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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4186 |
1exe ![]() ![]() |
cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 6.233 4.052 11.149 2 2H MET 1 2H MET 1 4.991 3.173 10.393 3 3H MET 1 3H MET 1 4.890 3.539 12.049 4 HA MET 1 HA MET 1 4.713 5.898 11.549 5 1HB MET 1 2HB MET 1 5.562 4.751 8.980 6 2HB MET 1 1HB MET 1 4.290 5.961 8.816 7 1HG MET 1 2HG MET 1 5.632 7.667 9.592 8 2HG MET 1 1HG MET 1 6.564 6.598 10.639 9 1HE MET 1 1HE MET 1 7.072 8.584 7.112 10 2HE MET 1 2HE MET 1 5.547 7.765 7.439 11 3HE MET 1 3HE MET 1 6.626 7.138 6.196 12 H ASN 2 H ASN 2 2.587 6.815 10.268 13 HA ASN 2 HA ASN 2 0.525 4.909 9.638 14 1HB ASN 2 2HB ASN 2 1.108 4.929 12.269 15 2HB ASN 2 1HB ASN 2 -0.074 6.237 12.226 16 1HD2 ASN 2 1HD2 ASN 2 -0.104 3.179 13.083 17 2HD2 ASN 2 2HD2 ASN 2 -1.562 2.633 12.407 18 H LYS 3 H LYS 3 -1.757 6.212 10.315 19 HA LYS 3 HA LYS 3 -2.059 8.277 8.426 20 1HB LYS 3 2HB LYS 3 -3.623 6.863 10.237 21 2HB LYS 3 1HB LYS 3 -3.775 8.527 10.800 22 1HG LYS 3 2HG LYS 3 -4.945 9.184 8.950 23 2HG LYS 3 1HG LYS 3 -3.988 8.177 7.867 24 1HD LYS 3 2HD LYS 3 -5.239 6.206 8.457 25 2HD LYS 3 1HD LYS 3 -6.038 7.040 9.786 26 1HE LYS 3 2HE LYS 3 -6.363 8.108 6.977 27 2HE LYS 3 1HE LYS 3 -7.355 6.740 7.522 28 1HZ LYS 3 1HZ LYS 3 -8.111 7.973 9.383 29 2HZ LYS 3 2HZ LYS 3 -8.304 8.984 8.031 30 3HZ LYS 3 3HZ LYS 3 -7.008 9.229 9.102 31 H THR 4 H THR 4 -0.408 8.468 11.435 32 HA THR 4 HA THR 4 -0.600 11.469 11.413 33 HB THR 4 HB THR 4 -0.138 9.429 13.612 34 HG1 THR 4 HG1 THR 4 -2.275 9.757 13.193 35 1HG2 THR 4 1HG2 THR 4 1.352 11.202 14.158 36 2HG2 THR 4 2HG2 THR 4 -0.107 11.520 15.096 37 3HG2 THR 4 3HG2 THR 4 0.207 12.431 13.619 38 H GLU 5 H GLU 5 1.574 8.694 11.911 39 HA GLU 5 HA GLU 5 3.995 10.196 12.118 40 1HB GLU 5 2HB GLU 5 3.172 7.547 12.211 41 2HB GLU 5 1HB GLU 5 4.196 7.606 10.780 42 1HG GLU 5 2HG GLU 5 5.854 7.279 12.336 43 2HG GLU 5 1HG GLU 5 5.740 9.034 12.462 44 H LEU 6 H LEU 6 2.563 8.503 9.295 45 HA LEU 6 HA LEU 6 4.366 9.511 7.314 46 1HB LEU 6 2HB LEU 6 1.594 8.404 7.454 47 2HB LEU 6 1HB LEU 6 2.027 9.252 5.973 48 HG LEU 6 HG LEU 6 3.645 6.991 7.180 49 1HD1 LEU 6 1HD1 LEU 6 2.657 6.031 4.841 50 2HD1 LEU 6 2HD1 LEU 6 1.327 7.082 5.319 51 3HD1 LEU 6 3HD1 LEU 6 1.855 5.787 6.392 52 1HD2 LEU 6 1HD2 LEU 6 3.751 8.242 4.415 53 2HD2 LEU 6 2HD2 LEU 6 4.857 7.041 5.080 54 3HD2 LEU 6 3HD2 LEU 6 4.847 8.681 5.724 55 H ILE 7 H ILE 7 1.588 10.945 8.926 56 HA ILE 7 HA ILE 7 1.031 13.116 7.192 57 HB ILE 7 HB ILE 7 0.709 12.386 10.039 58 1HG1 ILE 7 2HG1 ILE 7 -1.009 13.660 7.914 59 2HG1 ILE 7 1HG1 ILE 7 -1.060 11.988 8.452 60 1HG2 ILE 7 1HG2 ILE 7 1.503 14.473 10.672 61 2HG2 ILE 7 2HG2 ILE 7 -0.192 14.850 10.377 62 3HG2 ILE 7 3HG2 ILE 7 1.019 15.227 9.155 63 1HD1 ILE 7 1HD1 ILE 7 -2.009 14.456 9.878 64 2HD1 ILE 7 2HD1 ILE 7 -1.536 13.037 10.808 65 3HD1 ILE 7 3HD1 ILE 7 -2.848 12.924 9.635 66 H LYS 8 H LYS 8 3.150 13.079 10.048 67 HA LYS 8 HA LYS 8 4.433 15.569 9.483 68 1HB LYS 8 2HB LYS 8 5.266 15.065 11.532 69 2HB LYS 8 1HB LYS 8 4.493 13.488 11.420 70 1HG LYS 8 2HG LYS 8 6.573 12.771 10.061 71 2HG LYS 8 1HG LYS 8 7.322 14.242 10.683 72 1HD LYS 8 2HD LYS 8 7.920 12.558 12.242 73 2HD LYS 8 1HD LYS 8 6.579 13.414 13.008 74 1HE LYS 8 2HE LYS 8 5.083 11.634 11.796 75 2HE LYS 8 1HE LYS 8 6.585 10.692 11.721 76 1HZ LYS 8 1HZ LYS 8 6.852 10.813 14.040 77 2HZ LYS 8 2HZ LYS 8 5.212 10.427 13.816 78 3HZ LYS 8 3HZ LYS 8 5.668 12.015 14.210 79 H ALA 9 H ALA 9 4.925 12.293 8.273 80 HA ALA 9 HA ALA 9 7.555 12.581 7.190 81 1HB ALA 9 1HB ALA 9 5.318 11.087 5.847 82 2HB ALA 9 2HB ALA 9 5.880 10.579 7.439 83 3HB ALA 9 3HB ALA 9 6.995 10.594 6.073 84 H ILE 10 H ILE 10 4.363 13.603 6.056 85 HA ILE 10 HA ILE 10 5.534 14.634 3.550 86 HB ILE 10 HB ILE 10 3.046 13.485 4.473 87 1HG1 ILE 10 2HG1 ILE 10 2.578 13.751 1.914 88 2HG1 ILE 10 1HG1 ILE 10 4.253 14.304 1.852 89 1HG2 ILE 10 1HG2 ILE 10 2.288 15.799 4.835 90 2HG2 ILE 10 2HG2 ILE 10 1.442 15.066 3.473 91 3HG2 ILE 10 3HG2 ILE 10 2.748 16.212 3.186 92 1HD1 ILE 10 1HD1 ILE 10 3.172 11.602 2.543 93 2HD1 ILE 10 2HD1 ILE 10 4.658 12.132 3.332 94 3HD1 ILE 10 3HD1 ILE 10 4.582 12.030 1.574 95 H ALA 11 H ALA 11 4.017 15.515 6.612 96 HA ALA 11 HA ALA 11 3.735 18.345 6.154 97 1HB ALA 11 1HB ALA 11 4.519 17.372 8.839 98 2HB ALA 11 2HB ALA 11 3.133 16.553 8.119 99 3HB ALA 11 3HB ALA 11 3.102 18.299 8.353 100 H GLN 12 H GLN 12 6.468 16.283 6.877 101 HA GLN 12 HA GLN 12 8.209 18.622 7.393 102 1HB GLN 12 2HB GLN 12 9.823 16.955 8.061 103 2HB GLN 12 1HB GLN 12 8.270 16.395 8.677 104 1HG GLN 12 2HG GLN 12 8.051 15.018 6.550 105 2HG GLN 12 1HG GLN 12 9.732 15.424 6.210 106 1HE2 GLN 12 1HE2 GLN 12 10.387 13.154 6.493 107 2HE2 GLN 12 2HE2 GLN 12 10.461 12.457 8.039 108 H ASP 13 H ASP 13 7.668 16.046 4.987 109 HA ASP 13 HA ASP 13 9.794 16.885 3.201 110 1HB ASP 13 2HB ASP 13 7.230 15.297 3.006 111 2HB ASP 13 1HB ASP 13 8.157 15.664 1.553 112 H THR 14 H THR 14 6.632 17.982 4.044 113 HA THR 14 HA THR 14 6.363 19.789 1.721 114 HB THR 14 HB THR 14 4.218 20.333 3.055 115 HG1 THR 14 HG1 THR 14 4.003 19.490 4.900 116 1HG2 THR 14 1HG2 THR 14 3.202 18.755 1.831 117 2HG2 THR 14 2HG2 THR 14 4.030 17.460 2.683 118 3HG2 THR 14 3HG2 THR 14 4.816 18.260 1.325 119 H GLY 15 H GLY 15 5.694 20.336 5.173 120 1HA GLY 15 2HA GLY 15 6.308 22.128 6.574 121 2HA GLY 15 1HA GLY 15 7.846 22.135 5.709 122 H LEU 16 H LEU 16 5.126 22.521 3.684 123 HA LEU 16 HA LEU 16 5.892 25.293 3.041 124 1HB LEU 16 2HB LEU 16 3.463 23.766 2.068 125 2HB LEU 16 1HB LEU 16 4.314 25.070 1.246 126 HG LEU 16 HG LEU 16 6.305 23.205 1.606 127 1HD1 LEU 16 1HD1 LEU 16 4.381 21.670 2.350 128 2HD1 LEU 16 2HD1 LEU 16 5.448 21.052 1.097 129 3HD1 LEU 16 3HD1 LEU 16 3.875 21.696 0.670 130 1HD2 LEU 16 1HD2 LEU 16 6.357 23.197 -0.708 131 2HD2 LEU 16 2HD2 LEU 16 5.245 24.549 -0.485 132 3HD2 LEU 16 3HD2 LEU 16 4.619 22.941 -0.843 133 H THR 17 H THR 17 2.998 23.632 4.201 134 HA THR 17 HA THR 17 2.297 25.981 5.842 135 HB THR 17 HB THR 17 1.377 25.718 3.280 136 HG1 THR 17 HG1 THR 17 0.027 26.823 5.515 137 1HG2 THR 17 1HG2 THR 17 -1.041 25.068 3.527 138 2HG2 THR 17 2HG2 THR 17 -0.660 24.438 5.122 139 3HG2 THR 17 3HG2 THR 17 0.088 23.728 3.693 140 H GLN 18 H GLN 18 2.575 22.662 5.553 141 HA GLN 18 HA GLN 18 1.681 20.852 6.788 142 1HB GLN 18 2HB GLN 18 0.705 22.986 8.705 143 2HB GLN 18 1HB GLN 18 1.259 21.356 9.088 144 1HG GLN 18 2HG GLN 18 3.517 22.170 8.029 145 2HG GLN 18 1HG GLN 18 2.878 23.780 8.361 146 1HE2 GLN 18 1HE2 GLN 18 1.940 23.959 10.749 147 2HE2 GLN 18 2HE2 GLN 18 2.892 23.245 11.960 148 H VAL 19 H VAL 19 0.223 22.362 4.792 149 HA VAL 19 HA VAL 19 -2.174 23.142 4.560 150 HB VAL 19 HB VAL 19 -1.379 21.926 2.735 151 1HG1 VAL 19 1HG1 VAL 19 0.169 20.427 3.617 152 2HG1 VAL 19 2HG1 VAL 19 -1.054 19.351 2.947 153 3HG1 VAL 19 3HG1 VAL 19 -1.011 19.669 4.680 154 1HG2 VAL 19 1HG2 VAL 19 -3.148 19.690 3.028 155 2HG2 VAL 19 2HG2 VAL 19 -3.340 21.125 2.021 156 3HG2 VAL 19 3HG2 VAL 19 -3.919 21.130 3.682 157 H SER 20 H SER 20 -2.840 19.778 5.054 158 HA SER 20 HA SER 20 -4.342 20.374 7.528 159 1HB SER 20 2HB SER 20 -5.386 19.939 4.960 160 2HB SER 20 1HB SER 20 -5.608 18.416 5.799 161 HG SER 20 HG SER 20 -6.299 20.946 6.885 162 H VAL 21 H VAL 21 -1.723 19.033 6.740 163 HA VAL 21 HA VAL 21 -1.009 16.623 6.611 164 HB VAL 21 HB VAL 21 -0.112 16.599 8.974 165 1HG1 VAL 21 1HG1 VAL 21 0.166 19.068 7.257 166 2HG1 VAL 21 2HG1 VAL 21 1.190 17.633 7.237 167 3HG1 VAL 21 3HG1 VAL 21 1.217 18.717 8.628 168 1HG2 VAL 21 1HG2 VAL 21 -0.469 18.756 10.238 169 2HG2 VAL 21 2HG2 VAL 21 -1.889 17.715 10.161 170 3HG2 VAL 21 3HG2 VAL 21 -1.771 19.125 9.109 171 H SER 22 H SER 22 -3.406 17.486 8.960 172 HA SER 22 HA SER 22 -3.974 14.690 9.735 173 1HB SER 22 2HB SER 22 -4.149 16.790 11.183 174 2HB SER 22 1HB SER 22 -5.598 17.192 10.266 175 HG SER 22 HG SER 22 -5.167 15.248 12.181 176 H LYS 23 H LYS 23 -5.543 17.202 7.763 177 HA LYS 23 HA LYS 23 -7.759 15.437 7.061 178 1HB LYS 23 2HB LYS 23 -7.179 18.185 7.175 179 2HB LYS 23 1HB LYS 23 -7.462 17.832 5.470 180 1HG LYS 23 2HG LYS 23 -9.534 16.538 6.283 181 2HG LYS 23 1HG LYS 23 -9.299 17.382 7.813 182 1HD LYS 23 2HD LYS 23 -10.890 18.586 6.322 183 2HD LYS 23 1HD LYS 23 -9.456 19.548 6.680 184 1HE LYS 23 2HE LYS 23 -8.682 19.444 4.512 185 2HE LYS 23 1HE LYS 23 -9.323 17.809 4.256 186 1HZ LYS 23 1HZ LYS 23 -10.592 19.581 3.078 187 2HZ LYS 23 2HZ LYS 23 -11.027 20.219 4.591 188 3HZ LYS 23 3HZ LYS 23 -11.533 18.659 4.146 189 H MET 24 H MET 24 -4.652 16.396 5.575 190 HA MET 24 HA MET 24 -5.511 15.375 2.973 191 1HB MET 24 2HB MET 24 -2.731 15.446 2.922 192 2HB MET 24 1HB MET 24 -3.807 16.723 2.385 193 1HG MET 24 2HG MET 24 -3.316 18.057 4.170 194 2HG MET 24 1HG MET 24 -3.246 16.701 5.296 195 1HE MET 24 1HE MET 24 -1.941 14.914 4.971 196 2HE MET 24 2HE MET 24 -0.271 15.193 5.453 197 3HE MET 24 3HE MET 24 -0.637 14.744 3.790 198 H LEU 25 H LEU 25 -3.519 14.090 5.703 199 HA LEU 25 HA LEU 25 -3.045 11.597 4.234 200 1HB LEU 25 2HB LEU 25 -2.600 12.604 7.031 201 2HB LEU 25 1HB LEU 25 -2.297 10.920 6.619 202 HG LEU 25 HG LEU 25 -0.692 13.286 6.048 203 1HD1 LEU 25 1HD1 LEU 25 -0.086 10.359 5.560 204 2HD1 LEU 25 2HD1 LEU 25 -0.031 11.091 7.161 205 3HD1 LEU 25 3HD1 LEU 25 1.064 11.651 5.897 206 1HD2 LEU 25 1HD2 LEU 25 -1.721 13.065 3.792 207 2HD2 LEU 25 2HD2 LEU 25 -1.205 11.379 3.739 208 3HD2 LEU 25 3HD2 LEU 25 -0.003 12.668 3.771 209 H ALA 26 H ALA 26 -5.089 12.527 7.033 210 HA ALA 26 HA ALA 26 -6.366 10.022 7.408 211 1HB ALA 26 1HB ALA 26 -6.529 12.106 8.829 212 2HB ALA 26 2HB ALA 26 -8.090 11.354 8.503 213 3HB ALA 26 3HB ALA 26 -7.599 12.791 7.607 214 H SER 27 H SER 27 -6.901 12.608 5.065 215 HA SER 27 HA SER 27 -9.253 11.273 3.902 216 1HB SER 27 2HB SER 27 -8.940 13.769 4.068 217 2HB SER 27 1HB SER 27 -7.623 13.626 2.905 218 HG SER 27 HG SER 27 -10.351 12.923 2.545 219 H PHE 28 H PHE 28 -5.786 11.577 3.334 220 HA PHE 28 HA PHE 28 -5.661 10.642 0.637 221 1HB PHE 28 2HB PHE 28 -3.611 11.373 1.340 222 2HB PHE 28 1HB PHE 28 -3.922 10.906 3.005 223 HD1 PHE 28 HD1 PHE 28 -3.062 8.886 3.897 224 HD2 PHE 28 HD2 PHE 28 -3.002 9.527 -0.350 225 HE1 PHE 28 HE1 PHE 28 -1.595 6.924 3.624 226 HE2 PHE 28 HE2 PHE 28 -1.536 7.559 -0.619 227 HZ PHE 28 HZ PHE 28 -0.830 6.253 1.360 228 H GLU 29 H GLU 29 -5.825 8.894 3.725 229 HA GLU 29 HA GLU 29 -5.689 6.279 2.434 230 1HB GLU 29 2HB GLU 29 -6.062 7.458 5.172 231 2HB GLU 29 1HB GLU 29 -6.455 5.756 4.909 232 1HG GLU 29 2HG GLU 29 -4.290 5.181 4.461 233 2HG GLU 29 1HG GLU 29 -3.929 6.734 3.730 234 H LYS 30 H LYS 30 -7.995 8.602 3.593 235 HA LYS 30 HA LYS 30 -10.350 6.938 3.315 236 1HB LYS 30 2HB LYS 30 -10.066 9.114 4.635 237 2HB LYS 30 1HB LYS 30 -10.132 9.949 3.081 238 1HG LYS 30 2HG LYS 30 -12.335 9.083 2.621 239 2HG LYS 30 1HG LYS 30 -12.270 8.033 4.038 240 1HD LYS 30 2HD LYS 30 -12.487 9.826 5.538 241 2HD LYS 30 1HD LYS 30 -11.951 11.011 4.346 242 1HE LYS 30 2HE LYS 30 -14.435 9.479 3.701 243 2HE LYS 30 1HE LYS 30 -14.549 10.735 4.951 244 1HZ LYS 30 1HZ LYS 30 -14.876 11.724 2.786 245 2HZ LYS 30 2HZ LYS 30 -13.415 11.065 2.222 246 3HZ LYS 30 3HZ LYS 30 -13.401 12.259 3.430 247 H ILE 31 H ILE 31 -8.325 8.824 1.129 248 HA ILE 31 HA ILE 31 -10.327 8.539 -1.056 249 HB ILE 31 HB ILE 31 -8.665 9.946 -2.277 250 1HG1 ILE 31 2HG1 ILE 31 -7.168 11.108 -0.316 251 2HG1 ILE 31 1HG1 ILE 31 -7.120 9.402 0.102 252 1HG2 ILE 31 1HG2 ILE 31 -9.021 11.974 -0.670 253 2HG2 ILE 31 2HG2 ILE 31 -9.971 10.818 0.264 254 3HG2 ILE 31 3HG2 ILE 31 -10.423 11.192 -1.400 255 1HD1 ILE 31 1HD1 ILE 31 -6.230 10.719 -2.445 256 2HD1 ILE 31 2HD1 ILE 31 -6.633 9.003 -2.408 257 3HD1 ILE 31 3HD1 ILE 31 -5.325 9.623 -1.401 258 H ILE 32 H ILE 32 -7.192 7.425 0.004 259 HA ILE 32 HA ILE 32 -6.391 6.065 -2.396 260 HB ILE 32 HB ILE 32 -5.856 5.589 0.568 261 1HG1 ILE 32 2HG1 ILE 32 -4.991 7.625 -0.984 262 2HG1 ILE 32 1HG1 ILE 32 -3.992 6.915 0.280 263 1HG2 ILE 32 1HG2 ILE 32 -3.871 4.222 -0.414 264 2HG2 ILE 32 2HG2 ILE 32 -4.863 4.111 -1.868 265 3HG2 ILE 32 3HG2 ILE 32 -5.460 3.459 -0.342 266 1HD1 ILE 32 1HD1 ILE 32 -2.901 7.206 -2.023 267 2HD1 ILE 32 2HD1 ILE 32 -3.951 5.896 -2.563 268 3HD1 ILE 32 3HD1 ILE 32 -2.767 5.609 -1.288 269 H THR 33 H THR 33 -7.876 4.911 0.603 270 HA THR 33 HA THR 33 -8.593 2.368 -0.462 271 HB THR 33 HB THR 33 -8.524 3.682 2.015 272 HG1 THR 33 HG1 THR 33 -8.184 1.682 2.445 273 1HG2 THR 33 1HG2 THR 33 -10.730 3.210 2.988 274 2HG2 THR 33 2HG2 THR 33 -11.322 2.688 1.411 275 3HG2 THR 33 3HG2 THR 33 -10.870 4.373 1.671 276 H GLU 34 H GLU 34 -10.247 5.477 -0.130 277 HA GLU 34 HA GLU 34 -12.837 4.517 -1.020 278 1HB GLU 34 2HB GLU 34 -11.481 7.151 -0.564 279 2HB GLU 34 1HB GLU 34 -13.087 7.098 -1.280 280 1HG GLU 34 2HG GLU 34 -12.346 5.738 1.338 281 2HG GLU 34 1HG GLU 34 -13.144 7.309 1.233 282 H THR 35 H THR 35 -10.006 5.949 -2.737 283 HA THR 35 HA THR 35 -11.477 6.443 -5.181 284 HB THR 35 HB THR 35 -8.539 5.910 -4.675 285 HG1 THR 35 HG1 THR 35 -8.928 7.857 -3.876 286 1HG2 THR 35 1HG2 THR 35 -8.234 6.749 -6.987 287 2HG2 THR 35 2HG2 THR 35 -9.981 6.889 -7.162 288 3HG2 THR 35 3HG2 THR 35 -9.239 5.301 -6.981 289 H VAL 36 H VAL 36 -9.164 3.807 -4.353 290 HA VAL 36 HA VAL 36 -9.692 2.168 -6.602 291 HB VAL 36 HB VAL 36 -8.122 1.985 -4.438 292 1HG1 VAL 36 1HG1 VAL 36 -8.899 0.179 -2.948 293 2HG1 VAL 36 2HG1 VAL 36 -10.454 0.168 -3.773 294 3HG1 VAL 36 3HG1 VAL 36 -9.952 1.588 -2.856 295 1HG2 VAL 36 1HG2 VAL 36 -9.252 -0.337 -6.009 296 2HG2 VAL 36 2HG2 VAL 36 -7.812 -0.443 -5.000 297 3HG2 VAL 36 3HG2 VAL 36 -7.826 0.619 -6.408 298 H ALA 37 H ALA 37 -11.423 2.694 -3.613 299 HA ALA 37 HA ALA 37 -13.475 0.710 -4.045 300 1HB ALA 37 1HB ALA 37 -12.950 3.076 -2.280 301 2HB ALA 37 2HB ALA 37 -13.115 1.381 -1.832 302 3HB ALA 37 3HB ALA 37 -14.541 2.324 -2.264 303 H LYS 38 H LYS 38 -12.916 4.018 -4.961 304 HA LYS 38 HA LYS 38 -15.656 4.604 -5.818 305 1HB LYS 38 2HB LYS 38 -13.396 6.067 -5.223 306 2HB LYS 38 1HB LYS 38 -13.361 6.078 -6.982 307 1HG LYS 38 2HG LYS 38 -14.633 7.998 -6.321 308 2HG LYS 38 1HG LYS 38 -15.794 6.810 -6.913 309 1HD LYS 38 2HD LYS 38 -16.579 7.820 -4.808 310 2HD LYS 38 1HD LYS 38 -16.255 6.102 -4.594 311 1HE LYS 38 2HE LYS 38 -14.808 6.603 -2.919 312 2HE LYS 38 1HE LYS 38 -13.820 7.534 -4.062 313 1HZ LYS 38 1HZ LYS 38 -16.222 8.496 -2.601 314 2HZ LYS 38 2HZ LYS 38 -15.424 9.375 -3.816 315 3HZ LYS 38 3HZ LYS 38 -14.622 9.009 -2.363 316 H GLY 39 H GLY 39 -12.772 3.173 -6.980 317 1HA GLY 39 2HA GLY 39 -12.946 1.547 -8.725 318 2HA GLY 39 1HA GLY 39 -14.164 2.558 -9.491 319 H ASP 40 H ASP 40 -11.221 3.935 -8.187 320 HA ASP 40 HA ASP 40 -10.398 4.529 -11.015 321 1HB ASP 40 2HB ASP 40 -10.723 6.085 -8.633 322 2HB ASP 40 1HB ASP 40 -9.018 6.123 -9.087 323 H LYS 41 H LYS 41 -8.160 4.274 -11.559 324 HA LYS 41 HA LYS 41 -6.839 2.040 -10.235 325 1HB LYS 41 2HB LYS 41 -6.573 3.722 -12.653 326 2HB LYS 41 1HB LYS 41 -5.050 3.083 -12.033 327 1HG LYS 41 2HG LYS 41 -6.066 0.803 -11.996 328 2HG LYS 41 1HG LYS 41 -7.523 1.472 -12.731 329 1HD LYS 41 2HD LYS 41 -6.570 1.147 -14.745 330 2HD LYS 41 1HD LYS 41 -5.402 2.402 -14.329 331 1HE LYS 41 2HE LYS 41 -4.305 0.314 -12.990 332 2HE LYS 41 1HE LYS 41 -5.068 -0.552 -14.338 333 1HZ LYS 41 1HZ LYS 41 -4.091 1.146 -15.838 334 2HZ LYS 41 2HZ LYS 41 -2.926 0.186 -15.058 335 3HZ LYS 41 3HZ LYS 41 -3.224 1.770 -14.521 336 H VAL 42 H VAL 42 -6.550 3.078 -8.079 337 HA VAL 42 HA VAL 42 -4.913 5.425 -7.710 338 HB VAL 42 HB VAL 42 -5.480 3.057 -5.893 339 1HG1 VAL 42 1HG1 VAL 42 -3.785 4.214 -4.792 340 2HG1 VAL 42 2HG1 VAL 42 -5.214 5.050 -4.183 341 3HG1 VAL 42 3HG1 VAL 42 -4.259 5.767 -5.481 342 1HG2 VAL 42 1HG2 VAL 42 -7.421 4.190 -5.180 343 2HG2 VAL 42 2HG2 VAL 42 -7.443 4.405 -6.929 344 3HG2 VAL 42 3HG2 VAL 42 -6.897 5.718 -5.886 345 H GLN 43 H GLN 43 -2.682 5.578 -7.458 346 HA GLN 43 HA GLN 43 -1.029 3.172 -7.130 347 1HB GLN 43 2HB GLN 43 0.060 3.343 -9.277 348 2HB GLN 43 1HB GLN 43 -1.675 3.348 -9.584 349 1HG GLN 43 2HG GLN 43 -1.254 6.002 -9.302 350 2HG GLN 43 1HG GLN 43 0.318 5.519 -9.933 351 1HE2 GLN 43 1HE2 GLN 43 0.313 5.845 -12.160 352 2HE2 GLN 43 2HE2 GLN 43 -0.967 5.445 -13.200 353 H LEU 44 H LEU 44 1.384 3.910 -7.259 354 HA LEU 44 HA LEU 44 1.619 6.716 -6.229 355 1HB LEU 44 2HB LEU 44 3.162 4.280 -5.285 356 2HB LEU 44 1HB LEU 44 3.135 5.878 -4.547 357 HG LEU 44 HG LEU 44 0.666 4.147 -4.820 358 1HD1 LEU 44 1HD1 LEU 44 1.940 4.558 -2.171 359 2HD1 LEU 44 2HD1 LEU 44 2.763 3.450 -3.253 360 3HD1 LEU 44 3HD1 LEU 44 1.088 3.156 -2.800 361 1HD2 LEU 44 1HD2 LEU 44 0.343 5.863 -2.700 362 2HD2 LEU 44 2HD2 LEU 44 -0.249 6.167 -4.333 363 3HD2 LEU 44 3HD2 LEU 44 1.294 6.844 -3.814 364 H THR 45 H THR 45 2.817 7.806 -7.714 365 HA THR 45 HA THR 45 4.268 8.123 -9.574 366 HB THR 45 HB THR 45 5.684 8.795 -7.855 367 HG1 THR 45 HG1 THR 45 6.853 7.943 -9.677 368 1HG2 THR 45 1HG2 THR 45 5.021 7.262 -6.118 369 2HG2 THR 45 2HG2 THR 45 6.772 7.153 -6.281 370 3HG2 THR 45 3HG2 THR 45 5.745 5.905 -6.973 371 H GLY 46 H GLY 46 6.328 5.460 -8.560 372 1HA GLY 46 2HA GLY 46 5.277 3.812 -10.794 373 2HA GLY 46 1HA GLY 46 6.983 4.246 -10.785 374 H PHE 47 H PHE 47 5.366 3.553 -7.712 375 HA PHE 47 HA PHE 47 6.756 0.925 -7.755 376 1HB PHE 47 2HB PHE 47 7.630 1.296 -5.596 377 2HB PHE 47 1HB PHE 47 7.831 2.829 -6.417 378 HD1 PHE 47 HD1 PHE 47 6.349 1.132 -3.566 379 HD2 PHE 47 HD2 PHE 47 6.166 4.676 -5.968 380 HE1 PHE 47 HE1 PHE 47 5.162 2.303 -1.762 381 HE2 PHE 47 HE2 PHE 47 4.981 5.848 -4.164 382 HZ PHE 47 HZ PHE 47 4.465 4.668 -2.063 383 H LEU 48 H LEU 48 3.870 2.694 -6.689 384 HA LEU 48 HA LEU 48 2.707 -0.001 -6.083 385 1HB LEU 48 2HB LEU 48 2.488 2.628 -4.728 386 2HB LEU 48 1HB LEU 48 1.134 1.510 -4.618 387 HG LEU 48 HG LEU 48 3.970 1.118 -3.681 388 1HD1 LEU 48 1HD1 LEU 48 2.760 1.938 -1.889 389 2HD1 LEU 48 2HD1 LEU 48 2.464 0.211 -1.692 390 3HD1 LEU 48 3HD1 LEU 48 1.247 1.232 -2.457 391 1HD2 LEU 48 1HD2 LEU 48 1.931 -0.937 -4.468 392 2HD2 LEU 48 2HD2 LEU 48 2.949 -1.258 -3.064 393 3HD2 LEU 48 3HD2 LEU 48 3.685 -0.985 -4.643 394 H ASN 49 H ASN 49 0.626 -0.425 -6.780 395 HA ASN 49 HA ASN 49 -0.799 1.635 -8.381 396 1HB ASN 49 2HB ASN 49 0.995 -0.113 -9.537 397 2HB ASN 49 1HB ASN 49 -0.538 -0.960 -9.744 398 1HD2 ASN 49 1HD2 ASN 49 1.302 1.883 -10.706 399 2HD2 ASN 49 2HD2 ASN 49 0.197 2.434 -11.871 400 H ILE 50 H ILE 50 -2.224 1.240 -6.424 401 HA ILE 50 HA ILE 50 -3.530 -1.308 -6.017 402 HB ILE 50 HB ILE 50 -4.292 1.549 -5.324 403 1HG1 ILE 50 2HG1 ILE 50 -2.085 0.794 -4.451 404 2HG1 ILE 50 1HG1 ILE 50 -3.253 1.065 -3.160 405 1HG2 ILE 50 1HG2 ILE 50 -6.217 0.679 -4.548 406 2HG2 ILE 50 2HG2 ILE 50 -5.273 -0.262 -3.395 407 3HG2 ILE 50 3HG2 ILE 50 -5.698 -0.955 -4.960 408 1HD1 ILE 50 1HD1 ILE 50 -3.745 -1.358 -3.099 409 2HD1 ILE 50 2HD1 ILE 50 -2.035 -1.047 -2.800 410 3HD1 ILE 50 3HD1 ILE 50 -2.563 -1.625 -4.379 411 H LYS 51 H LYS 51 -5.128 -2.200 -7.274 412 HA LYS 51 HA LYS 51 -6.935 -0.386 -8.808 413 1HB LYS 51 2HB LYS 51 -5.830 -0.940 -10.706 414 2HB LYS 51 1HB LYS 51 -4.758 -1.997 -9.799 415 1HG LYS 51 2HG LYS 51 -5.815 -3.341 -11.480 416 2HG LYS 51 1HG LYS 51 -6.558 -3.780 -9.946 417 1HD LYS 51 2HD LYS 51 -8.586 -2.993 -10.579 418 2HD LYS 51 1HD LYS 51 -7.897 -1.531 -11.281 419 1HE LYS 51 2HE LYS 51 -7.326 -4.039 -12.767 420 2HE LYS 51 1HE LYS 51 -9.015 -3.493 -12.792 421 1HZ LYS 51 1HZ LYS 51 -8.245 -1.273 -13.385 422 2HZ LYS 51 2HZ LYS 51 -7.744 -2.411 -14.543 423 3HZ LYS 51 3HZ LYS 51 -6.638 -1.813 -13.400 424 HA PRO 52 HA PRO 52 -9.571 -3.496 -6.993 425 1HB PRO 52 2HB PRO 52 -11.939 -2.238 -7.437 426 2HB PRO 52 1HB PRO 52 -10.816 -1.743 -6.157 427 1HG PRO 52 2HG PRO 52 -11.436 -0.445 -8.705 428 2HG PRO 52 1HG PRO 52 -10.776 0.234 -7.220 429 1HD PRO 52 2HD PRO 52 -9.353 -0.449 -9.587 430 2HD PRO 52 1HD PRO 52 -8.685 0.147 -8.054 431 H VAL 53 H VAL 53 -10.643 -5.232 -7.840 432 HA VAL 53 HA VAL 53 -11.712 -5.021 -10.584 433 HB VAL 53 HB VAL 53 -10.547 -7.075 -11.215 434 1HG1 VAL 53 1HG1 VAL 53 -8.437 -5.374 -9.912 435 2HG1 VAL 53 2HG1 VAL 53 -9.450 -4.676 -11.175 436 3HG1 VAL 53 3HG1 VAL 53 -8.449 -6.085 -11.526 437 1HG2 VAL 53 1HG2 VAL 53 -9.504 -6.925 -8.378 438 2HG2 VAL 53 2HG2 VAL 53 -8.799 -7.959 -9.613 439 3HG2 VAL 53 3HG2 VAL 53 -10.459 -8.224 -9.084 440 H ALA 54 H ALA 54 -13.733 -5.566 -10.512 441 HA ALA 54 HA ALA 54 -15.258 -6.613 -8.484 442 1HB ALA 54 1HB ALA 54 -15.392 -6.503 -11.438 443 2HB ALA 54 2HB ALA 54 -16.550 -5.931 -10.237 444 3HB ALA 54 3HB ALA 54 -16.507 -7.638 -10.677 445 H ARG 55 H ARG 55 -14.990 -8.427 -7.332 446 HA ARG 55 HA ARG 55 -14.625 -11.023 -8.749 447 1HB ARG 55 2HB ARG 55 -12.558 -9.679 -7.505 448 2HB ARG 55 1HB ARG 55 -13.155 -10.707 -6.202 449 1HG ARG 55 2HG ARG 55 -12.947 -12.687 -7.640 450 2HG ARG 55 1HG ARG 55 -12.396 -11.674 -8.975 451 1HD ARG 55 2HD ARG 55 -10.309 -11.312 -8.018 452 2HD ARG 55 1HD ARG 55 -10.921 -11.510 -6.364 453 HE ARG 55 HE ARG 55 -10.414 -13.750 -8.272 454 1HH1 ARG 55 1HH1 ARG 55 -12.451 -13.373 -5.737 455 2HH1 ARG 55 2HH1 ARG 55 -11.681 -14.500 -4.670 456 1HH2 ARG 55 1HH2 ARG 55 -8.852 -14.843 -6.647 457 2HH2 ARG 55 2HH2 ARG 55 -9.643 -15.333 -5.186 458 H GLN 56 H GLN 56 -14.400 -12.359 -6.088 459 HA GLN 56 HA GLN 56 -16.545 -11.515 -4.380 460 1HB GLN 56 2HB GLN 56 -18.168 -13.314 -5.121 461 2HB GLN 56 1HB GLN 56 -17.982 -11.962 -6.232 462 1HG GLN 56 2HG GLN 56 -16.395 -13.282 -7.582 463 2HG GLN 56 1HG GLN 56 -16.555 -14.634 -6.459 464 1HE2 GLN 56 1HE2 GLN 56 -18.824 -12.454 -8.252 465 2HE2 GLN 56 2HE2 GLN 56 -19.847 -13.708 -8.764 466 H ALA 57 H ALA 57 -17.471 -13.656 -3.216 467 HA ALA 57 HA ALA 57 -15.625 -15.884 -2.900 468 1HB ALA 57 1HB ALA 57 -15.613 -13.488 -1.055 469 2HB ALA 57 2HB ALA 57 -14.244 -14.192 -1.916 470 3HB ALA 57 3HB ALA 57 -14.974 -15.056 -0.562 471 H ARG 58 H ARG 58 -16.607 -17.492 -1.461 472 HA ARG 58 HA ARG 58 -18.737 -16.796 0.369 473 1HB ARG 58 2HB ARG 58 -20.446 -16.676 -1.082 474 2HB ARG 58 1HB ARG 58 -19.320 -16.919 -2.412 475 1HG ARG 58 2HG ARG 58 -19.463 -19.410 -1.902 476 2HG ARG 58 1HG ARG 58 -20.814 -19.019 -0.848 477 1HD ARG 58 2HD ARG 58 -21.914 -19.519 -2.865 478 2HD ARG 58 1HD ARG 58 -21.705 -17.769 -3.031 479 HE ARG 58 HE ARG 58 -19.539 -19.534 -4.045 480 1HH1 ARG 58 1HH2 ARG 58 -22.442 -18.880 -5.350 481 2HH1 ARG 58 2HH2 ARG 58 -21.890 -17.866 -6.641 482 1HH2 ARG 58 1HH1 ARG 58 -18.677 -17.552 -5.376 483 2HH2 ARG 58 2HH1 ARG 58 -19.759 -17.115 -6.656 484 H LYS 59 H LYS 59 -19.412 -18.510 1.562 485 HA LYS 59 HA LYS 59 -19.959 -21.002 1.493 486 1HB LYS 59 2HB LYS 59 -18.144 -22.494 1.061 487 2HB LYS 59 1HB LYS 59 -18.194 -21.322 -0.245 488 1HG LYS 59 2HG LYS 59 -16.061 -20.725 0.200 489 2HG LYS 59 1HG LYS 59 -16.528 -20.258 1.835 490 1HD LYS 59 2HD LYS 59 -15.865 -22.270 2.751 491 2HD LYS 59 1HD LYS 59 -16.198 -23.172 1.271 492 1HE LYS 59 2HE LYS 59 -14.186 -21.523 0.417 493 2HE LYS 59 1HE LYS 59 -13.715 -21.800 2.106 494 1HZ LYS 59 1HZ LYS 59 -12.944 -23.561 0.545 495 2HZ LYS 59 2HZ LYS 59 -14.570 -23.957 0.253 496 3HZ LYS 59 3HZ LYS 59 -13.914 -24.141 1.810 497 H GLY 60 H GLY 60 -19.680 -18.934 3.368 498 1HA GLY 60 2HA GLY 60 -18.682 -20.492 5.676 499 2HA GLY 60 1HA GLY 60 -18.007 -18.876 5.445 500 H PHE 61 H PHE 61 -21.105 -20.547 5.634 501 HA PHE 61 HA PHE 61 -23.215 -19.168 5.824 502 1HB PHE 61 2HB PHE 61 -22.529 -21.209 7.388 503 2HB PHE 61 1HB PHE 61 -22.565 -19.969 8.614 504 HD1 PHE 61 HD1 PHE 61 -24.850 -18.682 6.451 505 HD2 PHE 61 HD2 PHE 61 -24.343 -22.093 9.008 506 HE1 PHE 61 HE1 PHE 61 -27.297 -18.904 6.636 507 HE2 PHE 61 HE2 PHE 61 -26.793 -22.317 9.196 508 HZ PHE 61 HZ PHE 61 -28.286 -20.726 8.005 509 H ASN 62 H ASN 62 -23.936 -18.166 8.499 510 HA ASN 62 HA ASN 62 -22.187 -16.230 9.566 511 1HB ASN 62 2HB ASN 62 -21.908 -15.095 7.608 512 2HB ASN 62 1HB ASN 62 -23.484 -15.576 6.985 513 1HD2 ASN 62 1HD2 ASN 62 -24.457 -13.547 6.544 514 2HD2 ASN 62 2HD2 ASN 62 -24.645 -12.314 7.696 515 HA PRO 63 HA PRO 63 -26.626 -14.642 10.519 516 1HB PRO 63 2HB PRO 63 -28.716 -16.004 9.372 517 2HB PRO 63 1HB PRO 63 -27.963 -14.568 8.648 518 1HG PRO 63 2HG PRO 63 -27.493 -17.454 8.046 519 2HG PRO 63 1HG PRO 63 -27.671 -16.088 6.931 520 1HD PRO 63 2HD PRO 63 -25.261 -17.094 7.546 521 2HD PRO 63 1HD PRO 63 -25.498 -15.356 7.267 522 H GLN 64 H GLN 64 -25.685 -17.955 10.343 523 HA GLN 64 HA GLN 64 -27.383 -18.569 12.737 524 1HB GLN 64 2HB GLN 64 -27.763 -19.839 10.577 525 2HB GLN 64 1HB GLN 64 -26.132 -20.484 10.746 526 1HG GLN 64 2HG GLN 64 -26.731 -21.908 12.418 527 2HG GLN 64 1HG GLN 64 -27.799 -20.723 13.171 528 1HE2 GLN 64 1HE2 GLN 64 -29.685 -22.054 13.342 529 2HE2 GLN 64 2HE2 GLN 64 -30.500 -22.676 11.989 530 H THR 65 H THR 65 -25.007 -20.916 12.131 531 HA THR 65 HA THR 65 -23.372 -19.894 14.394 532 HB THR 65 HB THR 65 -24.271 -22.179 14.483 533 HG1 THR 65 HG1 THR 65 -21.495 -22.228 13.918 534 1HG2 THR 65 1HG2 THR 65 -24.570 -23.097 12.418 535 2HG2 THR 65 2HG2 THR 65 -22.935 -23.707 12.671 536 3HG2 THR 65 3HG2 THR 65 -23.193 -22.240 11.727 537 H GLN 66 H GLN 66 -23.348 -19.389 11.194 538 HA GLN 66 HA GLN 66 -21.724 -18.783 9.625 539 1HB GLN 66 2HB GLN 66 -19.987 -18.703 12.125 540 2HB GLN 66 1HB GLN 66 -19.661 -17.864 10.610 541 1HG GLN 66 2HG GLN 66 -20.852 -16.119 11.387 542 2HG GLN 66 1HG GLN 66 -22.291 -17.136 11.326 543 1HE2 GLN 66 1HE2 GLN 66 -23.356 -16.971 13.303 544 2HE2 GLN 66 2HE2 GLN 66 -22.598 -16.984 14.822 545 H GLU 67 H GLU 67 -20.950 -20.263 8.240 546 HA GLU 67 HA GLU 67 -18.823 -21.736 7.896 547 1HB GLU 67 2HB GLU 67 -18.732 -22.496 10.198 548 2HB GLU 67 1HB GLU 67 -20.382 -23.120 10.107 549 1HG GLU 67 2HG GLU 67 -19.759 -24.969 8.928 550 2HG GLU 67 1HG GLU 67 -18.451 -24.126 8.097 551 H ALA 68 H ALA 68 -21.166 -21.023 6.537 552 HA ALA 68 HA ALA 68 -21.624 -22.984 4.663 553 1HB ALA 68 1HB ALA 68 -23.988 -23.679 5.731 554 2HB ALA 68 2HB ALA 68 -23.066 -23.370 7.203 555 3HB ALA 68 3HB ALA 68 -22.501 -24.574 6.043 556 H LEU 69 H LEU 69 -21.976 -21.241 3.255 557 HA LEU 69 HA LEU 69 -24.785 -20.408 3.083 558 1HB LEU 69 2HB LEU 69 -24.104 -17.965 2.812 559 2HB LEU 69 1HB LEU 69 -24.018 -18.593 4.447 560 HG LEU 69 HG LEU 69 -21.543 -19.054 3.981 561 1HD1 LEU 69 1HD1 LEU 69 -22.339 -17.484 1.552 562 2HD1 LEU 69 2HD1 LEU 69 -21.315 -18.913 1.653 563 3HD1 LEU 69 3HD1 LEU 69 -20.710 -17.349 2.200 564 1HD2 LEU 69 1HD2 LEU 69 -22.200 -16.127 3.746 565 2HD2 LEU 69 2HD2 LEU 69 -20.976 -16.902 4.744 566 3HD2 LEU 69 3HD2 LEU 69 -22.678 -17.019 5.186 567 H GLU 70 H GLU 70 -23.957 -18.294 1.031 568 HA GLU 70 HA GLU 70 -22.258 -19.571 -0.904 569 1HB GLU 70 2HB GLU 70 -24.907 -20.623 -0.562 570 2HB GLU 70 1HB GLU 70 -24.839 -19.846 -2.143 571 1HG GLU 70 2HG GLU 70 -23.256 -21.307 -2.951 572 2HG GLU 70 1HG GLU 70 -22.519 -21.550 -1.366 573 H ILE 71 H ILE 71 -22.007 -17.018 -0.509 574 HA ILE 71 HA ILE 71 -23.726 -15.524 -2.469 575 HB ILE 71 HB ILE 71 -22.534 -13.601 -0.954 576 1HG1 ILE 71 2HG1 ILE 71 -22.834 -14.353 1.437 577 2HG1 ILE 71 1HG1 ILE 71 -22.900 -16.005 0.838 578 1HG2 ILE 71 1HG2 ILE 71 -24.668 -13.299 0.033 579 2HG2 ILE 71 2HG2 ILE 71 -25.025 -15.024 -0.040 580 3HG2 ILE 71 3HG2 ILE 71 -24.980 -14.070 -1.522 581 1HD1 ILE 71 1HD1 ILE 71 -20.636 -14.706 -0.349 582 2HD1 ILE 71 2HD1 ILE 71 -20.648 -16.074 0.762 583 3HD1 ILE 71 3HD1 ILE 71 -20.588 -14.429 1.392 584 H ALA 72 H ALA 72 -21.813 -13.251 -2.491 585 HA ALA 72 HA ALA 72 -19.180 -14.166 -3.230 586 1HB ALA 72 1HB ALA 72 -19.846 -15.253 -5.118 587 2HB ALA 72 2HB ALA 72 -19.960 -13.638 -5.816 588 3HB ALA 72 3HB ALA 72 -21.399 -14.419 -5.162 589 HA PRO 73 HA PRO 73 -19.707 -9.609 -3.639 590 1HB PRO 73 2HB PRO 73 -19.853 -8.752 -1.041 591 2HB PRO 73 1HB PRO 73 -21.282 -9.277 -1.953 592 1HG PRO 73 2HG PRO 73 -19.997 -10.570 0.297 593 2HG PRO 73 1HG PRO 73 -21.523 -10.980 -0.497 594 1HD PRO 73 2HD PRO 73 -18.845 -12.157 -0.882 595 2HD PRO 73 1HD PRO 73 -20.444 -12.829 -1.275 596 H SER 74 H SER 74 -17.370 -9.591 -4.255 597 HA SER 74 HA SER 74 -15.624 -8.593 -2.111 598 1HB SER 74 2HB SER 74 -15.808 -11.235 -2.196 599 2HB SER 74 1HB SER 74 -14.661 -11.054 -3.519 600 HG SER 74 HG SER 74 -13.478 -11.207 -1.658 601 H VAL 75 H VAL 75 -15.235 -6.756 -3.481 602 HA VAL 75 HA VAL 75 -14.481 -6.894 -6.254 603 HB VAL 75 HB VAL 75 -15.255 -4.859 -5.069 604 1HG1 VAL 75 1HG1 VAL 75 -14.317 -4.108 -3.153 605 2HG1 VAL 75 2HG1 VAL 75 -12.681 -4.277 -3.789 606 3HG1 VAL 75 3HG1 VAL 75 -13.502 -5.670 -3.085 607 1HG2 VAL 75 1HG2 VAL 75 -12.392 -4.420 -5.946 608 2HG2 VAL 75 2HG2 VAL 75 -13.755 -3.311 -6.098 609 3HG2 VAL 75 3HG2 VAL 75 -13.686 -4.765 -7.094 610 H GLY 76 H GLY 76 -12.078 -6.249 -6.966 611 1HA GLY 76 2HA GLY 76 -10.228 -7.795 -5.168 612 2HA GLY 76 1HA GLY 76 -10.110 -7.827 -6.922 613 H VAL 77 H VAL 77 -9.688 -5.764 -4.075 614 HA VAL 77 HA VAL 77 -8.565 -3.532 -5.542 615 HB VAL 77 HB VAL 77 -8.325 -4.437 -2.647 616 1HG1 VAL 77 1HG1 VAL 77 -6.731 -2.586 -3.793 617 2HG1 VAL 77 2HG1 VAL 77 -7.306 -2.445 -2.132 618 3HG1 VAL 77 3HG1 VAL 77 -8.125 -1.572 -3.426 619 1HG2 VAL 77 1HG2 VAL 77 -10.648 -4.000 -3.603 620 2HG2 VAL 77 2HG2 VAL 77 -10.143 -2.326 -3.832 621 3HG2 VAL 77 3HG2 VAL 77 -10.204 -3.014 -2.210 622 H SER 78 H SER 78 -7.174 -4.985 -6.914 623 HA SER 78 HA SER 78 -4.954 -6.464 -5.928 624 1HB SER 78 2HB SER 78 -5.888 -5.233 -8.431 625 2HB SER 78 1HB SER 78 -4.136 -5.390 -8.339 626 HG SER 78 HG SER 78 -4.331 -7.547 -8.144 627 H VAL 79 H VAL 79 -2.662 -5.412 -7.001 628 HA VAL 79 HA VAL 79 -2.123 -2.657 -6.262 629 HB VAL 79 HB VAL 79 -2.514 -3.680 -4.041 630 1HG1 VAL 79 1HG1 VAL 79 -0.472 -5.370 -3.484 631 2HG1 VAL 79 2HG1 VAL 79 -0.713 -5.748 -5.188 632 3HG1 VAL 79 3HG1 VAL 79 -2.047 -5.924 -4.051 633 1HG2 VAL 79 1HG2 VAL 79 -0.605 -1.979 -4.520 634 2HG2 VAL 79 2HG2 VAL 79 0.472 -3.357 -4.293 635 3HG2 VAL 79 3HG2 VAL 79 -0.587 -2.840 -2.981 636 H LYS 80 H LYS 80 0.502 -2.488 -6.085 637 HA LYS 80 HA LYS 80 1.610 -4.444 -8.049 638 1HB LYS 80 2HB LYS 80 1.384 -1.544 -8.028 639 2HB LYS 80 1HB LYS 80 3.059 -2.050 -8.223 640 1HG LYS 80 2HG LYS 80 1.825 -3.784 -9.917 641 2HG LYS 80 1HG LYS 80 0.753 -2.392 -10.054 642 1HD LYS 80 2HD LYS 80 3.112 -1.112 -10.213 643 2HD LYS 80 1HD LYS 80 3.603 -2.674 -10.868 644 1HE LYS 80 2HE LYS 80 1.334 -2.384 -12.265 645 2HE LYS 80 1HE LYS 80 1.698 -0.668 -11.997 646 1HZ LYS 80 1HZ LYS 80 2.872 -1.363 -13.941 647 2HZ LYS 80 2HZ LYS 80 3.507 -2.724 -13.147 648 3HZ LYS 80 3HZ LYS 80 4.012 -1.165 -12.701 649 HA PRO 81 HA PRO 81 5.110 -4.676 -5.293 650 1HB PRO 81 2HB PRO 81 6.885 -5.610 -7.153 651 2HB PRO 81 1HB PRO 81 5.462 -6.548 -6.656 652 1HG PRO 81 2HG PRO 81 5.997 -5.314 -9.214 653 2HG PRO 81 1HG PRO 81 4.653 -6.367 -8.752 654 1HD PRO 81 2HD PRO 81 4.755 -3.399 -8.854 655 2HD PRO 81 1HD PRO 81 3.351 -4.489 -8.963 656 H GLY 82 H GLY 82 5.262 -2.076 -5.249 657 1HA GLY 82 2HA GLY 82 6.933 -0.683 -7.028 658 2HA GLY 82 1HA GLY 82 6.682 -0.218 -5.347 659 H GLU 83 H GLU 83 8.783 -1.839 -7.591 660 HA GLU 83 HA GLU 83 10.620 -3.038 -5.756 661 1HB GLU 83 2HB GLU 83 12.147 -2.932 -7.715 662 2HB GLU 83 1HB GLU 83 10.541 -3.495 -8.174 663 1HG GLU 83 2HG GLU 83 10.215 -0.816 -8.493 664 2HG GLU 83 1HG GLU 83 11.931 -0.969 -8.872 665 H SER 84 H SER 84 10.134 0.271 -6.840 666 HA SER 84 HA SER 84 12.600 1.475 -6.153 667 1HB SER 84 2HB SER 84 9.741 2.439 -5.779 668 2HB SER 84 1HB SER 84 11.158 3.484 -5.762 669 HG SER 84 HG SER 84 11.540 2.965 -7.889 670 H LEU 85 H LEU 85 10.027 0.173 -4.180 671 HA LEU 85 HA LEU 85 11.066 1.290 -1.658 672 1HB LEU 85 2HB LEU 85 8.667 1.037 -1.996 673 2HB LEU 85 1HB LEU 85 8.866 -0.658 -2.435 674 HG LEU 85 HG LEU 85 9.993 0.060 0.195 675 1HD1 LEU 85 1HD1 LEU 85 8.073 1.460 0.417 676 2HD1 LEU 85 2HD1 LEU 85 7.644 -0.055 1.210 677 3HD1 LEU 85 3HD1 LEU 85 7.039 0.295 -0.409 678 1HD2 LEU 85 1HD2 LEU 85 9.946 -2.227 -0.172 679 2HD2 LEU 85 2HD2 LEU 85 8.462 -2.148 -1.120 680 3HD2 LEU 85 3HD2 LEU 85 8.393 -2.025 0.638 681 H LYS 86 H LYS 86 11.157 -1.691 -3.536 682 HA LYS 86 HA LYS 86 12.408 -3.269 -1.420 683 1HB LYS 86 2HB LYS 86 11.065 -3.724 -3.827 684 2HB LYS 86 1HB LYS 86 12.729 -4.194 -4.174 685 1HG LYS 86 2HG LYS 86 12.709 -5.925 -2.650 686 2HG LYS 86 1HG LYS 86 11.541 -5.126 -1.598 687 1HD LYS 86 2HD LYS 86 9.716 -5.694 -3.019 688 2HD LYS 86 1HD LYS 86 10.792 -6.148 -4.342 689 1HE LYS 86 2HE LYS 86 11.720 -7.899 -2.581 690 2HE LYS 86 1HE LYS 86 10.119 -7.675 -1.846 691 1HZ LYS 86 1HZ LYS 86 10.033 -9.394 -3.540 692 2HZ LYS 86 2HZ LYS 86 10.652 -8.318 -4.700 693 3HZ LYS 86 3HZ LYS 86 9.117 -8.051 -4.023 694 H LYS 87 H LYS 87 13.412 -1.584 -4.341 695 HA LYS 87 HA LYS 87 16.188 -2.336 -4.192 696 1HB LYS 87 2HB LYS 87 15.117 -1.508 -6.250 697 2HB LYS 87 1HB LYS 87 14.727 0.017 -5.455 698 1HG LYS 87 2HG LYS 87 17.573 -0.640 -5.260 699 2HG LYS 87 1HG LYS 87 17.028 -0.505 -6.932 700 1HD LYS 87 2HD LYS 87 16.186 1.582 -4.945 701 2HD LYS 87 1HD LYS 87 17.808 1.651 -5.637 702 1HE LYS 87 2HE LYS 87 15.616 1.184 -7.588 703 2HE LYS 87 1HE LYS 87 15.660 2.793 -6.841 704 1HZ LYS 87 1HZ LYS 87 17.117 2.556 -8.836 705 2HZ LYS 87 2HZ LYS 87 18.049 1.434 -7.964 706 3HZ LYS 87 3HZ LYS 87 17.936 3.043 -7.432 707 H ALA 88 H ALA 88 14.159 0.265 -2.950 708 HA ALA 88 HA ALA 88 16.270 1.828 -1.757 709 1HB ALA 88 1HB ALA 88 13.943 2.607 -2.153 710 2HB ALA 88 2HB ALA 88 14.369 2.749 -0.451 711 3HB ALA 88 3HB ALA 88 13.353 1.414 -0.996 712 H ALA 89 H ALA 89 14.308 -0.964 -0.852 713 HA ALA 89 HA ALA 89 15.081 -1.228 1.879 714 1HB ALA 89 1HB ALA 89 14.816 -3.804 0.662 715 2HB ALA 89 2HB ALA 89 13.708 -2.712 -0.168 716 3HB ALA 89 3HB ALA 89 13.596 -2.918 1.577 717 H GLU 90 H GLU 90 16.649 -2.301 -1.120 718 HA GLU 90 HA GLU 90 18.816 -3.769 0.019 719 1HB GLU 90 2HB GLU 90 18.756 -1.925 -2.397 720 2HB GLU 90 1HB GLU 90 19.937 -3.201 -2.111 721 1HG GLU 90 2HG GLU 90 17.112 -4.068 -1.971 722 2HG GLU 90 1HG GLU 90 17.654 -3.548 -3.566 723 H GLY 91 H GLY 91 18.068 -0.382 -0.261 724 1HA GLY 91 2HA GLY 91 20.667 0.649 0.448 725 2HA GLY 91 1HA GLY 91 19.152 1.545 0.510 726 H LEU 92 H LEU 92 17.711 -0.073 2.457 727 HA LEU 92 HA LEU 92 18.788 1.028 4.854 728 1HB LEU 92 2HB LEU 92 16.870 0.162 5.808 729 2HB LEU 92 1HB LEU 92 16.420 0.094 4.115 730 HG LEU 92 HG LEU 92 17.304 -2.313 4.131 731 1HD1 LEU 92 1HD1 LEU 92 17.998 -1.538 6.785 732 2HD1 LEU 92 2HD1 LEU 92 18.184 -3.128 6.046 733 3HD1 LEU 92 3HD1 LEU 92 16.704 -2.729 6.917 734 1HD2 LEU 92 1HD2 LEU 92 14.940 -1.855 4.025 735 2HD2 LEU 92 2HD2 LEU 92 14.891 -1.445 5.739 736 3HD2 LEU 92 3HD2 LEU 92 15.175 -3.111 5.241 737 H LYS 93 H LYS 93 18.911 -2.327 3.672 738 HA LYS 93 HA LYS 93 21.478 -3.080 4.259 739 1HB LYS 93 2HB LYS 93 19.951 -2.545 6.726 740 2HB LYS 93 1HB LYS 93 20.700 -4.133 6.713 741 1HG LYS 93 2HG LYS 93 22.125 -1.493 6.246 742 2HG LYS 93 1HG LYS 93 22.245 -2.496 7.686 743 1HD LYS 93 2HD LYS 93 23.758 -3.873 6.724 744 2HD LYS 93 1HD LYS 93 22.834 -3.980 5.227 745 1HE LYS 93 2HE LYS 93 23.736 -1.400 5.079 746 2HE LYS 93 1HE LYS 93 25.089 -2.192 5.911 747 1HZ LYS 93 1HZ LYS 93 23.771 -3.166 3.430 748 2HZ LYS 93 2HZ LYS 93 25.045 -3.943 4.242 749 3HZ LYS 93 3HZ LYS 93 25.297 -2.431 3.509 750 H TYR 94 H TYR 94 19.358 -3.905 2.634 751 HA TYR 94 HA TYR 94 17.789 -6.098 3.175 752 1HB TYR 94 2HB TYR 94 17.980 -4.907 1.059 753 2HB TYR 94 1HB TYR 94 19.609 -5.518 0.825 754 HD1 TYR 94 HD1 TYR 94 16.045 -6.728 1.245 755 HD2 TYR 94 HD2 TYR 94 19.940 -7.465 -0.393 756 HE1 TYR 94 HE1 TYR 94 15.165 -8.658 -0.041 757 HE2 TYR 94 HE2 TYR 94 19.062 -9.386 -1.660 758 HH TYR 94 HH TYR 94 15.820 -9.890 -2.195 759 H GLU 95 H GLU 95 21.220 -6.390 2.203 760 HA GLU 95 HA GLU 95 21.413 -9.210 2.591 761 1HB GLU 95 2HB GLU 95 23.589 -7.139 2.901 762 2HB GLU 95 1HB GLU 95 23.789 -8.829 2.441 763 1HG GLU 95 2HG GLU 95 23.635 -8.160 0.292 764 2HG GLU 95 1HG GLU 95 21.930 -7.830 0.602 765 H ASP 96 H ASP 96 22.021 -6.496 4.805 766 HA ASP 96 HA ASP 96 23.166 -7.878 6.980 767 1HB ASP 96 2HB ASP 96 22.177 -5.351 6.412 768 2HB ASP 96 1HB ASP 96 21.135 -5.897 7.722 769 H PHE 97 H PHE 97 19.821 -7.763 5.870 770 HA PHE 97 HA PHE 97 18.776 -9.127 8.262 771 1HB PHE 97 2HB PHE 97 17.762 -8.191 5.590 772 2HB PHE 97 1HB PHE 97 16.779 -9.300 6.546 773 HD1 PHE 97 HD1 PHE 97 18.893 -6.255 7.170 774 HD2 PHE 97 HD2 PHE 97 15.191 -8.302 7.913 775 HE1 PHE 97 HE1 PHE 97 18.135 -4.369 8.591 776 HE2 PHE 97 HE2 PHE 97 14.433 -6.416 9.333 777 HZ PHE 97 HZ PHE 97 15.905 -4.449 9.672 778 H ALA 98 H ALA 98 19.945 -9.935 5.062 779 HA ALA 98 HA ALA 98 18.992 -12.658 4.940 780 1HB ALA 98 1HB ALA 98 21.158 -12.568 3.327 781 2HB ALA 98 2HB ALA 98 20.887 -10.843 3.561 782 3HB ALA 98 3HB ALA 98 19.607 -11.855 2.887 783 H LYS 99 H LYS 99 21.649 -11.122 6.591 784 HA LYS 99 HA LYS 99 22.851 -13.803 7.190 785 1HB LYS 99 2HB LYS 99 23.876 -11.034 6.757 786 2HB LYS 99 1HB LYS 99 24.742 -12.036 7.923 787 1HG LYS 99 2HG LYS 99 25.091 -13.769 6.263 788 2HG LYS 99 1HG LYS 99 24.076 -12.915 5.100 789 1HD LYS 99 2HD LYS 99 26.390 -11.430 6.264 790 2HD LYS 99 1HD LYS 99 26.738 -12.677 5.066 791 1HE LYS 99 2HE LYS 99 25.755 -11.494 3.353 792 2HE LYS 99 1HE LYS 99 24.520 -10.789 4.417 793 1HZ LYS 99 1HZ LYS 99 27.411 -10.103 4.503 794 2HZ LYS 99 2HZ LYS 99 26.172 -9.385 5.418 795 3HZ LYS 99 3HZ LYS 99 26.228 -9.161 3.735 796 1H MET 1 1H MET 1 -6.737 7.342 -10.226 797 2H MET 1 2H MET 1 -5.736 6.265 -9.374 798 3H MET 1 3H MET 1 -5.316 6.757 -10.945 799 HA MET 1 HA MET 1 -5.182 9.098 -10.061 800 1HB MET 1 2HB MET 1 -6.012 7.459 -7.754 801 2HB MET 1 1HB MET 1 -4.712 8.594 -7.395 802 1HG MET 1 2HG MET 1 -6.015 10.463 -7.943 803 2HG MET 1 1HG MET 1 -7.134 9.515 -8.923 804 1HE MET 1 1HE MET 1 -5.608 10.037 -5.500 805 2HE MET 1 2HE MET 1 -5.787 8.286 -5.439 806 3HE MET 1 3HE MET 1 -6.739 9.299 -4.358 807 H ASN 2 H ASN 2 -3.044 9.597 -8.540 808 HA ASN 2 HA ASN 2 -1.035 7.563 -8.374 809 1HB ASN 2 2HB ASN 2 0.330 8.340 -10.344 810 2HB ASN 2 1HB ASN 2 -1.186 7.563 -10.793 811 1HD2 ASN 2 1HD2 ASN 2 -2.013 8.695 -12.560 812 2HD2 ASN 2 2HD2 ASN 2 -2.094 10.387 -12.675 813 H LYS 3 H LYS 3 1.300 8.815 -8.550 814 HA LYS 3 HA LYS 3 1.524 10.469 -6.307 815 1HB LYS 3 2HB LYS 3 3.144 9.582 -8.516 816 2HB LYS 3 1HB LYS 3 3.501 11.278 -8.191 817 1HG LYS 3 2HG LYS 3 3.337 10.139 -5.646 818 2HG LYS 3 1HG LYS 3 4.163 8.912 -6.603 819 1HD LYS 3 2HD LYS 3 5.539 11.011 -7.482 820 2HD LYS 3 1HD LYS 3 5.023 11.704 -5.947 821 1HE LYS 3 2HE LYS 3 6.558 10.462 -4.802 822 2HE LYS 3 1HE LYS 3 6.005 8.973 -5.583 823 1HZ LYS 3 1HZ LYS 3 7.179 9.946 -7.645 824 2HZ LYS 3 2HZ LYS 3 8.128 9.232 -6.431 825 3HZ LYS 3 3HZ LYS 3 8.003 10.923 -6.530 826 H THR 4 H THR 4 0.213 11.332 -9.390 827 HA THR 4 HA THR 4 0.457 14.251 -8.767 828 HB THR 4 HB THR 4 -0.058 12.616 -11.258 829 HG1 THR 4 HG1 THR 4 2.084 13.098 -10.642 830 1HG2 THR 4 1HG2 THR 4 -0.181 15.013 -12.324 831 2HG2 THR 4 2HG2 THR 4 -0.718 15.496 -10.715 832 3HG2 THR 4 3HG2 THR 4 -1.635 14.298 -11.628 833 H GLU 5 H GLU 5 -1.913 11.949 -10.112 834 HA GLU 5 HA GLU 5 -4.264 13.444 -9.773 835 1HB GLU 5 2HB GLU 5 -3.483 10.822 -10.419 836 2HB GLU 5 1HB GLU 5 -4.581 10.640 -9.055 837 1HG GLU 5 2HG GLU 5 -6.390 11.341 -10.248 838 2HG GLU 5 1HG GLU 5 -5.464 12.574 -11.106 839 H LEU 6 H LEU 6 -2.628 11.283 -7.454 840 HA LEU 6 HA LEU 6 -4.408 11.621 -5.264 841 1HB LEU 6 2HB LEU 6 -1.442 11.086 -5.517 842 2HB LEU 6 1HB LEU 6 -2.261 11.079 -3.956 843 HG LEU 6 HG LEU 6 -3.546 9.507 -6.129 844 1HD1 LEU 6 1HD1 LEU 6 -0.790 9.186 -5.667 845 2HD1 LEU 6 2HD1 LEU 6 -1.862 8.050 -6.484 846 3HD1 LEU 6 3HD1 LEU 6 -1.563 7.890 -4.754 847 1HD2 LEU 6 1HD2 LEU 6 -2.923 8.801 -3.249 848 2HD2 LEU 6 2HD2 LEU 6 -4.152 8.085 -4.290 849 3HD2 LEU 6 3HD2 LEU 6 -4.338 9.743 -3.719 850 H ILE 7 H ILE 7 -1.807 13.749 -6.484 851 HA ILE 7 HA ILE 7 -1.658 15.447 -4.171 852 HB ILE 7 HB ILE 7 -0.413 16.895 -5.509 853 1HG1 ILE 7 2HG1 ILE 7 -0.796 16.792 -8.137 854 2HG1 ILE 7 1HG1 ILE 7 -2.399 16.271 -7.641 855 1HG2 ILE 7 1HG2 ILE 7 0.772 15.563 -7.292 856 2HG2 ILE 7 2HG2 ILE 7 -0.338 14.246 -6.936 857 3HG2 ILE 7 3HG2 ILE 7 0.752 14.838 -5.690 858 1HD1 ILE 7 1HD1 ILE 7 -2.187 18.321 -5.970 859 2HD1 ILE 7 2HD1 ILE 7 -2.707 18.565 -7.637 860 3HD1 ILE 7 3HD1 ILE 7 -1.035 18.889 -7.178 861 H LYS 8 H LYS 8 -3.730 15.380 -7.011 862 HA LYS 8 HA LYS 8 -5.282 17.711 -6.287 863 1HB LYS 8 2HB LYS 8 -5.876 17.319 -8.443 864 2HB LYS 8 1HB LYS 8 -5.074 15.752 -8.393 865 1HG LYS 8 2HG LYS 8 -7.105 14.740 -7.421 866 2HG LYS 8 1HG LYS 8 -7.910 16.309 -7.469 867 1HD LYS 8 2HD LYS 8 -8.654 15.346 -9.459 868 2HD LYS 8 1HD LYS 8 -7.246 16.255 -10.012 869 1HE LYS 8 2HE LYS 8 -5.954 14.340 -10.308 870 2HE LYS 8 1HE LYS 8 -6.859 13.419 -9.089 871 1HZ LYS 8 1HZ LYS 8 -8.155 14.417 -11.557 872 2HZ LYS 8 2HZ LYS 8 -8.690 13.198 -10.502 873 3HZ LYS 8 3HZ LYS 8 -7.366 12.918 -11.527 874 H ALA 9 H ALA 9 -5.390 14.268 -5.558 875 HA ALA 9 HA ALA 9 -8.013 14.049 -4.465 876 1HB ALA 9 1HB ALA 9 -6.168 12.303 -4.962 877 2HB ALA 9 2HB ALA 9 -7.158 12.046 -3.526 878 3HB ALA 9 3HB ALA 9 -5.534 12.717 -3.370 879 H ILE 10 H ILE 10 -4.945 15.192 -3.055 880 HA ILE 10 HA ILE 10 -6.300 15.786 -0.489 881 HB ILE 10 HB ILE 10 -3.555 15.390 -1.563 882 1HG1 ILE 10 2HG1 ILE 10 -3.170 14.498 0.703 883 2HG1 ILE 10 1HG1 ILE 10 -4.750 15.094 1.208 884 1HG2 ILE 10 1HG2 ILE 10 -3.315 17.743 -0.994 885 2HG2 ILE 10 2HG2 ILE 10 -2.493 16.775 0.229 886 3HG2 ILE 10 3HG2 ILE 10 -4.072 17.476 0.576 887 1HD1 ILE 10 1HD1 ILE 10 -4.910 12.716 0.649 888 2HD1 ILE 10 2HD1 ILE 10 -4.224 13.025 -0.946 889 3HD1 ILE 10 3HD1 ILE 10 -5.815 13.664 -0.532 890 H ALA 11 H ALA 11 -5.005 17.251 -3.408 891 HA ALA 11 HA ALA 11 -5.089 19.971 -2.445 892 1HB ALA 11 1HB ALA 11 -4.853 20.447 -4.849 893 2HB ALA 11 2HB ALA 11 -5.410 18.826 -5.246 894 3HB ALA 11 3HB ALA 11 -3.855 19.051 -4.448 895 H GLN 12 H GLN 12 -7.501 17.654 -3.191 896 HA GLN 12 HA GLN 12 -9.556 19.795 -3.490 897 1HB GLN 12 2HB GLN 12 -10.804 18.236 -4.800 898 2HB GLN 12 1HB GLN 12 -9.137 18.008 -5.322 899 1HG GLN 12 2HG GLN 12 -8.936 16.099 -3.728 900 2HG GLN 12 1HG GLN 12 -10.638 16.298 -3.316 901 1HE2 GLN 12 1HE2 GLN 12 -12.145 15.260 -4.661 902 2HE2 GLN 12 2HE2 GLN 12 -11.764 14.549 -6.155 903 H ASP 13 H ASP 13 -8.798 16.696 -1.857 904 HA ASP 13 HA ASP 13 -11.140 16.808 -0.107 905 1HB ASP 13 2HB ASP 13 -8.468 15.363 -0.087 906 2HB ASP 13 1HB ASP 13 -9.660 15.143 1.191 907 H THR 14 H THR 14 -7.940 18.063 -0.269 908 HA THR 14 HA THR 14 -8.197 19.439 2.367 909 HB THR 14 HB THR 14 -5.545 19.399 1.155 910 HG1 THR 14 HG1 THR 14 -6.781 16.876 1.536 911 1HG2 THR 14 1HG2 THR 14 -5.947 17.573 3.359 912 2HG2 THR 14 2HG2 THR 14 -6.706 19.134 3.670 913 3HG2 THR 14 3HG2 THR 14 -4.986 19.047 3.286 914 H GLY 15 H GLY 15 -6.034 20.183 -0.345 915 1HA GLY 15 2HA GLY 15 -6.084 21.899 -1.960 916 2HA GLY 15 1HA GLY 15 -7.722 22.284 -1.441 917 H LEU 16 H LEU 16 -6.838 22.509 1.355 918 HA LEU 16 HA LEU 16 -6.748 24.966 2.210 919 1HB LEU 16 2HB LEU 16 -4.356 23.150 2.606 920 2HB LEU 16 1HB LEU 16 -4.782 24.504 3.653 921 HG LEU 16 HG LEU 16 -7.127 23.240 3.648 922 1HD1 LEU 16 1HD1 LEU 16 -7.071 21.098 2.973 923 2HD1 LEU 16 2HD1 LEU 16 -5.612 20.790 3.899 924 3HD1 LEU 16 3HD1 LEU 16 -5.490 21.441 2.272 925 1HD2 LEU 16 1HD2 LEU 16 -5.290 21.864 5.470 926 2HD2 LEU 16 2HD2 LEU 16 -6.599 22.978 5.853 927 3HD2 LEU 16 3HD2 LEU 16 -5.004 23.602 5.432 928 H THR 17 H THR 17 -3.611 23.877 1.007 929 HA THR 17 HA THR 17 -3.217 26.499 -0.335 930 HB THR 17 HB THR 17 -2.261 25.918 2.146 931 HG1 THR 17 HG1 THR 17 -1.922 27.915 1.459 932 1HG2 THR 17 1HG2 THR 17 -0.904 24.047 1.416 933 2HG2 THR 17 2HG2 THR 17 0.156 25.373 1.874 934 3HG2 THR 17 3HG2 THR 17 -0.132 25.034 0.177 935 H GLN 18 H GLN 18 -3.385 23.265 -0.730 936 HA GLN 18 HA GLN 18 -2.442 21.754 -2.275 937 1HB GLN 18 2HB GLN 18 -1.156 24.195 -3.535 938 2HB GLN 18 1HB GLN 18 -1.712 22.728 -4.338 939 1HG GLN 18 2HG GLN 18 -4.063 23.348 -3.610 940 2HG GLN 18 1HG GLN 18 -3.412 24.910 -3.112 941 1HE2 GLN 18 1HE2 GLN 18 -3.147 22.767 -6.019 942 2HE2 GLN 18 2HE2 GLN 18 -3.325 24.030 -7.139 943 H VAL 19 H VAL 19 -1.154 22.843 0.171 944 HA VAL 19 HA VAL 19 1.244 23.418 0.765 945 HB VAL 19 HB VAL 19 0.097 21.897 2.201 946 1HG1 VAL 19 1HG1 VAL 19 -0.044 20.239 -0.186 947 2HG1 VAL 19 2HG1 VAL 19 -1.064 20.223 1.248 948 3HG1 VAL 19 3HG1 VAL 19 0.442 19.306 1.230 949 1HG2 VAL 19 1HG2 VAL 19 2.647 20.496 1.343 950 2HG2 VAL 19 2HG2 VAL 19 1.803 20.234 2.859 951 3HG2 VAL 19 3HG2 VAL 19 2.533 21.799 2.521 952 H SER 20 H SER 20 1.773 20.178 -0.182 953 HA SER 20 HA SER 20 3.541 20.968 -2.391 954 1HB SER 20 2HB SER 20 4.119 19.775 0.228 955 2HB SER 20 1HB SER 20 4.717 18.797 -1.099 956 HG SER 20 HG SER 20 6.271 20.317 -0.580 957 H VAL 21 H VAL 21 0.733 19.783 -1.945 958 HA VAL 21 HA VAL 21 0.159 17.215 -2.193 959 HB VAL 21 HB VAL 21 -1.327 17.800 -4.106 960 1HG1 VAL 21 1HG1 VAL 21 -1.217 20.189 -2.293 961 2HG1 VAL 21 2HG1 VAL 21 -1.614 18.601 -1.640 962 3HG1 VAL 21 3HG1 VAL 21 -2.627 19.318 -2.892 963 1HG2 VAL 21 1HG2 VAL 21 0.421 20.270 -4.158 964 2HG2 VAL 21 2HG2 VAL 21 -1.162 20.196 -4.931 965 3HG2 VAL 21 3HG2 VAL 21 0.135 19.133 -5.475 966 H SER 22 H SER 22 1.989 18.998 -4.543 967 HA SER 22 HA SER 22 2.569 16.619 -6.216 968 1HB SER 22 2HB SER 22 3.196 19.555 -6.203 969 2HB SER 22 1HB SER 22 4.197 18.488 -7.182 970 HG SER 22 HG SER 22 1.631 19.334 -7.560 971 H LYS 23 H LYS 23 4.162 18.639 -3.799 972 HA LYS 23 HA LYS 23 6.681 17.175 -3.984 973 1HB LYS 23 2HB LYS 23 5.598 19.611 -2.816 974 2HB LYS 23 1HB LYS 23 6.737 18.796 -1.744 975 1HG LYS 23 2HG LYS 23 8.497 18.967 -3.289 976 2HG LYS 23 1HG LYS 23 7.402 19.202 -4.652 977 1HD LYS 23 2HD LYS 23 7.871 21.189 -2.407 978 2HD LYS 23 1HD LYS 23 8.509 21.322 -4.046 979 1HE LYS 23 2HE LYS 23 5.834 20.954 -4.549 980 2HE LYS 23 1HE LYS 23 5.790 21.897 -3.046 981 1HZ LYS 23 1HZ LYS 23 5.977 23.368 -4.954 982 2HZ LYS 23 2HZ LYS 23 7.377 22.558 -5.474 983 3HZ LYS 23 3HZ LYS 23 7.392 23.440 -4.021 984 H MET 24 H MET 24 3.902 17.289 -1.646 985 HA MET 24 HA MET 24 5.289 15.574 0.232 986 1HB MET 24 2HB MET 24 2.559 15.080 0.572 987 2HB MET 24 1HB MET 24 3.517 16.249 1.450 988 1HG MET 24 2HG MET 24 2.599 18.027 0.323 989 2HG MET 24 1HG MET 24 2.501 17.125 -1.184 990 1HE MET 24 1HE MET 24 1.329 15.474 -1.725 991 2HE MET 24 2HE MET 24 -0.352 15.128 -1.325 992 3HE MET 24 3HE MET 24 0.942 14.413 -0.364 993 H LEU 25 H LEU 25 3.121 14.968 -2.564 994 HA LEU 25 HA LEU 25 3.066 12.103 -2.088 995 1HB LEU 25 2HB LEU 25 2.307 14.022 -4.244 996 2HB LEU 25 1HB LEU 25 2.446 12.314 -4.674 997 HG LEU 25 HG LEU 25 0.937 13.147 -2.211 998 1HD1 LEU 25 1HD1 LEU 25 -0.091 14.436 -3.979 999 2HD1 LEU 25 2HD1 LEU 25 -1.136 13.065 -3.612 1000 3HD1 LEU 25 3HD1 LEU 25 -0.112 13.035 -5.048 1001 1HD2 LEU 25 1HD2 LEU 25 -0.343 11.008 -3.089 1002 2HD2 LEU 25 2HD2 LEU 25 1.190 10.830 -2.235 1003 3HD2 LEU 25 3HD2 LEU 25 1.146 10.742 -3.996 1004 H ALA 26 H ALA 26 5.139 14.312 -3.923 1005 HA ALA 26 HA ALA 26 6.705 12.319 -5.294 1006 1HB ALA 26 1HB ALA 26 6.820 14.647 -5.928 1007 2HB ALA 26 2HB ALA 26 8.398 14.240 -5.254 1008 3HB ALA 26 3HB ALA 26 7.227 15.131 -4.281 1009 H SER 27 H SER 27 6.795 13.819 -2.117 1010 HA SER 27 HA SER 27 9.221 12.413 -1.261 1011 1HB SER 27 2HB SER 27 9.077 13.869 0.516 1012 2HB SER 27 1HB SER 27 7.987 14.725 -0.568 1013 HG SER 27 HG SER 27 6.643 14.445 1.039 1014 H PHE 28 H PHE 28 5.752 11.955 -1.175 1015 HA PHE 28 HA PHE 28 5.454 10.087 0.939 1016 1HB PHE 28 2HB PHE 28 3.512 10.942 -0.086 1017 2HB PHE 28 1HB PHE 28 4.130 10.653 -1.703 1018 HD1 PHE 28 HD1 PHE 28 2.232 9.313 1.054 1019 HD2 PHE 28 HD2 PHE 28 4.265 8.242 -2.576 1020 HE1 PHE 28 HE1 PHE 28 0.943 7.226 0.954 1021 HE2 PHE 28 HE2 PHE 28 2.977 6.148 -2.666 1022 HZ PHE 28 HZ PHE 28 1.309 5.628 -0.897 1023 H GLU 29 H GLU 29 6.235 9.480 -2.519 1024 HA GLU 29 HA GLU 29 6.662 6.659 -2.043 1025 1HB GLU 29 2HB GLU 29 6.194 7.604 -4.276 1026 2HB GLU 29 1HB GLU 29 7.700 8.531 -4.197 1027 1HG GLU 29 2HG GLU 29 8.324 5.844 -3.519 1028 2HG GLU 29 1HG GLU 29 7.330 5.802 -4.968 1029 H LYS 30 H LYS 30 8.545 9.636 -1.947 1030 HA LYS 30 HA LYS 30 11.127 8.414 -1.631 1031 1HB LYS 30 2HB LYS 30 10.485 10.857 -2.150 1032 2HB LYS 30 1HB LYS 30 10.201 11.023 -0.415 1033 1HG LYS 30 2HG LYS 30 12.451 10.571 0.124 1034 2HG LYS 30 1HG LYS 30 12.781 9.874 -1.462 1035 1HD LYS 30 2HD LYS 30 13.029 11.929 -2.470 1036 2HD LYS 30 1HD LYS 30 11.868 12.712 -1.397 1037 1HE LYS 30 2HE LYS 30 13.987 13.599 -0.742 1038 2HE LYS 30 1HE LYS 30 13.648 12.341 0.464 1039 1HZ LYS 30 1HZ LYS 30 14.840 10.756 -0.978 1040 2HZ LYS 30 2HZ LYS 30 15.847 12.002 -0.411 1041 3HZ LYS 30 3HZ LYS 30 15.268 12.033 -2.008 1042 H ILE 31 H ILE 31 8.380 8.827 0.509 1043 HA ILE 31 HA ILE 31 10.119 8.023 2.787 1044 HB ILE 31 HB ILE 31 7.972 8.584 4.065 1045 1HG1 ILE 31 2HG1 ILE 31 7.150 10.673 2.370 1046 2HG1 ILE 31 1HG1 ILE 31 7.096 9.178 1.448 1047 1HG2 ILE 31 1HG2 ILE 31 9.838 9.945 4.424 1048 2HG2 ILE 31 2HG2 ILE 31 8.632 11.093 3.840 1049 3HG2 ILE 31 3HG2 ILE 31 9.872 10.481 2.744 1050 1HD1 ILE 31 1HD1 ILE 31 6.019 9.296 4.239 1051 2HD1 ILE 31 2HD1 ILE 31 5.660 8.124 2.971 1052 3HD1 ILE 31 3HD1 ILE 31 5.025 9.766 2.860 1053 H ILE 32 H ILE 32 7.509 7.033 0.765 1054 HA ILE 32 HA ILE 32 6.691 4.735 2.336 1055 HB ILE 32 HB ILE 32 6.524 5.330 -0.628 1056 1HG1 ILE 32 2HG1 ILE 32 5.299 6.675 1.479 1057 2HG1 ILE 32 1HG1 ILE 32 4.715 6.639 -0.182 1058 1HG2 ILE 32 1HG2 ILE 32 6.214 2.981 -0.294 1059 2HG2 ILE 32 2HG2 ILE 32 4.594 3.659 -0.452 1060 3HG2 ILE 32 3HG2 ILE 32 5.223 3.241 1.140 1061 1HD1 ILE 32 1HD1 ILE 32 3.234 4.821 0.283 1062 2HD1 ILE 32 2HD1 ILE 32 3.011 5.995 1.581 1063 3HD1 ILE 32 3HD1 ILE 32 3.970 4.544 1.861 1064 H THR 33 H THR 33 8.434 5.010 -0.707 1065 HA THR 33 HA THR 33 9.529 2.390 -0.575 1066 HB THR 33 HB THR 33 9.425 4.694 -2.299 1067 HG1 THR 33 HG1 THR 33 9.680 3.102 -3.843 1068 1HG2 THR 33 1HG2 THR 33 12.134 3.389 -2.045 1069 2HG2 THR 33 2HG2 THR 33 11.751 5.088 -1.763 1070 3HG2 THR 33 3HG2 THR 33 11.636 4.415 -3.390 1071 H GLU 34 H GLU 34 10.709 5.623 0.408 1072 HA GLU 34 HA GLU 34 13.354 4.661 1.128 1073 1HB GLU 34 2HB GLU 34 11.720 7.128 1.695 1074 2HB GLU 34 1HB GLU 34 13.412 6.972 2.151 1075 1HG GLU 34 2HG GLU 34 12.358 6.654 -0.687 1076 2HG GLU 34 1HG GLU 34 13.145 8.108 -0.072 1077 H THR 35 H THR 35 10.284 5.160 3.012 1078 HA THR 35 HA THR 35 11.538 4.899 5.594 1079 HB THR 35 HB THR 35 8.758 4.258 4.575 1080 HG1 THR 35 HG1 THR 35 9.901 6.278 6.205 1081 1HG2 THR 35 1HG2 THR 35 8.680 4.453 7.374 1082 2HG2 THR 35 2HG2 THR 35 10.052 3.401 7.034 1083 3HG2 THR 35 3HG2 THR 35 8.454 2.988 6.419 1084 H VAL 36 H VAL 36 9.917 2.422 3.560 1085 HA VAL 36 HA VAL 36 10.566 0.205 5.214 1086 HB VAL 36 HB VAL 36 9.685 0.763 2.510 1087 1HG1 VAL 36 1HG1 VAL 36 10.622 -1.341 1.466 1088 2HG1 VAL 36 2HG1 VAL 36 11.759 -1.428 2.807 1089 3HG1 VAL 36 3HG1 VAL 36 11.806 -0.057 1.700 1090 1HG2 VAL 36 1HG2 VAL 36 9.598 -1.877 3.976 1091 2HG2 VAL 36 2HG2 VAL 36 8.424 -1.229 2.831 1092 3HG2 VAL 36 3HG2 VAL 36 8.578 -0.514 4.436 1093 H ALA 37 H ALA 37 12.460 1.971 2.799 1094 HA ALA 37 HA ALA 37 14.829 0.272 3.171 1095 1HB ALA 37 1HB ALA 37 14.324 2.882 1.733 1096 2HB ALA 37 2HB ALA 37 14.238 1.271 1.029 1097 3HB ALA 37 3HB ALA 37 15.785 1.911 1.585 1098 H LYS 38 H LYS 38 13.372 2.664 4.994 1099 HA LYS 38 HA LYS 38 15.963 3.765 6.002 1100 1HB LYS 38 2HB LYS 38 13.437 4.889 5.478 1101 2HB LYS 38 1HB LYS 38 13.511 4.762 7.232 1102 1HG LYS 38 2HG LYS 38 14.433 6.913 6.548 1103 2HG LYS 38 1HG LYS 38 15.732 5.901 7.180 1104 1HD LYS 38 2HD LYS 38 16.785 6.478 5.241 1105 2HD LYS 38 1HD LYS 38 15.792 5.195 4.550 1106 1HE LYS 38 2HE LYS 38 15.150 6.888 3.119 1107 2HE LYS 38 1HE LYS 38 14.031 7.272 4.441 1108 1HZ LYS 38 1HZ LYS 38 16.798 8.331 4.212 1109 2HZ LYS 38 2HZ LYS 38 15.650 8.746 5.394 1110 3HZ LYS 38 3HZ LYS 38 15.405 9.194 3.774 1111 H GLY 39 H GLY 39 13.317 1.666 6.642 1112 1HA GLY 39 2HA GLY 39 13.627 -0.150 8.185 1113 2HA GLY 39 1HA GLY 39 14.608 0.918 9.185 1114 H ASP 40 H ASP 40 11.382 1.490 7.742 1115 HA ASP 40 HA ASP 40 10.277 1.558 10.531 1116 1HB ASP 40 2HB ASP 40 10.799 3.776 8.737 1117 2HB ASP 40 1HB ASP 40 9.078 3.675 9.108 1118 H LYS 41 H LYS 41 8.218 0.719 10.661 1119 HA LYS 41 HA LYS 41 7.081 -0.474 8.209 1120 1HB LYS 41 2HB LYS 41 6.299 -0.616 11.138 1121 2HB LYS 41 1HB LYS 41 5.666 -1.652 9.859 1122 1HG LYS 41 2HG LYS 41 8.141 -2.252 9.392 1123 2HG LYS 41 1HG LYS 41 8.465 -1.557 10.980 1124 1HD LYS 41 2HD LYS 41 6.255 -3.205 11.411 1125 2HD LYS 41 1HD LYS 41 7.263 -4.129 10.298 1126 1HE LYS 41 2HE LYS 41 8.605 -4.686 12.035 1127 2HE LYS 41 1HE LYS 41 9.003 -2.969 12.248 1128 1HZ LYS 41 1HZ LYS 41 6.554 -4.287 13.298 1129 2HZ LYS 41 2HZ LYS 41 7.011 -2.669 13.543 1130 3HZ LYS 41 3HZ LYS 41 7.926 -3.926 14.227 1131 H VAL 42 H VAL 42 6.336 1.579 7.235 1132 HA VAL 42 HA VAL 42 4.488 3.371 8.500 1133 HB VAL 42 HB VAL 42 5.306 2.618 5.708 1134 1HG1 VAL 42 1HG1 VAL 42 3.857 4.675 5.035 1135 2HG1 VAL 42 2HG1 VAL 42 2.949 4.302 6.500 1136 3HG1 VAL 42 3HG1 VAL 42 3.069 3.109 5.209 1137 1HG2 VAL 42 1HG2 VAL 42 6.351 4.722 5.699 1138 2HG2 VAL 42 2HG2 VAL 42 6.569 4.173 7.361 1139 3HG2 VAL 42 3HG2 VAL 42 5.308 5.345 6.978 1140 H GLN 43 H GLN 43 2.166 3.342 8.488 1141 HA GLN 43 HA GLN 43 0.878 0.890 7.375 1142 1HB GLN 43 2HB GLN 43 0.958 0.195 9.555 1143 2HB GLN 43 1HB GLN 43 1.228 1.827 10.161 1144 1HG GLN 43 2HG GLN 43 -1.048 2.328 10.214 1145 2HG GLN 43 1HG GLN 43 -1.455 1.066 9.052 1146 1HE2 GLN 43 1HE2 GLN 43 -2.613 -0.555 10.105 1147 2HE2 GLN 43 2HE2 GLN 43 -2.265 -1.152 11.655 1148 H LEU 44 H LEU 44 -0.620 1.713 5.935 1149 HA LEU 44 HA LEU 44 -1.859 4.360 6.395 1150 1HB LEU 44 2HB LEU 44 -2.265 2.234 4.265 1151 2HB LEU 44 1HB LEU 44 -2.902 3.868 4.197 1152 HG LEU 44 HG LEU 44 -0.015 2.991 4.045 1153 1HD1 LEU 44 1HD1 LEU 44 -1.934 4.529 2.285 1154 2HD1 LEU 44 2HD1 LEU 44 -1.013 3.085 1.884 1155 3HD1 LEU 44 3HD1 LEU 44 -0.192 4.628 2.053 1156 1HD2 LEU 44 1HD2 LEU 44 0.343 4.815 5.401 1157 2HD2 LEU 44 2HD2 LEU 44 -1.202 5.557 4.983 1158 3HD2 LEU 44 3HD2 LEU 44 0.161 5.671 3.869 1159 H THR 45 H THR 45 -3.499 4.356 7.915 1160 HA THR 45 HA THR 45 -5.245 3.465 9.276 1161 HB THR 45 HB THR 45 -6.609 4.577 7.779 1162 HG1 THR 45 HG1 THR 45 -8.261 3.277 7.530 1163 1HG2 THR 45 1HG2 THR 45 -5.577 2.725 5.615 1164 2HG2 THR 45 2HG2 THR 45 -5.171 4.419 5.840 1165 3HG2 THR 45 3HG2 THR 45 -6.803 3.963 5.362 1166 H GLY 46 H GLY 46 -6.107 1.322 6.603 1167 1HA GLY 46 2HA GLY 46 -4.988 -1.004 8.031 1168 2HA GLY 46 1HA GLY 46 -6.742 -0.947 7.862 1169 H PHE 47 H PHE 47 -4.813 0.422 5.267 1170 HA PHE 47 HA PHE 47 -5.466 -2.027 3.683 1171 1HB PHE 47 2HB PHE 47 -5.879 -0.599 1.787 1172 2HB PHE 47 1HB PHE 47 -6.849 -0.057 3.143 1173 HD1 PHE 47 HD1 PHE 47 -3.604 0.635 1.357 1174 HD2 PHE 47 HD2 PHE 47 -6.776 2.194 3.805 1175 HE1 PHE 47 HE1 PHE 47 -2.740 2.929 1.036 1176 HE2 PHE 47 HE2 PHE 47 -5.896 4.470 3.489 1177 HZ PHE 47 HZ PHE 47 -3.881 4.847 2.104 1178 H LEU 48 H LEU 48 -3.010 0.482 4.186 1179 HA LEU 48 HA LEU 48 -1.179 -1.195 2.524 1180 1HB LEU 48 2HB LEU 48 -1.730 1.657 2.732 1181 2HB LEU 48 1HB LEU 48 -0.014 1.293 2.805 1182 HG LEU 48 HG LEU 48 -1.626 1.478 0.499 1183 1HD1 LEU 48 1HD1 LEU 48 1.163 0.910 1.226 1184 2HD1 LEU 48 2HD1 LEU 48 0.515 2.006 0.006 1185 3HD1 LEU 48 3HD1 LEU 48 0.692 0.289 -0.355 1186 1HD2 LEU 48 1HD2 LEU 48 -0.641 -1.371 0.787 1187 2HD2 LEU 48 2HD2 LEU 48 -1.544 -0.676 -0.558 1188 3HD2 LEU 48 3HD2 LEU 48 -2.329 -0.903 1.002 1189 H ASN 49 H ASN 49 -0.529 -2.549 4.201 1190 HA ASN 49 HA ASN 49 0.520 -1.540 6.742 1191 1HB ASN 49 2HB ASN 49 -0.549 -3.876 5.753 1192 2HB ASN 49 1HB ASN 49 1.170 -4.270 5.762 1193 1HD2 ASN 49 1HD2 ASN 49 -0.968 -2.397 8.007 1194 2HD2 ASN 49 2HD2 ASN 49 -0.465 -3.222 9.402 1195 H ILE 50 H ILE 50 2.024 -0.098 5.060 1196 HA ILE 50 HA ILE 50 4.236 -1.227 3.724 1197 HB ILE 50 HB ILE 50 3.949 1.377 5.228 1198 1HG1 ILE 50 2HG1 ILE 50 2.271 0.883 3.414 1199 2HG1 ILE 50 1HG1 ILE 50 3.279 2.289 3.082 1200 1HG2 ILE 50 1HG2 ILE 50 5.979 0.440 3.182 1201 2HG2 ILE 50 2HG2 ILE 50 6.297 1.018 4.818 1202 3HG2 ILE 50 3HG2 ILE 50 5.725 2.139 3.582 1203 1HD1 ILE 50 1HD1 ILE 50 4.548 -0.124 2.092 1204 2HD1 ILE 50 2HD1 ILE 50 4.100 1.337 1.212 1205 3HD1 ILE 50 3HD1 ILE 50 2.924 0.041 1.426 1206 H LYS 51 H LYS 51 5.775 -2.565 4.526 1207 HA LYS 51 HA LYS 51 7.433 -1.774 6.761 1208 1HB LYS 51 2HB LYS 51 6.752 -3.529 8.325 1209 2HB LYS 51 1HB LYS 51 5.344 -2.556 7.908 1210 1HG LYS 51 2HG LYS 51 4.573 -4.232 6.341 1211 2HG LYS 51 1HG LYS 51 6.057 -5.157 6.544 1212 1HD LYS 51 2HD LYS 51 4.569 -4.556 9.034 1213 2HD LYS 51 1HD LYS 51 3.797 -5.694 7.928 1214 1HE LYS 51 2HE LYS 51 5.558 -7.244 8.083 1215 2HE LYS 51 1HE LYS 51 6.715 -6.014 8.629 1216 1HZ LYS 51 1HZ LYS 51 4.299 -6.811 10.162 1217 2HZ LYS 51 2HZ LYS 51 5.553 -5.791 10.684 1218 3HZ LYS 51 3HZ LYS 51 5.844 -7.448 10.450 1219 HA PRO 52 HA PRO 52 9.680 -4.470 4.058 1220 1HB PRO 52 2HB PRO 52 12.155 -4.023 5.089 1221 2HB PRO 52 1HB PRO 52 11.319 -2.862 4.042 1222 1HG PRO 52 2HG PRO 52 11.710 -2.823 6.974 1223 2HG PRO 52 1HG PRO 52 11.600 -1.482 5.830 1224 1HD PRO 52 2HD PRO 52 9.565 -2.342 7.516 1225 2HD PRO 52 1HD PRO 52 9.357 -1.313 6.083 1226 H VAL 53 H VAL 53 10.459 -6.526 4.149 1227 HA VAL 53 HA VAL 53 11.326 -7.766 6.682 1228 HB VAL 53 HB VAL 53 9.658 -9.609 6.343 1229 1HG1 VAL 53 1HG1 VAL 53 9.216 -7.744 7.924 1230 2HG1 VAL 53 2HG1 VAL 53 7.730 -8.370 7.211 1231 3HG1 VAL 53 3HG1 VAL 53 8.417 -6.856 6.628 1232 1HG2 VAL 53 1HG2 VAL 53 8.653 -7.710 4.204 1233 2HG2 VAL 53 2HG2 VAL 53 7.690 -9.037 4.850 1234 3HG2 VAL 53 3HG2 VAL 53 9.188 -9.376 3.988 1235 H ALA 54 H ALA 54 13.142 -8.887 6.071 1236 HA ALA 54 HA ALA 54 13.861 -9.208 3.341 1237 1HB ALA 54 1HB ALA 54 14.903 -10.517 5.859 1238 2HB ALA 54 2HB ALA 54 15.529 -9.064 5.087 1239 3HB ALA 54 3HB ALA 54 15.692 -10.623 4.296 1240 H ARG 55 H ARG 55 13.945 -11.028 1.982 1241 HA ARG 55 HA ARG 55 12.774 -13.580 2.926 1242 1HB ARG 55 2HB ARG 55 11.023 -11.682 2.224 1243 2HB ARG 55 1HB ARG 55 11.371 -12.320 0.617 1244 1HG ARG 55 2HG ARG 55 9.664 -13.752 1.224 1245 2HG ARG 55 1HG ARG 55 11.037 -14.651 1.872 1246 1HD ARG 55 2HD ARG 55 10.667 -13.441 4.077 1247 2HD ARG 55 1HD ARG 55 9.144 -12.835 3.396 1248 HE ARG 55 HE ARG 55 8.992 -15.521 2.863 1249 1HH1 ARG 55 1HH2 ARG 55 10.844 -14.962 5.487 1250 2HH1 ARG 55 2HH2 ARG 55 9.739 -15.568 6.675 1251 1HH2 ARG 55 1HH1 ARG 55 7.065 -15.759 4.476 1252 2HH2 ARG 55 2HH1 ARG 55 7.599 -16.019 6.102 1253 H GLN 56 H GLN 56 15.171 -12.291 1.303 1254 HA GLN 56 HA GLN 56 15.648 -14.618 -0.367 1255 1HB GLN 56 2HB GLN 56 14.314 -12.209 -1.405 1256 2HB GLN 56 1HB GLN 56 15.652 -12.797 -2.392 1257 1HG GLN 56 2HG GLN 56 14.261 -15.114 -1.692 1258 2HG GLN 56 1HG GLN 56 12.990 -13.936 -2.019 1259 1HE2 GLN 56 1HE2 GLN 56 14.150 -12.401 -4.069 1260 2HE2 GLN 56 2HE2 GLN 56 14.430 -13.383 -5.426 1261 H ALA 57 H ALA 57 17.825 -14.670 -1.095 1262 HA ALA 57 HA ALA 57 19.481 -12.286 -1.232 1263 1HB ALA 57 1HB ALA 57 20.745 -12.565 0.748 1264 2HB ALA 57 2HB ALA 57 20.227 -14.236 0.937 1265 3HB ALA 57 3HB ALA 57 19.102 -12.923 1.278 1266 H ARG 58 H ARG 58 18.770 -14.906 -2.610 1267 HA ARG 58 HA ARG 58 21.359 -15.402 -3.798 1268 1HB ARG 58 2HB ARG 58 21.867 -16.847 -2.043 1269 2HB ARG 58 1HB ARG 58 20.170 -17.155 -1.680 1270 1HG ARG 58 2HG ARG 58 20.133 -18.976 -2.982 1271 2HG ARG 58 1HG ARG 58 20.870 -18.116 -4.324 1272 1HD ARG 58 2HD ARG 58 22.989 -18.392 -2.551 1273 2HD ARG 58 1HD ARG 58 22.130 -19.938 -2.414 1274 HE ARG 58 HE ARG 58 22.170 -19.413 -5.146 1275 1HH1 ARG 58 1HH1 ARG 58 23.891 -21.220 -3.044 1276 2HH1 ARG 58 2HH1 ARG 58 25.410 -21.138 -3.872 1277 1HH2 ARG 58 1HH2 ARG 58 24.391 -18.636 -6.045 1278 2HH2 ARG 58 2HH2 ARG 58 25.693 -19.675 -5.572 1279 H LYS 59 H LYS 59 21.049 -16.664 -5.753 1280 HA LYS 59 HA LYS 59 18.576 -17.993 -6.382 1281 1HB LYS 59 2HB LYS 59 17.528 -16.317 -7.750 1282 2HB LYS 59 1HB LYS 59 17.908 -15.568 -6.203 1283 1HG LYS 59 2HG LYS 59 20.040 -14.699 -7.224 1284 2HG LYS 59 1HG LYS 59 19.475 -15.298 -8.784 1285 1HD LYS 59 2HD LYS 59 18.660 -13.141 -8.897 1286 2HD LYS 59 1HD LYS 59 17.290 -13.924 -8.108 1287 1HE LYS 59 2HE LYS 59 17.641 -12.812 -6.145 1288 2HE LYS 59 1HE LYS 59 19.403 -13.006 -6.249 1289 1HZ LYS 59 1HZ LYS 59 17.833 -11.186 -7.993 1290 2HZ LYS 59 2HZ LYS 59 19.525 -11.298 -7.886 1291 3HZ LYS 59 3HZ LYS 59 18.627 -10.678 -6.583 1292 H GLY 60 H GLY 60 21.430 -18.427 -6.738 1293 1HA GLY 60 2HA GLY 60 21.715 -18.337 -9.708 1294 2HA GLY 60 1HA GLY 60 23.042 -18.601 -8.572 1295 H PHE 61 H PHE 61 20.648 -20.142 -10.490 1296 HA PHE 61 HA PHE 61 20.164 -22.563 -9.176 1297 1HB PHE 61 2HB PHE 61 19.678 -23.425 -11.382 1298 2HB PHE 61 1HB PHE 61 19.219 -21.726 -11.359 1299 HD1 PHE 61 HD1 PHE 61 20.610 -20.041 -12.506 1300 HD2 PHE 61 HD2 PHE 61 21.532 -24.227 -12.727 1301 HE1 PHE 61 HE1 PHE 61 22.111 -19.607 -14.425 1302 HE2 PHE 61 HE2 PHE 61 23.045 -23.786 -14.638 1303 HZ PHE 61 HZ PHE 61 23.332 -21.479 -15.492 1304 H ASN 62 H ASN 62 21.144 -24.674 -9.418 1305 HA ASN 62 HA ASN 62 23.913 -24.845 -8.834 1306 1HB ASN 62 2HB ASN 62 21.613 -26.506 -9.194 1307 2HB ASN 62 1HB ASN 62 22.921 -27.221 -10.133 1308 1HD2 ASN 62 1HD2 ASN 62 21.698 -28.117 -7.493 1309 2HD2 ASN 62 2HD2 ASN 62 23.011 -28.227 -6.422 1310 HA PRO 63 HA PRO 63 25.856 -24.969 -12.810 1311 1HB PRO 63 2HB PRO 63 27.030 -27.420 -13.157 1312 2HB PRO 63 1HB PRO 63 27.664 -26.198 -12.038 1313 1HG PRO 63 2HG PRO 63 26.044 -28.623 -11.472 1314 2HG PRO 63 1HG PRO 63 27.362 -27.901 -10.538 1315 1HD PRO 63 2HD PRO 63 24.719 -27.625 -9.913 1316 2HD PRO 63 1HD PRO 63 25.969 -26.451 -9.452 1317 H GLN 64 H GLN 64 23.256 -25.200 -13.273 1318 HA GLN 64 HA GLN 64 23.023 -27.322 -15.347 1319 1HB GLN 64 2HB GLN 64 21.109 -26.565 -13.138 1320 2HB GLN 64 1HB GLN 64 20.619 -27.541 -14.523 1321 1HG GLN 64 2HG GLN 64 22.910 -28.826 -13.756 1322 2HG GLN 64 1HG GLN 64 22.288 -28.275 -12.201 1323 1HE2 GLN 64 1HE2 GLN 64 21.329 -30.168 -11.360 1324 2HE2 GLN 64 2HE2 GLN 64 20.135 -31.065 -12.167 1325 H THR 65 H THR 65 20.340 -25.255 -14.482 1326 HA THR 65 HA THR 65 20.894 -23.114 -16.332 1327 HB THR 65 HB THR 65 18.835 -24.280 -17.786 1328 HG1 THR 65 HG1 THR 65 19.740 -26.402 -18.179 1329 1HG2 THR 65 1HG2 THR 65 21.197 -25.070 -19.058 1330 2HG2 THR 65 2HG2 THR 65 21.655 -23.657 -18.108 1331 3HG2 THR 65 3HG2 THR 65 20.343 -23.543 -19.282 1332 H GLN 66 H GLN 66 18.476 -25.048 -14.604 1333 HA GLN 66 HA GLN 66 16.969 -22.513 -14.130 1334 1HB GLN 66 2HB GLN 66 14.876 -23.781 -14.584 1335 2HB GLN 66 1HB GLN 66 15.937 -23.724 -15.991 1336 1HG GLN 66 2HG GLN 66 16.277 -26.018 -14.110 1337 2HG GLN 66 1HG GLN 66 14.850 -26.020 -15.148 1338 1HE2 GLN 66 1HE2 GLN 66 18.026 -27.053 -15.068 1339 2HE2 GLN 66 2HE2 GLN 66 18.335 -27.117 -16.735 1340 H GLU 67 H GLU 67 18.687 -24.701 -12.525 1341 HA GLU 67 HA GLU 67 16.679 -25.442 -10.475 1342 1HB GLU 67 2HB GLU 67 18.809 -26.734 -11.456 1343 2HB GLU 67 1HB GLU 67 19.631 -25.852 -10.168 1344 1HG GLU 67 2HG GLU 67 18.473 -26.949 -8.486 1345 2HG GLU 67 1HG GLU 67 17.076 -27.269 -9.514 1346 H ALA 68 H ALA 68 16.861 -22.718 -10.725 1347 HA ALA 68 HA ALA 68 18.684 -21.201 -9.291 1348 1HB ALA 68 1HB ALA 68 16.992 -20.041 -10.362 1349 2HB ALA 68 2HB ALA 68 16.412 -19.952 -8.698 1350 3HB ALA 68 3HB ALA 68 15.741 -21.152 -9.803 1351 H LEU 69 H LEU 69 18.823 -20.506 -7.099 1352 HA LEU 69 HA LEU 69 17.406 -22.227 -5.091 1353 1HB LEU 69 2HB LEU 69 20.277 -21.229 -5.120 1354 2HB LEU 69 1HB LEU 69 19.547 -22.185 -3.830 1355 HG LEU 69 HG LEU 69 19.491 -23.191 -6.665 1356 1HD1 LEU 69 1HD1 LEU 69 21.828 -22.734 -6.341 1357 2HD1 LEU 69 2HD1 LEU 69 21.603 -24.460 -6.056 1358 3HD1 LEU 69 3HD1 LEU 69 21.781 -23.358 -4.691 1359 1HD2 LEU 69 1HD2 LEU 69 19.294 -25.336 -5.580 1360 2HD2 LEU 69 2HD2 LEU 69 18.166 -24.243 -4.776 1361 3HD2 LEU 69 3HD2 LEU 69 19.705 -24.641 -4.012 1362 H GLU 70 H GLU 70 18.392 -20.903 -2.824 1363 HA GLU 70 HA GLU 70 18.364 -18.056 -2.847 1364 1HB GLU 70 2HB GLU 70 15.961 -17.707 -2.167 1365 2HB GLU 70 1HB GLU 70 16.135 -18.278 -3.823 1366 1HG GLU 70 2HG GLU 70 15.987 -20.648 -2.447 1367 2HG GLU 70 1HG GLU 70 14.926 -19.616 -1.488 1368 H ILE 71 H ILE 71 19.917 -18.954 -1.103 1369 HA ILE 71 HA ILE 71 18.438 -19.755 1.359 1370 HB ILE 71 HB ILE 71 20.863 -20.404 1.993 1371 1HG1 ILE 71 2HG1 ILE 71 22.143 -21.243 0.031 1372 2HG1 ILE 71 1HG1 ILE 71 20.953 -20.510 -1.039 1373 1HG2 ILE 71 1HG2 ILE 71 19.292 -21.980 -0.039 1374 2HG2 ILE 71 2HG2 ILE 71 18.845 -21.833 1.661 1375 3HG2 ILE 71 3HG2 ILE 71 20.353 -22.631 1.210 1376 1HD1 ILE 71 1HD1 ILE 71 23.009 -19.101 -0.718 1377 2HD1 ILE 71 2HD1 ILE 71 22.598 -18.966 0.988 1378 3HD1 ILE 71 3HD1 ILE 71 21.524 -18.284 -0.233 1379 H ALA 72 H ALA 72 17.967 -17.775 1.985 1380 HA ALA 72 HA ALA 72 18.933 -16.434 4.008 1381 1HB ALA 72 1HB ALA 72 20.648 -14.778 3.007 1382 2HB ALA 72 2HB ALA 72 20.765 -15.920 1.670 1383 3HB ALA 72 3HB ALA 72 21.193 -16.427 3.306 1384 HA PRO 73 HA PRO 73 16.238 -13.578 1.853 1385 1HB PRO 73 2HB PRO 73 14.742 -12.908 4.010 1386 2HB PRO 73 1HB PRO 73 14.529 -14.428 3.122 1387 1HG PRO 73 2HG PRO 73 15.545 -14.031 5.811 1388 2HG PRO 73 1HG PRO 73 15.152 -15.550 4.994 1389 1HD PRO 73 2HD PRO 73 17.778 -14.252 5.338 1390 2HD PRO 73 1HD PRO 73 17.397 -15.940 4.913 1391 H SER 74 H SER 74 16.647 -11.448 1.535 1392 HA SER 74 HA SER 74 17.780 -9.835 3.782 1393 1HB SER 74 2HB SER 74 18.138 -10.010 0.834 1394 2HB SER 74 1HB SER 74 18.369 -8.458 1.608 1395 HG SER 74 HG SER 74 20.083 -10.370 1.440 1396 H VAL 75 H VAL 75 16.850 -7.641 3.981 1397 HA VAL 75 HA VAL 75 14.333 -7.085 4.399 1398 HB VAL 75 HB VAL 75 16.085 -5.396 2.611 1399 1HG1 VAL 75 1HG1 VAL 75 14.709 -3.528 3.087 1400 2HG1 VAL 75 2HG1 VAL 75 13.824 -4.399 4.336 1401 3HG1 VAL 75 3HG1 VAL 75 13.578 -4.802 2.639 1402 1HG2 VAL 75 1HG2 VAL 75 16.892 -6.093 4.932 1403 2HG2 VAL 75 2HG2 VAL 75 15.535 -5.175 5.580 1404 3HG2 VAL 75 3HG2 VAL 75 16.794 -4.356 4.657 1405 H GLY 76 H GLY 76 12.303 -6.740 3.438 1406 1HA GLY 76 2HA GLY 76 12.117 -6.998 0.487 1407 2HA GLY 76 1HA GLY 76 11.227 -8.158 1.469 1408 H VAL 77 H VAL 77 9.168 -7.511 0.950 1409 HA VAL 77 HA VAL 77 8.297 -4.841 1.999 1410 HB VAL 77 HB VAL 77 7.448 -6.009 -0.676 1411 1HG1 VAL 77 1HG1 VAL 77 5.842 -4.438 -0.045 1412 2HG1 VAL 77 2HG1 VAL 77 6.979 -3.436 -0.945 1413 3HG1 VAL 77 3HG1 VAL 77 7.012 -3.441 0.819 1414 1HG2 VAL 77 1HG2 VAL 77 8.957 -4.063 -1.533 1415 2HG2 VAL 77 2HG2 VAL 77 9.737 -5.564 -1.036 1416 3HG2 VAL 77 3HG2 VAL 77 9.732 -4.174 0.048 1417 H SER 78 H SER 78 7.492 -6.199 3.716 1418 HA SER 78 HA SER 78 5.683 -8.371 3.518 1419 1HB SER 78 2HB SER 78 6.871 -6.759 5.487 1420 2HB SER 78 1HB SER 78 5.137 -6.597 5.747 1421 HG SER 78 HG SER 78 5.157 -8.539 6.515 1422 H VAL 79 H VAL 79 5.049 -4.893 3.751 1423 HA VAL 79 HA VAL 79 2.352 -4.700 4.145 1424 HB VAL 79 HB VAL 79 3.947 -2.882 3.844 1425 1HG1 VAL 79 1HG1 VAL 79 3.961 -2.709 0.964 1426 2HG1 VAL 79 2HG1 VAL 79 4.597 -4.270 1.479 1427 3HG1 VAL 79 3HG1 VAL 79 5.327 -2.781 2.078 1428 1HG2 VAL 79 1HG2 VAL 79 1.958 -2.487 1.616 1429 2HG2 VAL 79 2HG2 VAL 79 2.514 -1.319 2.812 1430 3HG2 VAL 79 3HG2 VAL 79 1.409 -2.603 3.285 1431 H LYS 80 H LYS 80 0.660 -4.037 2.562 1432 HA LYS 80 HA LYS 80 0.535 -4.819 -0.173 1433 1HB LYS 80 2HB LYS 80 -0.736 -6.923 0.160 1434 2HB LYS 80 1HB LYS 80 0.835 -7.044 0.939 1435 1HG LYS 80 2HG LYS 80 -1.019 -5.899 2.803 1436 2HG LYS 80 1HG LYS 80 -1.730 -7.364 2.128 1437 1HD LYS 80 2HD LYS 80 0.153 -8.691 2.786 1438 2HD LYS 80 1HD LYS 80 1.104 -7.258 3.183 1439 1HE LYS 80 2HE LYS 80 0.312 -8.108 5.286 1440 2HE LYS 80 1HE LYS 80 -0.741 -6.728 4.916 1441 1HZ LYS 80 1HZ LYS 80 -1.991 -8.764 5.507 1442 2HZ LYS 80 2HZ LYS 80 -1.326 -9.539 4.149 1443 3HZ LYS 80 3HZ LYS 80 -2.349 -8.197 3.949 1444 HA PRO 81 HA PRO 81 -3.376 -2.741 0.399 1445 1HB PRO 81 2HB PRO 81 -5.128 -4.131 -1.181 1446 2HB PRO 81 1HB PRO 81 -3.868 -3.072 -1.847 1447 1HG PRO 81 2HG PRO 81 -3.890 -6.038 -1.560 1448 2HG PRO 81 1HG PRO 81 -3.298 -5.039 -2.896 1449 1HD PRO 81 2HD PRO 81 -1.648 -6.154 -1.053 1450 2HD PRO 81 1HD PRO 81 -1.282 -4.621 -1.869 1451 H GLY 82 H GLY 82 -5.006 -2.851 1.965 1452 1HA GLY 82 2HA GLY 82 -5.495 -5.523 3.187 1453 2HA GLY 82 1HA GLY 82 -5.761 -3.976 3.991 1454 H GLU 83 H GLU 83 -7.936 -4.863 4.471 1455 HA GLU 83 HA GLU 83 -9.787 -5.134 2.177 1456 1HB GLU 83 2HB GLU 83 -11.370 -5.773 3.979 1457 2HB GLU 83 1HB GLU 83 -9.871 -6.696 4.072 1458 1HG GLU 83 2HG GLU 83 -9.520 -4.292 5.585 1459 2HG GLU 83 1HG GLU 83 -11.044 -5.029 6.079 1460 H SER 84 H SER 84 -8.657 -2.644 4.227 1461 HA SER 84 HA SER 84 -10.928 -1.043 4.721 1462 1HB SER 84 2HB SER 84 -8.028 -0.795 4.566 1463 2HB SER 84 1HB SER 84 -8.825 0.685 4.040 1464 HG SER 84 HG SER 84 -9.346 1.040 6.036 1465 H LEU 85 H LEU 85 -8.997 -1.399 1.767 1466 HA LEU 85 HA LEU 85 -10.576 0.656 0.348 1467 1HB LEU 85 2HB LEU 85 -8.921 -1.122 -1.299 1468 2HB LEU 85 1HB LEU 85 -8.855 0.625 -1.135 1469 HG LEU 85 HG LEU 85 -7.777 -0.076 1.239 1470 1HD1 LEU 85 1HD1 LEU 85 -7.920 -2.521 -0.187 1471 2HD1 LEU 85 2HD1 LEU 85 -7.052 -2.211 1.316 1472 3HD1 LEU 85 3HD1 LEU 85 -6.228 -2.025 -0.231 1473 1HD2 LEU 85 1HD2 LEU 85 -5.531 0.059 -0.060 1474 2HD2 LEU 85 2HD2 LEU 85 -6.626 1.438 -0.157 1475 3HD2 LEU 85 3HD2 LEU 85 -6.542 0.284 -1.488 1476 H LYS 86 H LYS 86 -10.331 -2.853 0.585 1477 HA LYS 86 HA LYS 86 -12.074 -3.437 -1.634 1478 1HB LYS 86 2HB LYS 86 -10.639 -4.801 0.499 1479 2HB LYS 86 1HB LYS 86 -12.234 -5.512 0.262 1480 1HG LYS 86 2HG LYS 86 -11.684 -5.548 -2.239 1481 2HG LYS 86 1HG LYS 86 -10.020 -5.195 -1.770 1482 1HD LYS 86 2HD LYS 86 -10.252 -7.208 -0.163 1483 2HD LYS 86 1HD LYS 86 -11.671 -7.634 -1.120 1484 1HE LYS 86 2HE LYS 86 -10.416 -8.161 -2.996 1485 2HE LYS 86 1HE LYS 86 -9.135 -7.002 -2.589 1486 1HZ LYS 86 1HZ LYS 86 -9.719 -9.569 -1.212 1487 2HZ LYS 86 2HZ LYS 86 -8.616 -8.411 -0.640 1488 3HZ LYS 86 3HZ LYS 86 -8.336 -9.197 -2.120 1489 H LYS 87 H LYS 87 -12.559 -2.783 1.771 1490 HA LYS 87 HA LYS 87 -15.385 -3.449 1.760 1491 1HB LYS 87 2HB LYS 87 -14.051 -3.477 3.818 1492 2HB LYS 87 1HB LYS 87 -13.595 -1.791 3.577 1493 1HG LYS 87 2HG LYS 87 -15.349 -1.706 5.170 1494 2HG LYS 87 1HG LYS 87 -16.123 -1.283 3.644 1495 1HD LYS 87 2HD LYS 87 -17.025 -3.492 3.389 1496 2HD LYS 87 1HD LYS 87 -16.045 -4.110 4.719 1497 1HE LYS 87 2HE LYS 87 -17.373 -3.090 6.351 1498 2HE LYS 87 1HE LYS 87 -17.971 -1.851 5.229 1499 1HZ LYS 87 1HZ LYS 87 -19.108 -3.592 3.982 1500 2HZ LYS 87 2HZ LYS 87 -19.653 -3.548 5.591 1501 3HZ LYS 87 3HZ LYS 87 -18.573 -4.759 5.089 1502 H ALA 88 H ALA 88 -13.360 -0.592 1.314 1503 HA ALA 88 HA ALA 88 -15.545 1.293 1.064 1504 1HB ALA 88 1HB ALA 88 -12.673 1.210 0.082 1505 2HB ALA 88 2HB ALA 88 -13.267 1.999 1.543 1506 3HB ALA 88 3HB ALA 88 -13.705 2.635 -0.042 1507 H ALA 89 H ALA 89 -13.786 -0.898 -1.059 1508 HA ALA 89 HA ALA 89 -14.911 0.069 -3.541 1509 1HB ALA 89 1HB ALA 89 -13.961 -2.196 -4.316 1510 2HB ALA 89 2HB ALA 89 -13.448 -2.412 -2.642 1511 3HB ALA 89 3HB ALA 89 -12.816 -1.068 -3.591 1512 H GLU 90 H GLU 90 -15.677 -2.692 -1.437 1513 HA GLU 90 HA GLU 90 -17.805 -3.747 -3.007 1514 1HB GLU 90 2HB GLU 90 -18.304 -4.973 -1.056 1515 2HB GLU 90 1HB GLU 90 -16.606 -4.573 -0.823 1516 1HG GLU 90 2HG GLU 90 -17.272 -3.764 1.190 1517 2HG GLU 90 1HG GLU 90 -17.864 -2.382 0.274 1518 H GLY 91 H GLY 91 -17.466 -0.818 -1.194 1519 1HA GLY 91 2HA GLY 91 -20.370 -0.366 -1.051 1520 2HA GLY 91 1HA GLY 91 -19.129 0.654 -0.347 1521 H LEU 92 H LEU 92 -17.672 0.802 -3.219 1522 HA LEU 92 HA LEU 92 -19.716 2.794 -4.179 1523 1HB LEU 92 2HB LEU 92 -16.939 3.112 -5.093 1524 2HB LEU 92 1HB LEU 92 -18.056 4.304 -4.454 1525 HG LEU 92 HG LEU 92 -16.442 2.315 -2.839 1526 1HD1 LEU 92 1HD1 LEU 92 -15.120 4.125 -2.168 1527 2HD1 LEU 92 2HD1 LEU 92 -16.354 5.307 -2.598 1528 3HD1 LEU 92 3HD1 LEU 92 -15.428 4.504 -3.859 1529 1HD2 LEU 92 1HD2 LEU 92 -17.724 4.405 -1.305 1530 2HD2 LEU 92 2HD2 LEU 92 -17.862 2.657 -1.115 1531 3HD2 LEU 92 3HD2 LEU 92 -18.937 3.511 -2.221 1532 H LYS 93 H LYS 93 -16.918 1.274 -5.836 1533 HA LYS 93 HA LYS 93 -18.782 0.857 -8.144 1534 1HB LYS 93 2HB LYS 93 -16.199 2.063 -7.800 1535 2HB LYS 93 1HB LYS 93 -16.051 0.715 -8.926 1536 1HG LYS 93 2HG LYS 93 -18.446 2.085 -9.608 1537 2HG LYS 93 1HG LYS 93 -17.204 3.315 -9.382 1538 1HD LYS 93 2HD LYS 93 -16.286 0.942 -10.871 1539 2HD LYS 93 1HD LYS 93 -17.553 1.859 -11.686 1540 1HE LYS 93 2HE LYS 93 -15.701 3.752 -10.608 1541 2HE LYS 93 1HE LYS 93 -14.773 2.517 -11.482 1542 1HZ LYS 93 1HZ LYS 93 -15.613 4.269 -12.969 1543 2HZ LYS 93 2HZ LYS 93 -17.205 3.871 -12.526 1544 3HZ LYS 93 3HZ LYS 93 -16.245 2.743 -13.358 1545 H TYR 94 H TYR 94 -18.502 -1.151 -6.046 1546 HA TYR 94 HA TYR 94 -16.732 -3.257 -6.976 1547 1HB TYR 94 2HB TYR 94 -17.418 -3.248 -4.691 1548 2HB TYR 94 1HB TYR 94 -19.121 -3.097 -5.126 1549 HD1 TYR 94 HD1 TYR 94 -20.149 -5.053 -4.313 1550 HD2 TYR 94 HD2 TYR 94 -16.485 -5.347 -6.534 1551 HE1 TYR 94 HE1 TYR 94 -20.374 -7.525 -4.359 1552 HE2 TYR 94 HE2 TYR 94 -16.709 -7.816 -6.578 1553 HH TYR 94 HH TYR 94 -19.589 -9.415 -5.722 1554 H GLU 95 H GLU 95 -20.271 -2.831 -7.140 1555 HA GLU 95 HA GLU 95 -20.664 -5.038 -8.980 1556 1HB GLU 95 2HB GLU 95 -22.406 -2.640 -8.316 1557 2HB GLU 95 1HB GLU 95 -22.955 -4.139 -9.065 1558 1HG GLU 95 2HG GLU 95 -21.948 -5.297 -6.965 1559 2HG GLU 95 1HG GLU 95 -21.998 -3.689 -6.243 1560 H ASP 96 H ASP 96 -20.092 -1.576 -9.261 1561 HA ASP 96 HA ASP 96 -20.793 -1.159 -11.984 1562 1HB ASP 96 2HB ASP 96 -18.535 -0.001 -10.308 1563 2HB ASP 96 1HB ASP 96 -19.170 0.717 -11.789 1564 H PHE 97 H PHE 97 -17.928 -2.555 -10.460 1565 HA PHE 97 HA PHE 97 -16.414 -2.810 -12.955 1566 1HB PHE 97 2HB PHE 97 -16.202 -3.756 -10.103 1567 2HB PHE 97 1HB PHE 97 -15.139 -4.447 -11.326 1568 HD1 PHE 97 HD1 PHE 97 -14.917 -2.291 -8.819 1569 HD2 PHE 97 HD2 PHE 97 -14.560 -2.194 -13.098 1570 HE1 PHE 97 HE1 PHE 97 -13.444 -0.308 -8.650 1571 HE2 PHE 97 HE2 PHE 97 -13.088 -0.206 -12.929 1572 HZ PHE 97 HZ PHE 97 -12.529 0.738 -10.706 1573 H ALA 98 H ALA 98 -18.553 -4.816 -10.997 1574 HA ALA 98 HA ALA 98 -18.136 -7.346 -12.223 1575 1HB ALA 98 1HB ALA 98 -19.429 -7.432 -10.306 1576 2HB ALA 98 2HB ALA 98 -20.726 -7.434 -11.501 1577 3HB ALA 98 3HB ALA 98 -20.274 -5.934 -10.692 1578 H LYS 99 H LYS 99 -20.429 -4.747 -13.047 1579 HA LYS 99 HA LYS 99 -20.790 -6.037 -15.732 1580 1HB LYS 99 2HB LYS 99 -23.126 -5.277 -15.610 1581 2HB LYS 99 1HB LYS 99 -22.740 -6.263 -14.201 1582 1HG LYS 99 2HG LYS 99 -22.184 -4.051 -13.011 1583 2HG LYS 99 1HG LYS 99 -23.001 -3.258 -14.357 1584 1HD LYS 99 2HD LYS 99 -25.077 -4.222 -13.831 1585 2HD LYS 99 1HD LYS 99 -24.342 -5.508 -12.874 1586 1HE LYS 99 2HE LYS 99 -23.487 -3.224 -11.557 1587 2HE LYS 99 1HE LYS 99 -25.144 -2.811 -12.040 1588 1HZ LYS 99 1HZ LYS 99 -25.909 -4.911 -11.155 1589 2HZ LYS 99 2HZ LYS 99 -25.095 -4.048 -9.939 1590 3HZ LYS 99 3HZ LYS 99 -24.329 -5.347 -10.721 Start of MODEL 2 1 1H MET 1 1H MET 1 4.537 3.020 9.930 2 2H MET 1 2H MET 1 5.104 3.518 11.452 3 3H MET 1 3H MET 1 5.983 3.900 10.050 4 HA MET 1 HA MET 1 4.406 5.661 11.196 5 1HB MET 1 2HB MET 1 5.257 5.019 8.418 6 2HB MET 1 1HB MET 1 4.056 6.296 8.583 7 1HG MET 1 2HG MET 1 5.528 7.733 9.559 8 2HG MET 1 1HG MET 1 6.302 6.457 10.495 9 1HE MET 1 1HE MET 1 6.235 6.804 6.186 10 2HE MET 1 2HE MET 1 7.045 8.317 6.586 11 3HE MET 1 3HE MET 1 5.501 7.928 7.337 12 H ASN 2 H ASN 2 2.258 6.676 10.117 13 HA ASN 2 HA ASN 2 0.352 4.751 9.088 14 1HB ASN 2 2HB ASN 2 -1.046 4.643 11.105 15 2HB ASN 2 1HB ASN 2 0.585 4.076 11.461 16 1HD2 ASN 2 1HD2 ASN 2 -0.986 5.020 13.590 17 2HD2 ASN 2 2HD2 ASN 2 -0.379 6.511 14.129 18 H LYS 3 H LYS 3 -2.011 5.983 10.086 19 HA LYS 3 HA LYS 3 -2.441 8.095 8.267 20 1HB LYS 3 2HB LYS 3 -3.751 6.914 10.654 21 2HB LYS 3 1HB LYS 3 -4.279 8.543 10.241 22 1HG LYS 3 2HG LYS 3 -4.063 6.834 7.881 23 2HG LYS 3 1HG LYS 3 -5.186 6.178 9.068 24 1HD LYS 3 2HD LYS 3 -6.146 8.584 9.188 25 2HD LYS 3 1HD LYS 3 -5.281 8.856 7.679 26 1HE LYS 3 2HE LYS 3 -7.405 8.148 6.906 27 2HE LYS 3 1HE LYS 3 -6.507 6.616 6.922 28 1HZ LYS 3 1HZ LYS 3 -7.243 6.425 9.320 29 2HZ LYS 3 2HZ LYS 3 -8.457 6.214 8.151 30 3HZ LYS 3 3HZ LYS 3 -8.337 7.681 8.998 31 H THR 4 H THR 4 -0.566 8.234 11.131 32 HA THR 4 HA THR 4 -0.850 11.236 11.217 33 HB THR 4 HB THR 4 -0.359 9.186 13.407 34 HG1 THR 4 HG1 THR 4 -2.316 10.026 14.173 35 1HG2 THR 4 1HG2 THR 4 -0.648 11.472 14.771 36 2HG2 THR 4 2HG2 THR 4 0.076 12.135 13.307 37 3HG2 THR 4 3HG2 THR 4 0.933 10.904 14.233 38 H GLU 5 H GLU 5 1.354 8.476 11.691 39 HA GLU 5 HA GLU 5 3.749 10.015 11.968 40 1HB GLU 5 2HB GLU 5 2.996 7.373 12.045 41 2HB GLU 5 1HB GLU 5 3.918 7.447 10.547 42 1HG GLU 5 2HG GLU 5 5.524 6.957 12.235 43 2HG GLU 5 1HG GLU 5 5.722 8.675 11.893 44 H LEU 6 H LEU 6 2.387 8.361 9.089 45 HA LEU 6 HA LEU 6 4.169 9.453 7.159 46 1HB LEU 6 2HB LEU 6 1.416 8.308 7.242 47 2HB LEU 6 1HB LEU 6 1.846 9.205 5.789 48 HG LEU 6 HG LEU 6 3.650 7.066 6.919 49 1HD1 LEU 6 1HD1 LEU 6 1.948 5.621 6.436 50 2HD1 LEU 6 2HD1 LEU 6 2.432 5.897 4.763 51 3HD1 LEU 6 3HD1 LEU 6 1.090 6.807 5.455 52 1HD2 LEU 6 1HD2 LEU 6 4.789 8.379 5.317 53 2HD2 LEU 6 2HD2 LEU 6 3.352 8.558 4.311 54 3HD2 LEU 6 3HD2 LEU 6 4.196 7.011 4.375 55 H ILE 7 H ILE 7 1.374 10.834 8.794 56 HA ILE 7 HA ILE 7 0.841 13.060 7.111 57 HB ILE 7 HB ILE 7 0.522 12.289 9.968 58 1HG1 ILE 7 2HG1 ILE 7 -1.223 13.307 7.740 59 2HG1 ILE 7 1HG1 ILE 7 -1.250 11.723 8.501 60 1HG2 ILE 7 1HG2 ILE 7 0.947 14.368 10.747 61 2HG2 ILE 7 2HG2 ILE 7 -0.578 14.815 9.989 62 3HG2 ILE 7 3HG2 ILE 7 0.936 15.070 9.133 63 1HD1 ILE 7 1HD1 ILE 7 -3.126 12.967 9.366 64 2HD1 ILE 7 2HD1 ILE 7 -2.102 14.355 9.729 65 3HD1 ILE 7 3HD1 ILE 7 -1.924 12.863 10.652 66 H LYS 8 H LYS 8 2.880 12.941 10.022 67 HA LYS 8 HA LYS 8 4.211 15.426 9.559 68 1HB LYS 8 2HB LYS 8 5.069 14.865 11.591 69 2HB LYS 8 1HB LYS 8 4.144 13.371 11.480 70 1HG LYS 8 2HG LYS 8 6.103 12.372 10.210 71 2HG LYS 8 1HG LYS 8 7.018 13.821 10.630 72 1HD LYS 8 2HD LYS 8 7.586 12.663 12.500 73 2HD LYS 8 1HD LYS 8 5.974 13.105 13.064 74 1HE LYS 8 2HE LYS 8 5.144 10.984 12.760 75 2HE LYS 8 1HE LYS 8 6.144 10.690 11.323 76 1HZ LYS 8 1HZ LYS 8 8.084 10.505 12.705 77 2HZ LYS 8 2HZ LYS 8 6.907 9.429 13.289 78 3HZ LYS 8 3HZ LYS 8 7.195 10.894 14.096 79 H ALA 9 H ALA 9 4.712 12.166 8.298 80 HA ALA 9 HA ALA 9 7.374 12.434 7.307 81 1HB ALA 9 1HB ALA 9 5.125 11.046 5.863 82 2HB ALA 9 2HB ALA 9 5.689 10.454 7.426 83 3HB ALA 9 3HB ALA 9 6.796 10.521 6.056 84 H ILE 10 H ILE 10 4.243 13.537 6.073 85 HA ILE 10 HA ILE 10 5.532 14.639 3.652 86 HB ILE 10 HB ILE 10 2.987 13.529 4.413 87 1HG1 ILE 10 2HG1 ILE 10 2.598 14.084 1.864 88 2HG1 ILE 10 1HG1 ILE 10 4.304 14.525 1.916 89 1HG2 ILE 10 1HG2 ILE 10 2.273 15.817 4.964 90 2HG2 ILE 10 2HG2 ILE 10 1.453 15.244 3.512 91 3HG2 ILE 10 3HG2 ILE 10 2.798 16.373 3.376 92 1HD1 ILE 10 1HD1 ILE 10 3.049 11.864 2.086 93 2HD1 ILE 10 2HD1 ILE 10 4.326 12.146 3.268 94 3HD1 ILE 10 3HD1 ILE 10 4.666 12.315 1.546 95 H ALA 11 H ALA 11 3.908 15.477 6.673 96 HA ALA 11 HA ALA 11 3.713 18.307 6.311 97 1HB ALA 11 1HB ALA 11 3.022 18.182 8.477 98 2HB ALA 11 2HB ALA 11 4.463 17.297 8.978 99 3HB ALA 11 3HB ALA 11 3.118 16.441 8.226 100 H GLN 12 H GLN 12 6.429 16.203 6.882 101 HA GLN 12 HA GLN 12 8.216 18.480 7.527 102 1HB GLN 12 2HB GLN 12 8.546 15.463 7.343 103 2HB GLN 12 1HB GLN 12 9.882 16.555 7.712 104 1HG GLN 12 2HG GLN 12 7.427 16.938 9.333 105 2HG GLN 12 1HG GLN 12 8.305 15.435 9.618 106 1HE2 GLN 12 1HE2 GLN 12 10.529 15.594 10.427 107 2HE2 GLN 12 2HE2 GLN 12 11.114 17.037 11.102 108 H ASP 13 H ASP 13 7.727 15.958 5.039 109 HA ASP 13 HA ASP 13 9.806 16.865 3.254 110 1HB ASP 13 2HB ASP 13 7.145 15.449 2.836 111 2HB ASP 13 1HB ASP 13 8.367 15.622 1.576 112 H THR 14 H THR 14 6.521 17.803 3.959 113 HA THR 14 HA THR 14 6.294 19.764 1.774 114 HB THR 14 HB THR 14 4.179 20.270 3.122 115 HG1 THR 14 HG1 THR 14 3.965 19.474 4.997 116 1HG2 THR 14 1HG2 THR 14 4.254 17.324 2.757 117 2HG2 THR 14 2HG2 THR 14 4.581 18.328 1.353 118 3HG2 THR 14 3HG2 THR 14 3.051 18.489 2.212 119 H GLY 15 H GLY 15 5.737 20.162 5.274 120 1HA GLY 15 2HA GLY 15 6.435 21.857 6.756 121 2HA GLY 15 1HA GLY 15 7.944 21.881 5.844 122 H LEU 16 H LEU 16 5.076 22.485 4.044 123 HA LEU 16 HA LEU 16 5.925 25.275 3.538 124 1HB LEU 16 2HB LEU 16 3.554 23.701 2.480 125 2HB LEU 16 1HB LEU 16 4.209 25.187 1.799 126 HG LEU 16 HG LEU 16 6.429 23.627 1.835 127 1HD1 LEU 16 1HD1 LEU 16 5.903 21.393 1.243 128 2HD1 LEU 16 2HD1 LEU 16 4.207 21.783 0.991 129 3HD1 LEU 16 3HD1 LEU 16 4.863 21.747 2.616 130 1HD2 LEU 16 1HD2 LEU 16 5.186 22.985 -0.608 131 2HD2 LEU 16 2HD2 LEU 16 6.213 24.384 -0.299 132 3HD2 LEU 16 3HD2 LEU 16 4.464 24.520 -0.128 133 H THR 17 H THR 17 2.962 23.596 4.499 134 HA THR 17 HA THR 17 2.289 25.823 6.318 135 HB THR 17 HB THR 17 1.446 25.775 3.717 136 HG1 THR 17 HG1 THR 17 -0.032 26.736 5.939 137 1HG2 THR 17 1HG2 THR 17 -0.951 25.141 3.769 138 2HG2 THR 17 2HG2 THR 17 -0.730 24.481 5.381 139 3HG2 THR 17 3HG2 THR 17 0.115 23.764 4.010 140 H GLN 18 H GLN 18 2.574 22.559 5.882 141 HA GLN 18 HA GLN 18 1.632 20.681 6.972 142 1HB GLN 18 2HB GLN 18 0.420 22.727 8.858 143 2HB GLN 18 1HB GLN 18 0.953 21.090 9.236 144 1HG GLN 18 2HG GLN 18 3.299 21.946 8.462 145 2HG GLN 18 1HG GLN 18 2.614 23.546 8.743 146 1HE2 GLN 18 1HE2 GLN 18 2.616 24.285 10.888 147 2HE2 GLN 18 2HE2 GLN 18 2.928 23.308 12.240 148 H VAL 19 H VAL 19 0.288 22.345 4.936 149 HA VAL 19 HA VAL 19 -2.082 23.084 4.519 150 HB VAL 19 HB VAL 19 -1.024 21.952 2.751 151 1HG1 VAL 19 1HG1 VAL 19 -1.023 19.613 4.597 152 2HG1 VAL 19 2HG1 VAL 19 0.260 20.234 3.566 153 3HG1 VAL 19 3HG1 VAL 19 -1.055 19.297 2.864 154 1HG2 VAL 19 1HG2 VAL 19 -3.476 20.254 3.282 155 2HG2 VAL 19 2HG2 VAL 19 -2.678 20.477 1.734 156 3HG2 VAL 19 3HG2 VAL 19 -3.480 21.836 2.511 157 H SER 20 H SER 20 -2.711 19.712 4.724 158 HA SER 20 HA SER 20 -4.558 20.095 6.980 159 1HB SER 20 2HB SER 20 -6.290 19.668 5.564 160 2HB SER 20 1HB SER 20 -5.155 19.849 4.242 161 HG SER 20 HG SER 20 -6.176 17.846 4.152 162 H VAL 21 H VAL 21 -1.775 18.929 6.532 163 HA VAL 21 HA VAL 21 -1.120 16.428 6.297 164 HB VAL 21 HB VAL 21 -0.204 16.449 8.676 165 1HG1 VAL 21 1HG1 VAL 21 1.087 18.691 8.136 166 2HG1 VAL 21 2HG1 VAL 21 0.228 18.564 6.601 167 3HG1 VAL 21 3HG1 VAL 21 1.309 17.268 7.117 168 1HG2 VAL 21 1HG2 VAL 21 -0.414 18.671 9.828 169 2HG2 VAL 21 2HG2 VAL 21 -1.924 17.766 9.768 170 3HG2 VAL 21 3HG2 VAL 21 -1.657 19.109 8.658 171 H SER 22 H SER 22 -3.454 17.466 8.636 172 HA SER 22 HA SER 22 -4.087 14.723 9.539 173 1HB SER 22 2HB SER 22 -5.900 16.031 10.771 174 2HB SER 22 1HB SER 22 -4.244 16.516 11.125 175 HG SER 22 HG SER 22 -5.142 18.402 10.635 176 H LYS 23 H LYS 23 -5.511 17.173 7.410 177 HA LYS 23 HA LYS 23 -7.812 15.445 6.825 178 1HB LYS 23 2HB LYS 23 -6.966 18.227 6.472 179 2HB LYS 23 1HB LYS 23 -7.915 17.595 5.127 180 1HG LYS 23 2HG LYS 23 -9.765 17.118 6.512 181 2HG LYS 23 1HG LYS 23 -8.794 17.197 7.982 182 1HD LYS 23 2HD LYS 23 -9.510 19.533 6.183 183 2HD LYS 23 1HD LYS 23 -10.158 19.222 7.793 184 1HE LYS 23 2HE LYS 23 -7.402 19.156 8.201 185 2HE LYS 23 1HE LYS 23 -7.622 20.480 7.040 186 1HZ LYS 23 1HZ LYS 23 -9.101 20.103 9.592 187 2HZ LYS 23 2HZ LYS 23 -9.457 21.301 8.441 188 3HZ LYS 23 3HZ LYS 23 -7.967 21.318 9.258 189 H MET 24 H MET 24 -4.715 16.335 5.270 190 HA MET 24 HA MET 24 -5.604 15.231 2.713 191 1HB MET 24 2HB MET 24 -2.808 15.200 2.710 192 2HB MET 24 1HB MET 24 -3.839 16.450 2.053 193 1HG MET 24 2HG MET 24 -3.408 17.897 3.783 194 2HG MET 24 1HG MET 24 -3.309 16.596 4.965 195 1HE MET 24 1HE MET 24 -0.223 15.139 5.091 196 2HE MET 24 2HE MET 24 -0.918 14.567 3.576 197 3HE MET 24 3HE MET 24 -1.973 14.922 4.942 198 H LEU 25 H LEU 25 -3.706 13.999 5.517 199 HA LEU 25 HA LEU 25 -3.287 11.443 4.126 200 1HB LEU 25 2HB LEU 25 -2.820 12.508 6.904 201 2HB LEU 25 1HB LEU 25 -2.519 10.820 6.502 202 HG LEU 25 HG LEU 25 -0.929 13.199 5.868 203 1HD1 LEU 25 1HD1 LEU 25 -0.280 10.264 5.503 204 2HD1 LEU 25 2HD1 LEU 25 -0.247 11.058 7.075 205 3HD1 LEU 25 3HD1 LEU 25 0.847 11.587 5.798 206 1HD2 LEU 25 1HD2 LEU 25 -1.940 12.878 3.622 207 2HD2 LEU 25 2HD2 LEU 25 -1.434 11.188 3.646 208 3HD2 LEU 25 3HD2 LEU 25 -0.224 12.470 3.622 209 H ALA 26 H ALA 26 -5.330 12.564 6.864 210 HA ALA 26 HA ALA 26 -6.701 10.121 7.328 211 1HB ALA 26 1HB ALA 26 -6.851 12.223 8.679 212 2HB ALA 26 2HB ALA 26 -8.441 11.583 8.265 213 3HB ALA 26 3HB ALA 26 -7.786 12.958 7.378 214 H SER 27 H SER 27 -7.096 12.607 4.853 215 HA SER 27 HA SER 27 -9.449 11.260 3.697 216 1HB SER 27 2HB SER 27 -9.567 13.172 2.304 217 2HB SER 27 1HB SER 27 -8.983 13.795 3.841 218 HG SER 27 HG SER 27 -7.714 13.559 1.396 219 H PHE 28 H PHE 28 -5.966 11.563 3.130 220 HA PHE 28 HA PHE 28 -5.816 10.556 0.469 221 1HB PHE 28 2HB PHE 28 -3.747 11.206 1.209 222 2HB PHE 28 1HB PHE 28 -4.120 10.787 2.871 223 HD1 PHE 28 HD1 PHE 28 -3.375 8.769 3.824 224 HD2 PHE 28 HD2 PHE 28 -3.173 9.293 -0.433 225 HE1 PHE 28 HE1 PHE 28 -1.985 6.748 3.651 226 HE2 PHE 28 HE2 PHE 28 -1.781 7.263 -0.606 227 HZ PHE 28 HZ PHE 28 -1.179 5.981 1.428 228 H GLU 29 H GLU 29 -6.138 8.870 3.571 229 HA GLU 29 HA GLU 29 -6.072 6.243 2.287 230 1HB GLU 29 2HB GLU 29 -6.422 7.410 5.043 231 2HB GLU 29 1HB GLU 29 -6.768 5.699 4.750 232 1HG GLU 29 2HG GLU 29 -4.592 5.197 4.544 233 2HG GLU 29 1HG GLU 29 -4.332 6.531 3.432 234 H LYS 30 H LYS 30 -8.303 8.611 3.522 235 HA LYS 30 HA LYS 30 -10.699 7.015 3.213 236 1HB LYS 30 2HB LYS 30 -10.243 9.251 4.503 237 2HB LYS 30 1HB LYS 30 -10.551 10.013 2.941 238 1HG LYS 30 2HG LYS 30 -12.747 8.987 2.813 239 2HG LYS 30 1HG LYS 30 -12.442 8.068 4.289 240 1HD LYS 30 2HD LYS 30 -12.729 9.899 5.655 241 2HD LYS 30 1HD LYS 30 -12.134 11.032 4.439 242 1HE LYS 30 2HE LYS 30 -14.206 11.205 3.390 243 2HE LYS 30 1HE LYS 30 -14.722 9.593 3.921 244 1HZ LYS 30 1HZ LYS 30 -14.816 10.379 6.187 245 2HZ LYS 30 2HZ LYS 30 -15.795 11.366 5.210 246 3HZ LYS 30 3HZ LYS 30 -14.270 11.915 5.720 247 H ILE 31 H ILE 31 -8.562 8.737 1.026 248 HA ILE 31 HA ILE 31 -10.589 8.576 -1.150 249 HB ILE 31 HB ILE 31 -8.985 10.001 -2.334 250 1HG1 ILE 31 2HG1 ILE 31 -7.371 10.934 -0.251 251 2HG1 ILE 31 1HG1 ILE 31 -7.244 9.180 -0.262 252 1HG2 ILE 31 1HG2 ILE 31 -10.272 10.712 0.217 253 2HG2 ILE 31 2HG2 ILE 31 -10.509 11.401 -1.390 254 3HG2 ILE 31 3HG2 ILE 31 -9.121 11.888 -0.417 255 1HD1 ILE 31 1HD1 ILE 31 -5.897 9.296 -2.056 256 2HD1 ILE 31 2HD1 ILE 31 -6.081 11.048 -2.092 257 3HD1 ILE 31 3HD1 ILE 31 -7.215 10.025 -2.973 258 H ILE 32 H ILE 32 -7.493 7.355 -0.102 259 HA ILE 32 HA ILE 32 -6.768 5.974 -2.537 260 HB ILE 32 HB ILE 32 -6.170 5.487 0.404 261 1HG1 ILE 32 2HG1 ILE 32 -5.316 7.534 -1.143 262 2HG1 ILE 32 1HG1 ILE 32 -4.301 6.800 0.095 263 1HG2 ILE 32 1HG2 ILE 32 -5.811 3.367 -0.541 264 2HG2 ILE 32 2HG2 ILE 32 -4.219 4.115 -0.671 265 3HG2 ILE 32 3HG2 ILE 32 -5.272 4.032 -2.083 266 1HD1 ILE 32 1HD1 ILE 32 -3.259 7.112 -2.234 267 2HD1 ILE 32 2HD1 ILE 32 -4.318 5.801 -2.752 268 3HD1 ILE 32 3HD1 ILE 32 -3.106 5.514 -1.504 269 H THR 33 H THR 33 -8.180 4.894 0.507 270 HA THR 33 HA THR 33 -9.002 2.367 -0.494 271 HB THR 33 HB THR 33 -8.927 3.792 1.937 272 HG1 THR 33 HG1 THR 33 -9.032 1.801 2.743 273 1HG2 THR 33 1HG2 THR 33 -11.716 2.856 1.262 274 2HG2 THR 33 2HG2 THR 33 -11.219 4.492 1.698 275 3HG2 THR 33 3HG2 THR 33 -11.155 3.201 2.897 276 H GLU 34 H GLU 34 -10.744 5.443 0.042 277 HA GLU 34 HA GLU 34 -13.256 4.625 -1.051 278 1HB GLU 34 2HB GLU 34 -11.794 7.216 -0.636 279 2HB GLU 34 1HB GLU 34 -13.393 7.202 -1.371 280 1HG GLU 34 2HG GLU 34 -12.727 5.917 1.305 281 2HG GLU 34 1HG GLU 34 -13.494 7.496 1.123 282 H THR 35 H THR 35 -10.293 5.848 -2.643 283 HA THR 35 HA THR 35 -11.416 6.479 -5.192 284 HB THR 35 HB THR 35 -8.747 5.505 -4.190 285 HG1 THR 35 HG1 THR 35 -9.579 7.733 -5.737 286 1HG2 THR 35 1HG2 THR 35 -9.793 5.202 -6.943 287 2HG2 THR 35 2HG2 THR 35 -8.456 4.372 -6.154 288 3HG2 THR 35 3HG2 THR 35 -8.219 5.982 -6.831 289 H VAL 36 H VAL 36 -9.999 3.426 -4.001 290 HA VAL 36 HA VAL 36 -10.784 1.842 -6.252 291 HB VAL 36 HB VAL 36 -10.418 1.336 -3.294 292 1HG1 VAL 36 1HG1 VAL 36 -11.934 -0.316 -5.068 293 2HG1 VAL 36 2HG1 VAL 36 -11.436 -0.671 -3.415 294 3HG1 VAL 36 3HG1 VAL 36 -10.398 -1.122 -4.766 295 1HG2 VAL 36 1HG2 VAL 36 -8.866 1.056 -5.818 296 2HG2 VAL 36 2HG2 VAL 36 -8.592 -0.160 -4.571 297 3HG2 VAL 36 3HG2 VAL 36 -8.324 1.545 -4.214 298 H ALA 37 H ALA 37 -12.543 3.034 -3.436 299 HA ALA 37 HA ALA 37 -15.033 1.636 -4.089 300 1HB ALA 37 1HB ALA 37 -15.863 2.759 -2.169 301 2HB ALA 37 2HB ALA 37 -14.655 4.035 -2.300 302 3HB ALA 37 3HB ALA 37 -14.176 2.416 -1.801 303 H LYS 38 H LYS 38 -13.353 4.202 -5.432 304 HA LYS 38 HA LYS 38 -15.849 5.588 -6.337 305 1HB LYS 38 2HB LYS 38 -13.402 6.504 -5.291 306 2HB LYS 38 1HB LYS 38 -13.301 6.831 -7.021 307 1HG LYS 38 2HG LYS 38 -14.312 8.755 -5.941 308 2HG LYS 38 1HG LYS 38 -15.554 7.932 -6.884 309 1HD LYS 38 2HD LYS 38 -16.455 8.493 -4.686 310 2HD LYS 38 1HD LYS 38 -16.285 6.742 -4.814 311 1HE LYS 38 2HE LYS 38 -14.709 6.663 -3.165 312 2HE LYS 38 1HE LYS 38 -13.887 8.118 -3.762 313 1HZ LYS 38 1HZ LYS 38 -15.647 9.476 -2.871 314 2HZ LYS 38 2HZ LYS 38 -15.024 8.500 -1.627 315 3HZ LYS 38 3HZ LYS 38 -16.507 8.107 -2.359 316 H GLY 39 H GLY 39 -13.248 3.555 -7.219 317 1HA GLY 39 2HA GLY 39 -13.259 2.264 -9.204 318 2HA GLY 39 1HA GLY 39 -14.284 3.479 -9.961 319 H ASP 40 H ASP 40 -11.168 3.890 -8.258 320 HA ASP 40 HA ASP 40 -10.063 4.912 -10.863 321 1HB ASP 40 2HB ASP 40 -10.531 6.240 -8.358 322 2HB ASP 40 1HB ASP 40 -8.793 6.189 -8.657 323 H LYS 41 H LYS 41 -8.248 3.858 -11.472 324 HA LYS 41 HA LYS 41 -7.014 1.832 -9.781 325 1HB LYS 41 2HB LYS 41 -6.839 2.874 -12.569 326 2HB LYS 41 1HB LYS 41 -5.424 2.019 -11.954 327 1HG LYS 41 2HG LYS 41 -6.929 0.130 -11.278 328 2HG LYS 41 1HG LYS 41 -8.265 0.969 -12.068 329 1HD LYS 41 2HD LYS 41 -5.793 0.616 -13.682 330 2HD LYS 41 1HD LYS 41 -6.728 -0.843 -13.349 331 1HE LYS 41 2HE LYS 41 -8.485 -0.171 -14.663 332 2HE LYS 41 1HE LYS 41 -8.302 1.534 -14.205 333 1HZ LYS 41 1HZ LYS 41 -6.405 0.038 -15.935 334 2HZ LYS 41 2HZ LYS 41 -6.334 1.692 -15.549 335 3HZ LYS 41 3HZ LYS 41 -7.599 1.095 -16.514 336 H VAL 42 H VAL 42 -6.180 3.137 -8.025 337 HA VAL 42 HA VAL 42 -4.456 5.389 -8.289 338 HB VAL 42 HB VAL 42 -4.644 3.195 -6.203 339 1HG1 VAL 42 1HG1 VAL 42 -2.708 4.168 -5.470 340 2HG1 VAL 42 2HG1 VAL 42 -3.813 5.397 -4.853 341 3HG1 VAL 42 3HG1 VAL 42 -2.984 5.646 -6.390 342 1HG2 VAL 42 1HG2 VAL 42 -5.710 5.917 -5.730 343 2HG2 VAL 42 2HG2 VAL 42 -6.404 4.349 -5.320 344 3HG2 VAL 42 3HG2 VAL 42 -6.556 4.979 -6.960 345 H GLN 43 H GLN 43 -2.445 5.488 -9.178 346 HA GLN 43 HA GLN 43 -0.761 3.000 -9.199 347 1HB GLN 43 2HB GLN 43 -0.694 5.274 -11.201 348 2HB GLN 43 1HB GLN 43 -0.019 3.657 -11.383 349 1HG GLN 43 2HG GLN 43 -2.634 3.056 -10.908 350 2HG GLN 43 1HG GLN 43 -2.802 4.594 -11.755 351 1HE2 GLN 43 1HE2 GLN 43 -2.450 4.599 -14.013 352 2HE2 GLN 43 2HE2 GLN 43 -1.925 3.245 -14.892 353 H LEU 44 H LEU 44 0.433 3.575 -7.299 354 HA LEU 44 HA LEU 44 1.508 6.227 -6.876 355 1HB LEU 44 2HB LEU 44 1.674 3.494 -5.712 356 2HB LEU 44 1HB LEU 44 2.956 4.624 -5.279 357 HG LEU 44 HG LEU 44 0.002 5.252 -5.056 358 1HD1 LEU 44 1HD1 LEU 44 0.629 5.109 -2.528 359 2HD1 LEU 44 2HD1 LEU 44 1.980 4.123 -3.079 360 3HD1 LEU 44 3HD1 LEU 44 0.327 3.607 -3.399 361 1HD2 LEU 44 1HD2 LEU 44 1.206 7.274 -5.230 362 2HD2 LEU 44 2HD2 LEU 44 2.571 6.642 -4.311 363 3HD2 LEU 44 3HD2 LEU 44 1.059 7.030 -3.491 364 H THR 45 H THR 45 2.896 6.954 -8.466 365 HA THR 45 HA THR 45 4.645 6.859 -10.092 366 HB THR 45 HB THR 45 5.857 7.809 -8.379 367 HG1 THR 45 HG1 THR 45 7.774 6.783 -8.290 368 1HG2 THR 45 1HG2 THR 45 5.381 5.284 -6.776 369 2HG2 THR 45 2HG2 THR 45 4.603 6.844 -6.534 370 3HG2 THR 45 3HG2 THR 45 6.324 6.659 -6.211 371 H GLY 46 H GLY 46 6.188 4.349 -8.151 372 1HA GLY 46 2HA GLY 46 5.475 2.284 -10.136 373 2HA GLY 46 1HA GLY 46 7.180 2.714 -10.021 374 H PHE 47 H PHE 47 5.339 2.881 -7.059 375 HA PHE 47 HA PHE 47 6.550 0.273 -6.284 376 1HB PHE 47 2HB PHE 47 7.331 1.171 -4.300 377 2HB PHE 47 1HB PHE 47 7.551 2.502 -5.426 378 HD1 PHE 47 HD1 PHE 47 6.033 4.406 -5.419 379 HD2 PHE 47 HD2 PHE 47 5.681 1.265 -2.532 380 HE1 PHE 47 HE1 PHE 47 4.601 5.856 -4.032 381 HE2 PHE 47 HE2 PHE 47 4.245 2.705 -1.143 382 HZ PHE 47 HZ PHE 47 3.694 4.999 -1.904 383 H LEU 48 H LEU 48 3.607 2.179 -6.227 384 HA LEU 48 HA LEU 48 2.383 -0.169 -4.860 385 1HB LEU 48 2HB LEU 48 2.352 2.670 -4.171 386 2HB LEU 48 1HB LEU 48 0.761 1.908 -4.142 387 HG LEU 48 HG LEU 48 3.223 1.202 -2.549 388 1HD1 LEU 48 1HD1 LEU 48 1.610 1.277 -0.694 389 2HD1 LEU 48 2HD1 LEU 48 0.316 1.630 -1.840 390 3HD1 LEU 48 3HD1 LEU 48 1.621 2.791 -1.596 391 1HD2 LEU 48 1HD2 LEU 48 1.530 -0.749 -1.799 392 2HD2 LEU 48 2HD2 LEU 48 2.707 -0.982 -3.091 393 3HD2 LEU 48 3HD2 LEU 48 1.031 -0.597 -3.482 394 H ASN 49 H ASN 49 1.469 -1.162 -6.570 395 HA ASN 49 HA ASN 49 -0.059 0.409 -8.591 396 1HB ASN 49 2HB ASN 49 1.448 -2.106 -8.396 397 2HB ASN 49 1HB ASN 49 -0.066 -2.280 -9.286 398 1HD2 ASN 49 1HD2 ASN 49 -0.198 -1.326 -11.378 399 2HD2 ASN 49 2HD2 ASN 49 1.077 -0.465 -12.093 400 H ILE 50 H ILE 50 -2.002 0.830 -7.290 401 HA ILE 50 HA ILE 50 -3.560 -1.471 -6.256 402 HB ILE 50 HB ILE 50 -4.047 1.512 -6.379 403 1HG1 ILE 50 2HG1 ILE 50 -2.281 -0.043 -4.785 404 2HG1 ILE 50 1HG1 ILE 50 -2.658 1.666 -4.614 405 1HG2 ILE 50 1HG2 ILE 50 -5.498 -0.659 -4.838 406 2HG2 ILE 50 2HG2 ILE 50 -6.148 0.257 -6.198 407 3HG2 ILE 50 3HG2 ILE 50 -5.791 1.072 -4.676 408 1HD1 ILE 50 1HD1 ILE 50 -3.086 0.390 -2.519 409 2HD1 ILE 50 2HD1 ILE 50 -4.274 -0.585 -3.380 410 3HD1 ILE 50 3HD1 ILE 50 -4.549 1.141 -3.155 411 H LYS 51 H LYS 51 -5.627 -2.123 -7.144 412 HA LYS 51 HA LYS 51 -6.778 -0.633 -9.403 413 1HB LYS 51 2HB LYS 51 -6.419 -2.650 -10.964 414 2HB LYS 51 1HB LYS 51 -5.011 -1.645 -10.627 415 1HG LYS 51 2HG LYS 51 -3.980 -3.265 -9.367 416 2HG LYS 51 1HG LYS 51 -5.504 -3.921 -8.772 417 1HD LYS 51 2HD LYS 51 -4.823 -4.194 -11.683 418 2HD LYS 51 1HD LYS 51 -4.092 -5.297 -10.516 419 1HE LYS 51 2HE LYS 51 -6.109 -6.317 -10.011 420 2HE LYS 51 1HE LYS 51 -7.051 -4.849 -10.345 421 1HZ LYS 51 1HZ LYS 51 -5.589 -6.398 -12.415 422 2HZ LYS 51 2HZ LYS 51 -6.636 -5.086 -12.672 423 3HZ LYS 51 3HZ LYS 51 -7.248 -6.566 -12.106 424 HA PRO 52 HA PRO 52 -10.016 -3.083 -7.398 425 1HB PRO 52 2HB PRO 52 -12.073 -1.449 -8.076 426 2HB PRO 52 1HB PRO 52 -10.983 -1.104 -6.721 427 1HG PRO 52 2HG PRO 52 -11.049 0.064 -9.438 428 2HG PRO 52 1HG PRO 52 -10.638 0.817 -7.894 429 1HD PRO 52 2HD PRO 52 -8.805 -0.014 -9.788 430 2HD PRO 52 1HD PRO 52 -8.446 0.247 -8.067 431 H VAL 53 H VAL 53 -11.352 -4.617 -8.203 432 HA VAL 53 HA VAL 53 -12.418 -4.416 -10.948 433 HB VAL 53 HB VAL 53 -11.369 -6.568 -11.574 434 1HG1 VAL 53 1HG1 VAL 53 -10.267 -4.274 -11.947 435 2HG1 VAL 53 2HG1 VAL 53 -9.192 -5.672 -12.014 436 3HG1 VAL 53 3HG1 VAL 53 -9.241 -4.663 -10.567 437 1HG2 VAL 53 1HG2 VAL 53 -11.015 -7.675 -9.509 438 2HG2 VAL 53 2HG2 VAL 53 -10.230 -6.269 -8.798 439 3HG2 VAL 53 3HG2 VAL 53 -9.388 -7.222 -10.016 440 H ALA 54 H ALA 54 -14.508 -4.916 -10.656 441 HA ALA 54 HA ALA 54 -15.887 -5.931 -8.544 442 1HB ALA 54 1HB ALA 54 -16.781 -7.127 -11.073 443 2HB ALA 54 2HB ALA 54 -16.393 -5.410 -11.194 444 3HB ALA 54 3HB ALA 54 -17.594 -5.963 -10.026 445 H ARG 55 H ARG 55 -16.113 -7.802 -7.437 446 HA ARG 55 HA ARG 55 -15.808 -10.450 -8.560 447 1HB ARG 55 2HB ARG 55 -13.444 -9.670 -8.577 448 2HB ARG 55 1HB ARG 55 -13.555 -9.327 -6.850 449 1HG ARG 55 2HG ARG 55 -13.441 -11.536 -6.266 450 2HG ARG 55 1HG ARG 55 -14.353 -12.063 -7.681 451 1HD ARG 55 2HD ARG 55 -11.998 -12.822 -7.831 452 2HD ARG 55 1HD ARG 55 -12.342 -11.632 -9.101 453 HE ARG 55 HE ARG 55 -11.241 -9.922 -7.698 454 1HH1 ARG 55 1HH2 ARG 55 -11.638 -12.116 -5.368 455 2HH1 ARG 55 2HH2 ARG 55 -9.970 -12.334 -4.955 456 1HH2 ARG 55 1HH1 ARG 55 -8.784 -10.665 -7.755 457 2HH2 ARG 55 2HH1 ARG 55 -8.355 -11.512 -6.306 458 H GLN 56 H GLN 56 -17.559 -11.173 -7.327 459 HA GLN 56 HA GLN 56 -18.325 -10.236 -4.786 460 1HB GLN 56 2HB GLN 56 -19.640 -12.336 -4.699 461 2HB GLN 56 1HB GLN 56 -19.736 -11.550 -6.274 462 1HG GLN 56 2HG GLN 56 -17.471 -13.397 -6.094 463 2HG GLN 56 1HG GLN 56 -19.018 -14.203 -5.828 464 1HE2 GLN 56 1HE2 GLN 56 -20.762 -13.660 -7.543 465 2HE2 GLN 56 2HE2 GLN 56 -20.235 -13.455 -9.144 466 H ALA 57 H ALA 57 -18.546 -12.589 -3.190 467 HA ALA 57 HA ALA 57 -15.781 -13.452 -2.540 468 1HB ALA 57 1HB ALA 57 -17.409 -11.325 -1.243 469 2HB ALA 57 2HB ALA 57 -15.658 -11.477 -1.349 470 3HB ALA 57 3HB ALA 57 -16.553 -12.415 -0.154 471 H ARG 58 H ARG 58 -15.846 -15.384 -1.192 472 HA ARG 58 HA ARG 58 -18.077 -16.081 0.430 473 1HB ARG 58 2HB ARG 58 -19.523 -16.739 -1.123 474 2HB ARG 58 1HB ARG 58 -18.384 -16.385 -2.394 475 1HG ARG 58 2HG ARG 58 -17.339 -18.646 -1.956 476 2HG ARG 58 1HG ARG 58 -18.704 -18.983 -0.887 477 1HD ARG 58 2HD ARG 58 -20.183 -19.207 -2.644 478 2HD ARG 58 1HD ARG 58 -19.405 -17.920 -3.582 479 HE ARG 58 HE ARG 58 -17.517 -19.611 -3.968 480 1HH1 ARG 58 1HH1 ARG 58 -18.688 -21.762 -2.222 481 2HH1 ARG 58 2HH1 ARG 58 -19.460 -22.786 -3.386 482 1HH2 ARG 58 1HH2 ARG 58 -19.402 -20.410 -5.910 483 2HH2 ARG 58 2HH2 ARG 58 -19.865 -22.020 -5.473 484 H LYS 59 H LYS 59 -18.027 -18.433 1.040 485 HA LYS 59 HA LYS 59 -15.667 -20.038 0.459 486 1HB LYS 59 2HB LYS 59 -15.276 -17.924 2.118 487 2HB LYS 59 1HB LYS 59 -15.771 -19.147 3.288 488 1HG LYS 59 2HG LYS 59 -13.779 -20.195 3.140 489 2HG LYS 59 1HG LYS 59 -13.891 -20.266 1.381 490 1HD LYS 59 2HD LYS 59 -11.936 -18.963 1.909 491 2HD LYS 59 1HD LYS 59 -13.167 -17.838 1.334 492 1HE LYS 59 2HE LYS 59 -12.838 -16.682 3.263 493 2HE LYS 59 1HE LYS 59 -13.617 -18.034 4.107 494 1HZ LYS 59 1HZ LYS 59 -11.340 -17.598 4.915 495 2HZ LYS 59 2HZ LYS 59 -10.741 -17.940 3.362 496 3HZ LYS 59 3HZ LYS 59 -11.513 -19.155 4.265 497 H GLY 60 H GLY 60 -18.725 -20.115 0.846 498 1HA GLY 60 2HA GLY 60 -20.346 -21.491 1.847 499 2HA GLY 60 1HA GLY 60 -19.090 -22.723 1.744 500 H PHE 61 H PHE 61 -20.128 -23.449 3.773 501 HA PHE 61 HA PHE 61 -20.137 -22.047 6.255 502 1HB PHE 61 2HB PHE 61 -21.070 -24.384 5.690 503 2HB PHE 61 1HB PHE 61 -19.451 -24.974 5.968 504 HD1 PHE 61 HD1 PHE 61 -20.949 -26.343 7.629 505 HD2 PHE 61 HD2 PHE 61 -19.963 -22.189 8.081 506 HE1 PHE 61 HE1 PHE 61 -21.378 -26.507 10.049 507 HE2 PHE 61 HE2 PHE 61 -20.392 -22.351 10.501 508 HZ PHE 61 HZ PHE 61 -21.109 -24.508 11.503 509 H ASN 62 H ASN 62 -18.261 -24.189 7.522 510 HA ASN 62 HA ASN 62 -15.634 -23.889 6.507 511 1HB ASN 62 2HB ASN 62 -15.676 -21.627 6.779 512 2HB ASN 62 1HB ASN 62 -16.772 -21.702 8.152 513 1HD2 ASN 62 1HD2 ASN 62 -13.619 -23.386 7.700 514 2HD2 ASN 62 2HD2 ASN 62 -12.874 -22.692 9.058 515 HA PRO 63 HA PRO 63 -15.056 -25.250 11.041 516 1HB PRO 63 2HB PRO 63 -17.149 -25.005 12.786 517 2HB PRO 63 1HB PRO 63 -15.949 -23.725 12.516 518 1HG PRO 63 2HG PRO 63 -18.697 -24.005 11.404 519 2HG PRO 63 1HG PRO 63 -17.863 -22.560 11.994 520 1HD PRO 63 2HD PRO 63 -18.121 -23.132 9.356 521 2HD PRO 63 1HD PRO 63 -16.743 -22.237 10.021 522 H GLN 64 H GLN 64 -17.413 -26.247 8.925 523 HA GLN 64 HA GLN 64 -17.499 -28.928 10.161 524 1HB GLN 64 2HB GLN 64 -19.464 -27.073 10.747 525 2HB GLN 64 1HB GLN 64 -20.182 -27.992 9.425 526 1HG GLN 64 2HG GLN 64 -19.309 -30.074 10.777 527 2HG GLN 64 1HG GLN 64 -19.303 -28.946 12.133 528 1HE2 GLN 64 1HE2 GLN 64 -21.519 -29.834 9.414 529 2HE2 GLN 64 2HE2 GLN 64 -22.928 -29.787 10.360 530 H THR 65 H THR 65 -16.407 -29.548 8.217 531 HA THR 65 HA THR 65 -16.230 -30.282 5.986 532 HB THR 65 HB THR 65 -18.183 -31.491 5.259 533 HG1 THR 65 HG1 THR 65 -20.200 -31.045 6.087 534 1HG2 THR 65 1HG2 THR 65 -18.506 -31.524 8.245 535 2HG2 THR 65 2HG2 THR 65 -16.992 -32.062 7.519 536 3HG2 THR 65 3HG2 THR 65 -18.504 -32.875 7.112 537 H GLN 66 H GLN 66 -17.316 -27.311 6.586 538 HA GLN 66 HA GLN 66 -17.851 -25.442 5.300 539 1HB GLN 66 2HB GLN 66 -16.631 -27.276 3.201 540 2HB GLN 66 1HB GLN 66 -16.836 -25.533 3.021 541 1HG GLN 66 2HG GLN 66 -14.660 -25.600 3.814 542 2HG GLN 66 1HG GLN 66 -15.539 -25.484 5.338 543 1HE2 GLN 66 1HE2 GLN 66 -14.821 -26.988 6.845 544 2HE2 GLN 66 2HE2 GLN 66 -14.214 -28.530 6.476 545 H GLU 67 H GLU 67 -19.641 -24.720 4.492 546 HA GLU 67 HA GLU 67 -21.294 -24.964 2.442 547 1HB GLU 67 2HB GLU 67 -22.799 -26.913 2.720 548 2HB GLU 67 1HB GLU 67 -21.131 -27.430 2.513 549 1HG GLU 67 2HG GLU 67 -21.174 -28.476 4.512 550 2HG GLU 67 1HG GLU 67 -21.640 -26.976 5.313 551 H ALA 68 H ALA 68 -21.649 -22.941 3.845 552 HA ALA 68 HA ALA 68 -24.244 -22.967 5.051 553 1HB ALA 68 1HB ALA 68 -22.041 -22.562 7.020 554 2HB ALA 68 2HB ALA 68 -22.676 -24.173 6.694 555 3HB ALA 68 3HB ALA 68 -23.735 -22.919 7.337 556 H LEU 69 H LEU 69 -22.165 -21.347 3.408 557 HA LEU 69 HA LEU 69 -23.243 -18.785 3.551 558 1HB LEU 69 2HB LEU 69 -21.379 -17.636 4.919 559 2HB LEU 69 1HB LEU 69 -22.576 -18.530 5.846 560 HG LEU 69 HG LEU 69 -20.549 -20.390 5.155 561 1HD1 LEU 69 1HD1 LEU 69 -19.482 -17.738 6.159 562 2HD1 LEU 69 2HD1 LEU 69 -18.997 -18.596 4.698 563 3HD1 LEU 69 3HD1 LEU 69 -18.591 -19.255 6.282 564 1HD2 LEU 69 1HD2 LEU 69 -21.710 -20.661 7.189 565 2HD2 LEU 69 2HD2 LEU 69 -21.442 -18.986 7.668 566 3HD2 LEU 69 3HD2 LEU 69 -20.108 -20.139 7.705 567 H GLU 70 H GLU 70 -22.682 -18.709 1.345 568 HA GLU 70 HA GLU 70 -19.767 -18.676 0.777 569 1HB GLU 70 2HB GLU 70 -20.200 -20.127 -1.131 570 2HB GLU 70 1HB GLU 70 -20.905 -20.868 0.297 571 1HG GLU 70 2HG GLU 70 -22.963 -19.264 -0.634 572 2HG GLU 70 1HG GLU 70 -22.228 -19.872 -2.118 573 H ILE 71 H ILE 71 -20.973 -16.237 1.030 574 HA ILE 71 HA ILE 71 -20.784 -15.229 -1.650 575 HB ILE 71 HB ILE 71 -22.998 -15.781 -1.867 576 1HG1 ILE 71 2HG1 ILE 71 -24.320 -13.743 -1.488 577 2HG1 ILE 71 1HG1 ILE 71 -23.027 -13.119 -0.466 578 1HG2 ILE 71 1HG2 ILE 71 -24.551 -15.227 0.222 579 2HG2 ILE 71 2HG2 ILE 71 -23.029 -15.445 1.087 580 3HG2 ILE 71 3HG2 ILE 71 -23.681 -16.756 0.101 581 1HD1 ILE 71 1HD1 ILE 71 -22.079 -12.269 -2.334 582 2HD1 ILE 71 2HD1 ILE 71 -23.201 -13.141 -3.376 583 3HD1 ILE 71 3HD1 ILE 71 -21.730 -13.930 -2.813 584 H ALA 72 H ALA 72 -20.528 -13.047 -1.669 585 HA ALA 72 HA ALA 72 -20.854 -11.226 0.510 586 1HB ALA 72 1HB ALA 72 -19.090 -12.037 1.723 587 2HB ALA 72 2HB ALA 72 -18.125 -11.119 0.568 588 3HB ALA 72 3HB ALA 72 -18.386 -12.846 0.325 589 HA PRO 73 HA PRO 73 -19.914 -8.800 -3.097 590 1HB PRO 73 2HB PRO 73 -20.726 -6.411 -2.033 591 2HB PRO 73 1HB PRO 73 -21.866 -7.693 -2.488 592 1HG PRO 73 2HG PRO 73 -21.122 -6.749 0.164 593 2HG PRO 73 1HG PRO 73 -22.477 -7.774 -0.323 594 1HD PRO 73 2HD PRO 73 -19.915 -8.560 0.825 595 2HD PRO 73 1HD PRO 73 -21.373 -9.541 0.560 596 H SER 74 H SER 74 -17.848 -8.038 -3.685 597 HA SER 74 HA SER 74 -16.544 -5.894 -2.232 598 1HB SER 74 2HB SER 74 -15.993 -8.723 -1.561 599 2HB SER 74 1HB SER 74 -14.560 -7.731 -1.813 600 HG SER 74 HG SER 74 -15.164 -6.429 -0.178 601 H VAL 75 H VAL 75 -15.903 -4.879 -4.138 602 HA VAL 75 HA VAL 75 -15.229 -6.031 -6.600 603 HB VAL 75 HB VAL 75 -15.265 -3.510 -5.426 604 1HG1 VAL 75 1HG1 VAL 75 -12.502 -3.889 -6.603 605 2HG1 VAL 75 2HG1 VAL 75 -12.804 -3.911 -4.866 606 3HG1 VAL 75 3HG1 VAL 75 -13.149 -2.458 -5.801 607 1HG2 VAL 75 1HG2 VAL 75 -14.236 -4.236 -8.181 608 2HG2 VAL 75 2HG2 VAL 75 -14.948 -2.696 -7.705 609 3HG2 VAL 75 3HG2 VAL 75 -15.938 -4.154 -7.732 610 H GLY 76 H GLY 76 -12.829 -5.841 -7.524 611 1HA GLY 76 2HA GLY 76 -11.180 -7.536 -5.721 612 2HA GLY 76 1HA GLY 76 -10.979 -7.413 -7.468 613 H VAL 77 H VAL 77 -11.139 -5.047 -4.816 614 HA VAL 77 HA VAL 77 -9.431 -3.086 -5.869 615 HB VAL 77 HB VAL 77 -10.773 -2.817 -3.846 616 1HG1 VAL 77 1HG1 VAL 77 -9.638 -5.357 -3.223 617 2HG1 VAL 77 2HG1 VAL 77 -10.876 -4.475 -2.333 618 3HG1 VAL 77 3HG1 VAL 77 -9.174 -4.242 -1.940 619 1HG2 VAL 77 1HG2 VAL 77 -8.109 -1.994 -4.081 620 2HG2 VAL 77 2HG2 VAL 77 -8.210 -2.656 -2.450 621 3HG2 VAL 77 3HG2 VAL 77 -9.294 -1.355 -2.944 622 H SER 78 H SER 78 -7.951 -4.785 -6.982 623 HA SER 78 HA SER 78 -5.996 -6.146 -5.347 624 1HB SER 78 2HB SER 78 -6.140 -7.054 -7.461 625 2HB SER 78 1HB SER 78 -6.499 -5.504 -8.211 626 HG SER 78 HG SER 78 -4.212 -6.751 -8.197 627 H VAL 79 H VAL 79 -3.616 -5.561 -5.788 628 HA VAL 79 HA VAL 79 -2.683 -2.954 -6.306 629 HB VAL 79 HB VAL 79 -3.886 -2.089 -4.456 630 1HG1 VAL 79 1HG1 VAL 79 -3.548 -4.830 -3.434 631 2HG1 VAL 79 2HG1 VAL 79 -4.903 -3.717 -3.250 632 3HG1 VAL 79 3HG1 VAL 79 -3.497 -3.576 -2.197 633 1HG2 VAL 79 1HG2 VAL 79 -2.290 -1.586 -2.705 634 2HG2 VAL 79 2HG2 VAL 79 -1.434 -1.599 -4.245 635 3HG2 VAL 79 3HG2 VAL 79 -1.300 -2.975 -3.151 636 H LYS 80 H LYS 80 -0.374 -2.753 -5.146 637 HA LYS 80 HA LYS 80 0.818 -5.142 -4.084 638 1HB LYS 80 2HB LYS 80 0.561 -4.771 -6.998 639 2HB LYS 80 1HB LYS 80 2.212 -5.101 -6.478 640 1HG LYS 80 2HG LYS 80 1.731 -7.264 -6.123 641 2HG LYS 80 1HG LYS 80 0.364 -6.840 -5.093 642 1HD LYS 80 2HD LYS 80 -0.893 -6.335 -7.292 643 2HD LYS 80 1HD LYS 80 0.403 -7.232 -8.084 644 1HE LYS 80 2HE LYS 80 -1.229 -8.352 -5.779 645 2HE LYS 80 1HE LYS 80 -1.588 -8.669 -7.488 646 1HZ LYS 80 1HZ LYS 80 -0.132 -10.383 -6.684 647 2HZ LYS 80 2HZ LYS 80 0.964 -9.236 -6.076 648 3HZ LYS 80 3HZ LYS 80 0.741 -9.397 -7.752 649 HA PRO 81 HA PRO 81 4.121 -2.231 -3.691 650 1HB PRO 81 2HB PRO 81 6.250 -3.915 -3.441 651 2HB PRO 81 1HB PRO 81 5.017 -3.754 -2.176 652 1HG PRO 81 2HG PRO 81 5.477 -5.948 -4.072 653 2HG PRO 81 1HG PRO 81 4.674 -5.963 -2.498 654 1HD PRO 81 2HD PRO 81 3.443 -5.925 -5.059 655 2HD PRO 81 1HD PRO 81 2.650 -5.807 -3.475 656 H GLY 82 H GLY 82 6.260 -1.657 -4.735 657 1HA GLY 82 2HA GLY 82 6.766 -2.873 -7.389 658 2HA GLY 82 1HA GLY 82 6.281 -1.173 -7.399 659 H GLU 83 H GLU 83 8.985 -2.810 -7.763 660 HA GLU 83 HA GLU 83 11.274 -2.426 -7.167 661 1HB GLU 83 2HB GLU 83 10.632 -0.257 -8.209 662 2HB GLU 83 1HB GLU 83 10.020 0.303 -6.650 663 1HG GLU 83 2HG GLU 83 12.121 0.526 -5.742 664 2HG GLU 83 1HG GLU 83 12.810 -0.740 -6.758 665 H SER 84 H SER 84 9.363 -3.352 -5.232 666 HA SER 84 HA SER 84 8.919 -3.159 -2.842 667 1HB SER 84 2HB SER 84 9.786 -5.278 -3.186 668 2HB SER 84 1HB SER 84 11.277 -4.654 -3.868 669 HG SER 84 HG SER 84 10.688 -4.170 -1.163 670 H LEU 85 H LEU 85 9.810 -0.636 -3.467 671 HA LEU 85 HA LEU 85 11.619 0.932 -2.887 672 1HB LEU 85 2HB LEU 85 11.098 0.328 -0.034 673 2HB LEU 85 1HB LEU 85 10.854 1.829 -0.906 674 HG LEU 85 HG LEU 85 8.715 1.134 -0.101 675 1HD1 LEU 85 1HD1 LEU 85 9.253 1.393 -2.856 676 2HD1 LEU 85 2HD1 LEU 85 7.726 1.687 -2.022 677 3HD1 LEU 85 3HD1 LEU 85 8.068 0.096 -2.702 678 1HD2 LEU 85 1HD2 LEU 85 9.714 -1.432 -0.251 679 2HD2 LEU 85 2HD2 LEU 85 8.483 -1.415 -1.514 680 3HD2 LEU 85 3HD2 LEU 85 8.051 -0.998 0.144 681 H LYS 86 H LYS 86 12.155 -1.892 -3.211 682 HA LYS 86 HA LYS 86 13.972 -3.118 -1.366 683 1HB LYS 86 2HB LYS 86 12.848 -4.375 -3.092 684 2HB LYS 86 1HB LYS 86 13.209 -3.163 -4.308 685 1HG LYS 86 2HG LYS 86 15.725 -4.013 -3.486 686 2HG LYS 86 1HG LYS 86 14.771 -5.496 -3.484 687 1HD LYS 86 2HD LYS 86 14.004 -5.036 -5.774 688 2HD LYS 86 1HD LYS 86 14.909 -3.523 -5.786 689 1HE LYS 86 2HE LYS 86 17.019 -4.858 -5.386 690 2HE LYS 86 1HE LYS 86 16.056 -6.332 -5.617 691 1HZ LYS 86 1HZ LYS 86 16.907 -5.720 -7.737 692 2HZ LYS 86 2HZ LYS 86 16.428 -4.101 -7.542 693 3HZ LYS 86 3HZ LYS 86 15.260 -5.319 -7.739 694 H LYS 87 H LYS 87 14.094 -1.261 -4.254 695 HA LYS 87 HA LYS 87 16.872 -0.967 -4.488 696 1HB LYS 87 2HB LYS 87 15.036 -0.586 -6.186 697 2HB LYS 87 1HB LYS 87 14.582 0.861 -5.287 698 1HG LYS 87 2HG LYS 87 17.448 0.795 -5.899 699 2HG LYS 87 1HG LYS 87 16.453 0.752 -7.354 700 1HD LYS 87 2HD LYS 87 15.284 2.664 -5.591 701 2HD LYS 87 1HD LYS 87 17.016 2.991 -5.647 702 1HE LYS 87 2HE LYS 87 15.856 2.388 -8.290 703 2HE LYS 87 1HE LYS 87 15.220 3.866 -7.542 704 1HZ LYS 87 1HZ LYS 87 17.516 4.517 -7.031 705 2HZ LYS 87 2HZ LYS 87 17.261 4.367 -8.705 706 3HZ LYS 87 3HZ LYS 87 18.088 3.150 -7.856 707 H ALA 88 H ALA 88 14.288 0.661 -2.731 708 HA ALA 88 HA ALA 88 16.111 2.775 -1.754 709 1HB ALA 88 1HB ALA 88 13.704 3.156 -2.164 710 2HB ALA 88 2HB ALA 88 14.078 3.396 -0.458 711 3HB ALA 88 3HB ALA 88 13.300 1.906 -0.989 712 H ALA 89 H ALA 89 14.852 -0.340 -0.826 713 HA ALA 89 HA ALA 89 15.693 -0.210 1.943 714 1HB ALA 89 1HB ALA 89 15.081 -2.649 0.229 715 2HB ALA 89 2HB ALA 89 13.823 -1.608 0.896 716 3HB ALA 89 3HB ALA 89 14.890 -2.501 1.978 717 H GLU 90 H GLU 90 17.146 -1.067 -1.101 718 HA GLU 90 HA GLU 90 19.490 -2.390 -0.011 719 1HB GLU 90 2HB GLU 90 19.524 -2.742 -2.282 720 2HB GLU 90 1HB GLU 90 18.415 -1.404 -2.565 721 1HG GLU 90 2HG GLU 90 20.169 0.178 -2.677 722 2HG GLU 90 1HG GLU 90 21.322 -0.921 -1.921 723 H GLY 91 H GLY 91 18.279 0.856 -0.537 724 1HA GLY 91 2HA GLY 91 20.634 2.395 -0.180 725 2HA GLY 91 1HA GLY 91 19.009 2.934 0.251 726 H LEU 92 H LEU 92 18.262 1.231 2.344 727 HA LEU 92 HA LEU 92 20.073 2.203 4.468 728 1HB LEU 92 2HB LEU 92 18.318 1.647 5.898 729 2HB LEU 92 1HB LEU 92 17.457 1.918 4.393 730 HG LEU 92 HG LEU 92 18.049 -0.729 4.136 731 1HD1 LEU 92 1HD1 LEU 92 18.682 -0.149 6.819 732 2HD1 LEU 92 2HD1 LEU 92 18.477 -1.749 6.104 733 3HD1 LEU 92 3HD1 LEU 92 17.109 -0.946 6.877 734 1HD2 LEU 92 1HD2 LEU 92 15.833 0.017 3.782 735 2HD2 LEU 92 2HD2 LEU 92 15.703 0.678 5.410 736 3HD2 LEU 92 3HD2 LEU 92 15.698 -1.068 5.163 737 H LYS 93 H LYS 93 20.793 -0.073 2.430 738 HA LYS 93 HA LYS 93 22.269 -1.910 2.545 739 1HB LYS 93 2HB LYS 93 22.681 -0.457 4.873 740 2HB LYS 93 1HB LYS 93 22.313 -2.069 5.481 741 1HG LYS 93 2HG LYS 93 24.683 -2.010 5.132 742 2HG LYS 93 1HG LYS 93 24.011 -2.958 3.805 743 1HD LYS 93 2HD LYS 93 25.522 -1.459 2.758 744 2HD LYS 93 1HD LYS 93 23.932 -0.744 2.492 745 1HE LYS 93 2HE LYS 93 24.833 1.150 3.392 746 2HE LYS 93 1HE LYS 93 24.696 0.316 4.953 747 1HZ LYS 93 1HZ LYS 93 26.863 -0.752 4.447 748 2HZ LYS 93 2HZ LYS 93 26.970 0.932 4.649 749 3HZ LYS 93 3HZ LYS 93 27.010 0.256 3.091 750 H TYR 94 H TYR 94 19.987 -2.757 1.893 751 HA TYR 94 HA TYR 94 18.163 -4.094 3.499 752 1HB TYR 94 2HB TYR 94 17.487 -4.462 1.372 753 2HB TYR 94 1HB TYR 94 19.103 -4.117 0.763 754 HD1 TYR 94 HD1 TYR 94 20.414 -5.831 -0.132 755 HD2 TYR 94 HD2 TYR 94 17.093 -6.797 2.405 756 HE1 TYR 94 HE1 TYR 94 20.774 -8.248 -0.586 757 HE2 TYR 94 HE2 TYR 94 17.448 -9.213 1.954 758 HH TYR 94 HH TYR 94 19.999 -10.551 1.008 759 H GLU 95 H GLU 95 21.398 -5.189 2.545 760 HA GLU 95 HA GLU 95 21.239 -7.867 3.530 761 1HB GLU 95 2HB GLU 95 23.713 -7.706 3.486 762 2HB GLU 95 1HB GLU 95 22.999 -7.003 2.036 763 1HG GLU 95 2HG GLU 95 23.076 -4.761 3.352 764 2HG GLU 95 1HG GLU 95 24.219 -5.594 4.404 765 H ASP 96 H ASP 96 22.186 -4.820 5.116 766 HA ASP 96 HA ASP 96 23.006 -5.884 7.627 767 1HB ASP 96 2HB ASP 96 21.639 -3.311 6.787 768 2HB ASP 96 1HB ASP 96 22.226 -3.580 8.425 769 H PHE 97 H PHE 97 19.840 -5.192 6.249 770 HA PHE 97 HA PHE 97 18.319 -5.683 8.682 771 1HB PHE 97 2HB PHE 97 17.905 -4.679 6.109 772 2HB PHE 97 1HB PHE 97 16.981 -6.180 6.122 773 HD1 PHE 97 HD1 PHE 97 16.560 -2.840 6.570 774 HD2 PHE 97 HD2 PHE 97 15.904 -6.504 8.712 775 HE1 PHE 97 HE1 PHE 97 14.785 -1.740 7.908 776 HE2 PHE 97 HE2 PHE 97 14.128 -5.406 10.049 777 HZ PHE 97 HZ PHE 97 13.569 -3.023 9.649 778 H ALA 98 H ALA 98 19.681 -7.652 6.133 779 HA ALA 98 HA ALA 98 18.081 -10.027 6.564 780 1HB ALA 98 1HB ALA 98 19.568 -10.957 4.973 781 2HB ALA 98 2HB ALA 98 20.901 -9.925 5.492 782 3HB ALA 98 3HB ALA 98 19.564 -9.240 4.570 783 H LYS 99 H LYS 99 21.013 -8.711 7.997 784 HA LYS 99 HA LYS 99 21.936 -11.119 9.289 785 1HB LYS 99 2HB LYS 99 22.296 -8.151 9.792 786 2HB LYS 99 1HB LYS 99 23.178 -9.387 10.689 787 1HG LYS 99 2HG LYS 99 24.393 -10.069 8.823 788 2HG LYS 99 1HG LYS 99 23.177 -9.480 7.690 789 1HD LYS 99 2HD LYS 99 24.214 -7.488 7.524 790 2HD LYS 99 1HD LYS 99 24.193 -7.284 9.277 791 1HE LYS 99 2HE LYS 99 26.200 -9.157 8.036 792 2HE LYS 99 1HE LYS 99 26.514 -7.410 8.057 793 1HZ LYS 99 1HZ LYS 99 26.030 -7.394 10.432 794 2HZ LYS 99 2HZ LYS 99 27.321 -8.444 10.089 795 3HZ LYS 99 3HZ LYS 99 25.775 -9.070 10.410 796 1H MET 1 1H MET 1 -4.680 6.477 -11.538 797 2H MET 1 2H MET 1 -6.188 6.958 -10.921 798 3H MET 1 3H MET 1 -5.170 5.957 -10.001 799 HA MET 1 HA MET 1 -4.793 8.824 -10.652 800 1HB MET 1 2HB MET 1 -5.471 7.084 -8.327 801 2HB MET 1 1HB MET 1 -4.471 8.499 -7.998 802 1HG MET 1 2HG MET 1 -6.143 9.986 -8.566 803 2HG MET 1 1HG MET 1 -6.887 8.875 -9.715 804 1HE MET 1 1HE MET 1 -5.949 8.132 -5.777 805 2HE MET 1 2HE MET 1 -7.277 9.138 -5.201 806 3HE MET 1 3HE MET 1 -6.060 9.826 -6.273 807 H ASN 2 H ASN 2 -2.774 9.521 -9.091 808 HA ASN 2 HA ASN 2 -0.633 7.641 -8.790 809 1HB ASN 2 2HB ASN 2 0.763 8.612 -10.708 810 2HB ASN 2 1HB ASN 2 -0.568 7.554 -11.170 811 1HD2 ASN 2 1HD2 ASN 2 0.701 10.776 -11.461 812 2HD2 ASN 2 2HD2 ASN 2 -0.590 11.425 -12.352 813 H LYS 3 H LYS 3 1.601 9.216 -9.077 814 HA LYS 3 HA LYS 3 1.706 10.785 -6.759 815 1HB LYS 3 2HB LYS 3 3.432 9.928 -8.675 816 2HB LYS 3 1HB LYS 3 3.378 11.649 -9.054 817 1HG LYS 3 2HG LYS 3 4.451 12.240 -7.128 818 2HG LYS 3 1HG LYS 3 3.618 11.016 -6.172 819 1HD LYS 3 2HD LYS 3 5.241 9.557 -7.938 820 2HD LYS 3 1HD LYS 3 6.249 10.903 -7.416 821 1HE LYS 3 2HE LYS 3 6.387 8.838 -5.923 822 2HE LYS 3 1HE LYS 3 5.921 10.321 -5.070 823 1HZ LYS 3 1HZ LYS 3 3.736 8.852 -6.305 824 2HZ LYS 3 2HZ LYS 3 3.813 9.610 -4.787 825 3HZ LYS 3 3HZ LYS 3 4.478 8.064 -5.001 826 H THR 4 H THR 4 0.082 11.610 -9.676 827 HA THR 4 HA THR 4 0.085 14.515 -8.891 828 HB THR 4 HB THR 4 -0.485 13.195 -11.569 829 HG1 THR 4 HG1 THR 4 1.785 14.656 -10.710 830 1HG2 THR 4 1HG2 THR 4 -1.531 15.223 -11.802 831 2HG2 THR 4 2HG2 THR 4 0.116 15.746 -12.151 832 3HG2 THR 4 3HG2 THR 4 -0.563 15.986 -10.541 833 H GLU 5 H GLU 5 -1.913 11.856 -10.154 834 HA GLU 5 HA GLU 5 -4.433 13.192 -9.981 835 1HB GLU 5 2HB GLU 5 -3.393 10.691 -10.713 836 2HB GLU 5 1HB GLU 5 -4.519 10.346 -9.405 837 1HG GLU 5 2HG GLU 5 -5.195 12.044 -11.822 838 2HG GLU 5 1HG GLU 5 -5.595 10.333 -11.673 839 H LEU 6 H LEU 6 -2.810 10.950 -7.712 840 HA LEU 6 HA LEU 6 -4.713 11.248 -5.573 841 1HB LEU 6 2HB LEU 6 -1.881 10.323 -5.924 842 2HB LEU 6 1HB LEU 6 -2.460 10.597 -4.282 843 HG LEU 6 HG LEU 6 -4.146 9.005 -6.184 844 1HD1 LEU 6 1HD1 LEU 6 -1.495 8.261 -5.130 845 2HD1 LEU 6 2HD1 LEU 6 -2.424 7.544 -6.447 846 3HD1 LEU 6 3HD1 LEU 6 -2.766 7.089 -4.778 847 1HD2 LEU 6 1HD2 LEU 6 -4.709 7.872 -3.998 848 2HD2 LEU 6 2HD2 LEU 6 -5.121 9.587 -4.046 849 3HD2 LEU 6 3HD2 LEU 6 -3.676 9.051 -3.189 850 H ILE 7 H ILE 7 -1.927 13.150 -6.622 851 HA ILE 7 HA ILE 7 -1.488 14.756 -4.334 852 HB ILE 7 HB ILE 7 -1.109 14.918 -7.267 853 1HG1 ILE 7 2HG1 ILE 7 0.519 15.708 -4.847 854 2HG1 ILE 7 1HG1 ILE 7 0.672 14.213 -5.757 855 1HG2 ILE 7 1HG2 ILE 7 -0.396 17.417 -6.896 856 2HG2 ILE 7 2HG2 ILE 7 -1.559 17.360 -5.575 857 3HG2 ILE 7 3HG2 ILE 7 -2.087 17.046 -7.227 858 1HD1 ILE 7 1HD1 ILE 7 2.359 15.420 -6.767 859 2HD1 ILE 7 2HD1 ILE 7 1.564 16.966 -6.479 860 3HD1 ILE 7 3HD1 ILE 7 1.010 15.921 -7.786 861 H LYS 8 H LYS 8 -3.671 15.340 -7.084 862 HA LYS 8 HA LYS 8 -5.050 17.581 -5.980 863 1HB LYS 8 2HB LYS 8 -6.141 15.397 -7.780 864 2HB LYS 8 1HB LYS 8 -6.732 17.052 -7.669 865 1HG LYS 8 2HG LYS 8 -4.651 17.913 -8.587 866 2HG LYS 8 1HG LYS 8 -3.939 16.301 -8.583 867 1HD LYS 8 2HD LYS 8 -6.284 17.257 -10.247 868 2HD LYS 8 1HD LYS 8 -4.700 16.749 -10.832 869 1HE LYS 8 2HE LYS 8 -5.457 14.537 -9.392 870 2HE LYS 8 1HE LYS 8 -7.015 15.092 -10.032 871 1HZ LYS 8 1HZ LYS 8 -5.795 15.400 -12.213 872 2HZ LYS 8 2HZ LYS 8 -6.084 13.795 -11.738 873 3HZ LYS 8 3HZ LYS 8 -4.540 14.478 -11.541 874 H ALA 9 H ALA 9 -5.525 14.071 -5.657 875 HA ALA 9 HA ALA 9 -8.030 13.984 -4.355 876 1HB ALA 9 1HB ALA 9 -5.659 12.381 -3.442 877 2HB ALA 9 2HB ALA 9 -6.264 12.190 -5.087 878 3HB ALA 9 3HB ALA 9 -7.316 11.846 -3.715 879 H ILE 10 H ILE 10 -4.827 14.863 -3.108 880 HA ILE 10 HA ILE 10 -5.969 15.304 -0.414 881 HB ILE 10 HB ILE 10 -3.369 14.676 -1.666 882 1HG1 ILE 10 2HG1 ILE 10 -2.973 13.679 0.576 883 2HG1 ILE 10 1HG1 ILE 10 -4.481 14.398 1.139 884 1HG2 ILE 10 1HG2 ILE 10 -2.470 16.726 -1.069 885 2HG2 ILE 10 2HG2 ILE 10 -2.233 15.835 0.434 886 3HG2 ILE 10 3HG2 ILE 10 -3.591 16.947 0.273 887 1HD1 ILE 10 1HD1 ILE 10 -5.442 12.462 0.460 888 2HD1 ILE 10 2HD1 ILE 10 -4.055 12.018 -0.534 889 3HD1 ILE 10 3HD1 ILE 10 -5.279 13.116 -1.167 890 H ALA 11 H ALA 11 -4.520 16.892 -3.217 891 HA ALA 11 HA ALA 11 -4.298 19.535 -2.133 892 1HB ALA 11 1HB ALA 11 -3.743 20.034 -4.291 893 2HB ALA 11 2HB ALA 11 -5.133 19.174 -4.950 894 3HB ALA 11 3HB ALA 11 -3.696 18.281 -4.454 895 H GLN 12 H GLN 12 -7.019 17.633 -3.218 896 HA GLN 12 HA GLN 12 -8.827 19.976 -3.152 897 1HB GLN 12 2HB GLN 12 -10.398 18.483 -4.191 898 2HB GLN 12 1HB GLN 12 -8.841 18.077 -4.907 899 1HG GLN 12 2HG GLN 12 -8.602 16.238 -3.223 900 2HG GLN 12 1HG GLN 12 -10.229 16.602 -2.651 901 1HE2 GLN 12 1HE2 GLN 12 -11.819 15.345 -3.618 902 2HE2 GLN 12 2HE2 GLN 12 -11.713 14.654 -5.165 903 H ASP 13 H ASP 13 -8.196 16.907 -1.439 904 HA ASP 13 HA ASP 13 -10.285 17.250 0.541 905 1HB ASP 13 2HB ASP 13 -7.803 15.638 0.124 906 2HB ASP 13 1HB ASP 13 -8.379 15.778 1.786 907 H THR 14 H THR 14 -7.181 18.601 -0.088 908 HA THR 14 HA THR 14 -6.920 19.858 2.584 909 HB THR 14 HB THR 14 -4.758 20.635 1.461 910 HG1 THR 14 HG1 THR 14 -4.444 20.217 -0.525 911 1HG2 THR 14 1HG2 THR 14 -4.838 18.628 2.883 912 2HG2 THR 14 2HG2 THR 14 -3.698 18.429 1.559 913 3HG2 THR 14 3HG2 THR 14 -5.284 17.662 1.483 914 H GLY 15 H GLY 15 -6.151 21.131 -0.640 915 1HA GLY 15 2HA GLY 15 -6.793 23.145 -1.686 916 2HA GLY 15 1HA GLY 15 -8.332 22.989 -0.835 917 H LEU 16 H LEU 16 -5.671 22.931 1.266 918 HA LEU 16 HA LEU 16 -6.393 25.508 2.462 919 1HB LEU 16 2HB LEU 16 -4.067 23.617 2.975 920 2HB LEU 16 1HB LEU 16 -4.592 24.913 4.046 921 HG LEU 16 HG LEU 16 -6.919 23.534 3.702 922 1HD1 LEU 16 1HD1 LEU 16 -5.436 21.817 2.458 923 2HD1 LEU 16 2HD1 LEU 16 -6.516 21.201 3.703 924 3HD1 LEU 16 3HD1 LEU 16 -4.805 21.423 4.048 925 1HD2 LEU 16 1HD2 LEU 16 -4.808 23.742 5.747 926 2HD2 LEU 16 2HD2 LEU 16 -5.772 22.272 5.893 927 3HD2 LEU 16 3HD2 LEU 16 -6.558 23.850 5.938 928 H THR 17 H THR 17 -3.460 24.123 1.067 929 HA THR 17 HA THR 17 -2.762 26.726 -0.132 930 HB THR 17 HB THR 17 -1.937 26.021 2.386 931 HG1 THR 17 HG1 THR 17 -0.417 27.664 2.085 932 1HG2 THR 17 1HG2 THR 17 0.248 25.196 0.456 933 2HG2 THR 17 2HG2 THR 17 -0.595 24.159 1.605 934 3HG2 THR 17 3HG2 THR 17 0.464 25.435 2.184 935 H GLN 18 H GLN 18 -3.097 23.471 -0.532 936 HA GLN 18 HA GLN 18 -2.168 21.903 -2.041 937 1HB GLN 18 2HB GLN 18 -0.848 24.316 -3.321 938 2HB GLN 18 1HB GLN 18 -1.407 22.842 -4.111 939 1HG GLN 18 2HG GLN 18 -3.758 23.544 -3.239 940 2HG GLN 18 1HG GLN 18 -3.033 25.140 -3.045 941 1HE2 GLN 18 1HE2 GLN 18 -2.514 26.347 -4.965 942 2HE2 GLN 18 2HE2 GLN 18 -2.950 25.822 -6.520 943 H VAL 19 H VAL 19 -0.854 23.000 0.380 944 HA VAL 19 HA VAL 19 1.492 23.521 1.070 945 HB VAL 19 HB VAL 19 0.357 21.925 2.389 946 1HG1 VAL 19 1HG1 VAL 19 0.647 19.393 1.405 947 2HG1 VAL 19 2HG1 VAL 19 0.392 20.316 -0.076 948 3HG1 VAL 19 3HG1 VAL 19 -0.804 20.375 1.214 949 1HG2 VAL 19 1HG2 VAL 19 2.913 21.850 2.490 950 2HG2 VAL 19 2HG2 VAL 19 2.796 20.343 1.588 951 3HG2 VAL 19 3HG2 VAL 19 2.054 20.478 3.176 952 H SER 20 H SER 20 2.119 20.350 -0.039 953 HA SER 20 HA SER 20 4.081 21.310 -2.005 954 1HB SER 20 2HB SER 20 5.639 20.605 -0.499 955 2HB SER 20 1HB SER 20 4.383 20.009 0.572 956 HG SER 20 HG SER 20 5.759 18.349 -0.140 957 H VAL 21 H VAL 21 1.243 20.146 -2.016 958 HA VAL 21 HA VAL 21 0.650 17.645 -2.571 959 HB VAL 21 HB VAL 21 -0.425 18.436 -4.719 960 1HG1 VAL 21 1HG1 VAL 21 -0.694 20.284 -2.335 961 2HG1 VAL 21 2HG1 VAL 21 -1.492 18.720 -2.499 962 3HG1 VAL 21 3HG1 VAL 21 -1.899 20.037 -3.598 963 1HG2 VAL 21 1HG2 VAL 21 -0.220 20.911 -5.150 964 2HG2 VAL 21 2HG2 VAL 21 1.247 19.998 -5.502 965 3HG2 VAL 21 3HG2 VAL 21 1.130 20.939 -4.015 966 H SER 22 H SER 22 2.864 19.524 -4.475 967 HA SER 22 HA SER 22 3.535 17.310 -6.288 968 1HB SER 22 2HB SER 22 3.958 20.133 -6.062 969 2HB SER 22 1HB SER 22 5.532 19.361 -6.231 970 HG SER 22 HG SER 22 4.608 18.222 -8.045 971 H LYS 23 H LYS 23 4.948 18.739 -3.353 972 HA LYS 23 HA LYS 23 7.111 16.742 -3.516 973 1HB LYS 23 2HB LYS 23 7.351 18.287 -1.143 974 2HB LYS 23 1HB LYS 23 8.367 18.333 -2.572 975 1HG LYS 23 2HG LYS 23 5.776 19.865 -2.376 976 2HG LYS 23 1HG LYS 23 7.318 20.544 -1.883 977 1HD LYS 23 2HD LYS 23 8.130 20.600 -4.057 978 2HD LYS 23 1HD LYS 23 7.047 19.313 -4.603 979 1HE LYS 23 2HE LYS 23 5.126 20.782 -4.488 980 2HE LYS 23 1HE LYS 23 6.096 22.058 -3.728 981 1HZ LYS 23 1HZ LYS 23 7.400 22.309 -5.650 982 2HZ LYS 23 2HZ LYS 23 5.806 22.222 -6.230 983 3HZ LYS 23 3HZ LYS 23 6.829 20.871 -6.345 984 H MET 24 H MET 24 4.141 17.328 -1.591 985 HA MET 24 HA MET 24 5.010 15.434 0.430 986 1HB MET 24 2HB MET 24 2.211 15.337 0.388 987 2HB MET 24 1HB MET 24 3.207 16.314 1.446 988 1HG MET 24 2HG MET 24 2.749 18.249 0.298 989 2HG MET 24 1HG MET 24 2.693 17.419 -1.254 990 1HE MET 24 1HE MET 24 0.319 14.984 -0.669 991 2HE MET 24 2HE MET 24 1.431 15.772 -1.784 992 3HE MET 24 3HE MET 24 -0.303 16.029 -1.954 993 H LEU 25 H LEU 25 3.287 15.166 -2.704 994 HA LEU 25 HA LEU 25 2.893 12.282 -2.239 995 1HB LEU 25 2HB LEU 25 2.430 14.196 -4.528 996 2HB LEU 25 1HB LEU 25 2.154 12.465 -4.700 997 HG LEU 25 HG LEU 25 0.508 14.488 -3.374 998 1HD1 LEU 25 1HD1 LEU 25 -0.099 11.571 -3.915 999 2HD1 LEU 25 2HD1 LEU 25 -0.114 12.786 -5.189 1000 3HD1 LEU 25 3HD1 LEU 25 -1.237 12.914 -3.838 1001 1HD2 LEU 25 1HD2 LEU 25 -0.202 13.075 -1.476 1002 2HD2 LEU 25 2HD2 LEU 25 1.494 13.525 -1.317 1003 3HD2 LEU 25 3HD2 LEU 25 1.058 11.907 -1.868 1004 H ALA 26 H ALA 26 5.045 14.361 -4.187 1005 HA ALA 26 HA ALA 26 6.491 12.189 -5.420 1006 1HB ALA 26 1HB ALA 26 7.332 15.009 -4.645 1007 2HB ALA 26 2HB ALA 26 6.557 14.555 -6.163 1008 3HB ALA 26 3HB ALA 26 8.182 13.977 -5.795 1009 H SER 27 H SER 27 6.709 13.910 -2.341 1010 HA SER 27 HA SER 27 9.126 12.437 -1.531 1011 1HB SER 27 2HB SER 27 8.502 14.853 -0.917 1012 2HB SER 27 1HB SER 27 7.328 14.148 0.194 1013 HG SER 27 HG SER 27 9.913 14.517 0.566 1014 H PHE 28 H PHE 28 5.631 12.280 -1.161 1015 HA PHE 28 HA PHE 28 5.342 10.561 1.069 1016 1HB PHE 28 2HB PHE 28 3.375 11.350 0.062 1017 2HB PHE 28 1HB PHE 28 3.963 11.021 -1.558 1018 HD1 PHE 28 HD1 PHE 28 2.014 9.816 1.204 1019 HD2 PHE 28 HD2 PHE 28 4.108 8.555 -2.327 1020 HE1 PHE 28 HE1 PHE 28 0.659 7.774 1.141 1021 HE2 PHE 28 HE2 PHE 28 2.759 6.508 -2.380 1022 HZ PHE 28 HZ PHE 28 1.033 6.087 -0.647 1023 H GLU 29 H GLU 29 6.124 9.767 -2.328 1024 HA GLU 29 HA GLU 29 6.457 6.942 -1.760 1025 1HB GLU 29 2HB GLU 29 6.030 8.019 -4.013 1026 2HB GLU 29 1HB GLU 29 7.683 8.638 -3.955 1027 1HG GLU 29 2HG GLU 29 7.874 5.929 -3.249 1028 2HG GLU 29 1HG GLU 29 6.754 5.985 -4.602 1029 H LYS 30 H LYS 30 8.464 9.846 -1.906 1030 HA LYS 30 HA LYS 30 10.999 8.596 -1.481 1031 1HB LYS 30 2HB LYS 30 10.393 11.022 -2.125 1032 2HB LYS 30 1HB LYS 30 10.142 11.284 -0.396 1033 1HG LYS 30 2HG LYS 30 12.410 10.698 0.113 1034 2HG LYS 30 1HG LYS 30 12.691 10.111 -1.526 1035 1HD LYS 30 2HD LYS 30 13.624 12.215 -1.721 1036 2HD LYS 30 1HD LYS 30 11.957 12.601 -2.150 1037 1HE LYS 30 2HE LYS 30 11.723 13.923 -0.321 1038 2HE LYS 30 1HE LYS 30 12.354 12.653 0.746 1039 1HZ LYS 30 1HZ LYS 30 14.597 13.179 -0.123 1040 2HZ LYS 30 2HZ LYS 30 13.901 14.464 0.745 1041 3HZ LYS 30 3HZ LYS 30 13.940 14.503 -0.953 1042 H ILE 31 H ILE 31 8.261 9.094 0.623 1043 HA ILE 31 HA ILE 31 10.000 8.389 2.939 1044 HB ILE 31 HB ILE 31 7.902 9.129 4.199 1045 1HG1 ILE 31 2HG1 ILE 31 7.117 11.131 2.402 1046 2HG1 ILE 31 1HG1 ILE 31 7.023 9.599 1.545 1047 1HG2 ILE 31 1HG2 ILE 31 8.776 11.356 4.303 1048 2HG2 ILE 31 2HG2 ILE 31 9.424 11.225 2.667 1049 3HG2 ILE 31 3HG2 ILE 31 10.138 10.285 3.977 1050 1HD1 ILE 31 1HD1 ILE 31 4.978 10.313 2.971 1051 2HD1 ILE 31 2HD1 ILE 31 5.975 9.827 4.342 1052 3HD1 ILE 31 3HD1 ILE 31 5.552 8.651 3.098 1053 H ILE 32 H ILE 32 7.285 7.431 1.018 1054 HA ILE 32 HA ILE 32 6.477 5.216 2.722 1055 HB ILE 32 HB ILE 32 6.123 5.717 -0.257 1056 1HG1 ILE 32 2HG1 ILE 32 5.085 7.176 1.871 1057 2HG1 ILE 32 1HG1 ILE 32 4.443 7.135 0.232 1058 1HG2 ILE 32 1HG2 ILE 32 5.728 3.401 0.184 1059 2HG2 ILE 32 2HG2 ILE 32 4.137 4.156 0.097 1060 3HG2 ILE 32 3HG2 ILE 32 4.840 3.761 1.665 1061 1HD1 ILE 32 1HD1 ILE 32 2.899 5.386 0.800 1062 2HD1 ILE 32 2HD1 ILE 32 2.744 6.645 2.024 1063 3HD1 ILE 32 3HD1 ILE 32 3.643 5.171 2.384 1064 H THR 33 H THR 33 8.030 5.457 -0.422 1065 HA THR 33 HA THR 33 9.062 2.824 -0.431 1066 HB THR 33 HB THR 33 9.178 5.343 -1.972 1067 HG1 THR 33 HG1 THR 33 7.828 3.899 -2.772 1068 1HG2 THR 33 1HG2 THR 33 10.995 4.416 -3.427 1069 2HG2 THR 33 2HG2 THR 33 11.353 3.281 -2.126 1070 3HG2 THR 33 3HG2 THR 33 11.523 5.016 -1.856 1071 H GLU 34 H GLU 34 10.388 6.008 0.539 1072 HA GLU 34 HA GLU 34 13.028 4.924 1.066 1073 1HB GLU 34 2HB GLU 34 11.552 7.461 1.698 1074 2HB GLU 34 1HB GLU 34 13.251 7.230 2.093 1075 1HG GLU 34 2HG GLU 34 12.104 6.876 -0.702 1076 2HG GLU 34 1HG GLU 34 12.903 8.350 -0.150 1077 H THR 35 H THR 35 10.190 5.697 3.270 1078 HA THR 35 HA THR 35 11.765 5.264 5.649 1079 HB THR 35 HB THR 35 8.799 4.818 5.223 1080 HG1 THR 35 HG1 THR 35 10.354 7.044 6.046 1081 1HG2 THR 35 1HG2 THR 35 10.469 4.146 7.386 1082 2HG2 THR 35 2HG2 THR 35 8.711 4.257 7.416 1083 3HG2 THR 35 3HG2 THR 35 9.690 5.653 7.862 1084 H VAL 36 H VAL 36 9.613 2.988 3.893 1085 HA VAL 36 HA VAL 36 10.181 0.711 5.503 1086 HB VAL 36 HB VAL 36 9.248 1.370 2.776 1087 1HG1 VAL 36 1HG1 VAL 36 11.203 -0.405 2.548 1088 2HG1 VAL 36 2HG1 VAL 36 9.703 -0.589 1.651 1089 3HG1 VAL 36 3HG1 VAL 36 9.957 -1.506 3.127 1090 1HG2 VAL 36 1HG2 VAL 36 8.512 -0.401 5.069 1091 2HG2 VAL 36 2HG2 VAL 36 7.752 -0.659 3.500 1092 3HG2 VAL 36 3HG2 VAL 36 7.583 0.892 4.323 1093 H ALA 37 H ALA 37 11.844 2.179 2.792 1094 HA ALA 37 HA ALA 37 14.104 0.310 2.918 1095 1HB ALA 37 1HB ALA 37 13.016 2.477 1.252 1096 2HB ALA 37 2HB ALA 37 13.756 0.961 0.774 1097 3HB ALA 37 3HB ALA 37 14.761 2.331 1.244 1098 H LYS 38 H LYS 38 13.176 2.848 4.820 1099 HA LYS 38 HA LYS 38 15.950 3.940 5.135 1100 1HB LYS 38 2HB LYS 38 13.795 5.400 4.868 1101 2HB LYS 38 1HB LYS 38 13.457 4.924 6.530 1102 1HG LYS 38 2HG LYS 38 14.875 6.506 7.262 1103 2HG LYS 38 1HG LYS 38 16.195 5.714 6.401 1104 1HD LYS 38 2HD LYS 38 14.268 7.708 5.169 1105 2HD LYS 38 1HD LYS 38 15.913 8.076 5.686 1106 1HE LYS 38 2HE LYS 38 15.658 5.739 3.870 1107 2HE LYS 38 1HE LYS 38 15.309 7.321 3.145 1108 1HZ LYS 38 1HZ LYS 38 17.703 6.683 4.788 1109 2HZ LYS 38 2HZ LYS 38 17.364 8.176 4.053 1110 3HZ LYS 38 3HZ LYS 38 17.693 6.811 3.096 1111 H GLY 39 H GLY 39 13.286 2.321 6.753 1112 1HA GLY 39 2HA GLY 39 14.411 0.531 8.266 1113 2HA GLY 39 1HA GLY 39 15.019 1.949 9.111 1114 H ASP 40 H ASP 40 11.741 1.738 7.719 1115 HA ASP 40 HA ASP 40 10.635 1.303 10.452 1116 1HB ASP 40 2HB ASP 40 10.973 3.847 9.214 1117 2HB ASP 40 1HB ASP 40 9.244 3.497 9.229 1118 H LYS 41 H LYS 41 8.315 0.816 10.397 1119 HA LYS 41 HA LYS 41 7.499 -0.432 7.813 1120 1HB LYS 41 2HB LYS 41 6.449 -0.720 10.651 1121 2HB LYS 41 1HB LYS 41 5.999 -1.728 9.277 1122 1HG LYS 41 2HG LYS 41 8.183 -2.669 9.118 1123 2HG LYS 41 1HG LYS 41 8.869 -1.444 10.184 1124 1HD LYS 41 2HD LYS 41 8.621 -3.444 11.494 1125 2HD LYS 41 1HD LYS 41 7.353 -2.332 12.011 1126 1HE LYS 41 2HE LYS 41 5.662 -3.600 11.060 1127 2HE LYS 41 1HE LYS 41 6.720 -4.236 9.785 1128 1HZ LYS 41 1HZ LYS 41 6.225 -5.884 11.549 1129 2HZ LYS 41 2HZ LYS 41 7.008 -4.878 12.671 1130 3HZ LYS 41 3HZ LYS 41 7.882 -5.561 11.385 1131 H VAL 42 H VAL 42 6.672 1.480 6.772 1132 HA VAL 42 HA VAL 42 4.785 3.280 8.025 1133 HB VAL 42 HB VAL 42 5.439 2.648 5.129 1134 1HG1 VAL 42 1HG1 VAL 42 3.480 3.863 4.910 1135 2HG1 VAL 42 2HG1 VAL 42 4.648 5.180 5.023 1136 3HG1 VAL 42 3HG1 VAL 42 3.712 4.706 6.442 1137 1HG2 VAL 42 1HG2 VAL 42 7.435 3.454 5.983 1138 2HG2 VAL 42 2HG2 VAL 42 6.634 4.398 7.238 1139 3HG2 VAL 42 3HG2 VAL 42 6.643 4.975 5.572 1140 H GLN 43 H GLN 43 2.483 3.351 7.765 1141 HA GLN 43 HA GLN 43 1.177 1.051 6.385 1142 1HB GLN 43 2HB GLN 43 0.613 1.837 9.262 1143 2HB GLN 43 1HB GLN 43 -0.028 0.440 8.397 1144 1HG GLN 43 2HG GLN 43 2.326 -0.404 8.149 1145 2HG GLN 43 1HG GLN 43 2.857 0.920 9.187 1146 1HE2 GLN 43 1HE2 GLN 43 0.012 -1.300 9.388 1147 2HE2 GLN 43 2HE2 GLN 43 0.345 -1.813 10.972 1148 H LEU 44 H LEU 44 -1.228 1.410 6.261 1149 HA LEU 44 HA LEU 44 -1.932 4.329 6.353 1150 1HB LEU 44 2HB LEU 44 -2.798 2.166 4.407 1151 2HB LEU 44 1HB LEU 44 -3.299 3.847 4.341 1152 HG LEU 44 HG LEU 44 -0.541 2.711 3.863 1153 1HD1 LEU 44 1HD1 LEU 44 -0.774 3.889 1.729 1154 2HD1 LEU 44 2HD1 LEU 44 -2.312 4.575 2.251 1155 3HD1 LEU 44 3HD1 LEU 44 -2.172 2.847 1.969 1156 1HD2 LEU 44 1HD2 LEU 44 -1.349 5.372 4.873 1157 2HD2 LEU 44 2HD2 LEU 44 -0.267 5.401 3.482 1158 3HD2 LEU 44 3HD2 LEU 44 0.215 4.564 4.955 1159 H THR 45 H THR 45 -3.469 4.614 7.928 1160 HA THR 45 HA THR 45 -5.073 3.924 9.580 1161 HB THR 45 HB THR 45 -6.492 5.036 8.128 1162 HG1 THR 45 HG1 THR 45 -8.253 3.662 7.688 1163 1HG2 THR 45 1HG2 THR 45 -5.335 4.658 6.065 1164 2HG2 THR 45 2HG2 THR 45 -7.009 4.177 5.802 1165 3HG2 THR 45 3HG2 THR 45 -5.769 2.952 6.053 1166 H GLY 46 H GLY 46 -6.448 1.702 7.237 1167 1HA GLY 46 2HA GLY 46 -5.298 -0.637 8.616 1168 2HA GLY 46 1HA GLY 46 -7.047 -0.435 8.726 1169 H PHE 47 H PHE 47 -5.430 0.657 5.828 1170 HA PHE 47 HA PHE 47 -6.557 -1.719 4.424 1171 1HB PHE 47 2HB PHE 47 -7.362 -0.332 2.756 1172 2HB PHE 47 1HB PHE 47 -7.599 0.640 4.191 1173 HD1 PHE 47 HD1 PHE 47 -5.053 0.060 1.465 1174 HD2 PHE 47 HD2 PHE 47 -6.830 2.846 4.211 1175 HE1 PHE 47 HE1 PHE 47 -3.779 1.902 0.431 1176 HE2 PHE 47 HE2 PHE 47 -5.554 4.657 3.168 1177 HZ PHE 47 HZ PHE 47 -4.024 4.209 1.298 1178 H LEU 48 H LEU 48 -3.760 0.447 4.595 1179 HA LEU 48 HA LEU 48 -2.393 -1.417 2.734 1180 1HB LEU 48 2HB LEU 48 -2.783 1.355 2.753 1181 2HB LEU 48 1HB LEU 48 -1.081 1.093 3.109 1182 HG LEU 48 HG LEU 48 -1.974 1.227 0.640 1183 1HD1 LEU 48 1HD1 LEU 48 0.070 0.255 -0.003 1184 2HD1 LEU 48 2HD1 LEU 48 -0.037 -0.997 1.233 1185 3HD1 LEU 48 3HD1 LEU 48 0.364 0.658 1.689 1186 1HD2 LEU 48 1HD2 LEU 48 -2.731 -0.744 -0.337 1187 2HD2 LEU 48 2HD2 LEU 48 -3.459 -0.895 1.260 1188 3HD2 LEU 48 3HD2 LEU 48 -1.969 -1.758 0.886 1189 H ASN 49 H ASN 49 -0.132 -1.706 3.064 1190 HA ASN 49 HA ASN 49 0.928 -1.265 5.793 1191 1HB ASN 49 2HB ASN 49 -0.041 -3.738 4.589 1192 2HB ASN 49 1HB ASN 49 1.678 -3.869 4.956 1193 1HD2 ASN 49 1HD2 ASN 49 2.176 -2.790 7.294 1194 2HD2 ASN 49 2HD2 ASN 49 1.117 -3.286 8.525 1195 H ILE 50 H ILE 50 3.171 -0.917 5.668 1196 HA ILE 50 HA ILE 50 4.518 -1.374 3.041 1197 HB ILE 50 HB ILE 50 4.658 1.172 4.678 1198 1HG1 ILE 50 2HG1 ILE 50 2.393 0.806 3.702 1199 2HG1 ILE 50 1HG1 ILE 50 3.220 2.178 2.969 1200 1HG2 ILE 50 1HG2 ILE 50 6.294 0.146 2.604 1201 2HG2 ILE 50 2HG2 ILE 50 6.329 1.769 3.294 1202 3HG2 ILE 50 3HG2 ILE 50 5.326 1.432 1.887 1203 1HD1 ILE 50 1HD1 ILE 50 2.154 -0.085 1.644 1204 2HD1 ILE 50 2HD1 ILE 50 3.906 -0.229 1.535 1205 3HD1 ILE 50 3HD1 ILE 50 3.101 1.221 0.937 1206 H LYS 51 H LYS 51 5.973 -2.988 3.784 1207 HA LYS 51 HA LYS 51 8.111 -2.098 5.603 1208 1HB LYS 51 2HB LYS 51 7.505 -3.357 7.422 1209 2HB LYS 51 1HB LYS 51 5.896 -3.195 6.735 1210 1HG LYS 51 2HG LYS 51 6.048 -5.500 7.098 1211 2HG LYS 51 1HG LYS 51 6.528 -5.371 5.409 1212 1HD LYS 51 2HD LYS 51 8.639 -6.069 5.846 1213 2HD LYS 51 1HD LYS 51 8.778 -5.019 7.258 1214 1HE LYS 51 2HE LYS 51 6.906 -7.233 7.705 1215 2HE LYS 51 1HE LYS 51 8.551 -7.786 7.348 1216 1HZ LYS 51 1HZ LYS 51 7.928 -5.609 9.263 1217 2HZ LYS 51 2HZ LYS 51 9.433 -6.348 9.006 1218 3HZ LYS 51 3HZ LYS 51 8.169 -7.219 9.731 1219 HA PRO 52 HA PRO 52 9.930 -4.979 2.715 1220 1HB PRO 52 2HB PRO 52 12.516 -4.291 3.163 1221 2HB PRO 52 1HB PRO 52 11.392 -3.244 2.277 1222 1HG PRO 52 2HG PRO 52 12.518 -2.922 4.959 1223 2HG PRO 52 1HG PRO 52 11.789 -1.723 3.890 1224 1HD PRO 52 2HD PRO 52 10.596 -3.073 6.136 1225 2HD PRO 52 1HD PRO 52 9.894 -1.809 5.105 1226 H VAL 53 H VAL 53 11.342 -6.865 2.748 1227 HA VAL 53 HA VAL 53 12.286 -7.765 5.406 1228 HB VAL 53 HB VAL 53 11.314 -10.004 4.962 1229 1HG1 VAL 53 1HG1 VAL 53 10.134 -8.196 6.273 1230 2HG1 VAL 53 2HG1 VAL 53 9.063 -9.402 5.563 1231 3HG1 VAL 53 3HG1 VAL 53 9.229 -7.817 4.809 1232 1HG2 VAL 53 1HG2 VAL 53 11.031 -8.999 2.355 1233 2HG2 VAL 53 2HG2 VAL 53 9.386 -9.106 2.973 1234 3HG2 VAL 53 3HG2 VAL 53 10.415 -10.536 2.958 1235 H ALA 54 H ALA 54 14.368 -8.140 5.191 1236 HA ALA 54 HA ALA 54 15.937 -8.223 2.917 1237 1HB ALA 54 1HB ALA 54 17.206 -8.135 4.811 1238 2HB ALA 54 2HB ALA 54 17.294 -9.883 4.596 1239 3HB ALA 54 3HB ALA 54 16.112 -9.189 5.707 1240 H ARG 55 H ARG 55 15.676 -9.493 1.154 1241 HA ARG 55 HA ARG 55 15.516 -12.457 1.531 1242 1HB ARG 55 2HB ARG 55 13.458 -10.707 0.644 1243 2HB ARG 55 1HB ARG 55 14.034 -11.560 -0.788 1244 1HG ARG 55 2HG ARG 55 13.455 -13.655 0.062 1245 2HG ARG 55 1HG ARG 55 13.512 -13.102 1.737 1246 1HD ARG 55 2HD ARG 55 11.217 -13.098 1.493 1247 2HD ARG 55 1HD ARG 55 11.523 -11.506 0.769 1248 HE ARG 55 HE ARG 55 11.842 -13.666 -1.154 1249 1HH1 ARG 55 1HH2 ARG 55 9.101 -14.143 -0.093 1250 2HH1 ARG 55 2HH2 ARG 55 8.130 -13.112 -1.091 1251 1HH2 ARG 55 1HH1 ARG 55 10.814 -11.225 -2.214 1252 2HH2 ARG 55 2HH1 ARG 55 9.099 -11.462 -2.293 1253 H GLN 56 H GLN 56 16.404 -13.619 -0.377 1254 HA GLN 56 HA GLN 56 18.564 -12.085 -1.675 1255 1HB GLN 56 2HB GLN 56 17.764 -14.996 -1.915 1256 2HB GLN 56 1HB GLN 56 19.313 -14.292 -2.375 1257 1HG GLN 56 2HG GLN 56 19.470 -13.511 0.085 1258 2HG GLN 56 1HG GLN 56 18.180 -14.672 0.396 1259 1HE2 GLN 56 1HE2 GLN 56 21.447 -14.454 0.608 1260 2HE2 GLN 56 2HE2 GLN 56 21.880 -16.061 0.276 1261 H ALA 57 H ALA 57 18.674 -13.611 -4.117 1262 HA ALA 57 HA ALA 57 16.199 -13.473 -5.609 1263 1HB ALA 57 1HB ALA 57 17.257 -11.029 -4.949 1264 2HB ALA 57 2HB ALA 57 16.226 -11.314 -6.350 1265 3HB ALA 57 3HB ALA 57 17.979 -11.312 -6.532 1266 H ARG 58 H ARG 58 16.467 -14.306 -7.688 1267 HA ARG 58 HA ARG 58 18.757 -14.256 -9.301 1268 1HB ARG 58 2HB ARG 58 19.619 -16.619 -8.758 1269 2HB ARG 58 1HB ARG 58 20.036 -15.335 -7.641 1270 1HG ARG 58 2HG ARG 58 17.675 -16.221 -6.581 1271 2HG ARG 58 1HG ARG 58 18.355 -17.714 -7.232 1272 1HD ARG 58 2HD ARG 58 20.469 -17.299 -6.036 1273 2HD ARG 58 1HD ARG 58 19.813 -15.780 -5.391 1274 HE ARG 58 HE ARG 58 18.020 -17.184 -4.295 1275 1HH1 ARG 58 1HH2 ARG 58 18.716 -19.734 -5.770 1276 2HH1 ARG 58 2HH2 ARG 58 19.588 -20.610 -4.556 1277 1HH2 ARG 58 1HH1 ARG 58 20.108 -17.831 -2.549 1278 2HH2 ARG 58 2HH1 ARG 58 20.376 -19.532 -2.732 1279 H LYS 59 H LYS 59 18.310 -15.204 -11.260 1280 HA LYS 59 HA LYS 59 16.114 -17.230 -11.424 1281 1HB LYS 59 2HB LYS 59 15.971 -14.459 -11.991 1282 2HB LYS 59 1HB LYS 59 15.999 -15.275 -13.554 1283 1HG LYS 59 2HG LYS 59 13.997 -16.367 -13.179 1284 2HG LYS 59 1HG LYS 59 14.223 -16.401 -11.429 1285 1HD LYS 59 2HD LYS 59 13.718 -13.841 -12.961 1286 2HD LYS 59 1HD LYS 59 12.417 -14.810 -12.267 1287 1HE LYS 59 2HE LYS 59 12.987 -14.264 -10.093 1288 2HE LYS 59 1HE LYS 59 14.713 -14.107 -10.478 1289 1HZ LYS 59 1HZ LYS 59 14.070 -12.148 -11.878 1290 2HZ LYS 59 2HZ LYS 59 13.881 -11.918 -10.205 1291 3HZ LYS 59 3HZ LYS 59 12.526 -12.228 -11.180 1292 H GLY 60 H GLY 60 17.882 -18.774 -12.008 1293 1HA GLY 60 2HA GLY 60 18.290 -19.612 -14.479 1294 2HA GLY 60 1HA GLY 60 19.275 -18.154 -14.569 1295 H PHE 61 H PHE 61 18.895 -21.079 -12.561 1296 HA PHE 61 HA PHE 61 21.528 -20.998 -11.365 1297 1HB PHE 61 2HB PHE 61 20.900 -23.294 -10.697 1298 2HB PHE 61 1HB PHE 61 19.518 -22.209 -10.516 1299 HD1 PHE 61 HD1 PHE 61 21.056 -24.779 -12.748 1300 HD2 PHE 61 HD2 PHE 61 17.572 -22.440 -11.873 1301 HE1 PHE 61 HE1 PHE 61 19.768 -26.083 -14.347 1302 HE2 PHE 61 HE2 PHE 61 16.270 -23.770 -13.472 1303 HZ PHE 61 HZ PHE 61 17.356 -25.610 -14.717 1304 H ASN 62 H ASN 62 22.440 -23.642 -11.810 1305 HA ASN 62 HA ASN 62 23.136 -23.719 -14.721 1306 1HB ASN 62 2HB ASN 62 25.106 -22.848 -13.989 1307 2HB ASN 62 1HB ASN 62 24.854 -23.382 -12.336 1308 1HD2 ASN 62 1HD2 ASN 62 25.150 -25.136 -15.485 1309 2HD2 ASN 62 2HD2 ASN 62 26.363 -26.194 -14.946 1310 HA PRO 63 HA PRO 63 24.048 -28.110 -12.906 1311 1HB PRO 63 2HB PRO 63 23.278 -28.571 -10.306 1312 2HB PRO 63 1HB PRO 63 24.907 -28.038 -10.774 1313 1HG PRO 63 2HG PRO 63 22.602 -26.415 -9.785 1314 2HG PRO 63 1HG PRO 63 24.311 -26.337 -9.324 1315 1HD PRO 63 2HD PRO 63 23.262 -24.571 -11.026 1316 2HD PRO 63 1HD PRO 63 24.914 -25.179 -11.247 1317 H GLN 64 H GLN 64 22.098 -27.776 -14.371 1318 HA GLN 64 HA GLN 64 20.081 -29.636 -13.904 1319 1HB GLN 64 2HB GLN 64 19.700 -27.159 -12.468 1320 2HB GLN 64 1HB GLN 64 18.381 -27.427 -13.611 1321 1HG GLN 64 2HG GLN 64 19.167 -29.842 -12.124 1322 2HG GLN 64 1HG GLN 64 18.538 -28.551 -11.101 1323 1HE2 GLN 64 1HE2 GLN 64 17.642 -29.511 -14.461 1324 2HE2 GLN 64 2HE2 GLN 64 15.998 -29.748 -14.110 1325 H THR 65 H THR 65 21.404 -29.297 -16.082 1326 HA THR 65 HA THR 65 21.444 -28.646 -18.346 1327 HB THR 65 HB THR 65 19.628 -30.312 -18.156 1328 HG1 THR 65 HG1 THR 65 19.763 -29.754 -20.192 1329 1HG2 THR 65 1HG2 THR 65 18.078 -29.327 -16.646 1330 2HG2 THR 65 2HG2 THR 65 17.248 -29.374 -18.200 1331 3HG2 THR 65 3HG2 THR 65 17.945 -27.865 -17.620 1332 H GLN 66 H GLN 66 21.825 -26.371 -16.959 1333 HA GLN 66 HA GLN 66 20.283 -24.357 -18.492 1334 1HB GLN 66 2HB GLN 66 19.740 -25.121 -15.874 1335 2HB GLN 66 1HB GLN 66 20.599 -23.599 -15.715 1336 1HG GLN 66 2HG GLN 66 18.366 -22.913 -15.958 1337 2HG GLN 66 1HG GLN 66 18.996 -22.775 -17.599 1338 1HE2 GLN 66 1HE2 GLN 66 18.383 -26.002 -16.253 1339 2HE2 GLN 66 2HE2 GLN 66 17.008 -26.320 -17.191 1340 H GLU 67 H GLU 67 21.386 -22.291 -16.681 1341 HA GLU 67 HA GLU 67 24.321 -22.473 -16.912 1342 1HB GLU 67 2HB GLU 67 24.356 -20.376 -18.285 1343 2HB GLU 67 1HB GLU 67 23.576 -21.707 -19.135 1344 1HG GLU 67 2HG GLU 67 21.362 -20.810 -18.206 1345 2HG GLU 67 1HG GLU 67 22.260 -19.360 -17.760 1346 H ALA 68 H ALA 68 24.883 -21.762 -14.878 1347 HA ALA 68 HA ALA 68 23.039 -20.291 -13.217 1348 1HB ALA 68 1HB ALA 68 24.370 -21.658 -11.978 1349 2HB ALA 68 2HB ALA 68 25.327 -20.185 -11.843 1350 3HB ALA 68 3HB ALA 68 25.775 -21.421 -13.016 1351 H LEU 69 H LEU 69 22.669 -18.245 -13.290 1352 HA LEU 69 HA LEU 69 24.696 -16.164 -13.282 1353 1HB LEU 69 2HB LEU 69 23.268 -15.351 -15.530 1354 2HB LEU 69 1HB LEU 69 24.878 -16.061 -15.574 1355 HG LEU 69 HG LEU 69 22.773 -18.090 -15.397 1356 1HD1 LEU 69 1HD1 LEU 69 22.564 -17.431 -18.089 1357 2HD1 LEU 69 2HD1 LEU 69 22.393 -15.887 -17.252 1358 3HD1 LEU 69 3HD1 LEU 69 21.315 -17.227 -16.861 1359 1HD2 LEU 69 1HD2 LEU 69 24.152 -18.534 -17.712 1360 2HD2 LEU 69 2HD2 LEU 69 24.720 -19.051 -16.129 1361 3HD2 LEU 69 3HD2 LEU 69 25.310 -17.545 -16.825 1362 H GLU 70 H GLU 70 22.734 -16.944 -11.559 1363 HA GLU 70 HA GLU 70 20.520 -14.940 -11.887 1364 1HB GLU 70 2HB GLU 70 19.262 -16.700 -10.572 1365 2HB GLU 70 1HB GLU 70 19.791 -17.214 -12.164 1366 1HG GLU 70 2HG GLU 70 21.247 -18.750 -11.324 1367 2HG GLU 70 1HG GLU 70 21.721 -17.716 -9.982 1368 H ILE 71 H ILE 71 21.128 -13.264 -10.431 1369 HA ILE 71 HA ILE 71 21.125 -13.872 -7.617 1370 HB ILE 71 HB ILE 71 23.314 -14.078 -7.392 1371 1HG1 ILE 71 2HG1 ILE 71 24.839 -12.143 -8.011 1372 2HG1 ILE 71 1HG1 ILE 71 23.394 -11.329 -8.609 1373 1HG2 ILE 71 1HG2 ILE 71 23.645 -15.051 -9.457 1374 2HG2 ILE 71 2HG2 ILE 71 24.835 -13.752 -9.422 1375 3HG2 ILE 71 3HG2 ILE 71 23.332 -13.543 -10.317 1376 1HD1 ILE 71 1HD1 ILE 71 22.761 -12.392 -6.055 1377 2HD1 ILE 71 2HD1 ILE 71 22.902 -10.698 -6.522 1378 3HD1 ILE 71 3HD1 ILE 71 24.307 -11.561 -5.904 1379 H ALA 72 H ALA 72 20.936 -12.023 -6.357 1380 HA ALA 72 HA ALA 72 21.195 -9.308 -6.896 1381 1HB ALA 72 1HB ALA 72 19.912 -9.266 -8.821 1382 2HB ALA 72 2HB ALA 72 18.642 -8.982 -7.630 1383 3HB ALA 72 3HB ALA 72 18.889 -10.600 -8.287 1384 HA PRO 73 HA PRO 73 18.837 -10.845 -3.052 1385 1HB PRO 73 2HB PRO 73 20.792 -10.191 -1.229 1386 2HB PRO 73 1HB PRO 73 20.655 -11.786 -1.999 1387 1HG PRO 73 2HG PRO 73 22.405 -9.478 -2.735 1388 2HG PRO 73 1HG PRO 73 22.806 -11.203 -2.619 1389 1HD PRO 73 2HD PRO 73 22.342 -10.053 -4.984 1390 2HD PRO 73 1HD PRO 73 21.790 -11.711 -4.643 1391 H SER 74 H SER 74 17.418 -9.320 -2.448 1392 HA SER 74 HA SER 74 18.330 -6.632 -1.583 1393 1HB SER 74 2HB SER 74 16.081 -6.968 -3.568 1394 2HB SER 74 1HB SER 74 16.986 -5.508 -3.181 1395 HG SER 74 HG SER 74 17.765 -7.766 -4.683 1396 H VAL 75 H VAL 75 16.571 -5.557 -0.292 1397 HA VAL 75 HA VAL 75 15.223 -7.278 1.487 1398 HB VAL 75 HB VAL 75 15.557 -4.522 1.082 1399 1HG1 VAL 75 1HG1 VAL 75 12.602 -5.211 1.246 1400 2HG1 VAL 75 2HG1 VAL 75 13.396 -4.464 -0.138 1401 3HG1 VAL 75 3HG1 VAL 75 13.286 -3.598 1.392 1402 1HG2 VAL 75 1HG2 VAL 75 14.532 -4.371 3.355 1403 2HG2 VAL 75 2HG2 VAL 75 15.721 -5.666 3.229 1404 3HG2 VAL 75 3HG2 VAL 75 13.999 -6.044 3.193 1405 H GLY 76 H GLY 76 12.723 -7.323 1.713 1406 1HA GLY 76 2HA GLY 76 11.479 -7.657 -0.992 1407 2HA GLY 76 1HA GLY 76 11.277 -8.887 0.257 1408 H VAL 77 H VAL 77 10.010 -5.999 -1.013 1409 HA VAL 77 HA VAL 77 8.793 -4.794 1.257 1410 HB VAL 77 HB VAL 77 8.909 -3.830 -1.018 1411 1HG1 VAL 77 1HG1 VAL 77 6.665 -5.585 -1.926 1412 2HG1 VAL 77 2HG1 VAL 77 8.307 -6.217 -1.996 1413 3HG1 VAL 77 3HG1 VAL 77 7.890 -4.753 -2.882 1414 1HG2 VAL 77 1HG2 VAL 77 6.674 -2.894 -1.110 1415 2HG2 VAL 77 2HG2 VAL 77 7.121 -3.109 0.582 1416 3HG2 VAL 77 3HG2 VAL 77 6.026 -4.254 -0.192 1417 H SER 78 H SER 78 8.155 -6.577 2.553 1418 HA SER 78 HA SER 78 6.523 -8.786 1.945 1419 1HB SER 78 2HB SER 78 7.524 -7.332 4.259 1420 2HB SER 78 1HB SER 78 5.960 -8.077 4.574 1421 HG SER 78 HG SER 78 6.820 -10.045 3.864 1422 H VAL 79 H VAL 79 5.483 -5.646 3.242 1423 HA VAL 79 HA VAL 79 2.878 -6.073 3.892 1424 HB VAL 79 HB VAL 79 2.532 -3.737 3.223 1425 1HG1 VAL 79 1HG1 VAL 79 4.109 -2.978 4.886 1426 2HG1 VAL 79 2HG1 VAL 79 5.156 -4.355 4.590 1427 3HG1 VAL 79 3HG1 VAL 79 3.583 -4.587 5.340 1428 1HG2 VAL 79 1HG2 VAL 79 4.228 -4.196 1.213 1429 2HG2 VAL 79 2HG2 VAL 79 5.419 -3.673 2.397 1430 3HG2 VAL 79 3HG2 VAL 79 4.106 -2.595 1.932 1431 H LYS 80 H LYS 80 0.990 -5.016 2.833 1432 HA LYS 80 HA LYS 80 0.458 -5.083 0.034 1433 1HB LYS 80 2HB LYS 80 -0.881 -7.292 0.213 1434 2HB LYS 80 1HB LYS 80 0.868 -7.452 0.197 1435 1HG LYS 80 2HG LYS 80 0.191 -8.853 1.968 1436 2HG LYS 80 1HG LYS 80 0.691 -7.374 2.784 1437 1HD LYS 80 2HD LYS 80 -1.484 -6.752 3.288 1438 2HD LYS 80 1HD LYS 80 -2.162 -7.631 1.918 1439 1HE LYS 80 2HE LYS 80 -0.878 -9.536 3.639 1440 2HE LYS 80 1HE LYS 80 -1.958 -8.526 4.621 1441 1HZ LYS 80 1HZ LYS 80 -3.731 -8.895 3.077 1442 2HZ LYS 80 2HZ LYS 80 -3.112 -10.409 3.531 1443 3HZ LYS 80 3HZ LYS 80 -2.714 -9.745 2.019 1444 HA PRO 81 HA PRO 81 -3.340 -3.328 1.489 1445 1HB PRO 81 2HB PRO 81 -5.398 -4.797 0.412 1446 2HB PRO 81 1HB PRO 81 -4.415 -3.655 -0.527 1447 1HG PRO 81 2HG PRO 81 -4.119 -6.623 -0.266 1448 2HG PRO 81 1HG PRO 81 -4.091 -5.625 -1.729 1449 1HD PRO 81 2HD PRO 81 -1.819 -6.465 -0.642 1450 2HD PRO 81 1HD PRO 81 -1.937 -4.814 -1.286 1451 H GLY 82 H GLY 82 -4.954 -3.500 3.118 1452 1HA GLY 82 2HA GLY 82 -5.018 -6.096 4.609 1453 2HA GLY 82 1HA GLY 82 -5.065 -4.519 5.409 1454 H GLU 83 H GLU 83 -6.924 -3.129 4.936 1455 HA GLU 83 HA GLU 83 -9.468 -4.604 4.844 1456 1HB GLU 83 2HB GLU 83 -8.986 -2.508 6.182 1457 2HB GLU 83 1HB GLU 83 -8.894 -1.628 4.653 1458 1HG GLU 83 2HG GLU 83 -11.142 -1.897 4.197 1459 2HG GLU 83 1HG GLU 83 -11.272 -3.357 5.176 1460 H SER 84 H SER 84 -7.879 -4.985 2.572 1461 HA SER 84 HA SER 84 -7.747 -4.308 0.229 1462 1HB SER 84 2HB SER 84 -8.448 -6.476 0.120 1463 2HB SER 84 1HB SER 84 -9.710 -6.211 1.315 1464 HG SER 84 HG SER 84 -10.339 -6.660 -0.962 1465 H LEU 85 H LEU 85 -8.706 -2.009 1.447 1466 HA LEU 85 HA LEU 85 -10.704 -0.540 1.343 1467 1HB LEU 85 2HB LEU 85 -10.406 -0.562 -1.598 1468 2HB LEU 85 1HB LEU 85 -10.184 0.777 -0.480 1469 HG LEU 85 HG LEU 85 -8.150 -1.413 -1.020 1470 1HD1 LEU 85 1HD1 LEU 85 -7.640 -0.134 -2.817 1471 2HD1 LEU 85 2HD1 LEU 85 -7.079 1.081 -1.670 1472 3HD1 LEU 85 3HD1 LEU 85 -8.726 1.153 -2.294 1473 1HD2 LEU 85 1HD2 LEU 85 -8.391 -0.086 1.295 1474 2HD2 LEU 85 2HD2 LEU 85 -7.497 1.132 0.388 1475 3HD2 LEU 85 3HD2 LEU 85 -6.816 -0.480 0.608 1476 H LYS 86 H LYS 86 -10.982 -3.398 1.218 1477 HA LYS 86 HA LYS 86 -12.853 -4.530 -0.601 1478 1HB LYS 86 2HB LYS 86 -11.588 -5.839 1.002 1479 2HB LYS 86 1HB LYS 86 -11.983 -4.734 2.307 1480 1HG LYS 86 2HG LYS 86 -14.471 -5.603 1.687 1481 2HG LYS 86 1HG LYS 86 -13.533 -7.030 1.238 1482 1HD LYS 86 2HD LYS 86 -12.439 -7.034 3.441 1483 2HD LYS 86 1HD LYS 86 -13.328 -5.579 3.899 1484 1HE LYS 86 2HE LYS 86 -15.336 -7.327 3.039 1485 2HE LYS 86 1HE LYS 86 -14.220 -8.364 3.947 1486 1HZ LYS 86 1HZ LYS 86 -15.163 -5.715 4.903 1487 2HZ LYS 86 2HZ LYS 86 -14.260 -6.860 5.776 1488 3HZ LYS 86 3HZ LYS 86 -15.876 -7.184 5.363 1489 H LYS 87 H LYS 87 -12.871 -2.786 2.334 1490 HA LYS 87 HA LYS 87 -15.655 -2.521 2.736 1491 1HB LYS 87 2HB LYS 87 -13.669 -2.271 4.328 1492 2HB LYS 87 1HB LYS 87 -13.323 -0.739 3.525 1493 1HG LYS 87 2HG LYS 87 -14.956 0.338 4.670 1494 2HG LYS 87 1HG LYS 87 -16.133 -0.928 4.320 1495 1HD LYS 87 2HD LYS 87 -14.082 -1.776 6.241 1496 2HD LYS 87 1HD LYS 87 -15.034 -0.404 6.810 1497 1HE LYS 87 2HE LYS 87 -16.372 -2.198 7.504 1498 2HE LYS 87 1HE LYS 87 -17.067 -1.866 5.906 1499 1HZ LYS 87 1HZ LYS 87 -16.495 -4.211 6.136 1500 2HZ LYS 87 2HZ LYS 87 -14.881 -3.799 6.469 1501 3HZ LYS 87 3HZ LYS 87 -15.546 -3.473 4.941 1502 H ALA 88 H ALA 88 -13.071 -0.815 1.036 1503 HA ALA 88 HA ALA 88 -14.744 1.447 0.238 1504 1HB ALA 88 1HB ALA 88 -12.034 0.702 0.259 1505 2HB ALA 88 2HB ALA 88 -12.702 2.215 -0.342 1506 3HB ALA 88 3HB ALA 88 -12.445 0.865 -1.448 1507 H ALA 89 H ALA 89 -14.012 -1.755 -0.944 1508 HA ALA 89 HA ALA 89 -14.863 -1.419 -3.660 1509 1HB ALA 89 1HB ALA 89 -13.843 -3.418 -2.029 1510 2HB ALA 89 2HB ALA 89 -14.348 -3.645 -3.700 1511 3HB ALA 89 3HB ALA 89 -15.466 -4.002 -2.389 1512 H GLU 90 H GLU 90 -16.689 -2.515 -0.789 1513 HA GLU 90 HA GLU 90 -19.223 -2.694 -2.101 1514 1HB GLU 90 2HB GLU 90 -20.013 -2.970 0.076 1515 2HB GLU 90 1HB GLU 90 -18.300 -3.257 0.362 1516 1HG GLU 90 2HG GLU 90 -18.204 -0.659 0.730 1517 2HG GLU 90 1HG GLU 90 -19.940 -0.818 0.992 1518 H GLY 91 H GLY 91 -17.230 -0.048 -1.000 1519 1HA GLY 91 2HA GLY 91 -19.195 2.035 -1.008 1520 2HA GLY 91 1HA GLY 91 -17.459 2.269 -1.172 1521 H LEU 92 H LEU 92 -17.136 0.716 -3.702 1522 HA LEU 92 HA LEU 92 -18.150 2.836 -5.507 1523 1HB LEU 92 2HB LEU 92 -16.642 1.893 -7.083 1524 2HB LEU 92 1HB LEU 92 -15.845 1.692 -5.539 1525 HG LEU 92 HG LEU 92 -17.362 -0.619 -5.751 1526 1HD1 LEU 92 1HD1 LEU 92 -16.219 -1.246 -8.147 1527 2HD1 LEU 92 2HD1 LEU 92 -16.653 0.439 -8.428 1528 3HD1 LEU 92 3HD1 LEU 92 -17.895 -0.726 -7.973 1529 1HD2 LEU 92 1HD2 LEU 92 -15.290 -1.667 -5.663 1530 2HD2 LEU 92 2HD2 LEU 92 -14.846 -0.045 -5.139 1531 3HD2 LEU 92 3HD2 LEU 92 -14.556 -0.544 -6.806 1532 H LYS 93 H LYS 93 -19.994 0.675 -4.243 1533 HA LYS 93 HA LYS 93 -21.816 -0.654 -4.993 1534 1HB LYS 93 2HB LYS 93 -21.318 1.399 -7.152 1535 2HB LYS 93 1HB LYS 93 -22.549 0.160 -7.397 1536 1HG LYS 93 2HG LYS 93 -22.465 1.846 -4.893 1537 2HG LYS 93 1HG LYS 93 -23.333 2.366 -6.337 1538 1HD LYS 93 2HD LYS 93 -24.201 -0.229 -6.066 1539 2HD LYS 93 1HD LYS 93 -24.026 0.272 -4.384 1540 1HE LYS 93 2HE LYS 93 -25.243 2.470 -5.637 1541 2HE LYS 93 1HE LYS 93 -26.065 1.049 -6.310 1542 1HZ LYS 93 1HZ LYS 93 -25.647 1.705 -3.446 1543 2HZ LYS 93 2HZ LYS 93 -26.160 0.176 -3.984 1544 3HZ LYS 93 3HZ LYS 93 -27.126 1.546 -4.261 1545 H TYR 94 H TYR 94 -19.169 -1.593 -5.242 1546 HA TYR 94 HA TYR 94 -18.061 -2.591 -7.494 1547 1HB TYR 94 2HB TYR 94 -16.974 -3.754 -5.904 1548 2HB TYR 94 1HB TYR 94 -18.190 -3.229 -4.744 1549 HD1 TYR 94 HD1 TYR 94 -20.125 -4.626 -4.232 1550 HD2 TYR 94 HD2 TYR 94 -17.038 -5.912 -6.907 1551 HE1 TYR 94 HE1 TYR 94 -21.016 -6.948 -4.144 1552 HE2 TYR 94 HE2 TYR 94 -17.909 -8.242 -6.815 1553 HH TYR 94 HH TYR 94 -20.769 -9.087 -6.009 1554 H GLU 95 H GLU 95 -21.101 -3.795 -6.102 1555 HA GLU 95 HA GLU 95 -21.461 -6.070 -7.781 1556 1HB GLU 95 2HB GLU 95 -23.852 -5.779 -7.158 1557 2HB GLU 95 1HB GLU 95 -22.783 -5.605 -5.769 1558 1HG GLU 95 2HG GLU 95 -22.836 -3.051 -6.394 1559 2HG GLU 95 1HG GLU 95 -24.314 -3.487 -7.252 1560 H ASP 96 H ASP 96 -22.391 -2.664 -8.237 1561 HA ASP 96 HA ASP 96 -23.740 -2.965 -10.747 1562 1HB ASP 96 2HB ASP 96 -23.084 -0.939 -8.959 1563 2HB ASP 96 1HB ASP 96 -22.124 -0.530 -10.381 1564 H PHE 97 H PHE 97 -20.369 -2.634 -9.799 1565 HA PHE 97 HA PHE 97 -19.295 -2.412 -12.502 1566 1HB PHE 97 2HB PHE 97 -18.446 -2.170 -9.812 1567 2HB PHE 97 1HB PHE 97 -17.491 -3.487 -10.491 1568 HD1 PHE 97 HD1 PHE 97 -15.453 -2.845 -11.380 1569 HD2 PHE 97 HD2 PHE 97 -18.797 -0.165 -11.680 1570 HE1 PHE 97 HE1 PHE 97 -14.025 -1.201 -12.567 1571 HE2 PHE 97 HE2 PHE 97 -17.368 1.480 -12.869 1572 HZ PHE 97 HZ PHE 97 -14.984 0.962 -13.313 1573 H ALA 98 H ALA 98 -20.204 -5.000 -10.326 1574 HA ALA 98 HA ALA 98 -18.733 -7.138 -11.605 1575 1HB ALA 98 1HB ALA 98 -19.769 -8.414 -9.967 1576 2HB ALA 98 2HB ALA 98 -21.308 -7.575 -10.149 1577 3HB ALA 98 3HB ALA 98 -19.989 -6.813 -9.262 1578 H LYS 99 H LYS 99 -22.253 -6.545 -11.543 1579 HA LYS 99 HA LYS 99 -22.614 -8.125 -14.004 1580 1HB LYS 99 2HB LYS 99 -24.461 -6.608 -12.135 1581 2HB LYS 99 1HB LYS 99 -25.026 -7.572 -13.500 1582 1HG LYS 99 2HG LYS 99 -25.111 -9.232 -11.928 1583 2HG LYS 99 1HG LYS 99 -23.395 -9.376 -12.308 1584 1HD LYS 99 2HD LYS 99 -22.870 -8.819 -10.194 1585 2HD LYS 99 1HD LYS 99 -23.700 -7.275 -10.388 1586 1HE LYS 99 2HE LYS 99 -25.063 -8.099 -8.733 1587 2HE LYS 99 1HE LYS 99 -25.828 -8.982 -10.070 1588 1HZ LYS 99 1HZ LYS 99 -23.531 -9.946 -8.446 1589 2HZ LYS 99 2HZ LYS 99 -24.244 -10.780 -9.743 1590 3HZ LYS 99 3HZ LYS 99 -25.128 -10.504 -8.318 Start of MODEL 3 1 1H MET 1 1H MET 1 6.500 4.148 10.684 2 2H MET 1 2H MET 1 5.298 3.241 9.896 3 3H MET 1 3H MET 1 5.186 3.538 11.565 4 HA MET 1 HA MET 1 4.814 5.869 11.202 5 1HB MET 1 2HB MET 1 5.916 5.001 8.608 6 2HB MET 1 1HB MET 1 4.598 6.165 8.476 7 1HG MET 1 2HG MET 1 5.756 7.809 9.678 8 2HG MET 1 1HG MET 1 6.835 6.635 10.433 9 1HE MET 1 1HE MET 1 5.558 6.809 6.876 10 2HE MET 1 2HE MET 1 6.829 7.601 5.949 11 3HE MET 1 3HE MET 1 5.886 8.530 7.112 12 H ASN 2 H ASN 2 2.753 6.764 9.813 13 HA ASN 2 HA ASN 2 0.903 4.842 8.795 14 1HB ASN 2 2HB ASN 2 1.255 4.780 11.571 15 2HB ASN 2 1HB ASN 2 -0.263 5.643 11.333 16 1HD2 ASN 2 1HD2 ASN 2 0.177 2.832 12.348 17 2HD2 ASN 2 2HD2 ASN 2 -0.723 1.839 11.307 18 H LYS 3 H LYS 3 -1.538 5.917 9.507 19 HA LYS 3 HA LYS 3 -1.887 8.153 7.850 20 1HB LYS 3 2HB LYS 3 -3.432 6.494 9.438 21 2HB LYS 3 1HB LYS 3 -3.654 8.065 10.208 22 1HG LYS 3 2HG LYS 3 -4.857 8.890 8.458 23 2HG LYS 3 1HG LYS 3 -3.803 8.138 7.262 24 1HD LYS 3 2HD LYS 3 -4.921 6.035 7.451 25 2HD LYS 3 1HD LYS 3 -5.758 6.530 8.917 26 1HE LYS 3 2HE LYS 3 -6.220 8.005 6.306 27 2HE LYS 3 1HE LYS 3 -7.146 6.548 6.716 28 1HZ LYS 3 1HZ LYS 3 -6.822 8.881 8.530 29 2HZ LYS 3 2HZ LYS 3 -7.812 7.523 8.778 30 3HZ LYS 3 3HZ LYS 3 -8.178 8.629 7.542 31 H THR 4 H THR 4 -0.365 8.094 10.939 32 HA THR 4 HA THR 4 -0.725 11.053 11.252 33 HB THR 4 HB THR 4 0.107 8.914 13.236 34 HG1 THR 4 HG1 THR 4 -2.043 8.687 12.649 35 1HG2 THR 4 1HG2 THR 4 0.990 11.074 13.872 36 2HG2 THR 4 2HG2 THR 4 -0.404 10.731 14.896 37 3HG2 THR 4 3HG2 THR 4 -0.558 11.852 13.543 38 H GLU 5 H GLU 5 1.728 8.557 12.002 39 HA GLU 5 HA GLU 5 3.974 10.220 12.133 40 1HB GLU 5 2HB GLU 5 3.650 7.404 11.076 41 2HB GLU 5 1HB GLU 5 5.208 8.128 11.461 42 1HG GLU 5 2HG GLU 5 4.890 7.923 13.701 43 2HG GLU 5 1HG GLU 5 3.190 8.385 13.597 44 H LEU 6 H LEU 6 2.452 8.748 9.259 45 HA LEU 6 HA LEU 6 4.331 9.718 7.325 46 1HB LEU 6 2HB LEU 6 1.384 9.036 7.286 47 2HB LEU 6 1HB LEU 6 2.231 9.539 5.826 48 HG LEU 6 HG LEU 6 3.484 7.394 7.483 49 1HD1 LEU 6 1HD1 LEU 6 0.819 7.135 6.795 50 2HD1 LEU 6 2HD1 LEU 6 1.931 5.794 7.064 51 3HD1 LEU 6 3HD1 LEU 6 1.640 6.385 5.428 52 1HD2 LEU 6 1HD2 LEU 6 3.155 7.722 4.487 53 2HD2 LEU 6 2HD2 LEU 6 4.291 6.664 5.326 54 3HD2 LEU 6 3HD2 LEU 6 4.495 8.414 5.401 55 H ILE 7 H ILE 7 1.538 11.303 8.904 56 HA ILE 7 HA ILE 7 1.403 13.596 7.210 57 HB ILE 7 HB ILE 7 0.085 14.560 8.887 58 1HG1 ILE 7 2HG1 ILE 7 0.376 13.581 11.354 59 2HG1 ILE 7 1HG1 ILE 7 2.017 13.323 10.781 60 1HG2 ILE 7 1HG2 ILE 7 -1.226 12.768 9.955 61 2HG2 ILE 7 2HG2 ILE 7 0.023 11.609 9.522 62 3HG2 ILE 7 3HG2 ILE 7 -0.894 12.423 8.260 63 1HD1 ILE 7 1HD1 ILE 7 2.255 15.488 11.509 64 2HD1 ILE 7 2HD1 ILE 7 0.557 15.874 11.235 65 3HD1 ILE 7 3HD1 ILE 7 1.678 15.821 9.876 66 H LYS 8 H LYS 8 3.441 12.805 9.971 67 HA LYS 8 HA LYS 8 4.862 15.323 10.043 68 1HB LYS 8 2HB LYS 8 6.057 12.646 10.765 69 2HB LYS 8 1HB LYS 8 6.326 14.200 11.540 70 1HG LYS 8 2HG LYS 8 4.004 14.161 12.407 71 2HG LYS 8 1HG LYS 8 3.761 12.582 11.660 72 1HD LYS 8 2HD LYS 8 5.774 13.260 13.823 73 2HD LYS 8 1HD LYS 8 4.336 12.258 14.005 74 1HE LYS 8 2HE LYS 8 5.549 10.445 13.383 75 2HE LYS 8 1HE LYS 8 5.864 11.202 11.812 76 1HZ LYS 8 1HZ LYS 8 7.599 12.554 12.952 77 2HZ LYS 8 2HZ LYS 8 7.953 10.893 12.885 78 3HZ LYS 8 3HZ LYS 8 7.391 11.587 14.331 79 H ALA 9 H ALA 9 5.248 12.255 8.326 80 HA ALA 9 HA ALA 9 7.798 12.562 7.177 81 1HB ALA 9 1HB ALA 9 5.946 10.712 7.055 82 2HB ALA 9 2HB ALA 9 7.043 10.909 5.689 83 3HB ALA 9 3HB ALA 9 5.417 11.585 5.618 84 H ILE 10 H ILE 10 4.672 13.967 6.177 85 HA ILE 10 HA ILE 10 6.025 15.426 3.983 86 HB ILE 10 HB ILE 10 3.298 14.550 4.773 87 1HG1 ILE 10 2HG1 ILE 10 3.025 14.413 2.321 88 2HG1 ILE 10 1HG1 ILE 10 4.583 15.211 2.107 89 1HG2 ILE 10 1HG2 ILE 10 3.653 17.197 3.331 90 2HG2 ILE 10 2HG2 ILE 10 2.995 16.997 4.956 91 3HG2 ILE 10 3HG2 ILE 10 2.127 16.346 3.567 92 1HD1 ILE 10 1HD1 ILE 10 4.895 12.804 1.902 93 2HD1 ILE 10 2HD1 ILE 10 4.099 12.537 3.452 94 3HD1 ILE 10 3HD1 ILE 10 5.661 13.355 3.391 95 H ALA 11 H ALA 11 4.608 15.824 7.173 96 HA ALA 11 HA ALA 11 4.452 18.692 7.126 97 1HB ALA 11 1HB ALA 11 4.132 18.390 9.486 98 2HB ALA 11 2HB ALA 11 5.107 16.924 9.503 99 3HB ALA 11 3HB ALA 11 3.509 16.911 8.762 100 H GLN 12 H GLN 12 7.110 16.504 7.125 101 HA GLN 12 HA GLN 12 8.961 18.698 7.940 102 1HB GLN 12 2HB GLN 12 9.773 17.132 9.373 103 2HB GLN 12 1HB GLN 12 8.672 15.927 8.715 104 1HG GLN 12 2HG GLN 12 10.254 15.321 6.993 105 2HG GLN 12 1HG GLN 12 11.315 16.661 7.426 106 1HE2 GLN 12 1HE2 GLN 12 10.729 13.350 7.992 107 2HE2 GLN 12 2HE2 GLN 12 11.680 13.174 9.386 108 H ASP 13 H ASP 13 8.474 16.006 5.611 109 HA ASP 13 HA ASP 13 10.741 16.735 3.931 110 1HB ASP 13 2HB ASP 13 8.132 15.238 3.485 111 2HB ASP 13 1HB ASP 13 9.365 15.392 2.236 112 H THR 14 H THR 14 7.507 17.755 4.445 113 HA THR 14 HA THR 14 7.608 19.739 2.218 114 HB THR 14 HB THR 14 5.032 19.248 3.531 115 HG1 THR 14 HG1 THR 14 6.375 17.028 2.386 116 1HG2 THR 14 1HG2 THR 14 6.083 19.672 0.945 117 2HG2 THR 14 2HG2 THR 14 4.391 19.579 1.429 118 3HG2 THR 14 3HG2 THR 14 5.242 18.127 0.918 119 H GLY 15 H GLY 15 5.596 19.679 5.159 120 1HA GLY 15 2HA GLY 15 5.555 21.071 7.048 121 2HA GLY 15 1HA GLY 15 7.221 21.501 6.687 122 H LEU 16 H LEU 16 5.899 22.258 3.902 123 HA LEU 16 HA LEU 16 6.064 24.985 3.837 124 1HB LEU 16 2HB LEU 16 3.700 23.436 2.742 125 2HB LEU 16 1HB LEU 16 4.302 24.977 2.138 126 HG LEU 16 HG LEU 16 6.561 23.541 2.002 127 1HD1 LEU 16 1HD1 LEU 16 4.752 21.597 2.712 128 2HD1 LEU 16 2HD1 LEU 16 6.264 21.297 1.863 129 3HD1 LEU 16 3HD1 LEU 16 4.765 21.460 0.960 130 1HD2 LEU 16 1HD2 LEU 16 6.185 23.486 -0.350 131 2HD2 LEU 16 2HD2 LEU 16 5.162 24.808 0.208 132 3HD2 LEU 16 3HD2 LEU 16 4.455 23.235 -0.144 133 H THR 17 H THR 17 2.945 23.459 4.459 134 HA THR 17 HA THR 17 2.315 25.594 6.425 135 HB THR 17 HB THR 17 1.430 25.547 3.849 136 HG1 THR 17 HG1 THR 17 1.047 27.225 5.280 137 1HG2 THR 17 1HG2 THR 17 -0.937 24.746 3.935 138 2HG2 THR 17 2HG2 THR 17 -0.598 24.013 5.495 139 3HG2 THR 17 3HG2 THR 17 0.250 23.452 4.054 140 H GLN 18 H GLN 18 2.739 22.364 5.916 141 HA GLN 18 HA GLN 18 1.931 20.422 6.984 142 1HB GLN 18 2HB GLN 18 0.717 22.369 8.970 143 2HB GLN 18 1HB GLN 18 1.324 20.742 9.288 144 1HG GLN 18 2HG GLN 18 3.613 21.632 8.523 145 2HG GLN 18 1HG GLN 18 2.908 23.240 8.685 146 1HE2 GLN 18 1HE2 GLN 18 4.553 20.830 10.411 147 2HE2 GLN 18 2HE2 GLN 18 4.186 21.355 11.983 148 H VAL 19 H VAL 19 0.456 22.001 5.012 149 HA VAL 19 HA VAL 19 -2.022 22.630 4.823 150 HB VAL 19 HB VAL 19 -1.031 21.737 2.866 151 1HG1 VAL 19 1HG1 VAL 19 0.466 20.072 3.271 152 2HG1 VAL 19 2HG1 VAL 19 -0.890 19.013 2.894 153 3HG1 VAL 19 3HG1 VAL 19 -0.499 19.383 4.573 154 1HG2 VAL 19 1HG2 VAL 19 -2.909 20.927 1.918 155 2HG2 VAL 19 2HG2 VAL 19 -3.606 20.932 3.535 156 3HG2 VAL 19 3HG2 VAL 19 -2.862 19.466 2.907 157 H SER 20 H SER 20 -2.292 19.198 4.798 158 HA SER 20 HA SER 20 -3.868 19.196 7.280 159 1HB SER 20 2HB SER 20 -4.673 18.792 4.512 160 2HB SER 20 1HB SER 20 -5.085 17.424 5.517 161 HG SER 20 HG SER 20 -5.831 19.294 6.995 162 H VAL 21 H VAL 21 -1.082 18.354 6.330 163 HA VAL 21 HA VAL 21 -0.326 15.926 5.729 164 HB VAL 21 HB VAL 21 1.100 15.869 7.769 165 1HG1 VAL 21 1HG1 VAL 21 2.334 17.726 7.143 166 2HG1 VAL 21 2HG1 VAL 21 0.905 18.750 7.000 167 3HG1 VAL 21 3HG1 VAL 21 1.272 17.567 5.745 168 1HG2 VAL 21 1HG2 VAL 21 -0.440 16.541 9.482 169 2HG2 VAL 21 2HG2 VAL 21 -0.810 18.045 8.643 170 3HG2 VAL 21 3HG2 VAL 21 0.775 17.812 9.378 171 H SER 22 H SER 22 -2.290 16.612 8.501 172 HA SER 22 HA SER 22 -2.675 13.767 9.224 173 1HB SER 22 2HB SER 22 -3.543 16.466 10.206 174 2HB SER 22 1HB SER 22 -4.456 15.053 10.726 175 HG SER 22 HG SER 22 -2.212 15.932 11.720 176 H LYS 23 H LYS 23 -4.512 16.370 7.658 177 HA LYS 23 HA LYS 23 -6.833 14.637 7.231 178 1HB LYS 23 2HB LYS 23 -6.205 17.423 7.310 179 2HB LYS 23 1HB LYS 23 -6.960 17.065 5.757 180 1HG LYS 23 2HG LYS 23 -8.513 15.621 7.522 181 2HG LYS 23 1HG LYS 23 -8.128 17.071 8.449 182 1HD LYS 23 2HD LYS 23 -9.478 16.902 5.746 183 2HD LYS 23 1HD LYS 23 -10.125 17.586 7.237 184 1HE LYS 23 2HE LYS 23 -7.958 19.149 7.025 185 2HE LYS 23 1HE LYS 23 -8.172 18.769 5.306 186 1HZ LYS 23 1HZ LYS 23 -9.505 20.713 6.145 187 2HZ LYS 23 2HZ LYS 23 -10.410 19.608 7.065 188 3HZ LYS 23 3HZ LYS 23 -10.403 19.502 5.368 189 H MET 24 H MET 24 -4.125 15.947 5.211 190 HA MET 24 HA MET 24 -5.343 14.968 2.775 191 1HB MET 24 2HB MET 24 -2.658 14.983 2.203 192 2HB MET 24 1HB MET 24 -3.718 16.374 2.054 193 1HG MET 24 2HG MET 24 -2.706 17.455 3.772 194 2HG MET 24 1HG MET 24 -2.651 15.997 4.763 195 1HE MET 24 1HE MET 24 -1.309 14.346 4.802 196 2HE MET 24 2HE MET 24 0.281 14.120 4.076 197 3HE MET 24 3HE MET 24 -1.169 13.840 3.114 198 H LEU 25 H LEU 25 -3.089 13.537 5.186 199 HA LEU 25 HA LEU 25 -2.813 11.057 3.662 200 1HB LEU 25 2HB LEU 25 -2.185 12.091 6.394 201 2HB LEU 25 1HB LEU 25 -2.233 10.341 6.169 202 HG LEU 25 HG LEU 25 -0.724 12.098 4.258 203 1HD1 LEU 25 1HD1 LEU 25 0.413 10.827 6.761 204 2HD1 LEU 25 2HD1 LEU 25 0.052 12.543 6.597 205 3HD1 LEU 25 3HD1 LEU 25 1.287 11.803 5.582 206 1HD2 LEU 25 1HD2 LEU 25 0.642 9.807 4.375 207 2HD2 LEU 25 2HD2 LEU 25 -0.795 9.963 3.365 208 3HD2 LEU 25 3HD2 LEU 25 -0.908 9.195 4.948 209 H ALA 26 H ALA 26 -4.781 12.132 6.445 210 HA ALA 26 HA ALA 26 -6.293 9.767 6.834 211 1HB ALA 26 1HB ALA 26 -7.998 11.408 7.728 212 2HB ALA 26 2HB ALA 26 -6.995 12.709 7.083 213 3HB ALA 26 3HB ALA 26 -6.370 11.662 8.359 214 H SER 27 H SER 27 -6.546 12.377 4.486 215 HA SER 27 HA SER 27 -9.032 11.352 3.303 216 1HB SER 27 2HB SER 27 -8.809 13.273 1.875 217 2HB SER 27 1HB SER 27 -8.274 13.788 3.471 218 HG SER 27 HG SER 27 -6.922 14.147 1.404 219 H PHE 28 H PHE 28 -5.555 11.238 2.737 220 HA PHE 28 HA PHE 28 -5.468 10.221 0.085 221 1HB PHE 28 2HB PHE 28 -3.385 10.756 0.936 222 2HB PHE 28 1HB PHE 28 -3.792 10.188 2.548 223 HD1 PHE 28 HD1 PHE 28 -3.768 7.709 3.050 224 HD2 PHE 28 HD2 PHE 28 -2.321 9.310 -0.661 225 HE1 PHE 28 HE1 PHE 28 -2.520 5.626 2.638 226 HE2 PHE 28 HE2 PHE 28 -1.073 7.225 -1.069 227 HZ PHE 28 HZ PHE 28 -1.168 5.373 0.571 228 H GLU 29 H GLU 29 -5.710 8.483 3.195 229 HA GLU 29 HA GLU 29 -5.983 5.879 1.961 230 1HB GLU 29 2HB GLU 29 -6.298 7.189 4.639 231 2HB GLU 29 1HB GLU 29 -6.946 5.559 4.417 232 1HG GLU 29 2HG GLU 29 -4.897 4.676 4.447 233 2HG GLU 29 1HG GLU 29 -4.357 5.779 3.195 234 H LYS 30 H LYS 30 -8.038 8.458 3.089 235 HA LYS 30 HA LYS 30 -10.571 7.140 2.745 236 1HB LYS 30 2HB LYS 30 -10.033 9.300 3.994 237 2HB LYS 30 1HB LYS 30 -9.928 10.080 2.415 238 1HG LYS 30 2HG LYS 30 -12.247 9.215 1.926 239 2HG LYS 30 1HG LYS 30 -12.340 8.701 3.611 240 1HD LYS 30 2HD LYS 30 -11.885 11.046 4.321 241 2HD LYS 30 1HD LYS 30 -11.898 11.536 2.626 242 1HE LYS 30 2HE LYS 30 -14.251 10.474 2.514 243 2HE LYS 30 1HE LYS 30 -14.202 10.501 4.289 244 1HZ LYS 30 1HZ LYS 30 -13.710 12.830 2.506 245 2HZ LYS 30 2HZ LYS 30 -13.638 12.850 4.204 246 3HZ LYS 30 3HZ LYS 30 -15.117 12.570 3.417 247 H ILE 31 H ILE 31 -8.227 8.494 0.524 248 HA ILE 31 HA ILE 31 -10.245 8.370 -1.668 249 HB ILE 31 HB ILE 31 -8.412 9.575 -2.916 250 1HG1 ILE 31 2HG1 ILE 31 -7.119 10.849 -0.822 251 2HG1 ILE 31 1HG1 ILE 31 -7.049 9.136 -0.452 252 1HG2 ILE 31 1HG2 ILE 31 -9.320 11.121 -0.516 253 2HG2 ILE 31 2HG2 ILE 31 -10.482 10.555 -1.717 254 3HG2 ILE 31 3HG2 ILE 31 -9.195 11.665 -2.190 255 1HD1 ILE 31 1HD1 ILE 31 -6.208 8.667 -2.722 256 2HD1 ILE 31 2HD1 ILE 31 -5.136 9.762 -1.847 257 3HD1 ILE 31 3HD1 ILE 31 -6.238 10.396 -3.070 258 H ILE 32 H ILE 32 -7.270 7.048 -0.470 259 HA ILE 32 HA ILE 32 -6.644 5.463 -2.824 260 HB ILE 32 HB ILE 32 -5.888 5.081 0.104 261 1HG1 ILE 32 2HG1 ILE 32 -5.242 7.218 -1.570 262 2HG1 ILE 32 1HG1 ILE 32 -4.316 6.717 -0.158 263 1HG2 ILE 32 1HG2 ILE 32 -4.612 4.025 -2.458 264 2HG2 ILE 32 2HG2 ILE 32 -5.567 3.069 -1.332 265 3HG2 ILE 32 3HG2 ILE 32 -4.021 3.744 -0.820 266 1HD1 ILE 32 1HD1 ILE 32 -2.839 5.376 -1.512 267 2HD1 ILE 32 2HD1 ILE 32 -2.955 6.964 -2.272 268 3HD1 ILE 32 3HD1 ILE 32 -3.856 5.600 -2.935 269 H THR 33 H THR 33 -8.151 4.846 0.336 270 HA THR 33 HA THR 33 -8.988 2.185 -0.335 271 HB THR 33 HB THR 33 -8.976 3.933 1.907 272 HG1 THR 33 HG1 THR 33 -9.978 1.305 1.741 273 1HG2 THR 33 1HG2 THR 33 -11.228 3.462 2.855 274 2HG2 THR 33 2HG2 THR 33 -11.720 2.819 1.289 275 3HG2 THR 33 3HG2 THR 33 -11.293 4.523 1.449 276 H GLU 34 H GLU 34 -10.526 5.395 -0.353 277 HA GLU 34 HA GLU 34 -13.099 4.503 -1.287 278 1HB GLU 34 2HB GLU 34 -11.552 7.078 -1.198 279 2HB GLU 34 1HB GLU 34 -13.169 7.020 -1.897 280 1HG GLU 34 2HG GLU 34 -12.481 6.029 0.897 281 2HG GLU 34 1HG GLU 34 -13.193 7.607 0.555 282 H THR 35 H THR 35 -10.186 5.739 -3.069 283 HA THR 35 HA THR 35 -11.352 5.884 -5.647 284 HB THR 35 HB THR 35 -8.589 5.062 -4.717 285 HG1 THR 35 HG1 THR 35 -8.113 7.116 -5.220 286 1HG2 THR 35 1HG2 THR 35 -8.358 5.760 -7.388 287 2HG2 THR 35 2HG2 THR 35 -9.847 4.817 -7.365 288 3HG2 THR 35 3HG2 THR 35 -8.347 4.108 -6.770 289 H VAL 36 H VAL 36 -9.804 3.059 -4.069 290 HA VAL 36 HA VAL 36 -10.384 1.180 -6.133 291 HB VAL 36 HB VAL 36 -9.713 1.224 -3.280 292 1HG1 VAL 36 1HG1 VAL 36 -11.787 0.092 -2.878 293 2HG1 VAL 36 2HG1 VAL 36 -10.538 -1.153 -2.894 294 3HG1 VAL 36 3HG1 VAL 36 -11.578 -0.931 -4.299 295 1HG2 VAL 36 1HG2 VAL 36 -8.869 0.016 -5.761 296 2HG2 VAL 36 2HG2 VAL 36 -8.986 -1.221 -4.509 297 3HG2 VAL 36 3HG2 VAL 36 -7.968 0.197 -4.257 298 H ALA 37 H ALA 37 -12.332 2.543 -3.534 299 HA ALA 37 HA ALA 37 -14.716 0.968 -4.173 300 1HB ALA 37 1HB ALA 37 -14.216 3.387 -2.432 301 2HB ALA 37 2HB ALA 37 -14.167 1.707 -1.914 302 3HB ALA 37 3HB ALA 37 -15.691 2.428 -2.432 303 H LYS 38 H LYS 38 -13.174 3.621 -5.558 304 HA LYS 38 HA LYS 38 -15.713 4.849 -6.541 305 1HB LYS 38 2HB LYS 38 -12.778 5.613 -6.720 306 2HB LYS 38 1HB LYS 38 -14.051 6.510 -7.536 307 1HG LYS 38 2HG LYS 38 -13.733 6.126 -4.547 308 2HG LYS 38 1HG LYS 38 -13.568 7.628 -5.444 309 1HD LYS 38 2HD LYS 38 -15.750 7.991 -5.008 310 2HD LYS 38 1HD LYS 38 -16.102 6.697 -6.153 311 1HE LYS 38 2HE LYS 38 -15.614 5.141 -4.051 312 2HE LYS 38 1HE LYS 38 -16.057 6.607 -3.155 313 1HZ LYS 38 1HZ LYS 38 -18.004 5.230 -3.734 314 2HZ LYS 38 2HZ LYS 38 -17.646 5.443 -5.382 315 3HZ LYS 38 3HZ LYS 38 -18.076 6.779 -4.425 316 H GLY 39 H GLY 39 -13.043 2.834 -7.335 317 1HA GLY 39 2HA GLY 39 -13.304 1.202 -9.081 318 2HA GLY 39 1HA GLY 39 -14.244 2.384 -9.988 319 H ASP 40 H ASP 40 -11.108 2.869 -8.356 320 HA ASP 40 HA ASP 40 -9.875 3.207 -11.068 321 1HB ASP 40 2HB ASP 40 -10.555 5.223 -9.128 322 2HB ASP 40 1HB ASP 40 -8.801 5.167 -9.312 323 H LYS 41 H LYS 41 -7.660 2.720 -11.145 324 HA LYS 41 HA LYS 41 -6.577 1.232 -8.809 325 1HB LYS 41 2HB LYS 41 -5.656 1.394 -11.703 326 2HB LYS 41 1HB LYS 41 -5.124 0.220 -10.500 327 1HG LYS 41 2HG LYS 41 -7.319 -0.778 -10.398 328 2HG LYS 41 1HG LYS 41 -8.005 0.504 -11.395 329 1HD LYS 41 2HD LYS 41 -5.795 -1.328 -12.357 330 2HD LYS 41 1HD LYS 41 -7.507 -1.662 -12.625 331 1HE LYS 41 2HE LYS 41 -7.379 0.927 -13.478 332 2HE LYS 41 1HE LYS 41 -5.762 0.349 -13.926 333 1HZ LYS 41 1HZ LYS 41 -7.440 -0.150 -15.640 334 2HZ LYS 41 2HZ LYS 41 -8.301 -1.085 -14.512 335 3HZ LYS 41 3HZ LYS 41 -6.741 -1.555 -14.997 336 H VAL 42 H VAL 42 -5.590 2.778 -7.526 337 HA VAL 42 HA VAL 42 -4.177 5.080 -8.641 338 HB VAL 42 HB VAL 42 -4.776 3.904 -5.978 339 1HG1 VAL 42 1HG1 VAL 42 -3.223 5.794 -5.030 340 2HG1 VAL 42 2HG1 VAL 42 -2.351 5.575 -6.546 341 3HG1 VAL 42 3HG1 VAL 42 -2.531 4.222 -5.429 342 1HG2 VAL 42 1HG2 VAL 42 -5.857 5.914 -5.647 343 2HG2 VAL 42 2HG2 VAL 42 -5.908 5.841 -7.408 344 3HG2 VAL 42 3HG2 VAL 42 -4.680 6.818 -6.601 345 H GLN 43 H GLN 43 -1.870 5.440 -8.600 346 HA GLN 43 HA GLN 43 -0.179 3.009 -8.186 347 1HB GLN 43 2HB GLN 43 0.153 4.818 -10.574 348 2HB GLN 43 1HB GLN 43 0.706 3.157 -10.370 349 1HG GLN 43 2HG GLN 43 -1.773 2.509 -10.252 350 2HG GLN 43 1HG GLN 43 -2.115 4.135 -10.846 351 1HE2 GLN 43 1HE2 GLN 43 0.302 1.578 -11.696 352 2HE2 GLN 43 2HE2 GLN 43 0.019 1.669 -13.367 353 H LEU 44 H LEU 44 0.792 4.026 -6.319 354 HA LEU 44 HA LEU 44 1.715 6.725 -6.200 355 1HB LEU 44 2HB LEU 44 2.893 4.227 -4.936 356 2HB LEU 44 1HB LEU 44 3.120 5.873 -4.362 357 HG LEU 44 HG LEU 44 0.554 4.266 -4.383 358 1HD1 LEU 44 1HD1 LEU 44 2.270 5.565 -2.251 359 2HD1 LEU 44 2HD1 LEU 44 1.869 3.861 -2.414 360 3HD1 LEU 44 3HD1 LEU 44 0.628 5.008 -1.944 361 1HD2 LEU 44 1HD2 LEU 44 -0.359 6.304 -4.950 362 2HD2 LEU 44 2HD2 LEU 44 1.028 7.209 -4.345 363 3HD2 LEU 44 3HD2 LEU 44 -0.173 6.579 -3.218 364 H THR 45 H THR 45 3.091 7.591 -7.713 365 HA THR 45 HA THR 45 4.751 7.649 -9.413 366 HB THR 45 HB THR 45 6.158 8.356 -7.733 367 HG1 THR 45 HG1 THR 45 8.025 7.217 -7.898 368 1HG2 THR 45 1HG2 THR 45 5.799 5.685 -6.345 369 2HG2 THR 45 2HG2 THR 45 5.009 7.194 -5.908 370 3HG2 THR 45 3HG2 THR 45 6.753 7.031 -5.734 371 H GLY 46 H GLY 46 6.254 4.858 -7.860 372 1HA GLY 46 2HA GLY 46 5.297 3.062 -9.989 373 2HA GLY 46 1HA GLY 46 7.033 3.377 -9.952 374 H PHE 47 H PHE 47 5.118 3.245 -6.978 375 HA PHE 47 HA PHE 47 6.363 0.594 -6.448 376 1HB PHE 47 2HB PHE 47 7.061 1.306 -4.292 377 2HB PHE 47 1HB PHE 47 7.585 2.526 -5.435 378 HD1 PHE 47 HD1 PHE 47 4.671 1.744 -3.173 379 HD2 PHE 47 HD2 PHE 47 7.167 4.746 -4.951 380 HE1 PHE 47 HE1 PHE 47 3.552 3.485 -1.821 381 HE2 PHE 47 HE2 PHE 47 6.048 6.460 -3.612 382 HZ PHE 47 HZ PHE 47 4.233 5.850 -2.047 383 H LEU 48 H LEU 48 3.537 2.631 -5.883 384 HA LEU 48 HA LEU 48 2.290 0.185 -4.700 385 1HB LEU 48 2HB LEU 48 2.417 2.964 -3.823 386 2HB LEU 48 1HB LEU 48 0.797 2.289 -3.768 387 HG LEU 48 HG LEU 48 3.180 1.642 -2.121 388 1HD1 LEU 48 1HD1 LEU 48 0.527 0.825 -1.224 389 2HD1 LEU 48 2HD1 LEU 48 0.589 2.515 -1.724 390 3HD1 LEU 48 3HD1 LEU 48 1.684 1.924 -0.473 391 1HD2 LEU 48 1HD2 LEU 48 3.144 -0.493 -3.149 392 2HD2 LEU 48 2HD2 LEU 48 1.382 -0.502 -3.263 393 3HD2 LEU 48 3HD2 LEU 48 2.165 -0.695 -1.697 394 H ASN 49 H ASN 49 1.258 -0.627 -6.468 395 HA ASN 49 HA ASN 49 -0.559 1.202 -7.998 396 1HB ASN 49 2HB ASN 49 1.339 -0.162 -9.065 397 2HB ASN 49 1HB ASN 49 0.371 -1.591 -8.705 398 1HD2 ASN 49 1HD2 ASN 49 0.807 -1.167 -11.375 399 2HD2 ASN 49 2HD2 ASN 49 -0.582 -0.553 -12.135 400 H ILE 50 H ILE 50 -2.309 1.042 -6.365 401 HA ILE 50 HA ILE 50 -3.400 -1.577 -5.637 402 HB ILE 50 HB ILE 50 -5.144 -0.161 -4.579 403 1HG1 ILE 50 2HG1 ILE 50 -3.919 2.403 -5.054 404 2HG1 ILE 50 1HG1 ILE 50 -4.389 1.666 -6.586 405 1HG2 ILE 50 1HG2 ILE 50 -3.406 -0.352 -3.080 406 2HG2 ILE 50 2HG2 ILE 50 -3.355 1.391 -3.342 407 3HG2 ILE 50 3HG2 ILE 50 -2.229 0.339 -4.198 408 1HD1 ILE 50 1HD1 ILE 50 -6.612 1.837 -6.127 409 2HD1 ILE 50 2HD1 ILE 50 -6.108 3.033 -4.931 410 3HD1 ILE 50 3HD1 ILE 50 -6.392 1.364 -4.443 411 H LYS 51 H LYS 51 -5.360 -2.513 -6.447 412 HA LYS 51 HA LYS 51 -6.869 -1.040 -8.515 413 1HB LYS 51 2HB LYS 51 -6.435 -2.964 -10.165 414 2HB LYS 51 1HB LYS 51 -5.088 -1.863 -9.882 415 1HG LYS 51 2HG LYS 51 -4.038 -3.422 -8.367 416 2HG LYS 51 1HG LYS 51 -5.452 -4.473 -8.390 417 1HD LYS 51 2HD LYS 51 -4.221 -3.835 -11.023 418 2HD LYS 51 1HD LYS 51 -3.314 -4.913 -9.961 419 1HE LYS 51 2HE LYS 51 -5.663 -6.109 -9.676 420 2HE LYS 51 1HE LYS 51 -5.995 -5.340 -11.241 421 1HZ LYS 51 1HZ LYS 51 -4.011 -6.276 -12.148 422 2HZ LYS 51 2HZ LYS 51 -4.890 -7.542 -11.432 423 3HZ LYS 51 3HZ LYS 51 -3.534 -6.892 -10.641 424 HA PRO 52 HA PRO 52 -9.715 -3.776 -6.414 425 1HB PRO 52 2HB PRO 52 -12.008 -2.620 -7.314 426 2HB PRO 52 1HB PRO 52 -11.016 -1.916 -6.023 427 1HG PRO 52 2HG PRO 52 -11.269 -1.134 -8.856 428 2HG PRO 52 1HG PRO 52 -10.934 -0.143 -7.431 429 1HD PRO 52 2HD PRO 52 -9.051 -1.006 -9.304 430 2HD PRO 52 1HD PRO 52 -8.694 -0.356 -7.690 431 H VAL 53 H VAL 53 -10.741 -5.619 -7.010 432 HA VAL 53 HA VAL 53 -11.657 -5.991 -9.807 433 HB VAL 53 HB VAL 53 -10.427 -8.120 -9.921 434 1HG1 VAL 53 1HG1 VAL 53 -9.388 -5.943 -10.670 435 2HG1 VAL 53 2HG1 VAL 53 -8.207 -7.164 -10.197 436 3HG1 VAL 53 3HG1 VAL 53 -8.598 -5.842 -9.098 437 1HG2 VAL 53 1HG2 VAL 53 -10.074 -8.966 -7.804 438 2HG2 VAL 53 2HG2 VAL 53 -9.848 -7.368 -7.100 439 3HG2 VAL 53 3HG2 VAL 53 -8.533 -8.128 -7.993 440 H ALA 54 H ALA 54 -13.747 -6.562 -9.559 441 HA ALA 54 HA ALA 54 -14.499 -8.253 -7.196 442 1HB ALA 54 1HB ALA 54 -16.788 -7.122 -7.827 443 2HB ALA 54 2HB ALA 54 -15.762 -6.008 -8.728 444 3HB ALA 54 3HB ALA 54 -15.558 -6.181 -6.990 445 H ARG 55 H ARG 55 -15.828 -10.020 -7.445 446 HA ARG 55 HA ARG 55 -17.272 -10.534 -9.956 447 1HB ARG 55 2HB ARG 55 -14.679 -11.872 -9.240 448 2HB ARG 55 1HB ARG 55 -15.909 -12.813 -10.078 449 1HG ARG 55 2HG ARG 55 -15.108 -11.928 -11.991 450 2HG ARG 55 1HG ARG 55 -15.851 -10.412 -11.487 451 1HD ARG 55 2HD ARG 55 -13.797 -9.472 -11.274 452 2HD ARG 55 1HD ARG 55 -13.338 -10.720 -10.099 453 HE ARG 55 HE ARG 55 -13.296 -11.442 -12.983 454 1HH1 ARG 55 2HH1 ARG 55 -12.089 -12.833 -10.440 455 2HH1 ARG 55 1HH1 ARG 55 -10.404 -12.587 -10.753 456 1HH2 ARG 55 1HH2 ARG 55 -10.937 -10.213 -13.222 457 2HH2 ARG 55 2HH2 ARG 55 -9.751 -11.103 -12.328 458 H GLN 56 H GLN 56 -17.034 -10.683 -6.752 459 HA GLN 56 HA GLN 56 -19.145 -11.584 -5.656 460 1HB GLN 56 2HB GLN 56 -19.377 -14.001 -5.627 461 2HB GLN 56 1HB GLN 56 -19.429 -13.401 -7.277 462 1HG GLN 56 2HG GLN 56 -17.717 -14.791 -7.811 463 2HG GLN 56 1HG GLN 56 -16.694 -13.930 -6.661 464 1HE2 GLN 56 1HE2 GLN 56 -18.237 -14.679 -4.270 465 2HE2 GLN 56 2HE2 GLN 56 -17.981 -16.336 -4.020 466 H ALA 57 H ALA 57 -16.011 -11.187 -5.307 467 HA ALA 57 HA ALA 57 -15.725 -11.390 -2.607 468 1HB ALA 57 1HB ALA 57 -15.865 -14.086 -3.861 469 2HB ALA 57 2HB ALA 57 -16.365 -13.571 -2.250 470 3HB ALA 57 3HB ALA 57 -14.661 -13.866 -2.595 471 H ARG 58 H ARG 58 -13.465 -12.213 -1.881 472 HA ARG 58 HA ARG 58 -11.454 -10.967 -3.622 473 1HB ARG 58 2HB ARG 58 -12.126 -10.968 -0.986 474 2HB ARG 58 1HB ARG 58 -10.829 -12.160 -0.985 475 1HG ARG 58 2HG ARG 58 -10.012 -9.997 -2.631 476 2HG ARG 58 1HG ARG 58 -10.660 -9.308 -1.144 477 1HD ARG 58 2HD ARG 58 -8.703 -9.825 -0.120 478 2HD ARG 58 1HD ARG 58 -9.072 -11.542 -0.373 479 HE ARG 58 HE ARG 58 -8.137 -10.969 -2.805 480 1HH1 ARG 58 1HH2 ARG 58 -6.650 -11.243 0.143 481 2HH1 ARG 58 2HH2 ARG 58 -5.188 -10.423 -0.296 482 1HH2 ARG 58 2HH1 ARG 58 -6.419 -9.298 -3.337 483 2HH2 ARG 58 1HH1 ARG 58 -5.058 -9.322 -2.265 484 H LYS 59 H LYS 59 -9.372 -12.622 -2.215 485 HA LYS 59 HA LYS 59 -9.750 -15.373 -3.150 486 1HB LYS 59 2HB LYS 59 -8.606 -13.277 -4.798 487 2HB LYS 59 1HB LYS 59 -7.416 -14.543 -4.501 488 1HG LYS 59 2HG LYS 59 -10.206 -15.339 -5.248 489 2HG LYS 59 1HG LYS 59 -9.120 -14.762 -6.512 490 1HD LYS 59 2HD LYS 59 -7.702 -16.568 -6.316 491 2HD LYS 59 1HD LYS 59 -8.047 -16.786 -4.600 492 1HE LYS 59 2HE LYS 59 -9.367 -18.523 -5.267 493 2HE LYS 59 1HE LYS 59 -10.508 -17.279 -5.813 494 1HZ LYS 59 1HZ LYS 59 -9.417 -17.199 -7.936 495 2HZ LYS 59 2HZ LYS 59 -9.845 -18.810 -7.611 496 3HZ LYS 59 3HZ LYS 59 -8.234 -18.303 -7.428 497 H GLY 60 H GLY 60 -9.184 -14.455 -0.557 498 1HA GLY 60 2HA GLY 60 -6.613 -15.744 -0.061 499 2HA GLY 60 1HA GLY 60 -6.586 -14.017 0.265 500 H PHE 61 H PHE 61 -9.424 -16.080 0.846 501 HA PHE 61 HA PHE 61 -9.337 -15.237 3.627 502 1HB PHE 61 2HB PHE 61 -11.615 -15.450 3.559 503 2HB PHE 61 1HB PHE 61 -11.308 -15.365 1.833 504 HD1 PHE 61 HD1 PHE 61 -13.337 -16.935 3.965 505 HD2 PHE 61 HD2 PHE 61 -10.330 -18.028 1.103 506 HE1 PHE 61 HE1 PHE 61 -14.421 -19.119 3.668 507 HE2 PHE 61 HE2 PHE 61 -11.411 -20.218 0.819 508 HZ PHE 61 HZ PHE 61 -13.470 -20.770 2.081 509 H ASN 62 H ASN 62 -8.338 -16.418 5.153 510 HA ASN 62 HA ASN 62 -8.267 -19.376 4.785 511 1HB ASN 62 2HB ASN 62 -6.083 -19.360 5.647 512 2HB ASN 62 1HB ASN 62 -6.161 -17.943 4.606 513 1HD2 ASN 62 1HD2 ASN 62 -6.309 -18.949 8.037 514 2HD2 ASN 62 2HD2 ASN 62 -5.872 -17.433 8.665 515 HA PRO 63 HA PRO 63 -9.070 -18.655 9.444 516 1HB PRO 63 2HB PRO 63 -10.584 -16.476 10.107 517 2HB PRO 63 1HB PRO 63 -8.810 -16.454 10.092 518 1HG PRO 63 2HG PRO 63 -10.732 -15.368 8.118 519 2HG PRO 63 1HG PRO 63 -9.142 -14.763 8.602 520 1HD PRO 63 2HD PRO 63 -9.674 -16.160 6.282 521 2HD PRO 63 1HD PRO 63 -8.069 -15.996 7.026 522 H GLN 64 H GLN 64 -11.051 -18.361 6.753 523 HA GLN 64 HA GLN 64 -13.619 -18.934 8.079 524 1HB GLN 64 2HB GLN 64 -12.886 -17.568 5.891 525 2HB GLN 64 1HB GLN 64 -13.180 -19.150 5.175 526 1HG GLN 64 2HG GLN 64 -15.161 -17.708 6.956 527 2HG GLN 64 1HG GLN 64 -15.218 -17.681 5.194 528 1HE2 GLN 64 1HE2 GLN 64 -15.909 -19.615 8.028 529 2HE2 GLN 64 2HE2 GLN 64 -16.553 -20.951 7.201 530 H THR 65 H THR 65 -11.694 -20.941 8.651 531 HA THR 65 HA THR 65 -11.323 -23.269 8.458 532 HB THR 65 HB THR 65 -13.343 -24.483 8.391 533 HG1 THR 65 HG1 THR 65 -14.605 -22.462 6.885 534 1HG2 THR 65 1HG2 THR 65 -13.334 -22.512 10.032 535 2HG2 THR 65 2HG2 THR 65 -14.907 -23.221 9.660 536 3HG2 THR 65 3HG2 THR 65 -14.419 -21.706 8.897 537 H GLN 66 H GLN 66 -10.849 -21.417 6.072 538 HA GLN 66 HA GLN 66 -10.350 -23.524 4.086 539 1HB GLN 66 2HB GLN 66 -12.480 -21.492 3.941 540 2HB GLN 66 1HB GLN 66 -11.516 -21.697 2.478 541 1HG GLN 66 2HG GLN 66 -12.441 -23.704 2.018 542 2HG GLN 66 1HG GLN 66 -12.271 -24.254 3.683 543 1HE2 GLN 66 1HE2 GLN 66 -13.855 -22.376 5.059 544 2HE2 GLN 66 2HE2 GLN 66 -15.466 -22.506 4.542 545 H GLU 67 H GLU 67 -8.189 -23.116 3.790 546 HA GLU 67 HA GLU 67 -6.516 -21.145 4.267 547 1HB GLU 67 2HB GLU 67 -6.859 -23.059 2.034 548 2HB GLU 67 1HB GLU 67 -5.698 -21.760 1.751 549 1HG GLU 67 2HG GLU 67 -4.388 -22.373 3.634 550 2HG GLU 67 1HG GLU 67 -5.671 -23.387 4.296 551 H ALA 68 H ALA 68 -5.786 -19.314 3.329 552 HA ALA 68 HA ALA 68 -7.636 -17.368 2.434 553 1HB ALA 68 1HB ALA 68 -5.302 -16.347 1.627 554 2HB ALA 68 2HB ALA 68 -4.692 -17.684 2.604 555 3HB ALA 68 3HB ALA 68 -5.740 -16.465 3.331 556 H LEU 69 H LEU 69 -8.684 -17.296 0.506 557 HA LEU 69 HA LEU 69 -7.362 -17.191 -2.029 558 1HB LEU 69 2HB LEU 69 -8.232 -19.508 -2.818 559 2HB LEU 69 1HB LEU 69 -6.783 -19.468 -1.817 560 HG LEU 69 HG LEU 69 -8.925 -19.531 0.003 561 1HD1 LEU 69 1HD1 LEU 69 -9.817 -21.867 -0.956 562 2HD1 LEU 69 2HD1 LEU 69 -9.512 -21.038 -2.483 563 3HD1 LEU 69 3HD1 LEU 69 -10.614 -20.332 -1.301 564 1HD2 LEU 69 1HD2 LEU 69 -6.716 -20.612 0.240 565 2HD2 LEU 69 2HD2 LEU 69 -7.159 -21.782 -1.002 566 3HD2 LEU 69 3HD2 LEU 69 -8.021 -21.760 0.537 567 H GLU 70 H GLU 70 -9.941 -16.375 -0.369 568 HA GLU 70 HA GLU 70 -11.600 -15.477 -2.402 569 1HB GLU 70 2HB GLU 70 -11.708 -18.380 -2.077 570 2HB GLU 70 1HB GLU 70 -13.293 -17.652 -1.845 571 1HG GLU 70 2HG GLU 70 -13.341 -16.736 -4.000 572 2HG GLU 70 1HG GLU 70 -11.589 -16.824 -4.181 573 H ILE 71 H ILE 71 -11.811 -13.933 -0.546 574 HA ILE 71 HA ILE 71 -13.261 -14.836 1.849 575 HB ILE 71 HB ILE 71 -12.748 -12.757 2.697 576 1HG1 ILE 71 2HG1 ILE 71 -12.225 -10.866 0.798 577 2HG1 ILE 71 1HG1 ILE 71 -13.491 -11.806 0.012 578 1HG2 ILE 71 1HG2 ILE 71 -10.655 -12.048 0.908 579 2HG2 ILE 71 2HG2 ILE 71 -10.721 -13.805 0.999 580 3HG2 ILE 71 3HG2 ILE 71 -10.537 -12.856 2.469 581 1HD1 ILE 71 1HD1 ILE 71 -14.154 -11.378 2.794 582 2HD1 ILE 71 2HD1 ILE 71 -15.058 -10.907 1.356 583 3HD1 ILE 71 3HD1 ILE 71 -13.816 -9.837 2.006 584 H ALA 72 H ALA 72 -15.094 -13.097 2.370 585 HA ALA 72 HA ALA 72 -17.415 -13.887 1.110 586 1HB ALA 72 1HB ALA 72 -18.162 -12.512 2.712 587 2HB ALA 72 2HB ALA 72 -17.476 -11.109 1.894 588 3HB ALA 72 3HB ALA 72 -16.488 -12.049 3.010 589 HA PRO 73 HA PRO 73 -18.069 -11.874 -2.780 590 1HB PRO 73 2HB PRO 73 -20.503 -10.657 -2.376 591 2HB PRO 73 1HB PRO 73 -20.307 -12.404 -2.623 592 1HG PRO 73 2HG PRO 73 -20.584 -10.877 -0.065 593 2HG PRO 73 1HG PRO 73 -21.395 -12.371 -0.574 594 1HD PRO 73 2HD PRO 73 -19.306 -12.470 1.077 595 2HD PRO 73 1HD PRO 73 -19.485 -13.679 -0.215 596 H SER 74 H SER 74 -16.826 -10.097 -3.314 597 HA SER 74 HA SER 74 -17.575 -7.396 -2.806 598 1HB SER 74 2HB SER 74 -16.053 -8.800 -0.713 599 2HB SER 74 1HB SER 74 -15.295 -7.296 -1.229 600 HG SER 74 HG SER 74 -17.870 -7.732 -0.151 601 H VAL 75 H VAL 75 -15.757 -5.883 -3.538 602 HA VAL 75 HA VAL 75 -14.467 -6.894 -5.874 603 HB VAL 75 HB VAL 75 -15.073 -4.452 -4.924 604 1HG1 VAL 75 1HG1 VAL 75 -12.073 -4.654 -4.499 605 2HG1 VAL 75 2HG1 VAL 75 -13.246 -4.647 -3.183 606 3HG1 VAL 75 3HG1 VAL 75 -13.091 -3.239 -4.235 607 1HG2 VAL 75 1HG2 VAL 75 -14.368 -3.840 -6.983 608 2HG2 VAL 75 2HG2 VAL 75 -13.786 -5.492 -7.174 609 3HG2 VAL 75 3HG2 VAL 75 -12.693 -4.238 -6.604 610 H GLY 76 H GLY 76 -11.996 -6.705 -6.158 611 1HA GLY 76 2HA GLY 76 -10.692 -8.021 -3.805 612 2HA GLY 76 1HA GLY 76 -10.288 -8.398 -5.484 613 H VAL 77 H VAL 77 -10.575 -5.475 -3.461 614 HA VAL 77 HA VAL 77 -8.967 -3.690 -4.809 615 HB VAL 77 HB VAL 77 -10.113 -3.076 -2.796 616 1HG1 VAL 77 1HG1 VAL 77 -8.853 -5.526 -1.770 617 2HG1 VAL 77 2HG1 VAL 77 -10.349 -4.737 -1.271 618 3HG1 VAL 77 3HG1 VAL 77 -8.805 -4.184 -0.624 619 1HG2 VAL 77 1HG2 VAL 77 -7.201 -2.759 -2.933 620 2HG2 VAL 77 2HG2 VAL 77 -7.818 -2.640 -1.289 621 3HG2 VAL 77 3HG2 VAL 77 -8.441 -1.571 -2.544 622 H SER 78 H SER 78 -7.346 -5.009 -5.905 623 HA SER 78 HA SER 78 -5.244 -6.282 -4.300 624 1HB SER 78 2HB SER 78 -5.545 -7.359 -6.325 625 2HB SER 78 1HB SER 78 -5.967 -5.873 -7.169 626 HG SER 78 HG SER 78 -3.483 -7.012 -6.644 627 H VAL 79 H VAL 79 -2.923 -5.622 -4.986 628 HA VAL 79 HA VAL 79 -2.178 -2.992 -5.764 629 HB VAL 79 HB VAL 79 -3.427 -2.281 -3.784 630 1HG1 VAL 79 1HG1 VAL 79 -2.516 -3.222 -1.516 631 2HG1 VAL 79 2HG1 VAL 79 -1.935 -4.559 -2.508 632 3HG1 VAL 79 3HG1 VAL 79 -3.659 -4.189 -2.449 633 1HG2 VAL 79 1HG2 VAL 79 -1.728 -1.115 -2.562 634 2HG2 VAL 79 2HG2 VAL 79 -1.116 -1.279 -4.207 635 3HG2 VAL 79 3HG2 VAL 79 -0.522 -2.344 -2.934 636 H LYS 80 H LYS 80 0.211 -2.571 -4.793 637 HA LYS 80 HA LYS 80 1.613 -4.779 -3.627 638 1HB LYS 80 2HB LYS 80 2.836 -5.456 -5.716 639 2HB LYS 80 1HB LYS 80 1.114 -5.821 -5.780 640 1HG LYS 80 2HG LYS 80 0.673 -4.148 -7.321 641 2HG LYS 80 1HG LYS 80 2.044 -3.167 -6.805 642 1HD LYS 80 2HD LYS 80 2.874 -5.765 -7.863 643 2HD LYS 80 1HD LYS 80 1.977 -4.813 -9.046 644 1HE LYS 80 2HE LYS 80 3.961 -3.245 -7.521 645 2HE LYS 80 1HE LYS 80 4.662 -4.504 -8.558 646 1HZ LYS 80 1HZ LYS 80 3.285 -3.723 -10.384 647 2HZ LYS 80 2HZ LYS 80 4.272 -2.465 -9.810 648 3HZ LYS 80 3HZ LYS 80 2.623 -2.511 -9.400 649 HA PRO 81 HA PRO 81 4.807 -1.680 -3.701 650 1HB PRO 81 2HB PRO 81 6.890 -3.270 -2.968 651 2HB PRO 81 1HB PRO 81 5.564 -2.867 -1.862 652 1HG PRO 81 2HG PRO 81 6.193 -5.407 -3.144 653 2HG PRO 81 1HG PRO 81 5.116 -5.071 -1.782 654 1HD PRO 81 2HD PRO 81 4.430 -5.489 -4.566 655 2HD PRO 81 1HD PRO 81 3.357 -5.340 -3.159 656 H GLY 82 H GLY 82 6.196 -0.815 -5.240 657 1HA GLY 82 2HA GLY 82 6.986 -2.518 -7.537 658 2HA GLY 82 1HA GLY 82 7.109 -0.758 -7.477 659 H GLU 83 H GLU 83 9.368 -1.045 -8.221 660 HA GLU 83 HA GLU 83 11.247 -2.326 -6.326 661 1HB GLU 83 2HB GLU 83 12.886 -1.819 -8.073 662 2HB GLU 83 1HB GLU 83 11.449 -2.534 -8.803 663 1HG GLU 83 2HG GLU 83 10.630 -0.166 -9.240 664 2HG GLU 83 1HG GLU 83 12.229 0.391 -8.751 665 H SER 84 H SER 84 9.937 0.811 -6.932 666 HA SER 84 HA SER 84 12.034 2.560 -6.239 667 1HB SER 84 2HB SER 84 9.361 2.723 -6.788 668 2HB SER 84 1HB SER 84 9.372 3.120 -5.074 669 HG SER 84 HG SER 84 10.814 4.360 -7.178 670 H LEU 85 H LEU 85 10.023 0.517 -4.163 671 HA LEU 85 HA LEU 85 11.187 1.660 -1.696 672 1HB LEU 85 2HB LEU 85 9.717 -0.909 -1.569 673 2HB LEU 85 1HB LEU 85 9.482 0.556 -0.627 674 HG LEU 85 HG LEU 85 8.621 1.358 -3.108 675 1HD1 LEU 85 1HD1 LEU 85 8.849 -1.395 -3.350 676 2HD1 LEU 85 2HD1 LEU 85 7.854 -0.357 -4.364 677 3HD1 LEU 85 3HD1 LEU 85 7.143 -1.163 -2.965 678 1HD2 LEU 85 1HD2 LEU 85 7.199 1.921 -1.380 679 2HD2 LEU 85 2HD2 LEU 85 7.328 0.333 -0.622 680 3HD2 LEU 85 3HD2 LEU 85 6.295 0.555 -2.034 681 H LYS 86 H LYS 86 11.552 -1.135 -3.802 682 HA LYS 86 HA LYS 86 13.236 -2.643 -1.998 683 1HB LYS 86 2HB LYS 86 11.962 -2.941 -4.513 684 2HB LYS 86 1HB LYS 86 13.683 -3.200 -4.798 685 1HG LYS 86 2HG LYS 86 13.775 -4.925 -3.108 686 2HG LYS 86 1HG LYS 86 12.123 -4.578 -2.596 687 1HD LYS 86 2HD LYS 86 11.630 -5.055 -5.183 688 2HD LYS 86 1HD LYS 86 13.095 -6.023 -5.020 689 1HE LYS 86 2HE LYS 86 12.092 -7.550 -3.616 690 2HE LYS 86 1HE LYS 86 11.045 -6.325 -2.869 691 1HZ LYS 86 1HZ LYS 86 9.873 -6.157 -5.029 692 2HZ LYS 86 2HZ LYS 86 9.705 -7.681 -4.296 693 3HZ LYS 86 3HZ LYS 86 10.779 -7.474 -5.596 694 H LYS 87 H LYS 87 13.775 -0.249 -4.477 695 HA LYS 87 HA LYS 87 16.671 -0.581 -4.464 696 1HB LYS 87 2HB LYS 87 15.468 0.190 -6.454 697 2HB LYS 87 1HB LYS 87 14.763 1.527 -5.545 698 1HG LYS 87 2HG LYS 87 16.670 2.779 -5.652 699 2HG LYS 87 1HG LYS 87 17.720 1.374 -5.469 700 1HD LYS 87 2HD LYS 87 16.414 1.071 -7.967 701 2HD LYS 87 1HD LYS 87 16.956 2.747 -7.887 702 1HE LYS 87 2HE LYS 87 19.158 1.460 -6.897 703 2HE LYS 87 1HE LYS 87 18.560 0.270 -8.071 704 1HZ LYS 87 1HZ LYS 87 19.988 1.946 -9.123 705 2HZ LYS 87 2HZ LYS 87 18.926 3.170 -8.614 706 3HZ LYS 87 3HZ LYS 87 18.405 2.000 -9.729 707 H ALA 88 H ALA 88 14.209 1.440 -2.958 708 HA ALA 88 HA ALA 88 16.030 3.299 -1.680 709 1HB ALA 88 1HB ALA 88 13.181 2.370 -1.282 710 2HB ALA 88 2HB ALA 88 13.744 3.920 -1.909 711 3HB ALA 88 3HB ALA 88 13.917 3.547 -0.194 712 H ALA 89 H ALA 89 14.722 0.110 -0.975 713 HA ALA 89 HA ALA 89 15.515 0.040 1.800 714 1HB ALA 89 1HB ALA 89 14.421 -1.774 -0.272 715 2HB ALA 89 2HB ALA 89 13.930 -1.568 1.410 716 3HB ALA 89 3HB ALA 89 15.325 -2.574 1.016 717 H GLU 90 H GLU 90 17.056 -0.836 -1.249 718 HA GLU 90 HA GLU 90 19.408 -2.071 -0.137 719 1HB GLU 90 2HB GLU 90 18.750 -0.475 -2.634 720 2HB GLU 90 1HB GLU 90 20.384 -1.071 -2.341 721 1HG GLU 90 2HG GLU 90 19.255 -3.373 -1.957 722 2HG GLU 90 1HG GLU 90 17.855 -2.658 -2.760 723 H GLY 91 H GLY 91 18.120 1.144 -0.353 724 1HA GLY 91 2HA GLY 91 20.474 2.687 0.132 725 2HA GLY 91 1HA GLY 91 18.822 3.205 0.467 726 H LEU 92 H LEU 92 17.899 1.568 2.514 727 HA LEU 92 HA LEU 92 19.499 2.529 4.742 728 1HB LEU 92 2HB LEU 92 17.847 1.505 6.101 729 2HB LEU 92 1HB LEU 92 16.989 1.961 4.640 730 HG LEU 92 HG LEU 92 17.596 -0.471 3.850 731 1HD1 LEU 92 1HD1 LEU 92 18.541 -1.839 5.373 732 2HD1 LEU 92 2HD1 LEU 92 17.293 -1.451 6.556 733 3HD1 LEU 92 3HD1 LEU 92 18.738 -0.447 6.436 734 1HD2 LEU 92 1HD2 LEU 92 15.423 0.624 5.483 735 2HD2 LEU 92 2HD2 LEU 92 15.584 -1.126 5.645 736 3HD2 LEU 92 3HD2 LEU 92 15.342 -0.406 4.054 737 H LYS 93 H LYS 93 19.178 -0.630 3.190 738 HA LYS 93 HA LYS 93 21.742 -1.591 3.304 739 1HB LYS 93 2HB LYS 93 22.061 -1.287 5.619 740 2HB LYS 93 1HB LYS 93 20.400 -1.729 6.002 741 1HG LYS 93 2HG LYS 93 20.878 -3.971 6.080 742 2HG LYS 93 1HG LYS 93 21.978 -3.882 4.704 743 1HD LYS 93 2HD LYS 93 23.808 -3.510 6.021 744 2HD LYS 93 1HD LYS 93 22.914 -2.498 7.154 745 1HE LYS 93 2HE LYS 93 23.440 -4.464 8.401 746 2HE LYS 93 1HE LYS 93 21.757 -4.712 7.894 747 1HZ LYS 93 1HZ LYS 93 23.368 -6.592 7.405 748 2HZ LYS 93 2HZ LYS 93 24.047 -5.574 6.224 749 3HZ LYS 93 3HZ LYS 93 22.419 -6.051 6.107 750 H TYR 94 H TYR 94 20.394 -2.659 1.477 751 HA TYR 94 HA TYR 94 18.392 -4.575 2.269 752 1HB TYR 94 2HB TYR 94 18.533 -4.029 -0.099 753 2HB TYR 94 1HB TYR 94 20.227 -4.535 -0.154 754 HD1 TYR 94 HD1 TYR 94 20.288 -6.515 -1.486 755 HD2 TYR 94 HD2 TYR 94 17.298 -6.148 1.585 756 HE1 TYR 94 HE1 TYR 94 19.596 -8.857 -1.873 757 HE2 TYR 94 HE2 TYR 94 16.614 -8.486 1.184 758 HH TYR 94 HH TYR 94 18.198 -10.686 -0.022 759 H GLU 95 H GLU 95 21.831 -5.186 1.268 760 HA GLU 95 HA GLU 95 22.693 -7.499 1.875 761 1HB GLU 95 2HB GLU 95 22.761 -5.554 4.218 762 2HB GLU 95 1HB GLU 95 23.821 -6.951 4.034 763 1HG GLU 95 2HG GLU 95 25.180 -5.254 3.199 764 2HG GLU 95 1HG GLU 95 24.407 -5.828 1.722 765 H ASP 96 H ASP 96 19.984 -7.332 1.755 766 HA ASP 96 HA ASP 96 17.921 -7.661 2.913 767 1HB ASP 96 2HB ASP 96 18.715 -10.315 3.664 768 2HB ASP 96 1HB ASP 96 17.718 -9.814 2.308 769 H PHE 97 H PHE 97 19.635 -6.220 4.644 770 HA PHE 97 HA PHE 97 20.515 -6.253 6.899 771 1HB PHE 97 2HB PHE 97 17.920 -7.362 7.782 772 2HB PHE 97 1HB PHE 97 18.640 -5.803 8.169 773 HD1 PHE 97 HD1 PHE 97 18.613 -4.007 6.259 774 HD2 PHE 97 HD2 PHE 97 16.098 -7.488 6.339 775 HE1 PHE 97 HE1 PHE 97 17.060 -2.926 4.656 776 HE2 PHE 97 HE2 PHE 97 14.546 -6.404 4.739 777 HZ PHE 97 HZ PHE 97 15.028 -4.122 3.897 778 H ALA 98 H ALA 98 20.589 -8.404 5.063 779 HA ALA 98 HA ALA 98 20.018 -10.981 6.183 780 1HB ALA 98 1HB ALA 98 20.718 -9.754 3.837 781 2HB ALA 98 2HB ALA 98 20.639 -11.492 4.067 782 3HB ALA 98 3HB ALA 98 22.178 -10.647 4.228 783 H LYS 99 H LYS 99 22.736 -8.781 6.251 784 HA LYS 99 HA LYS 99 24.586 -10.728 7.485 785 1HB LYS 99 2HB LYS 99 24.618 -8.031 6.290 786 2HB LYS 99 1HB LYS 99 25.734 -8.230 7.640 787 1HG LYS 99 2HG LYS 99 25.880 -10.568 5.976 788 2HG LYS 99 1HG LYS 99 26.062 -9.137 4.961 789 1HD LYS 99 2HD LYS 99 27.561 -9.182 7.541 790 2HD LYS 99 1HD LYS 99 28.145 -10.226 6.246 791 1HE LYS 99 2HE LYS 99 27.447 -7.493 5.360 792 2HE LYS 99 1HE LYS 99 28.822 -7.581 6.479 793 1HZ LYS 99 1HZ LYS 99 29.716 -9.405 5.114 794 2HZ LYS 99 2HZ LYS 99 29.603 -7.949 4.246 795 3HZ LYS 99 3HZ LYS 99 28.458 -9.179 4.000 796 1H MET 1 1H MET 1 -5.494 6.775 -10.824 797 2H MET 1 2H MET 1 -4.098 5.898 -10.410 798 3H MET 1 3H MET 1 -4.210 6.653 -11.927 799 HA MET 1 HA MET 1 -4.024 8.803 -11.004 800 1HB MET 1 2HB MET 1 -4.827 7.226 -8.590 801 2HB MET 1 1HB MET 1 -3.913 8.713 -8.339 802 1HG MET 1 2HG MET 1 -5.636 10.045 -9.024 803 2HG MET 1 1HG MET 1 -6.150 8.911 -10.272 804 1HE MET 1 1HE MET 1 -5.891 9.979 -6.858 805 2HE MET 1 2HE MET 1 -5.949 8.400 -6.080 806 3HE MET 1 3HE MET 1 -7.355 9.461 -6.011 807 H ASN 2 H ASN 2 -2.118 9.557 -9.295 808 HA ASN 2 HA ASN 2 -0.026 7.640 -8.831 809 1HB ASN 2 2HB ASN 2 -0.312 8.228 -11.447 810 2HB ASN 2 1HB ASN 2 0.761 9.546 -10.977 811 1HD2 ASN 2 1HD2 ASN 2 0.907 6.528 -12.267 812 2HD2 ASN 2 2HD2 ASN 2 2.402 6.010 -11.651 813 H LYS 3 H LYS 3 2.213 9.362 -9.129 814 HA LYS 3 HA LYS 3 2.158 10.876 -6.728 815 1HB LYS 3 2HB LYS 3 3.937 10.298 -8.944 816 2HB LYS 3 1HB LYS 3 4.086 11.995 -8.491 817 1HG LYS 3 2HG LYS 3 4.207 11.102 -6.050 818 2HG LYS 3 1HG LYS 3 4.572 9.547 -6.794 819 1HD LYS 3 2HD LYS 3 6.334 10.988 -8.159 820 2HD LYS 3 1HD LYS 3 6.189 12.073 -6.779 821 1HE LYS 3 2HE LYS 3 7.445 10.687 -5.461 822 2HE LYS 3 1HE LYS 3 6.492 9.268 -5.939 823 1HZ LYS 3 1HZ LYS 3 8.752 10.528 -7.377 824 2HZ LYS 3 2HZ LYS 3 7.659 9.495 -8.168 825 3HZ LYS 3 3HZ LYS 3 8.595 8.916 -6.874 826 H THR 4 H THR 4 0.616 11.589 -9.682 827 HA THR 4 HA THR 4 0.572 14.534 -9.077 828 HB THR 4 HB THR 4 0.154 12.969 -11.645 829 HG1 THR 4 HG1 THR 4 2.119 14.070 -12.197 830 1HG2 THR 4 1HG2 THR 4 0.336 15.364 -12.611 831 2HG2 THR 4 2HG2 THR 4 -0.051 15.901 -10.977 832 3HG2 THR 4 3HG2 THR 4 -1.192 14.893 -11.866 833 H GLU 5 H GLU 5 -1.418 11.859 -10.363 834 HA GLU 5 HA GLU 5 -3.903 13.249 -10.272 835 1HB GLU 5 2HB GLU 5 -3.389 10.297 -9.884 836 2HB GLU 5 1HB GLU 5 -4.858 11.033 -10.510 837 1HG GLU 5 2HG GLU 5 -2.935 12.075 -12.185 838 2HG GLU 5 1HG GLU 5 -2.329 10.445 -11.890 839 H LEU 6 H LEU 6 -2.480 10.929 -7.930 840 HA LEU 6 HA LEU 6 -4.477 11.297 -5.903 841 1HB LEU 6 2HB LEU 6 -1.600 10.410 -6.013 842 2HB LEU 6 1HB LEU 6 -2.387 10.598 -4.447 843 HG LEU 6 HG LEU 6 -4.026 9.150 -6.410 844 1HD1 LEU 6 1HD1 LEU 6 -1.311 8.521 -6.467 845 2HD1 LEU 6 2HD1 LEU 6 -2.629 7.476 -6.997 846 3HD1 LEU 6 3HD1 LEU 6 -1.996 7.333 -5.357 847 1HD2 LEU 6 1HD2 LEU 6 -3.716 7.538 -4.236 848 2HD2 LEU 6 2HD2 LEU 6 -4.883 8.857 -4.311 849 3HD2 LEU 6 3HD2 LEU 6 -3.321 9.104 -3.531 850 H ILE 7 H ILE 7 -1.699 13.214 -6.869 851 HA ILE 7 HA ILE 7 -1.367 14.843 -4.562 852 HB ILE 7 HB ILE 7 -0.789 14.905 -7.453 853 1HG1 ILE 7 2HG1 ILE 7 0.648 15.800 -4.956 854 2HG1 ILE 7 1HG1 ILE 7 0.888 14.288 -5.822 855 1HG2 ILE 7 1HG2 ILE 7 -1.796 17.014 -7.597 856 2HG2 ILE 7 2HG2 ILE 7 -0.134 17.426 -7.184 857 3HG2 ILE 7 3HG2 ILE 7 -1.378 17.431 -5.937 858 1HD1 ILE 7 1HD1 ILE 7 1.728 17.057 -6.593 859 2HD1 ILE 7 2HD1 ILE 7 1.383 15.883 -7.863 860 3HD1 ILE 7 3HD1 ILE 7 2.642 15.550 -6.674 861 H LYS 8 H LYS 8 -3.303 15.475 -7.482 862 HA LYS 8 HA LYS 8 -4.771 17.687 -6.489 863 1HB LYS 8 2HB LYS 8 -5.640 17.504 -8.581 864 2HB LYS 8 1HB LYS 8 -4.668 16.051 -8.782 865 1HG LYS 8 2HG LYS 8 -6.553 14.736 -7.744 866 2HG LYS 8 1HG LYS 8 -7.524 16.207 -7.776 867 1HD LYS 8 2HD LYS 8 -8.066 14.976 -9.767 868 2HD LYS 8 1HD LYS 8 -7.054 16.332 -10.267 869 1HE LYS 8 2HE LYS 8 -5.135 14.470 -9.755 870 2HE LYS 8 1HE LYS 8 -6.458 13.428 -10.315 871 1HZ LYS 8 1HZ LYS 8 -5.374 15.829 -11.693 872 2HZ LYS 8 2HZ LYS 8 -6.771 14.996 -12.185 873 3HZ LYS 8 3HZ LYS 8 -5.260 14.221 -12.221 874 H ALA 9 H ALA 9 -5.150 14.188 -6.001 875 HA ALA 9 HA ALA 9 -7.766 14.160 -4.868 876 1HB ALA 9 1HB ALA 9 -5.540 12.500 -3.735 877 2HB ALA 9 2HB ALA 9 -5.927 12.323 -5.446 878 3HB ALA 9 3HB ALA 9 -7.159 12.006 -4.227 879 H ILE 10 H ILE 10 -4.587 14.984 -3.438 880 HA ILE 10 HA ILE 10 -5.893 15.539 -0.844 881 HB ILE 10 HB ILE 10 -3.205 14.944 -1.924 882 1HG1 ILE 10 2HG1 ILE 10 -2.890 14.132 0.430 883 2HG1 ILE 10 1HG1 ILE 10 -4.500 14.747 0.806 884 1HG2 ILE 10 1HG2 ILE 10 -3.574 17.231 0.008 885 2HG2 ILE 10 2HG2 ILE 10 -2.526 17.140 -1.407 886 3HG2 ILE 10 3HG2 ILE 10 -2.120 16.235 0.052 887 1HD1 ILE 10 1HD1 ILE 10 -3.817 12.628 -1.250 888 2HD1 ILE 10 2HD1 ILE 10 -5.426 13.313 -1.021 889 3HD1 ILE 10 3HD1 ILE 10 -4.673 12.378 0.271 890 H ALA 11 H ALA 11 -4.657 17.037 -3.731 891 HA ALA 11 HA ALA 11 -4.595 19.724 -2.590 892 1HB ALA 11 1HB ALA 11 -3.661 18.383 -4.853 893 2HB ALA 11 2HB ALA 11 -3.605 20.130 -4.622 894 3HB ALA 11 3HB ALA 11 -4.948 19.398 -5.502 895 H GLN 12 H GLN 12 -7.048 17.560 -3.232 896 HA GLN 12 HA GLN 12 -9.026 19.743 -3.685 897 1HB GLN 12 2HB GLN 12 -8.844 18.405 -5.686 898 2HB GLN 12 1HB GLN 12 -8.841 16.910 -4.752 899 1HG GLN 12 2HG GLN 12 -11.034 17.225 -5.766 900 2HG GLN 12 1HG GLN 12 -11.167 17.398 -4.017 901 1HE2 GLN 12 1HE2 GLN 12 -12.618 19.071 -3.590 902 2HE2 GLN 12 2HE2 GLN 12 -12.654 20.559 -4.405 903 H ASP 13 H ASP 13 -8.433 16.522 -2.205 904 HA ASP 13 HA ASP 13 -10.914 16.563 -0.645 905 1HB ASP 13 2HB ASP 13 -8.283 15.052 -0.504 906 2HB ASP 13 1HB ASP 13 -9.603 14.752 0.623 907 H THR 14 H THR 14 -7.745 17.820 -0.463 908 HA THR 14 HA THR 14 -7.999 18.710 2.358 909 HB THR 14 HB THR 14 -5.501 19.181 0.908 910 HG1 THR 14 HG1 THR 14 -5.234 16.759 0.792 911 1HG2 THR 14 1HG2 THR 14 -5.507 16.989 2.798 912 2HG2 THR 14 2HG2 THR 14 -6.338 18.393 3.459 913 3HG2 THR 14 3HG2 THR 14 -4.674 18.536 2.887 914 H GLY 15 H GLY 15 -6.723 19.981 -0.734 915 1HA GLY 15 2HA GLY 15 -6.793 22.121 -1.686 916 2HA GLY 15 1HA GLY 15 -8.457 22.132 -1.118 917 H LEU 16 H LEU 16 -5.893 21.889 1.192 918 HA LEU 16 HA LEU 16 -6.729 24.284 2.596 919 1HB LEU 16 2HB LEU 16 -4.243 22.558 2.745 920 2HB LEU 16 1HB LEU 16 -4.671 23.788 3.934 921 HG LEU 16 HG LEU 16 -6.988 22.392 3.790 922 1HD1 LEU 16 1HD1 LEU 16 -6.729 20.251 3.142 923 2HD1 LEU 16 2HD1 LEU 16 -5.201 20.104 3.994 924 3HD1 LEU 16 3HD1 LEU 16 -5.234 20.789 2.381 925 1HD2 LEU 16 1HD2 LEU 16 -5.024 21.149 5.610 926 2HD2 LEU 16 2HD2 LEU 16 -6.511 22.008 6.001 927 3HD2 LEU 16 3HD2 LEU 16 -5.030 22.910 5.678 928 H THR 17 H THR 17 -3.514 23.561 1.340 929 HA THR 17 HA THR 17 -3.342 26.293 0.183 930 HB THR 17 HB THR 17 -2.326 25.598 2.613 931 HG1 THR 17 HG1 THR 17 -1.218 27.331 0.663 932 1HG2 THR 17 1HG2 THR 17 0.116 25.246 2.313 933 2HG2 THR 17 2HG2 THR 17 -0.137 25.057 0.585 934 3HG2 THR 17 3HG2 THR 17 -0.839 23.896 1.712 935 H GLN 18 H GLN 18 -3.236 23.069 -0.413 936 HA GLN 18 HA GLN 18 -2.170 21.739 -2.041 937 1HB GLN 18 2HB GLN 18 -1.293 24.400 -3.208 938 2HB GLN 18 1HB GLN 18 -1.607 22.899 -4.079 939 1HG GLN 18 2HG GLN 18 -4.010 23.072 -3.263 940 2HG GLN 18 1HG GLN 18 -3.619 24.707 -2.729 941 1HE2 GLN 18 1HE2 GLN 18 -3.856 26.327 -4.286 942 2HE2 GLN 18 2HE2 GLN 18 -3.954 26.058 -5.959 943 H VAL 19 H VAL 19 -0.937 22.797 0.398 944 HA VAL 19 HA VAL 19 1.370 23.588 1.009 945 HB VAL 19 HB VAL 19 0.541 21.789 2.291 946 1HG1 VAL 19 1HG1 VAL 19 0.898 19.362 1.086 947 2HG1 VAL 19 2HG1 VAL 19 0.419 20.373 -0.280 948 3HG1 VAL 19 3HG1 VAL 19 -0.627 20.249 1.136 949 1HG2 VAL 19 1HG2 VAL 19 2.857 21.710 2.662 950 2HG2 VAL 19 2HG2 VAL 19 3.173 20.986 1.091 951 3HG2 VAL 19 3HG2 VAL 19 2.410 20.035 2.355 952 H SER 20 H SER 20 2.352 20.611 -0.463 953 HA SER 20 HA SER 20 3.697 22.057 -2.657 954 1HB SER 20 2HB SER 20 5.782 21.100 -2.127 955 2HB SER 20 1HB SER 20 5.148 21.502 -0.546 956 HG SER 20 HG SER 20 4.224 19.272 -0.674 957 H VAL 21 H VAL 21 1.294 20.260 -2.160 958 HA VAL 21 HA VAL 21 0.798 17.861 -2.668 959 HB VAL 21 HB VAL 21 -0.355 18.363 -4.818 960 1HG1 VAL 21 1HG1 VAL 21 -1.896 19.271 -3.459 961 2HG1 VAL 21 2HG1 VAL 21 -1.064 20.820 -3.576 962 3HG1 VAL 21 3HG1 VAL 21 -0.638 19.687 -2.295 963 1HG2 VAL 21 1HG2 VAL 21 -0.133 20.740 -5.655 964 2HG2 VAL 21 2HG2 VAL 21 1.287 19.732 -5.931 965 3HG2 VAL 21 3HG2 VAL 21 1.279 20.901 -4.611 966 H SER 22 H SER 22 2.974 19.544 -4.771 967 HA SER 22 HA SER 22 3.682 17.197 -6.393 968 1HB SER 22 2HB SER 22 4.038 19.249 -7.464 969 2HB SER 22 1HB SER 22 4.650 20.011 -5.999 970 HG SER 22 HG SER 22 6.410 19.617 -7.256 971 H LYS 23 H LYS 23 5.157 18.954 -3.686 972 HA LYS 23 HA LYS 23 7.292 16.954 -3.416 973 1HB LYS 23 2HB LYS 23 6.742 19.687 -2.719 974 2HB LYS 23 1HB LYS 23 7.172 18.798 -1.258 975 1HG LYS 23 2HG LYS 23 9.199 17.950 -2.395 976 2HG LYS 23 1HG LYS 23 8.772 18.886 -3.828 977 1HD LYS 23 2HD LYS 23 10.465 19.971 -2.235 978 2HD LYS 23 1HD LYS 23 9.079 20.960 -2.695 979 1HE LYS 23 2HE LYS 23 8.066 20.756 -0.587 980 2HE LYS 23 1HE LYS 23 8.944 19.262 -0.203 981 1HZ LYS 23 1HZ LYS 23 11.022 20.568 -0.270 982 2HZ LYS 23 2HZ LYS 23 9.970 21.082 0.962 983 3HZ LYS 23 3HZ LYS 23 10.110 21.985 -0.472 984 H MET 24 H MET 24 4.188 17.824 -1.886 985 HA MET 24 HA MET 24 4.513 16.413 0.539 986 1HB MET 24 2HB MET 24 2.867 18.160 -0.104 987 2HB MET 24 1HB MET 24 2.100 17.015 -1.182 988 1HG MET 24 2HG MET 24 2.530 16.207 1.631 989 2HG MET 24 1HG MET 24 1.275 17.396 1.306 990 1HE MET 24 1HE MET 24 0.352 16.823 -1.421 991 2HE MET 24 2HE MET 24 -0.195 15.210 -1.858 992 3HE MET 24 3HE MET 24 1.523 15.586 -1.893 993 H LEU 25 H LEU 25 3.302 15.383 -2.703 994 HA LEU 25 HA LEU 25 2.921 12.614 -1.735 995 1HB LEU 25 2HB LEU 25 2.646 14.091 -4.347 996 2HB LEU 25 1HB LEU 25 2.560 12.334 -4.295 997 HG LEU 25 HG LEU 25 0.624 14.360 -3.321 998 1HD1 LEU 25 1HD1 LEU 25 0.503 12.601 -5.287 999 2HD1 LEU 25 2HD1 LEU 25 -0.925 12.931 -4.309 1000 3HD1 LEU 25 3HD1 LEU 25 0.044 11.495 -3.994 1001 1HD2 LEU 25 1HD2 LEU 25 1.264 13.308 -1.186 1002 2HD2 LEU 25 2HD2 LEU 25 1.049 11.710 -1.893 1003 3HD2 LEU 25 3HD2 LEU 25 -0.344 12.768 -1.666 1004 H ALA 26 H ALA 26 5.084 14.404 -3.937 1005 HA ALA 26 HA ALA 26 6.767 12.280 -4.737 1006 1HB ALA 26 1HB ALA 26 7.354 15.187 -4.085 1007 2HB ALA 26 2HB ALA 26 6.917 14.532 -5.663 1008 3HB ALA 26 3HB ALA 26 8.475 14.130 -4.940 1009 H SER 27 H SER 27 6.616 14.161 -1.756 1010 HA SER 27 HA SER 27 8.991 12.926 -0.579 1011 1HB SER 27 2HB SER 27 6.715 14.621 0.485 1012 2HB SER 27 1HB SER 27 8.069 14.093 1.476 1013 HG SER 27 HG SER 27 9.457 15.183 0.057 1014 H PHE 28 H PHE 28 5.454 12.559 -0.367 1015 HA PHE 28 HA PHE 28 5.427 10.553 1.689 1016 1HB PHE 28 2HB PHE 28 3.306 11.307 1.368 1017 2HB PHE 28 1HB PHE 28 3.629 11.744 -0.303 1018 HD1 PHE 28 HD1 PHE 28 3.007 10.290 -2.110 1019 HD2 PHE 28 HD2 PHE 28 2.765 8.868 1.939 1020 HE1 PHE 28 HE1 PHE 28 1.687 8.357 -2.871 1021 HE2 PHE 28 HE2 PHE 28 1.446 6.934 1.167 1022 HZ PHE 28 HZ PHE 28 0.895 6.680 -1.226 1023 H GLU 29 H GLU 29 5.764 10.373 -1.816 1024 HA GLU 29 HA GLU 29 5.759 7.452 -1.811 1025 1HB GLU 29 2HB GLU 29 5.961 9.740 -3.731 1026 2HB GLU 29 1HB GLU 29 6.523 8.149 -4.266 1027 1HG GLU 29 2HG GLU 29 4.439 7.279 -4.260 1028 2HG GLU 29 1HG GLU 29 4.024 8.075 -2.752 1029 H LYS 30 H LYS 30 7.943 10.138 -1.803 1030 HA LYS 30 HA LYS 30 10.363 8.579 -2.219 1031 1HB LYS 30 2HB LYS 30 10.341 10.958 -2.696 1032 2HB LYS 30 1HB LYS 30 9.764 11.325 -1.072 1033 1HG LYS 30 2HG LYS 30 11.864 10.463 -0.118 1034 2HG LYS 30 1HG LYS 30 12.444 10.074 -1.737 1035 1HD LYS 30 2HD LYS 30 13.065 12.210 -2.128 1036 2HD LYS 30 1HD LYS 30 11.521 12.837 -1.552 1037 1HE LYS 30 2HE LYS 30 13.247 13.690 -0.073 1038 2HE LYS 30 1HE LYS 30 12.374 12.430 0.821 1039 1HZ LYS 30 1HZ LYS 30 14.875 12.040 -0.739 1040 2HZ LYS 30 2HZ LYS 30 14.018 10.815 0.070 1041 3HZ LYS 30 3HZ LYS 30 14.759 12.063 0.954 1042 H ILE 31 H ILE 31 8.287 9.453 0.522 1043 HA ILE 31 HA ILE 31 10.266 8.355 2.440 1044 HB ILE 31 HB ILE 31 8.643 9.148 4.093 1045 1HG1 ILE 31 2HG1 ILE 31 6.963 10.808 2.650 1046 2HG1 ILE 31 1HG1 ILE 31 6.920 9.262 1.808 1047 1HG2 ILE 31 1HG2 ILE 31 10.238 10.768 3.658 1048 2HG2 ILE 31 2HG2 ILE 31 8.758 11.639 3.258 1049 3HG2 ILE 31 3HG2 ILE 31 9.741 10.933 1.975 1050 1HD1 ILE 31 1HD1 ILE 31 6.791 9.191 4.780 1051 2HD1 ILE 31 2HD1 ILE 31 6.004 8.144 3.599 1052 3HD1 ILE 31 3HD1 ILE 31 5.356 9.752 3.924 1053 H ILE 32 H ILE 32 7.195 7.595 0.962 1054 HA ILE 32 HA ILE 32 6.463 5.382 2.638 1055 HB ILE 32 HB ILE 32 5.996 6.116 -0.274 1056 1HG1 ILE 32 2HG1 ILE 32 4.838 7.236 1.796 1057 2HG1 ILE 32 1HG1 ILE 32 3.840 6.734 0.436 1058 1HG2 ILE 32 1HG2 ILE 32 4.187 4.198 -0.015 1059 2HG2 ILE 32 2HG2 ILE 32 5.336 3.564 1.162 1060 3HG2 ILE 32 3HG2 ILE 32 5.836 3.815 -0.511 1061 1HD1 ILE 32 1HD1 ILE 32 3.282 6.065 2.988 1062 2HD1 ILE 32 2HD1 ILE 32 4.310 4.701 2.546 1063 3HD1 ILE 32 3HD1 ILE 32 2.850 5.041 1.618 1064 H THR 33 H THR 33 7.886 5.450 -0.576 1065 HA THR 33 HA THR 33 8.815 2.808 -0.627 1066 HB THR 33 HB THR 33 8.771 5.070 -2.265 1067 HG1 THR 33 HG1 THR 33 8.469 3.300 -3.337 1068 1HG2 THR 33 1HG2 THR 33 11.008 5.715 -1.483 1069 2HG2 THR 33 2HG2 THR 33 11.070 5.189 -3.165 1070 3HG2 THR 33 3HG2 THR 33 11.620 4.110 -1.885 1071 H GLU 34 H GLU 34 10.323 5.809 0.467 1072 HA GLU 34 HA GLU 34 12.902 4.652 1.063 1073 1HB GLU 34 2HB GLU 34 11.417 7.191 1.642 1074 2HB GLU 34 1HB GLU 34 12.977 6.902 2.401 1075 1HG GLU 34 2HG GLU 34 12.518 6.669 -0.593 1076 2HG GLU 34 1HG GLU 34 13.110 8.140 0.182 1077 H THR 35 H THR 35 10.145 5.587 3.256 1078 HA THR 35 HA THR 35 11.417 4.925 5.681 1079 HB THR 35 HB THR 35 8.523 4.486 4.885 1080 HG1 THR 35 HG1 THR 35 8.387 6.564 5.068 1081 1HG2 THR 35 1HG2 THR 35 9.664 3.449 7.082 1082 2HG2 THR 35 2HG2 THR 35 8.036 4.121 7.118 1083 3HG2 THR 35 3HG2 THR 35 9.401 5.086 7.679 1084 H VAL 36 H VAL 36 9.283 2.690 3.837 1085 HA VAL 36 HA VAL 36 9.873 0.373 5.364 1086 HB VAL 36 HB VAL 36 8.987 1.089 2.632 1087 1HG1 VAL 36 1HG1 VAL 36 9.219 -1.505 2.075 1088 2HG1 VAL 36 2HG1 VAL 36 10.638 -1.351 3.101 1089 3HG1 VAL 36 3HG1 VAL 36 10.491 -0.358 1.656 1090 1HG2 VAL 36 1HG2 VAL 36 7.109 0.178 3.458 1091 2HG2 VAL 36 2HG2 VAL 36 7.967 -0.103 4.973 1092 3HG2 VAL 36 3HG2 VAL 36 7.923 -1.360 3.736 1093 H ALA 37 H ALA 37 11.513 1.816 2.619 1094 HA ALA 37 HA ALA 37 13.767 -0.039 2.721 1095 1HB ALA 37 1HB ALA 37 14.350 2.095 1.080 1096 2HB ALA 37 2HB ALA 37 12.600 2.046 1.056 1097 3HB ALA 37 3HB ALA 37 13.517 0.627 0.588 1098 H LYS 38 H LYS 38 12.932 2.539 4.667 1099 HA LYS 38 HA LYS 38 15.771 3.474 4.942 1100 1HB LYS 38 2HB LYS 38 13.828 5.104 4.510 1101 2HB LYS 38 1HB LYS 38 13.273 4.703 6.134 1102 1HG LYS 38 2HG LYS 38 14.905 5.933 7.118 1103 2HG LYS 38 1HG LYS 38 16.136 5.362 5.991 1104 1HD LYS 38 2HD LYS 38 14.037 7.451 5.333 1105 2HD LYS 38 1HD LYS 38 15.705 7.812 5.778 1106 1HE LYS 38 2HE LYS 38 15.356 5.837 3.577 1107 2HE LYS 38 1HE LYS 38 14.939 7.520 3.201 1108 1HZ LYS 38 1HZ LYS 38 17.346 6.967 2.919 1109 2HZ LYS 38 2HZ LYS 38 17.433 6.724 4.598 1110 3HZ LYS 38 3HZ LYS 38 17.042 8.257 3.978 1111 H GLY 39 H GLY 39 12.967 2.199 6.665 1112 1HA GLY 39 2HA GLY 39 14.016 0.452 8.332 1113 2HA GLY 39 1HA GLY 39 14.633 1.922 9.079 1114 H ASP 40 H ASP 40 11.407 1.373 7.616 1115 HA ASP 40 HA ASP 40 10.158 1.223 10.269 1116 1HB ASP 40 2HB ASP 40 10.578 3.745 8.828 1117 2HB ASP 40 1HB ASP 40 8.894 3.483 9.287 1118 H LYS 41 H LYS 41 8.373 0.002 10.012 1119 HA LYS 41 HA LYS 41 7.387 -0.837 7.443 1120 1HB LYS 41 2HB LYS 41 6.208 -0.997 10.239 1121 2HB LYS 41 1HB LYS 41 5.667 -1.950 8.857 1122 1HG LYS 41 2HG LYS 41 7.217 -3.487 9.412 1123 2HG LYS 41 1HG LYS 41 8.450 -2.320 8.938 1124 1HD LYS 41 2HD LYS 41 9.082 -2.009 11.079 1125 2HD LYS 41 1HD LYS 41 7.420 -1.710 11.586 1126 1HE LYS 41 2HE LYS 41 7.135 -4.301 11.395 1127 2HE LYS 41 1HE LYS 41 8.908 -4.330 11.474 1128 1HZ LYS 41 1HZ LYS 41 8.840 -3.007 13.469 1129 2HZ LYS 41 2HZ LYS 41 7.874 -4.387 13.694 1130 3HZ LYS 41 3HZ LYS 41 7.151 -2.881 13.384 1131 H VAL 42 H VAL 42 6.876 1.208 6.407 1132 HA VAL 42 HA VAL 42 5.078 3.171 7.456 1133 HB VAL 42 HB VAL 42 6.585 3.475 5.519 1134 1HG1 VAL 42 1HG1 VAL 42 4.744 2.032 3.690 1135 2HG1 VAL 42 2HG1 VAL 42 5.766 1.023 4.714 1136 3HG1 VAL 42 3HG1 VAL 42 6.498 2.199 3.621 1137 1HG2 VAL 42 1HG2 VAL 42 5.157 4.886 4.327 1138 2HG2 VAL 42 2HG2 VAL 42 4.263 4.677 5.835 1139 3HG2 VAL 42 3HG2 VAL 42 3.808 3.750 4.403 1140 H GLN 43 H GLN 43 2.891 3.002 7.829 1141 HA GLN 43 HA GLN 43 1.363 0.960 6.248 1142 1HB GLN 43 2HB GLN 43 0.946 1.645 9.171 1143 2HB GLN 43 1HB GLN 43 0.265 0.285 8.280 1144 1HG GLN 43 2HG GLN 43 2.933 -0.123 7.873 1145 2HG GLN 43 1HG GLN 43 2.946 0.600 9.483 1146 1HE2 GLN 43 1HE2 GLN 43 3.404 -2.292 8.628 1147 2HE2 GLN 43 2HE2 GLN 43 2.291 -3.190 9.543 1148 H LEU 44 H LEU 44 -1.066 1.413 6.498 1149 HA LEU 44 HA LEU 44 -1.644 4.338 6.732 1150 1HB LEU 44 2HB LEU 44 -2.484 2.421 4.535 1151 2HB LEU 44 1HB LEU 44 -2.963 4.112 4.655 1152 HG LEU 44 HG LEU 44 -0.058 3.321 4.591 1153 1HD1 LEU 44 1HD1 LEU 44 -0.619 4.248 2.055 1154 2HD1 LEU 44 2HD1 LEU 44 -2.031 3.254 2.396 1155 3HD1 LEU 44 3HD1 LEU 44 -0.417 2.552 2.478 1156 1HD2 LEU 44 1HD2 LEU 44 -0.278 5.709 3.363 1157 2HD2 LEU 44 2HD2 LEU 44 -0.120 5.557 5.112 1158 3HD2 LEU 44 3HD2 LEU 44 -1.710 5.787 4.388 1159 H THR 45 H THR 45 -3.273 4.521 8.243 1160 HA THR 45 HA THR 45 -4.979 3.774 9.736 1161 HB THR 45 HB THR 45 -6.434 4.789 8.269 1162 HG1 THR 45 HG1 THR 45 -8.075 3.445 7.921 1163 1HG2 THR 45 1HG2 THR 45 -6.632 4.286 5.880 1164 2HG2 THR 45 2HG2 THR 45 -5.582 2.882 6.065 1165 3HG2 THR 45 3HG2 THR 45 -4.938 4.502 6.303 1166 H GLY 46 H GLY 46 -6.093 1.519 7.308 1167 1HA GLY 46 2HA GLY 46 -4.836 -0.813 8.537 1168 2HA GLY 46 1HA GLY 46 -6.567 -0.676 8.870 1169 H PHE 47 H PHE 47 -5.128 0.505 5.903 1170 HA PHE 47 HA PHE 47 -6.435 -1.744 4.445 1171 1HB PHE 47 2HB PHE 47 -7.563 -0.243 3.111 1172 2HB PHE 47 1HB PHE 47 -7.466 0.680 4.600 1173 HD1 PHE 47 HD1 PHE 47 -7.449 1.241 1.346 1174 HD2 PHE 47 HD2 PHE 47 -4.735 1.735 4.615 1175 HE1 PHE 47 HE1 PHE 47 -6.344 3.065 0.143 1176 HE2 PHE 47 HE2 PHE 47 -3.622 3.554 3.380 1177 HZ PHE 47 HZ PHE 47 -4.407 4.214 1.175 1178 H LEU 48 H LEU 48 -3.643 0.384 4.646 1179 HA LEU 48 HA LEU 48 -2.363 -1.325 2.570 1180 1HB LEU 48 2HB LEU 48 -2.590 1.610 2.811 1181 2HB LEU 48 1HB LEU 48 -1.064 0.969 2.213 1182 HG LEU 48 HG LEU 48 -3.821 0.490 1.056 1183 1HD1 LEU 48 1HD1 LEU 48 -1.341 1.638 -0.235 1184 2HD1 LEU 48 2HD1 LEU 48 -2.557 2.640 0.559 1185 3HD1 LEU 48 3HD1 LEU 48 -2.994 1.671 -0.850 1186 1HD2 LEU 48 1HD2 LEU 48 -2.008 -0.619 -0.699 1187 2HD2 LEU 48 2HD2 LEU 48 -2.967 -1.537 0.459 1188 3HD2 LEU 48 3HD2 LEU 48 -1.318 -1.063 0.862 1189 H ASN 49 H ASN 49 -1.402 -2.594 4.225 1190 HA ASN 49 HA ASN 49 0.422 -1.227 6.144 1191 1HB ASN 49 2HB ASN 49 -1.113 -3.729 5.935 1192 2HB ASN 49 1HB ASN 49 0.510 -3.958 6.587 1193 1HD2 ASN 49 1HD2 ASN 49 -1.647 -1.107 6.973 1194 2HD2 ASN 49 2HD2 ASN 49 -1.727 -1.208 8.665 1195 H ILE 50 H ILE 50 2.112 -0.658 4.595 1196 HA ILE 50 HA ILE 50 3.398 -2.732 2.966 1197 HB ILE 50 HB ILE 50 4.177 0.106 3.688 1198 1HG1 ILE 50 2HG1 ILE 50 2.060 -0.930 2.059 1199 2HG1 ILE 50 1HG1 ILE 50 2.505 0.749 2.332 1200 1HG2 ILE 50 1HG2 ILE 50 5.649 -0.002 1.751 1201 2HG2 ILE 50 2HG2 ILE 50 5.091 -1.634 1.376 1202 3HG2 ILE 50 3HG2 ILE 50 6.034 -1.339 2.834 1203 1HD1 ILE 50 1HD1 ILE 50 2.571 0.196 -0.068 1204 2HD1 ILE 50 2HD1 ILE 50 3.746 -1.076 0.251 1205 3HD1 ILE 50 3HD1 ILE 50 4.176 0.611 0.528 1206 H LYS 51 H LYS 51 5.457 -3.663 3.353 1207 HA LYS 51 HA LYS 51 7.074 -2.830 5.672 1208 1HB LYS 51 2HB LYS 51 6.766 -5.090 6.805 1209 2HB LYS 51 1HB LYS 51 5.349 -4.042 6.846 1210 1HG LYS 51 2HG LYS 51 4.301 -5.251 5.048 1211 2HG LYS 51 1HG LYS 51 5.775 -6.163 4.725 1212 1HD LYS 51 2HD LYS 51 4.775 -6.350 7.502 1213 2HD LYS 51 1HD LYS 51 3.736 -7.086 6.281 1214 1HE LYS 51 2HE LYS 51 6.162 -8.002 5.450 1215 2HE LYS 51 1HE LYS 51 6.430 -7.918 7.203 1216 1HZ LYS 51 1HZ LYS 51 4.028 -9.127 5.942 1217 2HZ LYS 51 2HZ LYS 51 4.438 -9.152 7.591 1218 3HZ LYS 51 3HZ LYS 51 5.369 -10.023 6.466 1219 HA PRO 52 HA PRO 52 9.821 -4.921 2.843 1220 1HB PRO 52 2HB PRO 52 12.166 -4.145 3.973 1221 2HB PRO 52 1HB PRO 52 11.170 -3.067 2.979 1222 1HG PRO 52 2HG PRO 52 11.578 -3.099 5.884 1223 2HG PRO 52 1HG PRO 52 11.094 -1.777 4.826 1224 1HD PRO 52 2HD PRO 52 9.408 -3.317 6.507 1225 2HD PRO 52 1HD PRO 52 8.913 -2.095 5.318 1226 H VAL 53 H VAL 53 10.995 -6.784 2.788 1227 HA VAL 53 HA VAL 53 11.860 -8.044 5.303 1228 HB VAL 53 HB VAL 53 10.594 -10.085 4.779 1229 1HG1 VAL 53 1HG1 VAL 53 9.582 -8.118 6.084 1230 2HG1 VAL 53 2HG1 VAL 53 8.430 -9.259 5.394 1231 3HG1 VAL 53 3HG1 VAL 53 8.720 -7.712 4.600 1232 1HG2 VAL 53 1HG2 VAL 53 8.744 -9.605 2.929 1233 2HG2 VAL 53 2HG2 VAL 53 10.342 -10.197 2.466 1234 3HG2 VAL 53 3HG2 VAL 53 9.961 -8.483 2.332 1235 H ALA 54 H ALA 54 13.894 -8.602 4.942 1236 HA ALA 54 HA ALA 54 15.274 -8.632 2.517 1237 1HB ALA 54 1HB ALA 54 16.734 -10.349 3.978 1238 2HB ALA 54 2HB ALA 54 15.640 -9.783 5.238 1239 3HB ALA 54 3HB ALA 54 16.640 -8.631 4.360 1240 H ARG 55 H ARG 55 15.390 -9.998 0.827 1241 HA ARG 55 HA ARG 55 14.873 -12.889 1.112 1242 1HB ARG 55 2HB ARG 55 12.682 -11.499 0.804 1243 2HB ARG 55 1HB ARG 55 13.237 -11.287 -0.857 1244 1HG ARG 55 2HG ARG 55 12.526 -13.351 -1.394 1245 2HG ARG 55 1HG ARG 55 13.527 -14.054 -0.124 1246 1HD ARG 55 2HD ARG 55 11.747 -14.318 1.277 1247 2HD ARG 55 1HD ARG 55 11.092 -12.716 0.881 1248 HE ARG 55 HE ARG 55 10.029 -13.675 -1.081 1249 1HH1 ARG 55 1HH2 ARG 55 12.401 -15.873 -0.759 1250 2HH1 ARG 55 2HH2 ARG 55 11.402 -17.286 -0.730 1251 1HH2 ARG 55 2HH1 ARG 55 8.447 -15.514 -0.334 1252 2HH2 ARG 55 1HH1 ARG 55 9.163 -17.084 -0.490 1253 H GLN 56 H GLN 56 16.998 -13.189 0.277 1254 HA GLN 56 HA GLN 56 18.170 -11.795 -1.904 1255 1HB GLN 56 2HB GLN 56 18.577 -14.637 -0.949 1256 2HB GLN 56 1HB GLN 56 19.712 -13.715 -1.934 1257 1HG GLN 56 2HG GLN 56 19.719 -11.974 -0.081 1258 2HG GLN 56 1HG GLN 56 18.857 -13.149 0.912 1259 1HE2 GLN 56 1HE2 GLN 56 20.292 -14.239 2.253 1260 2HE2 GLN 56 2HE2 GLN 56 21.864 -14.713 1.823 1261 H ALA 57 H ALA 57 18.983 -13.430 -3.813 1262 HA ALA 57 HA ALA 57 16.624 -13.816 -5.495 1263 1HB ALA 57 1HB ALA 57 18.212 -13.382 -7.034 1264 2HB ALA 57 2HB ALA 57 19.075 -14.854 -6.588 1265 3HB ALA 57 3HB ALA 57 19.415 -13.343 -5.745 1266 H ARG 58 H ARG 58 17.562 -16.033 -6.998 1267 HA ARG 58 HA ARG 58 17.912 -18.354 -5.277 1268 1HB ARG 58 2HB ARG 58 15.731 -18.773 -4.877 1269 2HB ARG 58 1HB ARG 58 15.353 -17.213 -5.589 1270 1HG ARG 58 2HG ARG 58 15.413 -18.432 -7.861 1271 2HG ARG 58 1HG ARG 58 15.359 -19.923 -6.918 1272 1HD ARG 58 2HD ARG 58 13.359 -17.758 -6.318 1273 2HD ARG 58 1HD ARG 58 13.097 -18.821 -7.714 1274 HE ARG 58 HE ARG 58 12.699 -20.598 -6.209 1275 1HH1 ARG 58 1HH2 ARG 58 12.162 -18.286 -4.205 1276 2HH1 ARG 58 2HH2 ARG 58 13.067 -18.851 -2.840 1277 1HH2 ARG 58 2HH1 ARG 58 14.831 -21.222 -4.656 1278 2HH2 ARG 58 1HH1 ARG 58 14.577 -20.513 -3.095 1279 H LYS 59 H LYS 59 18.373 -20.221 -6.555 1280 HA LYS 59 HA LYS 59 17.927 -20.226 -9.445 1281 1HB LYS 59 2HB LYS 59 20.347 -20.095 -9.997 1282 2HB LYS 59 1HB LYS 59 19.783 -18.624 -9.206 1283 1HG LYS 59 2HG LYS 59 20.539 -19.821 -7.004 1284 2HG LYS 59 1HG LYS 59 21.500 -20.828 -8.090 1285 1HD LYS 59 2HD LYS 59 21.629 -17.883 -8.518 1286 2HD LYS 59 1HD LYS 59 22.432 -18.516 -7.082 1287 1HE LYS 59 2HE LYS 59 22.940 -20.086 -9.536 1288 2HE LYS 59 1HE LYS 59 23.602 -18.439 -9.558 1289 1HZ LYS 59 1HZ LYS 59 24.602 -18.810 -7.417 1290 2HZ LYS 59 2HZ LYS 59 25.109 -20.039 -8.476 1291 3HZ LYS 59 3HZ LYS 59 23.915 -20.356 -7.309 1292 H GLY 60 H GLY 60 18.923 -22.217 -10.434 1293 1HA GLY 60 2HA GLY 60 20.260 -24.266 -9.119 1294 2HA GLY 60 1HA GLY 60 18.568 -24.496 -8.676 1295 H PHE 61 H PHE 61 17.190 -25.401 -10.160 1296 HA PHE 61 HA PHE 61 17.352 -25.352 -12.966 1297 1HB PHE 61 2HB PHE 61 18.405 -27.629 -13.366 1298 2HB PHE 61 1HB PHE 61 19.523 -26.399 -12.801 1299 HD1 PHE 61 HD1 PHE 61 20.574 -28.908 -12.455 1300 HD2 PHE 61 HD2 PHE 61 17.589 -27.091 -9.964 1301 HE1 PHE 61 HE1 PHE 61 21.231 -30.364 -10.581 1302 HE2 PHE 61 HE2 PHE 61 18.252 -28.526 -8.105 1303 HZ PHE 61 HZ PHE 61 20.081 -30.184 -8.393 1304 H ASN 62 H ASN 62 15.746 -26.771 -13.954 1305 HA ASN 62 HA ASN 62 13.930 -28.003 -11.944 1306 1HB ASN 62 2HB ASN 62 12.416 -26.779 -13.034 1307 2HB ASN 62 1HB ASN 62 13.620 -26.301 -14.222 1308 1HD2 ASN 62 1HD2 ASN 62 11.536 -29.152 -13.457 1309 2HD2 ASN 62 2HD2 ASN 62 11.212 -29.532 -15.080 1310 HA PRO 63 HA PRO 63 14.036 -31.286 -15.470 1311 1HB PRO 63 2HB PRO 63 16.253 -31.318 -17.085 1312 2HB PRO 63 1HB PRO 63 14.756 -30.450 -17.486 1313 1HG PRO 63 2HG PRO 63 17.302 -29.407 -16.352 1314 2HG PRO 63 1HG PRO 63 16.227 -28.690 -17.563 1315 1HD PRO 63 2HD PRO 63 16.270 -27.907 -14.971 1316 2HD PRO 63 1HD PRO 63 14.811 -27.812 -15.978 1317 H GLN 64 H GLN 64 16.630 -30.280 -13.491 1318 HA GLN 64 HA GLN 64 17.940 -32.936 -13.421 1319 1HB GLN 64 2HB GLN 64 18.878 -30.440 -13.232 1320 2HB GLN 64 1HB GLN 64 18.505 -30.698 -11.528 1321 1HG GLN 64 2HG GLN 64 20.243 -32.124 -11.253 1322 2HG GLN 64 1HG GLN 64 19.874 -32.987 -12.746 1323 1HE2 GLN 64 1HE2 GLN 64 22.508 -31.809 -11.621 1324 2HE2 GLN 64 2HE2 GLN 64 23.114 -30.883 -12.907 1325 H THR 65 H THR 65 15.287 -33.195 -12.692 1326 HA THR 65 HA THR 65 13.873 -33.909 -10.946 1327 HB THR 65 HB THR 65 14.934 -35.381 -9.444 1328 HG1 THR 65 HG1 THR 65 17.388 -34.020 -9.695 1329 1HG2 THR 65 1HG2 THR 65 15.482 -35.842 -11.872 1330 2HG2 THR 65 2HG2 THR 65 16.608 -36.546 -10.711 1331 3HG2 THR 65 3HG2 THR 65 17.047 -35.080 -11.589 1332 H GLN 66 H GLN 66 14.852 -31.057 -11.008 1333 HA GLN 66 HA GLN 66 14.198 -30.399 -8.190 1334 1HB GLN 66 2HB GLN 66 16.717 -30.142 -9.545 1335 2HB GLN 66 1HB GLN 66 16.128 -28.547 -9.095 1336 1HG GLN 66 2HG GLN 66 16.689 -28.926 -6.949 1337 2HG GLN 66 1HG GLN 66 15.617 -30.323 -6.906 1338 1HE2 GLN 66 1HE2 GLN 66 17.048 -31.925 -8.885 1339 2HE2 GLN 66 2HE2 GLN 66 18.527 -32.381 -8.190 1340 H GLU 67 H GLU 67 14.778 -27.530 -8.909 1341 HA GLU 67 HA GLU 67 12.655 -26.949 -10.908 1342 1HB GLU 67 2HB GLU 67 12.554 -26.673 -8.014 1343 2HB GLU 67 1HB GLU 67 12.379 -25.098 -8.789 1344 1HG GLU 67 2HG GLU 67 10.617 -26.103 -10.278 1345 2HG GLU 67 1HG GLU 67 10.716 -27.577 -9.313 1346 H ALA 68 H ALA 68 13.708 -25.637 -12.357 1347 HA ALA 68 HA ALA 68 16.160 -24.252 -11.721 1348 1HB ALA 68 1HB ALA 68 14.842 -25.166 -13.979 1349 2HB ALA 68 2HB ALA 68 16.324 -24.220 -13.971 1350 3HB ALA 68 3HB ALA 68 14.764 -23.417 -14.142 1351 H LEU 69 H LEU 69 16.441 -22.238 -11.070 1352 HA LEU 69 HA LEU 69 14.118 -20.339 -11.155 1353 1HB LEU 69 2HB LEU 69 15.846 -20.484 -8.715 1354 2HB LEU 69 1HB LEU 69 14.129 -20.111 -8.845 1355 HG LEU 69 HG LEU 69 15.245 -22.880 -9.364 1356 1HD1 LEU 69 1HD1 LEU 69 14.220 -23.358 -7.059 1357 2HD1 LEU 69 2HD1 LEU 69 14.313 -21.617 -6.799 1358 3HD1 LEU 69 3HD1 LEU 69 15.783 -22.543 -7.100 1359 1HD2 LEU 69 1HD2 LEU 69 13.116 -23.384 -9.912 1360 2HD2 LEU 69 2HD2 LEU 69 12.705 -21.677 -9.762 1361 3HD2 LEU 69 3HD2 LEU 69 12.539 -22.750 -8.373 1362 H GLU 70 H GLU 70 15.018 -18.065 -10.291 1363 HA GLU 70 HA GLU 70 17.767 -17.363 -10.514 1364 1HB GLU 70 2HB GLU 70 16.415 -18.024 -13.000 1365 2HB GLU 70 1HB GLU 70 16.989 -16.357 -13.030 1366 1HG GLU 70 2HG GLU 70 18.880 -18.369 -11.934 1367 2HG GLU 70 1HG GLU 70 18.562 -18.463 -13.667 1368 H ILE 71 H ILE 71 15.341 -16.469 -9.100 1369 HA ILE 71 HA ILE 71 14.364 -13.978 -10.150 1370 HB ILE 71 HB ILE 71 13.570 -13.694 -7.830 1371 1HG1 ILE 71 2HG1 ILE 71 14.687 -16.268 -6.933 1372 2HG1 ILE 71 1HG1 ILE 71 15.877 -14.980 -7.109 1373 1HG2 ILE 71 1HG2 ILE 71 12.319 -15.178 -9.313 1374 2HG2 ILE 71 2HG2 ILE 71 12.308 -15.829 -7.675 1375 3HG2 ILE 71 3HG2 ILE 71 13.379 -16.523 -8.891 1376 1HD1 ILE 71 1HD1 ILE 71 13.287 -14.733 -5.552 1377 2HD1 ILE 71 2HD1 ILE 71 14.552 -13.510 -5.675 1378 3HD1 ILE 71 3HD1 ILE 71 14.870 -15.026 -4.830 1379 H ALA 72 H ALA 72 14.865 -12.300 -7.827 1380 HA ALA 72 HA ALA 72 17.765 -11.695 -8.228 1381 1HB ALA 72 1HB ALA 72 15.274 -10.139 -8.657 1382 2HB ALA 72 2HB ALA 72 16.801 -10.082 -9.538 1383 3HB ALA 72 3HB ALA 72 16.646 -9.258 -7.986 1384 HA PRO 73 HA PRO 73 17.837 -11.341 -3.798 1385 1HB PRO 73 2HB PRO 73 20.250 -10.076 -3.589 1386 2HB PRO 73 1HB PRO 73 20.102 -11.803 -3.974 1387 1HG PRO 73 2HG PRO 73 20.645 -9.501 -5.775 1388 2HG PRO 73 1HG PRO 73 21.292 -11.148 -5.819 1389 1HD PRO 73 2HD PRO 73 19.289 -10.246 -7.461 1390 2HD PRO 73 1HD PRO 73 19.522 -11.946 -7.021 1391 H SER 74 H SER 74 16.677 -9.781 -2.692 1392 HA SER 74 HA SER 74 17.444 -7.019 -2.547 1393 1HB SER 74 2HB SER 74 15.318 -6.238 -3.822 1394 2HB SER 74 1HB SER 74 16.693 -6.778 -4.779 1395 HG SER 74 HG SER 74 15.081 -7.946 -5.598 1396 H VAL 75 H VAL 75 16.101 -5.870 -1.038 1397 HA VAL 75 HA VAL 75 14.889 -7.288 1.058 1398 HB VAL 75 HB VAL 75 15.599 -4.907 1.043 1399 1HG1 VAL 75 1HG1 VAL 75 13.352 -3.573 0.047 1400 2HG1 VAL 75 2HG1 VAL 75 13.674 -4.832 -1.144 1401 3HG1 VAL 75 3HG1 VAL 75 14.934 -3.674 -0.725 1402 1HG2 VAL 75 1HG2 VAL 75 13.784 -4.040 2.407 1403 2HG2 VAL 75 2HG2 VAL 75 13.950 -5.764 2.737 1404 3HG2 VAL 75 3HG2 VAL 75 12.648 -5.185 1.696 1405 H GLY 76 H GLY 76 12.440 -7.155 1.658 1406 1HA GLY 76 2HA GLY 76 10.843 -7.627 -0.838 1407 2HA GLY 76 1HA GLY 76 10.602 -8.554 0.640 1408 H VAL 77 H VAL 77 10.543 -5.183 -0.542 1409 HA VAL 77 HA VAL 77 9.087 -4.056 1.632 1410 HB VAL 77 HB VAL 77 10.201 -2.694 -0.034 1411 1HG1 VAL 77 1HG1 VAL 77 8.902 -4.546 -1.846 1412 2HG1 VAL 77 2HG1 VAL 77 10.241 -3.444 -2.158 1413 3HG1 VAL 77 3HG1 VAL 77 8.582 -2.884 -2.329 1414 1HG2 VAL 77 1HG2 VAL 77 8.632 -1.099 0.238 1415 2HG2 VAL 77 2HG2 VAL 77 7.467 -2.343 0.685 1416 3HG2 VAL 77 3HG2 VAL 77 7.625 -1.849 -1.001 1417 H SER 78 H SER 78 7.593 -5.922 2.019 1418 HA SER 78 HA SER 78 5.506 -6.557 0.127 1419 1HB SER 78 2HB SER 78 6.532 -7.615 2.421 1420 2HB SER 78 1HB SER 78 5.029 -6.923 3.025 1421 HG SER 78 HG SER 78 5.326 -9.177 1.751 1422 H VAL 79 H VAL 79 3.176 -6.340 0.972 1423 HA VAL 79 HA VAL 79 2.205 -4.177 2.526 1424 HB VAL 79 HB VAL 79 3.261 -2.685 0.974 1425 1HG1 VAL 79 1HG1 VAL 79 2.408 -3.206 -1.588 1426 2HG1 VAL 79 2HG1 VAL 79 2.625 -4.831 -0.936 1427 3HG1 VAL 79 3HG1 VAL 79 3.971 -3.691 -0.929 1428 1HG2 VAL 79 1HG2 VAL 79 1.441 -1.527 -0.092 1429 2HG2 VAL 79 2HG2 VAL 79 0.805 -2.228 1.393 1430 3HG2 VAL 79 3HG2 VAL 79 0.470 -2.996 -0.159 1431 H LYS 80 H LYS 80 -0.246 -3.730 1.704 1432 HA LYS 80 HA LYS 80 -1.444 -5.619 -0.088 1433 1HB LYS 80 2HB LYS 80 -2.499 -7.046 1.686 1434 2HB LYS 80 1HB LYS 80 -0.744 -7.191 1.663 1435 1HG LYS 80 2HG LYS 80 -0.560 -5.603 3.518 1436 2HG LYS 80 1HG LYS 80 -2.310 -5.373 3.517 1437 1HD LYS 80 2HD LYS 80 -1.301 -8.171 3.742 1438 2HD LYS 80 1HD LYS 80 -1.118 -7.130 5.154 1439 1HE LYS 80 2HE LYS 80 -3.572 -6.563 4.970 1440 2HE LYS 80 1HE LYS 80 -3.702 -7.802 3.705 1441 1HZ LYS 80 1HZ LYS 80 -2.657 -9.380 5.271 1442 2HZ LYS 80 2HZ LYS 80 -4.165 -8.816 5.816 1443 3HZ LYS 80 3HZ LYS 80 -2.731 -8.197 6.486 1444 HA PRO 81 HA PRO 81 -4.914 -3.040 0.956 1445 1HB PRO 81 2HB PRO 81 -6.913 -4.579 -0.085 1446 2HB PRO 81 1HB PRO 81 -5.706 -3.769 -1.102 1447 1HG PRO 81 2HG PRO 81 -6.029 -6.607 -0.534 1448 2HG PRO 81 1HG PRO 81 -5.077 -5.815 -1.794 1449 1HD PRO 81 2HD PRO 81 -4.178 -6.894 0.745 1450 2HD PRO 81 1HD PRO 81 -3.211 -6.280 -0.614 1451 H GLY 82 H GLY 82 -6.262 -2.760 2.755 1452 1HA GLY 82 2HA GLY 82 -6.749 -5.140 4.469 1453 2HA GLY 82 1HA GLY 82 -6.888 -3.459 4.996 1454 H GLU 83 H GLU 83 -9.098 -4.367 5.748 1455 HA GLU 83 HA GLU 83 -11.046 -4.921 3.651 1456 1HB GLU 83 2HB GLU 83 -12.635 -4.799 5.570 1457 2HB GLU 83 1HB GLU 83 -11.275 -5.883 5.859 1458 1HG GLU 83 2HG GLU 83 -10.467 -3.291 6.714 1459 2HG GLU 83 1HG GLU 83 -12.077 -3.573 7.375 1460 H SER 84 H SER 84 -9.766 -2.041 5.111 1461 HA SER 84 HA SER 84 -11.897 -0.213 4.972 1462 1HB SER 84 2HB SER 84 -9.181 -0.146 5.387 1463 2HB SER 84 1HB SER 84 -9.321 0.705 3.852 1464 HG SER 84 HG SER 84 -9.950 1.533 6.333 1465 H LEU 85 H LEU 85 -9.770 -1.394 2.373 1466 HA LEU 85 HA LEU 85 -11.051 0.155 0.258 1467 1HB LEU 85 2HB LEU 85 -9.435 -2.416 0.135 1468 2HB LEU 85 1HB LEU 85 -9.696 -1.275 -1.179 1469 HG LEU 85 HG LEU 85 -8.637 0.139 1.072 1470 1HD1 LEU 85 1HD1 LEU 85 -6.718 -1.965 0.122 1471 2HD1 LEU 85 2HD1 LEU 85 -7.797 -2.310 1.472 1472 3HD1 LEU 85 3HD1 LEU 85 -6.647 -0.978 1.579 1473 1HD2 LEU 85 1HD2 LEU 85 -6.988 -0.480 -1.336 1474 2HD2 LEU 85 2HD2 LEU 85 -7.297 1.073 -0.561 1475 3HD2 LEU 85 3HD2 LEU 85 -8.522 0.349 -1.602 1476 H LYS 86 H LYS 86 -11.425 -2.993 1.747 1477 HA LYS 86 HA LYS 86 -13.208 -4.096 -0.226 1478 1HB LYS 86 2HB LYS 86 -12.428 -4.714 2.621 1479 2HB LYS 86 1HB LYS 86 -13.568 -5.727 1.742 1480 1HG LYS 86 2HG LYS 86 -11.704 -5.730 -0.109 1481 2HG LYS 86 1HG LYS 86 -10.646 -5.287 1.230 1482 1HD LYS 86 2HD LYS 86 -12.464 -7.714 1.154 1483 2HD LYS 86 1HD LYS 86 -10.717 -7.737 0.927 1484 1HE LYS 86 2HE LYS 86 -11.967 -6.582 3.431 1485 2HE LYS 86 1HE LYS 86 -11.551 -8.300 3.294 1486 1HZ LYS 86 1HZ LYS 86 -9.700 -6.958 4.172 1487 2HZ LYS 86 2HZ LYS 86 -9.681 -6.061 2.731 1488 3HZ LYS 86 3HZ LYS 86 -9.309 -7.717 2.706 1489 H LYS 87 H LYS 87 -13.653 -2.399 2.826 1490 HA LYS 87 HA LYS 87 -16.552 -2.673 2.778 1491 1HB LYS 87 2HB LYS 87 -15.336 -2.373 4.876 1492 2HB LYS 87 1HB LYS 87 -14.581 -0.899 4.268 1493 1HG LYS 87 2HG LYS 87 -16.440 0.372 4.661 1494 2HG LYS 87 1HG LYS 87 -17.544 -0.924 4.201 1495 1HD LYS 87 2HD LYS 87 -17.819 -0.545 6.570 1496 2HD LYS 87 1HD LYS 87 -16.963 -2.075 6.372 1497 1HE LYS 87 2HE LYS 87 -14.793 -0.666 6.586 1498 2HE LYS 87 1HE LYS 87 -15.852 0.594 7.251 1499 1HZ LYS 87 1HZ LYS 87 -16.710 -0.972 8.848 1500 2HZ LYS 87 2HZ LYS 87 -15.016 -0.925 8.979 1501 3HZ LYS 87 3HZ LYS 87 -15.774 -2.225 8.190 1502 H ALA 88 H ALA 88 -14.096 -0.354 1.766 1503 HA ALA 88 HA ALA 88 -15.965 1.680 0.870 1504 1HB ALA 88 1HB ALA 88 -13.960 2.611 -0.145 1505 2HB ALA 88 2HB ALA 88 -13.148 1.047 -0.076 1506 3HB ALA 88 3HB ALA 88 -13.492 1.929 1.413 1507 H ALA 89 H ALA 89 -14.430 -1.206 -0.447 1508 HA ALA 89 HA ALA 89 -15.078 -0.918 -3.193 1509 1HB ALA 89 1HB ALA 89 -13.612 -2.663 -2.443 1510 2HB ALA 89 2HB ALA 89 -15.043 -3.477 -3.076 1511 3HB ALA 89 3HB ALA 89 -14.829 -3.295 -1.338 1512 H GLU 90 H GLU 90 -16.986 -2.273 -0.508 1513 HA GLU 90 HA GLU 90 -19.309 -3.021 -1.974 1514 1HB GLU 90 2HB GLU 90 -18.686 -2.036 0.805 1515 2HB GLU 90 1HB GLU 90 -20.375 -2.209 0.327 1516 1HG GLU 90 2HG GLU 90 -20.245 -4.504 0.178 1517 2HG GLU 90 1HG GLU 90 -18.543 -4.481 -0.288 1518 H GLY 91 H GLY 91 -18.028 0.048 -0.846 1519 1HA GLY 91 2HA GLY 91 -20.272 1.725 -1.429 1520 2HA GLY 91 1HA GLY 91 -18.593 2.263 -1.370 1521 H LEU 92 H LEU 92 -17.576 0.562 -3.532 1522 HA LEU 92 HA LEU 92 -18.334 2.192 -5.807 1523 1HB LEU 92 2HB LEU 92 -16.522 1.113 -6.797 1524 2HB LEU 92 1HB LEU 92 -16.153 0.850 -5.101 1525 HG LEU 92 HG LEU 92 -17.740 -1.316 -5.619 1526 1HD1 LEU 92 1HD1 LEU 92 -17.259 -0.311 -8.144 1527 2HD1 LEU 92 2HD1 LEU 92 -17.653 -1.992 -7.787 1528 3HD1 LEU 92 3HD1 LEU 92 -15.969 -1.500 -7.964 1529 1HD2 LEU 92 1HD2 LEU 92 -14.941 -0.739 -5.182 1530 2HD2 LEU 92 2HD2 LEU 92 -15.104 -2.102 -6.288 1531 3HD2 LEU 92 3HD2 LEU 92 -15.865 -2.162 -4.699 1532 H LYS 93 H LYS 93 -20.285 0.073 -4.393 1533 HA LYS 93 HA LYS 93 -22.077 -1.266 -5.153 1534 1HB LYS 93 2HB LYS 93 -21.307 -0.177 -7.889 1535 2HB LYS 93 1HB LYS 93 -22.884 -0.781 -7.391 1536 1HG LYS 93 2HG LYS 93 -21.534 1.649 -6.180 1537 2HG LYS 93 1HG LYS 93 -22.769 1.718 -7.437 1538 1HD LYS 93 2HD LYS 93 -24.301 0.438 -5.911 1539 2HD LYS 93 1HD LYS 93 -23.084 0.590 -4.643 1540 1HE LYS 93 2HE LYS 93 -23.238 3.026 -4.717 1541 2HE LYS 93 1HE LYS 93 -24.361 2.941 -6.088 1542 1HZ LYS 93 1HZ LYS 93 -25.653 3.110 -4.103 1543 2HZ LYS 93 2HZ LYS 93 -24.784 1.855 -3.356 1544 3HZ LYS 93 3HZ LYS 93 -25.803 1.520 -4.675 1545 H TYR 94 H TYR 94 -19.466 -2.264 -4.818 1546 HA TYR 94 HA TYR 94 -18.108 -3.701 -6.688 1547 1HB TYR 94 2HB TYR 94 -17.254 -4.311 -4.686 1548 2HB TYR 94 1HB TYR 94 -18.762 -3.904 -3.867 1549 HD1 TYR 94 HD1 TYR 94 -20.171 -5.589 -3.061 1550 HD2 TYR 94 HD2 TYR 94 -17.141 -6.528 -5.942 1551 HE1 TYR 94 HE1 TYR 94 -20.721 -8.012 -2.847 1552 HE2 TYR 94 HE2 TYR 94 -17.680 -8.950 -5.735 1553 HH TYR 94 HH TYR 94 -18.713 -10.458 -4.166 1554 H GLU 95 H GLU 95 -21.322 -4.557 -5.431 1555 HA GLU 95 HA GLU 95 -21.580 -7.118 -6.651 1556 1HB GLU 95 2HB GLU 95 -24.024 -6.657 -6.379 1557 2HB GLU 95 1HB GLU 95 -23.091 -6.287 -4.931 1558 1HG GLU 95 2HG GLU 95 -24.268 -4.323 -5.050 1559 2HG GLU 95 1HG GLU 95 -22.970 -3.880 -6.154 1560 H ASP 96 H ASP 96 -22.356 -3.869 -7.896 1561 HA ASP 96 HA ASP 96 -23.460 -4.672 -10.413 1562 1HB ASP 96 2HB ASP 96 -22.238 -2.267 -9.157 1563 2HB ASP 96 1HB ASP 96 -22.218 -2.293 -10.919 1564 H PHE 97 H PHE 97 -20.182 -4.148 -9.244 1565 HA PHE 97 HA PHE 97 -18.862 -4.571 -11.812 1566 1HB PHE 97 2HB PHE 97 -18.247 -3.527 -9.334 1567 2HB PHE 97 1HB PHE 97 -17.402 -5.075 -9.292 1568 HD1 PHE 97 HD1 PHE 97 -15.696 -5.622 -11.006 1569 HD2 PHE 97 HD2 PHE 97 -17.556 -1.757 -10.810 1570 HE1 PHE 97 HE1 PHE 97 -13.902 -4.689 -12.442 1571 HE2 PHE 97 HE2 PHE 97 -15.764 -0.821 -12.247 1572 HZ PHE 97 HZ PHE 97 -13.937 -2.287 -13.064 1573 H ALA 98 H ALA 98 -19.990 -6.560 -9.160 1574 HA ALA 98 HA ALA 98 -18.440 -8.934 -9.813 1575 1HB ALA 98 1HB ALA 98 -21.049 -8.901 -8.319 1576 2HB ALA 98 2HB ALA 98 -19.641 -8.102 -7.620 1577 3HB ALA 98 3HB ALA 98 -19.590 -9.829 -7.974 1578 H LYS 99 H LYS 99 -21.922 -8.188 -10.088 1579 HA LYS 99 HA LYS 99 -22.519 -10.476 -11.749 1580 1HB LYS 99 2HB LYS 99 -23.887 -7.896 -10.980 1581 2HB LYS 99 1HB LYS 99 -24.645 -9.018 -12.113 1582 1HG LYS 99 2HG LYS 99 -24.418 -10.833 -10.424 1583 2HG LYS 99 1HG LYS 99 -23.750 -9.661 -9.287 1584 1HD LYS 99 2HD LYS 99 -25.955 -8.316 -9.881 1585 2HD LYS 99 1HD LYS 99 -26.552 -9.919 -10.317 1586 1HE LYS 99 2HE LYS 99 -25.504 -10.587 -7.962 1587 2HE LYS 99 1HE LYS 99 -25.763 -8.864 -7.625 1588 1HZ LYS 99 1HZ LYS 99 -27.774 -10.029 -7.112 1589 2HZ LYS 99 2HZ LYS 99 -27.774 -10.811 -8.620 1590 3HZ LYS 99 3HZ LYS 99 -28.038 -9.136 -8.530 Start of MODEL 4 1 1H MET 1 1H MET 1 5.308 3.121 10.332 2 2H MET 1 2H MET 1 6.715 4.052 10.129 3 3H MET 1 3H MET 1 5.904 3.429 8.774 4 HA MET 1 HA MET 1 5.034 5.609 10.580 5 1HB MET 1 2HB MET 1 6.079 5.205 7.836 6 2HB MET 1 1HB MET 1 4.763 6.369 7.972 7 1HG MET 1 2HG MET 1 5.982 7.789 9.374 8 2HG MET 1 1HG MET 1 7.055 6.498 9.909 9 1HE MET 1 1HE MET 1 5.835 8.444 6.766 10 2HE MET 1 2HE MET 1 6.009 6.779 6.223 11 3HE MET 1 3HE MET 1 7.069 8.027 5.572 12 H ASN 2 H ASN 2 2.868 6.597 9.449 13 HA ASN 2 HA ASN 2 1.103 4.682 8.201 14 1HB ASN 2 2HB ASN 2 -0.336 4.288 10.172 15 2HB ASN 2 1HB ASN 2 1.308 3.723 10.460 16 1HD2 ASN 2 1HD2 ASN 2 0.077 4.177 12.783 17 2HD2 ASN 2 2HD2 ASN 2 0.493 5.674 13.469 18 H LYS 3 H LYS 3 -1.362 5.542 9.114 19 HA LYS 3 HA LYS 3 -2.012 7.791 7.611 20 1HB LYS 3 2HB LYS 3 -3.367 6.032 9.085 21 2HB LYS 3 1HB LYS 3 -3.367 7.351 10.253 22 1HG LYS 3 2HG LYS 3 -4.844 8.591 9.037 23 2HG LYS 3 1HG LYS 3 -4.076 8.178 7.507 24 1HD LYS 3 2HD LYS 3 -5.193 6.017 7.463 25 2HD LYS 3 1HD LYS 3 -5.834 6.270 9.081 26 1HE LYS 3 2HE LYS 3 -6.531 8.050 6.704 27 2HE LYS 3 1HE LYS 3 -7.545 6.711 7.274 28 1HZ LYS 3 1HZ LYS 3 -6.713 9.125 8.790 29 2HZ LYS 3 2HZ LYS 3 -7.372 7.751 9.539 30 3HZ LYS 3 3HZ LYS 3 -8.289 8.628 8.411 31 H THR 4 H THR 4 -0.203 7.792 10.567 32 HA THR 4 HA THR 4 -0.599 10.756 10.841 33 HB THR 4 HB THR 4 0.268 8.686 12.881 34 HG1 THR 4 HG1 THR 4 -2.208 9.972 12.389 35 1HG2 THR 4 1HG2 THR 4 -0.818 11.326 13.677 36 2HG2 THR 4 2HG2 THR 4 0.786 11.347 12.942 37 3HG2 THR 4 3HG2 THR 4 0.491 10.385 14.391 38 H GLU 5 H GLU 5 1.842 8.248 11.553 39 HA GLU 5 HA GLU 5 4.146 9.793 11.731 40 1HB GLU 5 2HB GLU 5 3.480 7.139 11.609 41 2HB GLU 5 1HB GLU 5 4.400 7.349 10.125 42 1HG GLU 5 2HG GLU 5 6.131 6.909 11.601 43 2HG GLU 5 1HG GLU 5 6.051 8.666 11.739 44 H LEU 6 H LEU 6 2.618 8.526 8.773 45 HA LEU 6 HA LEU 6 4.515 9.654 6.930 46 1HB LEU 6 2HB LEU 6 1.656 8.712 6.818 47 2HB LEU 6 1HB LEU 6 2.399 9.446 5.398 48 HG LEU 6 HG LEU 6 4.089 7.427 6.703 49 1HD1 LEU 6 1HD1 LEU 6 2.066 6.080 5.080 50 2HD1 LEU 6 2HD1 LEU 6 1.385 6.776 6.550 51 3HD1 LEU 6 3HD1 LEU 6 2.719 5.628 6.654 52 1HD2 LEU 6 1HD2 LEU 6 3.291 7.044 3.912 53 2HD2 LEU 6 2HD2 LEU 6 4.899 7.294 4.593 54 3HD2 LEU 6 3HD2 LEU 6 3.871 8.680 4.230 55 H ILE 7 H ILE 7 1.618 11.026 8.500 56 HA ILE 7 HA ILE 7 1.351 13.324 6.853 57 HB ILE 7 HB ILE 7 0.038 14.224 8.592 58 1HG1 ILE 7 2HG1 ILE 7 0.459 12.723 10.920 59 2HG1 ILE 7 1HG1 ILE 7 2.063 13.150 10.350 60 1HG2 ILE 7 1HG2 ILE 7 -0.049 11.262 9.120 61 2HG2 ILE 7 2HG2 ILE 7 -0.728 12.024 7.690 62 3HG2 ILE 7 3HG2 ILE 7 -1.371 12.413 9.282 63 1HD1 ILE 7 1HD1 ILE 7 1.287 15.526 10.121 64 2HD1 ILE 7 2HD1 ILE 7 1.292 14.934 11.782 65 3HD1 ILE 7 3HD1 ILE 7 -0.226 15.046 10.890 66 H LYS 8 H LYS 8 3.421 12.708 9.665 67 HA LYS 8 HA LYS 8 4.661 15.315 9.664 68 1HB LYS 8 2HB LYS 8 5.328 12.575 10.725 69 2HB LYS 8 1HB LYS 8 6.509 13.877 10.843 70 1HG LYS 8 2HG LYS 8 5.342 14.964 12.458 71 2HG LYS 8 1HG LYS 8 3.792 14.652 11.678 72 1HD LYS 8 2HD LYS 8 5.381 12.626 13.280 73 2HD LYS 8 1HD LYS 8 3.956 13.490 13.858 74 1HE LYS 8 2HE LYS 8 2.642 12.500 11.964 75 2HE LYS 8 1HE LYS 8 4.066 11.539 11.531 76 1HZ LYS 8 1HZ LYS 8 2.858 11.587 14.248 77 2HZ LYS 8 2HZ LYS 8 4.098 10.564 13.696 78 3HZ LYS 8 3HZ LYS 8 2.519 10.393 13.093 79 H ALA 9 H ALA 9 5.242 12.257 7.973 80 HA ALA 9 HA ALA 9 7.799 12.752 6.860 81 1HB ALA 9 1HB ALA 9 5.521 11.596 5.265 82 2HB ALA 9 2HB ALA 9 6.077 10.767 6.719 83 3HB ALA 9 3HB ALA 9 7.188 11.034 5.377 84 H ILE 10 H ILE 10 4.577 13.912 5.806 85 HA ILE 10 HA ILE 10 5.831 15.466 3.618 86 HB ILE 10 HB ILE 10 3.148 14.477 4.443 87 1HG1 ILE 10 2HG1 ILE 10 2.858 14.357 1.977 88 2HG1 ILE 10 1HG1 ILE 10 4.419 15.153 1.776 89 1HG2 ILE 10 1HG2 ILE 10 1.948 16.245 3.143 90 2HG2 ILE 10 2HG2 ILE 10 3.449 17.165 3.073 91 3HG2 ILE 10 3HG2 ILE 10 2.676 16.860 4.627 92 1HD1 ILE 10 1HD1 ILE 10 5.467 13.291 3.102 93 2HD1 ILE 10 2HD1 ILE 10 4.761 12.759 1.576 94 3HD1 ILE 10 3HD1 ILE 10 3.905 12.471 3.092 95 H ALA 11 H ALA 11 4.398 15.773 6.814 96 HA ALA 11 HA ALA 11 4.197 18.651 6.838 97 1HB ALA 11 1HB ALA 11 3.575 18.246 9.041 98 2HB ALA 11 2HB ALA 11 4.881 17.092 9.297 99 3HB ALA 11 3HB ALA 11 3.427 16.601 8.434 100 H GLN 12 H GLN 12 6.836 16.477 6.782 101 HA GLN 12 HA GLN 12 8.708 18.568 7.783 102 1HB GLN 12 2HB GLN 12 8.910 16.634 9.144 103 2HB GLN 12 1HB GLN 12 8.654 15.548 7.784 104 1HG GLN 12 2HG GLN 12 10.893 15.291 7.754 105 2HG GLN 12 1HG GLN 12 10.963 16.911 7.066 106 1HE2 GLN 12 1HE2 GLN 12 12.582 15.269 9.272 107 2HE2 GLN 12 2HE2 GLN 12 12.792 16.432 10.490 108 H ASP 13 H ASP 13 8.242 16.056 5.256 109 HA ASP 13 HA ASP 13 10.500 16.836 3.629 110 1HB ASP 13 2HB ASP 13 7.809 15.533 3.116 111 2HB ASP 13 1HB ASP 13 8.977 15.790 1.821 112 H THR 14 H THR 14 7.219 17.879 4.042 113 HA THR 14 HA THR 14 7.485 20.047 2.026 114 HB THR 14 HB THR 14 4.941 19.661 3.449 115 HG1 THR 14 HG1 THR 14 6.034 17.504 1.960 116 1HG2 THR 14 1HG2 THR 14 4.227 19.257 1.054 117 2HG2 THR 14 2HG2 THR 14 5.911 19.531 0.610 118 3HG2 THR 14 3HG2 THR 14 4.984 20.813 1.379 119 H GLY 15 H GLY 15 5.803 19.730 5.164 120 1HA GLY 15 2HA GLY 15 5.622 21.267 6.944 121 2HA GLY 15 1HA GLY 15 7.379 21.307 6.816 122 H LEU 16 H LEU 16 5.370 22.392 4.203 123 HA LEU 16 HA LEU 16 6.523 25.094 4.468 124 1HB LEU 16 2HB LEU 16 4.692 25.150 2.344 125 2HB LEU 16 1HB LEU 16 6.440 24.990 2.221 126 HG LEU 16 HG LEU 16 6.089 22.517 2.609 127 1HD1 LEU 16 1HD1 LEU 16 3.480 23.328 3.109 128 2HD1 LEU 16 2HD1 LEU 16 3.978 21.671 2.791 129 3HD1 LEU 16 3HD1 LEU 16 3.379 22.683 1.476 130 1HD2 LEU 16 1HD2 LEU 16 6.171 24.001 0.301 131 2HD2 LEU 16 2HD2 LEU 16 4.672 23.102 0.078 132 3HD2 LEU 16 3HD2 LEU 16 6.188 22.239 0.341 133 H THR 17 H THR 17 3.570 23.423 4.996 134 HA THR 17 HA THR 17 2.375 25.796 6.279 135 HB THR 17 HB THR 17 1.926 25.249 3.616 136 HG1 THR 17 HG1 THR 17 0.142 26.398 5.499 137 1HG2 THR 17 1HG2 THR 17 -0.236 23.922 5.260 138 2HG2 THR 17 2HG2 THR 17 0.751 23.204 3.987 139 3HG2 THR 17 3HG2 THR 17 -0.458 24.418 3.589 140 H GLN 18 H GLN 18 2.838 22.413 6.036 141 HA GLN 18 HA GLN 18 1.930 20.602 7.255 142 1HB GLN 18 2HB GLN 18 0.709 22.680 9.079 143 2HB GLN 18 1HB GLN 18 1.412 21.120 9.509 144 1HG GLN 18 2HG GLN 18 3.631 22.107 8.609 145 2HG GLN 18 1HG GLN 18 2.825 23.670 8.748 146 1HE2 GLN 18 1HE2 GLN 18 2.840 20.728 10.851 147 2HE2 GLN 18 2HE2 GLN 18 3.259 21.567 12.266 148 H VAL 19 H VAL 19 0.573 21.813 5.082 149 HA VAL 19 HA VAL 19 -1.939 22.614 4.913 150 HB VAL 19 HB VAL 19 -1.017 21.769 2.933 151 1HG1 VAL 19 1HG1 VAL 19 0.676 20.314 3.454 152 2HG1 VAL 19 2HG1 VAL 19 -0.519 19.152 2.879 153 3HG1 VAL 19 3HG1 VAL 19 -0.304 19.417 4.609 154 1HG2 VAL 19 1HG2 VAL 19 -2.741 20.638 1.991 155 2HG2 VAL 19 2HG2 VAL 19 -3.487 20.731 3.584 156 3HG2 VAL 19 3HG2 VAL 19 -2.596 19.290 3.114 157 H SER 20 H SER 20 -2.129 19.171 4.861 158 HA SER 20 HA SER 20 -3.838 19.116 7.250 159 1HB SER 20 2HB SER 20 -4.411 18.569 4.393 160 2HB SER 20 1HB SER 20 -5.038 17.398 5.528 161 HG SER 20 HG SER 20 -5.373 20.139 6.031 162 H VAL 21 H VAL 21 -0.982 18.295 6.349 163 HA VAL 21 HA VAL 21 -0.286 15.835 5.747 164 HB VAL 21 HB VAL 21 1.168 15.777 7.786 165 1HG1 VAL 21 1HG1 VAL 21 0.971 17.848 5.806 166 2HG1 VAL 21 2HG1 VAL 21 2.417 17.195 6.575 167 3HG1 VAL 21 3HG1 VAL 21 1.560 18.546 7.314 168 1HG2 VAL 21 1HG2 VAL 21 0.945 17.759 9.346 169 2HG2 VAL 21 2HG2 VAL 21 -0.352 16.571 9.479 170 3HG2 VAL 21 3HG2 VAL 21 -0.622 18.077 8.602 171 H SER 22 H SER 22 -2.174 16.632 8.554 172 HA SER 22 HA SER 22 -2.640 13.808 9.319 173 1HB SER 22 2HB SER 22 -2.598 16.211 10.635 174 2HB SER 22 1HB SER 22 -4.330 15.977 10.416 175 HG SER 22 HG SER 22 -3.001 14.961 12.301 176 H LYS 23 H LYS 23 -4.417 16.472 7.786 177 HA LYS 23 HA LYS 23 -6.830 14.861 7.439 178 1HB LYS 23 2HB LYS 23 -6.006 17.611 7.406 179 2HB LYS 23 1HB LYS 23 -6.871 17.247 5.914 180 1HG LYS 23 2HG LYS 23 -8.716 16.261 7.256 181 2HG LYS 23 1HG LYS 23 -7.862 16.724 8.728 182 1HD LYS 23 2HD LYS 23 -9.647 18.366 7.997 183 2HD LYS 23 1HD LYS 23 -8.042 19.068 8.189 184 1HE LYS 23 2HE LYS 23 -7.882 19.578 5.971 185 2HE LYS 23 1HE LYS 23 -8.559 18.013 5.477 186 1HZ LYS 23 1HZ LYS 23 -10.135 19.746 4.970 187 2HZ LYS 23 2HZ LYS 23 -10.074 20.331 6.563 188 3HZ LYS 23 3HZ LYS 23 -10.747 18.804 6.241 189 H MET 24 H MET 24 -4.080 15.884 5.352 190 HA MET 24 HA MET 24 -5.453 14.936 2.958 191 1HB MET 24 2HB MET 24 -2.782 15.031 2.280 192 2HB MET 24 1HB MET 24 -3.910 16.368 2.138 193 1HG MET 24 2HG MET 24 -2.963 17.508 3.870 194 2HG MET 24 1HG MET 24 -2.678 16.036 4.795 195 1HE MET 24 1HE MET 24 0.226 14.530 4.131 196 2HE MET 24 2HE MET 24 -0.707 14.171 2.680 197 3HE MET 24 3HE MET 24 -1.532 14.364 4.224 198 H LEU 25 H LEU 25 -3.112 13.586 5.292 199 HA LEU 25 HA LEU 25 -2.797 11.123 3.714 200 1HB LEU 25 2HB LEU 25 -2.116 11.984 6.530 201 2HB LEU 25 1HB LEU 25 -1.761 10.369 5.929 202 HG LEU 25 HG LEU 25 -0.472 12.968 5.253 203 1HD1 LEU 25 1HD1 LEU 25 0.398 10.865 6.575 204 2HD1 LEU 25 2HD1 LEU 25 1.475 11.736 5.484 205 3HD1 LEU 25 3HD1 LEU 25 0.713 10.237 4.958 206 1HD2 LEU 25 1HD2 LEU 25 0.319 12.049 3.063 207 2HD2 LEU 25 2HD2 LEU 25 -1.412 12.384 3.065 208 3HD2 LEU 25 3HD2 LEU 25 -0.835 10.727 3.234 209 H ALA 26 H ALA 26 -4.626 12.178 6.588 210 HA ALA 26 HA ALA 26 -5.946 9.696 7.101 211 1HB ALA 26 1HB ALA 26 -6.794 12.593 7.452 212 2HB ALA 26 2HB ALA 26 -6.007 11.575 8.659 213 3HB ALA 26 3HB ALA 26 -7.660 11.227 8.154 214 H SER 27 H SER 27 -6.486 12.335 4.833 215 HA SER 27 HA SER 27 -8.996 11.229 3.799 216 1HB SER 27 2HB SER 27 -8.871 13.133 2.294 217 2HB SER 27 1HB SER 27 -8.409 13.675 3.903 218 HG SER 27 HG SER 27 -7.007 13.767 1.648 219 H PHE 28 H PHE 28 -5.558 11.055 3.099 220 HA PHE 28 HA PHE 28 -5.705 10.068 0.397 221 1HB PHE 28 2HB PHE 28 -3.560 10.672 0.958 222 2HB PHE 28 1HB PHE 28 -3.776 10.216 2.643 223 HD1 PHE 28 HD1 PHE 28 -3.132 8.051 3.444 224 HD2 PHE 28 HD2 PHE 28 -3.107 8.849 -0.776 225 HE1 PHE 28 HE1 PHE 28 -1.843 6.004 3.067 226 HE2 PHE 28 HE2 PHE 28 -1.815 6.792 -1.148 227 HZ PHE 28 HZ PHE 28 -1.177 5.355 0.763 228 H GLU 29 H GLU 29 -6.087 8.596 3.547 229 HA GLU 29 HA GLU 29 -6.208 5.884 2.435 230 1HB GLU 29 2HB GLU 29 -6.151 7.256 5.112 231 2HB GLU 29 1HB GLU 29 -6.621 5.556 4.997 232 1HG GLU 29 2HG GLU 29 -4.548 4.889 4.330 233 2HG GLU 29 1HG GLU 29 -4.264 6.360 3.421 234 H LYS 30 H LYS 30 -8.069 8.590 3.343 235 HA LYS 30 HA LYS 30 -10.627 7.137 3.448 236 1HB LYS 30 2HB LYS 30 -9.868 9.354 4.665 237 2HB LYS 30 1HB LYS 30 -10.298 10.112 3.132 238 1HG LYS 30 2HG LYS 30 -12.518 9.830 3.477 239 2HG LYS 30 1HG LYS 30 -12.304 8.193 4.095 240 1HD LYS 30 2HD LYS 30 -12.555 8.936 6.202 241 2HD LYS 30 1HD LYS 30 -11.176 10.017 5.996 242 1HE LYS 30 2HE LYS 30 -13.599 11.002 4.651 243 2HE LYS 30 1HE LYS 30 -13.781 10.855 6.410 244 1HZ LYS 30 1HZ LYS 30 -11.592 12.240 4.954 245 2HZ LYS 30 2HZ LYS 30 -11.591 11.956 6.629 246 3HZ LYS 30 3HZ LYS 30 -12.772 12.961 5.936 247 H ILE 31 H ILE 31 -8.489 8.597 1.111 248 HA ILE 31 HA ILE 31 -10.639 8.628 -0.955 249 HB ILE 31 HB ILE 31 -8.965 9.897 -2.246 250 1HG1 ILE 31 2HG1 ILE 31 -7.125 10.761 -0.418 251 2HG1 ILE 31 1HG1 ILE 31 -7.253 9.039 -0.083 252 1HG2 ILE 31 1HG2 ILE 31 -9.942 10.783 0.419 253 2HG2 ILE 31 2HG2 ILE 31 -10.378 11.375 -1.183 254 3HG2 ILE 31 3HG2 ILE 31 -8.842 11.849 -0.456 255 1HD1 ILE 31 1HD1 ILE 31 -7.017 9.999 -2.916 256 2HD1 ILE 31 2HD1 ILE 31 -6.591 8.426 -2.243 257 3HD1 ILE 31 3HD1 ILE 31 -5.574 9.830 -1.917 258 H ILE 32 H ILE 32 -7.543 7.212 -0.091 259 HA ILE 32 HA ILE 32 -7.094 5.701 -2.519 260 HB ILE 32 HB ILE 32 -6.321 5.268 0.403 261 1HG1 ILE 32 2HG1 ILE 32 -5.381 7.159 -1.252 262 2HG1 ILE 32 1HG1 ILE 32 -4.325 6.316 -0.122 263 1HG2 ILE 32 1HG2 ILE 32 -4.595 3.664 -0.738 264 2HG2 ILE 32 2HG2 ILE 32 -5.778 3.598 -2.045 265 3HG2 ILE 32 3HG2 ILE 32 -6.231 3.082 -0.420 266 1HD1 ILE 32 1HD1 ILE 32 -4.758 5.152 -2.845 267 2HD1 ILE 32 2HD1 ILE 32 -3.352 5.027 -1.789 268 3HD1 ILE 32 3HD1 ILE 32 -3.664 6.523 -2.669 269 H THR 33 H THR 33 -8.578 5.110 0.562 270 HA THR 33 HA THR 33 -9.608 2.536 0.049 271 HB THR 33 HB THR 33 -10.093 4.860 1.892 272 HG1 THR 33 HG1 THR 33 -8.926 3.567 3.310 273 1HG2 THR 33 1HG2 THR 33 -11.469 2.251 1.772 274 2HG2 THR 33 2HG2 THR 33 -12.093 3.849 2.187 275 3HG2 THR 33 3HG2 THR 33 -11.101 2.959 3.344 276 H GLU 34 H GLU 34 -11.093 5.752 0.180 277 HA GLU 34 HA GLU 34 -13.675 5.055 -0.829 278 1HB GLU 34 2HB GLU 34 -11.960 7.508 -0.582 279 2HB GLU 34 1HB GLU 34 -13.551 7.621 -1.325 280 1HG GLU 34 2HG GLU 34 -13.052 6.389 1.410 281 2HG GLU 34 1HG GLU 34 -13.556 8.065 1.173 282 H THR 35 H THR 35 -10.651 5.947 -2.497 283 HA THR 35 HA THR 35 -11.716 6.502 -5.084 284 HB THR 35 HB THR 35 -9.106 5.429 -4.015 285 HG1 THR 35 HG1 THR 35 -9.907 7.755 -5.422 286 1HG2 THR 35 1HG2 THR 35 -10.121 5.211 -6.769 287 2HG2 THR 35 2HG2 THR 35 -8.762 4.391 -6.007 288 3HG2 THR 35 3HG2 THR 35 -8.562 6.020 -6.649 289 H VAL 36 H VAL 36 -10.474 3.430 -3.732 290 HA VAL 36 HA VAL 36 -11.168 1.793 -5.948 291 HB VAL 36 HB VAL 36 -10.773 1.520 -3.022 292 1HG1 VAL 36 1HG1 VAL 36 -11.634 -0.821 -2.989 293 2HG1 VAL 36 2HG1 VAL 36 -12.326 -0.567 -4.587 294 3HG1 VAL 36 3HG1 VAL 36 -12.922 0.358 -3.210 295 1HG2 VAL 36 1HG2 VAL 36 -8.914 0.528 -3.816 296 2HG2 VAL 36 2HG2 VAL 36 -9.489 0.831 -5.454 297 3HG2 VAL 36 3HG2 VAL 36 -9.882 -0.687 -4.650 298 H ALA 37 H ALA 37 -13.130 2.987 -3.220 299 HA ALA 37 HA ALA 37 -15.587 1.719 -4.122 300 1HB ALA 37 1HB ALA 37 -15.401 4.174 -2.399 301 2HB ALA 37 2HB ALA 37 -14.884 2.604 -1.792 302 3HB ALA 37 3HB ALA 37 -16.552 2.843 -2.302 303 H LYS 38 H LYS 38 -13.747 4.313 -5.307 304 HA LYS 38 HA LYS 38 -16.131 5.689 -6.466 305 1HB LYS 38 2HB LYS 38 -13.665 6.529 -5.367 306 2HB LYS 38 1HB LYS 38 -13.530 6.813 -7.103 307 1HG LYS 38 2HG LYS 38 -14.487 8.796 -6.101 308 2HG LYS 38 1HG LYS 38 -15.761 7.981 -7.009 309 1HD LYS 38 2HD LYS 38 -16.726 8.557 -4.898 310 2HD LYS 38 1HD LYS 38 -16.398 6.825 -4.827 311 1HE LYS 38 2HE LYS 38 -15.327 7.328 -2.868 312 2HE LYS 38 1HE LYS 38 -14.018 7.906 -3.919 313 1HZ LYS 38 1HZ LYS 38 -15.173 10.065 -4.031 314 2HZ LYS 38 2HZ LYS 38 -14.675 9.678 -2.454 315 3HZ LYS 38 3HZ LYS 38 -16.306 9.505 -2.898 316 H GLY 39 H GLY 39 -13.451 3.624 -7.161 317 1HA GLY 39 2HA GLY 39 -13.510 2.205 -9.102 318 2HA GLY 39 1HA GLY 39 -14.401 3.464 -9.953 319 H ASP 40 H ASP 40 -11.390 3.802 -8.054 320 HA ASP 40 HA ASP 40 -10.047 4.548 -10.647 321 1HB ASP 40 2HB ASP 40 -10.670 6.141 -8.327 322 2HB ASP 40 1HB ASP 40 -8.919 6.050 -8.523 323 H LYS 41 H LYS 41 -8.076 3.611 -10.956 324 HA LYS 41 HA LYS 41 -7.046 1.717 -8.956 325 1HB LYS 41 2HB LYS 41 -6.585 2.443 -11.830 326 2HB LYS 41 1HB LYS 41 -5.321 1.552 -10.980 327 1HG LYS 41 2HG LYS 41 -6.486 -0.347 -11.285 328 2HG LYS 41 1HG LYS 41 -7.791 0.318 -10.304 329 1HD LYS 41 2HD LYS 41 -8.350 1.608 -12.568 330 2HD LYS 41 1HD LYS 41 -7.510 0.230 -13.278 331 1HE LYS 41 2HE LYS 41 -9.038 -1.332 -12.212 332 2HE LYS 41 1HE LYS 41 -9.815 -0.014 -11.311 333 1HZ LYS 41 1HZ LYS 41 -10.266 1.051 -13.500 334 2HZ LYS 41 2HZ LYS 41 -11.110 -0.404 -13.257 335 3HZ LYS 41 3HZ LYS 41 -9.737 -0.371 -14.259 336 H VAL 42 H VAL 42 -6.262 3.120 -7.315 337 HA VAL 42 HA VAL 42 -4.545 5.383 -7.763 338 HB VAL 42 HB VAL 42 -4.915 3.543 -5.379 339 1HG1 VAL 42 1HG1 VAL 42 -3.323 4.782 -4.380 340 2HG1 VAL 42 2HG1 VAL 42 -4.340 6.206 -4.598 341 3HG1 VAL 42 3HG1 VAL 42 -3.146 5.778 -5.823 342 1HG2 VAL 42 1HG2 VAL 42 -6.155 6.230 -5.466 343 2HG2 VAL 42 2HG2 VAL 42 -6.821 4.701 -4.892 344 3HG2 VAL 42 3HG2 VAL 42 -6.815 5.068 -6.617 345 H GLN 43 H GLN 43 -2.272 5.554 -7.561 346 HA GLN 43 HA GLN 43 -0.614 3.160 -7.127 347 1HB GLN 43 2HB GLN 43 0.490 3.650 -9.437 348 2HB GLN 43 1HB GLN 43 -1.038 2.772 -9.420 349 1HG GLN 43 2HG GLN 43 -2.272 4.766 -9.975 350 2HG GLN 43 1HG GLN 43 -0.842 5.773 -9.755 351 1HE2 GLN 43 1HE2 GLN 43 1.139 4.697 -11.188 352 2HE2 GLN 43 2HE2 GLN 43 0.708 4.425 -12.807 353 H LEU 44 H LEU 44 1.547 3.751 -6.620 354 HA LEU 44 HA LEU 44 1.962 6.667 -6.170 355 1HB LEU 44 2HB LEU 44 3.573 4.291 -5.187 356 2HB LEU 44 1HB LEU 44 3.585 5.930 -4.541 357 HG LEU 44 HG LEU 44 1.228 4.023 -4.487 358 1HD1 LEU 44 1HD1 LEU 44 1.574 4.038 -2.056 359 2HD1 LEU 44 2HD1 LEU 44 2.942 5.131 -2.243 360 3HD1 LEU 44 3HD1 LEU 44 3.041 3.492 -2.858 361 1HD2 LEU 44 1HD2 LEU 44 0.132 6.035 -4.521 362 2HD2 LEU 44 2HD2 LEU 44 1.546 6.932 -3.971 363 3HD2 LEU 44 3HD2 LEU 44 0.569 6.032 -2.814 364 H THR 45 H THR 45 3.126 7.707 -7.701 365 HA THR 45 HA THR 45 4.395 7.910 -9.721 366 HB THR 45 HB THR 45 5.885 8.762 -8.153 367 HG1 THR 45 HG1 THR 45 7.097 8.053 -9.867 368 1HG2 THR 45 1HG2 THR 45 7.218 7.071 -6.666 369 2HG2 THR 45 2HG2 THR 45 5.880 5.986 -7.019 370 3HG2 THR 45 3HG2 THR 45 5.578 7.518 -6.205 371 H GLY 46 H GLY 46 6.625 5.421 -8.639 372 1HA GLY 46 2HA GLY 46 5.635 3.681 -10.847 373 2HA GLY 46 1HA GLY 46 7.347 4.051 -10.677 374 H PHE 47 H PHE 47 6.040 3.734 -7.551 375 HA PHE 47 HA PHE 47 7.074 0.951 -7.519 376 1HB PHE 47 2HB PHE 47 7.649 1.276 -5.247 377 2HB PHE 47 1HB PHE 47 8.165 2.703 -6.109 378 HD1 PHE 47 HD1 PHE 47 6.194 1.389 -3.375 379 HD2 PHE 47 HD2 PHE 47 6.772 4.832 -5.875 380 HE1 PHE 47 HE1 PHE 47 5.100 2.801 -1.692 381 HE2 PHE 47 HE2 PHE 47 5.663 6.240 -4.188 382 HZ PHE 47 HZ PHE 47 4.824 5.233 -2.090 383 H LEU 48 H LEU 48 4.435 2.641 -5.731 384 HA LEU 48 HA LEU 48 3.056 0.059 -5.517 385 1HB LEU 48 2HB LEU 48 3.136 2.631 -4.262 386 2HB LEU 48 1HB LEU 48 1.467 2.166 -4.579 387 HG LEU 48 HG LEU 48 2.331 1.383 -2.381 388 1HD1 LEU 48 1HD1 LEU 48 1.879 -1.067 -4.069 389 2HD1 LEU 48 2HD1 LEU 48 0.614 0.160 -4.023 390 3HD1 LEU 48 3HD1 LEU 48 1.131 -0.630 -2.533 391 1HD2 LEU 48 1HD2 LEU 48 3.809 -0.888 -3.448 392 2HD2 LEU 48 2HD2 LEU 48 4.301 0.270 -2.212 393 3HD2 LEU 48 3HD2 LEU 48 4.564 0.632 -3.914 394 H ASN 49 H ASN 49 1.197 -0.562 -6.484 395 HA ASN 49 HA ASN 49 -0.375 1.356 -8.140 396 1HB ASN 49 2HB ASN 49 1.521 -0.164 -9.336 397 2HB ASN 49 1HB ASN 49 0.169 -1.294 -9.378 398 1HD2 ASN 49 1HD2 ASN 49 -2.023 0.011 -10.033 399 2HD2 ASN 49 2HD2 ASN 49 -1.848 0.994 -11.405 400 H ILE 50 H ILE 50 -2.081 1.067 -6.577 401 HA ILE 50 HA ILE 50 -3.049 -1.638 -5.914 402 HB ILE 50 HB ILE 50 -4.167 1.121 -5.328 403 1HG1 ILE 50 2HG1 ILE 50 -1.841 0.882 -4.527 404 2HG1 ILE 50 1HG1 ILE 50 -2.970 0.920 -3.175 405 1HG2 ILE 50 1HG2 ILE 50 -4.610 -1.584 -4.031 406 2HG2 ILE 50 2HG2 ILE 50 -5.794 -0.658 -4.953 407 3HG2 ILE 50 3HG2 ILE 50 -5.220 -0.055 -3.397 408 1HD1 ILE 50 1HD1 ILE 50 -2.125 -1.045 -2.476 409 2HD1 ILE 50 2HD1 ILE 50 -1.110 -1.158 -3.913 410 3HD1 ILE 50 3HD1 ILE 50 -2.753 -1.796 -3.941 411 H LYS 51 H LYS 51 -5.345 -2.292 -6.368 412 HA LYS 51 HA LYS 51 -6.900 -0.761 -8.309 413 1HB LYS 51 2HB LYS 51 -6.647 -2.579 -10.091 414 2HB LYS 51 1HB LYS 51 -5.233 -1.557 -9.838 415 1HG LYS 51 2HG LYS 51 -4.019 -3.246 -8.826 416 2HG LYS 51 1HG LYS 51 -5.459 -4.065 -8.222 417 1HD LYS 51 2HD LYS 51 -5.055 -3.900 -11.183 418 2HD LYS 51 1HD LYS 51 -4.095 -5.063 -10.267 419 1HE LYS 51 2HE LYS 51 -6.385 -5.743 -9.192 420 2HE LYS 51 1HE LYS 51 -7.085 -4.954 -10.619 421 1HZ LYS 51 1HZ LYS 51 -5.073 -7.137 -10.579 422 2HZ LYS 51 2HZ LYS 51 -5.476 -6.259 -11.976 423 3HZ LYS 51 3HZ LYS 51 -6.649 -7.210 -11.199 424 HA PRO 52 HA PRO 52 -9.738 -3.480 -6.192 425 1HB PRO 52 2HB PRO 52 -12.037 -2.390 -7.174 426 2HB PRO 52 1HB PRO 52 -11.080 -1.625 -5.890 427 1HG PRO 52 2HG PRO 52 -11.252 -0.964 -8.772 428 2HG PRO 52 1HG PRO 52 -11.025 0.101 -7.378 429 1HD PRO 52 2HD PRO 52 -9.019 -0.713 -9.098 430 2HD PRO 52 1HD PRO 52 -8.765 -0.096 -7.452 431 H VAL 53 H VAL 53 -10.980 -5.299 -6.770 432 HA VAL 53 HA VAL 53 -11.517 -5.759 -9.661 433 HB VAL 53 HB VAL 53 -10.492 -7.989 -9.472 434 1HG1 VAL 53 1HG1 VAL 53 -9.175 -5.935 -10.159 435 2HG1 VAL 53 2HG1 VAL 53 -8.192 -7.241 -9.497 436 3HG1 VAL 53 3HG1 VAL 53 -8.584 -5.840 -8.500 437 1HG2 VAL 53 1HG2 VAL 53 -8.917 -7.697 -7.136 438 2HG2 VAL 53 2HG2 VAL 53 -10.215 -8.861 -7.405 439 3HG2 VAL 53 3HG2 VAL 53 -10.568 -7.303 -6.662 440 H ALA 54 H ALA 54 -13.644 -6.150 -9.755 441 HA ALA 54 HA ALA 54 -15.372 -6.810 -7.638 442 1HB ALA 54 1HB ALA 54 -16.705 -7.787 -9.769 443 2HB ALA 54 2HB ALA 54 -15.445 -6.873 -10.600 444 3HB ALA 54 3HB ALA 54 -16.519 -6.059 -9.462 445 H ARG 55 H ARG 55 -16.142 -8.662 -6.762 446 HA ARG 55 HA ARG 55 -15.847 -11.312 -7.856 447 1HB ARG 55 2HB ARG 55 -14.131 -12.065 -6.161 448 2HB ARG 55 1HB ARG 55 -13.491 -10.930 -7.350 449 1HG ARG 55 2HG ARG 55 -12.943 -9.470 -5.729 450 2HG ARG 55 1HG ARG 55 -14.600 -9.466 -5.127 451 1HD ARG 55 2HD ARG 55 -13.346 -10.278 -3.283 452 2HD ARG 55 1HD ARG 55 -13.952 -11.763 -4.042 453 HE ARG 55 HE ARG 55 -11.193 -10.677 -4.407 454 1HH1 ARG 55 1HH2 ARG 55 -11.668 -13.248 -2.942 455 2HH1 ARG 55 2HH2 ARG 55 -11.380 -14.428 -4.177 456 1HH2 ARG 55 1HH1 ARG 55 -11.637 -12.152 -6.781 457 2HH2 ARG 55 2HH1 ARG 55 -11.363 -13.808 -6.351 458 H GLN 56 H GLN 56 -18.036 -11.436 -7.165 459 HA GLN 56 HA GLN 56 -19.167 -10.629 -4.741 460 1HB GLN 56 2HB GLN 56 -19.755 -13.104 -6.382 461 2HB GLN 56 1HB GLN 56 -20.866 -12.343 -5.244 462 1HG GLN 56 2HG GLN 56 -21.427 -10.708 -6.709 463 2HG GLN 56 1HG GLN 56 -19.752 -10.462 -7.206 464 1HE2 GLN 56 1HE2 GLN 56 -20.318 -10.448 -9.500 465 2HE2 GLN 56 2HE2 GLN 56 -20.784 -11.870 -10.304 466 H ALA 57 H ALA 57 -20.158 -12.438 -3.183 467 HA ALA 57 HA ALA 57 -18.008 -13.386 -1.536 468 1HB ALA 57 1HB ALA 57 -20.612 -12.785 -1.207 469 2HB ALA 57 2HB ALA 57 -19.734 -13.811 -0.072 470 3HB ALA 57 3HB ALA 57 -20.746 -14.540 -1.321 471 H ARG 58 H ARG 58 -18.222 -15.818 -0.743 472 HA ARG 58 HA ARG 58 -18.660 -17.733 -2.964 473 1HB ARG 58 2HB ARG 58 -16.058 -16.840 -1.779 474 2HB ARG 58 1HB ARG 58 -16.210 -18.490 -2.379 475 1HG ARG 58 2HG ARG 58 -17.108 -17.486 -4.541 476 2HG ARG 58 1HG ARG 58 -16.589 -15.918 -3.922 477 1HD ARG 58 2HD ARG 58 -14.826 -16.885 -5.358 478 2HD ARG 58 1HD ARG 58 -14.265 -16.833 -3.675 479 HE ARG 58 HE ARG 58 -14.577 -19.213 -3.527 480 1HH1 ARG 58 1HH2 ARG 58 -13.293 -19.230 -6.197 481 2HH1 ARG 58 2HH2 ARG 58 -14.411 -20.145 -7.153 482 1HH2 ARG 58 1HH1 ARG 58 -17.024 -19.806 -4.898 483 2HH2 ARG 58 2HH1 ARG 58 -16.524 -20.469 -6.418 484 H LYS 59 H LYS 59 -19.427 -17.101 0.009 485 HA LYS 59 HA LYS 59 -18.482 -18.966 1.840 486 1HB LYS 59 2HB LYS 59 -20.741 -18.767 2.849 487 2HB LYS 59 1HB LYS 59 -20.129 -17.207 2.299 488 1HG LYS 59 2HG LYS 59 -21.394 -18.032 0.044 489 2HG LYS 59 1HG LYS 59 -22.396 -18.820 1.264 490 1HD LYS 59 2HD LYS 59 -22.141 -16.372 2.394 491 2HD LYS 59 1HD LYS 59 -22.040 -15.929 0.689 492 1HE LYS 59 2HE LYS 59 -24.244 -16.387 0.330 493 2HE LYS 59 1HE LYS 59 -24.178 -17.877 1.293 494 1HZ LYS 59 1HZ LYS 59 -25.480 -16.326 2.511 495 2HZ LYS 59 2HZ LYS 59 -24.339 -15.086 2.296 496 3HZ LYS 59 3HZ LYS 59 -23.977 -16.415 3.291 497 H GLY 60 H GLY 60 -17.967 -20.982 1.021 498 1HA GLY 60 2HA GLY 60 -19.795 -23.090 1.052 499 2HA GLY 60 1HA GLY 60 -19.716 -22.576 -0.639 500 H PHE 61 H PHE 61 -17.948 -23.199 -1.850 501 HA PHE 61 HA PHE 61 -15.338 -23.662 -0.817 502 1HB PHE 61 2HB PHE 61 -15.275 -26.116 -0.782 503 2HB PHE 61 1HB PHE 61 -16.507 -25.539 0.332 504 HD1 PHE 61 HD1 PHE 61 -15.895 -27.159 -2.930 505 HD2 PHE 61 HD2 PHE 61 -18.861 -25.901 -0.098 506 HE1 PHE 61 HE1 PHE 61 -17.607 -28.483 -4.128 507 HE2 PHE 61 HE2 PHE 61 -20.568 -27.239 -1.286 508 HZ PHE 61 HZ PHE 61 -19.945 -28.530 -3.308 509 H ASN 62 H ASN 62 -13.897 -24.659 -2.457 510 HA ASN 62 HA ASN 62 -14.276 -23.652 -5.079 511 1HB ASN 62 2HB ASN 62 -12.381 -25.124 -3.519 512 2HB ASN 62 1HB ASN 62 -12.570 -25.974 -5.050 513 1HD2 ASN 62 1HD2 ASN 62 -10.203 -24.404 -4.203 514 2HD2 ASN 62 2HD2 ASN 62 -10.028 -23.152 -5.335 515 HA PRO 63 HA PRO 63 -16.507 -26.860 -7.170 516 1HB PRO 63 2HB PRO 63 -14.915 -27.942 -9.120 517 2HB PRO 63 1HB PRO 63 -15.620 -26.317 -9.242 518 1HG PRO 63 2HG PRO 63 -12.857 -27.134 -8.515 519 2HG PRO 63 1HG PRO 63 -13.415 -25.740 -9.452 520 1HD PRO 63 2HD PRO 63 -12.624 -25.612 -6.839 521 2HD PRO 63 1HD PRO 63 -13.749 -24.461 -7.590 522 H GLN 64 H GLN 64 -15.821 -27.875 -4.839 523 HA GLN 64 HA GLN 64 -14.940 -30.657 -5.407 524 1HB GLN 64 2HB GLN 64 -13.931 -28.777 -3.257 525 2HB GLN 64 1HB GLN 64 -13.517 -30.490 -3.346 526 1HG GLN 64 2HG GLN 64 -12.699 -30.027 -5.722 527 2HG GLN 64 1HG GLN 64 -12.841 -28.312 -5.331 528 1HE2 GLN 64 1HE2 GLN 64 -11.382 -31.307 -3.924 529 2HE2 GLN 64 2HE2 GLN 64 -9.993 -30.525 -3.339 530 H THR 65 H THR 65 -15.138 -29.967 -2.099 531 HA THR 65 HA THR 65 -18.006 -30.118 -1.734 532 HB THR 65 HB THR 65 -17.433 -32.602 -0.694 533 HG1 THR 65 HG1 THR 65 -15.702 -33.275 -1.634 534 1HG2 THR 65 1HG2 THR 65 -19.076 -33.240 -2.122 535 2HG2 THR 65 2HG2 THR 65 -18.202 -32.652 -3.536 536 3HG2 THR 65 3HG2 THR 65 -19.143 -31.532 -2.551 537 H GLN 66 H GLN 66 -15.318 -28.977 -0.602 538 HA GLN 66 HA GLN 66 -16.202 -28.852 2.136 539 1HB GLN 66 2HB GLN 66 -14.303 -30.182 3.098 540 2HB GLN 66 1HB GLN 66 -15.425 -31.158 2.153 541 1HG GLN 66 2HG GLN 66 -13.097 -29.952 0.722 542 2HG GLN 66 1HG GLN 66 -12.785 -31.323 1.785 543 1HE2 GLN 66 1HE2 GLN 66 -12.901 -31.044 -1.305 544 2HE2 GLN 66 2HE2 GLN 66 -13.927 -32.311 -1.780 545 H GLU 67 H GLU 67 -13.625 -28.308 -0.225 546 HA GLU 67 HA GLU 67 -11.921 -26.680 1.418 547 1HB GLU 67 2HB GLU 67 -11.550 -27.765 -0.901 548 2HB GLU 67 1HB GLU 67 -12.401 -26.362 -1.552 549 1HG GLU 67 2HG GLU 67 -10.288 -25.481 -1.610 550 2HG GLU 67 1HG GLU 67 -10.649 -25.106 0.076 551 H ALA 68 H ALA 68 -13.567 -25.416 2.584 552 HA ALA 68 HA ALA 68 -15.122 -23.439 1.040 553 1HB ALA 68 1HB ALA 68 -14.905 -23.809 4.027 554 2HB ALA 68 2HB ALA 68 -15.894 -24.861 3.017 555 3HB ALA 68 3HB ALA 68 -16.257 -23.139 3.116 556 H LEU 69 H LEU 69 -15.082 -21.173 1.624 557 HA LEU 69 HA LEU 69 -12.491 -20.195 2.769 558 1HB LEU 69 2HB LEU 69 -14.005 -19.182 0.331 559 2HB LEU 69 1HB LEU 69 -12.500 -18.507 0.954 560 HG LEU 69 HG LEU 69 -12.779 -21.395 0.091 561 1HD1 LEU 69 1HD1 LEU 69 -11.339 -19.342 -1.546 562 2HD1 LEU 69 2HD1 LEU 69 -13.095 -19.443 -1.683 563 3HD1 LEU 69 3HD1 LEU 69 -12.098 -20.849 -2.057 564 1HD2 LEU 69 1HD2 LEU 69 -10.583 -19.607 1.053 565 2HD2 LEU 69 2HD2 LEU 69 -10.182 -20.820 -0.163 566 3HD2 LEU 69 3HD2 LEU 69 -10.863 -21.317 1.386 567 H GLU 70 H GLU 70 -13.523 -17.393 2.178 568 HA GLU 70 HA GLU 70 -16.072 -17.060 3.505 569 1HB GLU 70 2HB GLU 70 -14.023 -17.824 5.177 570 2HB GLU 70 1HB GLU 70 -13.962 -16.068 5.317 571 1HG GLU 70 2HG GLU 70 -16.467 -16.116 5.712 572 2HG GLU 70 1HG GLU 70 -16.338 -17.870 5.835 573 H ILE 71 H ILE 71 -14.464 -15.921 1.239 574 HA ILE 71 HA ILE 71 -13.540 -13.283 1.846 575 HB ILE 71 HB ILE 71 -13.827 -12.991 -0.602 576 1HG1 ILE 71 2HG1 ILE 71 -14.707 -15.647 -1.253 577 2HG1 ILE 71 1HG1 ILE 71 -15.907 -14.893 -0.203 578 1HG2 ILE 71 1HG2 ILE 71 -12.041 -14.531 0.599 579 2HG2 ILE 71 2HG2 ILE 71 -12.153 -14.495 -1.161 580 3HG2 ILE 71 3HG2 ILE 71 -12.897 -15.813 -0.256 581 1HD1 ILE 71 1HD1 ILE 71 -14.749 -13.576 -2.676 582 2HD1 ILE 71 2HD1 ILE 71 -16.074 -12.974 -1.679 583 3HD1 ILE 71 3HD1 ILE 71 -16.289 -14.435 -2.642 584 H ALA 72 H ALA 72 -15.097 -11.671 0.075 585 HA ALA 72 HA ALA 72 -17.814 -11.679 1.290 586 1HB ALA 72 1HB ALA 72 -17.442 -9.726 2.409 587 2HB ALA 72 2HB ALA 72 -16.465 -9.056 1.102 588 3HB ALA 72 3HB ALA 72 -15.743 -10.173 2.260 589 HA PRO 73 HA PRO 73 -19.043 -10.594 -2.811 590 1HB PRO 73 2HB PRO 73 -21.411 -9.343 -2.224 591 2HB PRO 73 1HB PRO 73 -21.203 -11.104 -2.160 592 1HG PRO 73 2HG PRO 73 -21.155 -9.114 0.062 593 2HG PRO 73 1HG PRO 73 -21.906 -10.718 0.002 594 1HD PRO 73 2HD PRO 73 -19.544 -10.281 1.243 595 2HD PRO 73 1HD PRO 73 -19.916 -11.814 0.424 596 H SER 74 H SER 74 -17.246 -9.013 -2.976 597 HA SER 74 HA SER 74 -18.191 -6.311 -3.500 598 1HB SER 74 2HB SER 74 -16.637 -5.319 -1.740 599 2HB SER 74 1HB SER 74 -18.060 -6.134 -1.102 600 HG SER 74 HG SER 74 -15.497 -7.316 -1.436 601 H VAL 75 H VAL 75 -16.397 -4.992 -4.467 602 HA VAL 75 HA VAL 75 -14.706 -6.429 -6.202 603 HB VAL 75 HB VAL 75 -15.294 -3.736 -5.557 604 1HG1 VAL 75 1HG1 VAL 75 -12.299 -4.053 -5.813 605 2HG1 VAL 75 2HG1 VAL 75 -13.082 -3.870 -4.246 606 3HG1 VAL 75 3HG1 VAL 75 -13.211 -2.589 -5.448 607 1HG2 VAL 75 1HG2 VAL 75 -14.505 -3.288 -7.750 608 2HG2 VAL 75 2HG2 VAL 75 -15.112 -4.941 -7.800 609 3HG2 VAL 75 3HG2 VAL 75 -13.378 -4.642 -7.704 610 H GLY 76 H GLY 76 -12.239 -6.377 -6.101 611 1HA GLY 76 2HA GLY 76 -11.370 -7.022 -3.309 612 2HA GLY 76 1HA GLY 76 -10.788 -7.898 -4.727 613 H VAL 77 H VAL 77 -10.384 -5.099 -2.772 614 HA VAL 77 HA VAL 77 -8.887 -3.414 -4.497 615 HB VAL 77 HB VAL 77 -9.303 -3.884 -1.593 616 1HG1 VAL 77 1HG1 VAL 77 -7.040 -3.642 -1.172 617 2HG1 VAL 77 2HG1 VAL 77 -7.513 -1.946 -1.246 618 3HG1 VAL 77 3HG1 VAL 77 -6.760 -2.711 -2.644 619 1HG2 VAL 77 1HG2 VAL 77 -10.297 -2.169 -3.413 620 2HG2 VAL 77 2HG2 VAL 77 -8.991 -1.182 -2.758 621 3HG2 VAL 77 3HG2 VAL 77 -10.239 -1.812 -1.691 622 H SER 78 H SER 78 -7.621 -4.879 -5.754 623 HA SER 78 HA SER 78 -5.630 -6.608 -4.510 624 1HB SER 78 2HB SER 78 -6.955 -6.432 -6.921 625 2HB SER 78 1HB SER 78 -5.346 -5.860 -7.347 626 HG SER 78 HG SER 78 -4.639 -7.822 -7.127 627 H VAL 79 H VAL 79 -3.556 -6.014 -6.406 628 HA VAL 79 HA VAL 79 -2.554 -3.346 -6.314 629 HB VAL 79 HB VAL 79 -2.545 -3.745 -3.884 630 1HG1 VAL 79 1HG1 VAL 79 -2.579 -6.074 -3.620 631 2HG1 VAL 79 2HG1 VAL 79 -0.948 -5.650 -3.097 632 3HG1 VAL 79 3HG1 VAL 79 -1.213 -6.313 -4.709 633 1HG2 VAL 79 1HG2 VAL 79 0.313 -4.169 -4.745 634 2HG2 VAL 79 2HG2 VAL 79 -0.303 -3.186 -3.416 635 3HG2 VAL 79 3HG2 VAL 79 -0.525 -2.654 -5.083 636 H LYS 80 H LYS 80 0.068 -3.611 -6.709 637 HA LYS 80 HA LYS 80 0.593 -6.235 -7.917 638 1HB LYS 80 2HB LYS 80 -0.183 -3.851 -9.360 639 2HB LYS 80 1HB LYS 80 1.359 -4.494 -9.933 640 1HG LYS 80 2HG LYS 80 0.421 -6.474 -10.648 641 2HG LYS 80 1HG LYS 80 -0.880 -6.411 -9.458 642 1HD LYS 80 2HD LYS 80 -1.941 -4.568 -10.703 643 2HD LYS 80 1HD LYS 80 -0.640 -4.621 -11.893 644 1HE LYS 80 2HE LYS 80 -1.254 -6.915 -12.516 645 2HE LYS 80 1HE LYS 80 -2.523 -6.927 -11.276 646 1HZ LYS 80 1HZ LYS 80 -3.482 -6.285 -13.376 647 2HZ LYS 80 2HZ LYS 80 -2.322 -5.059 -13.580 648 3HZ LYS 80 3HZ LYS 80 -3.477 -4.941 -12.339 649 HA PRO 81 HA PRO 81 4.708 -4.243 -7.605 650 1HB PRO 81 2HB PRO 81 5.079 -1.716 -8.535 651 2HB PRO 81 1HB PRO 81 4.819 -3.100 -9.615 652 1HG PRO 81 2HG PRO 81 3.062 -0.871 -9.071 653 2HG PRO 81 1HG PRO 81 2.902 -2.138 -10.295 654 1HD PRO 81 2HD PRO 81 1.642 -1.966 -7.627 655 2HD PRO 81 1HD PRO 81 1.177 -2.934 -9.033 656 H GLY 82 H GLY 82 6.125 -2.326 -6.852 657 1HA GLY 82 2HA GLY 82 5.282 -0.389 -5.026 658 2HA GLY 82 1HA GLY 82 5.636 -1.849 -4.107 659 H GLU 83 H GLU 83 7.345 -1.292 -7.130 660 HA GLU 83 HA GLU 83 9.765 -1.435 -7.317 661 1HB GLU 83 2HB GLU 83 9.011 1.038 -7.315 662 2HB GLU 83 1HB GLU 83 9.456 1.058 -5.604 663 1HG GLU 83 2HG GLU 83 11.722 0.477 -6.092 664 2HG GLU 83 1HG GLU 83 11.334 0.144 -7.780 665 H SER 84 H SER 84 8.800 -3.054 -5.499 666 HA SER 84 HA SER 84 8.981 -3.777 -3.217 667 1HB SER 84 2HB SER 84 10.640 -4.704 -5.174 668 2HB SER 84 1HB SER 84 11.795 -4.245 -3.926 669 HG SER 84 HG SER 84 9.737 -6.152 -3.877 670 H LEU 85 H LEU 85 9.237 -0.963 -3.165 671 HA LEU 85 HA LEU 85 10.874 0.660 -2.256 672 1HB LEU 85 2HB LEU 85 10.502 -1.113 0.159 673 2HB LEU 85 1HB LEU 85 10.332 0.629 0.053 674 HG LEU 85 HG LEU 85 8.379 -1.382 -1.102 675 1HD1 LEU 85 1HD1 LEU 85 8.604 -0.754 1.505 676 2HD1 LEU 85 2HD1 LEU 85 7.048 -1.042 0.734 677 3HD1 LEU 85 3HD1 LEU 85 7.622 0.608 0.975 678 1HD2 LEU 85 1HD2 LEU 85 7.380 0.329 -2.206 679 2HD2 LEU 85 2HD2 LEU 85 8.900 1.193 -1.982 680 3HD2 LEU 85 3HD2 LEU 85 7.575 1.433 -0.844 681 H LYS 86 H LYS 86 11.732 -1.589 -3.657 682 HA LYS 86 HA LYS 86 13.911 -3.170 -2.743 683 1HB LYS 86 2HB LYS 86 12.337 -2.621 -5.007 684 2HB LYS 86 1HB LYS 86 13.892 -1.949 -5.476 685 1HG LYS 86 2HG LYS 86 14.959 -4.053 -5.359 686 2HG LYS 86 1HG LYS 86 13.661 -4.749 -4.380 687 1HD LYS 86 2HD LYS 86 12.118 -4.697 -6.226 688 2HD LYS 86 1HD LYS 86 13.218 -3.720 -7.197 689 1HE LYS 86 2HE LYS 86 14.454 -5.539 -7.842 690 2HE LYS 86 1HE LYS 86 14.355 -6.291 -6.237 691 1HZ LYS 86 1HZ LYS 86 12.179 -6.151 -8.257 692 2HZ LYS 86 2HZ LYS 86 11.997 -6.758 -6.681 693 3HZ LYS 86 3HZ LYS 86 13.021 -7.546 -7.785 694 H LYS 87 H LYS 87 13.368 -0.089 -4.107 695 HA LYS 87 HA LYS 87 16.025 1.017 -4.071 696 1HB LYS 87 2HB LYS 87 13.887 1.547 -5.432 697 2HB LYS 87 1HB LYS 87 13.276 2.308 -3.965 698 1HG LYS 87 2HG LYS 87 15.444 3.694 -3.958 699 2HG LYS 87 1HG LYS 87 15.692 3.117 -5.606 700 1HD LYS 87 2HD LYS 87 14.069 4.462 -6.449 701 2HD LYS 87 1HD LYS 87 12.978 4.142 -5.100 702 1HE LYS 87 2HE LYS 87 13.516 6.444 -4.856 703 2HE LYS 87 1HE LYS 87 14.624 5.642 -3.724 704 1HZ LYS 87 1HZ LYS 87 16.346 5.658 -5.333 705 2HZ LYS 87 2HZ LYS 87 15.712 7.234 -5.302 706 3HZ LYS 87 3HZ LYS 87 15.301 6.174 -6.565 707 H ALA 88 H ALA 88 13.180 0.723 -2.002 708 HA ALA 88 HA ALA 88 14.152 2.535 0.081 709 1HB ALA 88 1HB ALA 88 12.144 0.373 0.525 710 2HB ALA 88 2HB ALA 88 11.751 1.651 -0.625 711 3HB ALA 88 3HB ALA 88 12.103 2.048 1.055 712 H ALA 89 H ALA 89 14.697 -0.722 -0.826 713 HA ALA 89 HA ALA 89 15.527 -1.490 1.893 714 1HB ALA 89 1HB ALA 89 15.633 -2.943 -0.759 715 2HB ALA 89 2HB ALA 89 14.285 -3.002 0.377 716 3HB ALA 89 3HB ALA 89 15.850 -3.676 0.829 717 H GLU 90 H GLU 90 16.886 -0.304 -1.072 718 HA GLU 90 HA GLU 90 19.644 -1.051 -0.521 719 1HB GLU 90 2HB GLU 90 18.130 0.794 -2.353 720 2HB GLU 90 1HB GLU 90 19.874 1.007 -2.195 721 1HG GLU 90 2HG GLU 90 19.721 -1.699 -2.495 722 2HG GLU 90 1HG GLU 90 18.350 -1.182 -3.476 723 H GLY 91 H GLY 91 17.482 1.652 0.187 724 1HA GLY 91 2HA GLY 91 19.564 3.297 1.418 725 2HA GLY 91 1HA GLY 91 17.830 3.609 1.477 726 H LEU 92 H LEU 92 17.178 0.909 2.519 727 HA LEU 92 HA LEU 92 17.064 1.277 5.276 728 1HB LEU 92 2HB LEU 92 16.778 -0.792 3.271 729 2HB LEU 92 1HB LEU 92 17.403 -1.466 4.767 730 HG LEU 92 HG LEU 92 14.896 0.083 4.346 731 1HD1 LEU 92 1HD1 LEU 92 13.786 -1.902 4.610 732 2HD1 LEU 92 2HD1 LEU 92 14.987 -2.539 5.733 733 3HD1 LEU 92 3HD1 LEU 92 15.309 -2.547 4.000 734 1HD2 LEU 92 1HD2 LEU 92 14.663 -0.579 6.909 735 2HD2 LEU 92 2HD2 LEU 92 15.541 0.883 6.461 736 3HD2 LEU 92 3HD2 LEU 92 16.425 -0.594 6.847 737 H LYS 93 H LYS 93 19.936 0.695 3.471 738 HA LYS 93 HA LYS 93 22.132 0.123 4.182 739 1HB LYS 93 2HB LYS 93 20.826 1.428 6.364 740 2HB LYS 93 1HB LYS 93 21.627 0.009 7.040 741 1HG LYS 93 2HG LYS 93 23.554 0.986 5.339 742 2HG LYS 93 1HG LYS 93 22.796 2.469 5.918 743 1HD LYS 93 2HD LYS 93 22.994 1.046 8.244 744 2HD LYS 93 1HD LYS 93 24.434 0.494 7.385 745 1HE LYS 93 2HE LYS 93 23.703 3.418 7.790 746 2HE LYS 93 1HE LYS 93 24.898 2.530 8.757 747 1HZ LYS 93 1HZ LYS 93 26.010 3.609 6.930 748 2HZ LYS 93 2HZ LYS 93 24.940 2.911 5.808 749 3HZ LYS 93 3HZ LYS 93 26.029 1.933 6.672 750 H TYR 94 H TYR 94 20.037 -1.663 3.548 751 HA TYR 94 HA TYR 94 19.235 -3.782 4.976 752 1HB TYR 94 2HB TYR 94 18.912 -3.591 2.608 753 2HB TYR 94 1HB TYR 94 20.645 -3.734 2.302 754 HD1 TYR 94 HD1 TYR 94 17.817 -5.562 3.931 755 HD2 TYR 94 HD2 TYR 94 21.548 -5.790 1.834 756 HE1 TYR 94 HE1 TYR 94 17.650 -8.053 3.890 757 HE2 TYR 94 HE2 TYR 94 21.378 -8.280 1.791 758 HH TYR 94 HH TYR 94 20.175 -10.054 3.277 759 H GLU 95 H GLU 95 22.608 -3.486 3.809 760 HA GLU 95 HA GLU 95 23.609 -5.949 4.763 761 1HB GLU 95 2HB GLU 95 25.787 -4.752 4.770 762 2HB GLU 95 1HB GLU 95 24.842 -4.390 3.326 763 1HG GLU 95 2HG GLU 95 23.953 -2.357 4.675 764 2HG GLU 95 1HG GLU 95 25.332 -2.647 5.736 765 H ASP 96 H ASP 96 23.218 -2.858 6.471 766 HA ASP 96 HA ASP 96 24.386 -3.674 8.968 767 1HB ASP 96 2HB ASP 96 23.661 -1.343 8.012 768 2HB ASP 96 1HB ASP 96 22.076 -1.751 8.672 769 H PHE 97 H PHE 97 21.186 -3.989 7.524 770 HA PHE 97 HA PHE 97 19.950 -5.114 9.943 771 1HB PHE 97 2HB PHE 97 19.206 -4.047 7.373 772 2HB PHE 97 1HB PHE 97 18.483 -5.643 7.548 773 HD1 PHE 97 HD1 PHE 97 19.217 -2.869 9.973 774 HD2 PHE 97 HD2 PHE 97 16.270 -5.465 8.236 775 HE1 PHE 97 HE1 PHE 97 17.492 -1.923 11.483 776 HE2 PHE 97 HE2 PHE 97 14.546 -4.521 9.745 777 HZ PHE 97 HZ PHE 97 15.157 -2.749 11.371 778 H ALA 98 H ALA 98 21.822 -6.249 7.262 779 HA ALA 98 HA ALA 98 20.835 -8.992 7.230 780 1HB ALA 98 1HB ALA 98 22.935 -9.250 5.815 781 2HB ALA 98 2HB ALA 98 23.275 -7.552 6.150 782 3HB ALA 98 3HB ALA 98 21.821 -8.001 5.259 783 H LYS 99 H LYS 99 23.447 -7.239 8.837 784 HA LYS 99 HA LYS 99 24.844 -9.581 9.824 785 1HB LYS 99 2HB LYS 99 24.772 -6.635 10.505 786 2HB LYS 99 1HB LYS 99 25.828 -7.761 11.358 787 1HG LYS 99 2HG LYS 99 27.306 -7.743 9.661 788 2HG LYS 99 1HG LYS 99 26.048 -8.189 8.510 789 1HD LYS 99 2HD LYS 99 26.383 -6.125 7.630 790 2HD LYS 99 1HD LYS 99 25.455 -5.545 9.012 791 1HE LYS 99 2HE LYS 99 27.348 -4.280 9.372 792 2HE LYS 99 1HE LYS 99 27.927 -5.769 10.146 793 1HZ LYS 99 1HZ LYS 99 28.805 -6.502 8.025 794 2HZ LYS 99 2HZ LYS 99 29.476 -4.998 8.439 795 3HZ LYS 99 3HZ LYS 99 28.246 -5.091 7.270 796 1H MET 1 1H MET 1 -5.535 6.455 -11.140 797 2H MET 1 2H MET 1 -6.648 6.611 -9.866 798 3H MET 1 3H MET 1 -5.196 5.761 -9.629 799 HA MET 1 HA MET 1 -5.330 8.664 -10.265 800 1HB MET 1 2HB MET 1 -5.642 7.050 -7.801 801 2HB MET 1 1HB MET 1 -4.533 8.413 -7.665 802 1HG MET 1 2HG MET 1 -6.189 9.975 -7.970 803 2HG MET 1 1HG MET 1 -7.124 8.928 -9.038 804 1HE MET 1 1HE MET 1 -7.184 10.283 -5.192 805 2HE MET 1 2HE MET 1 -5.687 9.592 -5.810 806 3HE MET 1 3HE MET 1 -6.598 8.733 -4.572 807 H ASN 2 H ASN 2 -3.113 9.298 -8.689 808 HA ASN 2 HA ASN 2 -0.865 7.544 -8.989 809 1HB ASN 2 2HB ASN 2 -1.659 8.266 -11.402 810 2HB ASN 2 1HB ASN 2 -0.816 9.763 -11.008 811 1HD2 ASN 2 1HD2 ASN 2 0.905 9.326 -12.568 812 2HD2 ASN 2 2HD2 ASN 2 2.063 8.118 -12.286 813 H LYS 3 H LYS 3 1.279 8.959 -8.935 814 HA LYS 3 HA LYS 3 1.360 10.502 -6.594 815 1HB LYS 3 2HB LYS 3 3.180 9.571 -8.310 816 2HB LYS 3 1HB LYS 3 3.136 11.233 -8.895 817 1HG LYS 3 2HG LYS 3 4.552 11.762 -7.214 818 2HG LYS 3 1HG LYS 3 3.216 11.479 -6.104 819 1HD LYS 3 2HD LYS 3 4.127 9.563 -5.326 820 2HD LYS 3 1HD LYS 3 4.468 8.980 -6.948 821 1HE LYS 3 2HE LYS 3 6.213 10.741 -5.188 822 2HE LYS 3 1HE LYS 3 6.631 9.202 -5.952 823 1HZ LYS 3 1HZ LYS 3 5.912 10.619 -8.090 824 2HZ LYS 3 2HZ LYS 3 7.508 10.547 -7.518 825 3HZ LYS 3 3HZ LYS 3 6.520 11.867 -7.117 826 H THR 4 H THR 4 0.129 11.432 -9.713 827 HA THR 4 HA THR 4 0.088 14.324 -8.932 828 HB THR 4 HB THR 4 -0.454 12.860 -11.541 829 HG1 THR 4 HG1 THR 4 1.530 13.754 -12.126 830 1HG2 THR 4 1HG2 THR 4 -1.716 14.801 -11.774 831 2HG2 THR 4 2HG2 THR 4 -0.146 15.341 -12.368 832 3HG2 THR 4 3HG2 THR 4 -0.652 15.739 -10.726 833 H GLU 5 H GLU 5 -1.975 11.633 -9.994 834 HA GLU 5 HA GLU 5 -4.473 13.054 -9.841 835 1HB GLU 5 2HB GLU 5 -3.459 10.418 -10.383 836 2HB GLU 5 1HB GLU 5 -4.795 10.280 -9.244 837 1HG GLU 5 2HG GLU 5 -5.308 12.181 -11.429 838 2HG GLU 5 1HG GLU 5 -5.068 10.523 -11.978 839 H LEU 6 H LEU 6 -2.807 10.861 -7.554 840 HA LEU 6 HA LEU 6 -4.643 11.172 -5.374 841 1HB LEU 6 2HB LEU 6 -1.783 10.364 -5.780 842 2HB LEU 6 1HB LEU 6 -2.310 10.697 -4.132 843 HG LEU 6 HG LEU 6 -3.886 8.872 -5.941 844 1HD1 LEU 6 1HD1 LEU 6 -1.274 8.409 -4.684 845 2HD1 LEU 6 2HD1 LEU 6 -2.115 7.458 -5.907 846 3HD1 LEU 6 3HD1 LEU 6 -2.494 7.231 -4.200 847 1HD2 LEU 6 1HD2 LEU 6 -4.813 9.853 -3.771 848 2HD2 LEU 6 2HD2 LEU 6 -3.591 8.902 -2.928 849 3HD2 LEU 6 3HD2 LEU 6 -4.833 8.093 -3.881 850 H ILE 7 H ILE 7 -1.914 13.090 -6.522 851 HA ILE 7 HA ILE 7 -1.529 14.838 -4.335 852 HB ILE 7 HB ILE 7 -1.128 14.794 -7.266 853 1HG1 ILE 7 2HG1 ILE 7 0.477 15.837 -4.930 854 2HG1 ILE 7 1HG1 ILE 7 0.629 14.244 -5.652 855 1HG2 ILE 7 1HG2 ILE 7 -2.049 16.900 -7.490 856 2HG2 ILE 7 2HG2 ILE 7 -0.423 17.350 -6.981 857 3HG2 ILE 7 3HG2 ILE 7 -1.738 17.329 -5.811 858 1HD1 ILE 7 1HD1 ILE 7 2.329 15.334 -6.780 859 2HD1 ILE 7 2HD1 ILE 7 1.504 16.892 -6.722 860 3HD1 ILE 7 3HD1 ILE 7 0.987 15.664 -7.874 861 H LYS 8 H LYS 8 -3.660 15.237 -7.152 862 HA LYS 8 HA LYS 8 -5.111 17.490 -6.204 863 1HB LYS 8 2HB LYS 8 -5.918 17.206 -8.304 864 2HB LYS 8 1HB LYS 8 -5.107 15.646 -8.394 865 1HG LYS 8 2HG LYS 8 -7.068 14.583 -7.302 866 2HG LYS 8 1HG LYS 8 -7.883 16.147 -7.278 867 1HD LYS 8 2HD LYS 8 -8.690 15.014 -9.225 868 2HD LYS 8 1HD LYS 8 -7.539 16.220 -9.805 869 1HE LYS 8 2HE LYS 8 -5.835 14.578 -10.148 870 2HE LYS 8 1HE LYS 8 -6.730 13.356 -9.224 871 1HZ LYS 8 1HZ LYS 8 -8.442 13.321 -10.838 872 2HZ LYS 8 2HZ LYS 8 -6.984 13.196 -11.701 873 3HZ LYS 8 3HZ LYS 8 -7.819 14.674 -11.647 874 H ALA 9 H ALA 9 -5.422 14.016 -5.534 875 HA ALA 9 HA ALA 9 -8.002 13.975 -4.333 876 1HB ALA 9 1HB ALA 9 -6.121 12.172 -4.826 877 2HB ALA 9 2HB ALA 9 -7.283 11.907 -3.527 878 3HB ALA 9 3HB ALA 9 -5.665 12.504 -3.156 879 H ILE 10 H ILE 10 -4.832 14.982 -3.053 880 HA ILE 10 HA ILE 10 -6.048 15.668 -0.441 881 HB ILE 10 HB ILE 10 -3.342 15.283 -1.674 882 1HG1 ILE 10 2HG1 ILE 10 -2.951 14.174 0.544 883 2HG1 ILE 10 1HG1 ILE 10 -4.606 14.592 0.991 884 1HG2 ILE 10 1HG2 ILE 10 -2.710 17.342 -0.852 885 2HG2 ILE 10 2HG2 ILE 10 -2.494 16.375 0.607 886 3HG2 ILE 10 3HG2 ILE 10 -3.953 17.343 0.400 887 1HD1 ILE 10 1HD1 ILE 10 -3.835 12.939 -1.431 888 2HD1 ILE 10 2HD1 ILE 10 -5.476 13.305 -0.900 889 3HD1 ILE 10 3HD1 ILE 10 -4.437 12.279 0.089 890 H ALA 11 H ALA 11 -4.722 17.049 -3.386 891 HA ALA 11 HA ALA 11 -4.720 19.805 -2.491 892 1HB ALA 11 1HB ALA 11 -5.229 19.226 -5.348 893 2HB ALA 11 2HB ALA 11 -3.880 18.310 -4.679 894 3HB ALA 11 3HB ALA 11 -3.869 20.071 -4.610 895 H GLN 12 H GLN 12 -7.179 17.545 -3.238 896 HA GLN 12 HA GLN 12 -9.200 19.694 -3.670 897 1HB GLN 12 2HB GLN 12 -9.143 18.047 -5.444 898 2HB GLN 12 1HB GLN 12 -9.080 16.723 -4.284 899 1HG GLN 12 2HG GLN 12 -11.336 16.894 -5.189 900 2HG GLN 12 1HG GLN 12 -11.352 17.353 -3.486 901 1HE2 GLN 12 1HE2 GLN 12 -11.917 18.503 -6.737 902 2HE2 GLN 12 2HE2 GLN 12 -12.364 20.085 -6.313 903 H ASP 13 H ASP 13 -8.500 16.711 -1.806 904 HA ASP 13 HA ASP 13 -10.811 16.926 -0.061 905 1HB ASP 13 2HB ASP 13 -8.076 15.629 0.058 906 2HB ASP 13 1HB ASP 13 -9.175 15.544 1.434 907 H THR 14 H THR 14 -7.782 18.476 -0.404 908 HA THR 14 HA THR 14 -8.137 20.012 2.129 909 HB THR 14 HB THR 14 -5.463 19.885 0.982 910 HG1 THR 14 HG1 THR 14 -5.352 17.594 1.745 911 1HG2 THR 14 1HG2 THR 14 -6.332 18.690 3.565 912 2HG2 THR 14 2HG2 THR 14 -6.481 20.434 3.346 913 3HG2 THR 14 3HG2 THR 14 -4.909 19.656 3.199 914 H GLY 15 H GLY 15 -5.936 20.546 -0.621 915 1HA GLY 15 2HA GLY 15 -5.833 22.292 -2.192 916 2HA GLY 15 1HA GLY 15 -7.539 22.595 -1.872 917 H LEU 16 H LEU 16 -6.707 22.785 1.074 918 HA LEU 16 HA LEU 16 -6.905 25.354 1.778 919 1HB LEU 16 2HB LEU 16 -4.486 24.576 3.094 920 2HB LEU 16 1HB LEU 16 -6.117 24.634 3.748 921 HG LEU 16 HG LEU 16 -6.526 22.400 2.741 922 1HD1 LEU 16 1HD1 LEU 16 -4.714 22.541 1.013 923 2HD1 LEU 16 2HD1 LEU 16 -4.581 21.091 1.986 924 3HD1 LEU 16 3HD1 LEU 16 -3.520 22.456 2.301 925 1HD2 LEU 16 1HD2 LEU 16 -5.959 22.534 5.100 926 2HD2 LEU 16 2HD2 LEU 16 -4.246 22.713 4.721 927 3HD2 LEU 16 3HD2 LEU 16 -5.059 21.182 4.422 928 H THR 17 H THR 17 -3.663 24.169 1.130 929 HA THR 17 HA THR 17 -2.945 26.794 -0.092 930 HB THR 17 HB THR 17 -2.208 25.748 2.386 931 HG1 THR 17 HG1 THR 17 -0.913 27.590 0.664 932 1HG2 THR 17 1HG2 THR 17 -0.068 25.146 0.343 933 2HG2 THR 17 2HG2 THR 17 -0.818 24.045 1.496 934 3HG2 THR 17 3HG2 THR 17 0.255 25.318 2.062 935 H GLN 18 H GLN 18 -3.308 23.506 -0.552 936 HA GLN 18 HA GLN 18 -2.439 21.994 -2.128 937 1HB GLN 18 2HB GLN 18 -1.198 24.432 -3.433 938 2HB GLN 18 1HB GLN 18 -1.808 22.977 -4.220 939 1HG GLN 18 2HG GLN 18 -4.072 23.772 -3.012 940 2HG GLN 18 1HG GLN 18 -3.295 25.345 -3.198 941 1HE2 GLN 18 1HE2 GLN 18 -1.909 24.854 -5.671 942 2HE2 GLN 18 2HE2 GLN 18 -3.066 24.663 -6.899 943 H VAL 19 H VAL 19 -1.062 22.921 0.261 944 HA VAL 19 HA VAL 19 1.269 23.424 0.946 945 HB VAL 19 HB VAL 19 0.431 21.613 2.130 946 1HG1 VAL 19 1HG1 VAL 19 0.254 20.154 -0.493 947 2HG1 VAL 19 2HG1 VAL 19 -1.054 20.630 0.590 948 3HG1 VAL 19 3HG1 VAL 19 0.049 19.338 1.055 949 1HG2 VAL 19 1HG2 VAL 19 3.020 21.025 0.956 950 2HG2 VAL 19 2HG2 VAL 19 2.137 19.547 1.311 951 3HG2 VAL 19 3HG2 VAL 19 2.434 20.719 2.588 952 H SER 20 H SER 20 2.122 20.531 -0.657 953 HA SER 20 HA SER 20 3.582 21.973 -2.760 954 1HB SER 20 2HB SER 20 5.621 21.170 -2.002 955 2HB SER 20 1HB SER 20 4.779 21.269 -0.466 956 HG SER 20 HG SER 20 4.883 19.002 -2.133 957 H VAL 21 H VAL 21 1.124 20.230 -2.370 958 HA VAL 21 HA VAL 21 0.611 17.834 -2.907 959 HB VAL 21 HB VAL 21 -0.544 18.378 -5.022 960 1HG1 VAL 21 1HG1 VAL 21 -1.967 20.040 -4.105 961 2HG1 VAL 21 2HG1 VAL 21 -0.651 20.757 -3.178 962 3HG1 VAL 21 3HG1 VAL 21 -1.301 19.185 -2.715 963 1HG2 VAL 21 1HG2 VAL 21 1.219 20.828 -4.874 964 2HG2 VAL 21 2HG2 VAL 21 -0.244 20.766 -5.856 965 3HG2 VAL 21 3HG2 VAL 21 1.096 19.671 -6.200 966 H SER 22 H SER 22 2.763 19.518 -5.038 967 HA SER 22 HA SER 22 3.483 17.117 -6.586 968 1HB SER 22 2HB SER 22 5.235 18.761 -7.471 969 2HB SER 22 1HB SER 22 3.554 19.248 -7.671 970 HG SER 22 HG SER 22 5.524 20.212 -5.930 971 H LYS 23 H LYS 23 4.937 18.973 -3.945 972 HA LYS 23 HA LYS 23 7.305 17.231 -3.893 973 1HB LYS 23 2HB LYS 23 6.453 19.831 -2.934 974 2HB LYS 23 1HB LYS 23 7.265 18.923 -1.662 975 1HG LYS 23 2HG LYS 23 9.123 18.459 -3.306 976 2HG LYS 23 1HG LYS 23 8.336 19.579 -4.416 977 1HD LYS 23 2HD LYS 23 9.613 20.161 -1.748 978 2HD LYS 23 1HD LYS 23 9.903 20.942 -3.301 979 1HE LYS 23 2HE LYS 23 7.324 21.591 -3.076 980 2HE LYS 23 1HE LYS 23 7.674 21.392 -1.348 981 1HZ LYS 23 1HZ LYS 23 9.568 22.847 -1.570 982 2HZ LYS 23 2HZ LYS 23 8.185 23.650 -2.141 983 3HZ LYS 23 3HZ LYS 23 9.309 23.004 -3.239 984 H MET 24 H MET 24 4.274 17.620 -1.999 985 HA MET 24 HA MET 24 5.273 15.951 0.154 986 1HB MET 24 2HB MET 24 2.497 15.740 0.222 987 2HB MET 24 1HB MET 24 3.469 16.904 1.104 988 1HG MET 24 2HG MET 24 2.792 18.639 -0.207 989 2HG MET 24 1HG MET 24 2.862 17.680 -1.684 990 1HE MET 24 1HE MET 24 1.806 15.745 -1.915 991 2HE MET 24 2HE MET 24 0.129 15.990 -2.393 992 3HE MET 24 3HE MET 24 0.499 15.090 -0.924 993 H LEU 25 H LEU 25 3.446 15.338 -2.879 994 HA LEU 25 HA LEU 25 3.217 12.486 -2.192 995 1HB LEU 25 2HB LEU 25 2.654 14.196 -4.616 996 2HB LEU 25 1HB LEU 25 2.501 12.443 -4.675 997 HG LEU 25 HG LEU 25 0.719 14.430 -3.471 998 1HD1 LEU 25 1HD1 LEU 25 0.400 12.419 -5.191 999 2HD1 LEU 25 2HD1 LEU 25 -0.904 12.905 -4.108 1000 3HD1 LEU 25 3HD1 LEU 25 0.099 11.513 -3.710 1001 1HD2 LEU 25 1HD2 LEU 25 1.398 11.946 -1.857 1002 2HD2 LEU 25 2HD2 LEU 25 0.073 13.059 -1.520 1003 3HD2 LEU 25 3HD2 LEU 25 1.742 13.607 -1.368 1004 H ALA 26 H ALA 26 5.325 14.583 -4.107 1005 HA ALA 26 HA ALA 26 6.910 12.472 -5.295 1006 1HB ALA 26 1HB ALA 26 7.426 15.377 -4.577 1007 2HB ALA 26 2HB ALA 26 6.980 14.740 -6.159 1008 3HB ALA 26 3HB ALA 26 8.572 14.394 -5.486 1009 H SER 27 H SER 27 6.902 14.240 -2.250 1010 HA SER 27 HA SER 27 9.369 12.984 -1.265 1011 1HB SER 27 2HB SER 27 8.891 14.286 0.721 1012 2HB SER 27 1HB SER 27 8.557 15.302 -0.675 1013 HG SER 27 HG SER 27 6.909 15.186 1.058 1014 H PHE 28 H PHE 28 5.906 12.478 -1.180 1015 HA PHE 28 HA PHE 28 5.699 10.671 1.026 1016 1HB PHE 28 2HB PHE 28 3.674 11.421 0.165 1017 2HB PHE 28 1HB PHE 28 4.241 11.328 -1.493 1018 HD1 PHE 28 HD1 PHE 28 2.521 9.588 1.192 1019 HD2 PHE 28 HD2 PHE 28 4.392 9.077 -2.641 1020 HE1 PHE 28 HE1 PHE 28 1.299 7.483 0.874 1021 HE2 PHE 28 HE2 PHE 28 3.179 6.970 -2.949 1022 HZ PHE 28 HZ PHE 28 1.628 6.149 -1.189 1023 H GLU 29 H GLU 29 6.259 10.018 -2.469 1024 HA GLU 29 HA GLU 29 6.778 7.214 -2.035 1025 1HB GLU 29 2HB GLU 29 6.263 8.131 -4.250 1026 2HB GLU 29 1HB GLU 29 7.681 9.182 -4.167 1027 1HG GLU 29 2HG GLU 29 8.607 6.581 -3.585 1028 2HG GLU 29 1HG GLU 29 7.529 6.419 -4.963 1029 H LYS 30 H LYS 30 8.595 10.214 -1.856 1030 HA LYS 30 HA LYS 30 11.214 9.022 -1.620 1031 1HB LYS 30 2HB LYS 30 10.416 11.470 -2.151 1032 2HB LYS 30 1HB LYS 30 10.403 11.645 -0.394 1033 1HG LYS 30 2HG LYS 30 12.703 11.290 -0.204 1034 2HG LYS 30 1HG LYS 30 12.799 10.446 -1.750 1035 1HD LYS 30 2HD LYS 30 11.882 13.273 -1.853 1036 2HD LYS 30 1HD LYS 30 13.578 13.015 -1.443 1037 1HE LYS 30 2HE LYS 30 13.949 11.747 -3.480 1038 2HE LYS 30 1HE LYS 30 12.216 11.775 -3.860 1039 1HZ LYS 30 1HZ LYS 30 12.251 14.123 -4.053 1040 2HZ LYS 30 2HZ LYS 30 13.558 13.553 -4.976 1041 3HZ LYS 30 3HZ LYS 30 13.829 14.230 -3.442 1042 H ILE 31 H ILE 31 8.520 9.478 0.574 1043 HA ILE 31 HA ILE 31 10.322 8.811 2.846 1044 HB ILE 31 HB ILE 31 8.222 9.303 4.151 1045 1HG1 ILE 31 2HG1 ILE 31 7.104 11.060 2.198 1046 2HG1 ILE 31 1HG1 ILE 31 7.089 9.401 1.615 1047 1HG2 ILE 31 1HG2 ILE 31 9.864 10.944 4.285 1048 2HG2 ILE 31 2HG2 ILE 31 8.512 11.851 3.605 1049 3HG2 ILE 31 3HG2 ILE 31 9.802 11.268 2.552 1050 1HD1 ILE 31 1HD1 ILE 31 5.310 10.522 3.458 1051 2HD1 ILE 31 2HD1 ILE 31 6.374 9.487 4.410 1052 3HD1 ILE 31 3HD1 ILE 31 5.476 8.814 3.051 1053 H ILE 32 H ILE 32 7.731 7.671 0.881 1054 HA ILE 32 HA ILE 32 7.022 5.313 2.376 1055 HB ILE 32 HB ILE 32 6.990 5.871 -0.597 1056 1HG1 ILE 32 2HG1 ILE 32 5.617 7.235 1.376 1057 2HG1 ILE 32 1HG1 ILE 32 5.069 7.080 -0.290 1058 1HG2 ILE 32 1HG2 ILE 32 6.685 3.560 -0.411 1059 2HG2 ILE 32 2HG2 ILE 32 5.025 4.152 -0.372 1060 3HG2 ILE 32 3HG2 ILE 32 5.832 3.693 1.126 1061 1HD1 ILE 32 1HD1 ILE 32 3.396 6.453 1.561 1062 2HD1 ILE 32 2HD1 ILE 32 4.384 5.013 1.802 1063 3HD1 ILE 32 3HD1 ILE 32 3.603 5.297 0.245 1064 H THR 33 H THR 33 8.966 5.653 -0.554 1065 HA THR 33 HA THR 33 10.180 3.074 -0.129 1066 HB THR 33 HB THR 33 9.728 4.820 -2.221 1067 HG1 THR 33 HG1 THR 33 10.476 3.148 -3.406 1068 1HG2 THR 33 1HG2 THR 33 11.771 6.049 -1.631 1069 2HG2 THR 33 2HG2 THR 33 11.898 5.264 -3.205 1070 3HG2 THR 33 3HG2 THR 33 12.696 4.557 -1.799 1071 H GLU 34 H GLU 34 10.977 6.419 0.663 1072 HA GLU 34 HA GLU 34 13.763 5.773 1.293 1073 1HB GLU 34 2HB GLU 34 11.944 8.124 1.819 1074 2HB GLU 34 1HB GLU 34 13.665 8.125 2.181 1075 1HG GLU 34 2HG GLU 34 12.490 7.595 -0.581 1076 2HG GLU 34 1HG GLU 34 13.194 9.132 -0.075 1077 H THR 35 H THR 35 10.656 5.809 3.072 1078 HA THR 35 HA THR 35 11.939 5.749 5.713 1079 HB THR 35 HB THR 35 9.184 5.042 4.669 1080 HG1 THR 35 HG1 THR 35 9.791 7.255 4.907 1081 1HG2 THR 35 1HG2 THR 35 10.490 4.366 7.228 1082 2HG2 THR 35 2HG2 THR 35 9.081 3.640 6.461 1083 3HG2 THR 35 3HG2 THR 35 8.911 5.128 7.388 1084 H VAL 36 H VAL 36 10.502 3.246 3.578 1085 HA VAL 36 HA VAL 36 11.157 1.062 5.266 1086 HB VAL 36 HB VAL 36 11.068 1.469 2.271 1087 1HG1 VAL 36 1HG1 VAL 36 12.104 -0.908 3.784 1088 2HG1 VAL 36 2HG1 VAL 36 12.701 -0.204 2.284 1089 3HG1 VAL 36 3HG1 VAL 36 11.218 -1.158 2.280 1090 1HG2 VAL 36 1HG2 VAL 36 9.422 -0.635 3.301 1091 2HG2 VAL 36 2HG2 VAL 36 8.918 0.906 2.611 1092 3HG2 VAL 36 3HG2 VAL 36 9.233 0.776 4.340 1093 H ALA 37 H ALA 37 13.161 2.763 2.813 1094 HA ALA 37 HA ALA 37 15.608 1.370 3.500 1095 1HB ALA 37 1HB ALA 37 16.170 2.357 1.563 1096 2HB ALA 37 2HB ALA 37 16.098 3.934 2.347 1097 3HB ALA 37 3HB ALA 37 14.655 3.256 1.599 1098 H LYS 38 H LYS 38 13.865 3.278 5.399 1099 HA LYS 38 HA LYS 38 16.212 4.615 6.677 1100 1HB LYS 38 2HB LYS 38 13.776 5.644 5.907 1101 2HB LYS 38 1HB LYS 38 13.469 5.235 7.592 1102 1HG LYS 38 2HG LYS 38 14.570 7.093 8.222 1103 2HG LYS 38 1HG LYS 38 16.038 6.452 7.487 1104 1HD LYS 38 2HD LYS 38 13.891 7.982 5.988 1105 2HD LYS 38 1HD LYS 38 15.403 8.683 6.566 1106 1HE LYS 38 2HE LYS 38 15.717 6.201 4.975 1107 2HE LYS 38 1HE LYS 38 15.121 7.610 4.075 1108 1HZ LYS 38 1HZ LYS 38 17.532 7.636 4.166 1109 2HZ LYS 38 2HZ LYS 38 17.497 7.556 5.862 1110 3HZ LYS 38 3HZ LYS 38 16.903 8.932 5.062 1111 H GLY 39 H GLY 39 13.452 2.491 7.077 1112 1HA GLY 39 2HA GLY 39 13.952 0.513 8.490 1113 2HA GLY 39 1HA GLY 39 14.634 1.637 9.660 1114 H ASP 40 H ASP 40 11.598 2.256 7.900 1115 HA ASP 40 HA ASP 40 10.184 1.810 10.524 1116 1HB ASP 40 2HB ASP 40 10.610 4.205 9.044 1117 2HB ASP 40 1HB ASP 40 8.892 3.816 8.927 1118 H LYS 41 H LYS 41 8.104 0.917 10.386 1119 HA LYS 41 HA LYS 41 7.502 -0.546 7.899 1120 1HB LYS 41 2HB LYS 41 6.495 -0.507 10.747 1121 2HB LYS 41 1HB LYS 41 5.675 -1.448 9.502 1122 1HG LYS 41 2HG LYS 41 7.389 -2.963 9.323 1123 2HG LYS 41 1HG LYS 41 8.629 -1.755 9.662 1124 1HD LYS 41 2HD LYS 41 6.748 -2.421 11.875 1125 2HD LYS 41 1HD LYS 41 7.953 -3.637 11.452 1126 1HE LYS 41 2HE LYS 41 8.938 -0.831 11.683 1127 2HE LYS 41 1HE LYS 41 8.496 -1.653 13.194 1128 1HZ LYS 41 1HZ LYS 41 10.828 -2.071 12.408 1129 2HZ LYS 41 2HZ LYS 41 10.164 -2.914 11.091 1130 3HZ LYS 41 3HZ LYS 41 9.901 -3.466 12.676 1131 H VAL 42 H VAL 42 6.756 1.152 6.526 1132 HA VAL 42 HA VAL 42 4.776 3.105 7.229 1133 HB VAL 42 HB VAL 42 5.505 1.826 4.572 1134 1HG1 VAL 42 1HG1 VAL 42 4.754 4.278 3.878 1135 2HG1 VAL 42 2HG1 VAL 42 3.787 4.155 5.348 1136 3HG1 VAL 42 3HG1 VAL 42 3.565 2.987 4.044 1137 1HG2 VAL 42 1HG2 VAL 42 6.456 4.532 5.334 1138 2HG2 VAL 42 2HG2 VAL 42 7.302 3.242 4.480 1139 3HG2 VAL 42 3HG2 VAL 42 7.165 3.194 6.237 1140 H GLN 43 H GLN 43 2.505 3.118 6.726 1141 HA GLN 43 HA GLN 43 1.151 0.734 5.712 1142 1HB GLN 43 2HB GLN 43 -0.005 0.287 7.892 1143 2HB GLN 43 1HB GLN 43 1.730 -0.013 7.966 1144 1HG GLN 43 2HG GLN 43 2.063 1.639 9.477 1145 2HG GLN 43 1HG GLN 43 1.005 2.756 8.615 1146 1HE2 GLN 43 1HE2 GLN 43 0.963 0.015 10.921 1147 2HE2 GLN 43 2HE2 GLN 43 -0.556 0.387 11.581 1148 H LEU 44 H LEU 44 -1.252 1.079 5.739 1149 HA LEU 44 HA LEU 44 -1.958 3.994 5.978 1150 1HB LEU 44 2HB LEU 44 -3.065 2.027 3.956 1151 2HB LEU 44 1HB LEU 44 -3.213 3.777 3.936 1152 HG LEU 44 HG LEU 44 -0.697 2.154 3.476 1153 1HD1 LEU 44 1HD1 LEU 44 -0.755 3.547 1.331 1154 2HD1 LEU 44 2HD1 LEU 44 -2.395 4.003 1.784 1155 3HD1 LEU 44 3HD1 LEU 44 -2.003 2.317 1.476 1156 1HD2 LEU 44 1HD2 LEU 44 -1.038 4.858 4.503 1157 2HD2 LEU 44 2HD2 LEU 44 -0.172 4.858 2.967 1158 3HD2 LEU 44 3HD2 LEU 44 0.439 3.912 4.322 1159 H THR 45 H THR 45 -3.453 4.211 7.586 1160 HA THR 45 HA THR 45 -5.007 3.474 9.254 1161 HB THR 45 HB THR 45 -6.495 4.581 7.865 1162 HG1 THR 45 HG1 THR 45 -7.584 2.834 8.873 1163 1HG2 THR 45 1HG2 THR 45 -7.074 3.771 5.555 1164 2HG2 THR 45 2HG2 THR 45 -5.851 2.517 5.749 1165 3HG2 THR 45 3HG2 THR 45 -5.382 4.211 5.764 1166 H GLY 46 H GLY 46 -6.438 1.273 6.930 1167 1HA GLY 46 2HA GLY 46 -5.229 -1.051 8.297 1168 2HA GLY 46 1HA GLY 46 -6.983 -0.888 8.355 1169 H PHE 47 H PHE 47 -5.273 0.208 5.485 1170 HA PHE 47 HA PHE 47 -6.265 -2.248 4.099 1171 1HB PHE 47 2HB PHE 47 -6.970 -0.911 2.259 1172 2HB PHE 47 1HB PHE 47 -7.588 -0.147 3.715 1173 HD1 PHE 47 HD1 PHE 47 -4.724 -0.015 1.299 1174 HD2 PHE 47 HD2 PHE 47 -7.139 2.109 4.142 1175 HE1 PHE 47 HE1 PHE 47 -3.639 2.101 0.650 1176 HE2 PHE 47 HE2 PHE 47 -6.052 4.210 3.492 1177 HZ PHE 47 HZ PHE 47 -4.288 4.209 1.760 1178 H LEU 48 H LEU 48 -3.531 -0.104 4.524 1179 HA LEU 48 HA LEU 48 -2.095 -1.914 2.633 1180 1HB LEU 48 2HB LEU 48 -2.329 0.996 2.694 1181 2HB LEU 48 1HB LEU 48 -0.674 0.425 2.526 1182 HG LEU 48 HG LEU 48 -2.967 0.195 0.639 1183 1HD1 LEU 48 1HD1 LEU 48 -0.102 0.887 0.653 1184 2HD1 LEU 48 2HD1 LEU 48 -1.423 1.554 -0.307 1185 3HD1 LEU 48 3HD1 LEU 48 -0.660 0.039 -0.788 1186 1HD2 LEU 48 1HD2 LEU 48 -1.718 -1.768 -0.475 1187 2HD2 LEU 48 2HD2 LEU 48 -2.706 -2.150 0.933 1188 3HD2 LEU 48 3HD2 LEU 48 -0.954 -2.013 1.095 1189 H ASN 49 H ASN 49 -0.742 -3.137 3.771 1190 HA ASN 49 HA ASN 49 0.558 -1.979 6.214 1191 1HB ASN 49 2HB ASN 49 -0.752 -4.504 5.470 1192 2HB ASN 49 1HB ASN 49 0.807 -4.757 6.254 1193 1HD2 ASN 49 1HD2 ASN 49 0.156 -5.325 8.374 1194 2HD2 ASN 49 2HD2 ASN 49 -0.808 -4.338 9.363 1195 H ILE 50 H ILE 50 2.484 -1.145 5.177 1196 HA ILE 50 HA ILE 50 4.137 -2.998 3.538 1197 HB ILE 50 HB ILE 50 4.041 -0.066 4.189 1198 1HG1 ILE 50 2HG1 ILE 50 4.023 0.170 1.799 1199 2HG1 ILE 50 1HG1 ILE 50 4.532 -1.502 1.569 1200 1HG2 ILE 50 1HG2 ILE 50 6.348 -0.311 4.539 1201 2HG2 ILE 50 2HG2 ILE 50 6.262 0.035 2.812 1202 3HG2 ILE 50 3HG2 ILE 50 6.484 -1.623 3.369 1203 1HD1 ILE 50 1HD1 ILE 50 1.916 -0.656 2.841 1204 2HD1 ILE 50 2HD1 ILE 50 2.425 -2.308 2.499 1205 3HD1 ILE 50 3HD1 ILE 50 2.095 -1.196 1.172 1206 H LYS 51 H LYS 51 6.121 -3.881 4.299 1207 HA LYS 51 HA LYS 51 7.280 -2.858 6.817 1208 1HB LYS 51 2HB LYS 51 6.969 -5.176 7.896 1209 2HB LYS 51 1HB LYS 51 5.540 -4.149 7.788 1210 1HG LYS 51 2HG LYS 51 4.557 -5.446 6.148 1211 2HG LYS 51 1HG LYS 51 6.104 -5.997 5.508 1212 1HD LYS 51 2HD LYS 51 5.158 -6.814 8.254 1213 2HD LYS 51 1HD LYS 51 4.693 -7.719 6.813 1214 1HE LYS 51 2HE LYS 51 6.746 -8.682 6.647 1215 2HE LYS 51 1HE LYS 51 7.572 -7.132 6.900 1216 1HZ LYS 51 1HZ LYS 51 7.258 -7.279 9.218 1217 2HZ LYS 51 2HZ LYS 51 7.825 -8.809 8.746 1218 3HZ LYS 51 3HZ LYS 51 6.175 -8.578 9.080 1219 HA PRO 52 HA PRO 52 10.556 -4.788 4.413 1220 1HB PRO 52 2HB PRO 52 12.575 -3.259 5.389 1221 2HB PRO 52 1HB PRO 52 11.463 -2.689 4.130 1222 1HG PRO 52 2HG PRO 52 11.580 -2.005 6.992 1223 2HG PRO 52 1HG PRO 52 11.008 -1.048 5.622 1224 1HD PRO 52 2HD PRO 52 9.415 -2.423 7.484 1225 2HD PRO 52 1HD PRO 52 8.874 -1.711 5.949 1226 H VAL 53 H VAL 53 11.942 -6.402 4.912 1227 HA VAL 53 HA VAL 53 12.937 -6.741 7.682 1228 HB VAL 53 HB VAL 53 11.980 -9.017 7.764 1229 1HG1 VAL 53 1HG1 VAL 53 10.743 -6.899 8.553 1230 2HG1 VAL 53 2HG1 VAL 53 9.745 -8.326 8.273 1231 3HG1 VAL 53 3HG1 VAL 53 9.796 -7.035 7.072 1232 1HG2 VAL 53 1HG2 VAL 53 10.091 -9.370 5.982 1233 2HG2 VAL 53 2HG2 VAL 53 11.760 -9.690 5.510 1234 3HG2 VAL 53 3HG2 VAL 53 10.986 -8.178 5.045 1235 H ALA 54 H ALA 54 15.069 -7.047 7.358 1236 HA ALA 54 HA ALA 54 16.344 -7.792 4.949 1237 1HB ALA 54 1HB ALA 54 17.976 -8.584 7.127 1238 2HB ALA 54 2HB ALA 54 17.004 -7.227 7.693 1239 3HB ALA 54 3HB ALA 54 18.016 -7.049 6.261 1240 H ARG 55 H ARG 55 16.793 -9.759 3.956 1241 HA ARG 55 HA ARG 55 17.249 -12.237 5.238 1242 1HB ARG 55 2HB ARG 55 14.485 -11.372 5.295 1243 2HB ARG 55 1HB ARG 55 14.626 -12.860 4.360 1244 1HG ARG 55 2HG ARG 55 16.244 -13.439 6.481 1245 2HG ARG 55 1HG ARG 55 15.040 -12.407 7.253 1246 1HD ARG 55 2HD ARG 55 13.545 -14.105 7.232 1247 2HD ARG 55 1HD ARG 55 13.702 -14.244 5.470 1248 HE ARG 55 HE ARG 55 15.951 -15.486 6.155 1249 1HH1 ARG 55 1HH1 ARG 55 15.194 -15.689 9.024 1250 2HH1 ARG 55 2HH1 ARG 55 14.395 -17.223 9.094 1251 1HH2 ARG 55 1HH2 ARG 55 13.922 -17.431 5.664 1252 2HH2 ARG 55 2HH2 ARG 55 13.676 -18.211 7.191 1253 H GLN 56 H GLN 56 18.655 -12.024 3.284 1254 HA GLN 56 HA GLN 56 17.342 -13.301 0.948 1255 1HB GLN 56 2HB GLN 56 18.756 -10.625 0.985 1256 2HB GLN 56 1HB GLN 56 18.433 -11.511 -0.502 1257 1HG GLN 56 2HG GLN 56 16.325 -10.647 1.497 1258 2HG GLN 56 1HG GLN 56 16.665 -9.852 -0.036 1259 1HE2 GLN 56 1HE2 GLN 56 17.013 -12.009 -1.761 1260 2HE2 GLN 56 2HE2 GLN 56 15.576 -12.907 -1.858 1261 H ALA 57 H ALA 57 19.781 -12.554 -0.648 1262 HA ALA 57 HA ALA 57 21.331 -14.873 -0.336 1263 1HB ALA 57 1HB ALA 57 22.379 -14.003 -2.151 1264 2HB ALA 57 2HB ALA 57 22.676 -12.455 -1.359 1265 3HB ALA 57 3HB ALA 57 21.099 -12.793 -2.074 1266 H ARG 58 H ARG 58 23.922 -14.199 -0.306 1267 HA ARG 58 HA ARG 58 24.506 -13.868 2.563 1268 1HB ARG 58 2HB ARG 58 25.831 -14.801 0.034 1269 2HB ARG 58 1HB ARG 58 26.825 -14.480 1.449 1270 1HG ARG 58 2HG ARG 58 26.207 -16.810 1.455 1271 2HG ARG 58 1HG ARG 58 25.351 -15.998 2.764 1272 1HD ARG 58 2HD ARG 58 23.302 -15.922 1.474 1273 2HD ARG 58 1HD ARG 58 24.142 -16.514 0.027 1274 HE ARG 58 HE ARG 58 24.710 -18.443 1.919 1275 1HH1 ARG 58 1HH2 ARG 58 21.792 -16.932 2.266 1276 2HH1 ARG 58 2HH2 ARG 58 20.808 -18.305 1.885 1277 1HH2 ARG 58 1HH1 ARG 58 23.464 -20.236 0.771 1278 2HH2 ARG 58 2HH1 ARG 58 21.753 -20.174 1.038 1279 H LYS 59 H LYS 59 27.290 -13.002 1.787 1280 HA LYS 59 HA LYS 59 28.085 -10.825 0.605 1281 1HB LYS 59 2HB LYS 59 26.030 -9.616 0.771 1282 2HB LYS 59 1HB LYS 59 25.912 -9.905 2.504 1283 1HG LYS 59 2HG LYS 59 27.354 -8.202 3.011 1284 2HG LYS 59 1HG LYS 59 28.361 -8.504 1.595 1285 1HD LYS 59 2HD LYS 59 25.611 -7.492 1.079 1286 2HD LYS 59 1HD LYS 59 26.753 -6.350 1.790 1287 1HE LYS 59 2HE LYS 59 28.314 -7.478 -0.153 1288 2HE LYS 59 1HE LYS 59 26.719 -7.512 -0.930 1289 1HZ LYS 59 1HZ LYS 59 27.878 -5.365 -1.225 1290 2HZ LYS 59 2HZ LYS 59 27.864 -5.147 0.459 1291 3HZ LYS 59 3HZ LYS 59 26.402 -5.206 -0.403 1292 H GLY 60 H GLY 60 29.358 -12.620 2.090 1293 1HA GLY 60 2HA GLY 60 30.218 -11.221 4.582 1294 2HA GLY 60 1HA GLY 60 30.366 -12.957 4.316 1295 H PHE 61 H PHE 61 32.207 -13.738 3.320 1296 HA PHE 61 HA PHE 61 34.041 -12.108 1.743 1297 1HB PHE 61 2HB PHE 61 34.005 -11.574 4.443 1298 2HB PHE 61 1HB PHE 61 35.249 -12.808 4.380 1299 HD1 PHE 61 HD1 PHE 61 34.421 -10.037 1.932 1300 HD2 PHE 61 HD2 PHE 61 37.352 -11.709 4.616 1301 HE1 PHE 61 HE1 PHE 61 36.045 -8.293 1.275 1302 HE2 PHE 61 HE2 PHE 61 38.954 -9.971 3.938 1303 HZ PHE 61 HZ PHE 61 38.305 -8.255 2.276 1304 H ASN 62 H ASN 62 34.614 -13.826 0.373 1305 HA ASN 62 HA ASN 62 35.402 -16.458 1.568 1306 1HB ASN 62 2HB ASN 62 33.963 -15.543 -0.825 1307 2HB ASN 62 1HB ASN 62 35.023 -16.937 -1.041 1308 1HD2 ASN 62 1HD2 ASN 62 32.956 -18.227 -1.339 1309 2HD2 ASN 62 2HD2 ASN 62 32.102 -18.731 0.038 1310 HA PRO 63 HA PRO 63 38.948 -15.942 -1.512 1311 1HB PRO 63 2HB PRO 63 38.738 -14.372 -3.730 1312 2HB PRO 63 1HB PRO 63 38.127 -16.035 -3.665 1313 1HG PRO 63 2HG PRO 63 36.648 -13.473 -3.500 1314 2HG PRO 63 1HG PRO 63 36.163 -15.017 -4.211 1315 1HD PRO 63 2HD PRO 63 35.328 -14.070 -1.753 1316 2HD PRO 63 1HD PRO 63 35.279 -15.758 -2.280 1317 H GLN 64 H GLN 64 38.266 -12.731 -2.811 1318 HA GLN 64 HA GLN 64 39.473 -10.711 -2.514 1319 1HB GLN 64 2HB GLN 64 37.608 -10.949 -0.735 1320 2HB GLN 64 1HB GLN 64 38.954 -11.064 0.379 1321 1HG GLN 64 2HG GLN 64 38.360 -8.740 0.237 1322 2HG GLN 64 1HG GLN 64 39.874 -8.952 -0.637 1323 1HE2 GLN 64 1HE2 GLN 64 38.062 -6.769 -1.175 1324 2HE2 GLN 64 2HE2 GLN 64 37.455 -6.968 -2.747 1325 H THR 65 H THR 65 41.234 -13.267 -2.048 1326 HA THR 65 HA THR 65 43.373 -13.730 -1.074 1327 HB THR 65 HB THR 65 44.887 -12.025 -1.592 1328 HG1 THR 65 HG1 THR 65 42.922 -10.258 -0.576 1329 1HG2 THR 65 1HG2 THR 65 42.592 -10.609 -2.898 1330 2HG2 THR 65 2HG2 THR 65 42.971 -12.260 -3.391 1331 3HG2 THR 65 3HG2 THR 65 44.186 -10.990 -3.550 1332 H GLN 66 H GLN 66 40.955 -13.016 0.467 1333 HA GLN 66 HA GLN 66 41.907 -12.918 3.196 1334 1HB GLN 66 2HB GLN 66 40.870 -10.514 1.743 1335 2HB GLN 66 1HB GLN 66 40.476 -10.718 3.445 1336 1HG GLN 66 2HG GLN 66 42.472 -9.819 3.953 1337 2HG GLN 66 1HG GLN 66 43.232 -11.250 3.260 1338 1HE2 GLN 66 1HE2 GLN 66 41.390 -8.702 1.512 1339 2HE2 GLN 66 2HE2 GLN 66 42.692 -8.220 0.536 1340 H GLU 67 H GLU 67 39.345 -12.502 0.844 1341 HA GLU 67 HA GLU 67 37.596 -14.331 1.047 1342 1HB GLU 67 2HB GLU 67 37.837 -13.117 3.735 1343 2HB GLU 67 1HB GLU 67 36.215 -13.450 3.206 1344 1HG GLU 67 2HG GLU 67 36.760 -15.784 2.786 1345 2HG GLU 67 1HG GLU 67 38.451 -15.476 3.174 1346 H ALA 68 H ALA 68 35.928 -13.592 -0.323 1347 HA ALA 68 HA ALA 68 34.907 -10.817 -0.043 1348 1HB ALA 68 1HB ALA 68 36.281 -10.140 -1.704 1349 2HB ALA 68 2HB ALA 68 35.296 -11.120 -2.787 1350 3HB ALA 68 3HB ALA 68 36.758 -11.795 -2.076 1351 H LEU 69 H LEU 69 32.826 -11.835 0.446 1352 HA LEU 69 HA LEU 69 31.654 -13.591 -1.635 1353 1HB LEU 69 2HB LEU 69 31.013 -12.736 1.173 1354 2HB LEU 69 1HB LEU 69 29.761 -13.484 0.180 1355 HG LEU 69 HG LEU 69 32.496 -14.681 0.688 1356 1HD1 LEU 69 1HD1 LEU 69 31.634 -15.851 2.459 1357 2HD1 LEU 69 2HD1 LEU 69 30.029 -15.961 1.738 1358 3HD1 LEU 69 3HD1 LEU 69 30.531 -14.479 2.552 1359 1HD2 LEU 69 1HD2 LEU 69 30.886 -16.713 -0.116 1360 2HD2 LEU 69 2HD2 LEU 69 31.857 -15.759 -1.236 1361 3HD2 LEU 69 3HD2 LEU 69 30.151 -15.377 -1.004 1362 H GLU 70 H GLU 70 29.662 -13.042 -2.674 1363 HA GLU 70 HA GLU 70 28.473 -10.378 -2.319 1364 1HB GLU 70 2HB GLU 70 29.007 -9.716 -4.681 1365 2HB GLU 70 1HB GLU 70 30.462 -9.902 -3.702 1366 1HG GLU 70 2HG GLU 70 31.229 -11.358 -5.240 1367 2HG GLU 70 1HG GLU 70 29.943 -12.464 -4.755 1368 H ILE 71 H ILE 71 26.382 -10.392 -3.105 1369 HA ILE 71 HA ILE 71 25.344 -12.414 -4.961 1370 HB ILE 71 HB ILE 71 23.888 -13.069 -2.779 1371 1HG1 ILE 71 2HG1 ILE 71 25.311 -13.209 -0.816 1372 2HG1 ILE 71 1HG1 ILE 71 26.626 -12.438 -1.679 1373 1HG2 ILE 71 1HG2 ILE 71 26.527 -14.394 -2.888 1374 2HG2 ILE 71 2HG2 ILE 71 25.594 -14.370 -4.385 1375 3HG2 ILE 71 3HG2 ILE 71 24.911 -15.101 -2.933 1376 1HD1 ILE 71 1HD1 ILE 71 24.053 -11.247 -0.693 1377 2HD1 ILE 71 2HD1 ILE 71 24.860 -10.525 -2.076 1378 3HD1 ILE 71 3HD1 ILE 71 25.697 -10.633 -0.541 1379 H ALA 72 H ALA 72 22.706 -12.211 -3.681 1380 HA ALA 72 HA ALA 72 22.052 -9.442 -4.565 1381 1HB ALA 72 1HB ALA 72 19.808 -10.514 -4.880 1382 2HB ALA 72 2HB ALA 72 20.514 -12.031 -4.323 1383 3HB ALA 72 3HB ALA 72 21.095 -11.281 -5.810 1384 HA PRO 73 HA PRO 73 21.197 -9.395 -0.014 1385 1HB PRO 73 2HB PRO 73 22.302 -6.943 0.461 1386 2HB PRO 73 1HB PRO 73 23.258 -8.437 0.455 1387 1HG PRO 73 2HG PRO 73 23.014 -6.337 -1.628 1388 2HG PRO 73 1HG PRO 73 24.419 -7.304 -1.155 1389 1HD PRO 73 2HD PRO 73 22.871 -7.783 -3.380 1390 2HD PRO 73 1HD PRO 73 23.877 -8.996 -2.564 1391 H SER 74 H SER 74 19.063 -8.745 0.422 1392 HA SER 74 HA SER 74 18.244 -5.995 -0.307 1393 1HB SER 74 2HB SER 74 17.876 -7.305 -2.361 1394 2HB SER 74 1HB SER 74 16.938 -8.486 -1.454 1395 HG SER 74 HG SER 74 15.325 -7.069 -1.249 1396 H VAL 75 H VAL 75 16.774 -5.265 1.245 1397 HA VAL 75 HA VAL 75 16.179 -6.859 3.526 1398 HB VAL 75 HB VAL 75 16.172 -4.269 3.082 1399 1HG1 VAL 75 1HG1 VAL 75 14.137 -4.732 1.441 1400 2HG1 VAL 75 2HG1 VAL 75 14.159 -3.280 2.441 1401 3HG1 VAL 75 3HG1 VAL 75 13.198 -4.674 2.932 1402 1HG2 VAL 75 1HG2 VAL 75 15.029 -5.974 5.075 1403 2HG2 VAL 75 2HG2 VAL 75 13.970 -4.581 4.878 1404 3HG2 VAL 75 3HG2 VAL 75 15.674 -4.347 5.271 1405 H GLY 76 H GLY 76 13.534 -6.882 4.095 1406 1HA GLY 76 2HA GLY 76 12.384 -8.516 1.866 1407 2HA GLY 76 1HA GLY 76 12.062 -8.821 3.574 1408 H VAL 77 H VAL 77 12.049 -5.862 1.623 1409 HA VAL 77 HA VAL 77 10.026 -4.444 2.874 1410 HB VAL 77 HB VAL 77 11.422 -3.605 1.053 1411 1HG1 VAL 77 1HG1 VAL 77 10.075 -4.637 -1.242 1412 2HG1 VAL 77 2HG1 VAL 77 10.530 -6.009 -0.233 1413 3HG1 VAL 77 3HG1 VAL 77 11.759 -4.868 -0.777 1414 1HG2 VAL 77 1HG2 VAL 77 9.474 -2.301 1.250 1415 2HG2 VAL 77 2HG2 VAL 77 8.437 -3.576 0.619 1416 3HG2 VAL 77 3HG2 VAL 77 9.520 -2.707 -0.463 1417 H SER 78 H SER 78 8.550 -6.131 3.611 1418 HA SER 78 HA SER 78 6.827 -7.453 1.647 1419 1HB SER 78 2HB SER 78 7.326 -7.423 4.516 1420 2HB SER 78 1HB SER 78 5.598 -7.419 4.178 1421 HG SER 78 HG SER 78 6.173 -9.523 4.120 1422 H VAL 79 H VAL 79 4.344 -7.045 2.129 1423 HA VAL 79 HA VAL 79 3.362 -4.493 2.911 1424 HB VAL 79 HB VAL 79 4.404 -3.394 1.127 1425 1HG1 VAL 79 1HG1 VAL 79 5.667 -4.974 0.012 1426 2HG1 VAL 79 2HG1 VAL 79 4.429 -4.685 -1.210 1427 3HG1 VAL 79 3HG1 VAL 79 4.315 -6.093 -0.154 1428 1HG2 VAL 79 1HG2 VAL 79 1.948 -3.153 0.797 1429 2HG2 VAL 79 2HG2 VAL 79 1.979 -4.538 -0.291 1430 3HG2 VAL 79 3HG2 VAL 79 2.839 -3.060 -0.720 1431 H LYS 80 H LYS 80 1.015 -4.231 1.926 1432 HA LYS 80 HA LYS 80 -0.257 -6.388 0.554 1433 1HB LYS 80 2HB LYS 80 0.339 -6.711 3.410 1434 2HB LYS 80 1HB LYS 80 -1.374 -6.916 3.056 1435 1HG LYS 80 2HG LYS 80 -1.037 -8.874 1.984 1436 2HG LYS 80 1HG LYS 80 0.389 -8.270 1.139 1437 1HD LYS 80 2HD LYS 80 1.710 -8.527 3.227 1438 2HD LYS 80 1HD LYS 80 0.287 -9.195 4.025 1439 1HE LYS 80 2HE LYS 80 1.138 -10.452 1.440 1440 2HE LYS 80 1HE LYS 80 2.085 -10.811 2.898 1441 1HZ LYS 80 1HZ LYS 80 -0.845 -11.122 2.540 1442 2HZ LYS 80 2HZ LYS 80 -0.067 -11.228 4.047 1443 3HZ LYS 80 3HZ LYS 80 0.286 -12.352 2.823 1444 HA PRO 81 HA PRO 81 -3.723 -3.679 1.275 1445 1HB PRO 81 2HB PRO 81 -5.765 -5.388 0.689 1446 2HB PRO 81 1HB PRO 81 -4.682 -4.747 -0.563 1447 1HG PRO 81 2HG PRO 81 -4.808 -7.438 0.607 1448 2HG PRO 81 1HG PRO 81 -4.183 -6.914 -0.961 1449 1HD PRO 81 2HD PRO 81 -2.676 -7.531 1.364 1450 2HD PRO 81 1HD PRO 81 -2.077 -6.861 -0.166 1451 H GLY 82 H GLY 82 -5.714 -3.582 2.740 1452 1HA GLY 82 2HA GLY 82 -5.527 -5.557 4.993 1453 2HA GLY 82 1HA GLY 82 -5.713 -3.827 5.303 1454 H GLU 83 H GLU 83 -7.752 -2.908 5.109 1455 HA GLU 83 HA GLU 83 -10.050 -4.748 4.861 1456 1HB GLU 83 2HB GLU 83 -11.303 -2.691 5.360 1457 2HB GLU 83 1HB GLU 83 -9.935 -2.820 6.463 1458 1HG GLU 83 2HG GLU 83 -8.942 -1.456 4.217 1459 2HG GLU 83 1HG GLU 83 -10.530 -0.752 4.518 1460 H SER 84 H SER 84 -8.476 -4.748 2.614 1461 HA SER 84 HA SER 84 -8.360 -3.844 0.360 1462 1HB SER 84 2HB SER 84 -9.693 -6.136 1.126 1463 2HB SER 84 1HB SER 84 -10.838 -5.353 0.043 1464 HG SER 84 HG SER 84 -9.489 -6.570 -1.216 1465 H LEU 85 H LEU 85 -9.522 -1.733 1.795 1466 HA LEU 85 HA LEU 85 -11.595 -0.381 1.695 1467 1HB LEU 85 2HB LEU 85 -11.031 -0.193 -1.227 1468 2HB LEU 85 1HB LEU 85 -11.065 1.095 -0.028 1469 HG LEU 85 HG LEU 85 -8.802 -0.904 -0.322 1470 1HD1 LEU 85 1HD1 LEU 85 -9.397 1.557 -1.756 1471 2HD1 LEU 85 2HD1 LEU 85 -8.125 0.373 -2.050 1472 3HD1 LEU 85 3HD1 LEU 85 -7.870 1.670 -0.885 1473 1HD2 LEU 85 1HD2 LEU 85 -8.661 -0.177 1.872 1474 2HD2 LEU 85 2HD2 LEU 85 -9.430 1.364 1.524 1475 3HD2 LEU 85 3HD2 LEU 85 -7.747 1.099 1.071 1476 H LYS 86 H LYS 86 -11.649 -3.210 1.390 1477 HA LYS 86 HA LYS 86 -13.269 -4.403 -0.606 1478 1HB LYS 86 2HB LYS 86 -11.904 -4.951 1.786 1479 2HB LYS 86 1HB LYS 86 -13.584 -5.158 2.259 1480 1HG LYS 86 2HG LYS 86 -13.911 -6.912 0.691 1481 2HG LYS 86 1HG LYS 86 -12.427 -6.507 -0.182 1482 1HD LYS 86 2HD LYS 86 -11.060 -7.166 1.721 1483 2HD LYS 86 1HD LYS 86 -12.494 -7.423 2.711 1484 1HE LYS 86 2HE LYS 86 -13.037 -9.420 1.651 1485 2HE LYS 86 1HE LYS 86 -12.282 -8.931 0.120 1486 1HZ LYS 86 1HZ LYS 86 -10.118 -8.944 1.362 1487 2HZ LYS 86 2HZ LYS 86 -10.814 -10.475 1.122 1488 3HZ LYS 86 3HZ LYS 86 -10.924 -9.717 2.639 1489 H LYS 87 H LYS 87 -13.676 -2.644 2.286 1490 HA LYS 87 HA LYS 87 -16.542 -2.577 2.469 1491 1HB LYS 87 2HB LYS 87 -14.585 -2.243 4.167 1492 2HB LYS 87 1HB LYS 87 -14.452 -0.625 3.477 1493 1HG LYS 87 2HG LYS 87 -17.172 -1.549 4.329 1494 2HG LYS 87 1HG LYS 87 -16.025 -1.106 5.594 1495 1HD LYS 87 2HD LYS 87 -16.113 0.799 3.349 1496 2HD LYS 87 1HD LYS 87 -17.630 0.675 4.240 1497 1HE LYS 87 2HE LYS 87 -16.639 2.171 5.666 1498 2HE LYS 87 1HE LYS 87 -15.784 0.746 6.288 1499 1HZ LYS 87 1HZ LYS 87 -14.043 1.088 4.687 1500 2HZ LYS 87 2HZ LYS 87 -14.255 2.524 5.570 1501 3HZ LYS 87 3HZ LYS 87 -14.870 2.395 3.991 1502 H ALA 88 H ALA 88 -13.895 -0.736 1.018 1503 HA ALA 88 HA ALA 88 -15.609 1.466 0.112 1504 1HB ALA 88 1HB ALA 88 -13.086 0.940 -1.309 1505 2HB ALA 88 2HB ALA 88 -12.905 0.958 0.445 1506 3HB ALA 88 3HB ALA 88 -13.572 2.360 -0.383 1507 H ALA 89 H ALA 89 -14.561 -1.652 -1.012 1508 HA ALA 89 HA ALA 89 -15.188 -1.391 -3.790 1509 1HB ALA 89 1HB ALA 89 -15.069 -3.822 -3.718 1510 2HB ALA 89 2HB ALA 89 -15.394 -3.827 -1.993 1511 3HB ALA 89 3HB ALA 89 -13.865 -3.195 -2.601 1512 H GLU 90 H GLU 90 -17.130 -2.569 -1.045 1513 HA GLU 90 HA GLU 90 -19.554 -3.020 -2.489 1514 1HB GLU 90 2HB GLU 90 -18.606 -2.778 0.249 1515 2HB GLU 90 1HB GLU 90 -20.158 -1.960 0.076 1516 1HG GLU 90 2HG GLU 90 -20.873 -4.121 -1.208 1517 2HG GLU 90 1HG GLU 90 -19.490 -4.855 -0.396 1518 H GLY 91 H GLY 91 -17.904 -0.158 -1.320 1519 1HA GLY 91 2HA GLY 91 -20.083 1.701 -1.645 1520 2HA GLY 91 1HA GLY 91 -18.379 2.124 -1.530 1521 H LEU 92 H LEU 92 -17.559 0.513 -3.942 1522 HA LEU 92 HA LEU 92 -18.375 2.546 -5.933 1523 1HB LEU 92 2HB LEU 92 -16.520 1.788 -7.139 1524 2HB LEU 92 1HB LEU 92 -16.045 1.419 -5.497 1525 HG LEU 92 HG LEU 92 -17.380 -0.873 -6.177 1526 1HD1 LEU 92 1HD1 LEU 92 -15.843 -1.080 -8.503 1527 2HD1 LEU 92 2HD1 LEU 92 -16.610 0.502 -8.638 1528 3HD1 LEU 92 3HD1 LEU 92 -17.599 -0.942 -8.429 1529 1HD2 LEU 92 1HD2 LEU 92 -14.508 -0.731 -6.947 1530 2HD2 LEU 92 2HD2 LEU 92 -15.323 -1.839 -5.843 1531 3HD2 LEU 92 3HD2 LEU 92 -14.910 -0.212 -5.310 1532 H LYS 93 H LYS 93 -20.200 0.155 -4.927 1533 HA LYS 93 HA LYS 93 -21.801 -1.265 -5.955 1534 1HB LYS 93 2HB LYS 93 -21.187 0.618 -8.270 1535 2HB LYS 93 1HB LYS 93 -22.619 -0.400 -8.132 1536 1HG LYS 93 2HG LYS 93 -21.856 1.735 -6.123 1537 2HG LYS 93 1HG LYS 93 -23.020 1.972 -7.427 1538 1HD LYS 93 2HD LYS 93 -23.921 -0.363 -6.288 1539 2HD LYS 93 1HD LYS 93 -23.325 0.519 -4.882 1540 1HE LYS 93 2HE LYS 93 -25.432 1.458 -4.970 1541 2HE LYS 93 1HE LYS 93 -24.657 2.519 -6.164 1542 1HZ LYS 93 1HZ LYS 93 -25.892 -0.092 -6.847 1543 2HZ LYS 93 2HZ LYS 93 -25.331 1.096 -7.924 1544 3HZ LYS 93 3HZ LYS 93 -26.712 1.386 -6.980 1545 H TYR 94 H TYR 94 -19.096 -2.044 -5.888 1546 HA TYR 94 HA TYR 94 -17.712 -2.858 -8.104 1547 1HB TYR 94 2HB TYR 94 -16.702 -4.327 -6.643 1548 2HB TYR 94 1HB TYR 94 -17.554 -3.302 -5.491 1549 HD1 TYR 94 HD1 TYR 94 -19.922 -4.033 -4.772 1550 HD2 TYR 94 HD2 TYR 94 -17.108 -6.590 -6.752 1551 HE1 TYR 94 HE1 TYR 94 -21.206 -6.029 -4.033 1552 HE2 TYR 94 HE2 TYR 94 -18.377 -8.590 -6.016 1553 HH TYR 94 HH TYR 94 -21.297 -8.699 -5.187 1554 H GLU 95 H GLU 95 -20.794 -4.197 -6.995 1555 HA GLU 95 HA GLU 95 -20.867 -6.579 -8.554 1556 1HB GLU 95 2HB GLU 95 -23.326 -6.321 -8.296 1557 2HB GLU 95 1HB GLU 95 -22.479 -5.996 -6.785 1558 1HG GLU 95 2HG GLU 95 -22.511 -3.518 -7.516 1559 2HG GLU 95 1HG GLU 95 -23.721 -4.017 -8.698 1560 H ASP 96 H ASP 96 -21.776 -3.233 -9.341 1561 HA ASP 96 HA ASP 96 -22.679 -3.724 -12.032 1562 1HB ASP 96 2HB ASP 96 -21.664 -1.412 -10.397 1563 2HB ASP 96 1HB ASP 96 -21.833 -1.200 -12.139 1564 H PHE 97 H PHE 97 -19.571 -3.181 -10.490 1565 HA PHE 97 HA PHE 97 -18.025 -2.989 -12.964 1566 1HB PHE 97 2HB PHE 97 -17.701 -2.396 -10.284 1567 2HB PHE 97 1HB PHE 97 -16.705 -3.839 -10.464 1568 HD1 PHE 97 HD1 PHE 97 -17.370 -0.494 -12.002 1569 HD2 PHE 97 HD2 PHE 97 -14.574 -3.705 -11.433 1570 HE1 PHE 97 HE1 PHE 97 -15.591 0.862 -13.078 1571 HE2 PHE 97 HE2 PHE 97 -12.796 -2.351 -12.510 1572 HZ PHE 97 HZ PHE 97 -13.306 -0.067 -13.333 1573 H ALA 98 H ALA 98 -19.251 -5.532 -10.918 1574 HA ALA 98 HA ALA 98 -17.410 -7.630 -11.626 1575 1HB ALA 98 1HB ALA 98 -18.846 -8.911 -10.320 1576 2HB ALA 98 2HB ALA 98 -20.289 -8.135 -10.973 1577 3HB ALA 98 3HB ALA 98 -19.304 -7.298 -9.772 1578 H LYS 99 H LYS 99 -20.535 -6.574 -12.947 1579 HA LYS 99 HA LYS 99 -20.144 -8.453 -15.253 1580 1HB LYS 99 2HB LYS 99 -22.566 -7.191 -13.941 1581 2HB LYS 99 1HB LYS 99 -22.659 -8.056 -15.475 1582 1HG LYS 99 2HG LYS 99 -21.607 -10.040 -14.343 1583 2HG LYS 99 1HG LYS 99 -21.741 -9.173 -12.813 1584 1HD LYS 99 2HD LYS 99 -24.144 -9.566 -14.591 1585 2HD LYS 99 1HD LYS 99 -23.651 -10.807 -13.438 1586 1HE LYS 99 2HE LYS 99 -24.797 -9.657 -11.852 1587 2HE LYS 99 1HE LYS 99 -23.581 -8.373 -12.000 1588 1HZ LYS 99 1HZ LYS 99 -25.887 -7.625 -12.492 1589 2HZ LYS 99 2HZ LYS 99 -25.903 -8.677 -13.826 1590 3HZ LYS 99 3HZ LYS 99 -24.802 -7.382 -13.774 Start of MODEL 5 1 1H MET 1 1H MET 1 5.357 3.534 11.561 2 2H MET 1 2H MET 1 6.717 4.268 10.854 3 3H MET 1 3H MET 1 5.644 3.359 9.899 4 HA MET 1 HA MET 1 5.060 5.954 11.232 5 1HB MET 1 2HB MET 1 6.040 5.018 8.626 6 2HB MET 1 1HB MET 1 4.653 6.099 8.498 7 1HG MET 1 2HG MET 1 5.774 7.877 9.511 8 2HG MET 1 1HG MET 1 6.917 6.817 10.336 9 1HE MET 1 1HE MET 1 5.856 8.444 6.912 10 2HE MET 1 2HE MET 1 5.562 6.710 6.809 11 3HE MET 1 3HE MET 1 6.800 7.448 5.796 12 H ASN 2 H ASN 2 2.943 6.735 9.771 13 HA ASN 2 HA ASN 2 1.014 4.710 9.125 14 1HB ASN 2 2HB ASN 2 1.484 4.735 11.761 15 2HB ASN 2 1HB ASN 2 0.311 6.050 11.700 16 1HD2 ASN 2 1HD2 ASN 2 -1.880 5.464 11.575 17 2HD2 ASN 2 2HD2 ASN 2 -2.433 3.885 11.284 18 H LYS 3 H LYS 3 -1.365 5.839 9.462 19 HA LYS 3 HA LYS 3 -1.560 7.982 7.654 20 1HB LYS 3 2HB LYS 3 -3.280 6.374 8.973 21 2HB LYS 3 1HB LYS 3 -3.504 7.850 9.912 22 1HG LYS 3 2HG LYS 3 -4.850 8.641 8.286 23 2HG LYS 3 1HG LYS 3 -3.475 8.639 7.185 24 1HD LYS 3 2HD LYS 3 -4.213 6.801 6.088 25 2HD LYS 3 1HD LYS 3 -4.597 5.966 7.587 26 1HE LYS 3 2HE LYS 3 -6.349 8.003 6.151 27 2HE LYS 3 1HE LYS 3 -6.689 6.279 6.384 28 1HZ LYS 3 1HZ LYS 3 -6.786 8.462 8.328 29 2HZ LYS 3 2HZ LYS 3 -6.221 6.960 8.887 30 3HZ LYS 3 3HZ LYS 3 -7.767 7.085 8.195 31 H THR 4 H THR 4 -0.437 8.059 10.917 32 HA THR 4 HA THR 4 -0.817 11.022 11.088 33 HB THR 4 HB THR 4 -0.180 8.851 13.112 34 HG1 THR 4 HG1 THR 4 -2.415 10.530 12.649 35 1HG2 THR 4 1HG2 THR 4 -0.485 11.843 13.505 36 2HG2 THR 4 2HG2 THR 4 0.996 10.910 13.725 37 3HG2 THR 4 3HG2 THR 4 -0.374 10.657 14.807 38 H GLU 5 H GLU 5 1.623 8.556 11.958 39 HA GLU 5 HA GLU 5 3.870 10.221 12.179 40 1HB GLU 5 2HB GLU 5 3.329 7.379 11.442 41 2HB GLU 5 1HB GLU 5 4.964 7.985 11.188 42 1HG GLU 5 2HG GLU 5 4.461 8.954 13.679 43 2HG GLU 5 1HG GLU 5 3.510 7.469 13.714 44 H LEU 6 H LEU 6 2.520 8.659 9.259 45 HA LEU 6 HA LEU 6 4.423 9.656 7.383 46 1HB LEU 6 2HB LEU 6 1.502 8.900 7.268 47 2HB LEU 6 1HB LEU 6 2.353 9.446 5.827 48 HG LEU 6 HG LEU 6 3.797 7.401 7.384 49 1HD1 LEU 6 1HD1 LEU 6 1.006 7.014 6.853 50 2HD1 LEU 6 2HD1 LEU 6 2.159 5.868 7.535 51 3HD1 LEU 6 3HD1 LEU 6 1.927 5.951 5.789 52 1HD2 LEU 6 1HD2 LEU 6 4.336 6.593 5.186 53 2HD2 LEU 6 2HD2 LEU 6 4.377 8.353 5.093 54 3HD2 LEU 6 3HD2 LEU 6 2.985 7.469 4.467 55 H ILE 7 H ILE 7 1.510 11.218 8.789 56 HA ILE 7 HA ILE 7 1.425 13.474 7.057 57 HB ILE 7 HB ILE 7 0.029 14.463 8.640 58 1HG1 ILE 7 2HG1 ILE 7 0.228 13.678 11.156 59 2HG1 ILE 7 1HG1 ILE 7 1.883 13.328 10.683 60 1HG2 ILE 7 1HG2 ILE 7 -1.254 12.690 9.795 61 2HG2 ILE 7 2HG2 ILE 7 0.019 11.547 9.392 62 3HG2 ILE 7 3HG2 ILE 7 -0.917 12.307 8.110 63 1HD1 ILE 7 1HD1 ILE 7 2.226 15.524 11.187 64 2HD1 ILE 7 2HD1 ILE 7 0.522 15.935 10.979 65 3HD1 ILE 7 3HD1 ILE 7 1.574 15.788 9.571 66 H LYS 8 H LYS 8 3.312 12.838 9.977 67 HA LYS 8 HA LYS 8 4.709 15.348 10.011 68 1HB LYS 8 2HB LYS 8 5.338 14.369 11.961 69 2HB LYS 8 1HB LYS 8 4.624 12.850 11.431 70 1HG LYS 8 2HG LYS 8 6.726 12.303 10.224 71 2HG LYS 8 1HG LYS 8 7.439 13.803 10.821 72 1HD LYS 8 2HD LYS 8 8.153 12.033 12.294 73 2HD LYS 8 1HD LYS 8 6.956 12.992 13.165 74 1HE LYS 8 2HE LYS 8 5.269 11.352 12.899 75 2HE LYS 8 1HE LYS 8 6.146 10.542 11.585 76 1HZ LYS 8 1HZ LYS 8 6.358 9.474 13.844 77 2HZ LYS 8 2HZ LYS 8 7.258 10.832 14.320 78 3HZ LYS 8 3HZ LYS 8 7.821 9.833 13.067 79 H ALA 9 H ALA 9 5.181 12.276 8.327 80 HA ALA 9 HA ALA 9 7.815 12.640 7.324 81 1HB ALA 9 1HB ALA 9 6.033 10.713 7.161 82 2HB ALA 9 2HB ALA 9 7.191 10.918 5.848 83 3HB ALA 9 3HB ALA 9 5.549 11.534 5.678 84 H ILE 10 H ILE 10 4.678 13.904 6.187 85 HA ILE 10 HA ILE 10 6.015 15.363 3.983 86 HB ILE 10 HB ILE 10 3.268 14.536 4.827 87 1HG1 ILE 10 2HG1 ILE 10 3.008 14.193 2.401 88 2HG1 ILE 10 1HG1 ILE 10 4.578 14.947 2.125 89 1HG2 ILE 10 1HG2 ILE 10 3.022 16.999 4.795 90 2HG2 ILE 10 2HG2 ILE 10 2.149 16.248 3.462 91 3HG2 ILE 10 3HG2 ILE 10 3.694 17.039 3.166 92 1HD1 ILE 10 1HD1 ILE 10 4.540 12.729 4.097 93 2HD1 ILE 10 2HD1 ILE 10 5.737 13.114 2.859 94 3HD1 ILE 10 3HD1 ILE 10 4.252 12.270 2.418 95 H ALA 11 H ALA 11 4.522 15.790 7.140 96 HA ALA 11 HA ALA 11 4.444 18.674 7.084 97 1HB ALA 11 1HB ALA 11 3.757 18.353 9.292 98 2HB ALA 11 2HB ALA 11 4.974 17.116 9.593 99 3HB ALA 11 3HB ALA 11 3.514 16.716 8.694 100 H GLN 12 H GLN 12 6.986 16.382 7.175 101 HA GLN 12 HA GLN 12 8.929 18.404 8.189 102 1HB GLN 12 2HB GLN 12 8.971 16.409 9.515 103 2HB GLN 12 1HB GLN 12 8.836 15.378 8.094 104 1HG GLN 12 2HG GLN 12 11.129 15.327 8.951 105 2HG GLN 12 1HG GLN 12 11.094 16.104 7.369 106 1HE2 GLN 12 1HE2 GLN 12 10.323 17.375 10.660 107 2HE2 GLN 12 2HE2 GLN 12 11.413 18.674 10.572 108 H ASP 13 H ASP 13 8.431 15.911 5.649 109 HA ASP 13 HA ASP 13 10.730 16.714 4.061 110 1HB ASP 13 2HB ASP 13 8.109 15.287 3.483 111 2HB ASP 13 1HB ASP 13 9.369 15.494 2.267 112 H THR 14 H THR 14 7.473 17.734 4.519 113 HA THR 14 HA THR 14 7.681 19.848 2.422 114 HB THR 14 HB THR 14 5.060 19.346 3.593 115 HG1 THR 14 HG1 THR 14 6.401 17.154 2.386 116 1HG2 THR 14 1HG2 THR 14 5.693 20.340 1.356 117 2HG2 THR 14 2HG2 THR 14 4.436 19.101 1.324 118 3HG2 THR 14 3HG2 THR 14 6.084 18.699 0.842 119 H GLY 15 H GLY 15 5.573 19.659 5.283 120 1HA GLY 15 2HA GLY 15 5.429 20.994 7.205 121 2HA GLY 15 1HA GLY 15 7.123 21.405 6.958 122 H LEU 16 H LEU 16 6.330 22.326 4.177 123 HA LEU 16 HA LEU 16 6.419 25.014 4.226 124 1HB LEU 16 2HB LEU 16 4.134 24.505 2.575 125 2HB LEU 16 1HB LEU 16 5.788 24.841 2.081 126 HG LEU 16 HG LEU 16 6.306 22.432 2.487 127 1HD1 LEU 16 1HD1 LEU 16 4.379 21.965 3.994 128 2HD1 LEU 16 2HD1 LEU 16 4.373 20.882 2.618 129 3HD1 LEU 16 3HD1 LEU 16 3.277 22.254 2.655 130 1HD2 LEU 16 1HD2 LEU 16 6.065 22.497 0.232 131 2HD2 LEU 16 2HD2 LEU 16 4.717 23.627 0.348 132 3HD2 LEU 16 3HD2 LEU 16 4.428 21.897 0.475 133 H THR 17 H THR 17 3.244 23.501 4.327 134 HA THR 17 HA THR 17 2.293 25.637 6.181 135 HB THR 17 HB THR 17 1.699 25.338 3.498 136 HG1 THR 17 HG1 THR 17 1.132 27.171 4.504 137 1HG2 THR 17 1HG2 THR 17 -0.724 24.579 3.560 138 2HG2 THR 17 2HG2 THR 17 -0.377 23.881 5.134 139 3HG2 THR 17 3HG2 THR 17 0.489 23.312 3.706 140 H GLN 18 H GLN 18 2.810 22.346 5.641 141 HA GLN 18 HA GLN 18 1.997 20.401 6.697 142 1HB GLN 18 2HB GLN 18 0.812 22.316 8.724 143 2HB GLN 18 1HB GLN 18 1.456 20.699 9.010 144 1HG GLN 18 2HG GLN 18 3.702 21.684 8.151 145 2HG GLN 18 1HG GLN 18 2.957 23.251 8.465 146 1HE2 GLN 18 1HE2 GLN 18 5.169 22.633 10.012 147 2HE2 GLN 18 2HE2 GLN 18 4.700 22.252 11.599 148 H VAL 19 H VAL 19 0.503 21.908 4.733 149 HA VAL 19 HA VAL 19 -1.948 22.572 4.511 150 HB VAL 19 HB VAL 19 -1.011 21.457 2.634 151 1HG1 VAL 19 1HG1 VAL 19 -1.000 18.743 2.911 152 2HG1 VAL 19 2HG1 VAL 19 -0.588 19.246 4.549 153 3HG1 VAL 19 3HG1 VAL 19 0.407 19.763 3.196 154 1HG2 VAL 19 1HG2 VAL 19 -3.619 20.631 3.499 155 2HG2 VAL 19 2HG2 VAL 19 -2.854 19.289 2.652 156 3HG2 VAL 19 3HG2 VAL 19 -3.029 20.850 1.853 157 H SER 20 H SER 20 -2.447 19.200 4.716 158 HA SER 20 HA SER 20 -3.843 19.415 7.291 159 1HB SER 20 2HB SER 20 -5.838 19.004 6.273 160 2HB SER 20 1HB SER 20 -5.024 19.389 4.768 161 HG SER 20 HG SER 20 -6.117 17.272 4.969 162 H VAL 21 H VAL 21 -1.224 18.363 6.124 163 HA VAL 21 HA VAL 21 -0.646 15.871 5.588 164 HB VAL 21 HB VAL 21 1.001 15.884 7.479 165 1HG1 VAL 21 1HG1 VAL 21 0.822 18.686 6.430 166 2HG1 VAL 21 2HG1 VAL 21 1.074 17.354 5.302 167 3HG1 VAL 21 3HG1 VAL 21 2.238 17.648 6.594 168 1HG2 VAL 21 1HG2 VAL 21 0.961 17.914 8.963 169 2HG2 VAL 21 2HG2 VAL 21 -0.376 16.802 9.250 170 3HG2 VAL 21 3HG2 VAL 21 -0.643 18.282 8.330 171 H SER 22 H SER 22 -2.294 16.812 8.491 172 HA SER 22 HA SER 22 -2.582 14.085 9.559 173 1HB SER 22 2HB SER 22 -2.594 15.902 11.114 174 2HB SER 22 1HB SER 22 -3.758 16.811 10.154 175 HG SER 22 HG SER 22 -4.239 14.335 11.468 176 H LYS 23 H LYS 23 -4.632 16.407 7.815 177 HA LYS 23 HA LYS 23 -6.764 14.381 7.505 178 1HB LYS 23 2HB LYS 23 -6.441 17.325 6.966 179 2HB LYS 23 1HB LYS 23 -7.838 16.436 6.364 180 1HG LYS 23 2HG LYS 23 -8.772 16.834 8.381 181 2HG LYS 23 1HG LYS 23 -7.656 15.619 9.006 182 1HD LYS 23 2HD LYS 23 -7.465 17.681 10.320 183 2HD LYS 23 1HD LYS 23 -5.976 17.404 9.415 184 1HE LYS 23 2HE LYS 23 -6.256 19.565 8.716 185 2HE LYS 23 1HE LYS 23 -7.478 18.884 7.624 186 1HZ LYS 23 1HZ LYS 23 -9.123 19.119 9.398 187 2HZ LYS 23 2HZ LYS 23 -8.452 20.624 8.983 188 3HZ LYS 23 3HZ LYS 23 -7.956 19.832 10.401 189 H MET 24 H MET 24 -4.120 15.838 5.706 190 HA MET 24 HA MET 24 -5.064 15.292 3.081 191 1HB MET 24 2HB MET 24 -3.335 16.907 3.855 192 2HB MET 24 1HB MET 24 -2.313 15.568 4.336 193 1HG MET 24 2HG MET 24 -3.371 15.805 1.556 194 2HG MET 24 1HG MET 24 -1.913 16.656 2.046 195 1HE MET 24 1HE MET 24 -0.108 13.484 3.722 196 2HE MET 24 2HE MET 24 -1.668 13.963 4.379 197 3HE MET 24 3HE MET 24 -0.494 15.195 3.931 198 H LEU 25 H LEU 25 -3.363 13.461 5.615 199 HA LEU 25 HA LEU 25 -2.958 11.137 3.836 200 1HB LEU 25 2HB LEU 25 -2.454 11.791 6.743 201 2HB LEU 25 1HB LEU 25 -2.275 10.145 6.143 202 HG LEU 25 HG LEU 25 -0.683 12.597 5.418 203 1HD1 LEU 25 1HD1 LEU 25 -0.096 10.833 7.237 204 2HD1 LEU 25 2HD1 LEU 25 1.156 11.313 6.093 205 3HD1 LEU 25 3HD1 LEU 25 0.297 9.790 5.871 206 1HD2 LEU 25 1HD2 LEU 25 -1.162 11.785 3.239 207 2HD2 LEU 25 2HD2 LEU 25 -1.127 10.103 3.769 208 3HD2 LEU 25 3HD2 LEU 25 0.374 11.022 3.649 209 H ALA 26 H ALA 26 -5.012 12.145 6.566 210 HA ALA 26 HA ALA 26 -6.544 9.746 6.837 211 1HB ALA 26 1HB ALA 26 -8.041 11.167 8.056 212 2HB ALA 26 2HB ALA 26 -7.577 12.582 7.111 213 3HB ALA 26 3HB ALA 26 -6.448 11.891 8.277 214 H SER 27 H SER 27 -6.691 12.485 4.632 215 HA SER 27 HA SER 27 -9.165 11.624 3.314 216 1HB SER 27 2HB SER 27 -8.697 13.968 3.348 217 2HB SER 27 1HB SER 27 -7.025 13.714 2.854 218 HG SER 27 HG SER 27 -7.658 13.374 0.828 219 H PHE 28 H PHE 28 -5.675 11.442 2.800 220 HA PHE 28 HA PHE 28 -5.540 10.441 0.163 221 1HB PHE 28 2HB PHE 28 -3.483 10.900 1.151 222 2HB PHE 28 1HB PHE 28 -3.975 10.241 2.702 223 HD1 PHE 28 HD1 PHE 28 -4.141 7.653 2.941 224 HD2 PHE 28 HD2 PHE 28 -2.237 9.611 -0.379 225 HE1 PHE 28 HE1 PHE 28 -2.883 5.602 2.437 226 HE2 PHE 28 HE2 PHE 28 -0.982 7.557 -0.876 227 HZ PHE 28 HZ PHE 28 -1.306 5.537 0.523 228 H GLU 29 H GLU 29 -6.084 8.686 3.222 229 HA GLU 29 HA GLU 29 -6.402 6.129 1.921 230 1HB GLU 29 2HB GLU 29 -5.876 6.552 4.350 231 2HB GLU 29 1HB GLU 29 -7.534 7.139 4.543 232 1HG GLU 29 2HG GLU 29 -7.635 4.683 3.109 233 2HG GLU 29 1HG GLU 29 -6.610 4.453 4.518 234 H LYS 30 H LYS 30 -8.468 8.812 2.883 235 HA LYS 30 HA LYS 30 -10.988 7.596 2.298 236 1HB LYS 30 2HB LYS 30 -10.526 9.748 3.562 237 2HB LYS 30 1HB LYS 30 -10.199 10.511 2.003 238 1HG LYS 30 2HG LYS 30 -12.410 10.236 1.258 239 2HG LYS 30 1HG LYS 30 -12.753 8.984 2.451 240 1HD LYS 30 2HD LYS 30 -13.749 10.683 3.601 241 2HD LYS 30 1HD LYS 30 -12.098 11.078 4.080 242 1HE LYS 30 2HE LYS 30 -11.935 12.844 2.549 243 2HE LYS 30 1HE LYS 30 -13.203 12.178 1.500 244 1HZ LYS 30 1HZ LYS 30 -14.764 12.492 3.397 245 2HZ LYS 30 2HZ LYS 30 -14.169 13.945 2.749 246 3HZ LYS 30 3HZ LYS 30 -13.544 13.344 4.210 247 H ILE 31 H ILE 31 -8.432 8.882 0.280 248 HA ILE 31 HA ILE 31 -10.257 8.688 -2.064 249 HB ILE 31 HB ILE 31 -8.176 9.776 -3.161 250 1HG1 ILE 31 2HG1 ILE 31 -7.549 11.351 -0.899 251 2HG1 ILE 31 1HG1 ILE 31 -7.292 9.663 -0.480 252 1HG2 ILE 31 1HG2 ILE 31 -10.212 11.029 -1.352 253 2HG2 ILE 31 2HG2 ILE 31 -10.196 10.967 -3.114 254 3HG2 ILE 31 3HG2 ILE 31 -9.080 12.031 -2.259 255 1HD1 ILE 31 1HD1 ILE 31 -5.732 9.319 -2.151 256 2HD1 ILE 31 2HD1 ILE 31 -5.394 10.995 -1.716 257 3HD1 ILE 31 3HD1 ILE 31 -6.365 10.633 -3.142 258 H ILE 32 H ILE 32 -7.443 7.349 -0.576 259 HA ILE 32 HA ILE 32 -6.615 5.707 -2.832 260 HB ILE 32 HB ILE 32 -6.173 5.476 0.164 261 1HG1 ILE 32 2HG1 ILE 32 -5.264 7.453 -1.556 262 2HG1 ILE 32 1HG1 ILE 32 -4.477 6.988 -0.049 263 1HG2 ILE 32 1HG2 ILE 32 -5.759 3.341 -0.861 264 2HG2 ILE 32 2HG2 ILE 32 -4.185 4.087 -0.584 265 3HG2 ILE 32 3HG2 ILE 32 -4.886 4.082 -2.202 266 1HD1 ILE 32 1HD1 ILE 32 -3.899 5.666 -2.704 267 2HD1 ILE 32 2HD1 ILE 32 -3.006 5.476 -1.196 268 3HD1 ILE 32 3HD1 ILE 32 -2.959 7.012 -2.062 269 H THR 33 H THR 33 -8.143 5.023 0.291 270 HA THR 33 HA THR 33 -8.967 2.416 -0.480 271 HB THR 33 HB THR 33 -9.015 4.183 1.809 272 HG1 THR 33 HG1 THR 33 -8.138 2.399 2.401 273 1HG2 THR 33 1HG2 THR 33 -11.508 2.562 1.301 274 2HG2 THR 33 2HG2 THR 33 -11.408 4.312 1.501 275 3HG2 THR 33 3HG2 THR 33 -11.061 3.246 2.864 276 H GLU 34 H GLU 34 -10.490 5.639 -0.548 277 HA GLU 34 HA GLU 34 -13.092 4.626 -1.345 278 1HB GLU 34 2HB GLU 34 -11.683 7.280 -1.286 279 2HB GLU 34 1HB GLU 34 -13.340 7.130 -1.860 280 1HG GLU 34 2HG GLU 34 -12.387 6.132 0.850 281 2HG GLU 34 1HG GLU 34 -13.212 7.672 0.602 282 H THR 35 H THR 35 -10.245 5.916 -3.219 283 HA THR 35 HA THR 35 -11.676 6.038 -5.723 284 HB THR 35 HB THR 35 -8.754 5.598 -5.050 285 HG1 THR 35 HG1 THR 35 -9.036 7.663 -4.742 286 1HG2 THR 35 1HG2 THR 35 -8.955 6.510 -7.689 287 2HG2 THR 35 2HG2 THR 35 -10.184 5.255 -7.571 288 3HG2 THR 35 3HG2 THR 35 -8.506 4.883 -7.183 289 H VAL 36 H VAL 36 -9.553 3.429 -4.450 290 HA VAL 36 HA VAL 36 -10.130 1.577 -6.536 291 HB VAL 36 HB VAL 36 -9.348 1.488 -3.644 292 1HG1 VAL 36 1HG1 VAL 36 -9.223 -1.137 -4.153 293 2HG1 VAL 36 2HG1 VAL 36 -10.614 -0.748 -5.156 294 3HG1 VAL 36 3HG1 VAL 36 -10.654 -0.405 -3.431 295 1HG2 VAL 36 1HG2 VAL 36 -7.957 1.636 -5.955 296 2HG2 VAL 36 2HG2 VAL 36 -8.025 -0.116 -5.764 297 3HG2 VAL 36 3HG2 VAL 36 -7.311 0.881 -4.497 298 H ALA 37 H ALA 37 -11.876 2.637 -3.688 299 HA ALA 37 HA ALA 37 -14.104 0.766 -4.159 300 1HB ALA 37 1HB ALA 37 -14.962 2.132 -2.149 301 2HB ALA 37 2HB ALA 37 -13.352 2.840 -2.127 302 3HB ALA 37 3HB ALA 37 -13.550 1.104 -1.907 303 H LYS 38 H LYS 38 -13.118 3.367 -5.739 304 HA LYS 38 HA LYS 38 -15.849 4.580 -6.025 305 1HB LYS 38 2HB LYS 38 -13.591 5.869 -5.310 306 2HB LYS 38 1HB LYS 38 -13.374 5.904 -7.056 307 1HG LYS 38 2HG LYS 38 -15.205 7.265 -7.396 308 2HG LYS 38 1HG LYS 38 -16.054 6.655 -5.977 309 1HD LYS 38 2HD LYS 38 -13.605 8.442 -5.882 310 2HD LYS 38 1HD LYS 38 -15.264 9.001 -5.674 311 1HE LYS 38 2HE LYS 38 -15.022 6.833 -3.896 312 2HE LYS 38 1HE LYS 38 -13.514 7.751 -3.720 313 1HZ LYS 38 1HZ LYS 38 -16.269 8.864 -3.648 314 2HZ LYS 38 2HZ LYS 38 -14.847 9.791 -3.596 315 3HZ LYS 38 3HZ LYS 38 -15.213 8.722 -2.328 316 H GLY 39 H GLY 39 -12.992 3.287 -7.594 317 1HA GLY 39 2HA GLY 39 -13.645 1.780 -9.509 318 2HA GLY 39 1HA GLY 39 -14.543 3.168 -10.117 319 H ASP 40 H ASP 40 -11.294 3.220 -8.638 320 HA ASP 40 HA ASP 40 -10.119 3.743 -11.329 321 1HB ASP 40 2HB ASP 40 -10.803 5.721 -9.332 322 2HB ASP 40 1HB ASP 40 -9.058 5.707 -9.589 323 H LYS 41 H LYS 41 -8.063 2.916 -11.470 324 HA LYS 41 HA LYS 41 -6.995 1.363 -9.258 325 1HB LYS 41 2HB LYS 41 -5.187 0.916 -10.922 326 2HB LYS 41 1HB LYS 41 -6.796 0.676 -11.600 327 1HG LYS 41 2HG LYS 41 -6.518 2.335 -13.108 328 2HG LYS 41 1HG LYS 41 -5.879 3.437 -11.891 329 1HD LYS 41 2HD LYS 41 -3.913 3.185 -13.007 330 2HD LYS 41 1HD LYS 41 -3.812 1.653 -12.138 331 1HE LYS 41 2HE LYS 41 -3.535 0.933 -14.351 332 2HE LYS 41 1HE LYS 41 -5.295 0.786 -14.176 333 1HZ LYS 41 1HZ LYS 41 -3.920 3.247 -15.113 334 2HZ LYS 41 2HZ LYS 41 -5.594 2.956 -15.087 335 3HZ LYS 41 3HZ LYS 41 -4.596 2.093 -16.156 336 H VAL 42 H VAL 42 -6.830 3.289 -7.740 337 HA VAL 42 HA VAL 42 -5.030 5.464 -8.152 338 HB VAL 42 HB VAL 42 -6.743 5.280 -6.371 339 1HG1 VAL 42 1HG1 VAL 42 -5.890 2.751 -6.015 340 2HG1 VAL 42 2HG1 VAL 42 -6.737 3.648 -4.755 341 3HG1 VAL 42 3HG1 VAL 42 -4.977 3.535 -4.726 342 1HG2 VAL 42 1HG2 VAL 42 -5.165 5.920 -4.419 343 2HG2 VAL 42 2HG2 VAL 42 -5.094 6.902 -5.882 344 3HG2 VAL 42 3HG2 VAL 42 -3.858 5.681 -5.578 345 H GLN 43 H GLN 43 -2.793 5.590 -7.983 346 HA GLN 43 HA GLN 43 -1.313 3.293 -6.786 347 1HB GLN 43 2HB GLN 43 0.093 3.179 -8.823 348 2HB GLN 43 1HB GLN 43 -1.597 2.848 -9.195 349 1HG GLN 43 2HG GLN 43 -1.615 5.502 -9.565 350 2HG GLN 43 1HG GLN 43 0.082 5.196 -9.926 351 1HE2 GLN 43 1HE2 GLN 43 -2.367 5.822 -11.733 352 2HE2 GLN 43 2HE2 GLN 43 -2.300 4.614 -12.924 353 H LEU 44 H LEU 44 1.131 3.868 -6.841 354 HA LEU 44 HA LEU 44 1.507 6.797 -6.314 355 1HB LEU 44 2HB LEU 44 2.625 4.364 -4.887 356 2HB LEU 44 1HB LEU 44 3.055 6.030 -4.511 357 HG LEU 44 HG LEU 44 0.172 5.167 -4.525 358 1HD1 LEU 44 1HD1 LEU 44 0.961 5.236 -1.856 359 2HD1 LEU 44 2HD1 LEU 44 2.259 4.347 -2.641 360 3HD1 LEU 44 3HD1 LEU 44 0.594 3.786 -2.780 361 1HD2 LEU 44 1HD2 LEU 44 1.802 7.492 -3.719 362 2HD2 LEU 44 2HD2 LEU 44 0.562 7.025 -2.555 363 3HD2 LEU 44 3HD2 LEU 44 0.111 7.419 -4.214 364 H THR 45 H THR 45 2.844 7.535 -7.915 365 HA THR 45 HA THR 45 4.401 7.414 -9.715 366 HB THR 45 HB THR 45 5.778 8.344 -8.098 367 HG1 THR 45 HG1 THR 45 7.524 7.567 -8.905 368 1HG2 THR 45 1HG2 THR 45 6.638 7.020 -6.128 369 2HG2 THR 45 2HG2 THR 45 5.547 5.723 -6.604 370 3HG2 THR 45 3HG2 THR 45 4.897 7.287 -6.123 371 H GLY 46 H GLY 46 6.206 4.885 -8.047 372 1HA GLY 46 2HA GLY 46 5.172 2.859 -9.943 373 2HA GLY 46 1HA GLY 46 6.888 3.245 -10.019 374 H PHE 47 H PHE 47 5.348 3.321 -6.867 375 HA PHE 47 HA PHE 47 6.640 0.688 -6.293 376 1HB PHE 47 2HB PHE 47 7.517 1.536 -4.299 377 2HB PHE 47 1HB PHE 47 7.699 2.878 -5.422 378 HD1 PHE 47 HD1 PHE 47 6.319 4.846 -5.254 379 HD2 PHE 47 HD2 PHE 47 5.832 1.583 -2.532 380 HE1 PHE 47 HE1 PHE 47 4.964 6.293 -3.779 381 HE2 PHE 47 HE2 PHE 47 4.475 3.017 -1.053 382 HZ PHE 47 HZ PHE 47 4.032 5.374 -1.684 383 H LEU 48 H LEU 48 3.729 2.582 -5.954 384 HA LEU 48 HA LEU 48 2.556 0.211 -4.580 385 1HB LEU 48 2HB LEU 48 2.558 3.048 -3.864 386 2HB LEU 48 1HB LEU 48 0.999 2.242 -3.705 387 HG LEU 48 HG LEU 48 3.616 1.507 -2.380 388 1HD1 LEU 48 1HD1 LEU 48 2.456 3.121 -1.111 389 2HD1 LEU 48 2HD1 LEU 48 2.049 1.577 -0.360 390 3HD1 LEU 48 3HD1 LEU 48 0.895 2.367 -1.434 391 1HD2 LEU 48 1HD2 LEU 48 1.725 -0.262 -1.408 392 2HD2 LEU 48 2HD2 LEU 48 2.973 -0.657 -2.587 393 3HD2 LEU 48 3HD2 LEU 48 1.356 -0.212 -3.132 394 H ASN 49 H ASN 49 1.369 -0.752 -6.139 395 HA ASN 49 HA ASN 49 -0.272 0.957 -7.977 396 1HB ASN 49 2HB ASN 49 1.518 -1.215 -8.306 397 2HB ASN 49 1HB ASN 49 -0.087 -1.859 -8.651 398 1HD2 ASN 49 1HD2 ASN 49 2.254 -1.069 -10.503 399 2HD2 ASN 49 2HD2 ASN 49 1.540 -0.037 -11.646 400 H ILE 50 H ILE 50 -2.120 1.188 -6.529 401 HA ILE 50 HA ILE 50 -3.478 -1.282 -5.577 402 HB ILE 50 HB ILE 50 -4.426 1.572 -5.304 403 1HG1 ILE 50 2HG1 ILE 50 -2.047 1.573 -4.648 404 2HG1 ILE 50 1HG1 ILE 50 -3.082 1.752 -3.234 405 1HG2 ILE 50 1HG2 ILE 50 -4.566 -0.735 -3.356 406 2HG2 ILE 50 2HG2 ILE 50 -5.810 -0.425 -4.566 407 3HG2 ILE 50 3HG2 ILE 50 -5.481 0.771 -3.313 408 1HD1 ILE 50 1HD1 ILE 50 -2.786 -0.538 -2.611 409 2HD1 ILE 50 2HD1 ILE 50 -1.178 0.083 -2.988 410 3HD1 ILE 50 3HD1 ILE 50 -2.029 -0.929 -4.155 411 H LYS 51 H LYS 51 -5.406 -2.076 -6.551 412 HA LYS 51 HA LYS 51 -6.949 -0.309 -8.331 413 1HB LYS 51 2HB LYS 51 -6.536 -1.733 -10.335 414 2HB LYS 51 1HB LYS 51 -5.076 -0.930 -9.761 415 1HG LYS 51 2HG LYS 51 -4.324 -2.954 -8.658 416 2HG LYS 51 1HG LYS 51 -5.845 -3.767 -9.023 417 1HD LYS 51 2HD LYS 51 -3.990 -2.685 -11.156 418 2HD LYS 51 1HD LYS 51 -3.947 -4.355 -10.586 419 1HE LYS 51 2HE LYS 51 -6.315 -4.649 -11.246 420 2HE LYS 51 1HE LYS 51 -6.352 -2.974 -11.834 421 1HZ LYS 51 1HZ LYS 51 -4.573 -3.457 -13.348 422 2HZ LYS 51 2HZ LYS 51 -5.807 -4.597 -13.597 423 3HZ LYS 51 3HZ LYS 51 -4.407 -5.031 -12.739 424 HA PRO 52 HA PRO 52 -9.872 -3.309 -6.794 425 1HB PRO 52 2HB PRO 52 -12.112 -2.134 -7.798 426 2HB PRO 52 1HB PRO 52 -11.272 -1.512 -6.368 427 1HG PRO 52 2HG PRO 52 -11.228 -0.533 -9.164 428 2HG PRO 52 1HG PRO 52 -11.165 0.376 -7.651 429 1HD PRO 52 2HD PRO 52 -8.986 -0.167 -9.248 430 2HD PRO 52 1HD PRO 52 -8.898 0.226 -7.518 431 H VAL 53 H VAL 53 -10.804 -5.116 -7.730 432 HA VAL 53 HA VAL 53 -11.402 -5.077 -10.629 433 HB VAL 53 HB VAL 53 -10.045 -7.108 -10.946 434 1HG1 VAL 53 1HG1 VAL 53 -8.370 -4.939 -9.659 435 2HG1 VAL 53 2HG1 VAL 53 -9.157 -4.714 -11.220 436 3HG1 VAL 53 3HG1 VAL 53 -7.939 -5.973 -11.022 437 1HG2 VAL 53 1HG2 VAL 53 -9.480 -8.285 -9.094 438 2HG2 VAL 53 2HG2 VAL 53 -9.976 -6.958 -8.046 439 3HG2 VAL 53 3HG2 VAL 53 -8.337 -7.003 -8.695 440 H ALA 54 H ALA 54 -13.492 -5.769 -10.708 441 HA ALA 54 HA ALA 54 -14.729 -7.339 -8.696 442 1HB ALA 54 1HB ALA 54 -16.393 -7.786 -10.725 443 2HB ALA 54 2HB ALA 54 -15.444 -6.502 -11.453 444 3HB ALA 54 3HB ALA 54 -16.294 -6.213 -9.939 445 H ARG 55 H ARG 55 -14.560 -9.433 -8.220 446 HA ARG 55 HA ARG 55 -14.323 -11.589 -10.118 447 1HB ARG 55 2HB ARG 55 -12.115 -10.500 -10.458 448 2HB ARG 55 1HB ARG 55 -11.770 -10.686 -8.739 449 1HG ARG 55 2HG ARG 55 -11.950 -13.136 -8.963 450 2HG ARG 55 1HG ARG 55 -12.298 -12.953 -10.682 451 1HD ARG 55 2HD ARG 55 -10.112 -12.270 -11.189 452 2HD ARG 55 1HD ARG 55 -9.792 -11.737 -9.526 453 HE ARG 55 HE ARG 55 -9.980 -14.600 -10.374 454 1HH1 ARG 55 2HH1 ARG 55 -10.631 -14.105 -7.493 455 2HH1 ARG 55 1HH1 ARG 55 -9.081 -14.273 -6.736 456 1HH2 ARG 55 1HH2 ARG 55 -7.305 -13.959 -9.697 457 2HH2 ARG 55 2HH2 ARG 55 -7.198 -14.190 -7.984 458 H GLN 56 H GLN 56 -15.939 -12.247 -8.517 459 HA GLN 56 HA GLN 56 -14.833 -13.851 -6.312 460 1HB GLN 56 2HB GLN 56 -16.510 -11.375 -5.978 461 2HB GLN 56 1HB GLN 56 -16.557 -12.651 -4.772 462 1HG GLN 56 2HG GLN 56 -13.920 -12.451 -4.919 463 2HG GLN 56 1HG GLN 56 -14.290 -10.838 -5.529 464 1HE2 GLN 56 1HE2 GLN 56 -14.452 -9.291 -3.907 465 2HE2 GLN 56 2HE2 GLN 56 -14.913 -9.601 -2.302 466 H ALA 57 H ALA 57 -16.412 -14.107 -8.891 467 HA ALA 57 HA ALA 57 -19.104 -14.805 -7.914 468 1HB ALA 57 1HB ALA 57 -18.769 -13.320 -9.829 469 2HB ALA 57 2HB ALA 57 -19.632 -14.781 -10.308 470 3HB ALA 57 3HB ALA 57 -17.916 -14.609 -10.680 471 H ARG 58 H ARG 58 -20.098 -16.668 -8.137 472 HA ARG 58 HA ARG 58 -18.613 -19.172 -8.261 473 1HB ARG 58 2HB ARG 58 -20.779 -18.119 -6.949 474 2HB ARG 58 1HB ARG 58 -21.572 -19.050 -8.219 475 1HG ARG 58 2HG ARG 58 -20.228 -20.998 -7.580 476 2HG ARG 58 1HG ARG 58 -19.524 -20.055 -6.267 477 1HD ARG 58 2HD ARG 58 -22.102 -19.626 -5.691 478 2HD ARG 58 1HD ARG 58 -22.275 -21.195 -6.506 479 HE ARG 58 HE ARG 58 -20.786 -22.175 -4.853 480 1HH1 ARG 58 1HH2 ARG 58 -19.943 -19.005 -4.606 481 2HH1 ARG 58 2HH2 ARG 58 -20.082 -18.885 -2.884 482 1HH2 ARG 58 2HH1 ARG 58 -21.641 -21.960 -2.528 483 2HH2 ARG 58 1HH1 ARG 58 -21.042 -20.558 -1.707 484 H LYS 59 H LYS 59 -19.344 -17.282 -10.750 485 HA LYS 59 HA LYS 59 -21.214 -18.513 -12.434 486 1HB LYS 59 2HB LYS 59 -19.823 -17.529 -14.257 487 2HB LYS 59 1HB LYS 59 -20.060 -16.410 -12.916 488 1HG LYS 59 2HG LYS 59 -17.833 -16.243 -12.651 489 2HG LYS 59 1HG LYS 59 -17.734 -17.976 -12.347 490 1HD LYS 59 2HD LYS 59 -17.024 -18.438 -14.464 491 2HD LYS 59 1HD LYS 59 -18.080 -17.225 -15.188 492 1HE LYS 59 2HE LYS 59 -15.676 -16.387 -13.560 493 2HE LYS 59 1HE LYS 59 -15.525 -16.776 -15.285 494 1HZ LYS 59 1HZ LYS 59 -16.055 -14.430 -14.964 495 2HZ LYS 59 2HZ LYS 59 -17.463 -14.852 -14.112 496 3HZ LYS 59 3HZ LYS 59 -17.319 -15.233 -15.762 497 H GLY 60 H GLY 60 -21.213 -20.773 -12.292 498 1HA GLY 60 2HA GLY 60 -18.772 -22.138 -13.357 499 2HA GLY 60 1HA GLY 60 -19.836 -22.871 -12.157 500 H PHE 61 H PHE 61 -21.564 -24.064 -12.883 501 HA PHE 61 HA PHE 61 -22.862 -23.627 -15.451 502 1HB PHE 61 2HB PHE 61 -21.862 -25.512 -16.639 503 2HB PHE 61 1HB PHE 61 -20.526 -24.535 -16.005 504 HD1 PHE 61 HD1 PHE 61 -22.542 -27.616 -15.470 505 HD2 PHE 61 HD2 PHE 61 -19.180 -25.295 -14.168 506 HE1 PHE 61 HE1 PHE 61 -21.853 -29.442 -13.990 507 HE2 PHE 61 HE2 PHE 61 -18.463 -27.147 -12.701 508 HZ PHE 61 HZ PHE 61 -19.799 -29.230 -12.607 509 H ASN 62 H ASN 62 -23.790 -26.030 -16.084 510 HA ASN 62 HA ASN 62 -24.759 -27.353 -13.629 511 1HB ASN 62 2HB ASN 62 -26.728 -26.334 -13.839 512 2HB ASN 62 1HB ASN 62 -26.207 -25.566 -15.335 513 1HD2 ASN 62 1HD2 ASN 62 -27.618 -26.056 -17.021 514 2HD2 ASN 62 2HD2 ASN 62 -28.430 -27.534 -17.222 515 HA PRO 63 HA PRO 63 -25.453 -30.299 -17.372 516 1HB PRO 63 2HB PRO 63 -24.115 -29.700 -19.692 517 2HB PRO 63 1HB PRO 63 -25.791 -29.210 -19.370 518 1HG PRO 63 2HG PRO 63 -23.280 -27.631 -19.132 519 2HG PRO 63 1HG PRO 63 -24.867 -27.141 -19.747 520 1HD PRO 63 2HD PRO 63 -23.988 -26.488 -17.280 521 2HD PRO 63 1HD PRO 63 -25.707 -26.740 -17.641 522 H GLN 64 H GLN 64 -23.802 -30.733 -15.493 523 HA GLN 64 HA GLN 64 -21.689 -32.368 -16.517 524 1HB GLN 64 2HB GLN 64 -21.142 -29.576 -16.177 525 2HB GLN 64 1HB GLN 64 -20.206 -30.469 -14.980 526 1HG GLN 64 2HG GLN 64 -18.893 -31.468 -16.553 527 2HG GLN 64 1HG GLN 64 -20.227 -31.647 -17.694 528 1HE2 GLN 64 1HE2 GLN 64 -19.091 -30.703 -19.504 529 2HE2 GLN 64 2HE2 GLN 64 -18.668 -29.060 -19.548 530 H THR 65 H THR 65 -20.871 -30.783 -13.526 531 HA THR 65 HA THR 65 -21.571 -33.150 -11.976 532 HB THR 65 HB THR 65 -20.605 -31.883 -10.145 533 HG1 THR 65 HG1 THR 65 -21.217 -29.883 -10.121 534 1HG2 THR 65 1HG2 THR 65 -19.060 -32.684 -11.955 535 2HG2 THR 65 2HG2 THR 65 -18.447 -31.292 -11.064 536 3HG2 THR 65 3HG2 THR 65 -19.140 -31.075 -12.670 537 H GLN 66 H GLN 66 -23.315 -30.522 -13.157 538 HA GLN 66 HA GLN 66 -25.546 -29.889 -12.884 539 1HB GLN 66 2HB GLN 66 -25.560 -31.996 -10.699 540 2HB GLN 66 1HB GLN 66 -26.971 -31.294 -11.481 541 1HG GLN 66 2HG GLN 66 -24.851 -32.641 -13.137 542 2HG GLN 66 1HG GLN 66 -26.089 -33.600 -12.329 543 1HE2 GLN 66 1HE2 GLN 66 -25.437 -31.859 -15.172 544 2HE2 GLN 66 2HE2 GLN 66 -27.032 -31.687 -15.725 545 H GLU 67 H GLU 67 -25.063 -27.822 -12.159 546 HA GLU 67 HA GLU 67 -26.057 -26.937 -9.696 547 1HB GLU 67 2HB GLU 67 -24.218 -28.120 -8.641 548 2HB GLU 67 1HB GLU 67 -23.061 -27.449 -9.790 549 1HG GLU 67 2HG GLU 67 -22.973 -25.431 -8.728 550 2HG GLU 67 1HG GLU 67 -24.670 -25.492 -8.252 551 H ALA 68 H ALA 68 -26.523 -25.858 -12.024 552 HA ALA 68 HA ALA 68 -24.687 -23.970 -13.147 553 1HB ALA 68 1HB ALA 68 -27.315 -23.014 -13.414 554 2HB ALA 68 2HB ALA 68 -27.445 -24.769 -13.331 555 3HB ALA 68 3HB ALA 68 -26.420 -24.015 -14.552 556 H LEU 69 H LEU 69 -24.291 -21.831 -12.694 557 HA LEU 69 HA LEU 69 -25.669 -20.634 -10.321 558 1HB LEU 69 2HB LEU 69 -22.702 -20.359 -10.752 559 2HB LEU 69 1HB LEU 69 -23.614 -20.300 -9.243 560 HG LEU 69 HG LEU 69 -24.178 -22.831 -10.008 561 1HD1 LEU 69 1HD1 LEU 69 -21.418 -22.225 -11.090 562 2HD1 LEU 69 2HD1 LEU 69 -22.811 -22.772 -12.019 563 3HD1 LEU 69 3HD1 LEU 69 -22.057 -23.847 -10.846 564 1HD2 LEU 69 1HD2 LEU 69 -23.367 -22.514 -7.846 565 2HD2 LEU 69 2HD2 LEU 69 -21.906 -21.702 -8.411 566 3HD2 LEU 69 3HD2 LEU 69 -22.077 -23.447 -8.603 567 H GLU 70 H GLU 70 -25.494 -18.277 -10.267 568 HA GLU 70 HA GLU 70 -24.407 -16.904 -12.657 569 1HB GLU 70 2HB GLU 70 -26.659 -15.925 -13.155 570 2HB GLU 70 1HB GLU 70 -26.630 -17.677 -13.357 571 1HG GLU 70 2HG GLU 70 -27.274 -17.173 -10.633 572 2HG GLU 70 1HG GLU 70 -28.283 -16.102 -11.605 573 H ILE 71 H ILE 71 -24.351 -16.998 -9.565 574 HA ILE 71 HA ILE 71 -25.324 -14.733 -8.275 575 HB ILE 71 HB ILE 71 -23.016 -15.031 -7.027 576 1HG1 ILE 71 2HG1 ILE 71 -21.711 -16.876 -7.577 577 2HG1 ILE 71 1HG1 ILE 71 -22.936 -17.578 -8.620 578 1HG2 ILE 71 1HG2 ILE 71 -23.865 -17.447 -6.380 579 2HG2 ILE 71 2HG2 ILE 71 -25.261 -16.968 -7.346 580 3HG2 ILE 71 3HG2 ILE 71 -24.793 -16.015 -5.937 581 1HD1 ILE 71 1HD1 ILE 71 -22.546 -15.872 -10.308 582 2HD1 ILE 71 2HD1 ILE 71 -20.990 -16.553 -9.862 583 3HD1 ILE 71 3HD1 ILE 71 -21.476 -14.985 -9.226 584 H ALA 72 H ALA 72 -23.783 -12.780 -7.575 585 HA ALA 72 HA ALA 72 -22.247 -11.800 -9.956 586 1HB ALA 72 1HB ALA 72 -23.991 -9.948 -8.395 587 2HB ALA 72 2HB ALA 72 -24.749 -11.044 -9.551 588 3HB ALA 72 3HB ALA 72 -23.534 -9.888 -10.096 589 HA PRO 73 HA PRO 73 -20.228 -10.490 -5.952 590 1HB PRO 73 2HB PRO 73 -18.931 -12.713 -5.059 591 2HB PRO 73 1HB PRO 73 -20.589 -12.303 -4.588 592 1HG PRO 73 2HG PRO 73 -19.665 -14.470 -6.268 593 2HG PRO 73 1HG PRO 73 -21.265 -14.191 -5.586 594 1HD PRO 73 2HD PRO 73 -20.308 -13.629 -8.285 595 2HD PRO 73 1HD PRO 73 -21.959 -13.662 -7.655 596 H SER 74 H SER 74 -18.539 -9.297 -6.845 597 HA SER 74 HA SER 74 -16.033 -10.595 -7.409 598 1HB SER 74 2HB SER 74 -17.951 -9.977 -9.525 599 2HB SER 74 1HB SER 74 -16.359 -9.321 -9.832 600 HG SER 74 HG SER 74 -17.215 -11.837 -10.019 601 H VAL 75 H VAL 75 -14.425 -9.270 -6.828 602 HA VAL 75 HA VAL 75 -13.704 -6.783 -7.664 603 HB VAL 75 HB VAL 75 -15.920 -6.523 -5.881 604 1HG1 VAL 75 1HG1 VAL 75 -14.947 -4.562 -4.612 605 2HG1 VAL 75 2HG1 VAL 75 -13.360 -5.114 -5.143 606 3HG1 VAL 75 3HG1 VAL 75 -14.344 -6.136 -4.094 607 1HG2 VAL 75 1HG2 VAL 75 -16.215 -4.515 -6.999 608 2HG2 VAL 75 2HG2 VAL 75 -15.268 -5.426 -8.175 609 3HG2 VAL 75 3HG2 VAL 75 -14.478 -4.243 -7.136 610 H GLY 76 H GLY 76 -11.723 -6.598 -7.123 611 1HA GLY 76 2HA GLY 76 -10.829 -7.601 -4.453 612 2HA GLY 76 1HA GLY 76 -10.030 -8.195 -5.909 613 H VAL 77 H VAL 77 -10.283 -5.601 -3.682 614 HA VAL 77 HA VAL 77 -9.031 -3.484 -5.129 615 HB VAL 77 HB VAL 77 -10.063 -3.010 -3.023 616 1HG1 VAL 77 1HG1 VAL 77 -8.868 -4.218 -0.934 617 2HG1 VAL 77 2HG1 VAL 77 -8.616 -5.468 -2.152 618 3HG1 VAL 77 3HG1 VAL 77 -10.250 -4.929 -1.769 619 1HG2 VAL 77 1HG2 VAL 77 -7.648 -2.061 -3.457 620 2HG2 VAL 77 2HG2 VAL 77 -7.210 -3.096 -2.100 621 3HG2 VAL 77 3HG2 VAL 77 -8.411 -1.833 -1.889 622 H SER 78 H SER 78 -7.432 -4.675 -6.394 623 HA SER 78 HA SER 78 -5.280 -6.170 -5.244 624 1HB SER 78 2HB SER 78 -6.173 -5.303 -7.770 625 2HB SER 78 1HB SER 78 -4.536 -4.672 -7.618 626 HG SER 78 HG SER 78 -5.450 -7.272 -7.802 627 H VAL 79 H VAL 79 -2.938 -5.307 -5.586 628 HA VAL 79 HA VAL 79 -2.206 -2.573 -5.289 629 HB VAL 79 HB VAL 79 -3.246 -2.388 -3.197 630 1HG1 VAL 79 1HG1 VAL 79 -2.987 -4.492 -1.567 631 2HG1 VAL 79 2HG1 VAL 79 -2.835 -5.342 -3.105 632 3HG1 VAL 79 3HG1 VAL 79 -4.283 -4.395 -2.759 633 1HG2 VAL 79 1HG2 VAL 79 -1.599 -2.660 -1.399 634 2HG2 VAL 79 2HG2 VAL 79 -0.813 -2.015 -2.836 635 3HG2 VAL 79 3HG2 VAL 79 -0.629 -3.717 -2.421 636 H LYS 80 H LYS 80 0.180 -2.515 -4.297 637 HA LYS 80 HA LYS 80 1.646 -4.914 -3.904 638 1HB LYS 80 2HB LYS 80 0.943 -4.218 -6.639 639 2HB LYS 80 1HB LYS 80 2.695 -4.262 -6.440 640 1HG LYS 80 2HG LYS 80 2.728 -6.507 -6.024 641 2HG LYS 80 1HG LYS 80 1.176 -6.483 -5.189 642 1HD LYS 80 2HD LYS 80 -0.035 -6.401 -7.258 643 2HD LYS 80 1HD LYS 80 1.439 -6.097 -8.178 644 1HE LYS 80 2HE LYS 80 1.180 -8.608 -6.523 645 2HE LYS 80 1HE LYS 80 0.509 -8.531 -8.165 646 1HZ LYS 80 1HZ LYS 80 2.617 -7.864 -9.023 647 2HZ LYS 80 2HZ LYS 80 2.871 -9.258 -8.087 648 3HZ LYS 80 3HZ LYS 80 3.284 -7.730 -7.469 649 HA PRO 81 HA PRO 81 4.877 -1.807 -3.525 650 1HB PRO 81 2HB PRO 81 6.899 -3.561 -2.996 651 2HB PRO 81 1HB PRO 81 5.572 -3.280 -1.850 652 1HG PRO 81 2HG PRO 81 6.149 -5.647 -3.424 653 2HG PRO 81 1HG PRO 81 4.985 -5.437 -2.109 654 1HD PRO 81 2HD PRO 81 4.526 -5.353 -5.009 655 2HD PRO 81 1HD PRO 81 3.357 -5.544 -3.683 656 H GLY 82 H GLY 82 6.302 -0.828 -5.034 657 1HA GLY 82 2HA GLY 82 7.047 -2.436 -7.427 658 2HA GLY 82 1HA GLY 82 7.106 -0.675 -7.328 659 H GLU 83 H GLU 83 9.348 -2.214 -8.194 660 HA GLU 83 HA GLU 83 11.211 -2.869 -6.165 661 1HB GLU 83 2HB GLU 83 12.886 -2.445 -7.969 662 2HB GLU 83 1HB GLU 83 11.533 -3.450 -8.484 663 1HG GLU 83 2HG GLU 83 10.987 -0.604 -8.864 664 2HG GLU 83 1HG GLU 83 12.420 -1.126 -9.749 665 H SER 84 H SER 84 10.155 0.276 -7.302 666 HA SER 84 HA SER 84 12.320 1.937 -6.581 667 1HB SER 84 2HB SER 84 10.365 2.852 -7.628 668 2HB SER 84 1HB SER 84 9.309 2.213 -6.372 669 HG SER 84 HG SER 84 11.326 4.185 -6.013 670 H LEU 85 H LEU 85 9.987 0.222 -4.609 671 HA LEU 85 HA LEU 85 10.823 1.456 -2.073 672 1HB LEU 85 2HB LEU 85 8.627 0.016 -3.130 673 2HB LEU 85 1HB LEU 85 9.342 -1.043 -1.917 674 HG LEU 85 HG LEU 85 8.592 1.851 -1.442 675 1HD1 LEU 85 1HD1 LEU 85 6.858 -0.284 -1.697 676 2HD1 LEU 85 2HD1 LEU 85 6.533 1.187 -0.779 677 3HD1 LEU 85 3HD1 LEU 85 7.165 -0.239 0.039 678 1HD2 LEU 85 1HD2 LEU 85 8.798 0.769 0.993 679 2HD2 LEU 85 2HD2 LEU 85 10.199 1.446 0.163 680 3HD2 LEU 85 3HD2 LEU 85 9.920 -0.294 0.146 681 H LYS 86 H LYS 86 11.473 -1.449 -3.960 682 HA LYS 86 HA LYS 86 12.980 -2.739 -1.813 683 1HB LYS 86 2HB LYS 86 11.869 -3.361 -4.403 684 2HB LYS 86 1HB LYS 86 13.559 -3.862 -4.358 685 1HG LYS 86 2HG LYS 86 13.207 -5.366 -2.610 686 2HG LYS 86 1HG LYS 86 11.770 -4.518 -2.037 687 1HD LYS 86 2HD LYS 86 10.501 -5.277 -3.982 688 2HD LYS 86 1HD LYS 86 11.940 -6.049 -4.649 689 1HE LYS 86 2HE LYS 86 11.902 -7.212 -2.197 690 2HE LYS 86 1HE LYS 86 10.163 -6.963 -2.451 691 1HZ LYS 86 1HZ LYS 86 10.798 -9.024 -3.477 692 2HZ LYS 86 2HZ LYS 86 12.063 -8.272 -4.324 693 3HZ LYS 86 3HZ LYS 86 10.448 -7.904 -4.701 694 H LYS 87 H LYS 87 13.644 -0.739 -4.607 695 HA LYS 87 HA LYS 87 16.509 -1.121 -4.584 696 1HB LYS 87 2HB LYS 87 15.303 -0.288 -6.553 697 2HB LYS 87 1HB LYS 87 14.678 1.075 -5.625 698 1HG LYS 87 2HG LYS 87 17.583 0.925 -5.459 699 2HG LYS 87 1HG LYS 87 17.039 1.037 -7.133 700 1HD LYS 87 2HD LYS 87 15.921 3.082 -6.760 701 2HD LYS 87 1HD LYS 87 15.909 2.857 -5.011 702 1HE LYS 87 2HE LYS 87 18.029 3.687 -4.767 703 2HE LYS 87 1HE LYS 87 18.603 2.915 -6.259 704 1HZ LYS 87 1HZ LYS 87 18.362 5.400 -6.373 705 2HZ LYS 87 2HZ LYS 87 16.683 5.175 -6.245 706 3HZ LYS 87 3HZ LYS 87 17.530 4.538 -7.573 707 H ALA 88 H ALA 88 14.190 1.132 -3.150 708 HA ALA 88 HA ALA 88 16.111 2.819 -1.821 709 1HB ALA 88 1HB ALA 88 13.375 2.010 -0.796 710 2HB ALA 88 2HB ALA 88 13.550 3.080 -2.188 711 3HB ALA 88 3HB ALA 88 14.182 3.568 -0.616 712 H ALA 89 H ALA 89 14.477 -0.228 -1.129 713 HA ALA 89 HA ALA 89 15.271 -0.661 1.549 714 1HB ALA 89 1HB ALA 89 14.537 -2.825 1.139 715 2HB ALA 89 2HB ALA 89 15.335 -2.906 -0.430 716 3HB ALA 89 3HB ALA 89 13.829 -2.006 -0.250 717 H GLU 90 H GLU 90 17.045 -1.347 -1.466 718 HA GLU 90 HA GLU 90 19.342 -2.564 -0.314 719 1HB GLU 90 2HB GLU 90 20.187 -2.300 -2.452 720 2HB GLU 90 1HB GLU 90 18.516 -1.886 -2.814 721 1HG GLU 90 2HG GLU 90 19.654 -0.091 -3.771 722 2HG GLU 90 1HG GLU 90 19.288 0.555 -2.175 723 H GLY 91 H GLY 91 18.203 0.736 -0.473 724 1HA GLY 91 2HA GLY 91 20.580 2.075 0.423 725 2HA GLY 91 1HA GLY 91 18.937 2.699 0.583 726 H LEU 92 H LEU 92 17.784 0.675 2.256 727 HA LEU 92 HA LEU 92 18.802 1.492 4.844 728 1HB LEU 92 2HB LEU 92 16.846 0.487 5.571 729 2HB LEU 92 1HB LEU 92 16.454 0.637 3.866 730 HG LEU 92 HG LEU 92 17.692 -1.741 3.771 731 1HD1 LEU 92 1HD1 LEU 92 16.242 -2.426 6.189 732 2HD1 LEU 92 2HD1 LEU 92 17.501 -1.244 6.546 733 3HD1 LEU 92 3HD1 LEU 92 17.920 -2.771 5.770 734 1HD2 LEU 92 1HD2 LEU 92 14.895 -0.861 4.148 735 2HD2 LEU 92 2HD2 LEU 92 15.186 -2.564 4.495 736 3HD2 LEU 92 3HD2 LEU 92 15.589 -1.907 2.911 737 H LYS 93 H LYS 93 20.319 -0.503 2.755 738 HA LYS 93 HA LYS 93 21.956 -2.182 3.041 739 1HB LYS 93 2HB LYS 93 21.460 -1.781 6.015 740 2HB LYS 93 1HB LYS 93 22.919 -2.401 5.250 741 1HG LYS 93 2HG LYS 93 21.845 0.406 4.847 742 2HG LYS 93 1HG LYS 93 23.138 -0.016 5.969 743 1HD LYS 93 2HD LYS 93 24.127 -1.184 3.768 744 2HD LYS 93 1HD LYS 93 23.170 0.077 2.990 745 1HE LYS 93 2HE LYS 93 24.821 0.947 5.311 746 2HE LYS 93 1HE LYS 93 25.701 0.513 3.831 747 1HZ LYS 93 1HZ LYS 93 25.028 2.805 3.691 748 2HZ LYS 93 2HZ LYS 93 23.415 2.402 4.042 749 3HZ LYS 93 3HZ LYS 93 24.120 1.903 2.579 750 H TYR 94 H TYR 94 19.439 -2.905 2.429 751 HA TYR 94 HA TYR 94 17.740 -4.450 3.849 752 1HB TYR 94 2HB TYR 94 17.119 -4.852 1.723 753 2HB TYR 94 1HB TYR 94 18.672 -4.241 1.165 754 HD1 TYR 94 HD1 TYR 94 17.066 -7.293 2.586 755 HD2 TYR 94 HD2 TYR 94 20.172 -5.669 0.115 756 HE1 TYR 94 HE1 TYR 94 17.745 -9.595 1.939 757 HE2 TYR 94 HE2 TYR 94 20.855 -7.969 -0.540 758 HH TYR 94 HH TYR 94 19.945 -10.197 -0.642 759 H GLU 95 H GLU 95 21.015 -5.509 2.932 760 HA GLU 95 HA GLU 95 20.795 -8.201 3.915 761 1HB GLU 95 2HB GLU 95 23.121 -6.305 3.511 762 2HB GLU 95 1HB GLU 95 23.317 -8.015 3.896 763 1HG GLU 95 2HG GLU 95 21.736 -8.404 1.857 764 2HG GLU 95 1HG GLU 95 22.193 -6.763 1.402 765 H ASP 96 H ASP 96 22.066 -5.217 5.409 766 HA ASP 96 HA ASP 96 22.893 -6.234 7.906 767 1HB ASP 96 2HB ASP 96 21.725 -3.649 6.902 768 2HB ASP 96 1HB ASP 96 22.008 -3.846 8.632 769 H PHE 97 H PHE 97 19.669 -5.454 6.703 770 HA PHE 97 HA PHE 97 18.306 -5.942 9.246 771 1HB PHE 97 2HB PHE 97 17.763 -4.743 6.790 772 2HB PHE 97 1HB PHE 97 16.771 -6.200 6.753 773 HD1 PHE 97 HD1 PHE 97 17.666 -3.325 8.985 774 HD2 PHE 97 HD2 PHE 97 14.708 -6.230 7.860 775 HE1 PHE 97 HE1 PHE 97 16.030 -2.249 10.507 776 HE2 PHE 97 HE2 PHE 97 13.072 -5.154 9.381 777 HZ PHE 97 HZ PHE 97 13.733 -3.163 10.705 778 H ALA 98 H ALA 98 19.265 -7.780 6.421 779 HA ALA 98 HA ALA 98 17.633 -10.086 6.649 780 1HB ALA 98 1HB ALA 98 19.365 -9.297 4.878 781 2HB ALA 98 2HB ALA 98 19.248 -11.030 5.183 782 3HB ALA 98 3HB ALA 98 20.560 -10.095 5.900 783 H LYS 99 H LYS 99 20.636 -9.200 8.309 784 HA LYS 99 HA LYS 99 20.271 -11.584 10.101 785 1HB LYS 99 2HB LYS 99 22.789 -10.179 9.148 786 2HB LYS 99 1HB LYS 99 22.757 -11.535 10.275 787 1HG LYS 99 2HG LYS 99 22.772 -12.939 8.517 788 2HG LYS 99 1HG LYS 99 21.184 -12.323 8.059 789 1HD LYS 99 2HD LYS 99 22.435 -10.390 6.924 790 2HD LYS 99 1HD LYS 99 23.893 -11.363 7.126 791 1HE LYS 99 2HE LYS 99 21.400 -12.469 5.802 792 2HE LYS 99 1HE LYS 99 22.688 -11.658 4.886 793 1HZ LYS 99 1HZ LYS 99 23.140 -13.899 6.784 794 2HZ LYS 99 2HZ LYS 99 24.294 -13.176 5.766 795 3HZ LYS 99 3HZ LYS 99 23.026 -14.091 5.102 796 1H MET 1 1H MET 1 -5.654 6.596 -11.545 797 2H MET 1 2H MET 1 -6.873 6.930 -10.409 798 3H MET 1 3H MET 1 -5.550 5.954 -9.979 799 HA MET 1 HA MET 1 -5.282 8.805 -10.771 800 1HB MET 1 2HB MET 1 -6.021 7.408 -8.241 801 2HB MET 1 1HB MET 1 -4.911 8.772 -8.108 802 1HG MET 1 2HG MET 1 -6.490 10.304 -8.768 803 2HG MET 1 1HG MET 1 -7.297 9.164 -9.844 804 1HE MET 1 1HE MET 1 -6.614 9.106 -5.708 805 2HE MET 1 2HE MET 1 -7.974 10.215 -5.552 806 3HE MET 1 3HE MET 1 -6.642 10.615 -6.632 807 H ASN 2 H ASN 2 -3.208 9.388 -9.065 808 HA ASN 2 HA ASN 2 -1.179 7.373 -8.826 809 1HB ASN 2 2HB ASN 2 0.248 8.181 -10.738 810 2HB ASN 2 1HB ASN 2 -1.244 7.396 -11.253 811 1HD2 ASN 2 1HD2 ASN 2 -2.105 8.539 -12.991 812 2HD2 ASN 2 2HD2 ASN 2 -2.156 10.232 -13.115 813 H LYS 3 H LYS 3 1.144 8.690 -8.937 814 HA LYS 3 HA LYS 3 1.258 10.354 -6.675 815 1HB LYS 3 2HB LYS 3 2.967 9.523 -8.871 816 2HB LYS 3 1HB LYS 3 3.327 11.184 -8.403 817 1HG LYS 3 2HG LYS 3 2.947 9.586 -6.028 818 2HG LYS 3 1HG LYS 3 4.127 8.802 -7.075 819 1HD LYS 3 2HD LYS 3 5.060 11.298 -7.276 820 2HD LYS 3 1HD LYS 3 4.275 11.458 -5.708 821 1HE LYS 3 2HE LYS 3 6.146 10.517 -4.794 822 2HE LYS 3 1HE LYS 3 5.676 8.999 -5.581 823 1HZ LYS 3 1HZ LYS 3 7.432 11.138 -6.622 824 2HZ LYS 3 2HZ LYS 3 6.681 10.030 -7.669 825 3HZ LYS 3 3HZ LYS 3 7.761 9.482 -6.477 826 H THR 4 H THR 4 -0.072 11.201 -9.728 827 HA THR 4 HA THR 4 0.180 14.130 -9.088 828 HB THR 4 HB THR 4 -0.247 12.612 -11.688 829 HG1 THR 4 HG1 THR 4 1.852 14.261 -10.732 830 1HG2 THR 4 1HG2 THR 4 -1.384 14.511 -12.256 831 2HG2 THR 4 2HG2 THR 4 0.242 15.168 -12.444 832 3HG2 THR 4 3HG2 THR 4 -0.658 15.456 -10.956 833 H GLU 5 H GLU 5 -2.008 11.594 -10.283 834 HA GLU 5 HA GLU 5 -4.394 13.188 -10.280 835 1HB GLU 5 2HB GLU 5 -3.579 10.577 -10.915 836 2HB GLU 5 1HB GLU 5 -4.771 10.376 -9.636 837 1HG GLU 5 2HG GLU 5 -6.472 10.934 -11.008 838 2HG GLU 5 1HG GLU 5 -5.624 12.371 -11.578 839 H LEU 6 H LEU 6 -3.054 10.892 -7.880 840 HA LEU 6 HA LEU 6 -5.001 11.402 -5.832 841 1HB LEU 6 2HB LEU 6 -2.168 10.370 -5.961 842 2HB LEU 6 1HB LEU 6 -2.943 10.606 -4.396 843 HG LEU 6 HG LEU 6 -4.697 9.233 -6.279 844 1HD1 LEU 6 1HD1 LEU 6 -3.455 7.420 -6.896 845 2HD1 LEU 6 2HD1 LEU 6 -2.518 7.429 -5.402 846 3HD1 LEU 6 3HD1 LEU 6 -2.101 8.535 -6.711 847 1HD2 LEU 6 1HD2 LEU 6 -5.409 8.333 -4.327 848 2HD2 LEU 6 2HD2 LEU 6 -4.271 9.414 -3.525 849 3HD2 LEU 6 3HD2 LEU 6 -3.791 7.764 -3.920 850 H ILE 7 H ILE 7 -2.110 13.100 -6.879 851 HA ILE 7 HA ILE 7 -1.631 14.764 -4.631 852 HB ILE 7 HB ILE 7 -1.135 14.722 -7.545 853 1HG1 ILE 7 2HG1 ILE 7 0.438 15.511 -5.097 854 2HG1 ILE 7 1HG1 ILE 7 0.546 14.000 -5.985 855 1HG2 ILE 7 1HG2 ILE 7 -1.635 17.282 -6.110 856 2HG2 ILE 7 2HG2 ILE 7 -1.838 16.894 -7.814 857 3HG2 ILE 7 3HG2 ILE 7 -0.233 17.223 -7.172 858 1HD1 ILE 7 1HD1 ILE 7 1.210 15.389 -8.020 859 2HD1 ILE 7 2HD1 ILE 7 2.403 15.299 -6.725 860 3HD1 ILE 7 3HD1 ILE 7 1.404 16.741 -6.906 861 H LYS 8 H LYS 8 -3.542 15.476 -7.542 862 HA LYS 8 HA LYS 8 -4.859 17.785 -6.546 863 1HB LYS 8 2HB LYS 8 -5.756 17.704 -8.641 864 2HB LYS 8 1HB LYS 8 -4.764 16.269 -8.885 865 1HG LYS 8 2HG LYS 8 -6.663 14.897 -7.941 866 2HG LYS 8 1HG LYS 8 -7.647 16.360 -7.955 867 1HD LYS 8 2HD LYS 8 -8.193 15.749 -10.070 868 2HD LYS 8 1HD LYS 8 -6.594 16.354 -10.500 869 1HE LYS 8 2HE LYS 8 -5.813 14.262 -10.926 870 2HE LYS 8 1HE LYS 8 -6.537 13.605 -9.445 871 1HZ LYS 8 1HZ LYS 8 -8.676 13.575 -10.485 872 2HZ LYS 8 2HZ LYS 8 -7.592 12.759 -11.507 873 3HZ LYS 8 3HZ LYS 8 -8.080 14.344 -11.874 874 H ALA 9 H ALA 9 -5.486 14.327 -6.087 875 HA ALA 9 HA ALA 9 -8.150 14.476 -5.066 876 1HB ALA 9 1HB ALA 9 -7.693 12.289 -4.344 877 2HB ALA 9 2HB ALA 9 -6.022 12.674 -3.934 878 3HB ALA 9 3HB ALA 9 -6.500 12.506 -5.623 879 H ILE 10 H ILE 10 -4.982 15.056 -3.543 880 HA ILE 10 HA ILE 10 -6.246 15.617 -0.940 881 HB ILE 10 HB ILE 10 -3.579 15.055 -2.120 882 1HG1 ILE 10 2HG1 ILE 10 -3.200 13.957 0.003 883 2HG1 ILE 10 1HG1 ILE 10 -4.602 14.755 0.713 884 1HG2 ILE 10 1HG2 ILE 10 -3.090 17.335 -1.467 885 2HG2 ILE 10 2HG2 ILE 10 -2.351 16.255 -0.286 886 3HG2 ILE 10 3HG2 ILE 10 -3.851 17.095 0.105 887 1HD1 ILE 10 1HD1 ILE 10 -4.794 12.285 -0.232 888 2HD1 ILE 10 2HD1 ILE 10 -4.991 13.126 -1.770 889 3HD1 ILE 10 3HD1 ILE 10 -6.116 13.431 -0.446 890 H ALA 11 H ALA 11 -4.734 17.136 -3.728 891 HA ALA 11 HA ALA 11 -4.682 19.808 -2.648 892 1HB ALA 11 1HB ALA 11 -3.766 20.190 -4.720 893 2HB ALA 11 2HB ALA 11 -5.131 19.442 -5.549 894 3HB ALA 11 3HB ALA 11 -3.833 18.438 -4.904 895 H GLN 12 H GLN 12 -7.227 17.712 -3.458 896 HA GLN 12 HA GLN 12 -9.132 19.987 -3.742 897 1HB GLN 12 2HB GLN 12 -9.168 18.737 -5.767 898 2HB GLN 12 1HB GLN 12 -8.983 17.207 -4.919 899 1HG GLN 12 2HG GLN 12 -11.206 16.953 -4.707 900 2HG GLN 12 1HG GLN 12 -11.398 18.587 -4.072 901 1HE2 GLN 12 1HE2 GLN 12 -11.691 16.605 -6.933 902 2HE2 GLN 12 2HE2 GLN 12 -12.228 17.834 -7.973 903 H ASP 13 H ASP 13 -8.656 16.710 -2.336 904 HA ASP 13 HA ASP 13 -11.064 16.787 -0.706 905 1HB ASP 13 2HB ASP 13 -8.403 15.331 -0.556 906 2HB ASP 13 1HB ASP 13 -9.686 15.066 0.624 907 H THR 14 H THR 14 -7.725 17.728 -0.388 908 HA THR 14 HA THR 14 -8.076 18.895 2.298 909 HB THR 14 HB THR 14 -5.555 19.385 0.903 910 HG1 THR 14 HG1 THR 14 -6.476 16.702 0.992 911 1HG2 THR 14 1HG2 THR 14 -5.473 17.225 2.800 912 2HG2 THR 14 2HG2 THR 14 -6.479 18.529 3.428 913 3HG2 THR 14 3HG2 THR 14 -4.811 18.850 2.949 914 H GLY 15 H GLY 15 -6.420 20.222 -0.563 915 1HA GLY 15 2HA GLY 15 -6.801 22.195 -1.799 916 2HA GLY 15 1HA GLY 15 -8.389 22.299 -1.043 917 H LEU 16 H LEU 16 -6.074 21.955 1.307 918 HA LEU 16 HA LEU 16 -6.469 24.451 2.563 919 1HB LEU 16 2HB LEU 16 -4.202 22.447 2.580 920 2HB LEU 16 1HB LEU 16 -4.300 23.793 3.720 921 HG LEU 16 HG LEU 16 -6.779 22.843 3.972 922 1HD1 LEU 16 1HD1 LEU 16 -6.972 20.941 2.798 923 2HD1 LEU 16 2HD1 LEU 16 -6.101 20.224 4.139 924 3HD1 LEU 16 3HD1 LEU 16 -5.232 20.713 2.688 925 1HD2 LEU 16 1HD2 LEU 16 -5.999 22.532 6.090 926 2HD2 LEU 16 2HD2 LEU 16 -4.371 22.787 5.463 927 3HD2 LEU 16 3HD2 LEU 16 -5.031 21.157 5.567 928 H THR 17 H THR 17 -3.375 23.499 1.172 929 HA THR 17 HA THR 17 -3.101 26.175 -0.097 930 HB THR 17 HB THR 17 -2.053 25.473 2.347 931 HG1 THR 17 HG1 THR 17 -2.027 27.552 1.605 932 1HG2 THR 17 1HG2 THR 17 0.063 24.923 0.250 933 2HG2 THR 17 2HG2 THR 17 -0.578 23.789 1.436 934 3HG2 THR 17 3HG2 THR 17 0.388 25.160 1.961 935 H GLN 18 H GLN 18 -3.218 22.959 -0.588 936 HA GLN 18 HA GLN 18 -2.289 21.504 -2.192 937 1HB GLN 18 2HB GLN 18 -1.102 24.019 -3.412 938 2HB GLN 18 1HB GLN 18 -1.605 22.550 -4.246 939 1HG GLN 18 2HG GLN 18 -3.960 23.179 -3.158 940 2HG GLN 18 1HG GLN 18 -3.268 24.801 -3.203 941 1HE2 GLN 18 1HE2 GLN 18 -5.078 25.132 -4.888 942 2HE2 GLN 18 2HE2 GLN 18 -4.738 24.710 -6.496 943 H VAL 19 H VAL 19 -0.952 22.618 0.240 944 HA VAL 19 HA VAL 19 1.372 23.158 0.914 945 HB VAL 19 HB VAL 19 0.607 21.420 2.239 946 1HG1 VAL 19 1HG1 VAL 19 0.235 19.062 1.172 947 2HG1 VAL 19 2HG1 VAL 19 0.162 19.969 -0.339 948 3HG1 VAL 19 3HG1 VAL 19 -0.978 20.324 0.958 949 1HG2 VAL 19 1HG2 VAL 19 3.149 20.879 1.144 950 2HG2 VAL 19 2HG2 VAL 19 2.307 19.336 1.175 951 3HG2 VAL 19 3HG2 VAL 19 2.488 20.270 2.657 952 H SER 20 H SER 20 2.098 20.156 -0.568 953 HA SER 20 HA SER 20 3.763 21.423 -2.630 954 1HB SER 20 2HB SER 20 4.532 20.105 -0.188 955 2HB SER 20 1HB SER 20 5.084 19.153 -1.554 956 HG SER 20 HG SER 20 6.600 20.759 -0.976 957 H VAL 21 H VAL 21 1.108 19.899 -2.326 958 HA VAL 21 HA VAL 21 0.633 17.428 -2.857 959 HB VAL 21 HB VAL 21 -0.601 18.064 -4.957 960 1HG1 VAL 21 1HG1 VAL 21 -1.498 18.453 -2.657 961 2HG1 VAL 21 2HG1 VAL 21 -2.093 19.621 -3.838 962 3HG1 VAL 21 3HG1 VAL 21 -0.817 20.079 -2.710 963 1HG2 VAL 21 1HG2 VAL 21 0.954 19.638 -5.935 964 2HG2 VAL 21 2HG2 VAL 21 0.885 20.662 -4.501 965 3HG2 VAL 21 3HG2 VAL 21 -0.527 20.513 -5.546 966 H SER 22 H SER 22 2.651 19.321 -4.961 967 HA SER 22 HA SER 22 3.363 17.064 -6.717 968 1HB SER 22 2HB SER 22 3.475 19.236 -7.676 969 2HB SER 22 1HB SER 22 4.316 19.896 -6.276 970 HG SER 22 HG SER 22 5.369 18.937 -8.483 971 H LYS 23 H LYS 23 4.863 18.805 -4.022 972 HA LYS 23 HA LYS 23 7.110 16.889 -3.957 973 1HB LYS 23 2HB LYS 23 6.386 19.510 -2.710 974 2HB LYS 23 1HB LYS 23 7.656 18.535 -1.979 975 1HG LYS 23 2HG LYS 23 9.012 19.559 -3.474 976 2HG LYS 23 1HG LYS 23 8.314 18.434 -4.639 977 1HD LYS 23 2HD LYS 23 8.194 20.769 -5.459 978 2HD LYS 23 1HD LYS 23 6.587 20.083 -5.225 979 1HE LYS 23 2HE LYS 23 6.064 21.652 -3.669 980 2HE LYS 23 1HE LYS 23 7.578 21.369 -2.788 981 1HZ LYS 23 1HZ LYS 23 7.496 23.601 -3.784 982 2HZ LYS 23 2HZ LYS 23 7.347 22.903 -5.325 983 3HZ LYS 23 3HZ LYS 23 8.764 22.670 -4.417 984 H MET 24 H MET 24 4.073 17.602 -2.242 985 HA MET 24 HA MET 24 4.643 16.238 0.170 986 1HB MET 24 2HB MET 24 2.845 17.869 -0.312 987 2HB MET 24 1HB MET 24 2.111 16.728 -1.423 988 1HG MET 24 2HG MET 24 2.689 15.895 1.372 989 2HG MET 24 1HG MET 24 1.282 16.903 1.044 990 1HE MET 24 1HE MET 24 1.450 15.300 -2.230 991 2HE MET 24 2HE MET 24 0.294 16.394 -1.475 992 3HE MET 24 3HE MET 24 -0.220 14.786 -1.965 993 H LEU 25 H LEU 25 3.313 15.181 -3.020 994 HA LEU 25 HA LEU 25 3.118 12.395 -2.091 995 1HB LEU 25 2HB LEU 25 2.665 13.907 -4.652 996 2HB LEU 25 1HB LEU 25 2.754 12.149 -4.687 997 HG LEU 25 HG LEU 25 0.691 13.924 -3.455 998 1HD1 LEU 25 1HD1 LEU 25 0.820 12.066 -5.560 999 2HD1 LEU 25 2HD1 LEU 25 -0.632 12.832 -4.920 1000 3HD1 LEU 25 3HD1 LEU 25 -0.117 11.265 -4.301 1001 1HD2 LEU 25 1HD2 LEU 25 -0.098 11.927 -2.092 1002 2HD2 LEU 25 2HD2 LEU 25 1.367 12.696 -1.488 1003 3HD2 LEU 25 3HD2 LEU 25 1.475 11.191 -2.396 1004 H ALA 26 H ALA 26 5.244 14.332 -4.212 1005 HA ALA 26 HA ALA 26 7.004 12.236 -5.025 1006 1HB ALA 26 1HB ALA 26 8.547 14.085 -5.468 1007 2HB ALA 26 2HB ALA 26 7.652 15.130 -4.368 1008 3HB ALA 26 3HB ALA 26 6.914 14.603 -5.880 1009 H SER 27 H SER 27 6.757 14.162 -2.083 1010 HA SER 27 HA SER 27 9.192 13.030 -0.883 1011 1HB SER 27 2HB SER 27 6.910 14.741 0.157 1012 2HB SER 27 1HB SER 27 8.332 14.321 1.103 1013 HG SER 27 HG SER 27 8.024 16.123 -0.956 1014 H PHE 28 H PHE 28 5.681 12.630 -0.731 1015 HA PHE 28 HA PHE 28 5.418 10.839 1.447 1016 1HB PHE 28 2HB PHE 28 3.435 11.611 0.465 1017 2HB PHE 28 1HB PHE 28 4.042 11.362 -1.163 1018 HD1 PHE 28 HD1 PHE 28 2.187 9.922 1.590 1019 HD2 PHE 28 HD2 PHE 28 4.197 8.976 -2.090 1020 HE1 PHE 28 HE1 PHE 28 0.924 7.820 1.442 1021 HE2 PHE 28 HE2 PHE 28 2.936 6.870 -2.226 1022 HZ PHE 28 HZ PHE 28 1.299 6.276 -0.456 1023 H GLU 29 H GLU 29 6.100 10.133 -1.991 1024 HA GLU 29 HA GLU 29 6.503 7.312 -1.545 1025 1HB GLU 29 2HB GLU 29 6.055 8.469 -3.741 1026 2HB GLU 29 1HB GLU 29 7.691 9.135 -3.659 1027 1HG GLU 29 2HG GLU 29 7.938 6.395 -3.071 1028 2HG GLU 29 1HG GLU 29 6.847 6.504 -4.443 1029 H LYS 30 H LYS 30 8.466 10.224 -1.453 1030 HA LYS 30 HA LYS 30 11.024 8.958 -1.153 1031 1HB LYS 30 2HB LYS 30 10.404 11.408 -1.707 1032 2HB LYS 30 1HB LYS 30 10.180 11.609 0.033 1033 1HG LYS 30 2HG LYS 30 12.456 10.974 0.481 1034 2HG LYS 30 1HG LYS 30 12.709 10.490 -1.197 1035 1HD LYS 30 2HD LYS 30 13.602 12.595 -1.361 1036 2HD LYS 30 1HD LYS 30 11.910 13.048 -1.580 1037 1HE LYS 30 2HE LYS 30 11.750 13.983 0.524 1038 2HE LYS 30 1HE LYS 30 12.904 12.837 1.233 1039 1HZ LYS 30 1HZ LYS 30 14.647 13.907 -0.148 1040 2HZ LYS 30 2HZ LYS 30 13.993 14.939 1.032 1041 3HZ LYS 30 3HZ LYS 30 13.524 15.097 -0.593 1042 H ILE 31 H ILE 31 8.306 9.411 0.988 1043 HA ILE 31 HA ILE 31 10.058 8.616 3.263 1044 HB ILE 31 HB ILE 31 7.899 9.241 4.540 1045 1HG1 ILE 31 2HG1 ILE 31 7.200 11.413 2.935 1046 2HG1 ILE 31 1HG1 ILE 31 7.175 10.009 1.883 1047 1HG2 ILE 31 1HG2 ILE 31 8.722 11.692 4.417 1048 2HG2 ILE 31 2HG2 ILE 31 9.909 11.072 3.269 1049 3HG2 ILE 31 3HG2 ILE 31 9.876 10.458 4.922 1050 1HD1 ILE 31 1HD1 ILE 31 5.237 9.356 2.790 1051 2HD1 ILE 31 2HD1 ILE 31 5.285 10.728 3.895 1052 3HD1 ILE 31 3HD1 ILE 31 6.039 9.202 4.352 1053 H ILE 32 H ILE 32 7.446 7.669 1.245 1054 HA ILE 32 HA ILE 32 6.628 5.390 2.870 1055 HB ILE 32 HB ILE 32 6.267 6.020 -0.081 1056 1HG1 ILE 32 2HG1 ILE 32 5.266 7.428 2.105 1057 2HG1 ILE 32 1HG1 ILE 32 4.570 7.427 0.486 1058 1HG2 ILE 32 1HG2 ILE 32 4.283 4.459 0.212 1059 2HG2 ILE 32 2HG2 ILE 32 4.959 4.016 1.780 1060 3HG2 ILE 32 3HG2 ILE 32 5.865 3.685 0.303 1061 1HD1 ILE 32 1HD1 ILE 32 3.857 5.392 2.603 1062 2HD1 ILE 32 2HD1 ILE 32 3.051 5.656 1.057 1063 3HD1 ILE 32 3HD1 ILE 32 2.941 6.872 2.330 1064 H THR 33 H THR 33 8.244 5.744 -0.260 1065 HA THR 33 HA THR 33 9.258 3.074 -0.226 1066 HB THR 33 HB THR 33 9.124 5.385 -1.949 1067 HG1 THR 33 HG1 THR 33 9.312 3.748 -3.515 1068 1HG2 THR 33 1HG2 THR 33 11.497 5.671 -1.564 1069 2HG2 THR 33 2HG2 THR 33 11.249 5.002 -3.178 1070 3HG2 THR 33 3HG2 THR 33 11.781 3.956 -1.860 1071 H GLU 34 H GLU 34 10.495 6.258 0.786 1072 HA GLU 34 HA GLU 34 13.186 5.258 1.278 1073 1HB GLU 34 2HB GLU 34 11.656 7.742 2.035 1074 2HB GLU 34 1HB GLU 34 13.390 7.548 2.267 1075 1HG GLU 34 2HG GLU 34 11.997 7.252 -0.424 1076 2HG GLU 34 1HG GLU 34 12.826 8.719 0.097 1077 H THR 35 H THR 35 10.266 5.823 3.407 1078 HA THR 35 HA THR 35 11.727 5.401 5.863 1079 HB THR 35 HB THR 35 8.840 4.818 5.144 1080 HG1 THR 35 HG1 THR 35 9.587 7.022 5.113 1081 1HG2 THR 35 1HG2 THR 35 8.495 4.720 7.599 1082 2HG2 THR 35 2HG2 THR 35 10.232 4.898 7.840 1083 3HG2 THR 35 3HG2 THR 35 9.595 3.452 7.059 1084 H VAL 36 H VAL 36 9.962 3.136 3.743 1085 HA VAL 36 HA VAL 36 10.488 0.749 5.184 1086 HB VAL 36 HB VAL 36 10.051 1.595 2.354 1087 1HG1 VAL 36 1HG1 VAL 36 10.230 -1.073 1.956 1088 2HG1 VAL 36 2HG1 VAL 36 11.526 -0.867 3.131 1089 3HG1 VAL 36 3HG1 VAL 36 11.558 0.036 1.618 1090 1HG2 VAL 36 1HG2 VAL 36 8.001 0.958 3.015 1091 2HG2 VAL 36 2HG2 VAL 36 8.643 0.289 4.513 1092 3HG2 VAL 36 3HG2 VAL 36 8.581 -0.706 3.058 1093 H ALA 37 H ALA 37 12.445 2.515 2.804 1094 HA ALA 37 HA ALA 37 14.760 0.752 3.204 1095 1HB ALA 37 1HB ALA 37 14.292 1.611 1.025 1096 2HB ALA 37 2HB ALA 37 15.752 2.419 1.601 1097 3HB ALA 37 3HB ALA 37 14.208 3.263 1.631 1098 H LYS 38 H LYS 38 13.396 3.220 4.960 1099 HA LYS 38 HA LYS 38 15.984 4.416 5.830 1100 1HB LYS 38 2HB LYS 38 13.583 5.561 5.418 1101 2HB LYS 38 1HB LYS 38 13.350 5.068 7.093 1102 1HG LYS 38 2HG LYS 38 14.783 6.642 7.868 1103 2HG LYS 38 1HG LYS 38 15.964 6.314 6.600 1104 1HD LYS 38 2HD LYS 38 13.425 7.933 6.237 1105 2HD LYS 38 1HD LYS 38 15.042 8.611 6.423 1106 1HE LYS 38 2HE LYS 38 15.650 7.058 4.392 1107 2HE LYS 38 1HE LYS 38 13.900 7.072 4.100 1108 1HZ LYS 38 1HZ LYS 38 15.596 9.482 4.494 1109 2HZ LYS 38 2HZ LYS 38 13.922 9.479 4.203 1110 3HZ LYS 38 3HZ LYS 38 14.998 8.945 3.002 1111 H GLY 39 H GLY 39 13.427 2.243 6.751 1112 1HA GLY 39 2HA GLY 39 14.379 0.413 8.214 1113 2HA GLY 39 1HA GLY 39 14.867 1.721 9.285 1114 H ASP 40 H ASP 40 11.753 1.678 7.574 1115 HA ASP 40 HA ASP 40 10.401 0.854 10.097 1116 1HB ASP 40 2HB ASP 40 10.739 3.557 9.124 1117 2HB ASP 40 1HB ASP 40 9.026 3.145 9.186 1118 H LYS 41 H LYS 41 8.334 0.011 9.752 1119 HA LYS 41 HA LYS 41 7.634 -0.626 6.941 1120 1HB LYS 41 2HB LYS 41 6.101 -2.248 8.082 1121 2HB LYS 41 1HB LYS 41 7.782 -2.443 8.574 1122 1HG LYS 41 2HG LYS 41 6.508 -0.503 10.287 1123 2HG LYS 41 1HG LYS 41 5.537 -1.974 10.244 1124 1HD LYS 41 2HD LYS 41 8.475 -2.347 10.490 1125 2HD LYS 41 1HD LYS 41 7.653 -1.669 11.896 1126 1HE LYS 41 2HE LYS 41 6.123 -3.564 11.985 1127 2HE LYS 41 1HE LYS 41 6.797 -4.219 10.479 1128 1HZ LYS 41 1HZ LYS 41 8.443 -3.629 12.876 1129 2HZ LYS 41 2HZ LYS 41 8.908 -4.488 11.486 1130 3HZ LYS 41 3HZ LYS 41 7.784 -5.160 12.568 1131 H VAL 42 H VAL 42 6.648 1.272 6.210 1132 HA VAL 42 HA VAL 42 4.858 2.956 7.627 1133 HB VAL 42 HB VAL 42 4.996 2.240 4.678 1134 1HG1 VAL 42 1HG1 VAL 42 2.966 3.437 5.005 1135 2HG1 VAL 42 2HG1 VAL 42 4.131 4.651 4.480 1136 3HG1 VAL 42 3HG1 VAL 42 3.703 4.519 6.186 1137 1HG2 VAL 42 1HG2 VAL 42 6.772 3.681 4.492 1138 2HG2 VAL 42 2HG2 VAL 42 7.017 3.238 6.182 1139 3HG2 VAL 42 3HG2 VAL 42 6.182 4.737 5.775 1140 H GLN 43 H GLN 43 2.763 2.655 8.268 1141 HA GLN 43 HA GLN 43 1.222 0.390 7.041 1142 1HB GLN 43 2HB GLN 43 1.037 1.431 9.882 1143 2HB GLN 43 1HB GLN 43 0.371 -0.073 9.249 1144 1HG GLN 43 2HG GLN 43 3.088 -0.227 8.627 1145 2HG GLN 43 1HG GLN 43 3.058 0.487 10.240 1146 1HE2 GLN 43 1HE2 GLN 43 0.664 -0.805 11.212 1147 2HE2 GLN 43 2HE2 GLN 43 0.992 -2.464 11.364 1148 H LEU 44 H LEU 44 -0.289 1.415 5.746 1149 HA LEU 44 HA LEU 44 -1.361 4.052 6.384 1150 1HB LEU 44 2HB LEU 44 -1.783 1.908 4.320 1151 2HB LEU 44 1HB LEU 44 -2.895 3.270 4.403 1152 HG LEU 44 HG LEU 44 0.109 3.584 4.230 1153 1HD1 LEU 44 1HD1 LEU 44 -1.999 3.313 2.112 1154 2HD1 LEU 44 2HD1 LEU 44 -0.343 2.709 2.121 1155 3HD1 LEU 44 3HD1 LEU 44 -0.655 4.418 1.840 1156 1HD2 LEU 44 1HD2 LEU 44 -0.703 5.589 5.057 1157 2HD2 LEU 44 2HD2 LEU 44 -2.276 5.390 4.285 1158 3HD2 LEU 44 3HD2 LEU 44 -0.877 5.876 3.326 1159 H THR 45 H THR 45 -2.659 4.124 8.192 1160 HA THR 45 HA THR 45 -4.266 3.393 9.797 1161 HB THR 45 HB THR 45 -5.654 4.770 8.569 1162 HG1 THR 45 HG1 THR 45 -6.879 2.995 9.395 1163 1HG2 THR 45 1HG2 THR 45 -5.290 2.893 6.216 1164 2HG2 THR 45 2HG2 THR 45 -4.563 4.485 6.403 1165 3HG2 THR 45 3HG2 THR 45 -6.306 4.331 6.201 1166 H GLY 46 H GLY 46 -5.937 1.556 7.307 1167 1HA GLY 46 2HA GLY 46 -4.905 -0.993 8.385 1168 2HA GLY 46 1HA GLY 46 -6.625 -0.675 8.609 1169 H PHE 47 H PHE 47 -4.900 0.427 5.733 1170 HA PHE 47 HA PHE 47 -6.231 -1.756 4.197 1171 1HB PHE 47 2HB PHE 47 -7.254 -0.242 2.762 1172 2HB PHE 47 1HB PHE 47 -7.341 0.609 4.299 1173 HD1 PHE 47 HD1 PHE 47 -5.540 0.380 1.079 1174 HD2 PHE 47 HD2 PHE 47 -6.103 2.607 4.682 1175 HE1 PHE 47 HE1 PHE 47 -4.274 2.264 0.109 1176 HE2 PHE 47 HE2 PHE 47 -4.827 4.497 3.725 1177 HZ PHE 47 HZ PHE 47 -3.908 4.321 1.439 1178 H LEU 48 H LEU 48 -3.427 0.332 4.531 1179 HA LEU 48 HA LEU 48 -2.121 -1.347 2.444 1180 1HB LEU 48 2HB LEU 48 -2.467 1.578 2.584 1181 2HB LEU 48 1HB LEU 48 -0.853 1.027 2.137 1182 HG LEU 48 HG LEU 48 -3.464 0.447 0.739 1183 1HD1 LEU 48 1HD1 LEU 48 -0.833 1.558 -0.239 1184 2HD1 LEU 48 2HD1 LEU 48 -2.246 2.528 0.184 1185 3HD1 LEU 48 3HD1 LEU 48 -2.320 1.407 -1.176 1186 1HD2 LEU 48 1HD2 LEU 48 -2.626 -1.629 0.335 1187 2HD2 LEU 48 2HD2 LEU 48 -1.006 -1.176 0.862 1188 3HD2 LEU 48 3HD2 LEU 48 -1.540 -0.796 -0.774 1189 H ASN 49 H ASN 49 -1.047 -2.586 4.035 1190 HA ASN 49 HA ASN 49 0.628 -1.147 6.024 1191 1HB ASN 49 2HB ASN 49 -0.979 -3.114 6.470 1192 2HB ASN 49 1HB ASN 49 0.243 -4.124 5.695 1193 1HD2 ASN 49 1HD2 ASN 49 -0.722 -3.530 8.689 1194 2HD2 ASN 49 2HD2 ASN 49 0.757 -3.442 9.517 1195 H ILE 50 H ILE 50 2.053 -0.457 4.059 1196 HA ILE 50 HA ILE 50 3.663 -2.341 2.622 1197 HB ILE 50 HB ILE 50 3.845 0.549 3.459 1198 1HG1 ILE 50 2HG1 ILE 50 2.422 -0.417 1.519 1199 2HG1 ILE 50 1HG1 ILE 50 3.426 0.992 1.179 1200 1HG2 ILE 50 1HG2 ILE 50 5.911 0.716 1.999 1201 2HG2 ILE 50 2HG2 ILE 50 6.012 -1.043 2.064 1202 3HG2 ILE 50 3HG2 ILE 50 6.160 -0.095 3.545 1203 1HD1 ILE 50 1HD1 ILE 50 4.864 -0.186 -0.165 1204 2HD1 ILE 50 2HD1 ILE 50 3.453 -1.222 -0.370 1205 3HD1 ILE 50 3HD1 ILE 50 4.709 -1.663 0.786 1206 H LYS 51 H LYS 51 5.262 -3.717 3.461 1207 HA LYS 51 HA LYS 51 6.777 -2.741 5.844 1208 1HB LYS 51 2HB LYS 51 6.366 -5.084 6.841 1209 2HB LYS 51 1HB LYS 51 5.014 -3.953 6.874 1210 1HG LYS 51 2HG LYS 51 3.946 -5.010 5.035 1211 2HG LYS 51 1HG LYS 51 5.399 -5.909 4.607 1212 1HD LYS 51 2HD LYS 51 3.814 -6.284 7.165 1213 2HD LYS 51 1HD LYS 51 3.737 -7.348 5.762 1214 1HE LYS 51 2HE LYS 51 6.465 -7.189 6.237 1215 2HE LYS 51 1HE LYS 51 5.775 -7.213 7.872 1216 1HZ LYS 51 1HZ LYS 51 4.522 -9.139 7.368 1217 2HZ LYS 51 2HZ LYS 51 6.101 -9.457 6.828 1218 3HZ LYS 51 3HZ LYS 51 4.887 -9.044 5.714 1219 HA PRO 52 HA PRO 52 9.741 -4.705 3.117 1220 1HB PRO 52 2HB PRO 52 11.939 -3.496 4.162 1221 2HB PRO 52 1HB PRO 52 10.845 -2.680 3.030 1222 1HG PRO 52 2HG PRO 52 11.087 -2.397 5.963 1223 2HG PRO 52 1HG PRO 52 10.664 -1.190 4.744 1224 1HD PRO 52 2HD PRO 52 8.869 -2.490 6.411 1225 2HD PRO 52 1HD PRO 52 8.449 -1.651 4.904 1226 H VAL 53 H VAL 53 10.874 -6.557 3.440 1227 HA VAL 53 HA VAL 53 11.589 -7.304 6.224 1228 HB VAL 53 HB VAL 53 10.926 -9.588 5.627 1229 1HG1 VAL 53 1HG1 VAL 53 8.733 -7.787 4.594 1230 2HG1 VAL 53 2HG1 VAL 53 9.222 -7.733 6.288 1231 3HG1 VAL 53 3HG1 VAL 53 8.589 -9.228 5.600 1232 1HG2 VAL 53 1HG2 VAL 53 9.781 -8.715 3.022 1233 2HG2 VAL 53 2HG2 VAL 53 10.463 -10.273 3.481 1234 3HG2 VAL 53 3HG2 VAL 53 11.529 -8.931 3.074 1235 H ALA 54 H ALA 54 12.946 -9.691 5.370 1236 HA ALA 54 HA ALA 54 15.044 -8.725 3.515 1237 1HB ALA 54 1HB ALA 54 15.702 -9.556 6.346 1238 2HB ALA 54 2HB ALA 54 15.512 -7.876 5.845 1239 3HB ALA 54 3HB ALA 54 16.799 -8.861 5.152 1240 H ARG 55 H ARG 55 16.112 -10.320 2.500 1241 HA ARG 55 HA ARG 55 16.559 -12.992 3.386 1242 1HB ARG 55 2HB ARG 55 13.900 -12.334 2.372 1243 2HB ARG 55 1HB ARG 55 14.665 -13.582 1.388 1244 1HG ARG 55 2HG ARG 55 14.532 -15.131 3.040 1245 2HG ARG 55 1HG ARG 55 15.033 -13.981 4.279 1246 1HD ARG 55 2HD ARG 55 12.472 -13.112 3.502 1247 2HD ARG 55 1HD ARG 55 12.349 -14.879 3.614 1248 HE ARG 55 HE ARG 55 12.995 -13.054 5.835 1249 1HH1 ARG 55 1HH2 ARG 55 11.414 -15.825 5.311 1250 2HH1 ARG 55 2HH2 ARG 55 12.215 -16.786 6.509 1251 1HH2 ARG 55 2HH1 ARG 55 14.736 -14.471 7.062 1252 2HH2 ARG 55 1HH1 ARG 55 14.096 -16.019 7.500 1253 H GLN 56 H GLN 56 18.004 -13.947 1.870 1254 HA GLN 56 HA GLN 56 18.886 -12.222 -0.325 1255 1HB GLN 56 2HB GLN 56 19.686 -15.022 0.516 1256 2HB GLN 56 1HB GLN 56 20.595 -13.976 -0.577 1257 1HG GLN 56 2HG GLN 56 20.357 -12.288 1.501 1258 2HG GLN 56 1HG GLN 56 20.290 -13.814 2.383 1259 1HE2 GLN 56 1HE2 GLN 56 22.462 -11.527 1.288 1260 2HE2 GLN 56 2HE2 GLN 56 23.849 -12.499 1.171 1261 H ALA 57 H ALA 57 16.168 -13.804 -0.314 1262 HA ALA 57 HA ALA 57 15.457 -14.013 -2.903 1263 1HB ALA 57 1HB ALA 57 17.272 -15.228 -3.707 1264 2HB ALA 57 2HB ALA 57 16.144 -16.536 -3.355 1265 3HB ALA 57 3HB ALA 57 17.438 -16.157 -2.217 1266 H ARG 58 H ARG 58 13.862 -15.981 -3.346 1267 HA ARG 58 HA ARG 58 12.885 -17.334 -0.940 1268 1HB ARG 58 2HB ARG 58 11.786 -15.409 -0.380 1269 2HB ARG 58 1HB ARG 58 11.911 -14.762 -2.006 1270 1HG ARG 58 2HG ARG 58 10.019 -15.877 -2.758 1271 2HG ARG 58 1HG ARG 58 10.061 -17.041 -1.440 1272 1HD ARG 58 2HD ARG 58 9.110 -14.175 -1.397 1273 2HD ARG 58 1HD ARG 58 8.305 -15.620 -0.765 1274 HE ARG 58 HE ARG 58 10.552 -14.186 0.548 1275 1HH1 ARG 58 1HH2 ARG 58 9.901 -17.384 0.446 1276 2HH1 ARG 58 2HH2 ARG 58 9.405 -17.561 2.095 1277 1HH2 ARG 58 2HH1 ARG 58 9.230 -14.150 2.687 1278 2HH2 ARG 58 1HH1 ARG 58 9.027 -15.731 3.364 1279 H LYS 59 H LYS 59 11.067 -18.804 -1.516 1280 HA LYS 59 HA LYS 59 10.059 -19.045 -4.210 1281 1HB LYS 59 2HB LYS 59 12.672 -19.739 -4.038 1282 2HB LYS 59 1HB LYS 59 11.928 -21.287 -3.634 1283 1HG LYS 59 2HG LYS 59 10.805 -21.426 -5.700 1284 2HG LYS 59 1HG LYS 59 10.986 -19.700 -6.017 1285 1HD LYS 59 2HD LYS 59 13.361 -21.561 -5.811 1286 2HD LYS 59 1HD LYS 59 12.535 -21.248 -7.339 1287 1HE LYS 59 2HE LYS 59 13.239 -18.827 -5.771 1288 2HE LYS 59 1HE LYS 59 14.608 -19.728 -6.455 1289 1HZ LYS 59 1HZ LYS 59 13.794 -18.231 -8.119 1290 2HZ LYS 59 2HZ LYS 59 12.198 -18.772 -7.906 1291 3HZ LYS 59 3HZ LYS 59 13.367 -19.806 -8.578 1292 H GLY 60 H GLY 60 8.086 -19.925 -3.737 1293 1HA GLY 60 2HA GLY 60 6.591 -21.644 -3.071 1294 2HA GLY 60 1HA GLY 60 7.939 -22.479 -2.300 1295 H PHE 61 H PHE 61 6.441 -19.253 -1.850 1296 HA PHE 61 HA PHE 61 6.727 -19.516 1.017 1297 1HB PHE 61 2HB PHE 61 7.189 -17.383 0.029 1298 2HB PHE 61 1HB PHE 61 5.625 -17.382 -0.764 1299 HD1 PHE 61 HD1 PHE 61 3.513 -17.231 0.657 1300 HD2 PHE 61 HD2 PHE 61 7.435 -16.539 2.263 1301 HE1 PHE 61 HE1 PHE 61 2.513 -16.015 2.553 1302 HE2 PHE 61 HE2 PHE 61 6.428 -15.329 4.161 1303 HZ PHE 61 HZ PHE 61 3.979 -15.062 4.311 1304 H ASN 62 H ASN 62 4.746 -18.887 2.446 1305 HA ASN 62 HA ASN 62 2.135 -18.929 2.087 1306 1HB ASN 62 2HB ASN 62 2.031 -20.478 0.357 1307 2HB ASN 62 1HB ASN 62 3.201 -21.555 1.121 1308 1HD2 ASN 62 1HD2 ASN 62 2.399 -22.726 3.144 1309 2HD2 ASN 62 2HD2 ASN 62 0.748 -23.100 3.258 1310 HA PRO 63 HA PRO 63 2.904 -21.779 5.857 1311 1HB PRO 63 2HB PRO 63 5.521 -21.990 6.658 1312 2HB PRO 63 1HB PRO 63 4.726 -23.185 5.612 1313 1HG PRO 63 2HG PRO 63 6.559 -20.954 4.883 1314 2HG PRO 63 1HG PRO 63 6.479 -22.603 4.242 1315 1HD PRO 63 2HD PRO 63 5.453 -20.471 2.936 1316 2HD PRO 63 1HD PRO 63 4.760 -22.100 2.797 1317 H GLN 64 H GLN 64 4.158 -18.803 4.876 1318 HA GLN 64 HA GLN 64 4.457 -17.792 7.646 1319 1HB GLN 64 2HB GLN 64 5.712 -17.328 5.092 1320 2HB GLN 64 1HB GLN 64 5.139 -15.813 5.794 1321 1HG GLN 64 2HG GLN 64 6.794 -17.846 7.314 1322 2HG GLN 64 1HG GLN 64 7.485 -16.452 6.481 1323 1HE2 GLN 64 1HE2 GLN 64 8.186 -15.631 8.643 1324 2HE2 GLN 64 2HE2 GLN 64 7.057 -14.875 9.662 1325 H THR 65 H THR 65 2.811 -17.117 4.574 1326 HA THR 65 HA THR 65 0.587 -15.832 6.067 1327 HB THR 65 HB THR 65 2.207 -14.534 3.849 1328 HG1 THR 65 HG1 THR 65 3.184 -14.393 5.874 1329 1HG2 THR 65 1HG2 THR 65 0.057 -13.748 3.447 1330 2HG2 THR 65 2HG2 THR 65 0.655 -12.558 4.604 1331 3HG2 THR 65 3HG2 THR 65 -0.409 -13.858 5.145 1332 H GLN 66 H GLN 66 1.273 -18.228 4.169 1333 HA GLN 66 HA GLN 66 0.180 -19.442 2.496 1334 1HB GLN 66 2HB GLN 66 -1.901 -17.700 3.780 1335 2HB GLN 66 1HB GLN 66 -2.356 -18.727 2.419 1336 1HG GLN 66 2HG GLN 66 -2.695 -20.256 4.098 1337 2HG GLN 66 1HG GLN 66 -0.967 -20.526 3.866 1338 1HE2 GLN 66 1HE2 GLN 66 0.479 -19.832 5.539 1339 2HE2 GLN 66 2HE2 GLN 66 -0.063 -19.181 7.009 1340 H GLU 67 H GLU 67 1.259 -18.756 0.657 1341 HA GLU 67 HA GLU 67 0.116 -17.880 -1.625 1342 1HB GLU 67 2HB GLU 67 0.612 -15.383 -1.674 1343 2HB GLU 67 1HB GLU 67 -0.695 -15.834 -0.586 1344 1HG GLU 67 2HG GLU 67 0.527 -15.336 1.303 1345 2HG GLU 67 1HG GLU 67 2.057 -15.799 0.559 1346 H ALA 68 H ALA 68 2.048 -19.430 -1.785 1347 HA ALA 68 HA ALA 68 4.708 -18.806 -1.304 1348 1HB ALA 68 1HB ALA 68 3.195 -20.626 -2.911 1349 2HB ALA 68 2HB ALA 68 4.799 -20.837 -2.210 1350 3HB ALA 68 3HB ALA 68 4.624 -20.105 -3.804 1351 H LEU 69 H LEU 69 6.338 -17.713 -2.290 1352 HA LEU 69 HA LEU 69 5.608 -15.995 -4.641 1353 1HB LEU 69 2HB LEU 69 7.310 -14.941 -2.408 1354 2HB LEU 69 1HB LEU 69 6.166 -14.082 -3.436 1355 HG LEU 69 HG LEU 69 5.007 -16.154 -1.652 1356 1HD1 LEU 69 1HD1 LEU 69 6.141 -13.579 -0.586 1357 2HD1 LEU 69 2HD1 LEU 69 6.561 -15.216 -0.087 1358 3HD1 LEU 69 3HD1 LEU 69 4.959 -14.571 0.267 1359 1HD2 LEU 69 1HD2 LEU 69 3.399 -14.985 -2.847 1360 2HD2 LEU 69 2HD2 LEU 69 4.278 -13.462 -2.729 1361 3HD2 LEU 69 3HD2 LEU 69 3.426 -14.100 -1.323 1362 H GLU 70 H GLU 70 8.160 -14.634 -4.598 1363 HA GLU 70 HA GLU 70 10.377 -16.484 -4.547 1364 1HB GLU 70 2HB GLU 70 10.572 -16.741 -7.027 1365 2HB GLU 70 1HB GLU 70 9.114 -17.494 -6.385 1366 1HG GLU 70 2HG GLU 70 7.915 -16.259 -7.838 1367 2HG GLU 70 1HG GLU 70 8.396 -14.824 -6.931 1368 H ILE 71 H ILE 71 10.447 -14.010 -3.527 1369 HA ILE 71 HA ILE 71 11.064 -11.862 -5.329 1370 HB ILE 71 HB ILE 71 11.805 -10.768 -3.301 1371 1HG1 ILE 71 2HG1 ILE 71 11.554 -12.924 -1.401 1372 2HG1 ILE 71 1HG1 ILE 71 12.760 -13.337 -2.618 1373 1HG2 ILE 71 1HG2 ILE 71 9.762 -12.413 -2.000 1374 2HG2 ILE 71 2HG2 ILE 71 9.312 -11.895 -3.624 1375 3HG2 ILE 71 3HG2 ILE 71 9.736 -10.696 -2.401 1376 1HD1 ILE 71 1HD1 ILE 71 13.438 -10.757 -2.144 1377 2HD1 ILE 71 2HD1 ILE 71 14.141 -12.121 -1.275 1378 3HD1 ILE 71 3HD1 ILE 71 12.811 -11.210 -0.559 1379 H ALA 72 H ALA 72 13.551 -10.978 -4.234 1380 HA ALA 72 HA ALA 72 15.487 -13.004 -5.261 1381 1HB ALA 72 1HB ALA 72 16.143 -10.238 -5.895 1382 2HB ALA 72 2HB ALA 72 14.551 -10.668 -6.518 1383 3HB ALA 72 3HB ALA 72 15.965 -11.612 -6.986 1384 HA PRO 73 HA PRO 73 18.218 -11.771 -2.024 1385 1HB PRO 73 2HB PRO 73 20.457 -10.690 -3.188 1386 2HB PRO 73 1HB PRO 73 20.097 -12.429 -3.189 1387 1HG PRO 73 2HG PRO 73 19.642 -10.403 -5.333 1388 2HG PRO 73 1HG PRO 73 20.256 -12.061 -5.461 1389 1HD PRO 73 2HD PRO 73 17.707 -11.437 -6.064 1390 2HD PRO 73 1HD PRO 73 18.138 -12.998 -5.335 1391 H SER 74 H SER 74 16.735 -10.115 -1.290 1392 HA SER 74 HA SER 74 17.901 -7.513 -0.914 1393 1HB SER 74 2HB SER 74 16.071 -6.344 -2.333 1394 2HB SER 74 1HB SER 74 17.424 -7.070 -3.196 1395 HG SER 74 HG SER 74 14.770 -7.722 -3.199 1396 H VAL 75 H VAL 75 16.296 -6.037 0.248 1397 HA VAL 75 HA VAL 75 14.852 -7.372 2.279 1398 HB VAL 75 HB VAL 75 15.218 -4.662 1.226 1399 1HG1 VAL 75 1HG1 VAL 75 13.230 -3.681 2.347 1400 2HG1 VAL 75 2HG1 VAL 75 12.611 -5.305 2.637 1401 3HG1 VAL 75 3HG1 VAL 75 12.774 -4.706 0.986 1402 1HG2 VAL 75 1HG2 VAL 75 14.492 -5.032 4.049 1403 2HG2 VAL 75 2HG2 VAL 75 15.927 -4.297 3.340 1404 3HG2 VAL 75 3HG2 VAL 75 15.831 -6.049 3.514 1405 H GLY 76 H GLY 76 12.358 -7.262 2.541 1406 1HA GLY 76 2HA GLY 76 11.105 -7.822 -0.128 1407 2HA GLY 76 1HA GLY 76 10.664 -8.699 1.332 1408 H VAL 77 H VAL 77 10.378 -5.691 -0.390 1409 HA VAL 77 HA VAL 77 8.959 -4.183 1.602 1410 HB VAL 77 HB VAL 77 8.899 -4.129 -1.443 1411 1HG1 VAL 77 1HG1 VAL 77 7.805 -2.127 -1.365 1412 2HG1 VAL 77 2HG1 VAL 77 8.545 -1.661 0.166 1413 3HG1 VAL 77 3HG1 VAL 77 7.190 -2.789 0.149 1414 1HG2 VAL 77 1HG2 VAL 77 11.144 -3.883 -0.051 1415 2HG2 VAL 77 2HG2 VAL 77 10.532 -2.254 0.231 1416 3HG2 VAL 77 3HG2 VAL 77 10.813 -2.816 -1.417 1417 H SER 78 H SER 78 7.496 -5.984 2.378 1418 HA SER 78 HA SER 78 5.420 -6.952 0.573 1419 1HB SER 78 2HB SER 78 6.271 -7.212 3.380 1420 2HB SER 78 1HB SER 78 4.529 -7.342 3.152 1421 HG SER 78 HG SER 78 6.535 -8.794 1.752 1422 H VAL 79 H VAL 79 3.072 -6.606 1.321 1423 HA VAL 79 HA VAL 79 2.108 -4.299 2.664 1424 HB VAL 79 HB VAL 79 3.387 -3.115 0.898 1425 1HG1 VAL 79 1HG1 VAL 79 2.695 -3.398 -1.480 1426 2HG1 VAL 79 2HG1 VAL 79 1.650 -4.730 -0.988 1427 3HG1 VAL 79 3HG1 VAL 79 3.399 -4.865 -0.800 1428 1HG2 VAL 79 1HG2 VAL 79 1.058 -2.330 1.686 1429 2HG2 VAL 79 2HG2 VAL 79 0.472 -2.932 0.136 1430 3HG2 VAL 79 3HG2 VAL 79 1.671 -1.642 0.184 1431 H LYS 80 H LYS 80 -0.300 -3.830 1.698 1432 HA LYS 80 HA LYS 80 -1.488 -5.780 -0.021 1433 1HB LYS 80 2HB LYS 80 -2.658 -7.105 1.744 1434 2HB LYS 80 1HB LYS 80 -0.909 -7.282 1.837 1435 1HG LYS 80 2HG LYS 80 -0.820 -6.328 3.887 1436 2HG LYS 80 1HG LYS 80 -1.885 -5.009 3.404 1437 1HD LYS 80 2HD LYS 80 -3.317 -6.028 4.874 1438 2HD LYS 80 1HD LYS 80 -3.681 -7.025 3.465 1439 1HE LYS 80 2HE LYS 80 -3.233 -8.604 5.191 1440 2HE LYS 80 1HE LYS 80 -1.707 -8.521 4.288 1441 1HZ LYS 80 1HZ LYS 80 -2.349 -6.808 6.628 1442 2HZ LYS 80 2HZ LYS 80 -0.860 -6.914 5.816 1443 3HZ LYS 80 3HZ LYS 80 -1.431 -8.231 6.726 1444 HA PRO 81 HA PRO 81 -4.953 -3.077 0.709 1445 1HB PRO 81 2HB PRO 81 -6.907 -4.608 -0.415 1446 2HB PRO 81 1HB PRO 81 -5.608 -3.875 -1.374 1447 1HG PRO 81 2HG PRO 81 -6.043 -6.677 -0.683 1448 2HG PRO 81 1HG PRO 81 -5.025 -5.978 -1.944 1449 1HD PRO 81 2HD PRO 81 -4.242 -6.954 0.662 1450 2HD PRO 81 1HD PRO 81 -3.210 -6.377 -0.664 1451 H GLY 82 H GLY 82 -5.393 -3.026 2.997 1452 1HA GLY 82 2HA GLY 82 -6.454 -5.215 4.500 1453 2HA GLY 82 1HA GLY 82 -6.582 -3.519 4.968 1454 H GLU 83 H GLU 83 -8.793 -4.998 5.521 1455 HA GLU 83 HA GLU 83 -10.681 -5.207 3.355 1456 1HB GLU 83 2HB GLU 83 -12.300 -5.468 5.206 1457 2HB GLU 83 1HB GLU 83 -10.856 -6.450 5.451 1458 1HG GLU 83 2HG GLU 83 -10.160 -4.057 6.648 1459 2HG GLU 83 1HG GLU 83 -11.874 -4.195 7.037 1460 H SER 84 H SER 84 -9.717 -2.545 5.443 1461 HA SER 84 HA SER 84 -11.921 -0.804 5.281 1462 1HB SER 84 2HB SER 84 -9.296 -0.699 6.103 1463 2HB SER 84 1HB SER 84 -9.274 0.397 4.724 1464 HG SER 84 HG SER 84 -10.979 0.485 6.994 1465 H LEU 85 H LEU 85 -9.526 -1.670 2.859 1466 HA LEU 85 HA LEU 85 -10.505 0.236 0.845 1467 1HB LEU 85 2HB LEU 85 -8.184 -1.254 1.386 1468 2HB LEU 85 1HB LEU 85 -8.860 -2.006 -0.058 1469 HG LEU 85 HG LEU 85 -8.319 0.953 0.284 1470 1HD1 LEU 85 1HD1 LEU 85 -6.912 -0.532 -1.820 1471 2HD1 LEU 85 2HD1 LEU 85 -6.478 -1.043 -0.189 1472 3HD1 LEU 85 3HD1 LEU 85 -6.289 0.644 -0.666 1473 1HD2 LEU 85 1HD2 LEU 85 -9.777 1.170 -1.433 1474 2HD2 LEU 85 2HD2 LEU 85 -9.931 -0.578 -1.584 1475 3HD2 LEU 85 3HD2 LEU 85 -8.629 0.266 -2.418 1476 H LYS 86 H LYS 86 -10.897 -3.160 1.704 1477 HA LYS 86 HA LYS 86 -12.312 -3.890 -0.726 1478 1HB LYS 86 2HB LYS 86 -11.042 -5.197 1.315 1479 2HB LYS 86 1HB LYS 86 -12.732 -5.430 1.763 1480 1HG LYS 86 2HG LYS 86 -13.181 -6.269 -0.553 1481 2HG LYS 86 1HG LYS 86 -11.452 -6.162 -0.886 1482 1HD LYS 86 2HD LYS 86 -10.975 -8.027 0.323 1483 2HD LYS 86 1HD LYS 86 -12.120 -7.607 1.597 1484 1HE LYS 86 2HE LYS 86 -13.880 -8.170 -0.369 1485 2HE LYS 86 1HE LYS 86 -12.548 -9.236 -0.860 1486 1HZ LYS 86 1HZ LYS 86 -13.671 -9.059 1.887 1487 2HZ LYS 86 2HZ LYS 86 -12.430 -10.101 1.376 1488 3HZ LYS 86 3HZ LYS 86 -14.009 -10.300 0.781 1489 H LYS 87 H LYS 87 -13.208 -2.954 2.542 1490 HA LYS 87 HA LYS 87 -16.027 -3.363 2.229 1491 1HB LYS 87 2HB LYS 87 -14.970 -3.160 4.419 1492 2HB LYS 87 1HB LYS 87 -14.332 -1.570 4.005 1493 1HG LYS 87 2HG LYS 87 -16.712 -0.769 3.748 1494 2HG LYS 87 1HG LYS 87 -17.243 -2.325 4.389 1495 1HD LYS 87 2HD LYS 87 -16.003 -1.927 6.463 1496 2HD LYS 87 1HD LYS 87 -15.387 -0.402 5.824 1497 1HE LYS 87 2HE LYS 87 -17.361 0.698 6.206 1498 2HE LYS 87 1HE LYS 87 -18.343 -0.711 5.759 1499 1HZ LYS 87 1HZ LYS 87 -17.651 -1.786 7.823 1500 2HZ LYS 87 2HZ LYS 87 -18.461 -0.327 8.139 1501 3HZ LYS 87 3HZ LYS 87 -16.769 -0.407 8.263 1502 H ALA 88 H ALA 88 -13.786 -0.680 1.689 1503 HA ALA 88 HA ALA 88 -15.770 1.248 0.868 1504 1HB ALA 88 1HB ALA 88 -13.818 2.427 0.028 1505 2HB ALA 88 2HB ALA 88 -12.889 0.930 -0.046 1506 3HB ALA 88 3HB ALA 88 -13.329 1.619 1.516 1507 H ALA 89 H ALA 89 -13.948 -1.368 -0.653 1508 HA ALA 89 HA ALA 89 -14.541 -0.901 -3.381 1509 1HB ALA 89 1HB ALA 89 -14.658 -3.673 -2.262 1510 2HB ALA 89 2HB ALA 89 -13.175 -2.750 -2.026 1511 3HB ALA 89 3HB ALA 89 -13.762 -3.073 -3.656 1512 H GLU 90 H GLU 90 -16.489 -2.499 -0.877 1513 HA GLU 90 HA GLU 90 -18.705 -3.290 -2.484 1514 1HB GLU 90 2HB GLU 90 -18.016 -2.899 0.305 1515 2HB GLU 90 1HB GLU 90 -19.640 -2.279 0.007 1516 1HG GLU 90 2HG GLU 90 -20.418 -4.373 -0.783 1517 2HG GLU 90 1HG GLU 90 -18.780 -4.990 -1.004 1518 H GLY 91 H GLY 91 -17.655 -0.227 -1.135 1519 1HA GLY 91 2HA GLY 91 -20.018 1.298 -1.814 1520 2HA GLY 91 1HA GLY 91 -18.438 1.971 -1.424 1521 H LEU 92 H LEU 92 -17.181 0.300 -3.689 1522 HA LEU 92 HA LEU 92 -17.459 2.295 -5.783 1523 1HB LEU 92 2HB LEU 92 -15.608 1.188 -6.654 1524 2HB LEU 92 1HB LEU 92 -15.533 0.631 -4.992 1525 HG LEU 92 HG LEU 92 -17.168 -1.267 -6.030 1526 1HD1 LEU 92 1HD1 LEU 92 -16.982 -1.504 -8.272 1527 2HD1 LEU 92 2HD1 LEU 92 -15.227 -1.355 -8.203 1528 3HD1 LEU 92 3HD1 LEU 92 -16.232 0.091 -8.302 1529 1HD2 LEU 92 1HD2 LEU 92 -14.574 -2.209 -6.579 1530 2HD2 LEU 92 2HD2 LEU 92 -15.451 -2.371 -5.059 1531 3HD2 LEU 92 3HD2 LEU 92 -14.365 -1.006 -5.308 1532 H LYS 93 H LYS 93 -19.817 0.448 -4.950 1533 HA LYS 93 HA LYS 93 -21.683 -0.411 -6.108 1534 1HB LYS 93 2HB LYS 93 -22.004 0.549 -8.159 1535 2HB LYS 93 1HB LYS 93 -20.434 1.309 -7.935 1536 1HG LYS 93 2HG LYS 93 -19.466 -0.893 -8.953 1537 2HG LYS 93 1HG LYS 93 -21.117 -1.180 -9.506 1538 1HD LYS 93 2HD LYS 93 -19.981 1.530 -10.003 1539 2HD LYS 93 1HD LYS 93 -19.349 0.202 -10.976 1540 1HE LYS 93 2HE LYS 93 -22.195 -0.094 -10.867 1541 2HE LYS 93 1HE LYS 93 -21.831 1.583 -11.317 1542 1HZ LYS 93 1HZ LYS 93 -21.788 0.177 -13.272 1543 2HZ LYS 93 2HZ LYS 93 -20.649 -0.853 -12.545 1544 3HZ LYS 93 3HZ LYS 93 -20.225 0.744 -12.939 1545 H TYR 94 H TYR 94 -19.261 -1.836 -5.220 1546 HA TYR 94 HA TYR 94 -18.038 -3.728 -6.624 1547 1HB TYR 94 2HB TYR 94 -18.281 -3.908 -4.201 1548 2HB TYR 94 1HB TYR 94 -19.986 -4.323 -4.376 1549 HD1 TYR 94 HD1 TYR 94 -20.550 -6.486 -5.721 1550 HD2 TYR 94 HD2 TYR 94 -16.605 -5.597 -4.293 1551 HE1 TYR 94 HE1 TYR 94 -19.990 -8.883 -5.803 1552 HE2 TYR 94 HE2 TYR 94 -16.046 -8.010 -4.397 1553 HH TYR 94 HH TYR 94 -18.267 -10.374 -4.448 1554 H GLU 95 H GLU 95 -21.533 -4.411 -5.888 1555 HA GLU 95 HA GLU 95 -22.486 -6.229 -7.445 1556 1HB GLU 95 2HB GLU 95 -22.634 -3.376 -8.527 1557 2HB GLU 95 1HB GLU 95 -23.751 -4.676 -8.946 1558 1HG GLU 95 2HG GLU 95 -23.951 -4.762 -6.249 1559 2HG GLU 95 1HG GLU 95 -23.583 -3.050 -6.465 1560 H ASP 96 H ASP 96 -19.712 -5.970 -7.460 1561 HA ASP 96 HA ASP 96 -17.747 -5.665 -8.795 1562 1HB ASP 96 2HB ASP 96 -18.645 -7.782 -10.551 1563 2HB ASP 96 1HB ASP 96 -17.486 -7.862 -9.250 1564 H PHE 97 H PHE 97 -19.818 -3.799 -9.652 1565 HA PHE 97 HA PHE 97 -20.964 -3.195 -11.668 1566 1HB PHE 97 2HB PHE 97 -19.282 -2.349 -13.231 1567 2HB PHE 97 1HB PHE 97 -18.771 -2.016 -11.584 1568 HD1 PHE 97 HD1 PHE 97 -18.243 -4.271 -14.496 1569 HD2 PHE 97 HD2 PHE 97 -16.770 -2.923 -10.694 1570 HE1 PHE 97 HE1 PHE 97 -16.091 -5.426 -14.921 1571 HE2 PHE 97 HE2 PHE 97 -14.619 -4.079 -11.116 1572 HZ PHE 97 HZ PHE 97 -14.279 -5.329 -13.231 1573 H ALA 98 H ALA 98 -20.481 -5.739 -10.693 1574 HA ALA 98 HA ALA 98 -19.734 -7.872 -12.326 1575 1HB ALA 98 1HB ALA 98 -20.821 -8.984 -10.619 1576 2HB ALA 98 2HB ALA 98 -22.207 -7.894 -10.656 1577 3HB ALA 98 3HB ALA 98 -20.712 -7.387 -9.900 1578 H LYS 99 H LYS 99 -22.525 -5.806 -12.278 1579 HA LYS 99 HA LYS 99 -24.212 -7.385 -14.072 1580 1HB LYS 99 2HB LYS 99 -24.371 -5.089 -12.388 1581 2HB LYS 99 1HB LYS 99 -24.871 -4.581 -14.000 1582 1HG LYS 99 2HG LYS 99 -26.877 -5.524 -13.612 1583 2HG LYS 99 1HG LYS 99 -26.082 -7.097 -13.592 1584 1HD LYS 99 2HD LYS 99 -27.217 -6.937 -11.502 1585 2HD LYS 99 1HD LYS 99 -25.521 -6.615 -11.139 1586 1HE LYS 99 2HE LYS 99 -25.886 -4.314 -10.834 1587 2HE LYS 99 1HE LYS 99 -27.385 -4.331 -11.784 1588 1HZ LYS 99 1HZ LYS 99 -27.021 -5.821 -9.241 1589 2HZ LYS 99 2HZ LYS 99 -28.464 -5.620 -10.115 1590 3HZ LYS 99 3HZ LYS 99 -27.748 -4.292 -9.334 Start of MODEL 6 1 1H MET 1 1H MET 1 6.766 4.462 10.171 2 2H MET 1 2H MET 1 5.535 3.527 9.467 3 3H MET 1 3H MET 1 5.527 3.828 11.139 4 HA MET 1 HA MET 1 5.066 6.142 10.804 5 1HB MET 1 2HB MET 1 6.048 5.315 8.145 6 2HB MET 1 1HB MET 1 4.707 6.461 8.098 7 1HG MET 1 2HG MET 1 5.903 8.112 9.239 8 2HG MET 1 1HG MET 1 7.026 6.950 9.948 9 1HE MET 1 1HE MET 1 6.150 7.182 5.824 10 2HE MET 1 2HE MET 1 6.739 8.840 5.918 11 3HE MET 1 3HE MET 1 5.467 8.300 7.012 12 H ASN 2 H ASN 2 2.942 6.992 9.503 13 HA ASN 2 HA ASN 2 1.050 5.070 8.560 14 1HB ASN 2 2HB ASN 2 -0.381 4.989 10.625 15 2HB ASN 2 1HB ASN 2 1.181 4.200 10.832 16 1HD2 ASN 2 1HD2 ASN 2 1.503 4.613 13.077 17 2HD2 ASN 2 2HD2 ASN 2 1.619 6.176 13.727 18 H LYS 3 H LYS 3 -1.351 6.069 9.140 19 HA LYS 3 HA LYS 3 -1.667 8.404 7.638 20 1HB LYS 3 2HB LYS 3 -3.282 6.655 8.967 21 2HB LYS 3 1HB LYS 3 -3.490 8.098 9.956 22 1HG LYS 3 2HG LYS 3 -4.931 8.893 8.413 23 2HG LYS 3 1HG LYS 3 -3.593 8.985 7.271 24 1HD LYS 3 2HD LYS 3 -4.317 7.184 6.109 25 2HD LYS 3 1HD LYS 3 -4.612 6.257 7.574 26 1HE LYS 3 2HE LYS 3 -6.491 8.258 6.251 27 2HE LYS 3 1HE LYS 3 -6.772 6.533 6.524 28 1HZ LYS 3 1HZ LYS 3 -6.961 8.739 8.396 29 2HZ LYS 3 2HZ LYS 3 -6.161 7.370 9.001 30 3HZ LYS 3 3HZ LYS 3 -7.747 7.237 8.408 31 H THR 4 H THR 4 -0.320 8.190 10.818 32 HA THR 4 HA THR 4 -0.719 11.122 11.277 33 HB THR 4 HB THR 4 0.107 8.826 13.082 34 HG1 THR 4 HG1 THR 4 -1.991 8.638 13.018 35 1HG2 THR 4 1HG2 THR 4 0.112 11.776 13.438 36 2HG2 THR 4 2HG2 THR 4 1.121 10.548 14.202 37 3HG2 THR 4 3HG2 THR 4 -0.524 10.821 14.777 38 H GLU 5 H GLU 5 1.810 8.656 11.842 39 HA GLU 5 HA GLU 5 4.028 10.364 12.028 40 1HB GLU 5 2HB GLU 5 3.526 7.550 11.137 41 2HB GLU 5 1HB GLU 5 5.135 8.223 10.892 42 1HG GLU 5 2HG GLU 5 4.873 8.991 13.397 43 2HG GLU 5 1HG GLU 5 3.677 7.696 13.457 44 H LEU 6 H LEU 6 2.531 8.940 9.114 45 HA LEU 6 HA LEU 6 4.282 10.032 7.162 46 1HB LEU 6 2HB LEU 6 1.346 9.324 7.244 47 2HB LEU 6 1HB LEU 6 2.082 9.950 5.772 48 HG LEU 6 HG LEU 6 3.549 7.748 7.122 49 1HD1 LEU 6 1HD1 LEU 6 1.899 6.213 7.052 50 2HD1 LEU 6 2HD1 LEU 6 1.570 6.601 5.364 51 3HD1 LEU 6 3HD1 LEU 6 0.758 7.494 6.649 52 1HD2 LEU 6 1HD2 LEU 6 3.730 9.078 4.735 53 2HD2 LEU 6 2HD2 LEU 6 2.817 7.647 4.259 54 3HD2 LEU 6 3HD2 LEU 6 4.396 7.472 5.023 55 H ILE 7 H ILE 7 1.555 11.560 8.921 56 HA ILE 7 HA ILE 7 1.403 13.915 7.296 57 HB ILE 7 HB ILE 7 0.063 14.802 8.991 58 1HG1 ILE 7 2HG1 ILE 7 0.334 13.806 11.430 59 2HG1 ILE 7 1HG1 ILE 7 1.970 13.491 10.875 60 1HG2 ILE 7 1HG2 ILE 7 -1.279 13.008 9.926 61 2HG2 ILE 7 2HG2 ILE 7 0.014 11.855 9.632 62 3HG2 ILE 7 3HG2 ILE 7 -0.812 12.609 8.274 63 1HD1 ILE 7 1HD1 ILE 7 1.683 16.024 9.983 64 2HD1 ILE 7 2HD1 ILE 7 2.315 15.638 11.584 65 3HD1 ILE 7 3HD1 ILE 7 0.619 16.078 11.389 66 H LYS 8 H LYS 8 3.403 13.047 10.069 67 HA LYS 8 HA LYS 8 4.833 15.567 10.119 68 1HB LYS 8 2HB LYS 8 5.602 14.618 12.040 69 2HB LYS 8 1HB LYS 8 4.609 13.214 11.662 70 1HG LYS 8 2HG LYS 8 6.501 12.282 10.324 71 2HG LYS 8 1HG LYS 8 7.493 13.651 10.828 72 1HD LYS 8 2HD LYS 8 8.090 12.217 12.510 73 2HD LYS 8 1HD LYS 8 6.608 12.829 13.245 74 1HE LYS 8 2HE LYS 8 5.603 10.800 13.091 75 2HE LYS 8 1HE LYS 8 6.080 10.624 11.389 76 1HZ LYS 8 1HZ LYS 8 8.348 10.125 12.151 77 2HZ LYS 8 2HZ LYS 8 7.223 8.981 12.711 78 3HZ LYS 8 3HZ LYS 8 7.816 10.179 13.761 79 H ALA 9 H ALA 9 5.123 12.526 8.389 80 HA ALA 9 HA ALA 9 7.786 12.780 7.395 81 1HB ALA 9 1HB ALA 9 5.437 11.648 5.873 82 2HB ALA 9 2HB ALA 9 6.046 10.851 7.324 83 3HB ALA 9 3HB ALA 9 7.097 11.056 5.922 84 H ILE 10 H ILE 10 4.661 14.088 6.263 85 HA ILE 10 HA ILE 10 6.022 15.440 4.015 86 HB ILE 10 HB ILE 10 3.328 14.505 4.764 87 1HG1 ILE 10 2HG1 ILE 10 3.023 14.473 2.322 88 2HG1 ILE 10 1HG1 ILE 10 4.516 15.387 2.116 89 1HG2 ILE 10 1HG2 ILE 10 2.100 16.332 3.596 90 2HG2 ILE 10 2HG2 ILE 10 3.592 17.269 3.543 91 3HG2 ILE 10 3HG2 ILE 10 2.853 16.877 5.095 92 1HD1 ILE 10 1HD1 ILE 10 5.755 13.537 3.260 93 2HD1 ILE 10 2HD1 ILE 10 4.982 13.019 1.762 94 3HD1 ILE 10 3HD1 ILE 10 4.253 12.614 3.316 95 H ALA 11 H ALA 11 4.577 15.961 7.178 96 HA ALA 11 HA ALA 11 4.403 18.822 7.039 97 1HB ALA 11 1HB ALA 11 4.365 18.566 9.518 98 2HB ALA 11 2HB ALA 11 4.991 16.929 9.353 99 3HB ALA 11 3HB ALA 11 3.378 17.318 8.759 100 H GLN 12 H GLN 12 7.057 16.653 7.031 101 HA GLN 12 HA GLN 12 8.937 18.840 7.785 102 1HB GLN 12 2HB GLN 12 9.190 15.811 7.891 103 2HB GLN 12 1HB GLN 12 10.457 16.937 8.375 104 1HG GLN 12 2HG GLN 12 7.736 17.218 9.596 105 2HG GLN 12 1HG GLN 12 8.798 15.935 10.175 106 1HE2 GLN 12 1HE2 GLN 12 9.794 16.676 12.058 107 2HE2 GLN 12 2HE2 GLN 12 10.472 18.219 12.255 108 H ASP 13 H ASP 13 8.505 16.038 5.572 109 HA ASP 13 HA ASP 13 10.728 16.713 3.837 110 1HB ASP 13 2HB ASP 13 8.099 15.229 3.465 111 2HB ASP 13 1HB ASP 13 9.338 15.304 2.213 112 H THR 14 H THR 14 7.447 17.682 4.231 113 HA THR 14 HA THR 14 7.507 19.536 1.905 114 HB THR 14 HB THR 14 5.032 19.185 3.450 115 HG1 THR 14 HG1 THR 14 6.274 16.903 2.313 116 1HG2 THR 14 1HG2 THR 14 4.229 19.439 1.405 117 2HG2 THR 14 2HG2 THR 14 4.994 17.936 0.899 118 3HG2 THR 14 3HG2 THR 14 5.872 19.456 0.768 119 H GLY 15 H GLY 15 5.863 19.606 5.064 120 1HA GLY 15 2HA GLY 15 5.768 21.237 6.736 121 2HA GLY 15 1HA GLY 15 7.468 21.510 6.380 122 H LEU 16 H LEU 16 5.494 22.058 3.664 123 HA LEU 16 HA LEU 16 6.154 24.807 3.372 124 1HB LEU 16 2HB LEU 16 3.669 23.322 2.466 125 2HB LEU 16 1HB LEU 16 4.210 24.865 1.819 126 HG LEU 16 HG LEU 16 6.464 23.270 1.634 127 1HD1 LEU 16 1HD1 LEU 16 4.159 21.681 0.545 128 2HD1 LEU 16 2HD1 LEU 16 4.770 21.376 2.167 129 3HD1 LEU 16 3HD1 LEU 16 5.827 21.172 0.772 130 1HD2 LEU 16 1HD2 LEU 16 4.864 24.810 -0.029 131 2HD2 LEU 16 2HD2 LEU 16 4.718 23.204 -0.740 132 3HD2 LEU 16 3HD2 LEU 16 6.309 23.940 -0.545 133 H THR 17 H THR 17 2.996 23.513 4.282 134 HA THR 17 HA THR 17 2.623 25.777 6.174 135 HB THR 17 HB THR 17 1.555 25.723 3.696 136 HG1 THR 17 HG1 THR 17 -0.030 27.100 4.553 137 1HG2 THR 17 1HG2 THR 17 -0.406 24.232 5.464 138 2HG2 THR 17 2HG2 THR 17 0.359 23.636 3.992 139 3HG2 THR 17 3HG2 THR 17 -0.812 24.949 3.911 140 H GLN 18 H GLN 18 2.850 22.516 5.827 141 HA GLN 18 HA GLN 18 2.025 20.680 7.051 142 1HB GLN 18 2HB GLN 18 1.006 22.786 8.983 143 2HB GLN 18 1HB GLN 18 1.550 21.151 9.361 144 1HG GLN 18 2HG GLN 18 3.827 21.931 8.367 145 2HG GLN 18 1HG GLN 18 3.195 23.559 8.617 146 1HE2 GLN 18 1HE2 GLN 18 5.144 21.381 10.113 147 2HE2 GLN 18 2HE2 GLN 18 4.813 21.744 11.738 148 H VAL 19 H VAL 19 0.509 22.204 5.074 149 HA VAL 19 HA VAL 19 -1.958 22.916 4.985 150 HB VAL 19 HB VAL 19 -1.073 21.916 3.026 151 1HG1 VAL 19 1HG1 VAL 19 -0.984 19.203 3.140 152 2HG1 VAL 19 2HG1 VAL 19 -0.554 19.606 4.802 153 3HG1 VAL 19 3HG1 VAL 19 0.401 20.241 3.467 154 1HG2 VAL 19 1HG2 VAL 19 -2.874 19.702 3.010 155 2HG2 VAL 19 2HG2 VAL 19 -3.090 21.285 2.263 156 3HG2 VAL 19 3HG2 VAL 19 -3.637 21.008 3.915 157 H SER 20 H SER 20 -2.410 19.515 5.048 158 HA SER 20 HA SER 20 -3.794 19.627 7.638 159 1HB SER 20 2HB SER 20 -5.782 19.241 6.612 160 2HB SER 20 1HB SER 20 -4.973 19.648 5.108 161 HG SER 20 HG SER 20 -4.581 17.541 4.744 162 H VAL 21 H VAL 21 -1.160 18.621 6.496 163 HA VAL 21 HA VAL 21 -0.494 16.191 5.889 164 HB VAL 21 HB VAL 21 0.994 16.080 7.877 165 1HG1 VAL 21 1HG1 VAL 21 0.848 18.980 7.191 166 2HG1 VAL 21 2HG1 VAL 21 1.109 17.832 5.877 167 3HG1 VAL 21 3HG1 VAL 21 2.246 17.905 7.223 168 1HG2 VAL 21 1HG2 VAL 21 -0.824 18.297 8.845 169 2HG2 VAL 21 2HG2 VAL 21 0.759 17.966 9.547 170 3HG2 VAL 21 3HG2 VAL 21 -0.516 16.750 9.634 171 H SER 22 H SER 22 -2.389 16.887 8.694 172 HA SER 22 HA SER 22 -2.755 14.069 9.476 173 1HB SER 22 2HB SER 22 -4.194 15.075 11.196 174 2HB SER 22 1HB SER 22 -2.698 15.994 11.060 175 HG SER 22 HG SER 22 -5.258 16.605 10.007 176 H LYS 23 H LYS 23 -4.674 16.553 7.779 177 HA LYS 23 HA LYS 23 -6.876 14.650 7.435 178 1HB LYS 23 2HB LYS 23 -7.816 16.679 7.857 179 2HB LYS 23 1HB LYS 23 -6.409 17.557 7.273 180 1HG LYS 23 2HG LYS 23 -7.093 17.356 5.008 181 2HG LYS 23 1HG LYS 23 -8.269 16.103 5.399 182 1HD LYS 23 2HD LYS 23 -9.480 18.171 5.055 183 2HD LYS 23 1HD LYS 23 -9.508 17.810 6.783 184 1HE LYS 23 2HE LYS 23 -7.692 19.384 7.196 185 2HE LYS 23 1HE LYS 23 -7.512 19.678 5.456 186 1HZ LYS 23 1HZ LYS 23 -9.853 20.373 5.400 187 2HZ LYS 23 2HZ LYS 23 -8.921 21.371 6.410 188 3HZ LYS 23 3HZ LYS 23 -9.945 20.195 7.085 189 H MET 24 H MET 24 -4.154 15.940 5.517 190 HA MET 24 HA MET 24 -5.410 15.086 3.018 191 1HB MET 24 2HB MET 24 -2.688 15.147 2.492 192 2HB MET 24 1HB MET 24 -3.799 16.482 2.258 193 1HG MET 24 2HG MET 24 -2.895 17.675 3.964 194 2HG MET 24 1HG MET 24 -2.763 16.258 5.009 195 1HE MET 24 1HE MET 24 -1.465 14.532 4.814 196 2HE MET 24 2HE MET 24 0.217 14.469 4.294 197 3HE MET 24 3HE MET 24 -1.072 14.177 3.126 198 H LEU 25 H LEU 25 -3.201 13.672 5.436 199 HA LEU 25 HA LEU 25 -2.848 11.234 3.855 200 1HB LEU 25 2HB LEU 25 -2.150 12.251 6.578 201 2HB LEU 25 1HB LEU 25 -2.095 10.508 6.299 202 HG LEU 25 HG LEU 25 -0.827 12.380 4.333 203 1HD1 LEU 25 1HD1 LEU 25 1.283 12.220 5.569 204 2HD1 LEU 25 2HD1 LEU 25 0.480 11.298 6.841 205 3HD1 LEU 25 3HD1 LEU 25 0.046 12.984 6.565 206 1HD2 LEU 25 1HD2 LEU 25 -0.926 10.121 3.590 207 2HD2 LEU 25 2HD2 LEU 25 -0.493 9.498 5.181 208 3HD2 LEU 25 3HD2 LEU 25 0.718 10.320 4.198 209 H ALA 26 H ALA 26 -4.917 12.358 6.505 210 HA ALA 26 HA ALA 26 -6.246 9.855 7.007 211 1HB ALA 26 1HB ALA 26 -7.974 11.389 7.995 212 2HB ALA 26 2HB ALA 26 -7.113 12.753 7.286 213 3HB ALA 26 3HB ALA 26 -6.339 11.774 8.532 214 H SER 27 H SER 27 -6.682 12.505 4.732 215 HA SER 27 HA SER 27 -9.138 11.397 3.559 216 1HB SER 27 2HB SER 27 -8.941 13.330 2.099 217 2HB SER 27 1HB SER 27 -8.519 13.850 3.727 218 HG SER 27 HG SER 27 -7.069 14.093 1.582 219 H PHE 28 H PHE 28 -5.670 11.321 3.041 220 HA PHE 28 HA PHE 28 -5.523 10.387 0.373 221 1HB PHE 28 2HB PHE 28 -3.450 10.837 1.237 222 2HB PHE 28 1HB PHE 28 -3.924 10.348 2.854 223 HD1 PHE 28 HD1 PHE 28 -2.317 9.334 -0.237 224 HD2 PHE 28 HD2 PHE 28 -3.987 7.876 3.444 225 HE1 PHE 28 HE1 PHE 28 -1.055 7.242 -0.491 226 HE2 PHE 28 HE2 PHE 28 -2.725 5.780 3.181 227 HZ PHE 28 HZ PHE 28 -1.252 5.453 1.206 228 H GLU 29 H GLU 29 -6.120 8.593 3.402 229 HA GLU 29 HA GLU 29 -6.339 6.052 2.021 230 1HB GLU 29 2HB GLU 29 -5.838 6.152 4.410 231 2HB GLU 29 1HB GLU 29 -7.314 7.082 4.702 232 1HG GLU 29 2HG GLU 29 -7.971 4.724 3.205 233 2HG GLU 29 1HG GLU 29 -7.039 4.267 4.622 234 H LYS 30 H LYS 30 -8.414 8.707 3.056 235 HA LYS 30 HA LYS 30 -10.941 7.538 2.421 236 1HB LYS 30 2HB LYS 30 -10.448 9.687 3.690 237 2HB LYS 30 1HB LYS 30 -10.105 10.440 2.131 238 1HG LYS 30 2HG LYS 30 -12.350 9.959 1.341 239 2HG LYS 30 1HG LYS 30 -12.711 9.056 2.813 240 1HD LYS 30 2HD LYS 30 -13.646 11.122 3.332 241 2HD LYS 30 1HD LYS 30 -12.025 11.317 3.998 242 1HE LYS 30 2HE LYS 30 -11.363 12.776 2.319 243 2HE LYS 30 1HE LYS 30 -12.469 12.065 1.126 244 1HZ LYS 30 1HZ LYS 30 -13.371 14.154 1.842 245 2HZ LYS 30 2HZ LYS 30 -13.215 13.723 3.477 246 3HZ LYS 30 3HZ LYS 30 -14.332 12.914 2.485 247 H ILE 31 H ILE 31 -8.334 8.782 0.448 248 HA ILE 31 HA ILE 31 -10.112 8.624 -1.934 249 HB ILE 31 HB ILE 31 -8.007 9.679 -2.994 250 1HG1 ILE 31 2HG1 ILE 31 -7.286 11.239 -0.793 251 2HG1 ILE 31 1HG1 ILE 31 -7.197 9.567 -0.264 252 1HG2 ILE 31 1HG2 ILE 31 -9.946 11.035 -1.139 253 2HG2 ILE 31 2HG2 ILE 31 -10.036 10.898 -2.895 254 3HG2 ILE 31 3HG2 ILE 31 -8.832 11.952 -2.153 255 1HD1 ILE 31 1HD1 ILE 31 -5.602 8.989 -1.826 256 2HD1 ILE 31 2HD1 ILE 31 -5.159 10.671 -1.531 257 3HD1 ILE 31 3HD1 ILE 31 -6.112 10.245 -2.953 258 H ILE 32 H ILE 32 -7.360 7.206 -0.383 259 HA ILE 32 HA ILE 32 -6.465 5.572 -2.615 260 HB ILE 32 HB ILE 32 -6.244 5.271 0.389 261 1HG1 ILE 32 2HG1 ILE 32 -5.099 7.188 -1.246 262 2HG1 ILE 32 1HG1 ILE 32 -4.446 6.672 0.308 263 1HG2 ILE 32 1HG2 ILE 32 -4.939 3.775 -1.891 264 2HG2 ILE 32 2HG2 ILE 32 -5.884 3.114 -0.556 265 3HG2 ILE 32 3HG2 ILE 32 -4.277 3.776 -0.256 266 1HD1 ILE 32 1HD1 ILE 32 -2.833 6.626 -1.668 267 2HD1 ILE 32 2HD1 ILE 32 -3.773 5.265 -2.275 268 3HD1 ILE 32 3HD1 ILE 32 -2.947 5.144 -0.721 269 H THR 33 H THR 33 -8.195 4.846 0.368 270 HA THR 33 HA THR 33 -9.100 2.305 -0.538 271 HB THR 33 HB THR 33 -9.154 3.982 1.788 272 HG1 THR 33 HG1 THR 33 -9.114 2.051 2.764 273 1HG2 THR 33 1HG2 THR 33 -11.335 3.294 2.706 274 2HG2 THR 33 2HG2 THR 33 -11.770 2.651 1.121 275 3HG2 THR 33 3HG2 THR 33 -11.493 4.382 1.328 276 H GLU 34 H GLU 34 -10.579 5.566 -0.407 277 HA GLU 34 HA GLU 34 -13.122 4.733 -1.484 278 1HB GLU 34 2HB GLU 34 -11.596 7.319 -1.261 279 2HB GLU 34 1HB GLU 34 -13.238 7.254 -1.895 280 1HG GLU 34 2HG GLU 34 -12.407 6.157 0.820 281 2HG GLU 34 1HG GLU 34 -13.186 7.721 0.580 282 H THR 35 H THR 35 -10.062 5.840 -3.066 283 HA THR 35 HA THR 35 -11.172 6.252 -5.678 284 HB THR 35 HB THR 35 -8.479 5.421 -4.600 285 HG1 THR 35 HG1 THR 35 -9.391 7.573 -6.211 286 1HG2 THR 35 1HG2 THR 35 -8.012 5.871 -7.285 287 2HG2 THR 35 2HG2 THR 35 -9.497 4.926 -7.313 288 3HG2 THR 35 3HG2 THR 35 -8.065 4.284 -6.519 289 H VAL 36 H VAL 36 -9.744 3.345 -4.192 290 HA VAL 36 HA VAL 36 -10.256 1.546 -6.323 291 HB VAL 36 HB VAL 36 -10.035 1.436 -3.335 292 1HG1 VAL 36 1HG1 VAL 36 -11.387 -0.627 -5.011 293 2HG1 VAL 36 2HG1 VAL 36 -11.622 -0.228 -3.312 294 3HG1 VAL 36 3HG1 VAL 36 -10.237 -1.200 -3.805 295 1HG2 VAL 36 1HG2 VAL 36 -8.149 1.407 -5.083 296 2HG2 VAL 36 2HG2 VAL 36 -8.666 -0.241 -5.437 297 3HG2 VAL 36 3HG2 VAL 36 -8.089 0.176 -3.823 298 H ALA 37 H ALA 37 -12.371 2.725 -3.723 299 HA ALA 37 HA ALA 37 -14.686 1.194 -4.625 300 1HB ALA 37 1HB ALA 37 -15.775 2.278 -2.815 301 2HB ALA 37 2HB ALA 37 -14.630 3.619 -2.837 302 3HB ALA 37 3HB ALA 37 -14.117 2.033 -2.289 303 H LYS 38 H LYS 38 -13.064 3.964 -5.698 304 HA LYS 38 HA LYS 38 -15.528 5.114 -6.950 305 1HB LYS 38 2HB LYS 38 -13.161 6.188 -5.763 306 2HB LYS 38 1HB LYS 38 -13.087 6.558 -7.485 307 1HG LYS 38 2HG LYS 38 -14.259 8.361 -6.346 308 2HG LYS 38 1HG LYS 38 -15.412 7.471 -7.340 309 1HD LYS 38 2HD LYS 38 -16.524 7.713 -5.269 310 2HD LYS 38 1HD LYS 38 -15.870 6.075 -5.209 311 1HE LYS 38 2HE LYS 38 -15.254 7.001 -3.109 312 2HE LYS 38 1HE LYS 38 -13.788 7.204 -4.090 313 1HZ LYS 38 1HZ LYS 38 -14.531 9.275 -2.955 314 2HZ LYS 38 2HZ LYS 38 -15.943 9.237 -3.898 315 3HZ LYS 38 3HZ LYS 38 -14.427 9.416 -4.642 316 H GLY 39 H GLY 39 -13.309 2.817 -7.464 317 1HA GLY 39 2HA GLY 39 -12.663 1.651 -9.338 318 2HA GLY 39 1HA GLY 39 -13.853 2.589 -10.236 319 H ASP 40 H ASP 40 -10.849 3.504 -8.499 320 HA ASP 40 HA ASP 40 -9.910 4.686 -11.107 321 1HB ASP 40 2HB ASP 40 -10.542 5.923 -8.560 322 2HB ASP 40 1HB ASP 40 -8.854 6.211 -8.983 323 H LYS 41 H LYS 41 -7.549 4.812 -11.293 324 HA LYS 41 HA LYS 41 -6.202 2.657 -9.722 325 1HB LYS 41 2HB LYS 41 -5.517 3.948 -12.382 326 2HB LYS 41 1HB LYS 41 -4.736 2.527 -11.690 327 1HG LYS 41 2HG LYS 41 -6.267 1.352 -12.888 328 2HG LYS 41 1HG LYS 41 -7.385 1.802 -11.601 329 1HD LYS 41 2HD LYS 41 -7.495 4.039 -13.142 330 2HD LYS 41 1HD LYS 41 -7.194 2.818 -14.378 331 1HE LYS 41 2HE LYS 41 -9.314 2.356 -12.279 332 2HE LYS 41 1HE LYS 41 -9.674 3.299 -13.740 333 1HZ LYS 41 1HZ LYS 41 -8.558 0.547 -13.628 334 2HZ LYS 41 2HZ LYS 41 -8.692 1.465 -15.050 335 3HZ LYS 41 3HZ LYS 41 -10.088 0.995 -14.204 336 H VAL 42 H VAL 42 -5.507 3.934 -7.924 337 HA VAL 42 HA VAL 42 -3.886 6.360 -8.387 338 HB VAL 42 HB VAL 42 -5.127 4.872 -6.103 339 1HG1 VAL 42 1HG1 VAL 42 -2.595 6.428 -5.937 340 2HG1 VAL 42 2HG1 VAL 42 -3.169 5.108 -4.922 341 3HG1 VAL 42 3HG1 VAL 42 -3.806 6.736 -4.694 342 1HG2 VAL 42 1HG2 VAL 42 -6.203 6.796 -7.317 343 2HG2 VAL 42 2HG2 VAL 42 -4.912 7.830 -6.706 344 3HG2 VAL 42 3HG2 VAL 42 -6.025 7.051 -5.582 345 H GLN 43 H GLN 43 -2.022 5.500 -9.481 346 HA GLN 43 HA GLN 43 -0.504 3.304 -8.231 347 1HB GLN 43 2HB GLN 43 -0.307 3.055 -10.487 348 2HB GLN 43 1HB GLN 43 -0.716 4.741 -10.793 349 1HG GLN 43 2HG GLN 43 1.509 5.458 -10.510 350 2HG GLN 43 1HG GLN 43 1.973 3.978 -9.670 351 1HE2 GLN 43 1HE2 GLN 43 1.369 5.384 -12.858 352 2HE2 GLN 43 2HE2 GLN 43 1.975 4.073 -13.750 353 H LEU 44 H LEU 44 1.590 3.558 -7.351 354 HA LEU 44 HA LEU 44 2.406 6.378 -6.706 355 1HB LEU 44 2HB LEU 44 2.794 3.782 -5.184 356 2HB LEU 44 1HB LEU 44 3.335 5.362 -4.640 357 HG LEU 44 HG LEU 44 0.495 4.383 -4.965 358 1HD1 LEU 44 1HD1 LEU 44 1.589 3.928 -2.810 359 2HD1 LEU 44 2HD1 LEU 44 0.360 5.164 -2.605 360 3HD1 LEU 44 3HD1 LEU 44 2.062 5.615 -2.675 361 1HD2 LEU 44 1HD2 LEU 44 0.217 6.518 -5.833 362 2HD2 LEU 44 2HD2 LEU 44 1.615 7.161 -4.970 363 3HD2 LEU 44 3HD2 LEU 44 0.104 6.869 -4.108 364 H THR 45 H THR 45 4.239 6.887 -7.864 365 HA THR 45 HA THR 45 6.141 6.462 -9.265 366 HB THR 45 HB THR 45 7.298 7.108 -7.383 367 HG1 THR 45 HG1 THR 45 8.913 5.854 -7.736 368 1HG2 THR 45 1HG2 THR 45 6.053 4.762 -5.926 369 2HG2 THR 45 2HG2 THR 45 5.610 6.456 -5.769 370 3HG2 THR 45 3HG2 THR 45 7.181 5.903 -5.196 371 H GLY 46 H GLY 46 6.806 3.658 -7.223 372 1HA GLY 46 2HA GLY 46 5.961 1.792 -9.334 373 2HA GLY 46 1HA GLY 46 7.697 1.873 -9.042 374 H PHE 47 H PHE 47 5.585 2.397 -6.304 375 HA PHE 47 HA PHE 47 6.243 -0.372 -5.396 376 1HB PHE 47 2HB PHE 47 6.591 0.499 -3.186 377 2HB PHE 47 1HB PHE 47 7.508 1.497 -4.306 378 HD1 PHE 47 HD1 PHE 47 7.225 3.817 -4.303 379 HD2 PHE 47 HD2 PHE 47 4.202 1.327 -2.555 380 HE1 PHE 47 HE1 PHE 47 6.072 5.819 -3.446 381 HE2 PHE 47 HE2 PHE 47 3.040 3.340 -1.703 382 HZ PHE 47 HZ PHE 47 3.973 5.586 -2.153 383 H LEU 48 H LEU 48 3.699 2.007 -5.739 384 HA LEU 48 HA LEU 48 1.838 -0.052 -4.640 385 1HB LEU 48 2HB LEU 48 2.244 2.761 -3.930 386 2HB LEU 48 1HB LEU 48 0.560 2.317 -4.161 387 HG LEU 48 HG LEU 48 2.463 1.506 -2.026 388 1HD1 LEU 48 1HD1 LEU 48 0.102 2.847 -2.143 389 2HD1 LEU 48 2HD1 LEU 48 0.728 2.065 -0.692 390 3HD1 LEU 48 3HD1 LEU 48 -0.449 1.231 -1.707 391 1HD2 LEU 48 1HD2 LEU 48 2.272 -0.694 -2.833 392 2HD2 LEU 48 2HD2 LEU 48 0.607 -0.455 -3.366 393 3HD2 LEU 48 3HD2 LEU 48 0.974 -0.585 -1.647 394 H ASN 49 H ASN 49 1.266 -0.827 -6.680 395 HA ASN 49 HA ASN 49 0.186 1.051 -8.726 396 1HB ASN 49 2HB ASN 49 1.632 -1.391 -8.654 397 2HB ASN 49 1HB ASN 49 0.047 -1.794 -9.311 398 1HD2 ASN 49 1HD2 ASN 49 3.063 -0.176 -9.992 399 2HD2 ASN 49 2HD2 ASN 49 2.661 0.352 -11.554 400 H ILE 50 H ILE 50 -1.797 1.571 -7.387 401 HA ILE 50 HA ILE 50 -3.603 -0.714 -6.869 402 HB ILE 50 HB ILE 50 -4.651 0.696 -5.355 403 1HG1 ILE 50 2HG1 ILE 50 -4.135 3.315 -5.696 404 2HG1 ILE 50 1HG1 ILE 50 -4.119 2.776 -7.374 405 1HG2 ILE 50 1HG2 ILE 50 -1.902 0.721 -5.314 406 2HG2 ILE 50 2HG2 ILE 50 -2.934 1.339 -4.025 407 3HG2 ILE 50 3HG2 ILE 50 -2.287 2.440 -5.241 408 1HD1 ILE 50 1HD1 ILE 50 -6.313 1.696 -5.690 409 2HD1 ILE 50 2HD1 ILE 50 -6.351 2.246 -7.364 410 3HD1 ILE 50 3HD1 ILE 50 -6.399 3.418 -6.049 411 H LYS 51 H LYS 51 -5.594 -1.013 -7.752 412 HA LYS 51 HA LYS 51 -7.067 0.833 -9.353 413 1HB LYS 51 2HB LYS 51 -6.658 -0.162 -11.593 414 2HB LYS 51 1HB LYS 51 -5.186 0.540 -10.927 415 1HG LYS 51 2HG LYS 51 -4.385 -1.645 -10.262 416 2HG LYS 51 1HG LYS 51 -5.911 -2.387 -10.741 417 1HD LYS 51 2HD LYS 51 -4.494 -0.785 -12.799 418 2HD LYS 51 1HD LYS 51 -3.792 -2.346 -12.370 419 1HE LYS 51 2HE LYS 51 -5.733 -3.536 -13.031 420 2HE LYS 51 1HE LYS 51 -6.740 -2.074 -13.004 421 1HZ LYS 51 1HZ LYS 51 -6.147 -2.509 -15.265 422 2HZ LYS 51 2HZ LYS 51 -4.504 -2.675 -14.868 423 3HZ LYS 51 3HZ LYS 51 -5.259 -1.157 -14.755 424 HA PRO 52 HA PRO 52 -9.461 -2.533 -7.685 425 1HB PRO 52 2HB PRO 52 -11.914 -1.401 -8.098 426 2HB PRO 52 1HB PRO 52 -10.834 -0.920 -6.774 427 1HG PRO 52 2HG PRO 52 -11.242 0.358 -9.434 428 2HG PRO 52 1HG PRO 52 -11.148 1.110 -7.834 429 1HD PRO 52 2HD PRO 52 -9.061 1.105 -9.524 430 2HD PRO 52 1HD PRO 52 -8.837 0.969 -7.763 431 H VAL 53 H VAL 53 -10.146 -4.310 -8.647 432 HA VAL 53 HA VAL 53 -11.409 -4.198 -11.344 433 HB VAL 53 HB VAL 53 -10.160 -6.225 -11.912 434 1HG1 VAL 53 1HG1 VAL 53 -8.067 -4.460 -10.698 435 2HG1 VAL 53 2HG1 VAL 53 -9.141 -3.764 -11.911 436 3HG1 VAL 53 3HG1 VAL 53 -8.140 -5.158 -12.316 437 1HG2 VAL 53 1HG2 VAL 53 -10.013 -7.311 -9.788 438 2HG2 VAL 53 2HG2 VAL 53 -9.198 -5.926 -9.068 439 3HG2 VAL 53 3HG2 VAL 53 -8.356 -6.923 -10.250 440 H ALA 54 H ALA 54 -11.621 -7.229 -11.025 441 HA ALA 54 HA ALA 54 -13.579 -7.383 -8.799 442 1HB ALA 54 1HB ALA 54 -14.571 -8.325 -11.441 443 2HB ALA 54 2HB ALA 54 -14.470 -6.580 -11.208 444 3HB ALA 54 3HB ALA 54 -15.448 -7.560 -10.115 445 H ARG 55 H ARG 55 -13.299 -9.278 -7.799 446 HA ARG 55 HA ARG 55 -13.112 -11.827 -9.157 447 1HB ARG 55 2HB ARG 55 -10.821 -10.537 -9.395 448 2HB ARG 55 1HB ARG 55 -10.590 -11.033 -7.719 449 1HG ARG 55 2HG ARG 55 -9.697 -12.888 -8.748 450 2HG ARG 55 1HG ARG 55 -11.388 -13.389 -8.724 451 1HD ARG 55 2HD ARG 55 -10.571 -13.732 -10.982 452 2HD ARG 55 1HD ARG 55 -11.617 -12.299 -11.025 453 HE ARG 55 HE ARG 55 -9.141 -11.240 -10.431 454 1HH1 ARG 55 2HH1 ARG 55 -7.852 -13.509 -11.822 455 2HH1 ARG 55 1HH1 ARG 55 -7.805 -12.975 -13.469 456 1HH2 ARG 55 1HH2 ARG 55 -10.166 -10.479 -13.004 457 2HH2 ARG 55 2HH2 ARG 55 -9.115 -11.260 -14.138 458 H GLN 56 H GLN 56 -14.444 -12.830 -7.659 459 HA GLN 56 HA GLN 56 -14.589 -12.155 -4.874 460 1HB GLN 56 2HB GLN 56 -15.271 -14.837 -6.092 461 2HB GLN 56 1HB GLN 56 -16.061 -14.025 -4.743 462 1HG GLN 56 2HG GLN 56 -16.301 -12.185 -6.808 463 2HG GLN 56 1HG GLN 56 -16.528 -13.732 -7.622 464 1HE2 GLN 56 1HE2 GLN 56 -18.603 -14.604 -7.485 465 2HE2 GLN 56 2HE2 GLN 56 -19.769 -14.160 -6.335 466 H ALA 57 H ALA 57 -14.451 -14.932 -3.825 467 HA ALA 57 HA ALA 57 -11.709 -15.862 -4.162 468 1HB ALA 57 1HB ALA 57 -10.907 -15.094 -1.996 469 2HB ALA 57 2HB ALA 57 -12.486 -14.406 -1.618 470 3HB ALA 57 3HB ALA 57 -11.504 -13.707 -2.905 471 H ARG 58 H ARG 58 -11.208 -17.442 -2.211 472 HA ARG 58 HA ARG 58 -13.451 -19.322 -2.057 473 1HB ARG 58 2HB ARG 58 -11.755 -20.845 -1.559 474 2HB ARG 58 1HB ARG 58 -10.875 -19.627 -2.473 475 1HG ARG 58 2HG ARG 58 -10.614 -18.613 0.014 476 2HG ARG 58 1HG ARG 58 -10.718 -20.327 0.391 477 1HD ARG 58 2HD ARG 58 -8.721 -20.823 -0.654 478 2HD ARG 58 1HD ARG 58 -8.934 -19.557 -1.876 479 HE ARG 58 HE ARG 58 -8.678 -18.159 0.508 480 1HH1 ARG 58 2HH1 ARG 58 -6.763 -19.489 -1.895 481 2HH1 ARG 58 1HH1 ARG 58 -5.275 -19.395 -1.014 482 1HH2 ARG 58 1HH2 ARG 58 -6.790 -18.471 1.966 483 2HH2 ARG 58 2HH2 ARG 58 -5.292 -18.819 1.171 484 H LYS 59 H LYS 59 -12.665 -20.521 0.443 485 HA LYS 59 HA LYS 59 -12.508 -19.468 2.858 486 1HB LYS 59 2HB LYS 59 -13.714 -17.456 2.367 487 2HB LYS 59 1HB LYS 59 -15.043 -18.349 1.625 488 1HG LYS 59 2HG LYS 59 -15.802 -19.163 3.732 489 2HG LYS 59 1HG LYS 59 -14.307 -18.686 4.537 490 1HD LYS 59 2HD LYS 59 -16.034 -17.068 5.092 491 2HD LYS 59 1HD LYS 59 -14.858 -16.295 4.028 492 1HE LYS 59 2HE LYS 59 -17.033 -15.699 3.175 493 2HE LYS 59 1HE LYS 59 -16.409 -16.953 2.084 494 1HZ LYS 59 1HZ LYS 59 -17.637 -18.610 3.182 495 2HZ LYS 59 2HZ LYS 59 -18.729 -17.325 2.981 496 3HZ LYS 59 3HZ LYS 59 -18.008 -17.600 4.493 497 H GLY 60 H GLY 60 -12.768 -21.381 3.984 498 1HA GLY 60 2HA GLY 60 -15.368 -22.680 4.061 499 2HA GLY 60 1HA GLY 60 -14.187 -23.617 3.153 500 H PHE 61 H PHE 61 -12.757 -24.860 4.267 501 HA PHE 61 HA PHE 61 -11.731 -24.451 6.884 502 1HB PHE 61 2HB PHE 61 -13.202 -25.953 8.187 503 2HB PHE 61 1HB PHE 61 -14.112 -24.599 7.538 504 HD1 PHE 61 HD1 PHE 61 -15.392 -27.117 8.452 505 HD2 PHE 61 HD2 PHE 61 -13.873 -26.068 4.578 506 HE1 PHE 61 HE1 PHE 61 -16.991 -28.663 7.396 507 HE2 PHE 61 HE2 PHE 61 -15.467 -27.598 3.535 508 HZ PHE 61 HZ PHE 61 -17.041 -28.912 4.931 509 H ASN 62 H ASN 62 -10.471 -26.331 7.606 510 HA ASN 62 HA ASN 62 -10.060 -28.314 5.425 511 1HB ASN 62 2HB ASN 62 -7.986 -27.446 5.693 512 2HB ASN 62 1HB ASN 62 -8.356 -26.821 7.296 513 1HD2 ASN 62 1HD2 ASN 62 -6.775 -27.701 8.665 514 2HD2 ASN 62 2HD2 ASN 62 -6.339 -29.341 8.707 515 HA PRO 63 HA PRO 63 -9.896 -31.028 9.399 516 1HB PRO 63 2HB PRO 63 -10.791 -29.902 11.739 517 2HB PRO 63 1HB PRO 63 -9.088 -29.885 11.236 518 1HG PRO 63 2HG PRO 63 -11.151 -27.747 11.000 519 2HG PRO 63 1HG PRO 63 -9.445 -27.620 11.459 520 1HD PRO 63 2HD PRO 63 -10.328 -26.981 8.996 521 2HD PRO 63 1HD PRO 63 -8.714 -27.669 9.270 522 H GLN 64 H GLN 64 -11.746 -31.187 7.722 523 HA GLN 64 HA GLN 64 -14.166 -32.037 9.009 524 1HB GLN 64 2HB GLN 64 -13.922 -29.287 8.682 525 2HB GLN 64 1HB GLN 64 -14.840 -29.778 7.262 526 1HG GLN 64 2HG GLN 64 -16.377 -29.270 9.096 527 2HG GLN 64 1HG GLN 64 -16.429 -30.996 8.739 528 1HE2 GLN 64 1HE2 GLN 64 -15.228 -28.595 11.076 529 2HE2 GLN 64 2HE2 GLN 64 -14.911 -29.711 12.316 530 H THR 65 H THR 65 -12.242 -33.031 7.123 531 HA THR 65 HA THR 65 -12.171 -34.222 5.096 532 HB THR 65 HB THR 65 -14.194 -35.166 4.411 533 HG1 THR 65 HG1 THR 65 -15.640 -32.910 5.295 534 1HG2 THR 65 1HG2 THR 65 -15.214 -35.826 6.353 535 2HG2 THR 65 2HG2 THR 65 -15.391 -34.175 6.947 536 3HG2 THR 65 3HG2 THR 65 -13.834 -34.994 7.070 537 H GLN 66 H GLN 66 -11.955 -31.209 5.247 538 HA GLN 66 HA GLN 66 -12.318 -30.701 2.353 539 1HB GLN 66 2HB GLN 66 -13.839 -29.607 4.560 540 2HB GLN 66 1HB GLN 66 -13.037 -28.327 3.659 541 1HG GLN 66 2HG GLN 66 -14.571 -28.514 2.025 542 2HG GLN 66 1HG GLN 66 -14.064 -30.177 1.747 543 1HE2 GLN 66 1HE2 GLN 66 -14.923 -31.132 4.435 544 2HE2 GLN 66 2HE2 GLN 66 -16.618 -31.142 4.411 545 H GLU 67 H GLU 67 -11.597 -27.872 2.815 546 HA GLU 67 HA GLU 67 -8.837 -28.030 3.897 547 1HB GLU 67 2HB GLU 67 -8.047 -26.937 1.784 548 2HB GLU 67 1HB GLU 67 -8.720 -28.540 1.491 549 1HG GLU 67 2HG GLU 67 -10.938 -27.382 0.997 550 2HG GLU 67 1HG GLU 67 -10.041 -25.863 0.998 551 H ALA 68 H ALA 68 -8.663 -26.292 5.247 552 HA ALA 68 HA ALA 68 -10.634 -24.156 5.239 553 1HB ALA 68 1HB ALA 68 -8.821 -23.420 7.084 554 2HB ALA 68 2HB ALA 68 -8.381 -25.116 6.921 555 3HB ALA 68 3HB ALA 68 -10.018 -24.672 7.392 556 H LEU 69 H LEU 69 -10.362 -22.118 4.524 557 HA LEU 69 HA LEU 69 -7.689 -21.348 3.419 558 1HB LEU 69 2HB LEU 69 -10.250 -20.759 1.971 559 2HB LEU 69 1HB LEU 69 -8.636 -21.019 1.307 560 HG LEU 69 HG LEU 69 -9.025 -23.448 2.389 561 1HD1 LEU 69 1HD1 LEU 69 -11.743 -22.246 2.034 562 2HD1 LEU 69 2HD1 LEU 69 -11.163 -23.349 3.280 563 3HD1 LEU 69 3HD1 LEU 69 -11.516 -23.955 1.663 564 1HD2 LEU 69 1HD2 LEU 69 -8.468 -23.339 0.116 565 2HD2 LEU 69 2HD2 LEU 69 -9.893 -22.379 -0.282 566 3HD2 LEU 69 3HD2 LEU 69 -10.063 -24.089 0.109 567 H GLU 70 H GLU 70 -8.701 -18.892 2.283 568 HA GLU 70 HA GLU 70 -10.308 -17.253 3.915 569 1HB GLU 70 2HB GLU 70 -8.945 -17.810 5.819 570 2HB GLU 70 1HB GLU 70 -7.455 -17.570 4.908 571 1HG GLU 70 2HG GLU 70 -7.579 -15.266 5.055 572 2HG GLU 70 1HG GLU 70 -9.341 -15.261 5.138 573 H ILE 71 H ILE 71 -10.555 -15.483 2.639 574 HA ILE 71 HA ILE 71 -8.265 -14.048 1.492 575 HB ILE 71 HB ILE 71 -9.715 -14.368 -0.752 576 1HG1 ILE 71 2HG1 ILE 71 -10.394 -16.749 -0.918 577 2HG1 ILE 71 1HG1 ILE 71 -10.096 -16.927 0.804 578 1HG2 ILE 71 1HG2 ILE 71 -7.770 -16.494 0.127 579 2HG2 ILE 71 2HG2 ILE 71 -7.261 -14.863 -0.304 580 3HG2 ILE 71 3HG2 ILE 71 -8.042 -15.890 -1.507 581 1HD1 ILE 71 1HD1 ILE 71 -12.456 -15.990 -0.449 582 2HD1 ILE 71 2HD1 ILE 71 -11.742 -14.608 0.369 583 3HD1 ILE 71 3HD1 ILE 71 -12.119 -16.069 1.280 584 H ALA 72 H ALA 72 -9.965 -12.670 -0.434 585 HA ALA 72 HA ALA 72 -12.081 -11.494 1.306 586 1HB ALA 72 1HB ALA 72 -10.874 -9.322 0.081 587 2HB ALA 72 2HB ALA 72 -9.511 -10.371 0.464 588 3HB ALA 72 3HB ALA 72 -10.601 -9.839 1.745 589 HA PRO 73 HA PRO 73 -13.771 -12.051 -2.957 590 1HB PRO 73 2HB PRO 73 -16.374 -12.133 -2.081 591 2HB PRO 73 1HB PRO 73 -15.326 -13.566 -2.168 592 1HG PRO 73 2HG PRO 73 -15.958 -11.830 0.187 593 2HG PRO 73 1HG PRO 73 -15.905 -13.600 0.082 594 1HD PRO 73 2HD PRO 73 -13.867 -12.243 1.141 595 2HD PRO 73 1HD PRO 73 -13.574 -13.665 0.110 596 H SER 74 H SER 74 -13.636 -10.058 -3.886 597 HA SER 74 HA SER 74 -15.627 -8.049 -3.660 598 1HB SER 74 2HB SER 74 -14.066 -6.358 -2.484 599 2HB SER 74 1HB SER 74 -14.805 -7.585 -1.462 600 HG SER 74 HG SER 74 -12.916 -8.578 -1.268 601 H VAL 75 H VAL 75 -14.140 -5.790 -4.384 602 HA VAL 75 HA VAL 75 -13.462 -6.131 -7.076 603 HB VAL 75 HB VAL 75 -13.656 -3.991 -5.732 604 1HG1 VAL 75 1HG1 VAL 75 -10.748 -4.438 -5.053 605 2HG1 VAL 75 2HG1 VAL 75 -12.029 -4.921 -3.943 606 3HG1 VAL 75 3HG1 VAL 75 -11.846 -3.225 -4.396 607 1HG2 VAL 75 1HG2 VAL 75 -12.850 -3.404 -7.786 608 2HG2 VAL 75 2HG2 VAL 75 -11.549 -4.586 -7.712 609 3HG2 VAL 75 3HG2 VAL 75 -11.390 -3.059 -6.861 610 H GLY 76 H GLY 76 -11.217 -6.328 -8.088 611 1HA GLY 76 2HA GLY 76 -9.640 -8.240 -6.441 612 2HA GLY 76 1HA GLY 76 -9.402 -7.945 -8.164 613 H VAL 77 H VAL 77 -9.490 -5.943 -5.241 614 HA VAL 77 HA VAL 77 -8.100 -3.758 -5.735 615 HB VAL 77 HB VAL 77 -7.758 -5.766 -3.504 616 1HG1 VAL 77 1HG1 VAL 77 -6.379 -3.087 -3.822 617 2HG1 VAL 77 2HG1 VAL 77 -5.639 -4.645 -3.449 618 3HG1 VAL 77 3HG1 VAL 77 -6.645 -3.836 -2.247 619 1HG2 VAL 77 1HG2 VAL 77 -8.776 -3.470 -2.474 620 2HG2 VAL 77 2HG2 VAL 77 -9.777 -4.746 -3.156 621 3HG2 VAL 77 3HG2 VAL 77 -9.349 -3.342 -4.131 622 H SER 78 H SER 78 -6.837 -3.851 -7.471 623 HA SER 78 HA SER 78 -4.714 -5.572 -8.137 624 1HB SER 78 2HB SER 78 -5.782 -4.010 -9.646 625 2HB SER 78 1HB SER 78 -5.159 -2.647 -8.719 626 HG SER 78 HG SER 78 -3.690 -4.596 -10.170 627 H VAL 79 H VAL 79 -4.528 -2.534 -6.236 628 HA VAL 79 HA VAL 79 -1.883 -1.928 -6.245 629 HB VAL 79 HB VAL 79 -3.605 -0.814 -4.919 630 1HG1 VAL 79 1HG1 VAL 79 -3.497 -2.622 -2.615 631 2HG1 VAL 79 2HG1 VAL 79 -4.227 -3.366 -4.037 632 3HG1 VAL 79 3HG1 VAL 79 -4.893 -1.869 -3.386 633 1HG2 VAL 79 1HG2 VAL 79 -1.525 -1.808 -2.962 634 2HG2 VAL 79 2HG2 VAL 79 -2.307 -0.229 -2.997 635 3HG2 VAL 79 3HG2 VAL 79 -1.134 -0.659 -4.241 636 H LYS 80 H LYS 80 -0.147 -2.290 -4.702 637 HA LYS 80 HA LYS 80 0.171 -4.462 -2.918 638 1HB LYS 80 2HB LYS 80 0.806 -6.228 -4.280 639 2HB LYS 80 1HB LYS 80 -0.186 -5.390 -5.462 640 1HG LYS 80 2HG LYS 80 2.809 -5.013 -5.157 641 2HG LYS 80 1HG LYS 80 2.035 -6.026 -6.373 642 1HD LYS 80 2HD LYS 80 1.094 -4.195 -7.497 643 2HD LYS 80 1HD LYS 80 1.254 -3.132 -6.100 644 1HE LYS 80 2HE LYS 80 3.012 -2.418 -7.515 645 2HE LYS 80 1HE LYS 80 3.832 -3.539 -6.409 646 1HZ LYS 80 1HZ LYS 80 3.383 -5.335 -7.994 647 2HZ LYS 80 2HZ LYS 80 4.348 -4.119 -8.686 648 3HZ LYS 80 3HZ LYS 80 2.695 -4.220 -9.070 649 HA PRO 81 HA PRO 81 4.132 -2.415 -2.623 650 1HB PRO 81 2HB PRO 81 5.842 -4.441 -1.959 651 2HB PRO 81 1HB PRO 81 4.628 -3.806 -0.829 652 1HG PRO 81 2HG PRO 81 4.594 -6.298 -2.438 653 2HG PRO 81 1HG PRO 81 3.938 -5.983 -0.825 654 1HD PRO 81 2HD PRO 81 2.439 -6.081 -3.149 655 2HD PRO 81 1HD PRO 81 1.939 -5.274 -1.649 656 H GLY 82 H GLY 82 5.540 -1.742 -4.251 657 1HA GLY 82 2HA GLY 82 6.078 -3.656 -6.482 658 2HA GLY 82 1HA GLY 82 6.147 -1.902 -6.625 659 H GLU 83 H GLU 83 8.324 -2.773 -7.631 660 HA GLU 83 HA GLU 83 10.399 -3.496 -5.693 661 1HB GLU 83 2HB GLU 83 11.858 -3.318 -7.709 662 2HB GLU 83 1HB GLU 83 10.454 -4.350 -7.974 663 1HG GLU 83 2HG GLU 83 9.896 -1.550 -8.600 664 2HG GLU 83 1HG GLU 83 11.225 -2.196 -9.563 665 H SER 84 H SER 84 9.173 -0.527 -7.108 666 HA SER 84 HA SER 84 11.380 1.213 -6.881 667 1HB SER 84 2HB SER 84 9.043 1.706 -7.711 668 2HB SER 84 1HB SER 84 8.513 1.760 -6.033 669 HG SER 84 HG SER 84 9.798 3.630 -7.508 670 H LEU 85 H LEU 85 9.317 -0.200 -4.434 671 HA LEU 85 HA LEU 85 10.498 1.333 -2.224 672 1HB LEU 85 2HB LEU 85 8.186 0.790 -2.039 673 2HB LEU 85 1HB LEU 85 8.443 -0.854 -2.607 674 HG LEU 85 HG LEU 85 9.236 -1.583 -0.538 675 1HD1 LEU 85 1HD1 LEU 85 10.826 -0.386 0.505 676 2HD1 LEU 85 2HD1 LEU 85 9.573 0.703 1.093 677 3HD1 LEU 85 3HD1 LEU 85 10.399 1.048 -0.416 678 1HD2 LEU 85 1HD2 LEU 85 7.663 -0.725 1.154 679 2HD2 LEU 85 2HD2 LEU 85 6.854 -0.928 -0.399 680 3HD2 LEU 85 3HD2 LEU 85 7.335 0.680 0.142 681 H LYS 86 H LYS 86 10.746 -1.893 -3.682 682 HA LYS 86 HA LYS 86 12.470 -2.989 -1.627 683 1HB LYS 86 2HB LYS 86 11.082 -3.868 -3.891 684 2HB LYS 86 1HB LYS 86 12.778 -4.073 -4.326 685 1HG LYS 86 2HG LYS 86 13.181 -5.406 -2.333 686 2HG LYS 86 1HG LYS 86 11.540 -5.106 -1.759 687 1HD LYS 86 2HD LYS 86 11.175 -6.103 -4.340 688 2HD LYS 86 1HD LYS 86 12.490 -7.080 -3.687 689 1HE LYS 86 2HE LYS 86 11.156 -7.728 -1.773 690 2HE LYS 86 1HE LYS 86 9.873 -6.586 -2.223 691 1HZ LYS 86 1HZ LYS 86 9.752 -7.764 -4.395 692 2HZ LYS 86 2HZ LYS 86 9.267 -8.716 -3.072 693 3HZ LYS 86 3HZ LYS 86 10.798 -8.945 -3.772 694 H LYS 87 H LYS 87 12.924 -1.156 -4.552 695 HA LYS 87 HA LYS 87 15.791 -1.529 -4.686 696 1HB LYS 87 2HB LYS 87 14.540 -0.971 -6.679 697 2HB LYS 87 1HB LYS 87 13.784 0.409 -5.886 698 1HG LYS 87 2HG LYS 87 15.481 1.746 -6.526 699 2HG LYS 87 1HG LYS 87 16.642 0.699 -5.713 700 1HD LYS 87 2HD LYS 87 15.787 -0.608 -8.118 701 2HD LYS 87 1HD LYS 87 16.255 1.045 -8.519 702 1HE LYS 87 2HE LYS 87 18.305 -0.125 -8.650 703 2HE LYS 87 1HE LYS 87 18.347 0.533 -7.002 704 1HZ LYS 87 1HZ LYS 87 18.785 -1.917 -7.166 705 2HZ LYS 87 2HZ LYS 87 17.172 -2.110 -7.666 706 3HZ LYS 87 3HZ LYS 87 17.518 -1.486 -6.124 707 H ALA 88 H ALA 88 13.514 0.785 -3.289 708 HA ALA 88 HA ALA 88 15.478 2.689 -2.345 709 1HB ALA 88 1HB ALA 88 12.756 1.901 -1.240 710 2HB ALA 88 2HB ALA 88 13.002 3.052 -2.553 711 3HB ALA 88 3HB ALA 88 13.596 3.421 -0.934 712 H ALA 89 H ALA 89 14.099 -0.345 -1.199 713 HA ALA 89 HA ALA 89 15.127 -0.262 1.478 714 1HB ALA 89 1HB ALA 89 14.483 -2.580 -0.378 715 2HB ALA 89 2HB ALA 89 13.360 -1.795 0.729 716 3HB ALA 89 3HB ALA 89 14.714 -2.729 1.364 717 H GLU 90 H GLU 90 16.546 -1.234 -1.605 718 HA GLU 90 HA GLU 90 18.997 -2.325 -0.545 719 1HB GLU 90 2HB GLU 90 17.845 -1.489 -3.071 720 2HB GLU 90 1HB GLU 90 19.481 -0.844 -2.940 721 1HG GLU 90 2HG GLU 90 19.865 -3.385 -2.024 722 2HG GLU 90 1HG GLU 90 18.575 -3.650 -3.196 723 H GLY 91 H GLY 91 17.597 0.829 -0.921 724 1HA GLY 91 2HA GLY 91 19.864 2.519 -0.650 725 2HA GLY 91 1HA GLY 91 18.220 2.951 -0.181 726 H LEU 92 H LEU 92 17.650 1.218 1.945 727 HA LEU 92 HA LEU 92 19.382 2.346 4.034 728 1HB LEU 92 2HB LEU 92 17.964 0.890 5.534 729 2HB LEU 92 1HB LEU 92 17.045 1.997 4.530 730 HG LEU 92 HG LEU 92 16.589 0.137 2.931 731 1HD1 LEU 92 1HD1 LEU 92 18.178 -1.443 4.964 732 2HD1 LEU 92 2HD1 LEU 92 18.439 -1.352 3.222 733 3HD1 LEU 92 3HD1 LEU 92 17.039 -2.205 3.859 734 1HD2 LEU 92 1HD2 LEU 92 14.822 -0.656 4.181 735 2HD2 LEU 92 2HD2 LEU 92 15.316 0.676 5.226 736 3HD2 LEU 92 3HD2 LEU 92 15.828 -0.970 5.593 737 H LYS 93 H LYS 93 20.567 0.535 1.984 738 HA LYS 93 HA LYS 93 22.305 -1.065 1.945 739 1HB LYS 93 2HB LYS 93 23.385 -0.377 3.898 740 2HB LYS 93 1HB LYS 93 21.940 -0.542 4.885 741 1HG LYS 93 2HG LYS 93 22.299 -2.781 5.298 742 2HG LYS 93 1HG LYS 93 23.016 -3.065 3.711 743 1HD LYS 93 2HD LYS 93 24.789 -3.282 5.320 744 2HD LYS 93 1HD LYS 93 25.036 -1.740 4.498 745 1HE LYS 93 2HE LYS 93 24.395 -0.489 6.359 746 2HE LYS 93 1HE LYS 93 23.392 -1.797 7.017 747 1HZ LYS 93 1HZ LYS 93 25.530 -1.560 8.198 748 2HZ LYS 93 2HZ LYS 93 26.350 -1.908 6.752 749 3HZ LYS 93 3HZ LYS 93 25.354 -3.081 7.471 750 H TYR 94 H TYR 94 20.911 -2.659 0.862 751 HA TYR 94 HA TYR 94 18.999 -4.156 2.372 752 1HB TYR 94 2HB TYR 94 19.015 -4.372 -0.066 753 2HB TYR 94 1HB TYR 94 20.658 -5.041 -0.012 754 HD1 TYR 94 HD1 TYR 94 17.569 -5.564 2.067 755 HD2 TYR 94 HD2 TYR 94 20.648 -7.381 -0.307 756 HE1 TYR 94 HE1 TYR 94 16.676 -7.805 2.607 757 HE2 TYR 94 HE2 TYR 94 19.732 -9.628 0.238 758 HH TYR 94 HH TYR 94 17.650 -10.634 0.959 759 H GLU 95 H GLU 95 22.370 -5.129 1.415 760 HA GLU 95 HA GLU 95 23.267 -7.171 2.637 761 1HB GLU 95 2HB GLU 95 23.464 -4.785 4.502 762 2HB GLU 95 1HB GLU 95 24.639 -6.082 4.307 763 1HG GLU 95 2HG GLU 95 23.928 -4.137 2.094 764 2HG GLU 95 1HG GLU 95 25.292 -3.909 3.188 765 H ASP 96 H ASP 96 20.558 -7.013 2.598 766 HA ASP 96 HA ASP 96 18.563 -6.952 3.899 767 1HB ASP 96 2HB ASP 96 19.491 -9.286 5.349 768 2HB ASP 96 1HB ASP 96 18.291 -9.179 4.076 769 H PHE 97 H PHE 97 20.377 -5.073 5.037 770 HA PHE 97 HA PHE 97 21.393 -4.465 7.142 771 1HB PHE 97 2HB PHE 97 19.181 -4.796 8.798 772 2HB PHE 97 1HB PHE 97 19.506 -3.368 7.828 773 HD1 PHE 97 HD1 PHE 97 18.707 -3.599 5.258 774 HD2 PHE 97 HD2 PHE 97 17.124 -5.822 8.576 775 HE1 PHE 97 HE1 PHE 97 16.623 -4.026 3.981 776 HE2 PHE 97 HE2 PHE 97 15.043 -6.247 7.297 777 HZ PHE 97 HZ PHE 97 14.794 -5.349 5.001 778 H ALA 98 H ALA 98 21.353 -7.042 6.088 779 HA ALA 98 HA ALA 98 20.818 -9.113 8.025 780 1HB ALA 98 1HB ALA 98 22.764 -9.534 5.883 781 2HB ALA 98 2HB ALA 98 21.322 -8.688 5.351 782 3HB ALA 98 3HB ALA 98 21.174 -10.263 6.108 783 H LYS 99 H LYS 99 23.541 -7.088 7.169 784 HA LYS 99 HA LYS 99 25.406 -8.613 8.924 785 1HB LYS 99 2HB LYS 99 25.625 -6.412 6.867 786 2HB LYS 99 1HB LYS 99 26.990 -6.829 7.905 787 1HG LYS 99 2HG LYS 99 26.324 -9.302 7.107 788 2HG LYS 99 1HG LYS 99 25.727 -8.402 5.712 789 1HD LYS 99 2HD LYS 99 28.480 -7.869 6.811 790 2HD LYS 99 1HD LYS 99 28.203 -9.201 5.688 791 1HE LYS 99 2HE LYS 99 27.336 -7.677 4.000 792 2HE LYS 99 1HE LYS 99 27.419 -6.317 5.137 793 1HZ LYS 99 1HZ LYS 99 29.815 -6.790 5.388 794 2HZ LYS 99 2HZ LYS 99 29.401 -6.323 3.808 795 3HZ LYS 99 3HZ LYS 99 29.697 -7.958 4.164 796 1H MET 1 1H MET 1 -4.299 7.949 -12.666 797 2H MET 1 2H MET 1 -5.891 7.895 -12.074 798 3H MET 1 3H MET 1 -4.777 6.690 -11.635 799 HA MET 1 HA MET 1 -4.509 9.561 -10.901 800 1HB MET 1 2HB MET 1 -6.208 7.464 -9.951 801 2HB MET 1 1HB MET 1 -4.980 7.766 -8.727 802 1HG MET 1 2HG MET 1 -5.540 10.099 -8.622 803 2HG MET 1 1HG MET 1 -6.615 9.960 -10.012 804 1HE MET 1 1HE MET 1 -7.569 10.884 -6.536 805 2HE MET 1 2HE MET 1 -5.968 10.167 -6.702 806 3HE MET 1 3HE MET 1 -7.182 9.372 -5.703 807 H ASN 2 H ASN 2 -2.582 9.958 -9.726 808 HA ASN 2 HA ASN 2 -1.051 7.899 -8.492 809 1HB ASN 2 2HB ASN 2 0.760 7.674 -10.165 810 2HB ASN 2 1HB ASN 2 -0.787 7.216 -10.869 811 1HD2 ASN 2 1HD2 ASN 2 1.423 8.133 -12.481 812 2HD2 ASN 2 2HD2 ASN 2 0.981 9.616 -13.179 813 H LYS 3 H LYS 3 1.519 9.341 -9.607 814 HA LYS 3 HA LYS 3 1.895 11.103 -7.409 815 1HB LYS 3 2HB LYS 3 3.237 10.457 -10.000 816 2HB LYS 3 1HB LYS 3 3.748 11.934 -9.187 817 1HG LYS 3 2HG LYS 3 3.632 10.036 -7.133 818 2HG LYS 3 1HG LYS 3 4.318 9.153 -8.493 819 1HD LYS 3 2HD LYS 3 5.911 11.140 -8.797 820 2HD LYS 3 1HD LYS 3 5.366 11.693 -7.219 821 1HE LYS 3 2HE LYS 3 7.192 10.413 -6.532 822 2HE LYS 3 1HE LYS 3 5.979 9.119 -6.581 823 1HZ LYS 3 1HZ LYS 3 6.642 8.463 -8.698 824 2HZ LYS 3 2HZ LYS 3 8.119 8.801 -7.929 825 3HZ LYS 3 3HZ LYS 3 7.451 9.919 -9.018 826 H THR 4 H THR 4 -0.367 11.659 -9.718 827 HA THR 4 HA THR 4 0.080 14.623 -9.685 828 HB THR 4 HB THR 4 -1.001 12.812 -11.864 829 HG1 THR 4 HG1 THR 4 1.257 14.522 -11.754 830 1HG2 THR 4 1HG2 THR 4 -0.776 15.190 -13.078 831 2HG2 THR 4 2HG2 THR 4 -1.135 15.760 -11.448 832 3HG2 THR 4 3HG2 THR 4 -2.265 14.689 -12.276 833 H GLU 5 H GLU 5 -2.536 12.390 -10.614 834 HA GLU 5 HA GLU 5 -4.695 14.027 -9.881 835 1HB GLU 5 2HB GLU 5 -4.295 11.038 -9.965 836 2HB GLU 5 1HB GLU 5 -5.874 11.766 -9.671 837 1HG GLU 5 2HG GLU 5 -6.046 11.714 -11.945 838 2HG GLU 5 1HG GLU 5 -5.082 13.188 -11.850 839 H LEU 6 H LEU 6 -2.906 11.649 -7.885 840 HA LEU 6 HA LEU 6 -4.513 11.882 -5.543 841 1HB LEU 6 2HB LEU 6 -1.641 11.227 -6.136 842 2HB LEU 6 1HB LEU 6 -2.166 11.364 -4.459 843 HG LEU 6 HG LEU 6 -3.460 9.573 -6.542 844 1HD1 LEU 6 1HD1 LEU 6 -1.757 8.163 -6.085 845 2HD1 LEU 6 2HD1 LEU 6 -2.395 8.042 -4.446 846 3HD1 LEU 6 3HD1 LEU 6 -1.139 9.221 -4.817 847 1HD2 LEU 6 1HD2 LEU 6 -4.404 10.583 -4.044 848 2HD2 LEU 6 2HD2 LEU 6 -4.018 8.880 -3.802 849 3HD2 LEU 6 3HD2 LEU 6 -5.153 9.355 -5.065 850 H ILE 7 H ILE 7 -1.964 14.032 -6.816 851 HA ILE 7 HA ILE 7 -1.696 15.649 -4.449 852 HB ILE 7 HB ILE 7 -0.450 17.083 -5.793 853 1HG1 ILE 7 2HG1 ILE 7 -0.991 17.024 -8.428 854 2HG1 ILE 7 1HG1 ILE 7 -2.595 16.669 -7.811 855 1HG2 ILE 7 1HG2 ILE 7 -0.478 14.834 -7.758 856 2HG2 ILE 7 2HG2 ILE 7 0.131 14.593 -6.125 857 3HG2 ILE 7 3HG2 ILE 7 0.875 15.797 -7.181 858 1HD1 ILE 7 1HD1 ILE 7 -0.892 19.097 -7.318 859 2HD1 ILE 7 2HD1 ILE 7 -2.193 18.666 -6.206 860 3HD1 ILE 7 3HD1 ILE 7 -2.557 19.020 -7.895 861 H LYS 8 H LYS 8 -3.854 15.723 -7.236 862 HA LYS 8 HA LYS 8 -5.345 18.038 -6.350 863 1HB LYS 8 2HB LYS 8 -6.212 17.767 -8.438 864 2HB LYS 8 1HB LYS 8 -5.145 16.378 -8.616 865 1HG LYS 8 2HG LYS 8 -6.953 14.976 -7.518 866 2HG LYS 8 1HG LYS 8 -8.016 16.377 -7.648 867 1HD LYS 8 2HD LYS 8 -8.517 15.686 -9.735 868 2HD LYS 8 1HD LYS 8 -6.871 16.119 -10.195 869 1HE LYS 8 2HE LYS 8 -6.526 13.924 -10.656 870 2HE LYS 8 1HE LYS 8 -6.651 13.608 -8.914 871 1HZ LYS 8 1HZ LYS 8 -8.330 12.351 -10.095 872 2HZ LYS 8 2HZ LYS 8 -8.915 13.763 -10.835 873 3HZ LYS 8 3HZ LYS 8 -9.074 13.552 -9.157 874 H ALA 9 H ALA 9 -5.455 14.579 -5.749 875 HA ALA 9 HA ALA 9 -8.066 14.346 -4.629 876 1HB ALA 9 1HB ALA 9 -6.279 12.584 -5.220 877 2HB ALA 9 2HB ALA 9 -7.207 12.303 -3.747 878 3HB ALA 9 3HB ALA 9 -5.569 12.948 -3.648 879 H ILE 10 H ILE 10 -4.952 15.379 -3.180 880 HA ILE 10 HA ILE 10 -6.323 15.897 -0.613 881 HB ILE 10 HB ILE 10 -3.607 15.379 -1.642 882 1HG1 ILE 10 2HG1 ILE 10 -3.273 14.610 0.697 883 2HG1 ILE 10 1HG1 ILE 10 -4.863 15.253 1.112 884 1HG2 ILE 10 1HG2 ILE 10 -3.945 17.542 0.461 885 2HG2 ILE 10 2HG2 ILE 10 -3.282 17.772 -1.156 886 3HG2 ILE 10 3HG2 ILE 10 -2.419 16.778 0.016 887 1HD1 ILE 10 1HD1 ILE 10 -5.976 13.704 -0.322 888 2HD1 ILE 10 2HD1 ILE 10 -4.769 12.755 0.546 889 3HD1 ILE 10 3HD1 ILE 10 -4.469 13.251 -1.120 890 H ALA 11 H ALA 11 -4.995 17.463 -3.469 891 HA ALA 11 HA ALA 11 -4.957 20.140 -2.430 892 1HB ALA 11 1HB ALA 11 -5.555 19.104 -5.225 893 2HB ALA 11 2HB ALA 11 -3.932 19.253 -4.559 894 3HB ALA 11 3HB ALA 11 -4.910 20.693 -4.828 895 H GLN 12 H GLN 12 -7.503 17.936 -3.141 896 HA GLN 12 HA GLN 12 -9.503 20.147 -3.095 897 1HB GLN 12 2HB GLN 12 -9.867 19.047 -5.119 898 2HB GLN 12 1HB GLN 12 -9.267 17.512 -4.501 899 1HG GLN 12 2HG GLN 12 -11.696 17.414 -4.902 900 2HG GLN 12 1HG GLN 12 -11.332 17.222 -3.187 901 1HE2 GLN 12 1HE2 GLN 12 -12.787 18.401 -1.941 902 2HE2 GLN 12 2HE2 GLN 12 -13.424 19.919 -2.354 903 H ASP 13 H ASP 13 -8.835 16.817 -1.903 904 HA ASP 13 HA ASP 13 -11.037 16.736 -0.029 905 1HB ASP 13 2HB ASP 13 -8.294 15.437 -0.171 906 2HB ASP 13 1HB ASP 13 -9.452 15.049 1.101 907 H THR 14 H THR 14 -7.901 18.149 -0.142 908 HA THR 14 HA THR 14 -8.081 19.196 2.641 909 HB THR 14 HB THR 14 -5.591 19.612 1.161 910 HG1 THR 14 HG1 THR 14 -6.546 16.950 1.378 911 1HG2 THR 14 1HG2 THR 14 -4.817 19.174 3.210 912 2HG2 THR 14 2HG2 THR 14 -5.445 17.530 3.108 913 3HG2 THR 14 3HG2 THR 14 -6.465 18.823 3.735 914 H GLY 15 H GLY 15 -6.366 20.511 -0.185 915 1HA GLY 15 2HA GLY 15 -6.751 22.460 -1.463 916 2HA GLY 15 1HA GLY 15 -8.352 22.565 -0.738 917 H LEU 16 H LEU 16 -6.150 22.248 1.693 918 HA LEU 16 HA LEU 16 -6.545 24.719 2.945 919 1HB LEU 16 2HB LEU 16 -4.220 22.785 2.915 920 2HB LEU 16 1HB LEU 16 -4.342 24.115 4.068 921 HG LEU 16 HG LEU 16 -6.777 23.096 4.372 922 1HD1 LEU 16 1HD1 LEU 16 -6.982 21.210 3.173 923 2HD1 LEU 16 2HD1 LEU 16 -6.024 20.485 4.449 924 3HD1 LEU 16 3HD1 LEU 16 -5.243 21.034 2.971 925 1HD2 LEU 16 1HD2 LEU 16 -4.280 22.981 5.760 926 2HD2 LEU 16 2HD2 LEU 16 -5.023 21.391 5.900 927 3HD2 LEU 16 3HD2 LEU 16 -5.894 22.819 6.452 928 H THR 17 H THR 17 -3.435 23.869 1.511 929 HA THR 17 HA THR 17 -3.228 26.590 0.320 930 HB THR 17 HB THR 17 -2.103 25.865 2.689 931 HG1 THR 17 HG1 THR 17 -0.982 27.513 0.672 932 1HG2 THR 17 1HG2 THR 17 -0.757 24.084 1.721 933 2HG2 THR 17 2HG2 THR 17 0.295 25.390 2.253 934 3HG2 THR 17 3HG2 THR 17 -0.064 25.200 0.546 935 H GLN 18 H GLN 18 -3.336 23.393 -0.300 936 HA GLN 18 HA GLN 18 -2.450 22.019 -1.993 937 1HB GLN 18 2HB GLN 18 -1.354 24.593 -3.165 938 2HB GLN 18 1HB GLN 18 -1.883 23.153 -4.033 939 1HG GLN 18 2HG GLN 18 -4.207 23.622 -3.012 940 2HG GLN 18 1HG GLN 18 -3.574 25.227 -2.643 941 1HE2 GLN 18 1HE2 GLN 18 -4.549 26.549 -4.220 942 2HE2 GLN 18 2HE2 GLN 18 -4.469 26.259 -5.891 943 H VAL 19 H VAL 19 -1.046 22.961 0.428 944 HA VAL 19 HA VAL 19 1.375 23.599 0.885 945 HB VAL 19 HB VAL 19 0.439 22.001 2.357 946 1HG1 VAL 19 1HG1 VAL 19 0.488 19.469 1.301 947 2HG1 VAL 19 2HG1 VAL 19 0.006 20.439 -0.091 948 3HG1 VAL 19 3HG1 VAL 19 -0.939 20.497 1.395 949 1HG2 VAL 19 1HG2 VAL 19 2.814 20.601 1.095 950 2HG2 VAL 19 2HG2 VAL 19 2.120 20.192 2.653 951 3HG2 VAL 19 3HG2 VAL 19 2.866 21.765 2.412 952 H SER 20 H SER 20 1.836 20.417 -0.375 953 HA SER 20 HA SER 20 3.431 21.430 -2.628 954 1HB SER 20 2HB SER 20 4.244 20.016 -0.206 955 2HB SER 20 1HB SER 20 4.755 19.201 -1.663 956 HG SER 20 HG SER 20 5.421 21.484 -2.283 957 H VAL 21 H VAL 21 0.696 20.138 -2.143 958 HA VAL 21 HA VAL 21 0.044 17.660 -2.503 959 HB VAL 21 HB VAL 21 -1.287 18.252 -4.507 960 1HG1 VAL 21 1HG1 VAL 21 -1.627 20.790 -3.238 961 2HG1 VAL 21 2HG1 VAL 21 -1.232 19.599 -1.999 962 3HG1 VAL 21 3HG1 VAL 21 -2.615 19.341 -3.062 963 1HG2 VAL 21 1HG2 VAL 21 -0.966 20.599 -5.410 964 2HG2 VAL 21 2HG2 VAL 21 0.325 19.470 -5.820 965 3HG2 VAL 21 3HG2 VAL 21 0.561 20.649 -4.530 966 H SER 22 H SER 22 2.077 19.322 -4.759 967 HA SER 22 HA SER 22 2.690 16.937 -6.387 968 1HB SER 22 2HB SER 22 2.585 19.214 -7.321 969 2HB SER 22 1HB SER 22 3.878 19.728 -6.240 970 HG SER 22 HG SER 22 5.298 18.723 -7.455 971 H LYS 23 H LYS 23 4.368 18.924 -3.936 972 HA LYS 23 HA LYS 23 6.741 17.220 -3.992 973 1HB LYS 23 2HB LYS 23 5.963 19.841 -3.170 974 2HB LYS 23 1HB LYS 23 6.670 19.017 -1.781 975 1HG LYS 23 2HG LYS 23 8.628 18.404 -3.176 976 2HG LYS 23 1HG LYS 23 7.928 19.309 -4.518 977 1HD LYS 23 2HD LYS 23 9.644 20.603 -3.186 978 2HD LYS 23 1HD LYS 23 8.067 21.384 -3.292 979 1HE LYS 23 2HE LYS 23 7.689 21.186 -1.044 980 2HE LYS 23 1HE LYS 23 8.382 19.553 -0.980 981 1HZ LYS 23 1HZ LYS 23 10.591 20.581 -1.324 982 2HZ LYS 23 2HZ LYS 23 9.865 21.049 0.140 983 3HZ LYS 23 3HZ LYS 23 9.878 22.113 -1.184 984 H MET 24 H MET 24 3.901 17.643 -1.790 985 HA MET 24 HA MET 24 5.107 15.966 0.249 986 1HB MET 24 2HB MET 24 2.365 15.675 0.590 987 2HB MET 24 1HB MET 24 3.366 16.896 1.356 988 1HG MET 24 2HG MET 24 2.478 18.571 0.101 989 2HG MET 24 1HG MET 24 2.474 17.590 -1.364 990 1HE MET 24 1HE MET 24 1.242 16.046 -2.010 991 2HE MET 24 2HE MET 24 -0.484 15.814 -1.738 992 3HE MET 24 3HE MET 24 0.683 14.971 -0.721 993 H LEU 25 H LEU 25 3.232 15.367 -2.708 994 HA LEU 25 HA LEU 25 2.781 12.552 -2.083 995 1HB LEU 25 2HB LEU 25 1.676 12.614 -4.078 996 2HB LEU 25 1HB LEU 25 1.839 14.354 -3.882 997 HG LEU 25 HG LEU 25 4.156 13.974 -5.071 998 1HD1 LEU 25 1HD1 LEU 25 3.512 12.111 -6.881 999 2HD1 LEU 25 2HD1 LEU 25 2.646 11.446 -5.498 1000 3HD1 LEU 25 3HD1 LEU 25 4.389 11.704 -5.407 1001 1HD2 LEU 25 1HD2 LEU 25 3.164 14.521 -7.147 1002 2HD2 LEU 25 2HD2 LEU 25 2.119 15.204 -5.902 1003 3HD2 LEU 25 3HD2 LEU 25 1.664 13.705 -6.710 1004 H ALA 26 H ALA 26 5.178 14.429 -3.933 1005 HA ALA 26 HA ALA 26 6.767 12.214 -4.838 1006 1HB ALA 26 1HB ALA 26 6.928 14.455 -5.801 1007 2HB ALA 26 2HB ALA 26 8.487 14.054 -5.082 1008 3HB ALA 26 3HB ALA 26 7.378 15.132 -4.236 1009 H SER 27 H SER 27 6.435 13.976 -1.869 1010 HA SER 27 HA SER 27 8.876 12.871 -0.644 1011 1HB SER 27 2HB SER 27 8.351 14.968 0.227 1012 2HB SER 27 1HB SER 27 6.618 14.714 0.050 1013 HG SER 27 HG SER 27 8.263 13.333 1.909 1014 H PHE 28 H PHE 28 5.391 12.367 -0.692 1015 HA PHE 28 HA PHE 28 5.192 10.411 1.397 1016 1HB PHE 28 2HB PHE 28 3.160 11.309 0.794 1017 2HB PHE 28 1HB PHE 28 3.615 11.453 -0.897 1018 HD1 PHE 28 HD1 PHE 28 2.395 9.101 1.706 1019 HD2 PHE 28 HD2 PHE 28 3.162 9.684 -2.480 1020 HE1 PHE 28 HE1 PHE 28 1.059 7.096 1.176 1021 HE2 PHE 28 HE2 PHE 28 1.831 7.674 -3.003 1022 HZ PHE 28 HZ PHE 28 0.775 6.375 -1.171 1023 H GLU 29 H GLU 29 5.503 10.008 -2.173 1024 HA GLU 29 HA GLU 29 5.708 7.122 -1.959 1025 1HB GLU 29 2HB GLU 29 6.039 9.265 -4.030 1026 2HB GLU 29 1HB GLU 29 6.664 7.647 -4.381 1027 1HG GLU 29 2HG GLU 29 4.587 6.667 -4.255 1028 2HG GLU 29 1HG GLU 29 3.965 7.891 -3.169 1029 H LYS 30 H LYS 30 7.815 9.868 -1.906 1030 HA LYS 30 HA LYS 30 10.300 8.368 -2.101 1031 1HB LYS 30 2HB LYS 30 10.225 10.723 -2.690 1032 2HB LYS 30 1HB LYS 30 9.566 11.143 -1.108 1033 1HG LYS 30 2HG LYS 30 11.625 10.487 -0.012 1034 2HG LYS 30 1HG LYS 30 12.278 9.856 -1.524 1035 1HD LYS 30 2HD LYS 30 12.804 11.931 -2.320 1036 2HD LYS 30 1HD LYS 30 11.378 12.679 -1.601 1037 1HE LYS 30 2HE LYS 30 12.758 12.025 0.655 1038 2HE LYS 30 1HE LYS 30 14.096 12.349 -0.465 1039 1HZ LYS 30 1HZ LYS 30 12.898 14.397 -1.135 1040 2HZ LYS 30 2HZ LYS 30 13.410 14.419 0.485 1041 3HZ LYS 30 3HZ LYS 30 11.780 14.119 0.110 1042 H ILE 31 H ILE 31 8.008 9.187 0.460 1043 HA ILE 31 HA ILE 31 9.966 8.219 2.487 1044 HB ILE 31 HB ILE 31 8.244 9.050 4.063 1045 1HG1 ILE 31 2HG1 ILE 31 6.715 10.766 2.570 1046 2HG1 ILE 31 1HG1 ILE 31 6.728 9.282 1.627 1047 1HG2 ILE 31 1HG2 ILE 31 9.945 10.586 3.727 1048 2HG2 ILE 31 2HG2 ILE 31 8.538 11.525 3.229 1049 3HG2 ILE 31 3HG2 ILE 31 9.565 10.763 2.015 1050 1HD1 ILE 31 1HD1 ILE 31 5.711 9.734 4.399 1051 2HD1 ILE 31 2HD1 ILE 31 6.301 8.134 3.948 1052 3HD1 ILE 31 3HD1 ILE 31 4.957 8.860 3.066 1053 H ILE 32 H ILE 32 6.953 7.445 0.937 1054 HA ILE 32 HA ILE 32 6.179 5.278 2.665 1055 HB ILE 32 HB ILE 32 5.722 5.854 -0.295 1056 1HG1 ILE 32 2HG1 ILE 32 4.768 7.225 1.873 1057 2HG1 ILE 32 1HG1 ILE 32 3.900 7.082 0.347 1058 1HG2 ILE 32 1HG2 ILE 32 5.357 3.524 -0.088 1059 2HG2 ILE 32 2HG2 ILE 32 3.749 4.231 0.072 1060 3HG2 ILE 32 3HG2 ILE 32 4.619 3.688 1.506 1061 1HD1 ILE 32 1HD1 ILE 32 2.553 6.520 2.433 1062 2HD1 ILE 32 2HD1 ILE 32 3.576 5.093 2.601 1063 3HD1 ILE 32 3HD1 ILE 32 2.557 5.283 1.175 1064 H THR 33 H THR 33 7.525 5.208 -0.597 1065 HA THR 33 HA THR 33 8.455 2.542 -0.448 1066 HB THR 33 HB THR 33 8.281 4.655 -2.307 1067 HG1 THR 33 HG1 THR 33 8.906 2.920 -3.746 1068 1HG2 THR 33 1HG2 THR 33 10.608 5.251 -1.808 1069 2HG2 THR 33 2HG2 THR 33 10.481 4.563 -3.427 1070 3HG2 THR 33 3HG2 THR 33 11.107 3.585 -2.099 1071 H GLU 34 H GLU 34 9.978 5.676 0.269 1072 HA GLU 34 HA GLU 34 12.591 4.537 0.773 1073 1HB GLU 34 2HB GLU 34 11.205 7.144 1.366 1074 2HB GLU 34 1HB GLU 34 12.892 6.868 1.783 1075 1HG GLU 34 2HG GLU 34 11.727 6.577 -1.019 1076 2HG GLU 34 1HG GLU 34 12.685 7.949 -0.465 1077 H THR 35 H THR 35 9.888 5.521 3.029 1078 HA THR 35 HA THR 35 11.385 5.097 5.414 1079 HB THR 35 HB THR 35 8.436 4.623 4.909 1080 HG1 THR 35 HG1 THR 35 9.406 6.769 4.546 1081 1HG2 THR 35 1HG2 THR 35 9.994 5.034 7.482 1082 2HG2 THR 35 2HG2 THR 35 9.289 3.506 6.955 1083 3HG2 THR 35 3HG2 THR 35 8.243 4.867 7.362 1084 H VAL 36 H VAL 36 9.179 2.709 3.832 1085 HA VAL 36 HA VAL 36 9.876 0.527 5.516 1086 HB VAL 36 HB VAL 36 8.945 0.942 2.718 1087 1HG1 VAL 36 1HG1 VAL 36 10.096 -1.715 3.639 1088 2HG1 VAL 36 2HG1 VAL 36 10.761 -0.700 2.363 1089 3HG1 VAL 36 3HG1 VAL 36 9.187 -1.462 2.153 1090 1HG2 VAL 36 1HG2 VAL 36 7.963 -1.246 4.464 1091 2HG2 VAL 36 2HG2 VAL 36 7.058 -0.072 3.512 1092 3HG2 VAL 36 3HG2 VAL 36 7.742 0.395 5.068 1093 H ALA 37 H ALA 37 11.416 1.801 2.612 1094 HA ALA 37 HA ALA 37 13.721 0.004 2.857 1095 1HB ALA 37 1HB ALA 37 12.655 2.078 1.016 1096 2HB ALA 37 2HB ALA 37 13.149 0.424 0.673 1097 3HB ALA 37 3HB ALA 37 14.360 1.679 0.931 1098 H LYS 38 H LYS 38 12.849 2.641 4.598 1099 HA LYS 38 HA LYS 38 15.614 3.808 4.668 1100 1HB LYS 38 2HB LYS 38 13.500 5.262 4.328 1101 2HB LYS 38 1HB LYS 38 13.113 4.876 6.003 1102 1HG LYS 38 2HG LYS 38 14.623 6.359 6.776 1103 2HG LYS 38 1HG LYS 38 15.883 5.719 5.721 1104 1HD LYS 38 2HD LYS 38 13.704 7.636 4.840 1105 2HD LYS 38 1HD LYS 38 15.360 8.106 5.228 1106 1HE LYS 38 2HE LYS 38 15.073 5.881 3.269 1107 2HE LYS 38 1HE LYS 38 14.592 7.495 2.705 1108 1HZ LYS 38 1HZ LYS 38 16.694 8.351 3.635 1109 2HZ LYS 38 2HZ LYS 38 16.944 7.236 2.377 1110 3HZ LYS 38 3HZ LYS 38 17.168 6.762 3.994 1111 H GLY 39 H GLY 39 13.024 2.338 6.529 1112 1HA GLY 39 2HA GLY 39 14.238 0.706 8.160 1113 2HA GLY 39 1HA GLY 39 14.822 2.211 8.859 1114 H ASP 40 H ASP 40 11.534 1.638 7.570 1115 HA ASP 40 HA ASP 40 10.457 1.436 10.318 1116 1HB ASP 40 2HB ASP 40 10.729 3.917 8.850 1117 2HB ASP 40 1HB ASP 40 9.028 3.583 9.176 1118 H LYS 41 H LYS 41 8.371 0.574 10.339 1119 HA LYS 41 HA LYS 41 7.413 -0.693 7.885 1120 1HB LYS 41 2HB LYS 41 6.542 -0.577 10.785 1121 2HB LYS 41 1HB LYS 41 5.629 -1.471 9.569 1122 1HG LYS 41 2HG LYS 41 7.522 -2.886 9.082 1123 2HG LYS 41 1HG LYS 41 8.582 -1.898 10.084 1124 1HD LYS 41 2HD LYS 41 8.089 -3.256 11.812 1125 2HD LYS 41 1HD LYS 41 6.452 -2.602 11.773 1126 1HE LYS 41 2HE LYS 41 6.791 -4.600 9.685 1127 2HE LYS 41 1HE LYS 41 7.182 -5.273 11.280 1128 1HZ LYS 41 1HZ LYS 41 4.830 -5.417 10.993 1129 2HZ LYS 41 2HZ LYS 41 4.724 -3.790 10.514 1130 3HZ LYS 41 3HZ LYS 41 5.129 -4.183 12.117 1131 H VAL 42 H VAL 42 6.746 1.055 6.573 1132 HA VAL 42 HA VAL 42 5.032 3.207 7.448 1133 HB VAL 42 HB VAL 42 6.500 3.244 5.455 1134 1HG1 VAL 42 1HG1 VAL 42 5.628 0.735 4.965 1135 2HG1 VAL 42 2HG1 VAL 42 6.323 1.764 3.713 1136 3HG1 VAL 42 3HG1 VAL 42 4.572 1.627 3.871 1137 1HG2 VAL 42 1HG2 VAL 42 4.159 4.484 5.694 1138 2HG2 VAL 42 2HG2 VAL 42 3.732 3.450 4.330 1139 3HG2 VAL 42 3HG2 VAL 42 5.081 4.577 4.194 1140 H GLN 43 H GLN 43 2.733 3.483 6.971 1141 HA GLN 43 HA GLN 43 1.176 1.221 5.959 1142 1HB GLN 43 2HB GLN 43 0.069 0.739 8.090 1143 2HB GLN 43 1HB GLN 43 1.811 0.545 8.271 1144 1HG GLN 43 2HG GLN 43 1.701 1.978 10.005 1145 2HG GLN 43 1HG GLN 43 1.331 3.245 8.838 1146 1HE2 GLN 43 1HE2 GLN 43 0.186 2.044 11.672 1147 2HE2 GLN 43 2HE2 GLN 43 -1.475 2.330 11.472 1148 H LEU 44 H LEU 44 -1.251 1.682 6.418 1149 HA LEU 44 HA LEU 44 -1.821 4.618 6.404 1150 1HB LEU 44 2HB LEU 44 -3.146 2.589 4.585 1151 2HB LEU 44 1HB LEU 44 -3.156 4.343 4.440 1152 HG LEU 44 HG LEU 44 -0.729 2.559 4.080 1153 1HD1 LEU 44 1HD1 LEU 44 -2.364 2.432 2.213 1154 2HD1 LEU 44 2HD1 LEU 44 -0.889 3.250 1.716 1155 3HD1 LEU 44 3HD1 LEU 44 -2.335 4.179 2.083 1156 1HD2 LEU 44 1HD2 LEU 44 0.513 4.423 4.297 1157 2HD2 LEU 44 2HD2 LEU 44 -0.937 5.312 4.762 1158 3HD2 LEU 44 3HD2 LEU 44 -0.453 5.239 3.068 1159 H THR 45 H THR 45 -3.223 4.953 8.068 1160 HA THR 45 HA THR 45 -4.653 4.319 9.884 1161 HB THR 45 HB THR 45 -6.104 5.508 8.501 1162 HG1 THR 45 HG1 THR 45 -7.815 4.559 9.197 1163 1HG2 THR 45 1HG2 THR 45 -7.107 4.231 6.428 1164 2HG2 THR 45 2HG2 THR 45 -5.639 3.275 6.562 1165 3HG2 THR 45 3HG2 THR 45 -5.533 5.012 6.302 1166 H GLY 46 H GLY 46 -6.445 2.125 7.791 1167 1HA GLY 46 2HA GLY 46 -5.316 -0.175 9.300 1168 2HA GLY 46 1HA GLY 46 -7.055 0.092 9.302 1169 H PHE 47 H PHE 47 -5.525 0.874 6.271 1170 HA PHE 47 HA PHE 47 -6.501 -1.735 5.241 1171 1HB PHE 47 2HB PHE 47 -7.165 -0.643 3.250 1172 2HB PHE 47 1HB PHE 47 -7.679 0.419 4.547 1173 HD1 PHE 47 HD1 PHE 47 -5.659 0.113 1.539 1174 HD2 PHE 47 HD2 PHE 47 -6.283 2.476 5.065 1175 HE1 PHE 47 HE1 PHE 47 -4.478 1.997 0.492 1176 HE2 PHE 47 HE2 PHE 47 -5.095 4.358 4.015 1177 HZ PHE 47 HZ PHE 47 -4.192 4.129 1.729 1178 H LEU 48 H LEU 48 -3.764 0.555 5.177 1179 HA LEU 48 HA LEU 48 -2.259 -1.612 3.779 1180 1HB LEU 48 2HB LEU 48 -2.767 1.168 3.246 1181 2HB LEU 48 1HB LEU 48 -1.039 0.820 3.266 1182 HG LEU 48 HG LEU 48 -2.186 0.515 1.067 1183 1HD1 LEU 48 1HD1 LEU 48 -1.171 -1.951 0.887 1184 2HD1 LEU 48 2HD1 LEU 48 -0.603 -1.583 2.515 1185 3HD1 LEU 48 3HD1 LEU 48 -0.108 -0.570 1.158 1186 1HD2 LEU 48 1HD2 LEU 48 -3.756 -1.163 0.706 1187 2HD2 LEU 48 2HD2 LEU 48 -4.150 -0.734 2.365 1188 3HD2 LEU 48 3HD2 LEU 48 -3.148 -2.141 2.041 1189 H ASN 49 H ASN 49 -0.553 -2.389 4.788 1190 HA ASN 49 HA ASN 49 1.146 -0.603 6.473 1191 1HB ASN 49 2HB ASN 49 -0.644 -1.970 7.801 1192 2HB ASN 49 1HB ASN 49 0.412 -3.344 7.474 1193 1HD2 ASN 49 1HD2 ASN 49 2.857 -2.832 8.020 1194 2HD2 ASN 49 2HD2 ASN 49 3.125 -1.978 9.463 1195 H ILE 50 H ILE 50 2.716 -0.778 4.800 1196 HA ILE 50 HA ILE 50 3.606 -3.403 3.826 1197 HB ILE 50 HB ILE 50 4.887 -0.679 3.478 1198 1HG1 ILE 50 2HG1 ILE 50 2.492 -0.470 2.946 1199 2HG1 ILE 50 1HG1 ILE 50 3.450 -0.420 1.469 1200 1HG2 ILE 50 1HG2 ILE 50 4.710 -2.851 1.411 1201 2HG2 ILE 50 2HG2 ILE 50 5.916 -2.963 2.693 1202 3HG2 ILE 50 3HG2 ILE 50 5.921 -1.583 1.596 1203 1HD1 ILE 50 1HD1 ILE 50 1.425 -1.894 1.302 1204 2HD1 ILE 50 2HD1 ILE 50 2.134 -2.928 2.541 1205 3HD1 ILE 50 3HD1 ILE 50 2.940 -2.735 0.984 1206 H LYS 51 H LYS 51 5.650 -4.379 4.302 1207 HA LYS 51 HA LYS 51 7.417 -3.009 6.268 1208 1HB LYS 51 2HB LYS 51 7.318 -5.131 7.693 1209 2HB LYS 51 1HB LYS 51 5.856 -4.148 7.707 1210 1HG LYS 51 2HG LYS 51 4.702 -5.635 6.274 1211 2HG LYS 51 1HG LYS 51 6.189 -6.425 5.755 1212 1HD LYS 51 2HD LYS 51 5.558 -6.496 8.666 1213 2HD LYS 51 1HD LYS 51 4.584 -7.514 7.604 1214 1HE LYS 51 2HE LYS 51 6.294 -8.979 7.314 1215 2HE LYS 51 1HE LYS 51 7.439 -7.670 6.960 1216 1HZ LYS 51 1HZ LYS 51 7.941 -8.835 9.063 1217 2HZ LYS 51 2HZ LYS 51 6.436 -8.341 9.675 1218 3HZ LYS 51 3HZ LYS 51 7.620 -7.185 9.288 1219 HA PRO 52 HA PRO 52 10.120 -5.240 3.500 1220 1HB PRO 52 2HB PRO 52 12.475 -4.246 4.436 1221 2HB PRO 52 1HB PRO 52 11.374 -3.305 3.412 1222 1HG PRO 52 2HG PRO 52 11.874 -3.114 6.313 1223 2HG PRO 52 1HG PRO 52 11.377 -1.871 5.163 1224 1HD PRO 52 2HD PRO 52 9.715 -3.202 6.981 1225 2HD PRO 52 1HD PRO 52 9.191 -2.201 5.611 1226 H VAL 53 H VAL 53 11.555 -7.043 3.627 1227 HA VAL 53 HA VAL 53 12.313 -7.946 6.335 1228 HB VAL 53 HB VAL 53 11.426 -10.178 5.905 1229 1HG1 VAL 53 1HG1 VAL 53 9.361 -8.036 5.314 1230 2HG1 VAL 53 2HG1 VAL 53 9.971 -8.424 6.922 1231 3HG1 VAL 53 3HG1 VAL 53 9.050 -9.624 6.015 1232 1HG2 VAL 53 1HG2 VAL 53 11.562 -9.444 3.238 1233 2HG2 VAL 53 2HG2 VAL 53 9.833 -9.421 3.560 1234 3HG2 VAL 53 3HG2 VAL 53 10.766 -10.887 3.856 1235 H ALA 54 H ALA 54 14.407 -8.244 6.335 1236 HA ALA 54 HA ALA 54 15.956 -8.604 3.894 1237 1HB ALA 54 1HB ALA 54 17.216 -7.404 5.376 1238 2HB ALA 54 2HB ALA 54 17.649 -8.979 6.043 1239 3HB ALA 54 3HB ALA 54 16.341 -8.049 6.764 1240 H ARG 55 H ARG 55 16.112 -10.614 2.930 1241 HA ARG 55 HA ARG 55 17.335 -12.874 4.019 1242 1HB ARG 55 2HB ARG 55 15.282 -14.306 4.549 1243 2HB ARG 55 1HB ARG 55 15.635 -13.043 5.722 1244 1HG ARG 55 2HG ARG 55 13.977 -11.879 3.718 1245 2HG ARG 55 1HG ARG 55 13.251 -13.423 4.160 1246 1HD ARG 55 2HD ARG 55 14.006 -12.357 6.621 1247 2HD ARG 55 1HD ARG 55 13.405 -10.951 5.719 1248 HE ARG 55 HE ARG 55 11.310 -12.198 5.314 1249 1HH1 ARG 55 2HH1 ARG 55 12.727 -14.894 5.944 1250 2HH1 ARG 55 1HH1 ARG 55 11.938 -15.311 7.428 1251 1HH2 ARG 55 1HH2 ARG 55 10.638 -12.137 7.935 1252 2HH2 ARG 55 2HH2 ARG 55 10.756 -13.749 8.556 1253 H GLN 56 H GLN 56 17.793 -12.483 1.618 1254 HA GLN 56 HA GLN 56 16.104 -14.314 0.041 1255 1HB GLN 56 2HB GLN 56 16.277 -11.345 -0.306 1256 2HB GLN 56 1HB GLN 56 15.995 -12.366 -1.716 1257 1HG GLN 56 2HG GLN 56 14.132 -13.463 -0.287 1258 2HG GLN 56 1HG GLN 56 14.282 -12.039 0.744 1259 1HE2 GLN 56 1HE2 GLN 56 14.369 -12.456 -2.847 1260 2HE2 GLN 56 2HE2 GLN 56 13.168 -11.295 -3.153 1261 H ALA 57 H ALA 57 19.100 -13.784 0.907 1262 HA ALA 57 HA ALA 57 20.208 -14.033 -1.871 1263 1HB ALA 57 1HB ALA 57 22.093 -13.301 0.233 1264 2HB ALA 57 2HB ALA 57 20.748 -12.168 0.110 1265 3HB ALA 57 3HB ALA 57 21.753 -12.501 -1.299 1266 H ARG 58 H ARG 58 19.359 -16.383 -0.969 1267 HA ARG 58 HA ARG 58 20.898 -17.986 0.759 1268 1HB ARG 58 2HB ARG 58 19.360 -18.353 -1.788 1269 2HB ARG 58 1HB ARG 58 20.270 -19.720 -1.161 1270 1HG ARG 58 2HG ARG 58 19.080 -19.069 1.101 1271 2HG ARG 58 1HG ARG 58 17.920 -18.293 0.020 1272 1HD ARG 58 2HD ARG 58 17.115 -20.292 -0.755 1273 2HD ARG 58 1HD ARG 58 18.720 -21.051 -0.740 1274 HE ARG 58 HE ARG 58 16.858 -20.920 1.540 1275 1HH1 ARG 58 2HH1 ARG 58 19.120 -22.860 0.227 1276 2HH1 ARG 58 1HH1 ARG 58 20.050 -23.127 1.664 1277 1HH2 ARG 58 1HH2 ARG 58 18.459 -20.633 3.475 1278 2HH2 ARG 58 2HH2 ARG 58 19.676 -21.866 3.502 1279 H LYS 59 H LYS 59 22.418 -19.803 -0.181 1280 HA LYS 59 HA LYS 59 23.971 -19.500 -2.523 1281 1HB LYS 59 2HB LYS 59 26.011 -18.416 -1.536 1282 2HB LYS 59 1HB LYS 59 24.629 -17.330 -1.619 1283 1HG LYS 59 2HG LYS 59 24.367 -17.265 0.662 1284 2HG LYS 59 1HG LYS 59 24.899 -18.934 0.873 1285 1HD LYS 59 2HD LYS 59 27.115 -18.356 1.013 1286 2HD LYS 59 1HD LYS 59 26.940 -17.000 -0.101 1287 1HE LYS 59 2HE LYS 59 26.369 -15.524 1.574 1288 2HE LYS 59 1HE LYS 59 25.531 -16.769 2.521 1289 1HZ LYS 59 1HZ LYS 59 28.467 -16.484 2.169 1290 2HZ LYS 59 2HZ LYS 59 27.718 -17.802 2.937 1291 3HZ LYS 59 3HZ LYS 59 27.594 -16.245 3.604 1292 H GLY 60 H GLY 60 23.072 -21.714 -1.370 1293 1HA GLY 60 2HA GLY 60 25.528 -22.995 -0.258 1294 2HA GLY 60 1HA GLY 60 23.959 -23.295 0.493 1295 H PHE 61 H PHE 61 22.352 -24.474 -0.728 1296 HA PHE 61 HA PHE 61 22.811 -25.481 -3.387 1297 1HB PHE 61 2HB PHE 61 24.595 -26.573 -1.740 1298 2HB PHE 61 1HB PHE 61 23.241 -27.633 -1.347 1299 HD1 PHE 61 HD1 PHE 61 21.901 -28.598 -3.455 1300 HD2 PHE 61 HD2 PHE 61 25.926 -27.094 -3.570 1301 HE1 PHE 61 HE1 PHE 61 22.305 -29.811 -5.567 1302 HE2 PHE 61 HE2 PHE 61 26.318 -28.310 -5.677 1303 HZ PHE 61 HZ PHE 61 24.516 -29.648 -6.671 1304 H ASN 62 H ASN 62 21.027 -26.641 -4.119 1305 HA ASN 62 HA ASN 62 18.584 -26.591 -2.570 1306 1HB ASN 62 2HB ASN 62 19.486 -27.032 -5.236 1307 2HB ASN 62 1HB ASN 62 18.626 -28.496 -4.766 1308 1HD2 ASN 62 1HD2 ASN 62 16.905 -27.805 -6.340 1309 2HD2 ASN 62 2HD2 ASN 62 15.777 -26.626 -5.873 1310 HA PRO 63 HA PRO 63 18.906 -30.610 -0.740 1311 1HB PRO 63 2HB PRO 63 16.830 -32.164 -1.618 1312 2HB PRO 63 1HB PRO 63 16.611 -30.805 -0.499 1313 1HG PRO 63 2HG PRO 63 16.048 -30.972 -3.402 1314 2HG PRO 63 1HG PRO 63 15.209 -30.065 -2.137 1315 1HD PRO 63 2HD PRO 63 16.991 -28.988 -3.954 1316 2HD PRO 63 1HD PRO 63 16.537 -28.242 -2.408 1317 H GLN 64 H GLN 64 20.671 -30.439 -2.905 1318 HA GLN 64 HA GLN 64 20.755 -33.202 -3.859 1319 1HB GLN 64 2HB GLN 64 20.545 -30.663 -5.452 1320 2HB GLN 64 1HB GLN 64 21.307 -32.090 -6.151 1321 1HG GLN 64 2HG GLN 64 18.513 -32.023 -4.981 1322 2HG GLN 64 1HG GLN 64 18.886 -31.946 -6.701 1323 1HE2 GLN 64 1HE2 GLN 64 18.669 -34.090 -3.931 1324 2HE2 GLN 64 2HE2 GLN 64 19.018 -35.524 -4.771 1325 H THR 65 H THR 65 22.822 -32.772 -5.588 1326 HA THR 65 HA THR 65 25.046 -31.600 -3.994 1327 HB THR 65 HB THR 65 26.291 -33.770 -4.641 1328 HG1 THR 65 HG1 THR 65 24.906 -34.629 -6.108 1329 1HG2 THR 65 1HG2 THR 65 24.174 -33.386 -2.593 1330 2HG2 THR 65 2HG2 THR 65 25.885 -33.759 -2.388 1331 3HG2 THR 65 3HG2 THR 65 24.750 -35.037 -2.826 1332 H GLN 66 H GLN 66 23.477 -31.832 -6.969 1333 HA GLN 66 HA GLN 66 25.956 -30.952 -8.388 1334 1HB GLN 66 2HB GLN 66 23.706 -32.738 -9.367 1335 2HB GLN 66 1HB GLN 66 25.029 -32.158 -10.377 1336 1HG GLN 66 2HG GLN 66 26.373 -33.801 -9.635 1337 2HG GLN 66 1HG GLN 66 26.113 -33.299 -7.965 1338 1HE2 GLN 66 1HE2 GLN 66 23.299 -33.816 -7.765 1339 2HE2 GLN 66 2HE2 GLN 66 23.052 -35.490 -7.894 1340 H GLU 67 H GLU 67 22.772 -30.150 -7.478 1341 HA GLU 67 HA GLU 67 22.698 -28.001 -9.566 1342 1HB GLU 67 2HB GLU 67 20.209 -28.276 -9.463 1343 2HB GLU 67 1HB GLU 67 21.027 -29.735 -10.024 1344 1HG GLU 67 2HG GLU 67 20.282 -30.931 -8.262 1345 2HG GLU 67 1HG GLU 67 20.806 -29.694 -7.120 1346 H ALA 68 H ALA 68 23.856 -26.781 -7.836 1347 HA ALA 68 HA ALA 68 22.517 -26.222 -5.306 1348 1HB ALA 68 1HB ALA 68 25.057 -26.124 -6.280 1349 2HB ALA 68 2HB ALA 68 24.541 -25.271 -4.824 1350 3HB ALA 68 3HB ALA 68 24.615 -24.419 -6.367 1351 H LEU 69 H LEU 69 22.232 -23.772 -4.747 1352 HA LEU 69 HA LEU 69 20.577 -22.526 -6.907 1353 1HB LEU 69 2HB LEU 69 20.654 -22.213 -3.887 1354 2HB LEU 69 1HB LEU 69 19.545 -21.350 -4.952 1355 HG LEU 69 HG LEU 69 19.737 -24.370 -4.857 1356 1HD1 LEU 69 1HD1 LEU 69 18.565 -24.325 -2.936 1357 2HD1 LEU 69 2HD1 LEU 69 17.288 -23.428 -3.755 1358 3HD1 LEU 69 3HD1 LEU 69 18.588 -22.563 -2.937 1359 1HD2 LEU 69 1HD2 LEU 69 18.768 -23.630 -6.910 1360 2HD2 LEU 69 2HD2 LEU 69 17.839 -22.368 -6.101 1361 3HD2 LEU 69 3HD2 LEU 69 17.404 -24.063 -5.878 1362 H GLU 70 H GLU 70 20.521 -19.951 -6.382 1363 HA GLU 70 HA GLU 70 22.934 -18.695 -5.433 1364 1HB GLU 70 2HB GLU 70 23.864 -18.116 -7.694 1365 2HB GLU 70 1HB GLU 70 23.910 -19.847 -7.365 1366 1HG GLU 70 2HG GLU 70 21.438 -18.839 -8.667 1367 2HG GLU 70 1HG GLU 70 22.899 -18.807 -9.653 1368 H ILE 71 H ILE 71 20.049 -18.292 -5.379 1369 HA ILE 71 HA ILE 71 18.953 -16.312 -7.044 1370 HB ILE 71 HB ILE 71 17.827 -15.666 -4.734 1371 1HG1 ILE 71 2HG1 ILE 71 18.088 -17.223 -2.970 1372 2HG1 ILE 71 1HG1 ILE 71 19.003 -18.337 -3.977 1373 1HG2 ILE 71 1HG2 ILE 71 16.712 -16.969 -6.451 1374 2HG2 ILE 71 2HG2 ILE 71 16.454 -17.742 -4.887 1375 3HG2 ILE 71 3HG2 ILE 71 17.643 -18.401 -6.010 1376 1HD1 ILE 71 1HD1 ILE 71 20.744 -16.410 -4.151 1377 2HD1 ILE 71 2HD1 ILE 71 20.650 -17.304 -2.656 1378 3HD1 ILE 71 3HD1 ILE 71 19.896 -15.721 -2.774 1379 H ALA 72 H ALA 72 18.436 -14.082 -5.313 1380 HA ALA 72 HA ALA 72 21.143 -12.877 -4.969 1381 1HB ALA 72 1HB ALA 72 18.867 -11.356 -6.197 1382 2HB ALA 72 2HB ALA 72 19.803 -12.471 -7.194 1383 3HB ALA 72 3HB ALA 72 20.601 -11.112 -6.399 1384 HA PRO 73 HA PRO 73 19.606 -11.301 -1.179 1385 1HB PRO 73 2HB PRO 73 21.187 -9.044 -1.057 1386 2HB PRO 73 1HB PRO 73 21.786 -10.670 -0.690 1387 1HG PRO 73 2HG PRO 73 21.985 -9.115 -3.236 1388 2HG PRO 73 1HG PRO 73 23.233 -10.056 -2.393 1389 1HD PRO 73 2HD PRO 73 21.968 -11.087 -4.501 1390 2HD PRO 73 1HD PRO 73 22.344 -12.105 -3.090 1391 H SER 74 H SER 74 17.666 -10.289 -0.976 1392 HA SER 74 HA SER 74 17.272 -7.558 -1.997 1393 1HB SER 74 2HB SER 74 16.880 -9.121 -3.937 1394 2HB SER 74 1HB SER 74 15.577 -9.862 -3.014 1395 HG SER 74 HG SER 74 14.553 -7.835 -2.965 1396 H VAL 75 H VAL 75 16.291 -6.638 -0.237 1397 HA VAL 75 HA VAL 75 15.064 -7.943 1.934 1398 HB VAL 75 HB VAL 75 15.781 -5.571 1.840 1399 1HG1 VAL 75 1HG1 VAL 75 15.163 -4.346 0.064 1400 2HG1 VAL 75 2HG1 VAL 75 13.514 -4.334 0.689 1401 3HG1 VAL 75 3HG1 VAL 75 14.019 -5.585 -0.445 1402 1HG2 VAL 75 1HG2 VAL 75 14.012 -6.397 3.480 1403 2HG2 VAL 75 2HG2 VAL 75 12.806 -5.705 2.394 1404 3HG2 VAL 75 3HG2 VAL 75 14.000 -4.661 3.166 1405 H GLY 76 H GLY 76 12.713 -8.001 2.520 1406 1HA GLY 76 2HA GLY 76 11.075 -8.450 0.047 1407 2HA GLY 76 1HA GLY 76 10.859 -9.373 1.531 1408 H VAL 77 H VAL 77 10.084 -6.479 -0.144 1409 HA VAL 77 HA VAL 77 9.083 -4.932 2.081 1410 HB VAL 77 HB VAL 77 8.392 -4.965 -0.883 1411 1HG1 VAL 77 1HG1 VAL 77 8.127 -2.665 1.065 1412 2HG1 VAL 77 2HG1 VAL 77 6.788 -3.745 0.687 1413 3HG1 VAL 77 3HG1 VAL 77 7.513 -2.761 -0.583 1414 1HG2 VAL 77 1HG2 VAL 77 10.222 -2.984 0.436 1415 2HG2 VAL 77 2HG2 VAL 77 10.197 -3.537 -1.239 1416 3HG2 VAL 77 3HG2 VAL 77 10.847 -4.580 0.025 1417 H SER 78 H SER 78 8.098 -7.099 2.956 1418 HA SER 78 HA SER 78 5.678 -8.129 1.818 1419 1HB SER 78 2HB SER 78 7.111 -9.257 3.503 1420 2HB SER 78 1HB SER 78 6.675 -8.029 4.686 1421 HG SER 78 HG SER 78 5.380 -10.248 4.083 1422 H VAL 79 H VAL 79 3.685 -7.985 3.471 1423 HA VAL 79 HA VAL 79 3.164 -5.247 4.440 1424 HB VAL 79 HB VAL 79 1.238 -4.986 2.942 1425 1HG1 VAL 79 1HG1 VAL 79 2.380 -4.647 0.868 1426 2HG1 VAL 79 2HG1 VAL 79 3.570 -5.892 1.242 1427 3HG1 VAL 79 3HG1 VAL 79 3.572 -4.373 2.137 1428 1HG2 VAL 79 1HG2 VAL 79 1.122 -6.777 1.033 1429 2HG2 VAL 79 2HG2 VAL 79 0.384 -7.138 2.593 1430 3HG2 VAL 79 3HG2 VAL 79 1.965 -7.807 2.190 1431 H LYS 80 H LYS 80 0.314 -5.732 4.490 1432 HA LYS 80 HA LYS 80 -0.190 -8.272 5.747 1433 1HB LYS 80 2HB LYS 80 0.778 -7.643 7.712 1434 2HB LYS 80 1HB LYS 80 0.640 -5.931 7.341 1435 1HG LYS 80 2HG LYS 80 -1.774 -6.012 7.902 1436 2HG LYS 80 1HG LYS 80 -1.620 -7.727 8.281 1437 1HD LYS 80 2HD LYS 80 0.012 -5.570 9.643 1438 2HD LYS 80 1HD LYS 80 -1.511 -6.187 10.288 1439 1HE LYS 80 2HE LYS 80 -0.546 -8.490 10.296 1440 2HE LYS 80 1HE LYS 80 1.002 -7.810 9.756 1441 1HZ LYS 80 1HZ LYS 80 0.928 -7.950 12.171 1442 2HZ LYS 80 2HZ LYS 80 -0.485 -7.007 12.201 1443 3HZ LYS 80 3HZ LYS 80 0.979 -6.329 11.671 1444 HA PRO 81 HA PRO 81 -4.092 -5.769 5.629 1445 1HB PRO 81 2HB PRO 81 -4.010 -3.083 6.007 1446 2HB PRO 81 1HB PRO 81 -3.931 -4.254 7.338 1447 1HG PRO 81 2HG PRO 81 -1.871 -2.515 6.336 1448 2HG PRO 81 1HG PRO 81 -1.864 -3.523 7.781 1449 1HD PRO 81 2HD PRO 81 -0.676 -4.076 5.145 1450 2HD PRO 81 1HD PRO 81 -0.370 -4.853 6.706 1451 H GLY 82 H GLY 82 -5.438 -4.542 4.334 1452 1HA GLY 82 2HA GLY 82 -4.825 -2.837 2.226 1453 2HA GLY 82 1HA GLY 82 -4.809 -4.482 1.582 1454 H GLU 83 H GLU 83 -6.694 -5.323 3.752 1455 HA GLU 83 HA GLU 83 -9.019 -5.850 3.571 1456 1HB GLU 83 2HB GLU 83 -8.637 -3.933 5.228 1457 2HB GLU 83 1HB GLU 83 -9.094 -2.831 3.923 1458 1HG GLU 83 2HG GLU 83 -11.269 -3.682 3.789 1459 2HG GLU 83 1HG GLU 83 -10.838 -5.172 4.630 1460 H SER 84 H SER 84 -8.022 -5.736 1.068 1461 HA SER 84 HA SER 84 -8.356 -4.705 -1.111 1462 1HB SER 84 2HB SER 84 -11.010 -5.987 -0.570 1463 2HB SER 84 1HB SER 84 -9.982 -6.162 -1.988 1464 HG SER 84 HG SER 84 -9.952 -7.503 0.417 1465 H LEU 85 H LEU 85 -8.769 -2.670 0.737 1466 HA LEU 85 HA LEU 85 -10.500 -1.062 1.362 1467 1HB LEU 85 2HB LEU 85 -10.589 -0.847 -1.667 1468 2HB LEU 85 1HB LEU 85 -10.718 0.457 -0.497 1469 HG LEU 85 HG LEU 85 -8.551 0.746 -1.296 1470 1HD1 LEU 85 1HD1 LEU 85 -7.373 0.621 0.618 1471 2HD1 LEU 85 2HD1 LEU 85 -7.500 -1.134 0.689 1472 3HD1 LEU 85 3HD1 LEU 85 -8.806 -0.129 1.313 1473 1HD2 LEU 85 1HD2 LEU 85 -8.759 -1.593 -2.479 1474 2HD2 LEU 85 2HD2 LEU 85 -7.809 -2.150 -1.101 1475 3HD2 LEU 85 3HD2 LEU 85 -7.170 -0.899 -2.166 1476 H LYS 86 H LYS 86 -11.083 -3.872 0.775 1477 HA LYS 86 HA LYS 86 -13.266 -4.758 -0.599 1478 1HB LYS 86 2HB LYS 86 -11.659 -5.567 1.414 1479 2HB LYS 86 1HB LYS 86 -13.046 -5.106 2.394 1480 1HG LYS 86 2HG LYS 86 -14.439 -6.736 1.394 1481 2HG LYS 86 1HG LYS 86 -13.349 -6.943 0.019 1482 1HD LYS 86 2HD LYS 86 -11.708 -8.049 1.352 1483 2HD LYS 86 1HD LYS 86 -12.499 -7.567 2.853 1484 1HE LYS 86 2HE LYS 86 -14.553 -8.913 1.804 1485 2HE LYS 86 1HE LYS 86 -13.246 -9.752 0.944 1486 1HZ LYS 86 1HZ LYS 86 -12.096 -9.989 3.096 1487 2HZ LYS 86 2HZ LYS 86 -13.584 -10.811 3.061 1488 3HZ LYS 86 3HZ LYS 86 -13.448 -9.327 3.878 1489 H LYS 87 H LYS 87 -12.986 -2.851 2.211 1490 HA LYS 87 HA LYS 87 -15.678 -2.297 2.818 1491 1HB LYS 87 2HB LYS 87 -13.418 -2.038 4.055 1492 2HB LYS 87 1HB LYS 87 -13.185 -0.585 3.084 1493 1HG LYS 87 2HG LYS 87 -15.827 -0.727 4.415 1494 2HG LYS 87 1HG LYS 87 -14.461 -0.629 5.529 1495 1HD LYS 87 2HD LYS 87 -14.482 1.206 3.167 1496 2HD LYS 87 1HD LYS 87 -15.562 1.571 4.514 1497 1HE LYS 87 2HE LYS 87 -12.959 0.848 5.547 1498 2HE LYS 87 1HE LYS 87 -12.797 2.155 4.358 1499 1HZ LYS 87 1HZ LYS 87 -14.867 2.133 6.484 1500 2HZ LYS 87 2HZ LYS 87 -14.452 3.421 5.457 1501 3HZ LYS 87 3HZ LYS 87 -13.369 2.908 6.662 1502 H ALA 88 H ALA 88 -13.220 -0.875 0.725 1503 HA ALA 88 HA ALA 88 -15.105 1.181 -0.274 1504 1HB ALA 88 1HB ALA 88 -13.148 2.250 -0.663 1505 2HB ALA 88 2HB ALA 88 -12.525 0.890 -1.599 1506 3HB ALA 88 3HB ALA 88 -12.351 0.910 0.156 1507 H ALA 89 H ALA 89 -13.885 -1.978 -1.078 1508 HA ALA 89 HA ALA 89 -14.485 -1.799 -3.919 1509 1HB ALA 89 1HB ALA 89 -13.991 -4.169 -3.892 1510 2HB ALA 89 2HB ALA 89 -14.305 -4.274 -2.165 1511 3HB ALA 89 3HB ALA 89 -12.881 -3.416 -2.752 1512 H GLU 90 H GLU 90 -16.171 -2.766 -0.991 1513 HA GLU 90 HA GLU 90 -18.605 -3.645 -2.307 1514 1HB GLU 90 2HB GLU 90 -17.765 -2.688 0.437 1515 2HB GLU 90 1HB GLU 90 -19.476 -2.927 0.081 1516 1HG GLU 90 2HG GLU 90 -18.762 -5.257 -0.795 1517 2HG GLU 90 1HG GLU 90 -17.258 -4.971 0.081 1518 H GLY 91 H GLY 91 -17.134 -0.625 -1.261 1519 1HA GLY 91 2HA GLY 91 -19.365 1.124 -1.540 1520 2HA GLY 91 1HA GLY 91 -17.677 1.606 -1.691 1521 H LEU 92 H LEU 92 -16.937 0.033 -4.022 1522 HA LEU 92 HA LEU 92 -18.297 1.683 -6.069 1523 1HB LEU 92 2HB LEU 92 -16.490 1.032 -7.448 1524 2HB LEU 92 1HB LEU 92 -15.786 1.074 -5.845 1525 HG LEU 92 HG LEU 92 -16.685 -1.506 -5.936 1526 1HD1 LEU 92 1HD1 LEU 92 -17.116 -2.090 -8.073 1527 2HD1 LEU 92 2HD1 LEU 92 -15.406 -1.840 -8.418 1528 3HD1 LEU 92 3HD1 LEU 92 -16.556 -0.528 -8.670 1529 1HD2 LEU 92 1HD2 LEU 92 -14.000 -0.689 -7.065 1530 2HD2 LEU 92 2HD2 LEU 92 -14.384 -2.103 -6.083 1531 3HD2 LEU 92 3HD2 LEU 92 -14.388 -0.498 -5.356 1532 H LYS 93 H LYS 93 -19.630 -0.741 -4.627 1533 HA LYS 93 HA LYS 93 -21.074 -2.508 -5.263 1534 1HB LYS 93 2HB LYS 93 -20.887 -0.872 -7.824 1535 2HB LYS 93 1HB LYS 93 -22.037 -2.185 -7.587 1536 1HG LYS 93 2HG LYS 93 -23.408 -0.574 -6.766 1537 2HG LYS 93 1HG LYS 93 -22.419 -0.689 -5.312 1538 1HD LYS 93 2HD LYS 93 -20.882 1.046 -6.364 1539 2HD LYS 93 1HD LYS 93 -22.129 1.280 -7.590 1540 1HE LYS 93 2HE LYS 93 -23.526 2.379 -6.139 1541 2HE LYS 93 1HE LYS 93 -23.065 1.354 -4.766 1542 1HZ LYS 93 1HZ LYS 93 -21.258 3.347 -6.026 1543 2HZ LYS 93 2HZ LYS 93 -20.980 2.466 -4.599 1544 3HZ LYS 93 3HZ LYS 93 -22.182 3.666 -4.639 1545 H TYR 94 H TYR 94 -18.362 -3.016 -5.211 1546 HA TYR 94 HA TYR 94 -16.869 -3.942 -7.277 1547 1HB TYR 94 2HB TYR 94 -15.798 -4.605 -5.400 1548 2HB TYR 94 1HB TYR 94 -17.306 -4.589 -4.485 1549 HD1 TYR 94 HD1 TYR 94 -18.245 -6.590 -3.758 1550 HD2 TYR 94 HD2 TYR 94 -15.428 -6.603 -6.993 1551 HE1 TYR 94 HE1 TYR 94 -18.345 -9.074 -3.837 1552 HE2 TYR 94 HE2 TYR 94 -15.514 -9.087 -7.073 1553 HH TYR 94 HH TYR 94 -16.586 -10.952 -4.688 1554 H GLU 95 H GLU 95 -19.668 -5.714 -5.931 1555 HA GLU 95 HA GLU 95 -19.520 -8.057 -7.502 1556 1HB GLU 95 2HB GLU 95 -21.967 -8.172 -7.079 1557 2HB GLU 95 1HB GLU 95 -21.072 -7.712 -5.632 1558 1HG GLU 95 2HG GLU 95 -21.523 -5.269 -6.379 1559 2HG GLU 95 1HG GLU 95 -22.751 -5.970 -7.432 1560 H ASP 96 H ASP 96 -20.982 -4.907 -8.272 1561 HA ASP 96 HA ASP 96 -22.067 -5.580 -10.830 1562 1HB ASP 96 2HB ASP 96 -21.887 -3.367 -9.174 1563 2HB ASP 96 1HB ASP 96 -20.865 -2.901 -10.535 1564 H PHE 97 H PHE 97 -18.853 -4.688 -9.712 1565 HA PHE 97 HA PHE 97 -17.609 -4.415 -12.319 1566 1HB PHE 97 2HB PHE 97 -16.969 -4.202 -9.534 1567 2HB PHE 97 1HB PHE 97 -15.798 -5.297 -10.265 1568 HD1 PHE 97 HD1 PHE 97 -17.429 -1.964 -10.778 1569 HD2 PHE 97 HD2 PHE 97 -13.992 -4.442 -11.488 1570 HE1 PHE 97 HE1 PHE 97 -16.235 -0.028 -11.766 1571 HE2 PHE 97 HE2 PHE 97 -12.800 -2.506 -12.476 1572 HZ PHE 97 HZ PHE 97 -13.922 -0.297 -12.617 1573 H ALA 98 H ALA 98 -18.388 -7.077 -10.179 1574 HA ALA 98 HA ALA 98 -16.645 -9.080 -11.278 1575 1HB ALA 98 1HB ALA 98 -18.118 -8.924 -9.104 1576 2HB ALA 98 2HB ALA 98 -17.867 -10.497 -9.857 1577 3HB ALA 98 3HB ALA 98 -19.374 -9.620 -10.128 1578 H LYS 99 H LYS 99 -20.116 -8.444 -11.835 1579 HA LYS 99 HA LYS 99 -20.148 -10.248 -14.169 1580 1HB LYS 99 2HB LYS 99 -22.186 -8.489 -12.769 1581 2HB LYS 99 1HB LYS 99 -22.576 -9.513 -14.152 1582 1HG LYS 99 2HG LYS 99 -22.967 -11.148 -12.637 1583 2HG LYS 99 1HG LYS 99 -21.213 -11.243 -12.468 1584 1HD LYS 99 2HD LYS 99 -21.312 -9.535 -10.668 1585 2HD LYS 99 1HD LYS 99 -23.071 -9.511 -10.809 1586 1HE LYS 99 2HE LYS 99 -21.678 -12.143 -10.367 1587 2HE LYS 99 1HE LYS 99 -21.965 -11.060 -8.990 1588 1HZ LYS 99 1HZ LYS 99 -24.285 -10.905 -9.625 1589 2HZ LYS 99 2HZ LYS 99 -23.863 -12.531 -9.374 1590 3HZ LYS 99 3HZ LYS 99 -24.024 -11.926 -10.953 Start of MODEL 7 1 1H MET 1 1H MET 1 5.720 3.363 12.056 2 2H MET 1 2H MET 1 6.947 3.943 11.035 3 3H MET 1 3H MET 1 5.652 3.053 10.390 4 HA MET 1 HA MET 1 5.390 5.717 11.690 5 1HB MET 1 2HB MET 1 6.009 4.728 8.957 6 2HB MET 1 1HB MET 1 4.825 6.031 9.053 7 1HG MET 1 2HG MET 1 6.347 7.539 9.945 8 2HG MET 1 1HG MET 1 7.347 6.270 10.651 9 1HE MET 1 1HE MET 1 6.020 7.934 7.530 10 2HE MET 1 2HE MET 1 5.894 6.266 6.980 11 3HE MET 1 3HE MET 1 7.039 7.358 6.205 12 H ASN 2 H ASN 2 3.234 6.501 10.106 13 HA ASN 2 HA ASN 2 1.164 4.551 9.763 14 1HB ASN 2 2HB ASN 2 1.764 4.832 12.385 15 2HB ASN 2 1HB ASN 2 0.597 6.141 12.216 16 1HD2 ASN 2 1HD2 ASN 2 0.141 3.653 13.720 17 2HD2 ASN 2 2HD2 ASN 2 -1.160 2.861 12.970 18 H LYS 3 H LYS 3 -1.123 5.808 9.926 19 HA LYS 3 HA LYS 3 -1.114 7.898 8.031 20 1HB LYS 3 2HB LYS 3 -2.973 6.560 9.778 21 2HB LYS 3 1HB LYS 3 -3.315 8.291 9.801 22 1HG LYS 3 2HG LYS 3 -2.856 7.848 7.126 23 2HG LYS 3 1HG LYS 3 -3.636 6.347 7.609 24 1HD LYS 3 2HD LYS 3 -5.464 7.725 8.675 25 2HD LYS 3 1HD LYS 3 -4.717 9.158 7.971 26 1HE LYS 3 2HE LYS 3 -6.077 6.855 6.542 27 2HE LYS 3 1HE LYS 3 -6.331 8.594 6.329 28 1HZ LYS 3 1HZ LYS 3 -4.975 8.006 4.547 29 2HZ LYS 3 2HZ LYS 3 -4.015 6.961 5.476 30 3HZ LYS 3 3HZ LYS 3 -3.880 8.644 5.670 31 H THR 4 H THR 4 -0.302 8.018 11.405 32 HA THR 4 HA THR 4 -0.510 11.001 11.475 33 HB THR 4 HB THR 4 0.038 8.815 13.511 34 HG1 THR 4 HG1 THR 4 -1.970 9.173 14.081 35 1HG2 THR 4 1HG2 THR 4 -0.020 10.711 15.190 36 2HG2 THR 4 2HG2 THR 4 0.139 11.824 13.830 37 3HG2 THR 4 3HG2 THR 4 1.423 10.665 14.176 38 H GLU 5 H GLU 5 1.821 8.358 11.959 39 HA GLU 5 HA GLU 5 4.150 10.001 12.225 40 1HB GLU 5 2HB GLU 5 3.407 7.212 11.974 41 2HB GLU 5 1HB GLU 5 4.835 7.543 10.999 42 1HG GLU 5 2HG GLU 5 4.938 8.820 13.636 43 2HG GLU 5 1HG GLU 5 4.825 7.064 13.729 44 H LEU 6 H LEU 6 2.680 8.366 9.410 45 HA LEU 6 HA LEU 6 4.534 9.411 7.459 46 1HB LEU 6 2HB LEU 6 1.717 8.307 7.409 47 2HB LEU 6 1HB LEU 6 2.505 8.856 5.933 48 HG LEU 6 HG LEU 6 4.166 7.085 7.603 49 1HD1 LEU 6 1HD1 LEU 6 2.219 5.539 6.031 50 2HD1 LEU 6 2HD1 LEU 6 1.518 6.338 7.437 51 3HD1 LEU 6 3HD1 LEU 6 2.868 5.224 7.638 52 1HD2 LEU 6 1HD2 LEU 6 4.591 6.078 5.369 53 2HD2 LEU 6 2HD2 LEU 6 4.820 7.827 5.354 54 3HD2 LEU 6 3HD2 LEU 6 3.350 7.124 4.679 55 H ILE 7 H ILE 7 1.616 10.680 8.983 56 HA ILE 7 HA ILE 7 1.019 12.805 7.189 57 HB ILE 7 HB ILE 7 0.513 12.030 9.984 58 1HG1 ILE 7 2HG1 ILE 7 -1.055 13.556 7.898 59 2HG1 ILE 7 1HG1 ILE 7 -1.144 11.829 8.194 60 1HG2 ILE 7 1HG2 ILE 7 0.876 14.924 9.250 61 2HG2 ILE 7 2HG2 ILE 7 1.371 14.086 10.719 62 3HG2 ILE 7 3HG2 ILE 7 -0.329 14.463 10.450 63 1HD1 ILE 7 1HD1 ILE 7 -3.017 12.786 9.334 64 2HD1 ILE 7 2HD1 ILE 7 -2.015 14.057 10.037 65 3HD1 ILE 7 3HD1 ILE 7 -1.833 12.389 10.580 66 H LYS 8 H LYS 8 2.982 12.892 10.156 67 HA LYS 8 HA LYS 8 4.180 15.435 9.640 68 1HB LYS 8 2HB LYS 8 5.143 15.017 11.676 69 2HB LYS 8 1HB LYS 8 4.064 13.625 11.703 70 1HG LYS 8 2HG LYS 8 5.944 12.360 10.481 71 2HG LYS 8 1HG LYS 8 6.984 13.708 10.935 72 1HD LYS 8 2HD LYS 8 7.132 12.993 13.070 73 2HD LYS 8 1HD LYS 8 5.386 12.769 13.187 74 1HE LYS 8 2HE LYS 8 5.697 10.532 13.074 75 2HE LYS 8 1HE LYS 8 6.398 10.725 11.455 76 1HZ LYS 8 1HZ LYS 8 8.482 11.463 12.650 77 2HZ LYS 8 2HZ LYS 8 8.104 9.811 12.773 78 3HZ LYS 8 3HZ LYS 8 7.785 10.857 14.073 79 H ALA 9 H ALA 9 4.898 12.168 8.521 80 HA ALA 9 HA ALA 9 7.595 12.568 7.637 81 1HB ALA 9 1HB ALA 9 7.183 10.571 6.427 82 2HB ALA 9 2HB ALA 9 5.479 10.962 6.206 83 3HB ALA 9 3HB ALA 9 6.073 10.470 7.793 84 H ILE 10 H ILE 10 4.450 13.435 6.283 85 HA ILE 10 HA ILE 10 5.737 14.503 3.848 86 HB ILE 10 HB ILE 10 3.330 13.173 4.471 87 1HG1 ILE 10 2HG1 ILE 10 2.797 13.660 2.061 88 2HG1 ILE 10 1HG1 ILE 10 4.181 14.757 2.039 89 1HG2 ILE 10 1HG2 ILE 10 2.355 15.267 5.306 90 2HG2 ILE 10 2HG2 ILE 10 1.572 14.780 3.803 91 3HG2 ILE 10 3HG2 ILE 10 2.767 16.075 3.795 92 1HD1 ILE 10 1HD1 ILE 10 5.255 12.488 3.177 93 2HD1 ILE 10 2HD1 ILE 10 5.390 12.927 1.476 94 3HD1 ILE 10 3HD1 ILE 10 4.122 11.821 2.002 95 H ALA 11 H ALA 11 3.944 15.346 6.770 96 HA ALA 11 HA ALA 11 3.658 18.161 6.305 97 1HB ALA 11 1HB ALA 11 4.272 17.274 9.043 98 2HB ALA 11 2HB ALA 11 3.018 16.327 8.243 99 3HB ALA 11 3HB ALA 11 2.827 18.069 8.419 100 H GLN 12 H GLN 12 6.368 16.149 7.124 101 HA GLN 12 HA GLN 12 8.079 18.452 7.848 102 1HB GLN 12 2HB GLN 12 8.325 16.472 9.199 103 2HB GLN 12 1HB GLN 12 8.361 15.432 7.778 104 1HG GLN 12 2HG GLN 12 10.619 15.687 8.689 105 2HG GLN 12 1HG GLN 12 10.516 16.451 7.103 106 1HE2 GLN 12 1HE2 GLN 12 12.366 17.860 7.789 107 2HE2 GLN 12 2HE2 GLN 12 12.074 19.189 8.804 108 H ASP 13 H ASP 13 7.826 15.880 5.372 109 HA ASP 13 HA ASP 13 10.010 16.837 3.739 110 1HB ASP 13 2HB ASP 13 7.483 15.231 3.224 111 2HB ASP 13 1HB ASP 13 8.691 15.525 1.971 112 H THR 14 H THR 14 6.629 17.611 4.139 113 HA THR 14 HA THR 14 6.492 19.511 1.906 114 HB THR 14 HB THR 14 4.252 19.952 3.055 115 HG1 THR 14 HG1 THR 14 3.936 19.218 4.932 116 1HG2 THR 14 1HG2 THR 14 5.119 17.654 1.637 117 2HG2 THR 14 2HG2 THR 14 3.492 18.326 1.723 118 3HG2 THR 14 3HG2 THR 14 4.007 17.116 2.893 119 H GLY 15 H GLY 15 5.674 19.946 5.341 120 1HA GLY 15 2HA GLY 15 6.173 21.713 6.819 121 2HA GLY 15 1HA GLY 15 7.730 21.818 5.996 122 H LEU 16 H LEU 16 5.046 22.135 3.925 123 HA LEU 16 HA LEU 16 5.706 24.912 3.291 124 1HB LEU 16 2HB LEU 16 3.439 23.072 2.443 125 2HB LEU 16 1HB LEU 16 3.816 24.616 1.685 126 HG LEU 16 HG LEU 16 6.250 23.325 1.676 127 1HD1 LEU 16 1HD1 LEU 16 4.826 21.273 2.366 128 2HD1 LEU 16 2HD1 LEU 16 5.958 21.071 1.036 129 3HD1 LEU 16 3HD1 LEU 16 4.244 21.303 0.710 130 1HD2 LEU 16 1HD2 LEU 16 5.973 24.107 -0.434 131 2HD2 LEU 16 2HD2 LEU 16 4.225 24.180 -0.212 132 3HD2 LEU 16 3HD2 LEU 16 4.981 22.691 -0.778 133 H THR 17 H THR 17 2.943 23.184 4.657 134 HA THR 17 HA THR 17 2.252 25.475 6.338 135 HB THR 17 HB THR 17 1.366 25.368 3.746 136 HG1 THR 17 HG1 THR 17 0.487 27.167 4.380 137 1HG2 THR 17 1HG2 THR 17 -0.787 24.180 5.519 138 2HG2 THR 17 2HG2 THR 17 -0.056 23.453 4.091 139 3HG2 THR 17 3HG2 THR 17 -1.083 24.867 3.931 140 H GLN 18 H GLN 18 2.470 22.192 5.962 141 HA GLN 18 HA GLN 18 1.506 20.363 7.125 142 1HB GLN 18 2HB GLN 18 0.211 22.465 8.889 143 2HB GLN 18 1HB GLN 18 0.766 20.856 9.347 144 1HG GLN 18 2HG GLN 18 3.121 21.708 8.667 145 2HG GLN 18 1HG GLN 18 2.408 23.318 8.780 146 1HE2 GLN 18 1HE2 GLN 18 1.417 23.905 10.934 147 2HE2 GLN 18 2HE2 GLN 18 2.023 23.179 12.343 148 H VAL 19 H VAL 19 0.238 22.000 4.985 149 HA VAL 19 HA VAL 19 -2.132 22.735 4.509 150 HB VAL 19 HB VAL 19 -1.005 21.638 2.758 151 1HG1 VAL 19 1HG1 VAL 19 0.253 19.884 3.490 152 2HG1 VAL 19 2HG1 VAL 19 -1.109 18.947 2.882 153 3HG1 VAL 19 3HG1 VAL 19 -0.989 19.315 4.601 154 1HG2 VAL 19 1HG2 VAL 19 -3.431 21.544 2.406 155 2HG2 VAL 19 2HG2 VAL 19 -3.505 19.987 3.224 156 3HG2 VAL 19 3HG2 VAL 19 -2.647 20.136 1.699 157 H SER 20 H SER 20 -2.715 19.347 4.677 158 HA SER 20 HA SER 20 -4.685 19.717 6.839 159 1HB SER 20 2HB SER 20 -4.995 19.070 4.015 160 2HB SER 20 1HB SER 20 -5.617 17.781 5.027 161 HG SER 20 HG SER 20 -7.180 19.378 4.625 162 H VAL 21 H VAL 21 -1.841 18.603 6.570 163 HA VAL 21 HA VAL 21 -1.192 16.083 6.407 164 HB VAL 21 HB VAL 21 -0.290 16.175 8.772 165 1HG1 VAL 21 1HG1 VAL 21 0.888 18.508 8.223 166 2HG1 VAL 21 2HG1 VAL 21 0.107 18.244 6.663 167 3HG1 VAL 21 3HG1 VAL 21 1.244 17.051 7.293 168 1HG2 VAL 21 1HG2 VAL 21 -0.576 18.414 9.902 169 2HG2 VAL 21 2HG2 VAL 21 -2.037 17.429 9.871 170 3HG2 VAL 21 3HG2 VAL 21 -1.853 18.770 8.740 171 H SER 22 H SER 22 -3.561 17.219 8.669 172 HA SER 22 HA SER 22 -4.268 14.503 9.607 173 1HB SER 22 2HB SER 22 -4.425 16.382 11.135 174 2HB SER 22 1HB SER 22 -5.435 17.277 10.003 175 HG SER 22 HG SER 22 -6.619 16.212 11.692 176 H LYS 23 H LYS 23 -5.550 16.916 7.364 177 HA LYS 23 HA LYS 23 -7.860 15.213 6.735 178 1HB LYS 23 2HB LYS 23 -7.077 17.986 6.546 179 2HB LYS 23 1HB LYS 23 -7.726 17.417 5.007 180 1HG LYS 23 2HG LYS 23 -9.642 16.400 6.396 181 2HG LYS 23 1HG LYS 23 -9.058 17.409 7.718 182 1HD LYS 23 2HD LYS 23 -10.029 18.341 5.003 183 2HD LYS 23 1HD LYS 23 -10.792 18.639 6.565 184 1HE LYS 23 2HE LYS 23 -8.143 19.562 6.861 185 2HE LYS 23 1HE LYS 23 -8.678 20.142 5.270 186 1HZ LYS 23 1HZ LYS 23 -10.241 20.376 7.789 187 2HZ LYS 23 2HZ LYS 23 -10.715 20.951 6.262 188 3HZ LYS 23 3HZ LYS 23 -9.383 21.644 7.058 189 H MET 24 H MET 24 -4.788 16.254 5.150 190 HA MET 24 HA MET 24 -5.548 15.052 2.634 191 1HB MET 24 2HB MET 24 -2.756 14.913 2.744 192 2HB MET 24 1HB MET 24 -3.707 16.201 2.031 193 1HG MET 24 2HG MET 24 -3.294 17.640 3.769 194 2HG MET 24 1HG MET 24 -3.289 16.340 4.959 195 1HE MET 24 1HE MET 24 -2.004 14.664 5.091 196 2HE MET 24 2HE MET 24 -0.257 14.807 5.264 197 3HE MET 24 3HE MET 24 -0.939 14.207 3.755 198 H LEU 25 H LEU 25 -3.829 13.775 5.550 199 HA LEU 25 HA LEU 25 -3.453 11.199 4.203 200 1HB LEU 25 2HB LEU 25 -3.110 12.266 7.000 201 2HB LEU 25 1HB LEU 25 -2.900 10.553 6.651 202 HG LEU 25 HG LEU 25 -1.095 12.778 6.133 203 1HD1 LEU 25 1HD1 LEU 25 -0.367 9.968 5.473 204 2HD1 LEU 25 2HD1 LEU 25 -0.908 10.261 7.124 205 3HD1 LEU 25 3HD1 LEU 25 0.480 11.138 6.482 206 1HD2 LEU 25 1HD2 LEU 25 -2.027 12.597 3.822 207 2HD2 LEU 25 2HD2 LEU 25 -1.601 10.885 3.811 208 3HD2 LEU 25 3HD2 LEU 25 -0.335 12.108 3.901 209 H ALA 26 H ALA 26 -5.653 12.427 6.763 210 HA ALA 26 HA ALA 26 -7.185 10.052 7.100 211 1HB ALA 26 1HB ALA 26 -7.406 12.062 8.498 212 2HB ALA 26 2HB ALA 26 -8.970 11.684 7.775 213 3HB ALA 26 3HB ALA 26 -7.983 12.986 7.111 214 H SER 27 H SER 27 -7.280 12.622 4.673 215 HA SER 27 HA SER 27 -9.557 11.425 3.257 216 1HB SER 27 2HB SER 27 -8.993 13.909 3.454 217 2HB SER 27 1HB SER 27 -7.673 13.602 2.327 218 HG SER 27 HG SER 27 -10.461 13.330 1.947 219 H PHE 28 H PHE 28 -6.040 11.428 3.111 220 HA PHE 28 HA PHE 28 -5.541 10.489 0.485 221 1HB PHE 28 2HB PHE 28 -3.714 11.012 1.919 222 2HB PHE 28 1HB PHE 28 -4.342 10.012 3.218 223 HD1 PHE 28 HD1 PHE 28 -2.227 10.137 0.313 224 HD2 PHE 28 HD2 PHE 28 -4.300 7.441 2.937 225 HE1 PHE 28 HE1 PHE 28 -0.734 8.321 -0.385 226 HE2 PHE 28 HE2 PHE 28 -2.809 5.626 2.232 227 HZ PHE 28 HZ PHE 28 -1.021 6.043 0.563 228 H GLU 29 H GLU 29 -6.312 8.617 3.438 229 HA GLU 29 HA GLU 29 -6.528 6.106 2.020 230 1HB GLU 29 2HB GLU 29 -6.244 6.510 4.534 231 2HB GLU 29 1HB GLU 29 -7.960 6.937 4.557 232 1HG GLU 29 2HG GLU 29 -8.015 4.639 3.102 233 2HG GLU 29 1HG GLU 29 -6.679 4.316 4.197 234 H LYS 30 H LYS 30 -8.658 8.777 2.866 235 HA LYS 30 HA LYS 30 -11.115 7.577 1.975 236 1HB LYS 30 2HB LYS 30 -10.620 9.707 3.399 237 2HB LYS 30 1HB LYS 30 -10.457 10.514 1.837 238 1HG LYS 30 2HG LYS 30 -12.691 10.009 1.217 239 2HG LYS 30 1HG LYS 30 -12.863 8.820 2.509 240 1HD LYS 30 2HD LYS 30 -12.854 10.529 4.199 241 2HD LYS 30 1HD LYS 30 -12.382 11.764 3.031 242 1HE LYS 30 2HE LYS 30 -14.513 11.908 2.116 243 2HE LYS 30 1HE LYS 30 -14.914 10.230 2.531 244 1HZ LYS 30 1HZ LYS 30 -15.064 10.780 4.814 245 2HZ LYS 30 2HZ LYS 30 -15.970 11.957 3.990 246 3HZ LYS 30 3HZ LYS 30 -14.416 12.329 4.568 247 H ILE 31 H ILE 31 -8.349 8.826 0.269 248 HA ILE 31 HA ILE 31 -10.003 8.905 -2.216 249 HB ILE 31 HB ILE 31 -7.910 10.091 -3.076 250 1HG1 ILE 31 2HG1 ILE 31 -7.079 11.427 -0.855 251 2HG1 ILE 31 1HG1 ILE 31 -7.205 9.773 -0.287 252 1HG2 ILE 31 1HG2 ILE 31 -9.478 11.511 -0.941 253 2HG2 ILE 31 2HG2 ILE 31 -10.197 11.028 -2.477 254 3HG2 ILE 31 3HG2 ILE 31 -8.864 12.183 -2.453 255 1HD1 ILE 31 1HD1 ILE 31 -5.391 10.923 -2.318 256 2HD1 ILE 31 2HD1 ILE 31 -6.042 9.323 -2.678 257 3HD1 ILE 31 3HD1 ILE 31 -5.117 9.588 -1.199 258 H ILE 32 H ILE 32 -7.368 7.408 -0.595 259 HA ILE 32 HA ILE 32 -6.380 5.942 -2.904 260 HB ILE 32 HB ILE 32 -6.113 5.400 0.065 261 1HG1 ILE 32 2HG1 ILE 32 -5.178 7.611 -1.375 262 2HG1 ILE 32 1HG1 ILE 32 -4.559 7.047 0.173 263 1HG2 ILE 32 1HG2 ILE 32 -5.571 3.468 -1.328 264 2HG2 ILE 32 2HG2 ILE 32 -4.076 4.147 -0.686 265 3HG2 ILE 32 3HG2 ILE 32 -4.538 4.455 -2.359 266 1HD1 ILE 32 1HD1 ILE 32 -2.784 7.331 -1.572 267 2HD1 ILE 32 2HD1 ILE 32 -3.565 6.056 -2.504 268 3HD1 ILE 32 3HD1 ILE 32 -2.880 5.695 -0.920 269 H THR 33 H THR 33 -8.159 5.123 0.030 270 HA THR 33 HA THR 33 -8.985 2.571 -1.056 271 HB THR 33 HB THR 33 -8.839 3.974 1.464 272 HG1 THR 33 HG1 THR 33 -8.016 1.881 0.856 273 1HG2 THR 33 1HG2 THR 33 -11.478 2.654 0.834 274 2HG2 THR 33 2HG2 THR 33 -11.212 4.308 1.383 275 3HG2 THR 33 3HG2 THR 33 -10.907 2.956 2.474 276 H GLU 34 H GLU 34 -10.346 5.851 -0.793 277 HA GLU 34 HA GLU 34 -13.037 4.961 -1.487 278 1HB GLU 34 2HB GLU 34 -11.582 7.595 -1.364 279 2HB GLU 34 1HB GLU 34 -13.303 7.470 -1.705 280 1HG GLU 34 2HG GLU 34 -11.988 6.274 0.767 281 2HG GLU 34 1HG GLU 34 -12.802 7.838 0.756 282 H THR 35 H THR 35 -10.127 6.053 -3.329 283 HA THR 35 HA THR 35 -11.672 6.427 -5.801 284 HB THR 35 HB THR 35 -8.730 6.003 -5.216 285 HG1 THR 35 HG1 THR 35 -9.563 8.039 -4.698 286 1HG2 THR 35 1HG2 THR 35 -9.212 5.001 -7.381 287 2HG2 THR 35 2HG2 THR 35 -8.444 6.562 -7.665 288 3HG2 THR 35 3HG2 THR 35 -10.188 6.393 -7.845 289 H VAL 36 H VAL 36 -9.314 3.980 -4.750 290 HA VAL 36 HA VAL 36 -9.602 2.015 -6.685 291 HB VAL 36 HB VAL 36 -9.142 0.462 -4.727 292 1HG1 VAL 36 1HG1 VAL 36 -7.224 2.160 -3.835 293 2HG1 VAL 36 2HG1 VAL 36 -7.673 2.952 -5.345 294 3HG1 VAL 36 3HG1 VAL 36 -7.110 1.281 -5.359 295 1HG2 VAL 36 1HG2 VAL 36 -9.839 2.973 -3.227 296 2HG2 VAL 36 2HG2 VAL 36 -8.862 1.693 -2.521 297 3HG2 VAL 36 3HG2 VAL 36 -10.517 1.360 -3.026 298 H ALA 37 H ALA 37 -11.722 2.729 -3.950 299 HA ALA 37 HA ALA 37 -13.643 0.643 -4.632 300 1HB ALA 37 1HB ALA 37 -13.562 2.991 -2.726 301 2HB ALA 37 2HB ALA 37 -13.342 1.285 -2.337 302 3HB ALA 37 3HB ALA 37 -14.923 1.881 -2.824 303 H LYS 38 H LYS 38 -13.205 4.095 -5.234 304 HA LYS 38 HA LYS 38 -15.830 4.667 -6.283 305 1HB LYS 38 2HB LYS 38 -13.467 6.053 -5.834 306 2HB LYS 38 1HB LYS 38 -13.516 5.960 -7.590 307 1HG LYS 38 2HG LYS 38 -15.288 7.375 -7.736 308 2HG LYS 38 1HG LYS 38 -16.093 6.660 -6.338 309 1HD LYS 38 2HD LYS 38 -13.665 8.453 -6.102 310 2HD LYS 38 1HD LYS 38 -15.319 9.059 -6.021 311 1HE LYS 38 2HE LYS 38 -14.867 6.732 -4.276 312 2HE LYS 38 1HE LYS 38 -13.883 8.144 -3.844 313 1HZ LYS 38 1HZ LYS 38 -16.787 8.275 -4.453 314 2HZ LYS 38 2HZ LYS 38 -15.808 9.525 -3.845 315 3HZ LYS 38 3HZ LYS 38 -16.164 8.173 -2.879 316 H GLY 39 H GLY 39 -12.983 3.067 -7.305 317 1HA GLY 39 2HA GLY 39 -13.330 1.244 -8.845 318 2HA GLY 39 1HA GLY 39 -14.359 2.321 -9.785 319 H ASP 40 H ASP 40 -11.361 3.466 -8.389 320 HA ASP 40 HA ASP 40 -10.184 3.464 -11.165 321 1HB ASP 40 2HB ASP 40 -10.823 5.592 -9.329 322 2HB ASP 40 1HB ASP 40 -9.085 5.573 -9.624 323 H LYS 41 H LYS 41 -8.111 2.709 -11.328 324 HA LYS 41 HA LYS 41 -6.925 1.344 -9.031 325 1HB LYS 41 2HB LYS 41 -6.154 1.726 -11.939 326 2HB LYS 41 1HB LYS 41 -5.254 0.702 -10.819 327 1HG LYS 41 2HG LYS 41 -6.923 -0.887 -10.708 328 2HG LYS 41 1HG LYS 41 -8.206 0.289 -11.001 329 1HD LYS 41 2HD LYS 41 -7.956 0.201 -13.294 330 2HD LYS 41 1HD LYS 41 -6.242 -0.200 -13.198 331 1HE LYS 41 2HE LYS 41 -8.190 -2.208 -12.130 332 2HE LYS 41 1HE LYS 41 -8.028 -2.056 -13.891 333 1HZ LYS 41 1HZ LYS 41 -5.919 -2.647 -11.900 334 2HZ LYS 41 2HZ LYS 41 -5.538 -2.052 -13.445 335 3HZ LYS 41 3HZ LYS 41 -6.343 -3.540 -13.280 336 H VAL 42 H VAL 42 -6.359 3.169 -7.671 337 HA VAL 42 HA VAL 42 -4.699 5.360 -8.511 338 HB VAL 42 HB VAL 42 -4.388 5.626 -6.065 339 1HG1 VAL 42 1HG1 VAL 42 -6.433 6.553 -6.362 340 2HG1 VAL 42 2HG1 VAL 42 -7.061 5.072 -5.638 341 3HG1 VAL 42 3HG1 VAL 42 -6.976 5.228 -7.392 342 1HG2 VAL 42 1HG2 VAL 42 -4.103 3.599 -5.028 343 2HG2 VAL 42 2HG2 VAL 42 -5.190 2.763 -6.136 344 3HG2 VAL 42 3HG2 VAL 42 -5.848 3.722 -4.811 345 H GLN 43 H GLN 43 -2.440 5.520 -8.608 346 HA GLN 43 HA GLN 43 -0.853 3.116 -7.781 347 1HB GLN 43 2HB GLN 43 -0.516 4.697 -10.346 348 2HB GLN 43 1HB GLN 43 0.301 3.197 -9.915 349 1HG GLN 43 2HG GLN 43 -2.286 2.424 -9.644 350 2HG GLN 43 1HG GLN 43 -2.453 3.628 -10.922 351 1HE2 GLN 43 1HE2 GLN 43 -1.357 3.215 -12.974 352 2HE2 GLN 43 2HE2 GLN 43 -0.745 1.678 -13.355 353 H LEU 44 H LEU 44 1.592 3.726 -7.821 354 HA LEU 44 HA LEU 44 1.958 6.601 -7.050 355 1HB LEU 44 2HB LEU 44 3.109 4.140 -5.699 356 2HB LEU 44 1HB LEU 44 3.379 5.809 -5.215 357 HG LEU 44 HG LEU 44 0.565 4.809 -5.429 358 1HD1 LEU 44 1HD1 LEU 44 0.781 4.194 -2.969 359 2HD1 LEU 44 2HD1 LEU 44 2.529 4.247 -3.195 360 3HD1 LEU 44 3HD1 LEU 44 1.558 3.088 -4.097 361 1HD2 LEU 44 1HD2 LEU 44 2.069 7.067 -4.291 362 2HD2 LEU 44 2HD2 LEU 44 0.877 6.385 -3.186 363 3HD2 LEU 44 3HD2 LEU 44 0.375 6.974 -4.768 364 H THR 45 H THR 45 3.381 7.437 -8.502 365 HA THR 45 HA THR 45 5.023 7.374 -10.260 366 HB THR 45 HB THR 45 6.236 8.378 -8.567 367 HG1 THR 45 HG1 THR 45 8.187 7.570 -8.775 368 1HG2 THR 45 1HG2 THR 45 5.201 7.382 -6.648 369 2HG2 THR 45 2HG2 THR 45 6.931 7.096 -6.475 370 3HG2 THR 45 3HG2 THR 45 5.874 5.800 -7.027 371 H GLY 46 H GLY 46 6.837 4.973 -8.438 372 1HA GLY 46 2HA GLY 46 6.057 2.798 -10.261 373 2HA GLY 46 1HA GLY 46 7.713 3.377 -10.435 374 H PHE 47 H PHE 47 5.984 3.227 -7.351 375 HA PHE 47 HA PHE 47 7.724 0.937 -6.538 376 1HB PHE 47 2HB PHE 47 8.513 2.096 -4.685 377 2HB PHE 47 1HB PHE 47 8.370 3.405 -5.860 378 HD1 PHE 47 HD1 PHE 47 6.658 5.042 -5.696 379 HD2 PHE 47 HD2 PHE 47 6.800 1.797 -2.930 380 HE1 PHE 47 HE1 PHE 47 4.976 6.185 -4.293 381 HE2 PHE 47 HE2 PHE 47 5.114 2.917 -1.522 382 HZ PHE 47 HZ PHE 47 4.200 5.121 -2.210 383 H LEU 48 H LEU 48 4.562 2.346 -6.487 384 HA LEU 48 HA LEU 48 3.631 -0.041 -5.131 385 1HB LEU 48 2HB LEU 48 4.480 1.341 -3.343 386 2HB LEU 48 1HB LEU 48 3.516 2.705 -3.907 387 HG LEU 48 HG LEU 48 1.508 1.469 -3.514 388 1HD1 LEU 48 1HD1 LEU 48 2.257 -0.751 -1.999 389 2HD1 LEU 48 2HD1 LEU 48 3.377 -0.760 -3.358 390 3HD1 LEU 48 3HD1 LEU 48 1.638 -0.786 -3.649 391 1HD2 LEU 48 1HD2 LEU 48 1.698 1.278 -1.021 392 2HD2 LEU 48 2HD2 LEU 48 2.385 2.768 -1.668 393 3HD2 LEU 48 3HD2 LEU 48 3.444 1.438 -1.201 394 H ASN 49 H ASN 49 1.839 -0.586 -6.202 395 HA ASN 49 HA ASN 49 0.004 1.570 -7.171 396 1HB ASN 49 2HB ASN 49 1.154 -0.866 -8.537 397 2HB ASN 49 1HB ASN 49 -0.294 -0.064 -9.146 398 1HD2 ASN 49 1HD2 ASN 49 1.177 0.397 -11.092 399 2HD2 ASN 49 2HD2 ASN 49 2.183 1.762 -11.019 400 H ILE 50 H ILE 50 -1.913 1.295 -6.175 401 HA ILE 50 HA ILE 50 -2.784 -1.374 -5.192 402 HB ILE 50 HB ILE 50 -4.321 1.201 -4.913 403 1HG1 ILE 50 2HG1 ILE 50 -2.024 1.864 -4.387 404 2HG1 ILE 50 1HG1 ILE 50 -2.962 1.755 -2.899 405 1HG2 ILE 50 1HG2 ILE 50 -5.038 -1.119 -4.042 406 2HG2 ILE 50 2HG2 ILE 50 -5.111 0.232 -2.911 407 3HG2 ILE 50 3HG2 ILE 50 -3.771 -0.911 -2.834 408 1HD1 ILE 50 1HD1 ILE 50 -2.094 -0.653 -2.725 409 2HD1 ILE 50 2HD1 ILE 50 -0.933 0.636 -2.409 410 3HD1 ILE 50 3HD1 ILE 50 -0.925 -0.195 -3.965 411 H LYS 51 H LYS 51 -4.875 -2.307 -5.901 412 HA LYS 51 HA LYS 51 -6.452 -0.870 -7.923 413 1HB LYS 51 2HB LYS 51 -5.903 -2.712 -9.663 414 2HB LYS 51 1HB LYS 51 -4.695 -1.457 -9.394 415 1HG LYS 51 2HG LYS 51 -3.284 -2.884 -8.200 416 2HG LYS 51 1HG LYS 51 -4.595 -3.978 -7.765 417 1HD LYS 51 2HD LYS 51 -3.647 -3.607 -10.614 418 2HD LYS 51 1HD LYS 51 -2.998 -4.850 -9.544 419 1HE LYS 51 2HE LYS 51 -5.318 -5.733 -9.217 420 2HE LYS 51 1HE LYS 51 -5.897 -4.550 -10.406 421 1HZ LYS 51 1HZ LYS 51 -3.839 -6.646 -10.847 422 2HZ LYS 51 2HZ LYS 51 -4.217 -5.425 -11.966 423 3HZ LYS 51 3HZ LYS 51 -5.384 -6.585 -11.543 424 HA PRO 52 HA PRO 52 -9.002 -4.014 -5.982 425 1HB PRO 52 2HB PRO 52 -11.378 -2.728 -6.354 426 2HB PRO 52 1HB PRO 52 -10.259 -2.330 -5.039 427 1HG PRO 52 2HG PRO 52 -10.870 -0.866 -7.502 428 2HG PRO 52 1HG PRO 52 -10.226 -0.290 -5.965 429 1HD PRO 52 2HD PRO 52 -8.769 -0.767 -8.348 430 2HD PRO 52 1HD PRO 52 -8.113 -0.349 -6.751 431 H VAL 53 H VAL 53 -10.561 -5.531 -6.708 432 HA VAL 53 HA VAL 53 -11.403 -5.396 -9.527 433 HB VAL 53 HB VAL 53 -10.397 -7.616 -9.951 434 1HG1 VAL 53 1HG1 VAL 53 -9.155 -5.384 -10.291 435 2HG1 VAL 53 2HG1 VAL 53 -8.154 -6.833 -10.203 436 3HG1 VAL 53 3HG1 VAL 53 -8.291 -5.769 -8.803 437 1HG2 VAL 53 1HG2 VAL 53 -9.916 -7.381 -7.050 438 2HG2 VAL 53 2HG2 VAL 53 -8.524 -7.960 -7.959 439 3HG2 VAL 53 3HG2 VAL 53 -10.057 -8.827 -8.044 440 H ALA 54 H ALA 54 -13.510 -5.840 -9.490 441 HA ALA 54 HA ALA 54 -14.783 -7.191 -7.256 442 1HB ALA 54 1HB ALA 54 -15.783 -6.262 -9.960 443 2HB ALA 54 2HB ALA 54 -15.808 -5.327 -8.464 444 3HB ALA 54 3HB ALA 54 -16.819 -6.764 -8.624 445 H ARG 55 H ARG 55 -14.825 -9.369 -7.046 446 HA ARG 55 HA ARG 55 -15.926 -11.191 -8.901 447 1HB ARG 55 2HB ARG 55 -13.732 -12.295 -9.639 448 2HB ARG 55 1HB ARG 55 -14.082 -10.738 -10.383 449 1HG ARG 55 2HG ARG 55 -12.553 -9.598 -8.926 450 2HG ARG 55 1HG ARG 55 -12.380 -11.018 -7.896 451 1HD ARG 55 2HD ARG 55 -10.416 -10.850 -9.353 452 2HD ARG 55 1HD ARG 55 -11.386 -12.243 -9.871 453 HE ARG 55 HE ARG 55 -12.481 -10.444 -11.466 454 1HH1 ARG 55 2HH1 ARG 55 -9.507 -11.791 -11.607 455 2HH1 ARG 55 1HH1 ARG 55 -8.738 -10.531 -12.514 456 1HH2 ARG 55 1HH2 ARG 55 -11.367 -8.299 -12.144 457 2HH2 ARG 55 2HH2 ARG 55 -9.792 -8.553 -12.818 458 H GLN 56 H GLN 56 -16.411 -11.239 -6.323 459 HA GLN 56 HA GLN 56 -14.954 -13.620 -5.326 460 1HB GLN 56 2HB GLN 56 -15.025 -10.886 -4.067 461 2HB GLN 56 1HB GLN 56 -14.695 -12.329 -3.110 462 1HG GLN 56 2HG GLN 56 -12.856 -12.892 -4.745 463 2HG GLN 56 1HG GLN 56 -13.111 -11.311 -5.483 464 1HE2 GLN 56 1HE2 GLN 56 -12.501 -9.404 -4.242 465 2HE2 GLN 56 2HE2 GLN 56 -11.540 -9.524 -2.849 466 H ALA 57 H ALA 57 -17.320 -14.309 -5.898 467 HA ALA 57 HA ALA 57 -18.898 -14.163 -3.387 468 1HB ALA 57 1HB ALA 57 -20.664 -13.085 -4.330 469 2HB ALA 57 2HB ALA 57 -20.445 -13.881 -5.884 470 3HB ALA 57 3HB ALA 57 -19.444 -12.496 -5.453 471 H ARG 58 H ARG 58 -17.701 -16.445 -3.688 472 HA ARG 58 HA ARG 58 -19.724 -18.403 -4.348 473 1HB ARG 58 2HB ARG 58 -18.743 -19.166 -6.405 474 2HB ARG 58 1HB ARG 58 -19.088 -17.438 -6.525 475 1HG ARG 58 2HG ARG 58 -16.623 -17.372 -5.392 476 2HG ARG 58 1HG ARG 58 -16.475 -18.819 -6.389 477 1HD ARG 58 2HD ARG 58 -17.780 -16.555 -7.753 478 2HD ARG 58 1HD ARG 58 -16.089 -16.260 -7.304 479 HE ARG 58 HE ARG 58 -16.535 -18.898 -8.492 480 1HH1 ARG 58 1HH2 ARG 58 -17.100 -15.986 -9.914 481 2HH1 ARG 58 2HH2 ARG 58 -15.796 -16.053 -11.052 482 1HH2 ARG 58 2HH1 ARG 58 -14.305 -18.818 -9.584 483 2HH2 ARG 58 1HH1 ARG 58 -14.214 -17.656 -10.866 484 H LYS 59 H LYS 59 -19.169 -20.078 -2.999 485 HA LYS 59 HA LYS 59 -16.798 -21.615 -3.072 486 1HB LYS 59 2HB LYS 59 -16.322 -19.083 -2.025 487 2HB LYS 59 1HB LYS 59 -16.521 -20.075 -0.589 488 1HG LYS 59 2HG LYS 59 -14.737 -21.505 -1.184 489 2HG LYS 59 1HG LYS 59 -14.750 -20.964 -2.863 490 1HD LYS 59 2HD LYS 59 -14.008 -19.219 -0.496 491 2HD LYS 59 1HD LYS 59 -12.847 -19.998 -1.571 492 1HE LYS 59 2HE LYS 59 -14.286 -18.779 -3.456 493 2HE LYS 59 1HE LYS 59 -14.664 -17.679 -2.115 494 1HZ LYS 59 1HZ LYS 59 -12.586 -17.091 -3.303 495 2HZ LYS 59 2HZ LYS 59 -11.920 -18.577 -2.818 496 3HZ LYS 59 3HZ LYS 59 -12.346 -17.413 -1.656 497 H GLY 60 H GLY 60 -19.828 -21.381 -2.242 498 1HA GLY 60 2HA GLY 60 -19.748 -22.499 0.470 499 2HA GLY 60 1HA GLY 60 -21.196 -22.182 -0.480 500 H PHE 61 H PHE 61 -18.995 -23.820 -2.424 501 HA PHE 61 HA PHE 61 -20.525 -26.151 -2.800 502 1HB PHE 61 2HB PHE 61 -17.714 -25.271 -3.179 503 2HB PHE 61 1HB PHE 61 -17.968 -27.013 -3.207 504 HD1 PHE 61 HD1 PHE 61 -20.524 -27.423 -4.482 505 HD2 PHE 61 HD2 PHE 61 -17.528 -24.470 -5.349 506 HE1 PHE 61 HE1 PHE 61 -21.346 -27.257 -6.813 507 HE2 PHE 61 HE2 PHE 61 -18.357 -24.303 -7.675 508 HZ PHE 61 HZ PHE 61 -20.268 -25.699 -8.408 509 H ASN 62 H ASN 62 -19.372 -28.466 -2.202 510 HA ASN 62 HA ASN 62 -18.667 -28.387 0.698 511 1HB ASN 62 2HB ASN 62 -20.989 -29.003 0.561 512 2HB ASN 62 1HB ASN 62 -20.675 -30.172 -0.711 513 1HD2 ASN 62 1HD2 ASN 62 -18.575 -29.776 2.146 514 2HD2 ASN 62 2HD2 ASN 62 -18.937 -31.284 2.832 515 HA PRO 63 HA PRO 63 -16.168 -31.902 -1.028 516 1HB PRO 63 2HB PRO 63 -17.069 -33.515 -3.047 517 2HB PRO 63 1HB PRO 63 -17.454 -33.815 -1.341 518 1HG PRO 63 2HG PRO 63 -19.131 -32.684 -3.481 519 2HG PRO 63 1HG PRO 63 -19.593 -33.642 -2.075 520 1HD PRO 63 2HD PRO 63 -19.893 -30.881 -2.298 521 2HD PRO 63 1HD PRO 63 -19.910 -31.816 -0.792 522 H GLN 64 H GLN 64 -17.840 -29.697 -2.920 523 HA GLN 64 HA GLN 64 -16.925 -28.080 -4.388 524 1HB GLN 64 2HB GLN 64 -14.730 -29.117 -3.544 525 2HB GLN 64 1HB GLN 64 -14.745 -30.020 -5.059 526 1HG GLN 64 2HG GLN 64 -14.749 -27.996 -6.361 527 2HG GLN 64 1HG GLN 64 -15.016 -27.009 -4.924 528 1HE2 GLN 64 1HE2 GLN 64 -12.639 -29.506 -6.025 529 2HE2 GLN 64 2HE2 GLN 64 -11.282 -28.685 -5.417 530 H THR 65 H THR 65 -19.035 -29.331 -5.310 531 HA THR 65 HA THR 65 -18.854 -29.256 -8.110 532 HB THR 65 HB THR 65 -17.466 -31.122 -8.269 533 HG1 THR 65 HG1 THR 65 -18.787 -32.808 -9.008 534 1HG2 THR 65 1HG2 THR 65 -18.560 -31.787 -5.694 535 2HG2 THR 65 2HG2 THR 65 -17.095 -32.391 -6.458 536 3HG2 THR 65 3HG2 THR 65 -18.636 -33.200 -6.743 537 H GLN 66 H GLN 66 -20.769 -28.960 -5.686 538 HA GLN 66 HA GLN 66 -23.154 -29.911 -7.167 539 1HB GLN 66 2HB GLN 66 -22.632 -30.530 -4.241 540 2HB GLN 66 1HB GLN 66 -24.079 -30.967 -5.141 541 1HG GLN 66 2HG GLN 66 -22.911 -32.936 -5.343 542 2HG GLN 66 1HG GLN 66 -22.299 -32.097 -6.763 543 1HE2 GLN 66 1HE2 GLN 66 -20.904 -30.336 -4.359 544 2HE2 GLN 66 2HE2 GLN 66 -19.474 -31.206 -4.153 545 H GLU 67 H GLU 67 -23.945 -29.162 -3.974 546 HA GLU 67 HA GLU 67 -25.382 -26.791 -4.656 547 1HB GLU 67 2HB GLU 67 -25.615 -26.649 -2.145 548 2HB GLU 67 1HB GLU 67 -26.018 -28.231 -2.811 549 1HG GLU 67 2HG GLU 67 -24.244 -29.250 -1.808 550 2HG GLU 67 1HG GLU 67 -23.171 -27.879 -2.086 551 H ALA 68 H ALA 68 -23.681 -25.508 -5.703 552 HA ALA 68 HA ALA 68 -21.408 -24.517 -4.176 553 1HB ALA 68 1HB ALA 68 -22.100 -24.745 -6.801 554 2HB ALA 68 2HB ALA 68 -20.814 -23.685 -6.222 555 3HB ALA 68 3HB ALA 68 -22.423 -23.033 -6.529 556 H LEU 69 H LEU 69 -23.168 -23.935 -2.368 557 HA LEU 69 HA LEU 69 -24.779 -21.572 -2.688 558 1HB LEU 69 2HB LEU 69 -24.570 -21.616 -0.094 559 2HB LEU 69 1HB LEU 69 -25.308 -23.007 -0.881 560 HG LEU 69 HG LEU 69 -22.465 -23.392 -0.780 561 1HD1 LEU 69 1HD1 LEU 69 -23.777 -22.772 1.875 562 2HD1 LEU 69 2HD1 LEU 69 -22.461 -21.864 1.129 563 3HD1 LEU 69 3HD1 LEU 69 -22.189 -23.517 1.679 564 1HD2 LEU 69 1HD2 LEU 69 -24.658 -24.949 -0.720 565 2HD2 LEU 69 2HD2 LEU 69 -24.291 -24.910 1.005 566 3HD2 LEU 69 3HD2 LEU 69 -23.088 -25.503 -0.139 567 H GLU 70 H GLU 70 -22.861 -20.501 -3.911 568 HA GLU 70 HA GLU 70 -20.585 -19.456 -3.484 569 1HB GLU 70 2HB GLU 70 -23.146 -17.939 -3.970 570 2HB GLU 70 1HB GLU 70 -21.555 -17.225 -4.222 571 1HG GLU 70 2HG GLU 70 -21.071 -19.327 -5.661 572 2HG GLU 70 1HG GLU 70 -22.821 -19.542 -5.671 573 H ILE 71 H ILE 71 -20.429 -16.892 -2.878 574 HA ILE 71 HA ILE 71 -20.719 -16.694 0.080 575 HB ILE 71 HB ILE 71 -18.417 -16.692 0.142 576 1HG1 ILE 71 2HG1 ILE 71 -18.473 -15.190 -2.459 577 2HG1 ILE 71 1HG1 ILE 71 -18.161 -14.495 -0.882 578 1HG2 ILE 71 1HG2 ILE 71 -18.647 -18.699 -1.012 579 2HG2 ILE 71 2HG2 ILE 71 -17.431 -17.830 -1.941 580 3HG2 ILE 71 3HG2 ILE 71 -19.088 -17.882 -2.499 581 1HD1 ILE 71 1HD1 ILE 71 -16.083 -14.846 -2.172 582 2HD1 ILE 71 2HD1 ILE 71 -16.430 -16.575 -2.226 583 3HD1 ILE 71 3HD1 ILE 71 -16.110 -15.787 -0.681 584 H ALA 72 H ALA 72 -19.476 -14.300 0.332 585 HA ALA 72 HA ALA 72 -21.472 -12.458 -0.764 586 1HB ALA 72 1HB ALA 72 -19.262 -12.490 1.261 587 2HB ALA 72 2HB ALA 72 -20.992 -12.263 1.520 588 3HB ALA 72 3HB ALA 72 -20.027 -10.967 0.810 589 HA PRO 73 HA PRO 73 -18.662 -11.308 -4.084 590 1HB PRO 73 2HB PRO 73 -20.264 -9.268 -5.012 591 2HB PRO 73 1HB PRO 73 -20.526 -10.973 -5.425 592 1HG PRO 73 2HG PRO 73 -21.845 -9.314 -3.315 593 2HG PRO 73 1HG PRO 73 -22.573 -10.438 -4.479 594 1HD PRO 73 2HD PRO 73 -22.156 -11.190 -1.959 595 2HD PRO 73 1HD PRO 73 -21.870 -12.324 -3.298 596 H SER 74 H SER 74 -16.919 -10.037 -3.658 597 HA SER 74 HA SER 74 -17.290 -7.337 -2.489 598 1HB SER 74 2HB SER 74 -15.378 -9.369 -1.317 599 2HB SER 74 1HB SER 74 -15.848 -7.817 -0.632 600 HG SER 74 HG SER 74 -17.776 -8.627 -0.086 601 H VAL 75 H VAL 75 -15.735 -5.915 -3.227 602 HA VAL 75 HA VAL 75 -14.264 -6.341 -5.557 603 HB VAL 75 HB VAL 75 -14.784 -4.171 -4.540 604 1HG1 VAL 75 1HG1 VAL 75 -13.574 -5.396 -2.249 605 2HG1 VAL 75 2HG1 VAL 75 -14.390 -3.837 -2.349 606 3HG1 VAL 75 3HG1 VAL 75 -12.656 -3.944 -2.647 607 1HG2 VAL 75 1HG2 VAL 75 -12.880 -4.340 -6.127 608 2HG2 VAL 75 2HG2 VAL 75 -11.792 -4.626 -4.768 609 3HG2 VAL 75 3HG2 VAL 75 -12.617 -3.078 -4.926 610 H GLY 76 H GLY 76 -11.906 -6.475 -5.905 611 1HA GLY 76 2HA GLY 76 -10.564 -8.078 -3.751 612 2HA GLY 76 1HA GLY 76 -10.298 -8.362 -5.472 613 H VAL 77 H VAL 77 -10.092 -5.734 -3.084 614 HA VAL 77 HA VAL 77 -8.509 -3.866 -4.403 615 HB VAL 77 HB VAL 77 -9.445 -3.562 -2.175 616 1HG1 VAL 77 1HG1 VAL 77 -7.338 -5.424 -1.087 617 2HG1 VAL 77 2HG1 VAL 77 -8.929 -6.018 -1.543 618 3HG1 VAL 77 3HG1 VAL 77 -8.771 -4.803 -0.275 619 1HG2 VAL 77 1HG2 VAL 77 -6.426 -3.520 -1.908 620 2HG2 VAL 77 2HG2 VAL 77 -7.588 -2.451 -1.129 621 3HG2 VAL 77 3HG2 VAL 77 -7.318 -2.339 -2.867 622 H SER 78 H SER 78 -7.154 -5.219 -5.831 623 HA SER 78 HA SER 78 -4.950 -6.712 -4.618 624 1HB SER 78 2HB SER 78 -4.561 -5.828 -7.369 625 2HB SER 78 1HB SER 78 -4.769 -7.462 -6.756 626 HG SER 78 HG SER 78 -6.492 -6.979 -8.093 627 H VAL 79 H VAL 79 -2.669 -5.892 -5.435 628 HA VAL 79 HA VAL 79 -2.128 -3.129 -5.855 629 HB VAL 79 HB VAL 79 -2.950 -2.520 -3.738 630 1HG1 VAL 79 1HG1 VAL 79 -3.798 -4.420 -2.746 631 2HG1 VAL 79 2HG1 VAL 79 -2.374 -4.195 -1.730 632 3HG1 VAL 79 3HG1 VAL 79 -2.337 -5.360 -3.053 633 1HG2 VAL 79 1HG2 VAL 79 -1.125 -2.281 -2.137 634 2HG2 VAL 79 2HG2 VAL 79 -0.518 -1.989 -3.764 635 3HG2 VAL 79 3HG2 VAL 79 -0.196 -3.527 -2.967 636 H LYS 80 H LYS 80 0.273 -2.699 -5.143 637 HA LYS 80 HA LYS 80 1.975 -4.846 -4.406 638 1HB LYS 80 2HB LYS 80 2.986 -5.225 -6.686 639 2HB LYS 80 1HB LYS 80 1.321 -5.788 -6.561 640 1HG LYS 80 2HG LYS 80 0.489 -3.848 -7.706 641 2HG LYS 80 1HG LYS 80 2.057 -3.044 -7.609 642 1HD LYS 80 2HD LYS 80 2.248 -3.859 -9.748 643 2HD LYS 80 1HD LYS 80 2.814 -5.290 -8.884 644 1HE LYS 80 2HE LYS 80 0.874 -6.475 -9.299 645 2HE LYS 80 1HE LYS 80 -0.138 -5.017 -9.294 646 1HZ LYS 80 1HZ LYS 80 1.874 -5.679 -11.380 647 2HZ LYS 80 2HZ LYS 80 0.832 -4.337 -11.376 648 3HZ LYS 80 3HZ LYS 80 0.201 -5.905 -11.550 649 HA PRO 81 HA PRO 81 4.758 -1.404 -4.620 650 1HB PRO 81 2HB PRO 81 7.050 -2.781 -4.095 651 2HB PRO 81 1HB PRO 81 5.769 -2.567 -2.886 652 1HG PRO 81 2HG PRO 81 6.579 -4.982 -4.285 653 2HG PRO 81 1HG PRO 81 5.518 -4.801 -2.885 654 1HD PRO 81 2HD PRO 81 4.791 -5.133 -5.692 655 2HD PRO 81 1HD PRO 81 3.774 -5.258 -4.241 656 H GLY 82 H GLY 82 6.975 -0.856 -5.561 657 1HA GLY 82 2HA GLY 82 7.432 -2.118 -8.229 658 2HA GLY 82 1HA GLY 82 7.478 -0.360 -8.021 659 H GLU 83 H GLU 83 9.794 -1.773 -8.911 660 HA GLU 83 HA GLU 83 11.570 -2.575 -6.853 661 1HB GLU 83 2HB GLU 83 13.315 -2.050 -8.521 662 2HB GLU 83 1HB GLU 83 11.957 -2.922 -9.231 663 1HG GLU 83 2HG GLU 83 11.165 -0.298 -9.516 664 2HG GLU 83 1HG GLU 83 12.909 -0.184 -9.756 665 H SER 84 H SER 84 10.496 0.639 -7.729 666 HA SER 84 HA SER 84 12.623 2.247 -6.786 667 1HB SER 84 2HB SER 84 9.687 2.425 -7.120 668 2HB SER 84 1HB SER 84 10.366 3.571 -5.968 669 HG SER 84 HG SER 84 10.312 4.232 -8.249 670 H LEU 85 H LEU 85 10.123 0.474 -5.041 671 HA LEU 85 HA LEU 85 10.933 1.475 -2.397 672 1HB LEU 85 2HB LEU 85 8.665 0.384 -3.560 673 2HB LEU 85 1HB LEU 85 9.286 -0.964 -2.614 674 HG LEU 85 HG LEU 85 8.736 1.820 -1.563 675 1HD1 LEU 85 1HD1 LEU 85 7.277 -0.351 -0.316 676 2HD1 LEU 85 2HD1 LEU 85 6.958 -0.296 -2.051 677 3HD1 LEU 85 3HD1 LEU 85 6.660 1.127 -1.054 678 1HD2 LEU 85 1HD2 LEU 85 10.285 1.181 -0.020 679 2HD2 LEU 85 2HD2 LEU 85 10.198 -0.513 -0.503 680 3HD2 LEU 85 3HD2 LEU 85 8.994 0.152 0.600 681 H LYS 86 H LYS 86 11.658 -1.225 -4.511 682 HA LYS 86 HA LYS 86 12.925 -2.794 -2.382 683 1HB LYS 86 2HB LYS 86 12.858 -3.086 -5.404 684 2HB LYS 86 1HB LYS 86 13.434 -4.319 -4.283 685 1HG LYS 86 2HG LYS 86 11.303 -4.798 -3.497 686 2HG LYS 86 1HG LYS 86 10.682 -3.197 -3.900 687 1HD LYS 86 2HD LYS 86 10.181 -3.787 -6.043 688 2HD LYS 86 1HD LYS 86 11.619 -4.794 -6.206 689 1HE LYS 86 2HE LYS 86 10.574 -6.619 -5.016 690 2HE LYS 86 1HE LYS 86 9.192 -5.600 -4.567 691 1HZ LYS 86 1HZ LYS 86 8.629 -6.879 -6.515 692 2HZ LYS 86 2HZ LYS 86 10.021 -6.338 -7.325 693 3HZ LYS 86 3HZ LYS 86 8.774 -5.246 -6.950 694 H LYS 87 H LYS 87 13.865 -0.570 -4.906 695 HA LYS 87 HA LYS 87 16.713 -1.112 -4.709 696 1HB LYS 87 2HB LYS 87 15.692 -0.147 -6.724 697 2HB LYS 87 1HB LYS 87 15.064 1.208 -5.785 698 1HG LYS 87 2HG LYS 87 17.446 1.801 -5.197 699 2HG LYS 87 1HG LYS 87 17.973 0.566 -6.339 700 1HD LYS 87 2HD LYS 87 15.988 2.264 -7.578 701 2HD LYS 87 1HD LYS 87 17.294 3.248 -6.917 702 1HE LYS 87 2HE LYS 87 18.081 2.692 -9.082 703 2HE LYS 87 1HE LYS 87 18.864 1.475 -8.053 704 1HZ LYS 87 1HZ LYS 87 16.964 0.004 -8.451 705 2HZ LYS 87 2HZ LYS 87 17.759 0.397 -9.899 706 3HZ LYS 87 3HZ LYS 87 16.289 1.150 -9.503 707 H ALA 88 H ALA 88 14.373 1.138 -3.313 708 HA ALA 88 HA ALA 88 16.272 2.711 -1.807 709 1HB ALA 88 1HB ALA 88 13.398 1.958 -1.155 710 2HB ALA 88 2HB ALA 88 13.838 3.232 -2.293 711 3HB ALA 88 3HB ALA 88 14.264 3.386 -0.588 712 H ALA 89 H ALA 89 14.502 -0.302 -1.347 713 HA ALA 89 HA ALA 89 15.086 -0.834 1.376 714 1HB ALA 89 1HB ALA 89 15.206 -3.273 -0.028 715 2HB ALA 89 2HB ALA 89 14.189 -2.223 -1.015 716 3HB ALA 89 3HB ALA 89 13.762 -2.535 0.666 717 H GLU 90 H GLU 90 17.011 -1.562 -1.531 718 HA GLU 90 HA GLU 90 19.195 -2.869 -0.260 719 1HB GLU 90 2HB GLU 90 19.858 -2.824 -2.437 720 2HB GLU 90 1HB GLU 90 18.499 -1.764 -2.797 721 1HG GLU 90 2HG GLU 90 19.894 0.199 -2.181 722 2HG GLU 90 1HG GLU 90 21.258 -0.882 -1.892 723 H GLY 91 H GLY 91 18.163 0.454 -0.433 724 1HA GLY 91 2HA GLY 91 20.558 1.691 0.563 725 2HA GLY 91 1HA GLY 91 18.951 2.408 0.583 726 H LEU 92 H LEU 92 17.611 0.436 2.315 727 HA LEU 92 HA LEU 92 18.528 1.466 4.858 728 1HB LEU 92 2HB LEU 92 16.476 0.705 5.505 729 2HB LEU 92 1HB LEU 92 16.235 0.454 3.784 730 HG LEU 92 HG LEU 92 17.212 -1.878 4.150 731 1HD1 LEU 92 1HD1 LEU 92 16.218 -1.737 6.941 732 2HD1 LEU 92 2HD1 LEU 92 17.764 -0.937 6.659 733 3HD1 LEU 92 3HD1 LEU 92 17.573 -2.647 6.280 734 1HD2 LEU 92 1HD2 LEU 92 14.998 -2.719 4.962 735 2HD2 LEU 92 2HD2 LEU 92 14.853 -1.509 3.687 736 3HD2 LEU 92 3HD2 LEU 92 14.562 -1.058 5.368 737 H LYS 93 H LYS 93 18.697 -1.761 3.389 738 HA LYS 93 HA LYS 93 21.229 -2.570 4.085 739 1HB LYS 93 2HB LYS 93 20.899 -2.122 6.425 740 2HB LYS 93 1HB LYS 93 19.319 -2.899 6.421 741 1HG LYS 93 2HG LYS 93 20.219 -4.967 6.736 742 2HG LYS 93 1HG LYS 93 21.440 -4.707 5.493 743 1HD LYS 93 2HD LYS 93 22.956 -4.549 7.158 744 2HD LYS 93 1HD LYS 93 22.218 -3.004 7.580 745 1HE LYS 93 2HE LYS 93 21.150 -5.641 8.627 746 2HE LYS 93 1HE LYS 93 22.366 -4.687 9.495 747 1HZ LYS 93 1HZ LYS 93 20.936 -2.915 9.750 748 2HZ LYS 93 2HZ LYS 93 19.867 -4.223 9.923 749 3HZ LYS 93 3HZ LYS 93 19.943 -3.373 8.453 750 H TYR 94 H TYR 94 19.672 -3.323 2.032 751 HA TYR 94 HA TYR 94 18.025 -5.611 2.376 752 1HB TYR 94 2HB TYR 94 18.183 -4.472 0.247 753 2HB TYR 94 1HB TYR 94 19.930 -4.662 0.211 754 HD1 TYR 94 HD1 TYR 94 16.696 -6.224 -0.551 755 HD2 TYR 94 HD2 TYR 94 20.924 -6.958 -0.177 756 HE1 TYR 94 HE1 TYR 94 16.494 -8.237 -1.945 757 HE2 TYR 94 HE2 TYR 94 20.705 -8.973 -1.565 758 HH TYR 94 HH TYR 94 19.008 -9.665 -3.482 759 H GLU 95 H GLU 95 21.513 -5.697 1.451 760 HA GLU 95 HA GLU 95 22.616 -7.982 1.812 761 1HB GLU 95 2HB GLU 95 22.723 -5.704 3.736 762 2HB GLU 95 1HB GLU 95 23.341 -7.238 4.349 763 1HG GLU 95 2HG GLU 95 25.101 -7.287 2.857 764 2HG GLU 95 1HG GLU 95 24.219 -6.385 1.626 765 H ASP 96 H ASP 96 19.909 -8.177 1.889 766 HA ASP 96 HA ASP 96 17.970 -8.769 3.173 767 1HB ASP 96 2HB ASP 96 18.964 -11.360 3.847 768 2HB ASP 96 1HB ASP 96 17.860 -10.927 2.576 769 H PHE 97 H PHE 97 19.695 -7.318 4.963 770 HA PHE 97 HA PHE 97 20.598 -7.665 7.208 771 1HB PHE 97 2HB PHE 97 17.912 -9.102 7.203 772 2HB PHE 97 1HB PHE 97 18.715 -8.468 8.631 773 HD1 PHE 97 HD1 PHE 97 19.253 -5.851 8.484 774 HD2 PHE 97 HD2 PHE 97 16.217 -7.905 6.256 775 HE1 PHE 97 HE1 PHE 97 18.014 -3.715 8.211 776 HE2 PHE 97 HE2 PHE 97 14.977 -5.773 5.980 777 HZ PHE 97 HZ PHE 97 15.874 -3.683 6.956 778 H ALA 98 H ALA 98 20.670 -9.293 4.790 779 HA ALA 98 HA ALA 98 20.370 -12.041 4.834 780 1HB ALA 98 1HB ALA 98 21.123 -10.253 3.128 781 2HB ALA 98 2HB ALA 98 21.773 -11.870 2.949 782 3HB ALA 98 3HB ALA 98 22.745 -10.593 3.676 783 H LYS 99 H LYS 99 22.647 -9.959 6.345 784 HA LYS 99 HA LYS 99 24.894 -11.550 6.925 785 1HB LYS 99 2HB LYS 99 23.815 -9.101 7.686 786 2HB LYS 99 1HB LYS 99 23.934 -9.980 9.210 787 1HG LYS 99 2HG LYS 99 26.125 -9.457 9.245 788 2HG LYS 99 1HG LYS 99 26.338 -10.539 7.869 789 1HD LYS 99 2HD LYS 99 25.436 -8.400 6.538 790 2HD LYS 99 1HD LYS 99 26.130 -7.562 7.925 791 1HE LYS 99 2HE LYS 99 27.686 -9.660 6.389 792 2HE LYS 99 1HE LYS 99 27.730 -7.940 5.958 793 1HZ LYS 99 1HZ LYS 99 28.308 -9.059 8.650 794 2HZ LYS 99 2HZ LYS 99 28.339 -7.412 8.233 795 3HZ LYS 99 3HZ LYS 99 29.472 -8.485 7.559 796 1H MET 1 1H MET 1 -4.451 6.997 -12.114 797 2H MET 1 2H MET 1 -5.955 7.305 -11.388 798 3H MET 1 3H MET 1 -4.888 6.180 -10.693 799 HA MET 1 HA MET 1 -4.399 9.109 -10.914 800 1HB MET 1 2HB MET 1 -5.693 7.285 -8.986 801 2HB MET 1 1HB MET 1 -4.510 8.380 -8.269 802 1HG MET 1 2HG MET 1 -5.687 10.290 -8.920 803 2HG MET 1 1HG MET 1 -6.555 9.443 -10.201 804 1HE MET 1 1HE MET 1 -7.011 10.413 -6.154 805 2HE MET 1 2HE MET 1 -5.594 9.548 -6.744 806 3HE MET 1 3HE MET 1 -6.809 8.692 -5.798 807 H ASN 2 H ASN 2 -2.328 9.734 -10.053 808 HA ASN 2 HA ASN 2 -0.573 7.572 -9.077 809 1HB ASN 2 2HB ASN 2 0.188 9.371 -11.395 810 2HB ASN 2 1HB ASN 2 1.112 8.005 -10.777 811 1HD2 ASN 2 1HD2 ASN 2 -1.698 8.910 -12.718 812 2HD2 ASN 2 2HD2 ASN 2 -2.009 7.355 -13.322 813 H LYS 3 H LYS 3 1.847 9.146 -9.327 814 HA LYS 3 HA LYS 3 1.762 10.669 -6.915 815 1HB LYS 3 2HB LYS 3 3.623 10.181 -9.182 816 2HB LYS 3 1HB LYS 3 3.941 11.630 -8.229 817 1HG LYS 3 2HG LYS 3 3.327 9.313 -6.546 818 2HG LYS 3 1HG LYS 3 4.735 9.042 -7.570 819 1HD LYS 3 2HD LYS 3 5.201 11.596 -6.689 820 2HD LYS 3 1HD LYS 3 4.397 10.887 -5.290 821 1HE LYS 3 2HE LYS 3 6.653 10.325 -4.873 822 2HE LYS 3 1HE LYS 3 6.092 8.878 -5.729 823 1HZ LYS 3 1HZ LYS 3 6.706 10.137 -7.832 824 2HZ LYS 3 2HZ LYS 3 7.992 9.551 -6.891 825 3HZ LYS 3 3HZ LYS 3 7.569 11.194 -6.827 826 H THR 4 H THR 4 0.224 11.440 -9.746 827 HA THR 4 HA THR 4 0.565 14.390 -9.364 828 HB THR 4 HB THR 4 -0.051 12.611 -11.734 829 HG1 THR 4 HG1 THR 4 1.739 13.720 -12.571 830 1HG2 THR 4 1HG2 THR 4 -1.626 14.322 -12.079 831 2HG2 THR 4 2HG2 THR 4 -0.212 14.899 -12.961 832 3HG2 THR 4 3HG2 THR 4 -0.585 15.553 -11.366 833 H GLU 5 H GLU 5 -1.844 12.113 -10.683 834 HA GLU 5 HA GLU 5 -4.148 13.650 -10.204 835 1HB GLU 5 2HB GLU 5 -3.844 10.644 -9.966 836 2HB GLU 5 1HB GLU 5 -5.326 11.511 -10.352 837 1HG GLU 5 2HG GLU 5 -2.813 11.484 -12.055 838 2HG GLU 5 1HG GLU 5 -4.295 10.595 -12.395 839 H LEU 6 H LEU 6 -2.590 11.226 -8.075 840 HA LEU 6 HA LEU 6 -4.352 11.515 -5.852 841 1HB LEU 6 2HB LEU 6 -1.405 10.878 -6.130 842 2HB LEU 6 1HB LEU 6 -2.236 10.802 -4.578 843 HG LEU 6 HG LEU 6 -3.534 9.411 -6.871 844 1HD1 LEU 6 1HD1 LEU 6 -1.674 8.216 -7.358 845 2HD1 LEU 6 2HD1 LEU 6 -1.893 7.453 -5.784 846 3HD1 LEU 6 3HD1 LEU 6 -0.811 8.835 -5.951 847 1HD2 LEU 6 1HD2 LEU 6 -3.365 9.254 -3.903 848 2HD2 LEU 6 2HD2 LEU 6 -3.586 7.726 -4.757 849 3HD2 LEU 6 3HD2 LEU 6 -4.757 9.030 -4.964 850 H ILE 7 H ILE 7 -1.628 13.616 -6.892 851 HA ILE 7 HA ILE 7 -1.469 15.117 -4.458 852 HB ILE 7 HB ILE 7 -0.185 16.654 -5.661 853 1HG1 ILE 7 2HG1 ILE 7 -0.448 16.589 -8.329 854 2HG1 ILE 7 1HG1 ILE 7 -2.091 16.169 -7.877 855 1HG2 ILE 7 1HG2 ILE 7 1.244 15.414 -7.146 856 2HG2 ILE 7 2HG2 ILE 7 -0.019 14.217 -7.422 857 3HG2 ILE 7 3HG2 ILE 7 0.732 14.357 -5.834 858 1HD1 ILE 7 1HD1 ILE 7 -0.551 18.665 -7.231 859 2HD1 ILE 7 2HD1 ILE 7 -1.914 18.172 -6.227 860 3HD1 ILE 7 3HD1 ILE 7 -2.158 18.513 -7.940 861 H LYS 8 H LYS 8 -3.478 15.462 -7.348 862 HA LYS 8 HA LYS 8 -4.896 17.780 -6.345 863 1HB LYS 8 2HB LYS 8 -5.812 17.726 -8.450 864 2HB LYS 8 1HB LYS 8 -4.577 16.512 -8.762 865 1HG LYS 8 2HG LYS 8 -6.359 14.830 -7.828 866 2HG LYS 8 1HG LYS 8 -7.504 16.122 -8.182 867 1HD LYS 8 2HD LYS 8 -7.375 15.760 -10.411 868 2HD LYS 8 1HD LYS 8 -5.614 15.660 -10.372 869 1HE LYS 8 2HE LYS 8 -5.976 13.444 -10.844 870 2HE LYS 8 1HE LYS 8 -6.324 13.317 -9.109 871 1HZ LYS 8 1HZ LYS 8 -8.137 12.513 -10.647 872 2HZ LYS 8 2HZ LYS 8 -8.370 14.136 -11.092 873 3HZ LYS 8 3HZ LYS 8 -8.610 13.650 -9.481 874 H ALA 9 H ALA 9 -5.179 14.312 -5.998 875 HA ALA 9 HA ALA 9 -7.886 14.136 -5.084 876 1HB ALA 9 1HB ALA 9 -7.180 11.976 -4.356 877 2HB ALA 9 2HB ALA 9 -5.525 12.526 -4.100 878 3HB ALA 9 3HB ALA 9 -6.148 12.340 -5.739 879 H ILE 10 H ILE 10 -4.817 14.918 -3.479 880 HA ILE 10 HA ILE 10 -6.199 15.249 -0.888 881 HB ILE 10 HB ILE 10 -3.667 14.370 -1.821 882 1HG1 ILE 10 2HG1 ILE 10 -3.198 14.243 0.691 883 2HG1 ILE 10 1HG1 ILE 10 -4.779 14.992 0.913 884 1HG2 ILE 10 1HG2 ILE 10 -2.925 16.709 -1.932 885 2HG2 ILE 10 2HG2 ILE 10 -2.099 15.861 -0.626 886 3HG2 ILE 10 3HG2 ILE 10 -3.428 16.958 -0.261 887 1HD1 ILE 10 1HD1 ILE 10 -4.174 12.236 0.373 888 2HD1 ILE 10 2HD1 ILE 10 -5.120 12.886 -0.966 889 3HD1 ILE 10 3HD1 ILE 10 -5.747 12.975 0.680 890 H ALA 11 H ALA 11 -4.539 16.979 -3.489 891 HA ALA 11 HA ALA 11 -4.344 19.564 -2.306 892 1HB ALA 11 1HB ALA 11 -4.332 20.291 -4.656 893 2HB ALA 11 2HB ALA 11 -5.002 18.737 -5.138 894 3HB ALA 11 3HB ALA 11 -3.378 18.822 -4.459 895 H GLN 12 H GLN 12 -7.064 17.733 -3.487 896 HA GLN 12 HA GLN 12 -8.865 20.083 -3.385 897 1HB GLN 12 2HB GLN 12 -9.105 17.168 -4.192 898 2HB GLN 12 1HB GLN 12 -10.514 18.225 -4.107 899 1HG GLN 12 2HG GLN 12 -8.064 19.001 -5.688 900 2HG GLN 12 1HG GLN 12 -9.337 18.006 -6.395 901 1HE2 GLN 12 1HE2 GLN 12 -8.655 21.225 -5.031 902 2HE2 GLN 12 2HE2 GLN 12 -10.044 21.970 -5.660 903 H ASP 13 H ASP 13 -8.436 16.885 -1.826 904 HA ASP 13 HA ASP 13 -10.496 17.247 0.158 905 1HB ASP 13 2HB ASP 13 -7.868 15.713 0.154 906 2HB ASP 13 1HB ASP 13 -9.151 15.485 1.344 907 H THR 14 H THR 14 -7.285 18.447 -0.306 908 HA THR 14 HA THR 14 -7.066 19.578 2.420 909 HB THR 14 HB THR 14 -4.842 20.346 1.355 910 HG1 THR 14 HG1 THR 14 -4.395 19.021 -0.550 911 1HG2 THR 14 1HG2 THR 14 -4.867 17.433 0.995 912 2HG2 THR 14 2HG2 THR 14 -5.556 17.977 2.522 913 3HG2 THR 14 3HG2 THR 14 -3.904 18.420 2.092 914 H GLY 15 H GLY 15 -6.184 20.977 -0.723 915 1HA GLY 15 2HA GLY 15 -6.731 23.058 -1.685 916 2HA GLY 15 1HA GLY 15 -8.296 22.910 -0.883 917 H LEU 16 H LEU 16 -5.780 22.672 1.340 918 HA LEU 16 HA LEU 16 -6.435 25.203 2.625 919 1HB LEU 16 2HB LEU 16 -4.109 23.292 3.053 920 2HB LEU 16 1HB LEU 16 -4.676 24.504 4.199 921 HG LEU 16 HG LEU 16 -6.973 23.104 3.671 922 1HD1 LEU 16 1HD1 LEU 16 -5.314 21.490 2.444 923 2HD1 LEU 16 2HD1 LEU 16 -6.538 20.811 3.505 924 3HD1 LEU 16 3HD1 LEU 16 -4.883 20.987 4.071 925 1HD2 LEU 16 1HD2 LEU 16 -5.019 23.344 5.832 926 2HD2 LEU 16 2HD2 LEU 16 -5.832 21.780 5.859 927 3HD2 LEU 16 3HD2 LEU 16 -6.778 23.266 5.928 928 H THR 17 H THR 17 -3.430 23.897 1.328 929 HA THR 17 HA THR 17 -2.745 26.539 0.179 930 HB THR 17 HB THR 17 -1.872 25.730 2.631 931 HG1 THR 17 HG1 THR 17 -0.365 27.186 0.721 932 1HG2 THR 17 1HG2 THR 17 0.169 24.780 0.604 933 2HG2 THR 17 2HG2 THR 17 -0.656 23.812 1.824 934 3HG2 THR 17 3HG2 THR 17 0.513 25.031 2.306 935 H GLN 18 H GLN 18 -3.139 23.292 -0.289 936 HA GLN 18 HA GLN 18 -2.329 21.778 -1.911 937 1HB GLN 18 2HB GLN 18 -0.957 24.179 -3.153 938 2HB GLN 18 1HB GLN 18 -1.651 22.779 -3.969 939 1HG GLN 18 2HG GLN 18 -3.872 23.676 -2.767 940 2HG GLN 18 1HG GLN 18 -3.002 25.207 -2.890 941 1HE2 GLN 18 1HE2 GLN 18 -5.002 23.056 -4.625 942 2HE2 GLN 18 2HE2 GLN 18 -4.726 23.676 -6.181 943 H VAL 19 H VAL 19 -0.859 22.743 0.521 944 HA VAL 19 HA VAL 19 1.548 23.141 1.106 945 HB VAL 19 HB VAL 19 0.455 21.458 2.372 946 1HG1 VAL 19 1HG1 VAL 19 -0.791 19.972 1.239 947 2HG1 VAL 19 2HG1 VAL 19 0.680 19.014 1.092 948 3HG1 VAL 19 3HG1 VAL 19 0.209 20.116 -0.200 949 1HG2 VAL 19 1HG2 VAL 19 2.135 19.726 2.761 950 2HG2 VAL 19 2HG2 VAL 19 2.904 21.294 2.544 951 3HG2 VAL 19 3HG2 VAL 19 2.917 20.120 1.238 952 H SER 20 H SER 20 2.066 20.063 -0.285 953 HA SER 20 HA SER 20 3.610 21.201 -2.514 954 1HB SER 20 2HB SER 20 5.090 19.053 -1.851 955 2HB SER 20 1HB SER 20 5.411 20.639 -1.163 956 HG SER 20 HG SER 20 5.255 19.242 0.513 957 H VAL 21 H VAL 21 0.910 19.841 -1.927 958 HA VAL 21 HA VAL 21 0.239 17.404 -2.437 959 HB VAL 21 HB VAL 21 -1.184 18.159 -4.368 960 1HG1 VAL 21 1HG1 VAL 21 -1.884 18.567 -2.048 961 2HG1 VAL 21 2HG1 VAL 21 -2.375 19.902 -3.090 962 3HG1 VAL 21 3HG1 VAL 21 -0.975 20.077 -2.036 963 1HG2 VAL 21 1HG2 VAL 21 0.357 19.634 -5.510 964 2HG2 VAL 21 2HG2 VAL 21 0.523 20.643 -4.074 965 3HG2 VAL 21 3HG2 VAL 21 -1.004 20.606 -4.954 966 H SER 22 H SER 22 2.144 19.249 -4.674 967 HA SER 22 HA SER 22 2.583 17.015 -6.549 968 1HB SER 22 2HB SER 22 4.050 19.655 -6.223 969 2HB SER 22 1HB SER 22 4.025 18.643 -7.664 970 HG SER 22 HG SER 22 2.264 20.510 -6.847 971 H LYS 23 H LYS 23 4.476 18.720 -4.045 972 HA LYS 23 HA LYS 23 6.557 16.611 -4.212 973 1HB LYS 23 2HB LYS 23 6.371 19.308 -2.847 974 2HB LYS 23 1HB LYS 23 7.743 18.223 -2.645 975 1HG LYS 23 2HG LYS 23 8.439 18.476 -4.846 976 2HG LYS 23 1HG LYS 23 6.824 18.898 -5.417 977 1HD LYS 23 2HD LYS 23 8.557 20.657 -3.657 978 2HD LYS 23 1HD LYS 23 8.342 20.866 -5.395 979 1HE LYS 23 2HE LYS 23 5.727 20.735 -4.514 980 2HE LYS 23 1HE LYS 23 6.530 21.610 -3.196 981 1HZ LYS 23 1HZ LYS 23 6.811 22.232 -6.090 982 2HZ LYS 23 2HZ LYS 23 7.559 23.068 -4.815 983 3HZ LYS 23 3HZ LYS 23 5.869 23.116 -4.992 984 H MET 24 H MET 24 3.727 17.431 -2.323 985 HA MET 24 HA MET 24 4.580 16.294 0.162 986 1HB MET 24 2HB MET 24 2.772 17.969 -0.202 987 2HB MET 24 1HB MET 24 1.890 16.797 -1.165 988 1HG MET 24 2HG MET 24 2.457 15.432 1.160 989 2HG MET 24 1HG MET 24 2.106 17.062 1.717 990 1HE MET 24 1HE MET 24 -0.431 14.635 -1.129 991 2HE MET 24 2HE MET 24 1.287 14.997 -1.151 992 3HE MET 24 3HE MET 24 0.134 16.207 -1.690 993 H LEU 25 H LEU 25 3.032 15.215 -2.873 994 HA LEU 25 HA LEU 25 2.762 12.444 -1.874 995 1HB LEU 25 2HB LEU 25 2.218 13.908 -4.462 996 2HB LEU 25 1HB LEU 25 2.115 12.152 -4.374 997 HG LEU 25 HG LEU 25 0.364 14.224 -3.109 998 1HD1 LEU 25 1HD1 LEU 25 -0.254 12.930 -5.168 999 2HD1 LEU 25 2HD1 LEU 25 -1.380 12.701 -3.831 1000 3HD1 LEU 25 3HD1 LEU 25 -0.193 11.455 -4.206 1001 1HD2 LEU 25 1HD2 LEU 25 -0.513 12.395 -1.570 1002 2HD2 LEU 25 2HD2 LEU 25 1.065 13.043 -1.124 1003 3HD2 LEU 25 3HD2 LEU 25 0.951 11.485 -1.943 1004 H ALA 26 H ALA 26 4.867 14.376 -3.994 1005 HA ALA 26 HA ALA 26 6.467 12.222 -5.020 1006 1HB ALA 26 1HB ALA 26 6.367 14.751 -5.627 1007 2HB ALA 26 2HB ALA 26 7.944 13.969 -5.663 1008 3HB ALA 26 3HB ALA 26 7.489 14.968 -4.285 1009 H SER 27 H SER 27 6.449 14.069 -2.029 1010 HA SER 27 HA SER 27 8.903 12.898 -0.954 1011 1HB SER 27 2HB SER 27 6.622 14.596 0.064 1012 2HB SER 27 1HB SER 27 7.849 13.980 1.164 1013 HG SER 27 HG SER 27 9.415 15.020 -0.114 1014 H PHE 28 H PHE 28 5.425 12.335 -0.786 1015 HA PHE 28 HA PHE 28 5.246 10.462 1.328 1016 1HB PHE 28 2HB PHE 28 3.206 11.116 0.422 1017 2HB PHE 28 1HB PHE 28 3.826 11.117 -1.217 1018 HD1 PHE 28 HD1 PHE 28 1.909 9.325 1.217 1019 HD2 PHE 28 HD2 PHE 28 4.252 8.783 -2.345 1020 HE1 PHE 28 HE1 PHE 28 0.764 7.205 0.790 1021 HE2 PHE 28 HE2 PHE 28 3.115 6.654 -2.755 1022 HZ PHE 28 HZ PHE 28 1.367 5.839 -1.193 1023 H GLU 29 H GLU 29 6.066 9.928 -2.101 1024 HA GLU 29 HA GLU 29 6.546 7.108 -1.741 1025 1HB GLU 29 2HB GLU 29 6.112 8.262 -3.909 1026 2HB GLU 29 1HB GLU 29 7.673 9.080 -3.747 1027 1HG GLU 29 2HG GLU 29 7.968 6.260 -3.245 1028 2HG GLU 29 1HG GLU 29 7.197 6.532 -4.802 1029 H LYS 30 H LYS 30 8.410 10.084 -1.524 1030 HA LYS 30 HA LYS 30 10.996 8.896 -1.208 1031 1HB LYS 30 2HB LYS 30 10.445 11.313 -1.708 1032 2HB LYS 30 1HB LYS 30 9.935 11.482 -0.025 1033 1HG LYS 30 2HG LYS 30 12.085 11.231 0.804 1034 2HG LYS 30 1HG LYS 30 12.624 10.300 -0.594 1035 1HD LYS 30 2HD LYS 30 11.895 13.236 -0.755 1036 2HD LYS 30 1HD LYS 30 13.541 12.666 -0.470 1037 1HE LYS 30 2HE LYS 30 13.352 11.300 -2.594 1038 2HE LYS 30 1HE LYS 30 11.816 12.131 -2.910 1039 1HZ LYS 30 1HZ LYS 30 14.400 13.494 -2.365 1040 2HZ LYS 30 2HZ LYS 30 12.927 14.245 -2.756 1041 3HZ LYS 30 3HZ LYS 30 13.731 13.290 -3.909 1042 H ILE 31 H ILE 31 8.232 9.215 0.910 1043 HA ILE 31 HA ILE 31 9.956 8.353 3.182 1044 HB ILE 31 HB ILE 31 7.718 8.844 4.417 1045 1HG1 ILE 31 2HG1 ILE 31 7.153 11.108 2.800 1046 2HG1 ILE 31 1HG1 ILE 31 7.013 9.656 1.815 1047 1HG2 ILE 31 1HG2 ILE 31 9.296 11.183 3.381 1048 2HG2 ILE 31 2HG2 ILE 31 10.006 10.002 4.482 1049 3HG2 ILE 31 3HG2 ILE 31 8.612 10.957 4.991 1050 1HD1 ILE 31 1HD1 ILE 31 5.364 8.728 3.130 1051 2HD1 ILE 31 2HD1 ILE 31 4.982 10.442 3.301 1052 3HD1 ILE 31 3HD1 ILE 31 5.880 9.607 4.569 1053 H ILE 32 H ILE 32 7.343 7.452 1.111 1054 HA ILE 32 HA ILE 32 6.552 5.089 2.598 1055 HB ILE 32 HB ILE 32 6.295 5.792 -0.354 1056 1HG1 ILE 32 2HG1 ILE 32 5.131 7.068 1.862 1057 2HG1 ILE 32 1HG1 ILE 32 4.556 7.152 0.198 1058 1HG2 ILE 32 1HG2 ILE 32 4.907 3.734 1.399 1059 2HG2 ILE 32 2HG2 ILE 32 5.989 3.416 0.045 1060 3HG2 ILE 32 3HG2 ILE 32 4.406 4.141 -0.243 1061 1HD1 ILE 32 1HD1 ILE 32 3.065 5.294 0.547 1062 2HD1 ILE 32 2HD1 ILE 32 2.801 6.456 1.848 1063 3HD1 ILE 32 3HD1 ILE 32 3.737 4.995 2.149 1064 H THR 33 H THR 33 8.309 5.563 -0.448 1065 HA THR 33 HA THR 33 9.348 2.906 -0.459 1066 HB THR 33 HB THR 33 9.284 5.260 -2.109 1067 HG1 THR 33 HG1 THR 33 9.691 3.679 -3.705 1068 1HG2 THR 33 1HG2 THR 33 11.993 3.938 -1.862 1069 2HG2 THR 33 2HG2 THR 33 11.612 5.624 -1.514 1070 3HG2 THR 33 3HG2 THR 33 11.519 5.022 -3.169 1071 H GLU 34 H GLU 34 10.541 6.052 0.715 1072 HA GLU 34 HA GLU 34 13.188 5.042 1.326 1073 1HB GLU 34 2HB GLU 34 11.544 7.448 2.080 1074 2HB GLU 34 1HB GLU 34 13.228 7.261 2.563 1075 1HG GLU 34 2HG GLU 34 12.253 7.129 -0.319 1076 2HG GLU 34 1HG GLU 34 12.989 8.557 0.412 1077 H THR 35 H THR 35 10.169 5.466 3.344 1078 HA THR 35 HA THR 35 11.519 4.856 5.824 1079 HB THR 35 HB THR 35 8.646 4.393 4.972 1080 HG1 THR 35 HG1 THR 35 8.551 6.459 5.265 1081 1HG2 THR 35 1HG2 THR 35 9.425 2.989 6.917 1082 2HG2 THR 35 2HG2 THR 35 8.169 4.147 7.349 1083 3HG2 THR 35 3HG2 THR 35 9.852 4.480 7.756 1084 H VAL 36 H VAL 36 9.669 2.696 3.631 1085 HA VAL 36 HA VAL 36 10.202 0.297 5.059 1086 HB VAL 36 HB VAL 36 9.724 1.103 2.201 1087 1HG1 VAL 36 1HG1 VAL 36 9.662 -1.559 1.897 1088 2HG1 VAL 36 2HG1 VAL 36 10.927 -1.466 3.123 1089 3HG1 VAL 36 3HG1 VAL 36 11.124 -0.622 1.588 1090 1HG2 VAL 36 1HG2 VAL 36 8.066 0.585 4.238 1091 2HG2 VAL 36 2HG2 VAL 36 8.267 -1.062 3.640 1092 3HG2 VAL 36 3HG2 VAL 36 7.643 0.195 2.572 1093 H ALA 37 H ALA 37 12.126 2.196 2.796 1094 HA ALA 37 HA ALA 37 14.426 0.350 3.093 1095 1HB ALA 37 1HB ALA 37 14.084 1.021 0.888 1096 2HB ALA 37 2HB ALA 37 15.345 2.127 1.439 1097 3HB ALA 37 3HB ALA 37 13.674 2.670 1.347 1098 H LYS 38 H LYS 38 13.145 2.529 5.032 1099 HA LYS 38 HA LYS 38 15.730 3.893 5.726 1100 1HB LYS 38 2HB LYS 38 13.434 5.140 5.332 1101 2HB LYS 38 1HB LYS 38 13.036 4.514 6.929 1102 1HG LYS 38 2HG LYS 38 13.983 6.629 7.377 1103 2HG LYS 38 1HG LYS 38 15.311 5.504 7.662 1104 1HD LYS 38 2HD LYS 38 16.104 7.387 6.315 1105 2HD LYS 38 1HD LYS 38 16.123 5.912 5.347 1106 1HE LYS 38 2HE LYS 38 14.817 6.957 3.819 1107 2HE LYS 38 1HE LYS 38 13.534 7.070 5.039 1108 1HZ LYS 38 1HZ LYS 38 15.787 8.969 4.658 1109 2HZ LYS 38 2HZ LYS 38 14.682 9.035 5.947 1110 3HZ LYS 38 3HZ LYS 38 14.147 9.277 4.353 1111 H GLY 39 H GLY 39 13.105 1.839 6.768 1112 1HA GLY 39 2HA GLY 39 14.028 -0.029 8.210 1113 2HA GLY 39 1HA GLY 39 14.615 1.267 9.247 1114 H ASP 40 H ASP 40 11.430 1.142 7.602 1115 HA ASP 40 HA ASP 40 10.168 0.608 10.250 1116 1HB ASP 40 2HB ASP 40 10.510 3.193 9.022 1117 2HB ASP 40 1HB ASP 40 8.790 2.817 9.128 1118 H LYS 41 H LYS 41 8.070 -0.209 10.085 1119 HA LYS 41 HA LYS 41 7.246 -1.198 7.419 1120 1HB LYS 41 2HB LYS 41 6.333 -1.681 10.278 1121 2HB LYS 41 1HB LYS 41 5.628 -2.487 8.876 1122 1HG LYS 41 2HG LYS 41 7.821 -3.430 8.294 1123 2HG LYS 41 1HG LYS 41 8.555 -2.599 9.664 1124 1HD LYS 41 2HD LYS 41 7.286 -3.892 11.239 1125 2HD LYS 41 1HD LYS 41 6.273 -4.564 9.961 1126 1HE LYS 41 2HE LYS 41 8.008 -5.945 9.142 1127 2HE LYS 41 1HE LYS 41 9.266 -4.994 9.955 1128 1HZ LYS 41 1HZ LYS 41 7.199 -6.705 11.223 1129 2HZ LYS 41 2HZ LYS 41 8.154 -5.599 12.091 1130 3HZ LYS 41 3HZ LYS 41 8.881 -6.907 11.287 1131 H VAL 42 H VAL 42 6.373 0.653 6.446 1132 HA VAL 42 HA VAL 42 4.733 2.628 7.656 1133 HB VAL 42 HB VAL 42 4.740 1.552 4.817 1134 1HG1 VAL 42 1HG1 VAL 42 2.913 2.986 4.833 1135 2HG1 VAL 42 2HG1 VAL 42 4.211 4.130 4.490 1136 3HG1 VAL 42 3HG1 VAL 42 3.576 3.980 6.128 1137 1HG2 VAL 42 1HG2 VAL 42 6.255 3.732 4.665 1138 2HG2 VAL 42 2HG2 VAL 42 6.950 2.182 5.140 1139 3HG2 VAL 42 3HG2 VAL 42 6.538 3.377 6.370 1140 H GLN 43 H GLN 43 2.695 2.479 8.481 1141 HA GLN 43 HA GLN 43 0.894 0.316 7.433 1142 1HB GLN 43 2HB GLN 43 -0.113 0.546 9.812 1143 2HB GLN 43 1HB GLN 43 1.446 -0.263 9.669 1144 1HG GLN 43 2HG GLN 43 2.615 1.753 10.334 1145 2HG GLN 43 1HG GLN 43 1.114 2.678 10.316 1146 1HE2 GLN 43 1HE2 GLN 43 2.934 2.144 12.650 1147 2HE2 GLN 43 2HE2 GLN 43 1.964 1.379 13.813 1148 H LEU 44 H LEU 44 -0.214 1.619 5.945 1149 HA LEU 44 HA LEU 44 -1.076 4.312 6.416 1150 1HB LEU 44 2HB LEU 44 -1.607 2.073 4.526 1151 2HB LEU 44 1HB LEU 44 -2.775 3.384 4.554 1152 HG LEU 44 HG LEU 44 0.202 3.833 4.281 1153 1HD1 LEU 44 1HD1 LEU 44 -0.327 2.694 2.285 1154 2HD1 LEU 44 2HD1 LEU 44 -0.552 4.385 1.846 1155 3HD1 LEU 44 3HD1 LEU 44 -1.949 3.379 2.216 1156 1HD2 LEU 44 1HD2 LEU 44 -2.289 5.517 4.098 1157 2HD2 LEU 44 2HD2 LEU 44 -0.802 6.014 3.288 1158 3HD2 LEU 44 3HD2 LEU 44 -0.827 5.811 5.040 1159 H THR 45 H THR 45 -2.476 4.832 8.050 1160 HA THR 45 HA THR 45 -4.164 4.465 9.717 1161 HB THR 45 HB THR 45 -5.381 5.775 8.253 1162 HG1 THR 45 HG1 THR 45 -7.345 4.705 7.802 1163 1HG2 THR 45 1HG2 THR 45 -4.276 5.164 6.197 1164 2HG2 THR 45 2HG2 THR 45 -6.009 5.004 5.929 1165 3HG2 THR 45 3HG2 THR 45 -5.026 3.573 6.211 1166 H GLY 46 H GLY 46 -5.912 2.468 7.411 1167 1HA GLY 46 2HA GLY 46 -5.191 -0.003 8.846 1168 2HA GLY 46 1HA GLY 46 -6.873 0.513 8.972 1169 H PHE 47 H PHE 47 -4.976 1.065 6.039 1170 HA PHE 47 HA PHE 47 -6.472 -1.168 4.759 1171 1HB PHE 47 2HB PHE 47 -7.401 0.207 3.143 1172 2HB PHE 47 1HB PHE 47 -7.404 1.274 4.542 1173 HD1 PHE 47 HD1 PHE 47 -5.467 2.879 4.828 1174 HD2 PHE 47 HD2 PHE 47 -6.208 0.790 1.168 1175 HE1 PHE 47 HE1 PHE 47 -4.078 4.518 3.626 1176 HE2 PHE 47 HE2 PHE 47 -4.807 2.416 -0.037 1177 HZ PHE 47 HZ PHE 47 -3.740 4.287 1.200 1178 H LEU 48 H LEU 48 -3.492 0.725 4.851 1179 HA LEU 48 HA LEU 48 -2.402 -1.247 2.895 1180 1HB LEU 48 2HB LEU 48 -2.425 1.700 2.851 1181 2HB LEU 48 1HB LEU 48 -0.919 0.932 2.350 1182 HG LEU 48 HG LEU 48 -3.676 0.554 1.175 1183 1HD1 LEU 48 1HD1 LEU 48 -1.072 1.208 -0.193 1184 2HD1 LEU 48 2HD1 LEU 48 -2.133 2.454 0.463 1185 3HD1 LEU 48 3HD1 LEU 48 -2.708 1.393 -0.823 1186 1HD2 LEU 48 1HD2 LEU 48 -2.105 -0.996 -0.393 1187 2HD2 LEU 48 2HD2 LEU 48 -3.024 -1.639 0.967 1188 3HD2 LEU 48 3HD2 LEU 48 -1.315 -1.253 1.162 1189 H ASN 49 H ASN 49 -1.146 -2.509 4.206 1190 HA ASN 49 HA ASN 49 0.732 -1.134 6.100 1191 1HB ASN 49 2HB ASN 49 -1.117 -3.117 6.503 1192 2HB ASN 49 1HB ASN 49 0.346 -4.063 6.226 1193 1HD2 ASN 49 1HD2 ASN 49 2.358 -2.689 7.426 1194 2HD2 ASN 49 2HD2 ASN 49 2.034 -2.404 9.067 1195 H ILE 50 H ILE 50 2.350 -0.706 4.434 1196 HA ILE 50 HA ILE 50 3.459 -2.840 2.776 1197 HB ILE 50 HB ILE 50 4.432 -0.073 3.557 1198 1HG1 ILE 50 2HG1 ILE 50 2.190 -0.837 2.059 1199 2HG1 ILE 50 1HG1 ILE 50 2.936 0.758 2.085 1200 1HG2 ILE 50 1HG2 ILE 50 5.303 -1.942 1.334 1201 2HG2 ILE 50 2HG2 ILE 50 6.278 -1.398 2.700 1202 3HG2 ILE 50 3HG2 ILE 50 5.782 -0.249 1.457 1203 1HD1 ILE 50 1HD1 ILE 50 3.861 -1.455 0.237 1204 2HD1 ILE 50 2HD1 ILE 50 4.280 0.255 0.163 1205 3HD1 ILE 50 3HD1 ILE 50 2.642 -0.269 -0.218 1206 H LYS 51 H LYS 51 5.518 -3.919 3.099 1207 HA LYS 51 HA LYS 51 7.123 -3.238 5.475 1208 1HB LYS 51 2HB LYS 51 6.753 -5.589 6.429 1209 2HB LYS 51 1HB LYS 51 5.396 -4.474 6.581 1210 1HG LYS 51 2HG LYS 51 4.205 -5.505 4.811 1211 2HG LYS 51 1HG LYS 51 5.639 -6.349 4.229 1212 1HD LYS 51 2HD LYS 51 4.743 -6.892 7.026 1213 2HD LYS 51 1HD LYS 51 3.811 -7.602 5.708 1214 1HE LYS 51 2HE LYS 51 6.548 -8.007 5.054 1215 2HE LYS 51 1HE LYS 51 6.350 -8.471 6.756 1216 1HZ LYS 51 1HZ LYS 51 4.467 -9.813 6.186 1217 2HZ LYS 51 2HZ LYS 51 5.761 -10.273 5.187 1218 3HZ LYS 51 3HZ LYS 51 4.515 -9.297 4.570 1219 HA PRO 52 HA PRO 52 9.894 -5.046 2.482 1220 1HB PRO 52 2HB PRO 52 12.213 -4.554 3.830 1221 2HB PRO 52 1HB PRO 52 11.331 -3.302 2.935 1222 1HG PRO 52 2HG PRO 52 11.434 -3.830 5.852 1223 2HG PRO 52 1HG PRO 52 11.330 -2.292 4.984 1224 1HD PRO 52 2HD PRO 52 9.205 -3.540 6.215 1225 2HD PRO 52 1HD PRO 52 9.056 -2.358 4.896 1226 H VAL 53 H VAL 53 10.975 -7.012 2.292 1227 HA VAL 53 HA VAL 53 11.562 -8.602 4.731 1228 HB VAL 53 HB VAL 53 10.224 -10.478 3.811 1229 1HG1 VAL 53 1HG1 VAL 53 8.479 -8.015 3.849 1230 2HG1 VAL 53 2HG1 VAL 53 9.273 -8.591 5.315 1231 3HG1 VAL 53 3HG1 VAL 53 8.118 -9.624 4.475 1232 1HG2 VAL 53 1HG2 VAL 53 10.286 -10.068 1.456 1233 2HG2 VAL 53 2HG2 VAL 53 9.668 -8.429 1.652 1234 3HG2 VAL 53 3HG2 VAL 53 8.606 -9.809 1.926 1235 H ALA 54 H ALA 54 13.592 -9.486 4.440 1236 HA ALA 54 HA ALA 54 14.890 -9.341 1.910 1237 1HB ALA 54 1HB ALA 54 15.674 -9.941 4.590 1238 2HB ALA 54 2HB ALA 54 16.691 -9.530 3.222 1239 3HB ALA 54 3HB ALA 54 16.305 -11.213 3.542 1240 H ARG 55 H ARG 55 14.441 -10.467 0.183 1241 HA ARG 55 HA ARG 55 14.733 -13.256 -0.137 1242 1HB ARG 55 2HB ARG 55 12.239 -13.849 -0.285 1243 2HB ARG 55 1HB ARG 55 12.867 -13.598 1.341 1244 1HG ARG 55 2HG ARG 55 11.776 -11.562 1.597 1245 2HG ARG 55 1HG ARG 55 11.728 -11.253 -0.139 1246 1HD ARG 55 2HD ARG 55 9.469 -11.819 0.711 1247 2HD ARG 55 1HD ARG 55 10.046 -13.084 -0.391 1248 HE ARG 55 HE ARG 55 10.927 -14.162 1.849 1249 1HH1 ARG 55 1HH2 ARG 55 8.224 -15.057 1.151 1250 2HH1 ARG 55 2HH2 ARG 55 7.287 -14.623 2.542 1251 1HH2 ARG 55 2HH1 ARG 55 9.653 -12.405 3.770 1252 2HH2 ARG 55 1HH1 ARG 55 8.097 -13.121 4.025 1253 H GLN 56 H GLN 56 15.583 -11.568 -1.884 1254 HA GLN 56 HA GLN 56 13.659 -11.559 -4.151 1255 1HB GLN 56 2HB GLN 56 15.341 -9.309 -3.057 1256 2HB GLN 56 1HB GLN 56 14.614 -9.255 -4.662 1257 1HG GLN 56 2HG GLN 56 12.542 -10.070 -2.939 1258 2HG GLN 56 1HG GLN 56 13.379 -8.777 -2.079 1259 1HE2 GLN 56 1HE2 GLN 56 13.513 -6.647 -3.163 1260 2HE2 GLN 56 2HE2 GLN 56 12.433 -6.249 -4.410 1261 H ALA 57 H ALA 57 14.908 -13.373 -5.056 1262 HA ALA 57 HA ALA 57 17.488 -12.466 -6.269 1263 1HB ALA 57 1HB ALA 57 18.138 -13.714 -4.379 1264 2HB ALA 57 2HB ALA 57 18.310 -14.829 -5.727 1265 3HB ALA 57 3HB ALA 57 16.913 -14.946 -4.655 1266 H ARG 58 H ARG 58 17.964 -15.103 -7.421 1267 HA ARG 58 HA ARG 58 15.606 -15.581 -9.152 1268 1HB ARG 58 2HB ARG 58 16.722 -14.741 -11.091 1269 2HB ARG 58 1HB ARG 58 16.942 -13.531 -9.831 1270 1HG ARG 58 2HG ARG 58 19.164 -14.842 -9.336 1271 2HG ARG 58 1HG ARG 58 18.964 -15.445 -10.978 1272 1HD ARG 58 2HD ARG 58 19.161 -13.310 -11.941 1273 2HD ARG 58 1HD ARG 58 18.715 -12.486 -10.435 1274 HE ARG 58 HE ARG 58 21.006 -13.791 -9.709 1275 1HH1 ARG 58 2HH1 ARG 58 20.888 -10.807 -10.249 1276 2HH1 ARG 58 1HH1 ARG 58 22.154 -10.623 -11.416 1277 1HH2 ARG 58 1HH2 ARG 58 22.336 -14.007 -12.145 1278 2HH2 ARG 58 2HH2 ARG 58 22.975 -12.434 -12.488 1279 H LYS 59 H LYS 59 17.525 -16.600 -11.228 1280 HA LYS 59 HA LYS 59 17.542 -19.322 -10.980 1281 1HB LYS 59 2HB LYS 59 19.657 -17.441 -12.064 1282 2HB LYS 59 1HB LYS 59 19.599 -19.161 -12.446 1283 1HG LYS 59 2HG LYS 59 18.063 -18.779 -14.045 1284 2HG LYS 59 1HG LYS 59 16.977 -18.074 -12.847 1285 1HD LYS 59 2HD LYS 59 19.160 -16.260 -13.551 1286 2HD LYS 59 1HD LYS 59 18.196 -16.715 -14.955 1287 1HE LYS 59 2HE LYS 59 16.393 -16.194 -12.780 1288 2HE LYS 59 1HE LYS 59 17.516 -14.827 -12.922 1289 1HZ LYS 59 1HZ LYS 59 15.666 -14.573 -14.460 1290 2HZ LYS 59 2HZ LYS 59 16.011 -16.082 -15.161 1291 3HZ LYS 59 3HZ LYS 59 17.114 -14.799 -15.312 1292 H GLY 60 H GLY 60 20.631 -19.616 -11.130 1293 1HA GLY 60 2HA GLY 60 22.373 -20.236 -9.720 1294 2HA GLY 60 1HA GLY 60 21.690 -19.136 -8.526 1295 H PHE 61 H PHE 61 22.264 -20.737 -6.965 1296 HA PHE 61 HA PHE 61 20.212 -22.251 -5.854 1297 1HB PHE 61 2HB PHE 61 20.025 -23.683 -7.727 1298 2HB PHE 61 1HB PHE 61 21.767 -23.719 -7.984 1299 HD1 PHE 61 HD1 PHE 61 19.117 -24.791 -5.526 1300 HD2 PHE 61 HD2 PHE 61 23.062 -25.498 -7.087 1301 HE1 PHE 61 HE1 PHE 61 19.250 -26.896 -4.270 1302 HE2 PHE 61 HE2 PHE 61 23.182 -27.605 -5.820 1303 HZ PHE 61 HZ PHE 61 21.281 -28.310 -4.419 1304 H ASN 62 H ASN 62 21.066 -22.207 -3.804 1305 HA ASN 62 HA ASN 62 23.867 -22.169 -3.187 1306 1HB ASN 62 2HB ASN 62 21.284 -22.193 -1.867 1307 2HB ASN 62 1HB ASN 62 22.379 -23.297 -1.039 1308 1HD2 ASN 62 1HD2 ASN 62 22.758 -21.917 0.803 1309 2HD2 ASN 62 2HD2 ASN 62 23.593 -20.443 0.676 1310 HA PRO 63 HA PRO 63 24.845 -26.470 -3.398 1311 1HB PRO 63 2HB PRO 63 26.164 -26.998 -1.049 1312 2HB PRO 63 1HB PRO 63 26.896 -26.067 -2.373 1313 1HG PRO 63 2HG PRO 63 25.630 -25.099 0.145 1314 2HG PRO 63 1HG PRO 63 27.081 -24.514 -0.685 1315 1HD PRO 63 2HD PRO 63 24.679 -23.258 -0.852 1316 2HD PRO 63 1HD PRO 63 25.879 -23.228 -2.164 1317 H GLN 64 H GLN 64 22.263 -26.392 -2.949 1318 HA GLN 64 HA GLN 64 21.778 -28.095 -0.573 1319 1HB GLN 64 2HB GLN 64 20.285 -25.733 -1.670 1320 2HB GLN 64 1HB GLN 64 19.531 -26.853 -0.532 1321 1HG GLN 64 2HG GLN 64 21.811 -26.428 0.802 1322 2HG GLN 64 1HG GLN 64 21.747 -24.906 -0.086 1323 1HE2 GLN 64 1HE2 GLN 64 21.448 -24.708 2.654 1324 2HE2 GLN 64 2HE2 GLN 64 19.831 -24.382 3.059 1325 H THR 65 H THR 65 18.974 -27.414 -2.275 1326 HA THR 65 HA THR 65 19.172 -29.540 -4.278 1327 HB THR 65 HB THR 65 17.149 -30.660 -2.926 1328 HG1 THR 65 HG1 THR 65 18.801 -29.668 -0.859 1329 1HG2 THR 65 1HG2 THR 65 19.874 -31.217 -1.821 1330 2HG2 THR 65 2HG2 THR 65 19.596 -31.459 -3.546 1331 3HG2 THR 65 3HG2 THR 65 18.633 -32.347 -2.364 1332 H GLN 66 H GLN 66 17.238 -27.227 -2.446 1333 HA GLN 66 HA GLN 66 15.561 -26.796 -4.873 1334 1HB GLN 66 2HB GLN 66 13.700 -26.447 -3.005 1335 2HB GLN 66 1HB GLN 66 14.076 -28.059 -3.605 1336 1HG GLN 66 2HG GLN 66 13.966 -27.985 -1.120 1337 2HG GLN 66 1HG GLN 66 15.562 -28.460 -1.698 1338 1HE2 GLN 66 1HE2 GLN 66 17.115 -27.488 -0.386 1339 2HE2 GLN 66 2HE2 GLN 66 17.057 -25.884 0.169 1340 H GLU 67 H GLU 67 17.755 -25.367 -2.944 1341 HA GLU 67 HA GLU 67 16.290 -22.825 -2.487 1342 1HB GLU 67 2HB GLU 67 17.853 -23.948 -0.825 1343 2HB GLU 67 1HB GLU 67 19.177 -23.565 -1.927 1344 1HG GLU 67 2HG GLU 67 19.204 -21.390 -1.309 1345 2HG GLU 67 1HG GLU 67 17.447 -21.261 -1.386 1346 H ALA 68 H ALA 68 16.026 -22.219 -4.740 1347 HA ALA 68 HA ALA 68 18.389 -21.911 -6.460 1348 1HB ALA 68 1HB ALA 68 15.694 -20.730 -7.020 1349 2HB ALA 68 2HB ALA 68 15.843 -22.485 -6.941 1350 3HB ALA 68 3HB ALA 68 16.792 -21.571 -8.113 1351 H LEU 69 H LEU 69 19.477 -19.999 -6.847 1352 HA LEU 69 HA LEU 69 18.417 -17.356 -6.394 1353 1HB LEU 69 2HB LEU 69 19.801 -16.876 -4.348 1354 2HB LEU 69 1HB LEU 69 18.525 -18.061 -4.061 1355 HG LEU 69 HG LEU 69 20.830 -19.471 -5.004 1356 1HD1 LEU 69 1HD1 LEU 69 22.187 -18.837 -2.812 1357 2HD1 LEU 69 2HD1 LEU 69 21.360 -17.292 -3.007 1358 3HD1 LEU 69 3HD1 LEU 69 22.398 -17.906 -4.294 1359 1HD2 LEU 69 1HD2 LEU 69 19.030 -20.343 -3.536 1360 2HD2 LEU 69 2HD2 LEU 69 19.575 -19.278 -2.241 1361 3HD2 LEU 69 3HD2 LEU 69 20.618 -20.580 -2.808 1362 H GLU 70 H GLU 70 19.546 -16.766 -8.350 1363 HA GLU 70 HA GLU 70 22.420 -17.377 -8.605 1364 1HB GLU 70 2HB GLU 70 20.230 -16.773 -10.290 1365 2HB GLU 70 1HB GLU 70 21.372 -15.446 -10.486 1366 1HG GLU 70 2HG GLU 70 22.609 -18.126 -10.430 1367 2HG GLU 70 1HG GLU 70 21.558 -17.830 -11.814 1368 H ILE 71 H ILE 71 20.961 -15.391 -6.598 1369 HA ILE 71 HA ILE 71 23.061 -13.389 -6.483 1370 HB ILE 71 HB ILE 71 21.700 -12.170 -7.934 1371 1HG1 ILE 71 2HG1 ILE 71 20.272 -11.872 -5.291 1372 2HG1 ILE 71 1HG1 ILE 71 21.689 -10.959 -5.815 1373 1HG2 ILE 71 1HG2 ILE 71 20.063 -14.111 -8.136 1374 2HG2 ILE 71 2HG2 ILE 71 19.347 -12.512 -8.274 1375 3HG2 ILE 71 3HG2 ILE 71 19.203 -13.416 -6.770 1376 1HD1 ILE 71 1HD1 ILE 71 19.776 -9.585 -6.215 1377 2HD1 ILE 71 2HD1 ILE 71 18.919 -10.918 -6.992 1378 3HD1 ILE 71 3HD1 ILE 71 20.317 -10.188 -7.782 1379 H ALA 72 H ALA 72 22.385 -11.955 -4.492 1380 HA ALA 72 HA ALA 72 21.573 -13.783 -2.315 1381 1HB ALA 72 1HB ALA 72 22.267 -11.645 -1.053 1382 2HB ALA 72 2HB ALA 72 22.748 -11.028 -2.634 1383 3HB ALA 72 3HB ALA 72 23.524 -12.470 -1.976 1384 HA PRO 73 HA PRO 73 17.565 -11.670 -2.949 1385 1HB PRO 73 2HB PRO 73 16.108 -13.457 -1.525 1386 2HB PRO 73 1HB PRO 73 16.483 -13.638 -3.245 1387 1HG PRO 73 2HG PRO 73 17.802 -14.902 -0.881 1388 2HG PRO 73 1HG PRO 73 17.391 -15.622 -2.448 1389 1HD PRO 73 2HD PRO 73 19.903 -14.838 -1.863 1390 2HD PRO 73 1HD PRO 73 19.238 -14.716 -3.504 1391 H SER 74 H SER 74 16.749 -10.175 -1.592 1392 HA SER 74 HA SER 74 16.713 -10.618 1.303 1393 1HB SER 74 2HB SER 74 18.176 -8.217 0.493 1394 2HB SER 74 1HB SER 74 18.421 -9.272 1.823 1395 HG SER 74 HG SER 74 20.089 -9.596 0.403 1396 H VAL 75 H VAL 75 16.605 -7.970 2.119 1397 HA VAL 75 HA VAL 75 14.162 -7.179 2.464 1398 HB VAL 75 HB VAL 75 16.306 -5.417 1.330 1399 1HG1 VAL 75 1HG1 VAL 75 13.918 -4.530 2.948 1400 2HG1 VAL 75 2HG1 VAL 75 13.952 -4.440 1.188 1401 3HG1 VAL 75 3HG1 VAL 75 15.107 -3.509 2.141 1402 1HG2 VAL 75 1HG2 VAL 75 16.683 -4.894 3.715 1403 2HG2 VAL 75 2HG2 VAL 75 16.820 -6.630 3.437 1404 3HG2 VAL 75 3HG2 VAL 75 15.353 -5.965 4.149 1405 H GLY 76 H GLY 76 12.452 -7.398 1.369 1406 1HA GLY 76 2HA GLY 76 12.361 -6.643 -1.513 1407 2HA GLY 76 1HA GLY 76 11.268 -7.812 -0.756 1408 H VAL 77 H VAL 77 9.325 -6.687 -1.080 1409 HA VAL 77 HA VAL 77 8.940 -4.371 0.713 1410 HB VAL 77 HB VAL 77 8.549 -4.287 -2.313 1411 1HG1 VAL 77 1HG1 VAL 77 6.856 -3.027 -0.879 1412 2HG1 VAL 77 2HG1 VAL 77 7.731 -2.072 -2.074 1413 3HG1 VAL 77 3HG1 VAL 77 8.199 -2.003 -0.376 1414 1HG2 VAL 77 1HG2 VAL 77 10.246 -2.419 -2.154 1415 2HG2 VAL 77 2HG2 VAL 77 10.891 -4.015 -1.799 1416 3HG2 VAL 77 3HG2 VAL 77 10.529 -2.899 -0.484 1417 H SER 78 H SER 78 7.566 -6.198 1.619 1418 HA SER 78 HA SER 78 5.273 -7.098 0.062 1419 1HB SER 78 2HB SER 78 6.519 -7.536 2.651 1420 2HB SER 78 1HB SER 78 4.768 -7.425 2.811 1421 HG SER 78 HG SER 78 4.581 -9.024 1.224 1422 H VAL 79 H VAL 79 3.040 -6.736 1.147 1423 HA VAL 79 HA VAL 79 2.323 -4.402 2.597 1424 HB VAL 79 HB VAL 79 3.305 -3.215 0.678 1425 1HG1 VAL 79 1HG1 VAL 79 2.176 -3.569 -1.593 1426 2HG1 VAL 79 2HG1 VAL 79 1.502 -5.047 -0.909 1427 3HG1 VAL 79 3HG1 VAL 79 3.250 -4.857 -1.047 1428 1HG2 VAL 79 1HG2 VAL 79 0.314 -3.121 0.275 1429 2HG2 VAL 79 2HG2 VAL 79 1.476 -1.809 0.101 1430 3HG2 VAL 79 3HG2 VAL 79 1.087 -2.434 1.703 1431 H LYS 80 H LYS 80 -0.186 -3.903 2.018 1432 HA LYS 80 HA LYS 80 -1.680 -5.863 0.564 1433 1HB LYS 80 2HB LYS 80 -2.543 -7.132 2.531 1434 2HB LYS 80 1HB LYS 80 -0.803 -7.317 2.353 1435 1HG LYS 80 2HG LYS 80 -0.401 -6.334 4.345 1436 2HG LYS 80 1HG LYS 80 -1.484 -4.991 3.980 1437 1HD LYS 80 2HD LYS 80 -2.707 -5.922 5.684 1438 2HD LYS 80 1HD LYS 80 -3.319 -6.927 4.370 1439 1HE LYS 80 2HE LYS 80 -2.633 -8.672 5.684 1440 2HE LYS 80 1HE LYS 80 -1.011 -8.267 5.088 1441 1HZ LYS 80 1HZ LYS 80 -0.710 -6.753 6.906 1442 2HZ LYS 80 2HZ LYS 80 -1.156 -8.263 7.541 1443 3HZ LYS 80 3HZ LYS 80 -2.295 -7.005 7.451 1444 HA PRO 81 HA PRO 81 -4.912 -3.054 1.722 1445 1HB PRO 81 2HB PRO 81 -7.099 -4.624 1.289 1446 2HB PRO 81 1HB PRO 81 -6.070 -4.029 -0.027 1447 1HG PRO 81 2HG PRO 81 -6.318 -6.733 1.062 1448 2HG PRO 81 1HG PRO 81 -5.688 -6.198 -0.501 1449 1HD PRO 81 2HD PRO 81 -4.209 -6.960 1.830 1450 2HD PRO 81 1HD PRO 81 -3.581 -6.433 0.255 1451 H GLY 82 H GLY 82 -6.166 -2.465 3.523 1452 1HA GLY 82 2HA GLY 82 -6.284 -4.472 5.736 1453 2HA GLY 82 1HA GLY 82 -6.274 -2.729 5.970 1454 H GLU 83 H GLU 83 -8.276 -4.623 3.715 1455 HA GLU 83 HA GLU 83 -10.617 -4.898 3.590 1456 1HB GLU 83 2HB GLU 83 -10.117 -5.501 6.058 1457 2HB GLU 83 1HB GLU 83 -10.751 -3.898 6.427 1458 1HG GLU 83 2HG GLU 83 -12.833 -4.720 6.309 1459 2HG GLU 83 1HG GLU 83 -12.567 -5.078 4.602 1460 H SER 84 H SER 84 -9.788 -1.978 5.485 1461 HA SER 84 HA SER 84 -12.009 -0.371 5.026 1462 1HB SER 84 2HB SER 84 -10.258 0.474 6.364 1463 2HB SER 84 1HB SER 84 -9.039 0.138 5.138 1464 HG SER 84 HG SER 84 -10.572 2.344 5.509 1465 H LEU 85 H LEU 85 -9.461 -1.260 2.786 1466 HA LEU 85 HA LEU 85 -10.428 0.523 0.648 1467 1HB LEU 85 2HB LEU 85 -8.009 -0.260 1.268 1468 2HB LEU 85 1HB LEU 85 -8.447 -1.741 0.417 1469 HG LEU 85 HG LEU 85 -8.670 1.031 -0.762 1470 1HD1 LEU 85 1HD1 LEU 85 -6.733 -0.594 -2.088 1471 2HD1 LEU 85 2HD1 LEU 85 -6.361 -0.602 -0.365 1472 3HD1 LEU 85 3HD1 LEU 85 -6.478 0.928 -1.234 1473 1HD2 LEU 85 1HD2 LEU 85 -9.365 -1.716 -1.647 1474 2HD2 LEU 85 2HD2 LEU 85 -8.615 -0.673 -2.854 1475 3HD2 LEU 85 3HD2 LEU 85 -10.114 -0.180 -2.068 1476 H LYS 86 H LYS 86 -10.582 -2.874 1.597 1477 HA LYS 86 HA LYS 86 -11.849 -3.724 -0.903 1478 1HB LYS 86 2HB LYS 86 -10.465 -4.897 1.198 1479 2HB LYS 86 1HB LYS 86 -12.123 -5.431 1.464 1480 1HG LYS 86 2HG LYS 86 -12.252 -6.455 -0.674 1481 2HG LYS 86 1HG LYS 86 -10.801 -5.631 -1.245 1482 1HD LYS 86 2HD LYS 86 -9.387 -6.936 0.182 1483 2HD LYS 86 1HD LYS 86 -10.768 -7.573 1.075 1484 1HE LYS 86 2HE LYS 86 -11.555 -8.680 -1.049 1485 2HE LYS 86 1HE LYS 86 -10.034 -8.173 -1.811 1486 1HZ LYS 86 1HZ LYS 86 -9.611 -10.296 -0.915 1487 2HZ LYS 86 2HZ LYS 86 -10.395 -9.932 0.549 1488 3HZ LYS 86 3HZ LYS 86 -8.903 -9.208 0.177 1489 H LYS 87 H LYS 87 -12.844 -2.501 2.150 1490 HA LYS 87 HA LYS 87 -15.596 -3.460 1.814 1491 1HB LYS 87 2HB LYS 87 -14.587 -3.524 4.032 1492 2HB LYS 87 1HB LYS 87 -14.109 -1.831 3.907 1493 1HG LYS 87 2HG LYS 87 -16.075 -1.239 4.833 1494 2HG LYS 87 1HG LYS 87 -16.910 -1.915 3.434 1495 1HD LYS 87 2HD LYS 87 -16.008 -3.586 5.793 1496 2HD LYS 87 1HD LYS 87 -17.623 -2.888 5.662 1497 1HE LYS 87 2HE LYS 87 -18.260 -4.340 3.983 1498 2HE LYS 87 1HE LYS 87 -16.619 -4.446 3.315 1499 1HZ LYS 87 1HZ LYS 87 -15.921 -5.775 5.137 1500 2HZ LYS 87 2HZ LYS 87 -17.360 -6.468 4.558 1501 3HZ LYS 87 3HZ LYS 87 -17.376 -5.527 5.973 1502 H ALA 88 H ALA 88 -13.611 -0.608 1.445 1503 HA ALA 88 HA ALA 88 -15.799 1.287 1.131 1504 1HB ALA 88 1HB ALA 88 -13.581 2.058 1.696 1505 2HB ALA 88 2HB ALA 88 -13.896 2.610 0.051 1506 3HB ALA 88 3HB ALA 88 -12.874 1.200 0.327 1507 H ALA 89 H ALA 89 -13.896 -0.837 -0.934 1508 HA ALA 89 HA ALA 89 -15.035 0.114 -3.435 1509 1HB ALA 89 1HB ALA 89 -12.990 -0.893 -3.744 1510 2HB ALA 89 2HB ALA 89 -14.031 -2.285 -4.031 1511 3HB ALA 89 3HB ALA 89 -13.269 -2.062 -2.456 1512 H GLU 90 H GLU 90 -15.680 -2.580 -1.241 1513 HA GLU 90 HA GLU 90 -17.691 -3.894 -2.771 1514 1HB GLU 90 2HB GLU 90 -16.524 -4.023 -0.213 1515 2HB GLU 90 1HB GLU 90 -18.235 -3.734 0.099 1516 1HG GLU 90 2HG GLU 90 -18.321 -5.625 -1.904 1517 2HG GLU 90 1HG GLU 90 -16.905 -6.123 -0.977 1518 H GLY 91 H GLY 91 -17.621 -0.850 -1.063 1519 1HA GLY 91 2HA GLY 91 -20.572 -0.618 -1.210 1520 2HA GLY 91 1HA GLY 91 -19.512 0.421 -0.271 1521 H LEU 92 H LEU 92 -17.810 0.534 -3.137 1522 HA LEU 92 HA LEU 92 -19.399 2.932 -3.896 1523 1HB LEU 92 2HB LEU 92 -16.676 1.871 -4.636 1524 2HB LEU 92 1HB LEU 92 -17.320 3.399 -5.228 1525 HG LEU 92 HG LEU 92 -16.315 2.672 -2.521 1526 1HD1 LEU 92 1HD1 LEU 92 -16.200 4.953 -4.443 1527 2HD1 LEU 92 2HD1 LEU 92 -14.897 4.167 -3.554 1528 3HD1 LEU 92 3HD1 LEU 92 -15.963 5.302 -2.731 1529 1HD2 LEU 92 1HD2 LEU 92 -17.655 4.601 -1.542 1530 2HD2 LEU 92 2HD2 LEU 92 -18.591 3.147 -1.888 1531 3HD2 LEU 92 3HD2 LEU 92 -18.669 4.527 -2.984 1532 H LYS 93 H LYS 93 -17.643 0.539 -5.902 1533 HA LYS 93 HA LYS 93 -20.117 0.164 -7.514 1534 1HB LYS 93 2HB LYS 93 -17.827 1.848 -8.165 1535 2HB LYS 93 1HB LYS 93 -18.105 0.626 -9.404 1536 1HG LYS 93 2HG LYS 93 -19.639 2.105 -10.197 1537 2HG LYS 93 1HG LYS 93 -20.662 1.459 -8.914 1538 1HD LYS 93 2HD LYS 93 -20.475 3.342 -7.637 1539 2HD LYS 93 1HD LYS 93 -18.790 3.600 -8.085 1540 1HE LYS 93 2HE LYS 93 -19.431 5.170 -9.583 1541 2HE LYS 93 1HE LYS 93 -20.416 3.962 -10.432 1542 1HZ LYS 93 1HZ LYS 93 -21.764 5.795 -9.526 1543 2HZ LYS 93 2HZ LYS 93 -21.245 5.388 -7.959 1544 3HZ LYS 93 3HZ LYS 93 -22.186 4.295 -8.858 1545 H TYR 94 H TYR 94 -18.953 -1.822 -5.939 1546 HA TYR 94 HA TYR 94 -16.939 -3.437 -7.081 1547 1HB TYR 94 2HB TYR 94 -17.819 -3.902 -4.896 1548 2HB TYR 94 1HB TYR 94 -19.462 -4.047 -5.518 1549 HD1 TYR 94 HD1 TYR 94 -20.266 -6.098 -6.418 1550 HD2 TYR 94 HD2 TYR 94 -16.098 -5.639 -5.526 1551 HE1 TYR 94 HE1 TYR 94 -19.920 -8.529 -6.803 1552 HE2 TYR 94 HE2 TYR 94 -15.753 -8.075 -5.902 1553 HH TYR 94 HH TYR 94 -18.321 -10.278 -6.135 1554 H GLU 95 H GLU 95 -20.456 -3.559 -7.665 1555 HA GLU 95 HA GLU 95 -20.386 -5.634 -9.639 1556 1HB GLU 95 2HB GLU 95 -22.669 -4.831 -10.119 1557 2HB GLU 95 1HB GLU 95 -22.386 -4.881 -8.380 1558 1HG GLU 95 2HG GLU 95 -21.779 -2.432 -8.491 1559 2HG GLU 95 1HG GLU 95 -22.310 -2.439 -10.173 1560 H ASP 96 H ASP 96 -20.184 -2.100 -9.869 1561 HA ASP 96 HA ASP 96 -20.327 -1.790 -12.683 1562 1HB ASP 96 2HB ASP 96 -19.955 -0.203 -10.485 1563 2HB ASP 96 1HB ASP 96 -18.347 -0.149 -11.209 1564 H PHE 97 H PHE 97 -17.747 -2.979 -10.620 1565 HA PHE 97 HA PHE 97 -15.752 -2.911 -12.810 1566 1HB PHE 97 2HB PHE 97 -15.492 -4.223 -10.098 1567 2HB PHE 97 1HB PHE 97 -14.218 -3.538 -11.098 1568 HD1 PHE 97 HD1 PHE 97 -15.158 -2.956 -8.102 1569 HD2 PHE 97 HD2 PHE 97 -15.665 -0.955 -11.870 1570 HE1 PHE 97 HE1 PHE 97 -15.410 -0.792 -6.919 1571 HE2 PHE 97 HE2 PHE 97 -15.918 1.209 -10.685 1572 HZ PHE 97 HZ PHE 97 -15.791 1.289 -8.211 1573 H ALA 98 H ALA 98 -17.915 -5.165 -11.204 1574 HA ALA 98 HA ALA 98 -16.736 -7.632 -12.042 1575 1HB ALA 98 1HB ALA 98 -18.840 -8.545 -11.369 1576 2HB ALA 98 2HB ALA 98 -19.690 -7.046 -11.747 1577 3HB ALA 98 3HB ALA 98 -18.611 -7.120 -10.355 1578 H LYS 99 H LYS 99 -18.845 -5.332 -13.685 1579 HA LYS 99 HA LYS 99 -18.692 -7.041 -16.150 1580 1HB LYS 99 2HB LYS 99 -20.881 -5.455 -14.844 1581 2HB LYS 99 1HB LYS 99 -20.903 -5.651 -16.597 1582 1HG LYS 99 2HG LYS 99 -20.629 -8.148 -16.209 1583 2HG LYS 99 1HG LYS 99 -20.931 -7.833 -14.500 1584 1HD LYS 99 2HD LYS 99 -22.809 -7.024 -16.738 1585 2HD LYS 99 1HD LYS 99 -22.998 -8.481 -15.762 1586 1HE LYS 99 2HE LYS 99 -23.123 -7.079 -13.711 1587 2HE LYS 99 1HE LYS 99 -23.002 -5.624 -14.721 1588 1HZ LYS 99 1HZ LYS 99 -25.324 -6.253 -14.283 1589 2HZ LYS 99 2HZ LYS 99 -25.055 -7.751 -15.039 1590 3HZ LYS 99 3HZ LYS 99 -24.950 -6.311 -15.935 Start of MODEL 8 1 1H MET 1 1H MET 1 4.435 3.457 11.848 2 2H MET 1 2H MET 1 6.004 4.060 11.604 3 3H MET 1 3H MET 1 5.244 3.146 10.391 4 HA MET 1 HA MET 1 4.554 5.892 11.282 5 1HB MET 1 2HB MET 1 6.105 4.602 9.193 6 2HB MET 1 1HB MET 1 4.816 5.578 8.490 7 1HG MET 1 2HG MET 1 5.588 7.555 9.536 8 2HG MET 1 1HG MET 1 6.605 6.663 10.667 9 1HE MET 1 1HE MET 1 6.977 7.735 6.378 10 2HE MET 1 2HE MET 1 7.356 8.999 7.544 11 3HE MET 1 3HE MET 1 5.814 8.153 7.644 12 H ASN 2 H ASN 2 2.575 6.760 10.282 13 HA ASN 2 HA ASN 2 0.910 5.099 8.631 14 1HB ASN 2 2HB ASN 2 -0.792 4.543 10.319 15 2HB ASN 2 1HB ASN 2 0.781 3.922 10.816 16 1HD2 ASN 2 1HD2 ASN 2 -1.554 4.754 12.541 17 2HD2 ASN 2 2HD2 ASN 2 -0.935 5.939 13.587 18 H LYS 3 H LYS 3 -1.622 6.153 9.711 19 HA LYS 3 HA LYS 3 -1.937 8.498 8.199 20 1HB LYS 3 2HB LYS 3 -3.360 7.041 10.345 21 2HB LYS 3 1HB LYS 3 -3.825 8.732 10.169 22 1HG LYS 3 2HG LYS 3 -3.742 7.908 7.545 23 2HG LYS 3 1HG LYS 3 -4.316 6.452 8.358 24 1HD LYS 3 2HD LYS 3 -5.961 8.057 9.585 25 2HD LYS 3 1HD LYS 3 -5.580 9.189 8.291 26 1HE LYS 3 2HE LYS 3 -7.375 8.109 7.272 27 2HE LYS 3 1HE LYS 3 -6.104 6.961 6.803 28 1HZ LYS 3 1HZ LYS 3 -8.061 5.966 8.003 29 2HZ LYS 3 2HZ LYS 3 -7.546 6.798 9.392 30 3HZ LYS 3 3HZ LYS 3 -6.546 5.622 8.682 31 H THR 4 H THR 4 -0.042 8.259 10.998 32 HA THR 4 HA THR 4 -0.407 11.173 11.605 33 HB THR 4 HB THR 4 0.501 8.843 13.324 34 HG1 THR 4 HG1 THR 4 -1.453 9.400 14.435 35 1HG2 THR 4 1HG2 THR 4 0.110 10.797 15.097 36 2HG2 THR 4 2HG2 THR 4 0.548 11.803 13.716 37 3HG2 THR 4 3HG2 THR 4 1.669 10.575 14.304 38 H GLU 5 H GLU 5 2.116 8.676 12.055 39 HA GLU 5 HA GLU 5 4.352 10.362 12.031 40 1HB GLU 5 2HB GLU 5 4.102 7.604 10.808 41 2HB GLU 5 1HB GLU 5 5.587 8.344 11.399 42 1HG GLU 5 2HG GLU 5 3.942 8.587 13.586 43 2HG GLU 5 1HG GLU 5 3.412 7.048 12.906 44 H LEU 6 H LEU 6 2.666 8.879 9.250 45 HA LEU 6 HA LEU 6 4.415 9.907 7.225 46 1HB LEU 6 2HB LEU 6 1.530 9.045 7.363 47 2HB LEU 6 1HB LEU 6 2.185 9.696 5.863 48 HG LEU 6 HG LEU 6 3.449 7.403 7.388 49 1HD1 LEU 6 1HD1 LEU 6 2.071 6.987 4.779 50 2HD1 LEU 6 2HD1 LEU 6 1.045 7.192 6.199 51 3HD1 LEU 6 3HD1 LEU 6 2.235 5.891 6.151 52 1HD2 LEU 6 1HD2 LEU 6 4.507 9.079 5.456 53 2HD2 LEU 6 2HD2 LEU 6 3.917 7.719 4.500 54 3HD2 LEU 6 3HD2 LEU 6 5.075 7.445 5.801 55 H ILE 7 H ILE 7 1.705 11.415 8.984 56 HA ILE 7 HA ILE 7 1.417 13.707 7.289 57 HB ILE 7 HB ILE 7 0.129 14.609 9.021 58 1HG1 ILE 7 2HG1 ILE 7 0.535 13.566 11.457 59 2HG1 ILE 7 1HG1 ILE 7 2.167 13.426 10.825 60 1HG2 ILE 7 1HG2 ILE 7 0.160 11.681 9.735 61 2HG2 ILE 7 2HG2 ILE 7 -0.670 12.355 8.336 62 3HG2 ILE 7 3HG2 ILE 7 -1.166 12.813 9.966 63 1HD1 ILE 7 1HD1 ILE 7 0.525 15.897 11.255 64 2HD1 ILE 7 2HD1 ILE 7 1.808 15.895 10.045 65 3HD1 ILE 7 3HD1 ILE 7 2.191 15.575 11.736 66 H LYS 8 H LYS 8 3.545 12.998 10.018 67 HA LYS 8 HA LYS 8 4.912 15.542 9.964 68 1HB LYS 8 2HB LYS 8 5.831 14.626 11.835 69 2HB LYS 8 1HB LYS 8 4.830 13.209 11.536 70 1HG LYS 8 2HG LYS 8 6.640 12.268 10.103 71 2HG LYS 8 1HG LYS 8 7.647 13.659 10.503 72 1HD LYS 8 2HD LYS 8 8.380 12.332 12.205 73 2HD LYS 8 1HD LYS 8 6.892 12.852 12.995 74 1HE LYS 8 2HE LYS 8 6.042 10.751 12.920 75 2HE LYS 8 1HE LYS 8 6.405 10.607 11.189 76 1HZ LYS 8 1HZ LYS 8 7.777 9.049 12.328 77 2HZ LYS 8 2HZ LYS 8 8.279 10.214 13.460 78 3HZ LYS 8 3HZ LYS 8 8.779 10.326 11.839 79 H ALA 9 H ALA 9 5.227 12.475 8.265 80 HA ALA 9 HA ALA 9 7.810 12.756 7.123 81 1HB ALA 9 1HB ALA 9 6.025 10.858 7.073 82 2HB ALA 9 2HB ALA 9 7.048 11.071 5.653 83 3HB ALA 9 3HB ALA 9 5.399 11.695 5.652 84 H ILE 10 H ILE 10 4.643 14.103 6.136 85 HA ILE 10 HA ILE 10 5.947 15.519 3.894 86 HB ILE 10 HB ILE 10 3.225 14.685 4.771 87 1HG1 ILE 10 2HG1 ILE 10 2.912 14.464 2.318 88 2HG1 ILE 10 1HG1 ILE 10 4.502 15.185 2.067 89 1HG2 ILE 10 1HG2 ILE 10 3.643 17.293 3.280 90 2HG2 ILE 10 2HG2 ILE 10 2.876 17.095 4.854 91 3HG2 ILE 10 3HG2 ILE 10 2.100 16.451 3.407 92 1HD1 ILE 10 1HD1 ILE 10 4.038 12.684 3.712 93 2HD1 ILE 10 2HD1 ILE 10 5.590 13.354 3.210 94 3HD1 ILE 10 3HD1 ILE 10 4.497 12.663 2.009 95 H ALA 11 H ALA 11 4.583 15.963 7.101 96 HA ALA 11 HA ALA 11 4.436 18.829 7.035 97 1HB ALA 11 1HB ALA 11 3.607 16.980 8.729 98 2HB ALA 11 2HB ALA 11 4.089 18.549 9.365 99 3HB ALA 11 3HB ALA 11 5.201 17.185 9.452 100 H GLN 12 H GLN 12 7.079 16.650 6.909 101 HA GLN 12 HA GLN 12 8.971 18.808 7.717 102 1HB GLN 12 2HB GLN 12 9.242 15.780 7.732 103 2HB GLN 12 1HB GLN 12 10.495 16.905 8.255 104 1HG GLN 12 2HG GLN 12 7.724 16.870 9.464 105 2HG GLN 12 1HG GLN 12 9.061 15.922 10.116 106 1HE2 GLN 12 1HE2 GLN 12 10.951 17.136 10.965 107 2HE2 GLN 12 2HE2 GLN 12 10.782 18.759 11.434 108 H ASP 13 H ASP 13 8.489 16.097 5.399 109 HA ASP 13 HA ASP 13 10.721 16.851 3.689 110 1HB ASP 13 2HB ASP 13 8.146 15.283 3.312 111 2HB ASP 13 1HB ASP 13 9.348 15.446 2.033 112 H THR 14 H THR 14 7.506 17.857 4.231 113 HA THR 14 HA THR 14 7.479 19.734 1.912 114 HB THR 14 HB THR 14 5.012 19.290 3.432 115 HG1 THR 14 HG1 THR 14 6.300 17.037 2.285 116 1HG2 THR 14 1HG2 THR 14 4.178 19.440 1.377 117 2HG2 THR 14 2HG2 THR 14 5.116 18.044 0.843 118 3HG2 THR 14 3HG2 THR 14 5.824 19.655 0.776 119 H GLY 15 H GLY 15 5.912 19.621 5.115 120 1HA GLY 15 2HA GLY 15 5.806 21.180 6.863 121 2HA GLY 15 1HA GLY 15 7.479 21.543 6.461 122 H LEU 16 H LEU 16 5.177 22.024 3.978 123 HA LEU 16 HA LEU 16 5.761 24.795 3.608 124 1HB LEU 16 2HB LEU 16 3.396 23.067 2.832 125 2HB LEU 16 1HB LEU 16 3.675 24.686 2.192 126 HG LEU 16 HG LEU 16 6.103 23.576 1.780 127 1HD1 LEU 16 1HD1 LEU 16 4.639 21.330 0.725 128 2HD1 LEU 16 2HD1 LEU 16 4.492 21.393 2.472 129 3HD1 LEU 16 3HD1 LEU 16 6.084 21.338 1.721 130 1HD2 LEU 16 1HD2 LEU 16 5.552 23.929 -0.426 131 2HD2 LEU 16 2HD2 LEU 16 4.043 24.554 0.238 132 3HD2 LEU 16 3HD2 LEU 16 4.134 22.887 -0.323 133 H THR 17 H THR 17 2.651 23.435 4.583 134 HA THR 17 HA THR 17 2.295 25.654 6.535 135 HB THR 17 HB THR 17 1.193 25.630 4.069 136 HG1 THR 17 HG1 THR 17 -0.386 26.982 4.965 137 1HG2 THR 17 1HG2 THR 17 -0.779 24.147 5.833 138 2HG2 THR 17 2HG2 THR 17 0.047 23.492 4.421 139 3HG2 THR 17 3HG2 THR 17 -1.123 24.792 4.234 140 H GLN 18 H GLN 18 2.642 22.445 6.206 141 HA GLN 18 HA GLN 18 1.884 20.571 7.406 142 1HB GLN 18 2HB GLN 18 0.616 22.596 9.277 143 2HB GLN 18 1HB GLN 18 1.265 21.008 9.687 144 1HG GLN 18 2HG GLN 18 3.524 21.974 8.810 145 2HG GLN 18 1HG GLN 18 2.751 23.543 9.042 146 1HE2 GLN 18 1HE2 GLN 18 5.005 22.192 10.608 147 2HE2 GLN 18 2HE2 GLN 18 4.475 22.217 12.220 148 H VAL 19 H VAL 19 0.384 22.048 5.360 149 HA VAL 19 HA VAL 19 -2.109 22.611 5.145 150 HB VAL 19 HB VAL 19 -1.159 21.766 3.183 151 1HG1 VAL 19 1HG1 VAL 19 0.587 20.388 3.718 152 2HG1 VAL 19 2HG1 VAL 19 -0.561 19.166 3.170 153 3HG1 VAL 19 3HG1 VAL 19 -0.353 19.471 4.894 154 1HG2 VAL 19 1HG2 VAL 19 -2.607 19.234 3.307 155 2HG2 VAL 19 2HG2 VAL 19 -2.876 20.628 2.270 156 3HG2 VAL 19 3HG2 VAL 19 -3.583 20.580 3.885 157 H SER 20 H SER 20 -2.277 19.190 5.104 158 HA SER 20 HA SER 20 -3.903 19.090 7.547 159 1HB SER 20 2HB SER 20 -4.672 18.842 4.757 160 2HB SER 20 1HB SER 20 -5.054 17.382 5.645 161 HG SER 20 HG SER 20 -5.697 19.991 6.549 162 H VAL 21 H VAL 21 -1.101 18.336 6.586 163 HA VAL 21 HA VAL 21 -0.265 15.971 5.896 164 HB VAL 21 HB VAL 21 1.139 15.864 7.947 165 1HG1 VAL 21 1HG1 VAL 21 2.331 17.742 7.370 166 2HG1 VAL 21 2HG1 VAL 21 0.900 18.774 7.375 167 3HG1 VAL 21 3HG1 VAL 21 1.213 17.706 6.006 168 1HG2 VAL 21 1HG2 VAL 21 -0.814 17.974 8.898 169 2HG2 VAL 21 2HG2 VAL 21 0.741 17.662 9.669 170 3HG2 VAL 21 3HG2 VAL 21 -0.499 16.408 9.644 171 H SER 22 H SER 22 -2.297 16.448 8.660 172 HA SER 22 HA SER 22 -2.592 13.543 9.203 173 1HB SER 22 2HB SER 22 -4.269 14.569 10.903 174 2HB SER 22 1HB SER 22 -2.560 14.932 11.123 175 HG SER 22 HG SER 22 -3.302 16.916 11.077 176 H LYS 23 H LYS 23 -4.481 16.215 7.852 177 HA LYS 23 HA LYS 23 -6.812 14.511 7.367 178 1HB LYS 23 2HB LYS 23 -6.161 17.284 7.574 179 2HB LYS 23 1HB LYS 23 -6.911 17.011 6.002 180 1HG LYS 23 2HG LYS 23 -8.451 15.494 7.775 181 2HG LYS 23 1HG LYS 23 -8.120 16.990 8.649 182 1HD LYS 23 2HD LYS 23 -9.415 16.690 5.928 183 2HD LYS 23 1HD LYS 23 -10.124 17.379 7.388 184 1HE LYS 23 2HE LYS 23 -8.012 19.022 7.188 185 2HE LYS 23 1HE LYS 23 -8.182 18.601 5.471 186 1HZ LYS 23 1HZ LYS 23 -9.627 20.441 5.946 187 2HZ LYS 23 2HZ LYS 23 -10.313 19.631 7.273 188 3HZ LYS 23 3HZ LYS 23 -10.587 19.066 5.693 189 H MET 24 H MET 24 -4.089 15.843 5.440 190 HA MET 24 HA MET 24 -5.328 15.004 2.942 191 1HB MET 24 2HB MET 24 -2.711 15.246 2.279 192 2HB MET 24 1HB MET 24 -3.811 16.610 2.380 193 1HG MET 24 2HG MET 24 -2.718 17.484 4.160 194 2HG MET 24 1HG MET 24 -2.592 15.912 4.952 195 1HE MET 24 1HE MET 24 -1.145 13.969 3.258 196 2HE MET 24 2HE MET 24 -1.092 14.437 4.954 197 3HE MET 24 3HE MET 24 0.409 14.279 4.045 198 H LEU 25 H LEU 25 -2.838 13.562 5.146 199 HA LEU 25 HA LEU 25 -2.490 11.238 3.434 200 1HB LEU 25 2HB LEU 25 -1.837 12.070 6.221 201 2HB LEU 25 1HB LEU 25 -1.787 10.346 5.849 202 HG LEU 25 HG LEU 25 -0.512 12.221 3.923 203 1HD1 LEU 25 1HD1 LEU 25 0.370 11.783 6.725 204 2HD1 LEU 25 2HD1 LEU 25 0.677 13.143 5.644 205 3HD1 LEU 25 3HD1 LEU 25 1.616 11.659 5.482 206 1HD2 LEU 25 1HD2 LEU 25 1.093 10.278 3.805 207 2HD2 LEU 25 2HD2 LEU 25 -0.569 9.861 3.390 208 3HD2 LEU 25 3HD2 LEU 25 0.075 9.440 4.977 209 H ALA 26 H ALA 26 -4.508 11.993 6.276 210 HA ALA 26 HA ALA 26 -5.846 9.459 6.452 211 1HB ALA 26 1HB ALA 26 -6.686 12.306 7.115 212 2HB ALA 26 2HB ALA 26 -5.949 11.146 8.220 213 3HB ALA 26 3HB ALA 26 -7.585 10.876 7.621 214 H SER 27 H SER 27 -6.244 12.325 4.459 215 HA SER 27 HA SER 27 -8.756 11.477 3.233 216 1HB SER 27 2HB SER 27 -8.285 13.817 3.247 217 2HB SER 27 1HB SER 27 -6.628 13.563 2.708 218 HG SER 27 HG SER 27 -7.429 13.881 0.794 219 H PHE 28 H PHE 28 -5.296 11.333 2.538 220 HA PHE 28 HA PHE 28 -5.344 10.252 -0.091 221 1HB PHE 28 2HB PHE 28 -3.209 10.795 0.541 222 2HB PHE 28 1HB PHE 28 -3.532 10.453 2.233 223 HD1 PHE 28 HD1 PHE 28 -2.117 9.197 -0.853 224 HD2 PHE 28 HD2 PHE 28 -3.530 8.001 3.024 225 HE1 PHE 28 HE1 PHE 28 -0.837 7.108 -1.030 226 HE2 PHE 28 HE2 PHE 28 -2.253 5.906 2.832 227 HZ PHE 28 HZ PHE 28 -0.901 5.449 0.799 228 H GLU 29 H GLU 29 -5.647 8.754 3.082 229 HA GLU 29 HA GLU 29 -5.788 6.039 2.053 230 1HB GLU 29 2HB GLU 29 -5.990 7.564 4.609 231 2HB GLU 29 1HB GLU 29 -6.731 5.964 4.570 232 1HG GLU 29 2HG GLU 29 -4.747 4.906 4.336 233 2HG GLU 29 1HG GLU 29 -4.103 6.151 3.288 234 H LYS 30 H LYS 30 -7.903 8.622 3.057 235 HA LYS 30 HA LYS 30 -10.375 7.151 2.781 236 1HB LYS 30 2HB LYS 30 -9.979 9.305 4.066 237 2HB LYS 30 1HB LYS 30 -9.870 10.130 2.508 238 1HG LYS 30 2HG LYS 30 -12.118 9.607 1.946 239 2HG LYS 30 1HG LYS 30 -12.240 8.408 3.233 240 1HD LYS 30 2HD LYS 30 -13.257 10.110 4.366 241 2HD LYS 30 1HD LYS 30 -11.597 10.613 4.689 242 1HE LYS 30 2HE LYS 30 -11.774 11.911 2.439 243 2HE LYS 30 1HE LYS 30 -13.525 11.705 2.639 244 1HZ LYS 30 1HZ LYS 30 -13.214 12.523 4.965 245 2HZ LYS 30 2HZ LYS 30 -12.934 13.694 3.766 246 3HZ LYS 30 3HZ LYS 30 -11.625 12.948 4.551 247 H ILE 31 H ILE 31 -8.110 8.615 0.544 248 HA ILE 31 HA ILE 31 -10.155 8.424 -1.612 249 HB ILE 31 HB ILE 31 -8.502 9.763 -2.872 250 1HG1 ILE 31 2HG1 ILE 31 -7.040 10.862 -0.729 251 2HG1 ILE 31 1HG1 ILE 31 -6.839 9.115 -0.697 252 1HG2 ILE 31 1HG2 ILE 31 -9.112 11.834 -1.827 253 2HG2 ILE 31 2HG2 ILE 31 -9.291 11.040 -0.262 254 3HG2 ILE 31 3HG2 ILE 31 -10.439 10.704 -1.559 255 1HD1 ILE 31 1HD1 ILE 31 -5.415 10.784 -2.324 256 2HD1 ILE 31 2HD1 ILE 31 -6.727 10.286 -3.391 257 3HD1 ILE 31 3HD1 ILE 31 -5.687 9.073 -2.648 258 H ILE 32 H ILE 32 -7.065 7.229 -0.518 259 HA ILE 32 HA ILE 32 -6.419 5.731 -2.903 260 HB ILE 32 HB ILE 32 -5.692 5.273 0.025 261 1HG1 ILE 32 2HG1 ILE 32 -4.909 7.333 -1.734 262 2HG1 ILE 32 1HG1 ILE 32 -4.073 6.854 -0.260 263 1HG2 ILE 32 1HG2 ILE 32 -3.843 3.894 -1.016 264 2HG2 ILE 32 2HG2 ILE 32 -4.629 4.095 -2.577 265 3HG2 ILE 32 3HG2 ILE 32 -5.454 3.230 -1.285 266 1HD1 ILE 32 1HD1 ILE 32 -3.564 5.601 -2.964 267 2HD1 ILE 32 2HD1 ILE 32 -2.647 5.341 -1.479 268 3HD1 ILE 32 3HD1 ILE 32 -2.598 6.910 -2.283 269 H THR 33 H THR 33 -7.805 4.837 0.233 270 HA THR 33 HA THR 33 -8.619 2.239 -0.636 271 HB THR 33 HB THR 33 -8.537 3.819 1.739 272 HG1 THR 33 HG1 THR 33 -8.465 1.857 2.644 273 1HG2 THR 33 1HG2 THR 33 -10.682 3.128 2.781 274 2HG2 THR 33 2HG2 THR 33 -11.230 2.552 1.206 275 3HG2 THR 33 3HG2 THR 33 -10.914 4.269 1.457 276 H GLU 34 H GLU 34 -10.222 5.417 -0.388 277 HA GLU 34 HA GLU 34 -12.821 4.456 -1.231 278 1HB GLU 34 2HB GLU 34 -11.406 7.092 -0.953 279 2HB GLU 34 1HB GLU 34 -13.058 7.014 -1.557 280 1HG GLU 34 2HG GLU 34 -12.132 5.805 1.079 281 2HG GLU 34 1HG GLU 34 -12.978 7.347 0.934 282 H THR 35 H THR 35 -10.006 5.839 -3.022 283 HA THR 35 HA THR 35 -11.367 6.272 -5.510 284 HB THR 35 HB THR 35 -8.513 5.549 -4.795 285 HG1 THR 35 HG1 THR 35 -9.673 7.883 -5.910 286 1HG2 THR 35 1HG2 THR 35 -8.098 5.012 -6.945 287 2HG2 THR 35 2HG2 THR 35 -8.692 6.593 -7.448 288 3HG2 THR 35 3HG2 THR 35 -9.801 5.229 -7.340 289 H VAL 36 H VAL 36 -9.552 3.428 -4.317 290 HA VAL 36 HA VAL 36 -10.143 1.714 -6.513 291 HB VAL 36 HB VAL 36 -9.279 1.559 -3.711 292 1HG1 VAL 36 1HG1 VAL 36 -11.196 0.215 -3.261 293 2HG1 VAL 36 2HG1 VAL 36 -9.879 -0.924 -3.537 294 3HG1 VAL 36 3HG1 VAL 36 -11.063 -0.625 -4.805 295 1HG2 VAL 36 1HG2 VAL 36 -8.715 -0.581 -5.704 296 2HG2 VAL 36 2HG2 VAL 36 -7.610 0.277 -4.630 297 3HG2 VAL 36 3HG2 VAL 36 -8.182 1.051 -6.107 298 H ALA 37 H ALA 37 -11.986 2.694 -3.668 299 HA ALA 37 HA ALA 37 -14.308 1.032 -4.306 300 1HB ALA 37 1HB ALA 37 -15.241 2.159 -2.369 301 2HB ALA 37 2HB ALA 37 -13.962 3.367 -2.426 302 3HB ALA 37 3HB ALA 37 -13.576 1.696 -2.029 303 H LYS 38 H LYS 38 -13.017 3.853 -5.563 304 HA LYS 38 HA LYS 38 -15.671 5.021 -6.275 305 1HB LYS 38 2HB LYS 38 -13.272 6.126 -5.431 306 2HB LYS 38 1HB LYS 38 -13.198 6.343 -7.179 307 1HG LYS 38 2HG LYS 38 -14.281 8.293 -6.289 308 2HG LYS 38 1HG LYS 38 -15.540 7.315 -7.047 309 1HD LYS 38 2HD LYS 38 -16.350 8.049 -4.881 310 2HD LYS 38 1HD LYS 38 -16.033 6.316 -4.797 311 1HE LYS 38 2HE LYS 38 -14.717 6.750 -2.998 312 2HE LYS 38 1HE LYS 38 -13.586 7.546 -4.109 313 1HZ LYS 38 1HZ LYS 38 -14.781 9.591 -3.890 314 2HZ LYS 38 2HZ LYS 38 -14.413 9.034 -2.328 315 3HZ LYS 38 3HZ LYS 38 -15.985 8.857 -2.948 316 H GLY 39 H GLY 39 -12.931 3.285 -7.432 317 1HA GLY 39 2HA GLY 39 -13.176 1.893 -9.376 318 2HA GLY 39 1HA GLY 39 -14.239 3.114 -10.069 319 H ASP 40 H ASP 40 -11.059 3.606 -8.536 320 HA ASP 40 HA ASP 40 -10.010 4.400 -11.236 321 1HB ASP 40 2HB ASP 40 -10.575 6.031 -8.895 322 2HB ASP 40 1HB ASP 40 -8.873 6.140 -9.346 323 H LYS 41 H LYS 41 -8.160 3.293 -11.629 324 HA LYS 41 HA LYS 41 -6.810 1.794 -9.513 325 1HB LYS 41 2HB LYS 41 -5.416 1.045 -11.439 326 2HB LYS 41 1HB LYS 41 -7.141 0.913 -11.782 327 1HG LYS 41 2HG LYS 41 -7.005 2.393 -13.480 328 2HG LYS 41 1HG LYS 41 -6.099 3.541 -12.495 329 1HD LYS 41 2HD LYS 41 -4.117 1.846 -12.853 330 2HD LYS 41 1HD LYS 41 -5.073 1.325 -14.240 331 1HE LYS 41 2HE LYS 41 -5.202 4.019 -14.578 332 2HE LYS 41 1HE LYS 41 -3.602 3.868 -13.823 333 1HZ LYS 41 1HZ LYS 41 -3.462 3.547 -16.223 334 2HZ LYS 41 2HZ LYS 41 -4.584 2.274 -16.134 335 3HZ LYS 41 3HZ LYS 41 -3.059 2.119 -15.400 336 H VAL 42 H VAL 42 -6.353 4.037 -8.381 337 HA VAL 42 HA VAL 42 -4.384 5.839 -9.389 338 HB VAL 42 HB VAL 42 -5.742 6.397 -7.476 339 1HG1 VAL 42 1HG1 VAL 42 -4.640 4.694 -5.437 340 2HG1 VAL 42 2HG1 VAL 42 -5.275 3.696 -6.743 341 3HG1 VAL 42 3HG1 VAL 42 -6.321 4.867 -5.940 342 1HG2 VAL 42 1HG2 VAL 42 -3.241 5.988 -5.954 343 2HG2 VAL 42 2HG2 VAL 42 -4.111 7.479 -6.313 344 3HG2 VAL 42 3HG2 VAL 42 -3.032 6.777 -7.518 345 H GLN 43 H GLN 43 -2.090 5.828 -9.195 346 HA GLN 43 HA GLN 43 -0.853 3.317 -8.118 347 1HB GLN 43 2HB GLN 43 0.112 4.600 -10.657 348 2HB GLN 43 1HB GLN 43 0.238 2.917 -10.148 349 1HG GLN 43 2HG GLN 43 -2.295 2.788 -10.362 350 2HG GLN 43 1HG GLN 43 -2.223 4.363 -11.151 351 1HE2 GLN 43 1HE2 GLN 43 -0.534 4.425 -13.059 352 2HE2 GLN 43 2HE2 GLN 43 -0.492 3.055 -14.060 353 H LEU 44 H LEU 44 0.676 3.922 -6.631 354 HA LEU 44 HA LEU 44 1.674 6.605 -6.350 355 1HB LEU 44 2HB LEU 44 2.653 3.902 -5.363 356 2HB LEU 44 1HB LEU 44 3.293 5.438 -4.792 357 HG LEU 44 HG LEU 44 0.544 4.271 -4.367 358 1HD1 LEU 44 1HD1 LEU 44 2.704 5.479 -2.624 359 2HD1 LEU 44 2HD1 LEU 44 2.071 3.841 -2.574 360 3HD1 LEU 44 3HD1 LEU 44 1.074 5.177 -2.035 361 1HD2 LEU 44 1HD2 LEU 44 1.351 7.163 -4.472 362 2HD2 LEU 44 2HD2 LEU 44 0.127 6.642 -3.315 363 3HD2 LEU 44 3HD2 LEU 44 -0.135 6.402 -5.043 364 H THR 45 H THR 45 4.270 6.765 -6.286 365 HA THR 45 HA THR 45 5.368 7.166 -8.742 366 HB THR 45 HB THR 45 6.590 7.682 -6.760 367 HG1 THR 45 HG1 THR 45 8.370 7.263 -7.752 368 1HG2 THR 45 1HG2 THR 45 5.632 5.872 -5.366 369 2HG2 THR 45 2HG2 THR 45 7.378 5.976 -5.187 370 3HG2 THR 45 3HG2 THR 45 6.666 4.710 -6.184 371 H GLY 46 H GLY 46 5.046 3.972 -7.216 372 1HA GLY 46 2HA GLY 46 4.870 2.480 -9.551 373 2HA GLY 46 1HA GLY 46 6.602 2.604 -9.248 374 H PHE 47 H PHE 47 5.979 2.670 -6.232 375 HA PHE 47 HA PHE 47 6.094 -0.234 -5.918 376 1HB PHE 47 2HB PHE 47 6.605 0.307 -3.602 377 2HB PHE 47 1HB PHE 47 7.546 1.334 -4.676 378 HD1 PHE 47 HD1 PHE 47 7.404 3.688 -4.511 379 HD2 PHE 47 HD2 PHE 47 4.431 1.227 -2.647 380 HE1 PHE 47 HE1 PHE 47 6.468 5.677 -3.377 381 HE2 PHE 47 HE2 PHE 47 3.492 3.214 -1.516 382 HZ PHE 47 HZ PHE 47 4.505 5.437 -1.891 383 H LEU 48 H LEU 48 3.563 2.147 -5.734 384 HA LEU 48 HA LEU 48 1.845 -0.006 -4.568 385 1HB LEU 48 2HB LEU 48 2.264 2.805 -3.861 386 2HB LEU 48 1HB LEU 48 0.576 2.309 -3.893 387 HG LEU 48 HG LEU 48 2.802 1.358 -2.115 388 1HD1 LEU 48 1HD1 LEU 48 -0.031 2.278 -1.855 389 2HD1 LEU 48 2HD1 LEU 48 1.414 2.865 -1.031 390 3HD1 LEU 48 3HD1 LEU 48 0.705 1.316 -0.574 391 1HD2 LEU 48 1HD2 LEU 48 0.547 -0.319 -3.180 392 2HD2 LEU 48 2HD2 LEU 48 1.074 -0.537 -1.512 393 3HD2 LEU 48 3HD2 LEU 48 2.214 -0.785 -2.833 394 H ASN 49 H ASN 49 0.920 -0.770 -6.420 395 HA ASN 49 HA ASN 49 -0.256 1.063 -8.436 396 1HB ASN 49 2HB ASN 49 1.043 -1.352 -8.495 397 2HB ASN 49 1HB ASN 49 -0.637 -1.885 -8.530 398 1HD2 ASN 49 1HD2 ASN 49 -1.967 -0.146 -10.111 399 2HD2 ASN 49 2HD2 ASN 49 -1.255 -0.002 -11.646 400 H ILE 50 H ILE 50 -1.718 1.689 -6.350 401 HA ILE 50 HA ILE 50 -3.705 -0.015 -5.307 402 HB ILE 50 HB ILE 50 -3.682 2.948 -5.885 403 1HG1 ILE 50 2HG1 ILE 50 -1.861 1.975 -4.427 404 2HG1 ILE 50 1HG1 ILE 50 -2.879 3.163 -3.618 405 1HG2 ILE 50 1HG2 ILE 50 -5.987 2.171 -5.496 406 2HG2 ILE 50 2HG2 ILE 50 -5.412 3.107 -4.118 407 3HG2 ILE 50 3HG2 ILE 50 -5.469 1.347 -4.025 408 1HD1 ILE 50 1HD1 ILE 50 -3.626 0.259 -3.464 409 2HD1 ILE 50 2HD1 ILE 50 -3.958 1.558 -2.321 410 3HD1 ILE 50 3HD1 ILE 50 -2.337 0.872 -2.430 411 H LYS 51 H LYS 51 -5.242 -1.174 -6.398 412 HA LYS 51 HA LYS 51 -7.237 0.146 -8.001 413 1HB LYS 51 2HB LYS 51 -6.639 -1.044 -10.156 414 2HB LYS 51 1HB LYS 51 -5.512 0.224 -9.684 415 1HG LYS 51 2HG LYS 51 -3.852 -1.273 -9.094 416 2HG LYS 51 1HG LYS 51 -4.992 -2.571 -8.758 417 1HD LYS 51 2HD LYS 51 -4.343 -1.482 -11.511 418 2HD LYS 51 1HD LYS 51 -3.711 -2.986 -10.841 419 1HE LYS 51 2HE LYS 51 -5.579 -4.082 -11.499 420 2HE LYS 51 1HE LYS 51 -6.588 -2.959 -10.567 421 1HZ LYS 51 1HZ LYS 51 -6.552 -1.399 -12.340 422 2HZ LYS 51 2HZ LYS 51 -6.980 -2.897 -13.018 423 3HZ LYS 51 3HZ LYS 51 -5.402 -2.296 -13.205 424 HA PRO 52 HA PRO 52 -8.912 -3.685 -6.531 425 1HB PRO 52 2HB PRO 52 -11.523 -3.115 -7.065 426 2HB PRO 52 1HB PRO 52 -10.621 -2.374 -5.730 427 1HG PRO 52 2HG PRO 52 -11.535 -1.194 -8.241 428 2HG PRO 52 1HG PRO 52 -11.034 -0.407 -6.742 429 1HD PRO 52 2HD PRO 52 -9.524 -0.755 -9.159 430 2HD PRO 52 1HD PRO 52 -9.052 0.089 -7.670 431 H VAL 53 H VAL 53 -9.960 -5.602 -7.285 432 HA VAL 53 HA VAL 53 -10.566 -5.737 -10.203 433 HB VAL 53 HB VAL 53 -9.442 -7.943 -10.231 434 1HG1 VAL 53 1HG1 VAL 53 -7.567 -5.813 -9.182 435 2HG1 VAL 53 2HG1 VAL 53 -8.290 -5.732 -10.789 436 3HG1 VAL 53 3HG1 VAL 53 -7.219 -7.069 -10.371 437 1HG2 VAL 53 1HG2 VAL 53 -7.823 -8.300 -8.242 438 2HG2 VAL 53 2HG2 VAL 53 -9.524 -8.679 -7.977 439 3HG2 VAL 53 3HG2 VAL 53 -8.853 -7.166 -7.371 440 H ALA 54 H ALA 54 -12.679 -6.180 -10.273 441 HA ALA 54 HA ALA 54 -14.367 -7.124 -8.282 442 1HB ALA 54 1HB ALA 54 -15.348 -6.229 -10.201 443 2HB ALA 54 2HB ALA 54 -15.752 -7.942 -10.322 444 3HB ALA 54 3HB ALA 54 -14.425 -7.278 -11.277 445 H ARG 55 H ARG 55 -15.067 -9.053 -7.529 446 HA ARG 55 HA ARG 55 -14.415 -11.626 -8.755 447 1HB ARG 55 2HB ARG 55 -12.807 -10.378 -6.576 448 2HB ARG 55 1HB ARG 55 -13.197 -12.087 -6.373 449 1HG ARG 55 2HG ARG 55 -12.445 -12.093 -8.974 450 2HG ARG 55 1HG ARG 55 -11.443 -10.772 -8.375 451 1HD ARG 55 2HD ARG 55 -10.121 -12.180 -7.155 452 2HD ARG 55 1HD ARG 55 -11.502 -13.159 -6.622 453 HE ARG 55 HE ARG 55 -11.498 -14.129 -8.977 454 1HH1 ARG 55 1HH1 ARG 55 -9.038 -14.804 -7.180 455 2HH1 ARG 55 2HH1 ARG 55 -7.774 -14.708 -8.360 456 1HH2 ARG 55 1HH2 ARG 55 -9.728 -13.064 -10.706 457 2HH2 ARG 55 2HH2 ARG 55 -8.165 -13.722 -10.356 458 H GLN 56 H GLN 56 -16.771 -11.710 -8.526 459 HA GLN 56 HA GLN 56 -18.263 -11.237 -6.198 460 1HB GLN 56 2HB GLN 56 -19.890 -12.798 -7.237 461 2HB GLN 56 1HB GLN 56 -19.232 -11.625 -8.377 462 1HG GLN 56 2HG GLN 56 -17.422 -13.602 -8.699 463 2HG GLN 56 1HG GLN 56 -18.823 -14.570 -8.241 464 1HE2 GLN 56 1HE2 GLN 56 -18.339 -11.639 -10.309 465 2HE2 GLN 56 2HE2 GLN 56 -19.224 -12.248 -11.623 466 H ALA 57 H ALA 57 -19.620 -13.350 -5.372 467 HA ALA 57 HA ALA 57 -17.842 -14.615 -3.487 468 1HB ALA 57 1HB ALA 57 -20.730 -14.493 -4.147 469 2HB ALA 57 2HB ALA 57 -19.915 -14.243 -2.604 470 3HB ALA 57 3HB ALA 57 -20.203 -15.880 -3.195 471 H ARG 58 H ARG 58 -18.702 -17.141 -3.172 472 HA ARG 58 HA ARG 58 -18.705 -18.833 -5.518 473 1HB ARG 58 2HB ARG 58 -16.360 -19.423 -5.549 474 2HB ARG 58 1HB ARG 58 -16.387 -17.663 -5.461 475 1HG ARG 58 2HG ARG 58 -15.992 -19.569 -3.151 476 2HG ARG 58 1HG ARG 58 -14.774 -18.524 -3.861 477 1HD ARG 58 2HD ARG 58 -15.385 -17.037 -2.267 478 2HD ARG 58 1HD ARG 58 -16.828 -16.764 -3.213 479 HE ARG 58 HE ARG 58 -17.076 -19.123 -1.550 480 1HH1 ARG 58 1HH1 ARG 58 -17.501 -15.690 -1.759 481 2HH1 ARG 58 2HH1 ARG 58 -18.463 -15.604 -0.324 482 1HH2 ARG 58 1HH2 ARG 58 -18.221 -18.982 0.389 483 2HH2 ARG 58 2HH2 ARG 58 -18.868 -17.455 0.886 484 H LYS 59 H LYS 59 -17.045 -20.897 -4.200 485 HA LYS 59 HA LYS 59 -17.563 -21.369 -1.483 486 1HB LYS 59 2HB LYS 59 -19.567 -22.918 -1.724 487 2HB LYS 59 1HB LYS 59 -19.899 -21.197 -1.885 488 1HG LYS 59 2HG LYS 59 -20.141 -21.336 -4.228 489 2HG LYS 59 1HG LYS 59 -19.296 -22.881 -4.313 490 1HD LYS 59 2HD LYS 59 -21.546 -23.510 -4.557 491 2HD LYS 59 1HD LYS 59 -21.254 -23.765 -2.836 492 1HE LYS 59 2HE LYS 59 -22.006 -21.117 -2.874 493 2HE LYS 59 1HE LYS 59 -23.022 -21.809 -4.154 494 1HZ LYS 59 1HZ LYS 59 -22.657 -23.068 -1.492 495 2HZ LYS 59 2HZ LYS 59 -23.769 -23.510 -2.697 496 3HZ LYS 59 3HZ LYS 59 -23.956 -22.041 -1.863 497 H GLY 60 H GLY 60 -15.452 -22.291 -2.082 498 1HA GLY 60 2HA GLY 60 -14.003 -24.000 -2.833 499 2HA GLY 60 1HA GLY 60 -15.166 -25.006 -1.975 500 H PHE 61 H PHE 61 -15.436 -23.191 -5.082 501 HA PHE 61 HA PHE 61 -16.606 -25.628 -6.212 502 1HB PHE 61 2HB PHE 61 -17.803 -24.216 -7.563 503 2HB PHE 61 1HB PHE 61 -17.287 -22.998 -6.394 504 HD1 PHE 61 HD1 PHE 61 -16.010 -24.746 -9.498 505 HD2 PHE 61 HD2 PHE 61 -16.122 -21.141 -7.167 506 HE1 PHE 61 HE1 PHE 61 -14.655 -23.596 -11.201 507 HE2 PHE 61 HE2 PHE 61 -14.781 -19.986 -8.890 508 HZ PHE 61 HZ PHE 61 -14.040 -21.211 -10.906 509 H ASN 62 H ASN 62 -15.919 -26.700 -7.997 510 HA ASN 62 HA ASN 62 -13.431 -25.831 -9.303 511 1HB ASN 62 2HB ASN 62 -12.317 -27.907 -8.786 512 2HB ASN 62 1HB ASN 62 -12.926 -27.204 -7.288 513 1HD2 ASN 62 1HD2 ASN 62 -14.238 -28.545 -6.019 514 2HD2 ASN 62 2HD2 ASN 62 -14.953 -29.986 -6.557 515 HA PRO 63 HA PRO 63 -15.842 -29.013 -11.968 516 1HB PRO 63 2HB PRO 63 -18.532 -28.537 -12.086 517 2HB PRO 63 1HB PRO 63 -17.815 -29.716 -10.969 518 1HG PRO 63 2HG PRO 63 -18.794 -26.968 -10.445 519 2HG PRO 63 1HG PRO 63 -18.863 -28.408 -9.421 520 1HD PRO 63 2HD PRO 63 -17.063 -26.362 -9.111 521 2HD PRO 63 1HD PRO 63 -16.808 -28.025 -8.531 522 H GLN 64 H GLN 64 -16.161 -25.679 -11.375 523 HA GLN 64 HA GLN 64 -17.092 -24.945 -14.063 524 1HB GLN 64 2HB GLN 64 -17.049 -23.872 -11.443 525 2HB GLN 64 1HB GLN 64 -16.077 -22.789 -12.432 526 1HG GLN 64 2HG GLN 64 -17.918 -22.642 -14.081 527 2HG GLN 64 1HG GLN 64 -18.897 -23.698 -13.063 528 1HE2 GLN 64 1HE2 GLN 64 -17.073 -20.590 -12.853 529 2HE2 GLN 64 2HE2 GLN 64 -18.154 -19.861 -11.767 530 H THR 65 H THR 65 -14.571 -22.922 -12.792 531 HA THR 65 HA THR 65 -12.857 -23.509 -15.095 532 HB THR 65 HB THR 65 -11.570 -21.812 -13.216 533 HG1 THR 65 HG1 THR 65 -13.163 -20.490 -12.534 534 1HG2 THR 65 1HG2 THR 65 -11.812 -21.695 -15.768 535 2HG2 THR 65 2HG2 THR 65 -11.880 -20.164 -14.895 536 3HG2 THR 65 3HG2 THR 65 -13.367 -20.918 -15.469 537 H GLN 66 H GLN 66 -13.311 -25.027 -12.193 538 HA GLN 66 HA GLN 66 -12.137 -26.760 -11.169 539 1HB GLN 66 2HB GLN 66 -11.063 -26.571 -13.708 540 2HB GLN 66 1HB GLN 66 -9.639 -26.430 -12.677 541 1HG GLN 66 2HG GLN 66 -9.742 -28.719 -12.731 542 2HG GLN 66 1HG GLN 66 -10.897 -28.466 -11.422 543 1HE2 GLN 66 1HE2 GLN 66 -13.033 -27.380 -13.146 544 2HE2 GLN 66 2HE2 GLN 66 -13.620 -28.678 -14.067 545 H GLU 67 H GLU 67 -11.690 -26.223 -9.214 546 HA GLU 67 HA GLU 67 -9.542 -25.865 -7.762 547 1HB GLU 67 2HB GLU 67 -9.879 -23.386 -9.425 548 2HB GLU 67 1HB GLU 67 -9.331 -23.186 -7.764 549 1HG GLU 67 2HG GLU 67 -7.365 -24.397 -8.110 550 2HG GLU 67 1HG GLU 67 -8.016 -25.244 -9.514 551 H ALA 68 H ALA 68 -11.292 -26.495 -6.260 552 HA ALA 68 HA ALA 68 -13.689 -25.251 -5.689 553 1HB ALA 68 1HB ALA 68 -13.393 -26.988 -4.285 554 2HB ALA 68 2HB ALA 68 -12.755 -25.768 -3.182 555 3HB ALA 68 3HB ALA 68 -11.653 -26.725 -4.173 556 H LEU 69 H LEU 69 -13.875 -23.021 -5.844 557 HA LEU 69 HA LEU 69 -11.950 -21.294 -4.347 558 1HB LEU 69 2HB LEU 69 -14.242 -20.547 -6.189 559 2HB LEU 69 1HB LEU 69 -12.905 -19.511 -5.692 560 HG LEU 69 HG LEU 69 -12.769 -21.971 -7.445 561 1HD1 LEU 69 1HD1 LEU 69 -12.623 -20.542 -9.170 562 2HD1 LEU 69 2HD1 LEU 69 -11.437 -19.540 -8.334 563 3HD1 LEU 69 3HD1 LEU 69 -13.159 -19.288 -8.052 564 1HD2 LEU 69 1HD2 LEU 69 -10.312 -21.555 -7.505 565 2HD2 LEU 69 2HD2 LEU 69 -10.867 -22.008 -5.894 566 3HD2 LEU 69 3HD2 LEU 69 -10.512 -20.321 -6.262 567 H GLU 70 H GLU 70 -12.524 -20.149 -2.534 568 HA GLU 70 HA GLU 70 -15.402 -20.138 -1.659 569 1HB GLU 70 2HB GLU 70 -13.997 -21.975 -0.645 570 2HB GLU 70 1HB GLU 70 -12.969 -20.730 0.063 571 1HG GLU 70 2HG GLU 70 -15.704 -20.076 0.632 572 2HG GLU 70 1HG GLU 70 -15.426 -21.758 1.083 573 H ILE 71 H ILE 71 -13.318 -18.078 -2.763 574 HA ILE 71 HA ILE 71 -12.505 -16.235 -0.755 575 HB ILE 71 HB ILE 71 -12.382 -14.696 -2.684 576 1HG1 ILE 71 2HG1 ILE 71 -13.154 -16.164 -4.881 577 2HG1 ILE 71 1HG1 ILE 71 -14.421 -16.545 -3.726 578 1HG2 ILE 71 1HG2 ILE 71 -11.420 -17.491 -2.759 579 2HG2 ILE 71 2HG2 ILE 71 -10.513 -15.984 -2.881 580 3HG2 ILE 71 3HG2 ILE 71 -11.347 -16.627 -4.295 581 1HD1 ILE 71 1HD1 ILE 71 -13.651 -13.691 -3.872 582 2HD1 ILE 71 2HD1 ILE 71 -15.251 -14.417 -3.730 583 3HD1 ILE 71 3HD1 ILE 71 -14.454 -14.338 -5.302 584 H ALA 72 H ALA 72 -13.910 -13.864 -1.919 585 HA ALA 72 HA ALA 72 -16.611 -14.222 -0.706 586 1HB ALA 72 1HB ALA 72 -14.394 -12.286 -0.063 587 2HB ALA 72 2HB ALA 72 -15.310 -13.316 1.038 588 3HB ALA 72 3HB ALA 72 -16.071 -11.895 0.321 589 HA PRO 73 HA PRO 73 -18.086 -11.822 -4.116 590 1HB PRO 73 2HB PRO 73 -20.276 -10.673 -2.954 591 2HB PRO 73 1HB PRO 73 -20.209 -12.392 -3.391 592 1HG PRO 73 2HG PRO 73 -19.865 -11.101 -0.733 593 2HG PRO 73 1HG PRO 73 -20.671 -12.620 -1.156 594 1HD PRO 73 2HD PRO 73 -18.164 -12.484 -0.070 595 2HD PRO 73 1HD PRO 73 -18.717 -13.816 -1.105 596 H SER 74 H SER 74 -16.404 -10.251 -4.306 597 HA SER 74 HA SER 74 -17.094 -7.510 -3.818 598 1HB SER 74 2HB SER 74 -15.665 -9.018 -1.702 599 2HB SER 74 1HB SER 74 -14.990 -7.438 -2.086 600 HG SER 74 HG SER 74 -17.391 -8.128 -0.903 601 H VAL 75 H VAL 75 -15.391 -6.053 -4.640 602 HA VAL 75 HA VAL 75 -13.812 -7.091 -6.758 603 HB VAL 75 HB VAL 75 -14.477 -4.594 -5.679 604 1HG1 VAL 75 1HG1 VAL 75 -12.404 -3.410 -5.331 605 2HG1 VAL 75 2HG1 VAL 75 -11.456 -4.837 -5.733 606 3HG1 VAL 75 3HG1 VAL 75 -12.406 -4.801 -4.247 607 1HG2 VAL 75 1HG2 VAL 75 -13.529 -3.700 -7.691 608 2HG2 VAL 75 2HG2 VAL 75 -14.136 -5.304 -8.093 609 3HG2 VAL 75 3HG2 VAL 75 -12.409 -5.052 -7.841 610 H GLY 76 H GLY 76 -11.247 -6.743 -6.687 611 1HA GLY 76 2HA GLY 76 -10.312 -8.087 -4.185 612 2HA GLY 76 1HA GLY 76 -9.591 -8.353 -5.776 613 H VAL 77 H VAL 77 -7.549 -7.635 -5.118 614 HA VAL 77 HA VAL 77 -7.302 -4.666 -4.988 615 HB VAL 77 HB VAL 77 -5.819 -6.536 -3.103 616 1HG1 VAL 77 1HG1 VAL 77 -6.432 -3.798 -2.266 617 2HG1 VAL 77 2HG1 VAL 77 -5.508 -3.855 -3.763 618 3HG1 VAL 77 3HG1 VAL 77 -4.879 -4.634 -2.312 619 1HG2 VAL 77 1HG2 VAL 77 -7.475 -5.740 -1.353 620 2HG2 VAL 77 2HG2 VAL 77 -8.153 -6.849 -2.545 621 3HG2 VAL 77 3HG2 VAL 77 -8.468 -5.118 -2.671 622 H SER 78 H SER 78 -6.525 -4.974 -7.125 623 HA SER 78 HA SER 78 -4.486 -6.696 -8.039 624 1HB SER 78 2HB SER 78 -5.914 -4.324 -8.888 625 2HB SER 78 1HB SER 78 -4.230 -4.246 -9.397 626 HG SER 78 HG SER 78 -4.478 -6.255 -10.373 627 H VAL 79 H VAL 79 -4.200 -3.436 -6.637 628 HA VAL 79 HA VAL 79 -1.562 -2.785 -7.045 629 HB VAL 79 HB VAL 79 -3.325 -1.528 -5.842 630 1HG1 VAL 79 1HG1 VAL 79 -4.268 -2.228 -3.903 631 2HG1 VAL 79 2HG1 VAL 79 -2.727 -2.781 -3.244 632 3HG1 VAL 79 3HG1 VAL 79 -3.626 -3.805 -4.364 633 1HG2 VAL 79 1HG2 VAL 79 -1.087 -1.731 -3.861 634 2HG2 VAL 79 2HG2 VAL 79 -1.865 -0.292 -4.521 635 3HG2 VAL 79 3HG2 VAL 79 -0.718 -1.200 -5.499 636 H LYS 80 H LYS 80 0.226 -2.763 -5.370 637 HA LYS 80 HA LYS 80 0.588 -4.766 -3.373 638 1HB LYS 80 2HB LYS 80 2.095 -6.234 -4.816 639 2HB LYS 80 1HB LYS 80 0.393 -6.306 -5.250 640 1HG LYS 80 2HG LYS 80 1.471 -6.058 -7.325 641 2HG LYS 80 1HG LYS 80 0.969 -4.414 -6.937 642 1HD LYS 80 2HD LYS 80 3.113 -3.695 -6.586 643 2HD LYS 80 1HD LYS 80 3.633 -5.242 -5.918 644 1HE LYS 80 2HE LYS 80 4.752 -5.065 -8.030 645 2HE LYS 80 1HE LYS 80 3.383 -6.154 -8.332 646 1HZ LYS 80 1HZ LYS 80 2.084 -4.355 -9.142 647 2HZ LYS 80 2HZ LYS 80 3.578 -4.275 -9.947 648 3HZ LYS 80 3HZ LYS 80 3.238 -3.208 -8.667 649 HA PRO 81 HA PRO 81 4.359 -2.425 -2.997 650 1HB PRO 81 2HB PRO 81 6.196 -4.273 -2.172 651 2HB PRO 81 1HB PRO 81 4.886 -3.693 -1.125 652 1HG PRO 81 2HG PRO 81 5.125 -6.242 -2.622 653 2HG PRO 81 1HG PRO 81 4.376 -5.918 -1.052 654 1HD PRO 81 2HD PRO 81 2.995 -6.236 -3.419 655 2HD PRO 81 1HD PRO 81 2.363 -5.403 -1.991 656 H GLY 82 H GLY 82 5.264 -1.705 -4.911 657 1HA GLY 82 2HA GLY 82 6.216 -3.572 -6.954 658 2HA GLY 82 1HA GLY 82 6.265 -1.813 -7.059 659 H GLU 83 H GLU 83 8.508 -2.548 -7.948 660 HA GLU 83 HA GLU 83 10.495 -3.388 -5.986 661 1HB GLU 83 2HB GLU 83 12.048 -2.897 -7.871 662 2HB GLU 83 1HB GLU 83 10.700 -3.929 -8.348 663 1HG GLU 83 2HG GLU 83 9.849 -1.233 -8.690 664 2HG GLU 83 1HG GLU 83 11.452 -1.365 -9.412 665 H SER 84 H SER 84 9.214 -0.306 -7.074 666 HA SER 84 HA SER 84 11.303 1.488 -6.534 667 1HB SER 84 2HB SER 84 8.363 1.466 -6.532 668 2HB SER 84 1HB SER 84 9.040 2.688 -5.460 669 HG SER 84 HG SER 84 9.917 3.691 -7.134 670 H LEU 85 H LEU 85 9.160 -0.203 -4.296 671 HA LEU 85 HA LEU 85 10.272 1.044 -1.888 672 1HB LEU 85 2HB LEU 85 8.016 -0.464 -2.676 673 2HB LEU 85 1HB LEU 85 8.888 -1.486 -1.546 674 HG LEU 85 HG LEU 85 7.381 -0.198 -0.224 675 1HD1 LEU 85 1HD1 LEU 85 9.645 -0.314 0.725 676 2HD1 LEU 85 2HD1 LEU 85 8.879 1.218 1.136 677 3HD1 LEU 85 3HD1 LEU 85 10.093 1.154 -0.135 678 1HD2 LEU 85 1HD2 LEU 85 7.811 2.455 -0.495 679 2HD2 LEU 85 2HD2 LEU 85 6.569 1.582 -1.378 680 3HD2 LEU 85 3HD2 LEU 85 8.112 1.931 -2.152 681 H LYS 86 H LYS 86 10.668 -1.944 -3.723 682 HA LYS 86 HA LYS 86 12.380 -3.239 -1.788 683 1HB LYS 86 2HB LYS 86 11.026 -3.838 -4.180 684 2HB LYS 86 1HB LYS 86 12.733 -4.079 -4.547 685 1HG LYS 86 2HG LYS 86 12.890 -5.469 -2.437 686 2HG LYS 86 1HG LYS 86 11.131 -5.375 -2.328 687 1HD LYS 86 2HD LYS 86 11.467 -6.121 -4.944 688 2HD LYS 86 1HD LYS 86 12.819 -6.950 -4.168 689 1HE LYS 86 2HE LYS 86 11.212 -8.551 -3.758 690 2HE LYS 86 1HE LYS 86 10.826 -7.494 -2.385 691 1HZ LYS 86 1HZ LYS 86 9.608 -7.418 -5.094 692 2HZ LYS 86 2HZ LYS 86 9.348 -6.235 -3.904 693 3HZ LYS 86 3HZ LYS 86 8.833 -7.832 -3.643 694 H LYS 87 H LYS 87 12.883 -1.110 -4.511 695 HA LYS 87 HA LYS 87 15.736 -1.513 -4.661 696 1HB LYS 87 2HB LYS 87 14.421 -0.633 -6.537 697 2HB LYS 87 1HB LYS 87 13.871 0.719 -5.548 698 1HG LYS 87 2HG LYS 87 16.350 1.330 -5.274 699 2HG LYS 87 1HG LYS 87 16.662 0.187 -6.581 700 1HD LYS 87 2HD LYS 87 15.661 1.514 -8.169 701 2HD LYS 87 1HD LYS 87 14.500 2.188 -7.025 702 1HE LYS 87 2HE LYS 87 16.881 3.144 -6.020 703 2HE LYS 87 1HE LYS 87 17.171 3.185 -7.770 704 1HZ LYS 87 1HZ LYS 87 14.965 4.230 -8.023 705 2HZ LYS 87 2HZ LYS 87 16.041 5.191 -7.127 706 3HZ LYS 87 3HZ LYS 87 14.823 4.310 -6.335 707 H ALA 88 H ALA 88 13.528 0.722 -3.033 708 HA ALA 88 HA ALA 88 15.585 2.323 -1.778 709 1HB ALA 88 1HB ALA 88 13.735 3.297 -0.732 710 2HB ALA 88 2HB ALA 88 12.914 1.748 -0.536 711 3HB ALA 88 3HB ALA 88 12.940 2.538 -2.111 712 H ALA 89 H ALA 89 13.885 -0.688 -1.053 713 HA ALA 89 HA ALA 89 14.770 -1.055 1.640 714 1HB ALA 89 1HB ALA 89 13.180 -2.619 1.025 715 2HB ALA 89 2HB ALA 89 14.612 -3.584 0.665 716 3HB ALA 89 3HB ALA 89 13.786 -2.718 -0.628 717 H GLU 90 H GLU 90 16.290 -1.954 -1.450 718 HA GLU 90 HA GLU 90 18.603 -3.219 -0.348 719 1HB GLU 90 2HB GLU 90 18.904 -3.437 -2.592 720 2HB GLU 90 1HB GLU 90 17.587 -2.303 -2.873 721 1HG GLU 90 2HG GLU 90 19.134 -0.415 -2.741 722 2HG GLU 90 1HG GLU 90 20.464 -1.503 -2.341 723 H GLY 91 H GLY 91 17.532 0.073 -0.573 724 1HA GLY 91 2HA GLY 91 20.085 1.348 -0.130 725 2HA GLY 91 1HA GLY 91 18.510 2.115 -0.002 726 H LEU 92 H LEU 92 17.425 0.376 2.202 727 HA LEU 92 HA LEU 92 18.452 1.854 4.406 728 1HB LEU 92 2HB LEU 92 17.279 0.157 5.783 729 2HB LEU 92 1HB LEU 92 16.306 0.667 4.415 730 HG LEU 92 HG LEU 92 17.715 -1.440 3.361 731 1HD1 LEU 92 1HD1 LEU 92 18.031 -3.121 4.901 732 2HD1 LEU 92 2HD1 LEU 92 16.732 -2.546 5.946 733 3HD1 LEU 92 3HD1 LEU 92 18.297 -1.735 5.959 734 1HD2 LEU 92 1HD2 LEU 92 15.158 -2.074 4.736 735 2HD2 LEU 92 2HD2 LEU 92 15.626 -2.324 3.054 736 3HD2 LEU 92 3HD2 LEU 92 15.131 -0.726 3.603 737 H LYS 93 H LYS 93 19.262 -1.463 3.463 738 HA LYS 93 HA LYS 93 21.986 -1.558 3.866 739 1HB LYS 93 2HB LYS 93 20.502 -1.205 6.392 740 2HB LYS 93 1HB LYS 93 21.575 -2.600 6.418 741 1HG LYS 93 2HG LYS 93 22.601 0.008 5.346 742 2HG LYS 93 1HG LYS 93 22.509 -0.233 7.091 743 1HD LYS 93 2HD LYS 93 24.001 -2.069 7.030 744 2HD LYS 93 1HD LYS 93 23.815 -2.270 5.288 745 1HE LYS 93 2HE LYS 93 24.864 0.358 6.271 746 2HE LYS 93 1HE LYS 93 25.961 -1.038 6.283 747 1HZ LYS 93 1HZ LYS 93 25.333 -1.492 3.982 748 2HZ LYS 93 2HZ LYS 93 26.017 0.057 4.131 749 3HZ LYS 93 3HZ LYS 93 24.335 -0.121 3.969 750 H TYR 94 H TYR 94 20.042 -2.889 2.413 751 HA TYR 94 HA TYR 94 18.842 -5.220 2.979 752 1HB TYR 94 2HB TYR 94 19.774 -4.042 0.763 753 2HB TYR 94 1HB TYR 94 20.905 -5.385 0.835 754 HD1 TYR 94 HD1 TYR 94 17.229 -4.789 1.315 755 HD2 TYR 94 HD2 TYR 94 20.291 -7.362 -0.239 756 HE1 TYR 94 HE1 TYR 94 15.517 -6.254 0.340 757 HE2 TYR 94 HE2 TYR 94 18.570 -8.836 -1.208 758 HH TYR 94 HH TYR 94 15.121 -8.248 -0.632 759 H GLU 95 H GLU 95 22.236 -5.531 1.997 760 HA GLU 95 HA GLU 95 22.697 -8.113 2.825 761 1HB GLU 95 2HB GLU 95 24.580 -5.749 3.012 762 2HB GLU 95 1HB GLU 95 25.072 -7.440 2.935 763 1HG GLU 95 2HG GLU 95 24.808 -7.512 0.695 764 2HG GLU 95 1HG GLU 95 23.216 -6.759 0.790 765 H ASP 96 H ASP 96 22.736 -5.199 4.817 766 HA ASP 96 HA ASP 96 23.735 -6.465 7.230 767 1HB ASP 96 2HB ASP 96 23.138 -3.902 6.305 768 2HB ASP 96 1HB ASP 96 21.942 -4.172 7.572 769 H PHE 97 H PHE 97 20.584 -6.067 5.728 770 HA PHE 97 HA PHE 97 19.161 -7.213 8.075 771 1HB PHE 97 2HB PHE 97 18.612 -5.558 5.730 772 2HB PHE 97 1HB PHE 97 17.448 -6.870 5.873 773 HD1 PHE 97 HD1 PHE 97 19.234 -4.528 8.205 774 HD2 PHE 97 HD2 PHE 97 15.520 -6.348 7.048 775 HE1 PHE 97 HE1 PHE 97 18.066 -3.288 10.005 776 HE2 PHE 97 HE2 PHE 97 14.351 -5.110 8.849 777 HZ PHE 97 HZ PHE 97 15.624 -3.579 10.332 778 H ALA 98 H ALA 98 20.890 -8.264 5.427 779 HA ALA 98 HA ALA 98 19.209 -10.543 4.646 780 1HB ALA 98 1HB ALA 98 20.443 -10.143 2.786 781 2HB ALA 98 2HB ALA 98 21.883 -10.659 3.652 782 3HB ALA 98 3HB ALA 98 21.400 -8.965 3.669 783 H LYS 99 H LYS 99 22.148 -9.919 6.525 784 HA LYS 99 HA LYS 99 22.175 -12.804 7.351 785 1HB LYS 99 2HB LYS 99 24.361 -10.718 7.082 786 2HB LYS 99 1HB LYS 99 24.619 -12.321 7.770 787 1HG LYS 99 2HG LYS 99 23.910 -13.372 5.679 788 2HG LYS 99 1HG LYS 99 23.553 -11.791 4.982 789 1HD LYS 99 2HD LYS 99 25.899 -11.143 5.141 790 2HD LYS 99 1HD LYS 99 26.291 -12.660 5.953 791 1HE LYS 99 2HE LYS 99 25.005 -12.638 3.214 792 2HE LYS 99 1HE LYS 99 26.767 -12.570 3.419 793 1HZ LYS 99 1HZ LYS 99 26.561 -14.515 4.919 794 2HZ LYS 99 2HZ LYS 99 26.122 -14.858 3.314 795 3HZ LYS 99 3HZ LYS 99 24.923 -14.635 4.497 796 1H MET 1 1H MET 1 -4.483 6.561 -11.188 797 2H MET 1 2H MET 1 -4.582 7.814 -12.330 798 3H MET 1 3H MET 1 -5.899 7.486 -11.309 799 HA MET 1 HA MET 1 -4.407 9.477 -10.734 800 1HB MET 1 2HB MET 1 -5.704 7.337 -9.189 801 2HB MET 1 1HB MET 1 -4.550 8.278 -8.246 802 1HG MET 1 2HG MET 1 -5.693 10.319 -8.691 803 2HG MET 1 1HG MET 1 -6.664 9.581 -9.965 804 1HE MET 1 1HE MET 1 -7.026 10.475 -5.964 805 2HE MET 1 2HE MET 1 -5.537 9.779 -6.596 806 3HE MET 1 3HE MET 1 -6.582 8.811 -5.561 807 H ASN 2 H ASN 2 -2.455 9.969 -9.378 808 HA ASN 2 HA ASN 2 -0.618 7.869 -8.657 809 1HB ASN 2 2HB ASN 2 1.045 8.284 -10.439 810 2HB ASN 2 1HB ASN 2 -0.493 7.753 -11.117 811 1HD2 ASN 2 1HD2 ASN 2 1.052 9.119 -12.893 812 2HD2 ASN 2 2HD2 ASN 2 0.498 10.709 -13.110 813 H LYS 3 H LYS 3 1.815 9.274 -9.014 814 HA LYS 3 HA LYS 3 2.053 10.838 -6.711 815 1HB LYS 3 2HB LYS 3 3.658 9.958 -8.781 816 2HB LYS 3 1HB LYS 3 3.730 11.709 -8.975 817 1HG LYS 3 2HG LYS 3 5.042 11.942 -7.147 818 2HG LYS 3 1HG LYS 3 3.969 10.942 -6.171 819 1HD LYS 3 2HD LYS 3 5.061 8.940 -6.802 820 2HD LYS 3 1HD LYS 3 5.826 9.695 -8.198 821 1HE LYS 3 2HE LYS 3 6.486 10.502 -5.335 822 2HE LYS 3 1HE LYS 3 7.411 9.289 -6.238 823 1HZ LYS 3 1HZ LYS 3 6.961 12.129 -6.972 824 2HZ LYS 3 2HZ LYS 3 7.554 10.977 -8.069 825 3HZ LYS 3 3HZ LYS 3 8.439 11.357 -6.671 826 H THR 4 H THR 4 0.406 11.740 -9.602 827 HA THR 4 HA THR 4 0.549 14.640 -8.845 828 HB THR 4 HB THR 4 0.040 13.179 -11.448 829 HG1 THR 4 HG1 THR 4 2.210 13.523 -10.722 830 1HG2 THR 4 1HG2 THR 4 -0.558 15.987 -10.628 831 2HG2 THR 4 2HG2 THR 4 -1.399 14.950 -11.781 832 3HG2 THR 4 3HG2 THR 4 0.116 15.730 -12.237 833 H GLU 5 H GLU 5 -1.719 12.358 -10.401 834 HA GLU 5 HA GLU 5 -4.099 13.764 -10.029 835 1HB GLU 5 2HB GLU 5 -3.339 11.322 -10.962 836 2HB GLU 5 1HB GLU 5 -4.181 10.861 -9.484 837 1HG GLU 5 2HG GLU 5 -5.856 10.899 -11.182 838 2HG GLU 5 1HG GLU 5 -6.084 12.387 -10.263 839 H LEU 6 H LEU 6 -2.526 11.496 -7.775 840 HA LEU 6 HA LEU 6 -4.426 11.715 -5.659 841 1HB LEU 6 2HB LEU 6 -1.473 11.125 -5.846 842 2HB LEU 6 1HB LEU 6 -2.299 11.122 -4.288 843 HG LEU 6 HG LEU 6 -3.543 9.599 -6.545 844 1HD1 LEU 6 1HD1 LEU 6 -2.029 7.677 -5.316 845 2HD1 LEU 6 2HD1 LEU 6 -0.906 9.035 -5.328 846 3HD1 LEU 6 3HD1 LEU 6 -1.596 8.450 -6.841 847 1HD2 LEU 6 1HD2 LEU 6 -4.737 8.668 -4.849 848 2HD2 LEU 6 2HD2 LEU 6 -4.112 9.991 -3.865 849 3HD2 LEU 6 3HD2 LEU 6 -3.300 8.427 -3.855 850 H ILE 7 H ILE 7 -1.769 13.892 -6.635 851 HA ILE 7 HA ILE 7 -1.695 15.470 -4.247 852 HB ILE 7 HB ILE 7 -0.474 17.022 -5.496 853 1HG1 ILE 7 2HG1 ILE 7 -0.752 16.980 -8.135 854 2HG1 ILE 7 1HG1 ILE 7 -2.353 16.389 -7.718 855 1HG2 ILE 7 1HG2 ILE 7 0.853 15.769 -7.210 856 2HG2 ILE 7 2HG2 ILE 7 -0.266 14.428 -7.017 857 3HG2 ILE 7 3HG2 ILE 7 0.717 14.954 -5.657 858 1HD1 ILE 7 1HD1 ILE 7 -1.126 19.049 -7.194 859 2HD1 ILE 7 2HD1 ILE 7 -2.227 18.413 -5.973 860 3HD1 ILE 7 3HD1 ILE 7 -2.787 18.646 -7.627 861 H LYS 8 H LYS 8 -3.716 15.582 -7.139 862 HA LYS 8 HA LYS 8 -5.302 17.856 -6.372 863 1HB LYS 8 2HB LYS 8 -6.137 15.402 -7.958 864 2HB LYS 8 1HB LYS 8 -6.834 17.015 -8.073 865 1HG LYS 8 2HG LYS 8 -4.590 17.853 -8.849 866 2HG LYS 8 1HG LYS 8 -4.041 16.177 -8.901 867 1HD LYS 8 2HD LYS 8 -6.244 17.453 -10.537 868 2HD LYS 8 1HD LYS 8 -4.763 16.696 -11.123 869 1HE LYS 8 2HE LYS 8 -5.564 14.497 -10.261 870 2HE LYS 8 1HE LYS 8 -7.074 15.269 -9.749 871 1HZ LYS 8 1HZ LYS 8 -5.979 15.213 -12.513 872 2HZ LYS 8 2HZ LYS 8 -7.374 16.059 -12.037 873 3HZ LYS 8 3HZ LYS 8 -7.338 14.362 -11.961 874 H ALA 9 H ALA 9 -5.421 14.392 -5.673 875 HA ALA 9 HA ALA 9 -7.959 14.164 -4.455 876 1HB ALA 9 1HB ALA 9 -5.980 12.495 -4.933 877 2HB ALA 9 2HB ALA 9 -7.076 12.178 -3.589 878 3HB ALA 9 3HB ALA 9 -5.495 12.898 -3.287 879 H ILE 10 H ILE 10 -4.868 15.365 -3.115 880 HA ILE 10 HA ILE 10 -6.186 15.986 -0.543 881 HB ILE 10 HB ILE 10 -3.437 15.785 -1.719 882 1HG1 ILE 10 2HG1 ILE 10 -2.976 14.700 0.455 883 2HG1 ILE 10 1HG1 ILE 10 -4.609 15.100 0.990 884 1HG2 ILE 10 1HG2 ILE 10 -2.431 17.059 0.156 885 2HG2 ILE 10 2HG2 ILE 10 -4.042 17.565 0.660 886 3HG2 ILE 10 3HG2 ILE 10 -3.400 18.092 -0.895 887 1HD1 ILE 10 1HD1 ILE 10 -4.473 12.774 0.144 888 2HD1 ILE 10 2HD1 ILE 10 -3.934 13.389 -1.420 889 3HD1 ILE 10 3HD1 ILE 10 -5.557 13.760 -0.839 890 H ALA 11 H ALA 11 -4.963 17.468 -3.488 891 HA ALA 11 HA ALA 11 -5.111 20.198 -2.592 892 1HB ALA 11 1HB ALA 11 -5.737 19.387 -5.414 893 2HB ALA 11 2HB ALA 11 -4.177 18.892 -4.761 894 3HB ALA 11 3HB ALA 11 -4.597 20.599 -4.836 895 H GLN 12 H GLN 12 -7.505 17.814 -3.265 896 HA GLN 12 HA GLN 12 -9.634 19.899 -3.462 897 1HB GLN 12 2HB GLN 12 -9.600 16.958 -4.232 898 2HB GLN 12 1HB GLN 12 -10.959 18.054 -4.479 899 1HG GLN 12 2HG GLN 12 -8.517 19.194 -5.559 900 2HG GLN 12 1HG GLN 12 -8.820 17.599 -6.249 901 1HE2 GLN 12 1HE2 GLN 12 -10.139 17.667 -8.064 902 2HE2 GLN 12 2HE2 GLN 12 -11.331 18.836 -8.365 903 H ASP 13 H ASP 13 -8.761 16.796 -1.882 904 HA ASP 13 HA ASP 13 -11.027 16.843 -0.038 905 1HB ASP 13 2HB ASP 13 -8.292 15.508 -0.043 906 2HB ASP 13 1HB ASP 13 -9.522 15.183 1.179 907 H THR 14 H THR 14 -7.922 18.256 -0.329 908 HA THR 14 HA THR 14 -8.067 19.521 2.371 909 HB THR 14 HB THR 14 -5.514 19.568 0.957 910 HG1 THR 14 HG1 THR 14 -6.694 17.051 1.527 911 1HG2 THR 14 1HG2 THR 14 -4.714 18.965 3.012 912 2HG2 THR 14 2HG2 THR 14 -6.106 17.946 3.374 913 3HG2 THR 14 3HG2 THR 14 -6.248 19.701 3.470 914 H GLY 15 H GLY 15 -6.135 20.417 -0.479 915 1HA GLY 15 2HA GLY 15 -6.151 22.335 -1.829 916 2HA GLY 15 1HA GLY 15 -7.860 22.499 -1.436 917 H LEU 16 H LEU 16 -7.046 22.486 1.475 918 HA LEU 16 HA LEU 16 -7.339 24.971 2.400 919 1HB LEU 16 2HB LEU 16 -4.895 24.155 3.661 920 2HB LEU 16 1HB LEU 16 -6.530 24.109 4.307 921 HG LEU 16 HG LEU 16 -6.871 21.963 3.100 922 1HD1 LEU 16 1HD1 LEU 16 -5.131 22.189 1.379 923 2HD1 LEU 16 2HD1 LEU 16 -4.785 20.777 2.352 924 3HD1 LEU 16 3HD1 LEU 16 -3.888 22.265 2.620 925 1HD2 LEU 16 1HD2 LEU 16 -4.652 22.206 5.152 926 2HD2 LEU 16 2HD2 LEU 16 -5.311 20.650 4.660 927 3HD2 LEU 16 3HD2 LEU 16 -6.350 21.833 5.446 928 H THR 17 H THR 17 -4.141 23.896 1.357 929 HA THR 17 HA THR 17 -3.490 26.670 0.497 930 HB THR 17 HB THR 17 -2.687 25.567 2.863 931 HG1 THR 17 HG1 THR 17 -2.086 27.576 2.709 932 1HG2 THR 17 1HG2 THR 17 -0.278 24.951 2.521 933 2HG2 THR 17 2HG2 THR 17 -0.587 24.894 0.794 934 3HG2 THR 17 3HG2 THR 17 -1.422 23.780 1.876 935 H GLN 18 H GLN 18 -3.652 23.387 -0.264 936 HA GLN 18 HA GLN 18 -2.697 22.099 -2.002 937 1HB GLN 18 2HB GLN 18 -1.771 24.755 -3.129 938 2HB GLN 18 1HB GLN 18 -2.297 23.322 -4.015 939 1HG GLN 18 2HG GLN 18 -4.579 23.686 -2.864 940 2HG GLN 18 1HG GLN 18 -3.980 25.301 -2.484 941 1HE2 GLN 18 1HE2 GLN 18 -4.930 23.159 -5.150 942 2HE2 GLN 18 2HE2 GLN 18 -4.987 24.373 -6.336 943 H VAL 19 H VAL 19 -1.307 22.775 0.388 944 HA VAL 19 HA VAL 19 1.138 23.654 0.723 945 HB VAL 19 HB VAL 19 0.269 22.104 2.301 946 1HG1 VAL 19 1HG1 VAL 19 -1.021 20.427 1.520 947 2HG1 VAL 19 2HG1 VAL 19 0.467 19.522 1.262 948 3HG1 VAL 19 3HG1 VAL 19 -0.233 20.462 -0.056 949 1HG2 VAL 19 1HG2 VAL 19 2.255 21.240 2.937 950 2HG2 VAL 19 2HG2 VAL 19 2.889 21.789 1.389 951 3HG2 VAL 19 3HG2 VAL 19 2.290 20.142 1.556 952 H SER 20 H SER 20 1.666 20.415 -0.313 953 HA SER 20 HA SER 20 3.182 21.294 -2.681 954 1HB SER 20 2HB SER 20 4.032 20.075 -0.160 955 2HB SER 20 1HB SER 20 4.576 19.179 -1.559 956 HG SER 20 HG SER 20 4.856 21.898 -1.806 957 H VAL 21 H VAL 21 0.488 19.988 -2.006 958 HA VAL 21 HA VAL 21 -0.087 17.452 -2.174 959 HB VAL 21 HB VAL 21 -1.569 17.924 -4.131 960 1HG1 VAL 21 1HG1 VAL 21 -2.932 19.253 -2.863 961 2HG1 VAL 21 2HG1 VAL 21 -1.660 20.437 -2.558 962 3HG1 VAL 21 3HG1 VAL 21 -1.708 18.936 -1.633 963 1HG2 VAL 21 1HG2 VAL 21 0.089 20.458 -4.238 964 2HG2 VAL 21 2HG2 VAL 21 -1.454 20.258 -5.069 965 3HG2 VAL 21 3HG2 VAL 21 -0.078 19.248 -5.510 966 H SER 22 H SER 22 1.736 19.087 -4.631 967 HA SER 22 HA SER 22 2.261 16.611 -6.182 968 1HB SER 22 2HB SER 22 1.959 18.697 -7.368 969 2HB SER 22 1HB SER 22 3.160 19.501 -6.363 970 HG SER 22 HG SER 22 4.745 18.432 -7.380 971 H LYS 23 H LYS 23 4.013 18.814 -4.014 972 HA LYS 23 HA LYS 23 6.493 17.288 -4.229 973 1HB LYS 23 2HB LYS 23 5.483 19.812 -3.129 974 2HB LYS 23 1HB LYS 23 6.770 19.077 -2.173 975 1HG LYS 23 2HG LYS 23 8.277 19.790 -3.673 976 2HG LYS 23 1HG LYS 23 7.476 18.843 -4.926 977 1HD LYS 23 2HD LYS 23 7.644 21.302 -5.455 978 2HD LYS 23 1HD LYS 23 5.996 20.676 -5.463 979 1HE LYS 23 2HE LYS 23 5.378 21.975 -3.695 980 2HE LYS 23 1HE LYS 23 6.891 21.656 -2.823 981 1HZ LYS 23 1HZ LYS 23 6.487 23.529 -5.093 982 2HZ LYS 23 2HZ LYS 23 8.017 23.089 -4.498 983 3HZ LYS 23 3HZ LYS 23 6.924 23.929 -3.504 984 H MET 24 H MET 24 3.791 17.535 -1.901 985 HA MET 24 HA MET 24 5.258 15.996 0.105 986 1HB MET 24 2HB MET 24 2.609 15.662 0.781 987 2HB MET 24 1HB MET 24 3.623 16.984 1.330 988 1HG MET 24 2HG MET 24 2.486 18.510 0.094 989 2HG MET 24 1HG MET 24 2.398 17.433 -1.298 990 1HE MET 24 1HE MET 24 1.156 14.831 -0.370 991 2HE MET 24 2HE MET 24 1.007 15.831 -1.811 992 3HE MET 24 3HE MET 24 -0.444 15.258 -0.993 993 H LEU 25 H LEU 25 2.802 15.225 -2.426 994 HA LEU 25 HA LEU 25 2.725 12.406 -1.719 995 1HB LEU 25 2HB LEU 25 1.895 14.165 -3.974 996 2HB LEU 25 1HB LEU 25 2.039 12.441 -4.311 997 HG LEU 25 HG LEU 25 0.476 13.575 -1.988 998 1HD1 LEU 25 1HD1 LEU 25 -0.674 12.393 -4.510 999 2HD1 LEU 25 2HD1 LEU 25 -0.359 14.117 -4.360 1000 3HD1 LEU 25 3HD1 LEU 25 -1.500 13.335 -3.269 1001 1HD2 LEU 25 1HD2 LEU 25 -0.546 11.151 -2.356 1002 2HD2 LEU 25 2HD2 LEU 25 0.928 11.369 -1.413 1003 3HD2 LEU 25 3HD2 LEU 25 1.026 10.845 -3.094 1004 H ALA 26 H ALA 26 4.539 14.353 -4.083 1005 HA ALA 26 HA ALA 26 6.053 12.265 -5.278 1006 1HB ALA 26 1HB ALA 26 7.698 14.192 -5.640 1007 2HB ALA 26 2HB ALA 26 6.616 15.181 -4.659 1008 3HB ALA 26 3HB ALA 26 6.050 14.501 -6.185 1009 H SER 27 H SER 27 6.395 14.052 -2.263 1010 HA SER 27 HA SER 27 8.954 12.780 -1.568 1011 1HB SER 27 2HB SER 27 8.816 14.205 0.358 1012 2HB SER 27 1HB SER 27 8.179 15.146 -0.985 1013 HG SER 27 HG SER 27 6.930 14.163 1.258 1014 H PHE 28 H PHE 28 5.522 12.322 -1.021 1015 HA PHE 28 HA PHE 28 5.600 10.615 1.282 1016 1HB PHE 28 2HB PHE 28 3.459 11.286 0.770 1017 2HB PHE 28 1HB PHE 28 3.785 11.311 -0.957 1018 HD1 PHE 28 HD1 PHE 28 3.246 9.436 -2.360 1019 HD2 PHE 28 HD2 PHE 28 3.048 9.050 1.912 1020 HE1 PHE 28 HE1 PHE 28 2.043 7.309 -2.604 1021 HE2 PHE 28 HE2 PHE 28 1.845 6.916 1.661 1022 HZ PHE 28 HZ PHE 28 1.338 6.036 -0.590 1023 H GLU 29 H GLU 29 5.731 9.928 -2.200 1024 HA GLU 29 HA GLU 29 6.058 7.068 -1.827 1025 1HB GLU 29 2HB GLU 29 6.148 9.123 -4.008 1026 2HB GLU 29 1HB GLU 29 6.781 7.507 -4.334 1027 1HG GLU 29 2HG GLU 29 4.730 6.583 -4.304 1028 2HG GLU 29 1HG GLU 29 4.276 7.466 -2.858 1029 H LYS 30 H LYS 30 7.998 9.924 -2.175 1030 HA LYS 30 HA LYS 30 10.559 8.604 -2.458 1031 1HB LYS 30 2HB LYS 30 9.957 11.018 -3.005 1032 2HB LYS 30 1HB LYS 30 9.929 11.317 -1.265 1033 1HG LYS 30 2HG LYS 30 12.243 10.728 -1.035 1034 2HG LYS 30 1HG LYS 30 12.311 10.115 -2.689 1035 1HD LYS 30 2HD LYS 30 13.172 12.201 -3.101 1036 2HD LYS 30 1HD LYS 30 11.464 12.628 -3.192 1037 1HE LYS 30 2HE LYS 30 12.291 14.228 -1.673 1038 2HE LYS 30 1HE LYS 30 11.712 12.956 -0.578 1039 1HZ LYS 30 1HZ LYS 30 14.474 13.120 -1.662 1040 2HZ LYS 30 2HZ LYS 30 13.895 11.993 -0.530 1041 3HZ LYS 30 3HZ LYS 30 14.025 13.634 -0.109 1042 H ILE 31 H ILE 31 8.425 9.420 0.235 1043 HA ILE 31 HA ILE 31 10.538 8.688 2.199 1044 HB ILE 31 HB ILE 31 8.793 9.421 3.817 1045 1HG1 ILE 31 2HG1 ILE 31 7.070 10.945 2.366 1046 2HG1 ILE 31 1HG1 ILE 31 7.207 9.483 1.404 1047 1HG2 ILE 31 1HG2 ILE 31 9.862 11.202 1.674 1048 2HG2 ILE 31 2HG2 ILE 31 10.346 11.090 3.366 1049 3HG2 ILE 31 3HG2 ILE 31 8.829 11.880 2.933 1050 1HD1 ILE 31 1HD1 ILE 31 6.813 8.155 3.519 1051 2HD1 ILE 31 2HD1 ILE 31 5.429 9.100 2.968 1052 3HD1 ILE 31 3HD1 ILE 31 6.418 9.682 4.307 1053 H ILE 32 H ILE 32 7.523 7.590 0.840 1054 HA ILE 32 HA ILE 32 6.983 5.432 2.674 1055 HB ILE 32 HB ILE 32 6.376 5.894 -0.283 1056 1HG1 ILE 32 2HG1 ILE 32 5.362 7.201 1.866 1057 2HG1 ILE 32 1HG1 ILE 32 4.412 6.862 0.423 1058 1HG2 ILE 32 1HG2 ILE 32 4.585 4.072 0.209 1059 2HG2 ILE 32 2HG2 ILE 32 5.636 3.613 1.548 1060 3HG2 ILE 32 3HG2 ILE 32 6.240 3.556 -0.108 1061 1HD1 ILE 32 1HD1 ILE 32 3.308 5.044 1.434 1062 2HD1 ILE 32 2HD1 ILE 32 3.402 6.237 2.730 1063 3HD1 ILE 32 3HD1 ILE 32 4.534 4.885 2.692 1064 H THR 33 H THR 33 8.507 5.556 -0.519 1065 HA THR 33 HA THR 33 9.519 2.900 -0.369 1066 HB THR 33 HB THR 33 9.206 4.894 -2.265 1067 HG1 THR 33 HG1 THR 33 10.826 2.650 -2.716 1068 1HG2 THR 33 1HG2 THR 33 11.376 5.858 -1.662 1069 2HG2 THR 33 2HG2 THR 33 11.427 5.154 -3.278 1070 3HG2 THR 33 3HG2 THR 33 12.145 4.293 -1.918 1071 H GLU 34 H GLU 34 10.852 6.096 0.341 1072 HA GLU 34 HA GLU 34 13.520 5.193 0.988 1073 1HB GLU 34 2HB GLU 34 11.819 7.623 1.457 1074 2HB GLU 34 1HB GLU 34 13.419 7.517 2.182 1075 1HG GLU 34 2HG GLU 34 12.888 7.098 -0.781 1076 2HG GLU 34 1HG GLU 34 13.401 8.640 -0.093 1077 H THR 35 H THR 35 10.549 5.664 2.958 1078 HA THR 35 HA THR 35 11.768 5.409 5.532 1079 HB THR 35 HB THR 35 9.037 4.716 4.423 1080 HG1 THR 35 HG1 THR 35 9.475 6.895 4.672 1081 1HG2 THR 35 1HG2 THR 35 8.755 3.348 6.211 1082 2HG2 THR 35 2HG2 THR 35 8.794 4.810 7.195 1083 3HG2 THR 35 3HG2 THR 35 10.268 3.878 6.946 1084 H VAL 36 H VAL 36 10.254 2.899 3.470 1085 HA VAL 36 HA VAL 36 10.989 0.679 5.102 1086 HB VAL 36 HB VAL 36 10.654 1.149 2.138 1087 1HG1 VAL 36 1HG1 VAL 36 11.857 -0.732 1.758 1088 2HG1 VAL 36 2HG1 VAL 36 10.498 -1.595 2.477 1089 3HG1 VAL 36 3HG1 VAL 36 11.888 -1.156 3.469 1090 1HG2 VAL 36 1HG2 VAL 36 9.050 0.086 4.422 1091 2HG2 VAL 36 2HG2 VAL 36 8.746 -0.588 2.821 1092 3HG2 VAL 36 3HG2 VAL 36 8.555 1.143 3.102 1093 H ALA 37 H ALA 37 12.781 2.587 2.730 1094 HA ALA 37 HA ALA 37 15.235 1.006 2.958 1095 1HB ALA 37 1HB ALA 37 14.820 3.790 1.862 1096 2HB ALA 37 2HB ALA 37 14.435 2.331 0.959 1097 3HB ALA 37 3HB ALA 37 16.099 2.654 1.441 1098 H LYS 38 H LYS 38 13.629 3.156 4.966 1099 HA LYS 38 HA LYS 38 16.148 4.247 6.150 1100 1HB LYS 38 2HB LYS 38 13.677 5.380 5.560 1101 2HB LYS 38 1HB LYS 38 13.559 5.050 7.288 1102 1HG LYS 38 2HG LYS 38 14.766 6.915 7.657 1103 2HG LYS 38 1HG LYS 38 16.141 6.109 6.903 1104 1HD LYS 38 2HD LYS 38 14.023 7.678 5.401 1105 2HD LYS 38 1HD LYS 38 15.621 8.294 5.824 1106 1HE LYS 38 2HE LYS 38 16.077 5.791 4.579 1107 2HE LYS 38 1HE LYS 38 14.877 6.632 3.577 1108 1HZ LYS 38 1HZ LYS 38 17.061 7.365 2.941 1109 2HZ LYS 38 2HZ LYS 38 17.460 7.734 4.551 1110 3HZ LYS 38 3HZ LYS 38 16.276 8.641 3.737 1111 H GLY 39 H GLY 39 13.415 2.153 6.627 1112 1HA GLY 39 2HA GLY 39 13.789 0.192 8.028 1113 2HA GLY 39 1HA GLY 39 14.682 1.228 9.136 1114 H ASP 40 H ASP 40 11.532 1.953 7.624 1115 HA ASP 40 HA ASP 40 10.335 1.740 10.376 1116 1HB ASP 40 2HB ASP 40 10.827 4.059 8.774 1117 2HB ASP 40 1HB ASP 40 9.081 3.830 8.882 1118 H LYS 41 H LYS 41 8.420 0.665 10.435 1119 HA LYS 41 HA LYS 41 7.316 -0.507 7.979 1120 1HB LYS 41 2HB LYS 41 6.744 -0.656 10.949 1121 2HB LYS 41 1HB LYS 41 5.744 -1.499 9.766 1122 1HG LYS 41 2HG LYS 41 7.242 -3.179 9.775 1123 2HG LYS 41 1HG LYS 41 8.417 -2.076 9.061 1124 1HD LYS 41 2HD LYS 41 9.603 -2.511 10.958 1125 2HD LYS 41 1HD LYS 41 8.534 -1.301 11.669 1126 1HE LYS 41 2HE LYS 41 7.438 -2.855 12.929 1127 2HE LYS 41 1HE LYS 41 7.382 -4.022 11.593 1128 1HZ LYS 41 1HZ LYS 41 9.700 -3.396 13.340 1129 2HZ LYS 41 2HZ LYS 41 9.823 -4.311 11.913 1130 3HZ LYS 41 3HZ LYS 41 8.884 -4.877 13.211 1131 H VAL 42 H VAL 42 6.498 1.419 6.925 1132 HA VAL 42 HA VAL 42 4.621 3.216 8.225 1133 HB VAL 42 HB VAL 42 4.308 3.990 5.850 1134 1HG1 VAL 42 1HG1 VAL 42 6.972 4.256 5.564 1135 2HG1 VAL 42 2HG1 VAL 42 6.920 3.711 7.240 1136 3HG1 VAL 42 3HG1 VAL 42 6.050 5.168 6.759 1137 1HG2 VAL 42 1HG2 VAL 42 4.736 2.551 4.172 1138 2HG2 VAL 42 2HG2 VAL 42 5.333 1.357 5.324 1139 3HG2 VAL 42 3HG2 VAL 42 6.438 2.545 4.633 1140 H GLN 43 H GLN 43 2.356 3.224 8.082 1141 HA GLN 43 HA GLN 43 1.045 0.928 6.677 1142 1HB GLN 43 2HB GLN 43 0.466 1.847 9.513 1143 2HB GLN 43 1HB GLN 43 -0.204 0.431 8.703 1144 1HG GLN 43 2HG GLN 43 2.376 -0.174 8.411 1145 2HG GLN 43 1HG GLN 43 2.530 0.853 9.836 1146 1HE2 GLN 43 1HE2 GLN 43 3.193 -1.567 10.575 1147 2HE2 GLN 43 2HE2 GLN 43 1.929 -2.451 11.284 1148 H LEU 44 H LEU 44 -1.427 1.314 6.681 1149 HA LEU 44 HA LEU 44 -2.096 4.229 6.641 1150 1HB LEU 44 2HB LEU 44 -2.668 2.161 4.503 1151 2HB LEU 44 1HB LEU 44 -3.184 3.843 4.473 1152 HG LEU 44 HG LEU 44 -0.295 2.946 4.610 1153 1HD1 LEU 44 1HD1 LEU 44 -2.096 3.198 2.355 1154 2HD1 LEU 44 2HD1 LEU 44 -0.416 2.682 2.367 1155 3HD1 LEU 44 3HD1 LEU 44 -0.812 4.389 2.234 1156 1HD2 LEU 44 1HD2 LEU 44 -1.654 5.468 5.047 1157 2HD2 LEU 44 2HD2 LEU 44 -0.549 5.592 3.679 1158 3HD2 LEU 44 3HD2 LEU 44 0.052 5.079 5.254 1159 H THR 45 H THR 45 -4.620 4.333 6.130 1160 HA THR 45 HA THR 45 -6.111 3.578 8.327 1161 HB THR 45 HB THR 45 -6.872 5.132 6.631 1162 HG1 THR 45 HG1 THR 45 -8.480 3.973 7.789 1163 1HG2 THR 45 1HG2 THR 45 -7.033 2.718 4.806 1164 2HG2 THR 45 2HG2 THR 45 -5.865 4.021 4.689 1165 3HG2 THR 45 3HG2 THR 45 -7.566 4.344 4.394 1166 H GLY 46 H GLY 46 -5.122 1.278 8.607 1167 1HA GLY 46 2HA GLY 46 -5.302 -1.066 8.444 1168 2HA GLY 46 1HA GLY 46 -7.024 -0.705 8.512 1169 H PHE 47 H PHE 47 -5.025 0.336 5.795 1170 HA PHE 47 HA PHE 47 -6.277 -1.827 4.164 1171 1HB PHE 47 2HB PHE 47 -7.273 -0.317 2.784 1172 2HB PHE 47 1HB PHE 47 -7.138 0.732 4.186 1173 HD1 PHE 47 HD1 PHE 47 -5.189 2.315 4.356 1174 HD2 PHE 47 HD2 PHE 47 -6.077 0.143 0.770 1175 HE1 PHE 47 HE1 PHE 47 -3.865 3.924 3.041 1176 HE2 PHE 47 HE2 PHE 47 -4.727 1.747 -0.528 1177 HZ PHE 47 HZ PHE 47 -3.626 3.639 0.633 1178 H LEU 48 H LEU 48 -3.521 0.370 4.569 1179 HA LEU 48 HA LEU 48 -2.014 -1.473 2.766 1180 1HB LEU 48 2HB LEU 48 -2.258 1.474 2.820 1181 2HB LEU 48 1HB LEU 48 -0.678 0.810 2.410 1182 HG LEU 48 HG LEU 48 -3.309 0.373 1.002 1183 1HD1 LEU 48 1HD1 LEU 48 -2.475 1.998 -0.293 1184 2HD1 LEU 48 2HD1 LEU 48 -1.228 0.859 -0.797 1185 3HD1 LEU 48 3HD1 LEU 48 -0.929 1.953 0.553 1186 1HD2 LEU 48 1HD2 LEU 48 -0.899 -1.365 1.112 1187 2HD2 LEU 48 2HD2 LEU 48 -1.586 -1.080 -0.487 1188 3HD2 LEU 48 3HD2 LEU 48 -2.579 -1.793 0.783 1189 H ASN 49 H ASN 49 -0.535 -2.546 3.944 1190 HA ASN 49 HA ASN 49 0.712 -1.155 6.292 1191 1HB ASN 49 2HB ASN 49 -0.410 -3.855 5.756 1192 2HB ASN 49 1HB ASN 49 1.047 -3.811 6.749 1193 1HD2 ASN 49 1HD2 ASN 49 -1.602 -4.525 7.761 1194 2HD2 ASN 49 2HD2 ASN 49 -2.030 -3.352 8.911 1195 H ILE 50 H ILE 50 2.220 -0.413 4.352 1196 HA ILE 50 HA ILE 50 3.985 -2.231 3.044 1197 HB ILE 50 HB ILE 50 4.107 0.656 3.917 1198 1HG1 ILE 50 2HG1 ILE 50 2.590 -0.051 2.054 1199 2HG1 ILE 50 1HG1 ILE 50 3.823 1.099 1.547 1200 1HG2 ILE 50 1HG2 ILE 50 6.234 -0.952 2.490 1201 2HG2 ILE 50 2HG2 ILE 50 6.417 0.067 3.918 1202 3HG2 ILE 50 3HG2 ILE 50 6.124 0.802 2.343 1203 1HD1 ILE 50 1HD1 ILE 50 4.757 -0.380 0.118 1204 2HD1 ILE 50 2HD1 ILE 50 3.311 -1.360 0.348 1205 3HD1 ILE 50 3HD1 ILE 50 4.747 -1.665 1.324 1206 H LYS 51 H LYS 51 5.273 -3.726 4.150 1207 HA LYS 51 HA LYS 51 6.867 -2.629 6.454 1208 1HB LYS 51 2HB LYS 51 6.379 -4.879 7.583 1209 2HB LYS 51 1HB LYS 51 5.021 -3.761 7.475 1210 1HG LYS 51 2HG LYS 51 4.025 -4.960 5.694 1211 2HG LYS 51 1HG LYS 51 5.507 -5.847 5.351 1212 1HD LYS 51 2HD LYS 51 3.990 -6.107 7.957 1213 2HD LYS 51 1HD LYS 51 3.737 -7.180 6.580 1214 1HE LYS 51 2HE LYS 51 6.520 -7.126 6.886 1215 2HE LYS 51 1HE LYS 51 5.892 -7.207 8.544 1216 1HZ LYS 51 1HZ LYS 51 5.057 -8.944 6.280 1217 2HZ LYS 51 2HZ LYS 51 4.407 -8.994 7.850 1218 3HZ LYS 51 3HZ LYS 51 6.030 -9.421 7.584 1219 HA PRO 52 HA PRO 52 9.881 -4.725 3.908 1220 1HB PRO 52 2HB PRO 52 12.089 -3.891 5.258 1221 2HB PRO 52 1HB PRO 52 11.205 -2.863 4.114 1222 1HG PRO 52 2HG PRO 52 11.182 -2.866 7.070 1223 2HG PRO 52 1HG PRO 52 11.034 -1.517 5.936 1224 1HD PRO 52 2HD PRO 52 8.926 -2.684 7.294 1225 2HD PRO 52 1HD PRO 52 8.771 -1.725 5.807 1226 H VAL 53 H VAL 53 10.688 -6.695 4.040 1227 HA VAL 53 HA VAL 53 11.508 -7.867 6.639 1228 HB VAL 53 HB VAL 53 10.217 -9.896 6.063 1229 1HG1 VAL 53 1HG1 VAL 53 8.186 -9.059 6.844 1230 2HG1 VAL 53 2HG1 VAL 53 8.255 -7.640 5.799 1231 3HG1 VAL 53 3HG1 VAL 53 9.261 -7.719 7.245 1232 1HG2 VAL 53 1HG2 VAL 53 9.696 -10.167 3.871 1233 2HG2 VAL 53 2HG2 VAL 53 9.979 -8.462 3.528 1234 3HG2 VAL 53 3HG2 VAL 53 8.406 -8.991 4.123 1235 H ALA 54 H ALA 54 13.591 -8.465 6.277 1236 HA ALA 54 HA ALA 54 14.592 -8.739 3.596 1237 1HB ALA 54 1HB ALA 54 16.746 -9.305 4.869 1238 2HB ALA 54 2HB ALA 54 15.800 -9.061 6.332 1239 3HB ALA 54 3HB ALA 54 16.016 -7.735 5.192 1240 H ARG 55 H ARG 55 15.266 -10.438 2.434 1241 HA ARG 55 HA ARG 55 16.013 -12.987 2.846 1242 1HB ARG 55 2HB ARG 55 14.306 -13.386 4.515 1243 2HB ARG 55 1HB ARG 55 13.038 -12.804 3.438 1244 1HG ARG 55 2HG ARG 55 14.495 -14.931 2.145 1245 2HG ARG 55 1HG ARG 55 13.973 -15.466 3.742 1246 1HD ARG 55 2HD ARG 55 11.726 -15.314 3.209 1247 2HD ARG 55 1HD ARG 55 11.984 -13.989 2.057 1248 HE ARG 55 HE ARG 55 13.283 -16.458 1.221 1249 1HH1 ARG 55 1HH1 ARG 55 10.145 -16.534 1.848 1250 2HH1 ARG 55 2HH1 ARG 55 9.559 -16.475 0.219 1251 1HH2 ARG 55 1HH2 ARG 55 12.624 -15.576 -1.132 1252 2HH2 ARG 55 2HH2 ARG 55 10.963 -15.931 -1.469 1253 H GLN 56 H GLN 56 16.386 -11.769 0.609 1254 HA GLN 56 HA GLN 56 14.682 -13.124 -1.399 1255 1HB GLN 56 2HB GLN 56 14.834 -10.190 -0.852 1256 2HB GLN 56 1HB GLN 56 14.501 -10.754 -2.490 1257 1HG GLN 56 2HG GLN 56 12.784 -12.323 -1.091 1258 2HG GLN 56 1HG GLN 56 12.807 -10.895 -0.056 1259 1HE2 GLN 56 1HE2 GLN 56 10.677 -10.162 -0.653 1260 2HE2 GLN 56 2HE2 GLN 56 10.317 -9.595 -2.211 1261 H ALA 57 H ALA 57 16.450 -14.185 -2.390 1262 HA ALA 57 HA ALA 57 18.438 -12.392 -3.722 1263 1HB ALA 57 1HB ALA 57 20.137 -14.226 -3.008 1264 2HB ALA 57 2HB ALA 57 18.914 -14.676 -1.819 1265 3HB ALA 57 3HB ALA 57 19.613 -13.059 -1.796 1266 H ARG 58 H ARG 58 19.898 -13.910 -5.167 1267 HA ARG 58 HA ARG 58 18.117 -15.323 -7.013 1268 1HB ARG 58 2HB ARG 58 20.885 -14.235 -6.866 1269 2HB ARG 58 1HB ARG 58 20.623 -15.556 -8.001 1270 1HG ARG 58 2HG ARG 58 20.269 -13.412 -9.115 1271 2HG ARG 58 1HG ARG 58 18.746 -14.291 -9.005 1272 1HD ARG 58 2HD ARG 58 18.323 -12.953 -6.838 1273 2HD ARG 58 1HD ARG 58 19.645 -11.903 -7.387 1274 HE ARG 58 HE ARG 58 18.274 -11.816 -9.603 1275 1HH1 ARG 58 1HH2 ARG 58 17.383 -10.777 -6.592 1276 2HH1 ARG 58 2HH2 ARG 58 15.683 -10.680 -6.907 1277 1HH2 ARG 58 1HH1 ARG 58 15.888 -12.308 -9.962 1278 2HH2 ARG 58 2HH1 ARG 58 14.837 -11.548 -8.814 1279 H LYS 59 H LYS 59 18.800 -17.510 -7.828 1280 HA LYS 59 HA LYS 59 20.629 -19.213 -6.424 1281 1HB LYS 59 2HB LYS 59 18.947 -20.514 -5.122 1282 2HB LYS 59 1HB LYS 59 19.039 -18.841 -4.580 1283 1HG LYS 59 2HG LYS 59 17.101 -18.339 -6.143 1284 2HG LYS 59 1HG LYS 59 16.934 -20.080 -6.370 1285 1HD LYS 59 2HD LYS 59 16.341 -20.442 -4.121 1286 2HD LYS 59 1HD LYS 59 17.003 -18.891 -3.601 1287 1HE LYS 59 2HE LYS 59 15.121 -18.063 -5.411 1288 2HE LYS 59 1HE LYS 59 14.340 -19.504 -4.731 1289 1HZ LYS 59 1HZ LYS 59 13.890 -17.599 -3.334 1290 2HZ LYS 59 2HZ LYS 59 15.550 -17.270 -3.188 1291 3HZ LYS 59 3HZ LYS 59 14.898 -18.684 -2.506 1292 H GLY 60 H GLY 60 20.088 -18.836 -9.116 1293 1HA GLY 60 2HA GLY 60 18.470 -21.208 -9.929 1294 2HA GLY 60 1HA GLY 60 18.887 -19.862 -10.989 1295 H PHE 61 H PHE 61 20.715 -20.041 -12.227 1296 HA PHE 61 HA PHE 61 23.021 -21.616 -11.488 1297 1HB PHE 61 2HB PHE 61 22.457 -23.251 -13.535 1298 2HB PHE 61 1HB PHE 61 21.882 -23.592 -11.902 1299 HD1 PHE 61 HD1 PHE 61 19.647 -24.128 -11.690 1300 HD2 PHE 61 HD2 PHE 61 20.850 -21.485 -14.844 1301 HE1 PHE 61 HE1 PHE 61 17.312 -24.003 -12.479 1302 HE2 PHE 61 HE2 PHE 61 18.512 -21.367 -15.633 1303 HZ PHE 61 HZ PHE 61 16.731 -22.625 -14.448 1304 H ASN 62 H ASN 62 24.408 -21.980 -13.666 1305 HA ASN 62 HA ASN 62 24.234 -19.403 -15.146 1306 1HB ASN 62 2HB ASN 62 26.330 -19.555 -14.201 1307 2HB ASN 62 1HB ASN 62 26.382 -21.311 -14.329 1308 1HD2 ASN 62 1HD2 ASN 62 26.397 -18.388 -16.449 1309 2HD2 ASN 62 2HD2 ASN 62 27.430 -19.060 -17.617 1310 HA PRO 63 HA PRO 63 24.896 -22.487 -18.748 1311 1HB PRO 63 2HB PRO 63 24.789 -25.173 -18.206 1312 2HB PRO 63 1HB PRO 63 26.296 -24.235 -18.165 1313 1HG PRO 63 2HG PRO 63 24.547 -25.102 -15.915 1314 2HG PRO 63 1HG PRO 63 26.315 -25.061 -16.019 1315 1HD PRO 63 2HD PRO 63 24.875 -23.177 -14.712 1316 2HD PRO 63 1HD PRO 63 26.426 -22.825 -15.503 1317 H GLN 64 H GLN 64 22.614 -21.405 -18.135 1318 HA GLN 64 HA GLN 64 20.540 -23.104 -19.193 1319 1HB GLN 64 2HB GLN 64 21.077 -23.047 -16.315 1320 2HB GLN 64 1HB GLN 64 19.410 -22.644 -16.718 1321 1HG GLN 64 2HG GLN 64 19.830 -24.772 -18.374 1322 2HG GLN 64 1HG GLN 64 20.837 -25.213 -16.995 1323 1HE2 GLN 64 1HE2 GLN 64 19.666 -24.975 -14.774 1324 2HE2 GLN 64 2HE2 GLN 64 18.026 -25.408 -14.727 1325 H THR 65 H THR 65 21.740 -20.363 -19.399 1326 HA THR 65 HA THR 65 21.044 -18.128 -19.679 1327 HB THR 65 HB THR 65 18.998 -17.982 -20.848 1328 HG1 THR 65 HG1 THR 65 18.055 -20.341 -19.626 1329 1HG2 THR 65 1HG2 THR 65 19.149 -19.695 -22.397 1330 2HG2 THR 65 2HG2 THR 65 19.344 -20.937 -21.160 1331 3HG2 THR 65 3HG2 THR 65 20.697 -19.885 -21.574 1332 H GLN 66 H GLN 66 21.243 -18.840 -16.946 1333 HA GLN 66 HA GLN 66 18.958 -17.296 -15.785 1334 1HB GLN 66 2HB GLN 66 19.627 -19.989 -15.458 1335 2HB GLN 66 1HB GLN 66 20.101 -19.210 -13.957 1336 1HG GLN 66 2HG GLN 66 17.752 -19.944 -13.836 1337 2HG GLN 66 1HG GLN 66 17.865 -18.188 -13.766 1338 1HE2 GLN 66 1HE2 GLN 66 18.270 -20.020 -16.804 1339 2HE2 GLN 66 2HE2 GLN 66 16.844 -19.452 -17.524 1340 H GLU 67 H GLU 67 21.641 -18.643 -13.992 1341 HA GLU 67 HA GLU 67 23.683 -16.833 -13.905 1342 1HB GLU 67 2HB GLU 67 21.165 -15.649 -12.914 1343 2HB GLU 67 1HB GLU 67 22.493 -15.516 -11.763 1344 1HG GLU 67 2HG GLU 67 23.872 -14.359 -13.317 1345 2HG GLU 67 1HG GLU 67 22.820 -14.770 -14.672 1346 H ALA 68 H ALA 68 24.572 -18.851 -13.085 1347 HA ALA 68 HA ALA 68 23.541 -20.129 -10.709 1348 1HB ALA 68 1HB ALA 68 26.134 -20.966 -10.944 1349 2HB ALA 68 2HB ALA 68 25.808 -20.377 -12.569 1350 3HB ALA 68 3HB ALA 68 24.794 -21.634 -11.871 1351 H LEU 69 H LEU 69 23.464 -18.933 -8.925 1352 HA LEU 69 HA LEU 69 25.763 -18.397 -7.344 1353 1HB LEU 69 2HB LEU 69 25.520 -15.770 -7.629 1354 2HB LEU 69 1HB LEU 69 26.520 -16.690 -8.748 1355 HG LEU 69 HG LEU 69 23.793 -16.700 -9.691 1356 1HD1 LEU 69 1HD1 LEU 69 23.175 -14.489 -9.766 1357 2HD1 LEU 69 2HD1 LEU 69 24.840 -13.912 -9.701 1358 3HD1 LEU 69 3HD1 LEU 69 24.045 -14.479 -8.232 1359 1HD2 LEU 69 1HD2 LEU 69 26.520 -15.977 -10.616 1360 2HD2 LEU 69 2HD2 LEU 69 25.193 -15.191 -11.471 1361 3HD2 LEU 69 3HD2 LEU 69 25.288 -16.948 -11.416 1362 H GLU 70 H GLU 70 25.023 -16.276 -5.799 1363 HA GLU 70 HA GLU 70 22.128 -16.390 -5.221 1364 1HB GLU 70 2HB GLU 70 24.306 -17.693 -3.589 1365 2HB GLU 70 1HB GLU 70 22.832 -17.123 -2.807 1366 1HG GLU 70 2HG GLU 70 21.708 -18.443 -4.852 1367 2HG GLU 70 1HG GLU 70 23.208 -19.365 -4.736 1368 H ILE 71 H ILE 71 22.282 -14.073 -5.515 1369 HA ILE 71 HA ILE 71 24.179 -12.329 -4.326 1370 HB ILE 71 HB ILE 71 22.587 -10.630 -4.896 1371 1HG1 ILE 71 2HG1 ILE 71 20.214 -12.007 -5.571 1372 2HG1 ILE 71 1HG1 ILE 71 20.681 -12.590 -3.978 1373 1HG2 ILE 71 1HG2 ILE 71 22.703 -11.066 -7.093 1374 2HG2 ILE 71 2HG2 ILE 71 21.546 -12.388 -6.949 1375 3HG2 ILE 71 3HG2 ILE 71 23.261 -12.684 -6.670 1376 1HD1 ILE 71 1HD1 ILE 71 20.602 -10.439 -3.027 1377 2HD1 ILE 71 2HD1 ILE 71 19.215 -10.448 -4.117 1378 3HD1 ILE 71 3HD1 ILE 71 20.709 -9.644 -4.598 1379 H ALA 72 H ALA 72 23.069 -10.564 -2.701 1380 HA ALA 72 HA ALA 72 22.790 -12.068 -0.180 1381 1HB ALA 72 1HB ALA 72 22.777 -9.087 -0.552 1382 2HB ALA 72 2HB ALA 72 24.254 -10.009 -0.830 1383 3HB ALA 72 3HB ALA 72 23.485 -10.036 0.756 1384 HA PRO 73 HA PRO 73 18.349 -11.304 -0.627 1385 1HB PRO 73 2HB PRO 73 17.563 -13.180 1.159 1386 2HB PRO 73 1HB PRO 73 17.979 -13.558 -0.517 1387 1HG PRO 73 2HG PRO 73 19.529 -14.010 1.959 1388 2HG PRO 73 1HG PRO 73 19.511 -14.942 0.456 1389 1HD PRO 73 2HD PRO 73 21.483 -13.133 1.218 1390 2HD PRO 73 1HD PRO 73 21.215 -13.743 -0.426 1391 H SER 74 H SER 74 17.496 -9.645 0.481 1392 HA SER 74 HA SER 74 17.504 -9.714 3.417 1393 1HB SER 74 2HB SER 74 18.340 -7.105 2.453 1394 2HB SER 74 1HB SER 74 19.035 -8.117 3.706 1395 HG SER 74 HG SER 74 20.549 -8.103 2.140 1396 H VAL 75 H VAL 75 16.772 -6.900 3.554 1397 HA VAL 75 HA VAL 75 14.245 -6.618 3.995 1398 HB VAL 75 HB VAL 75 15.516 -4.867 1.887 1399 1HG1 VAL 75 1HG1 VAL 75 13.321 -4.349 3.911 1400 2HG1 VAL 75 2HG1 VAL 75 13.097 -4.495 2.169 1401 3HG1 VAL 75 3HG1 VAL 75 14.011 -3.142 2.830 1402 1HG2 VAL 75 1HG2 VAL 75 16.837 -3.996 3.522 1403 2HG2 VAL 75 2HG2 VAL 75 16.443 -5.442 4.451 1404 3HG2 VAL 75 3HG2 VAL 75 15.507 -3.970 4.679 1405 H GLY 76 H GLY 76 12.229 -6.792 3.214 1406 1HA GLY 76 2HA GLY 76 11.787 -7.258 0.309 1407 2HA GLY 76 1HA GLY 76 11.221 -8.484 1.446 1408 H VAL 77 H VAL 77 11.034 -4.965 0.949 1409 HA VAL 77 HA VAL 77 9.009 -4.098 2.522 1410 HB VAL 77 HB VAL 77 10.106 -2.709 0.862 1411 1HG1 VAL 77 1HG1 VAL 77 9.625 -4.843 -0.866 1412 2HG1 VAL 77 2HG1 VAL 77 10.286 -3.275 -1.324 1413 3HG1 VAL 77 3HG1 VAL 77 8.555 -3.577 -1.467 1414 1HG2 VAL 77 1HG2 VAL 77 7.648 -2.171 -0.401 1415 2HG2 VAL 77 2HG2 VAL 77 8.256 -1.428 1.076 1416 3HG2 VAL 77 3HG2 VAL 77 7.215 -2.841 1.169 1417 H SER 78 H SER 78 7.487 -5.636 3.084 1418 HA SER 78 HA SER 78 5.716 -6.719 0.958 1419 1HB SER 78 2HB SER 78 6.421 -8.276 2.653 1420 2HB SER 78 1HB SER 78 6.038 -7.140 3.944 1421 HG SER 78 HG SER 78 4.378 -8.644 3.747 1422 H VAL 79 H VAL 79 3.313 -6.625 1.703 1423 HA VAL 79 HA VAL 79 2.226 -4.570 3.324 1424 HB VAL 79 HB VAL 79 3.477 -3.151 1.661 1425 1HG1 VAL 79 1HG1 VAL 79 2.970 -4.920 -0.194 1426 2HG1 VAL 79 2HG1 VAL 79 3.037 -3.213 -0.630 1427 3HG1 VAL 79 3HG1 VAL 79 1.478 -4.007 -0.407 1428 1HG2 VAL 79 1HG2 VAL 79 1.767 -1.574 1.450 1429 2HG2 VAL 79 2HG2 VAL 79 1.143 -2.598 2.740 1430 3HG2 VAL 79 3HG2 VAL 79 0.551 -2.797 1.090 1431 H LYS 80 H LYS 80 -0.172 -4.077 2.386 1432 HA LYS 80 HA LYS 80 -1.296 -5.887 0.478 1433 1HB LYS 80 2HB LYS 80 -2.424 -7.384 2.177 1434 2HB LYS 80 1HB LYS 80 -0.675 -7.570 2.129 1435 1HG LYS 80 2HG LYS 80 -0.532 -5.919 4.035 1436 2HG LYS 80 1HG LYS 80 -2.290 -5.992 4.148 1437 1HD LYS 80 2HD LYS 80 -0.722 -8.550 4.153 1438 2HD LYS 80 1HD LYS 80 -0.807 -7.592 5.632 1439 1HE LYS 80 2HE LYS 80 -2.825 -8.548 6.033 1440 2HE LYS 80 1HE LYS 80 -3.452 -7.675 4.621 1441 1HZ LYS 80 1HZ LYS 80 -1.968 -10.243 4.465 1442 2HZ LYS 80 2HZ LYS 80 -2.744 -9.431 3.190 1443 3HZ LYS 80 3HZ LYS 80 -3.659 -10.130 4.438 1444 HA PRO 81 HA PRO 81 -4.812 -3.366 1.426 1445 1HB PRO 81 2HB PRO 81 -6.837 -4.944 0.524 1446 2HB PRO 81 1HB PRO 81 -5.676 -4.156 -0.556 1447 1HG PRO 81 2HG PRO 81 -5.908 -6.982 0.198 1448 2HG PRO 81 1HG PRO 81 -5.169 -6.253 -1.232 1449 1HD PRO 81 2HD PRO 81 -3.846 -7.232 1.084 1450 2HD PRO 81 1HD PRO 81 -3.122 -6.397 -0.303 1451 H GLY 82 H GLY 82 -5.093 -3.216 3.664 1452 1HA GLY 82 2HA GLY 82 -5.921 -5.450 5.312 1453 2HA GLY 82 1HA GLY 82 -5.879 -3.766 5.823 1454 H GLU 83 H GLU 83 -7.718 -5.067 3.077 1455 HA GLU 83 HA GLU 83 -10.010 -5.169 2.646 1456 1HB GLU 83 2HB GLU 83 -9.928 -6.567 4.666 1457 2HB GLU 83 1HB GLU 83 -10.151 -5.130 5.662 1458 1HG GLU 83 2HG GLU 83 -12.370 -5.519 5.480 1459 2HG GLU 83 1HG GLU 83 -12.217 -4.944 3.820 1460 H SER 84 H SER 84 -8.932 -2.599 4.846 1461 HA SER 84 HA SER 84 -11.237 -0.988 4.931 1462 1HB SER 84 2HB SER 84 -9.492 -0.127 6.170 1463 2HB SER 84 1HB SER 84 -8.282 -0.611 4.988 1464 HG SER 84 HG SER 84 -9.969 1.649 5.028 1465 H LEU 85 H LEU 85 -8.872 -1.441 2.336 1466 HA LEU 85 HA LEU 85 -10.194 0.516 0.565 1467 1HB LEU 85 2HB LEU 85 -7.808 0.340 0.448 1468 2HB LEU 85 1HB LEU 85 -7.867 -1.417 0.361 1469 HG LEU 85 HG LEU 85 -9.384 -0.095 -1.780 1470 1HD1 LEU 85 1HD1 LEU 85 -6.682 0.828 -1.152 1471 2HD1 LEU 85 2HD1 LEU 85 -7.846 1.476 -2.306 1472 3HD1 LEU 85 3HD1 LEU 85 -6.791 0.143 -2.773 1473 1HD2 LEU 85 1HD2 LEU 85 -7.532 -2.382 -1.352 1474 2HD2 LEU 85 2HD2 LEU 85 -7.545 -1.689 -2.974 1475 3HD2 LEU 85 3HD2 LEU 85 -9.038 -2.311 -2.268 1476 H LYS 86 H LYS 86 -9.907 -2.996 0.990 1477 HA LYS 86 HA LYS 86 -11.356 -3.705 -1.404 1478 1HB LYS 86 2HB LYS 86 -9.875 -4.979 0.566 1479 2HB LYS 86 1HB LYS 86 -11.516 -5.547 0.876 1480 1HG LYS 86 2HG LYS 86 -11.741 -6.308 -1.423 1481 2HG LYS 86 1HG LYS 86 -10.168 -5.630 -1.839 1482 1HD LYS 86 2HD LYS 86 -9.015 -7.333 -0.829 1483 2HD LYS 86 1HD LYS 86 -10.209 -7.515 0.456 1484 1HE LYS 86 2HE LYS 86 -11.486 -9.007 -0.757 1485 2HE LYS 86 1HE LYS 86 -11.069 -8.256 -2.310 1486 1HZ LYS 86 1HZ LYS 86 -9.862 -10.271 -2.212 1487 2HZ LYS 86 2HZ LYS 86 -9.357 -9.987 -0.614 1488 3HZ LYS 86 3HZ LYS 86 -8.738 -9.043 -1.885 1489 H LYS 87 H LYS 87 -12.217 -3.053 1.923 1490 HA LYS 87 HA LYS 87 -14.978 -3.846 1.674 1491 1HB LYS 87 2HB LYS 87 -13.859 -3.725 3.843 1492 2HB LYS 87 1HB LYS 87 -13.438 -2.035 3.572 1493 1HG LYS 87 2HG LYS 87 -15.365 -1.456 4.585 1494 2HG LYS 87 1HG LYS 87 -16.237 -2.177 3.233 1495 1HD LYS 87 2HD LYS 87 -17.081 -3.657 4.712 1496 2HD LYS 87 1HD LYS 87 -15.469 -4.368 4.787 1497 1HE LYS 87 2HE LYS 87 -14.904 -3.199 6.754 1498 2HE LYS 87 1HE LYS 87 -16.169 -1.979 6.499 1499 1HZ LYS 87 1HZ LYS 87 -16.874 -3.601 8.150 1500 2HZ LYS 87 2HZ LYS 87 -16.623 -4.867 7.045 1501 3HZ LYS 87 3HZ LYS 87 -17.839 -3.715 6.760 1502 H ALA 88 H ALA 88 -13.088 -0.882 1.298 1503 HA ALA 88 HA ALA 88 -15.308 0.881 0.742 1504 1HB ALA 88 1HB ALA 88 -12.489 0.971 -0.379 1505 2HB ALA 88 2HB ALA 88 -12.851 1.412 1.290 1506 3HB ALA 88 3HB ALA 88 -13.551 2.338 -0.038 1507 H ALA 89 H ALA 89 -13.263 -1.331 -1.080 1508 HA ALA 89 HA ALA 89 -14.092 -0.757 -3.728 1509 1HB ALA 89 1HB ALA 89 -12.706 -2.817 -2.230 1510 2HB ALA 89 2HB ALA 89 -12.473 -2.333 -3.904 1511 3HB ALA 89 3HB ALA 89 -13.695 -3.537 -3.495 1512 H GLU 90 H GLU 90 -15.532 -2.894 -1.277 1513 HA GLU 90 HA GLU 90 -17.652 -3.982 -2.828 1514 1HB GLU 90 2HB GLU 90 -16.801 -3.902 -0.150 1515 2HB GLU 90 1HB GLU 90 -18.410 -3.182 -0.114 1516 1HG GLU 90 2HG GLU 90 -18.161 -5.612 -1.783 1517 2HG GLU 90 1HG GLU 90 -17.952 -5.868 -0.051 1518 H GLY 91 H GLY 91 -17.133 -0.846 -1.339 1519 1HA GLY 91 2HA GLY 91 -19.816 0.172 -1.754 1520 2HA GLY 91 1HA GLY 91 -18.390 1.144 -1.395 1521 H LEU 92 H LEU 92 -16.921 -0.013 -3.804 1522 HA LEU 92 HA LEU 92 -17.747 1.988 -5.725 1523 1HB LEU 92 2HB LEU 92 -15.785 1.339 -6.787 1524 2HB LEU 92 1HB LEU 92 -15.483 0.726 -5.173 1525 HG LEU 92 HG LEU 92 -16.756 -1.418 -6.219 1526 1HD1 LEU 92 1HD1 LEU 92 -16.035 0.265 -8.468 1527 2HD1 LEU 92 2HD1 LEU 92 -16.921 -1.260 -8.464 1528 3HD1 LEU 92 3HD1 LEU 92 -15.159 -1.264 -8.541 1529 1HD2 LEU 92 1HD2 LEU 92 -14.060 -1.711 -7.033 1530 2HD2 LEU 92 2HD2 LEU 92 -14.773 -2.217 -5.503 1531 3HD2 LEU 92 3HD2 LEU 92 -14.037 -0.622 -5.647 1532 H LYS 93 H LYS 93 -19.456 -0.698 -4.993 1533 HA LYS 93 HA LYS 93 -21.018 -2.001 -6.212 1534 1HB LYS 93 2HB LYS 93 -20.405 -0.014 -8.437 1535 2HB LYS 93 1HB LYS 93 -21.868 -0.976 -8.251 1536 1HG LYS 93 2HG LYS 93 -20.945 1.123 -6.266 1537 2HG LYS 93 1HG LYS 93 -22.163 1.397 -7.513 1538 1HD LYS 93 2HD LYS 93 -23.554 -0.402 -6.562 1539 2HD LYS 93 1HD LYS 93 -22.337 -0.690 -5.319 1540 1HE LYS 93 2HE LYS 93 -23.916 0.730 -4.249 1541 2HE LYS 93 1HE LYS 93 -22.639 1.848 -4.764 1542 1HZ LYS 93 1HZ LYS 93 -24.998 1.160 -6.429 1543 2HZ LYS 93 2HZ LYS 93 -23.837 2.359 -6.739 1544 3HZ LYS 93 3HZ LYS 93 -24.921 2.538 -5.444 1545 H TYR 94 H TYR 94 -18.297 -2.672 -6.058 1546 HA TYR 94 HA TYR 94 -16.763 -3.236 -8.250 1547 1HB TYR 94 2HB TYR 94 -15.733 -4.712 -6.849 1548 2HB TYR 94 1HB TYR 94 -16.730 -3.871 -5.670 1549 HD1 TYR 94 HD1 TYR 94 -18.822 -4.908 -4.838 1550 HD2 TYR 94 HD2 TYR 94 -16.125 -6.941 -7.476 1551 HE1 TYR 94 HE1 TYR 94 -19.937 -7.072 -4.318 1552 HE2 TYR 94 HE2 TYR 94 -17.225 -9.107 -6.966 1553 HH TYR 94 HH TYR 94 -19.692 -9.356 -4.455 1554 H GLU 95 H GLU 95 -19.844 -4.790 -7.457 1555 HA GLU 95 HA GLU 95 -19.702 -7.025 -9.235 1556 1HB GLU 95 2HB GLU 95 -22.037 -5.270 -8.406 1557 2HB GLU 95 1HB GLU 95 -22.188 -6.866 -9.142 1558 1HG GLU 95 2HG GLU 95 -22.167 -7.673 -7.029 1559 2HG GLU 95 1HG GLU 95 -20.440 -7.321 -7.047 1560 H ASP 96 H ASP 96 -20.912 -3.707 -9.719 1561 HA ASP 96 HA ASP 96 -21.606 -3.886 -12.471 1562 1HB ASP 96 2HB ASP 96 -20.961 -1.843 -10.449 1563 2HB ASP 96 1HB ASP 96 -20.553 -1.342 -12.091 1564 H PHE 97 H PHE 97 -18.543 -3.412 -10.801 1565 HA PHE 97 HA PHE 97 -16.929 -2.948 -13.184 1566 1HB PHE 97 2HB PHE 97 -16.681 -2.821 -10.394 1567 2HB PHE 97 1HB PHE 97 -15.607 -4.141 -10.856 1568 HD1 PHE 97 HD1 PHE 97 -16.549 -0.730 -12.129 1569 HD2 PHE 97 HD2 PHE 97 -13.417 -3.564 -11.343 1570 HE1 PHE 97 HE1 PHE 97 -14.864 0.914 -12.908 1571 HE2 PHE 97 HE2 PHE 97 -11.732 -1.920 -12.123 1572 HZ PHE 97 HZ PHE 97 -12.456 0.321 -12.906 1573 H ALA 98 H ALA 98 -18.055 -5.713 -11.347 1574 HA ALA 98 HA ALA 98 -16.345 -7.770 -12.279 1575 1HB ALA 98 1HB ALA 98 -19.301 -8.150 -11.867 1576 2HB ALA 98 2HB ALA 98 -18.306 -7.614 -10.513 1577 3HB ALA 98 3HB ALA 98 -17.966 -9.155 -11.300 1578 H LYS 99 H LYS 99 -19.284 -6.383 -13.705 1579 HA LYS 99 HA LYS 99 -19.573 -8.225 -15.880 1580 1HB LYS 99 2HB LYS 99 -20.577 -5.609 -14.997 1581 2HB LYS 99 1HB LYS 99 -20.529 -5.768 -16.753 1582 1HG LYS 99 2HG LYS 99 -22.084 -7.468 -16.786 1583 2HG LYS 99 1HG LYS 99 -21.614 -8.071 -15.196 1584 1HD LYS 99 2HD LYS 99 -22.830 -5.347 -15.339 1585 2HD LYS 99 1HD LYS 99 -23.898 -6.734 -15.555 1586 1HE LYS 99 2HE LYS 99 -22.432 -7.552 -13.391 1587 2HE LYS 99 1HE LYS 99 -22.516 -5.802 -13.114 1588 1HZ LYS 99 1HZ LYS 99 -24.860 -7.451 -13.881 1589 2HZ LYS 99 2HZ LYS 99 -24.861 -5.832 -13.365 1590 3HZ LYS 99 3HZ LYS 99 -24.479 -7.076 -12.272 Start of MODEL 9 1 1H MET 1 1H MET 1 4.692 3.289 11.055 2 2H MET 1 2H MET 1 5.349 3.548 9.511 3 3H MET 1 3H MET 1 3.833 2.802 9.678 4 HA MET 1 HA MET 1 4.049 5.433 10.894 5 1HB MET 1 2HB MET 1 4.755 4.805 8.088 6 2HB MET 1 1HB MET 1 3.584 6.109 8.279 7 1HG MET 1 2HG MET 1 5.106 7.512 9.236 8 2HG MET 1 1HG MET 1 5.880 6.213 10.141 9 1HE MET 1 1HE MET 1 6.110 7.064 5.749 10 2HE MET 1 2HE MET 1 6.545 8.477 6.707 11 3HE MET 1 3HE MET 1 5.005 7.671 6.987 12 H ASN 2 H ASN 2 1.978 6.599 9.416 13 HA ASN 2 HA ASN 2 -0.169 4.779 8.817 14 1HB ASN 2 2HB ASN 2 0.360 4.775 11.431 15 2HB ASN 2 1HB ASN 2 -0.655 6.217 11.391 16 1HD2 ASN 2 1HD2 ASN 2 -0.768 2.830 11.621 17 2HD2 ASN 2 2HD2 ASN 2 -2.405 2.612 11.231 18 H LYS 3 H LYS 3 -2.411 6.210 9.371 19 HA LYS 3 HA LYS 3 -2.459 8.306 7.457 20 1HB LYS 3 2HB LYS 3 -4.254 6.873 8.998 21 2HB LYS 3 1HB LYS 3 -4.417 8.501 9.656 22 1HG LYS 3 2HG LYS 3 -5.335 9.331 7.730 23 2HG LYS 3 1HG LYS 3 -4.337 8.322 6.690 24 1HD LYS 3 2HD LYS 3 -5.770 6.452 6.925 25 2HD LYS 3 1HD LYS 3 -6.541 7.111 8.363 26 1HE LYS 3 2HE LYS 3 -6.830 8.752 5.871 27 2HE LYS 3 1HE LYS 3 -7.731 7.223 5.915 28 1HZ LYS 3 1HZ LYS 3 -8.846 7.824 7.830 29 2HZ LYS 3 2HZ LYS 3 -8.769 9.307 7.006 30 3HZ LYS 3 3HZ LYS 3 -7.697 8.987 8.285 31 H THR 4 H THR 4 -0.959 8.373 10.485 32 HA THR 4 HA THR 4 -1.067 11.377 10.587 33 HB THR 4 HB THR 4 -0.885 9.336 12.836 34 HG1 THR 4 HG1 THR 4 -2.960 9.553 12.945 35 1HG2 THR 4 1HG2 THR 4 -0.577 12.306 12.712 36 2HG2 THR 4 2HG2 THR 4 0.258 11.134 13.731 37 3HG2 THR 4 3HG2 THR 4 -1.396 11.613 14.112 38 H GLU 5 H GLU 5 0.841 8.433 11.216 39 HA GLU 5 HA GLU 5 3.321 9.752 11.782 40 1HB GLU 5 2HB GLU 5 2.321 7.156 11.603 41 2HB GLU 5 1HB GLU 5 3.505 7.238 10.303 42 1HG GLU 5 2HG GLU 5 5.219 7.166 11.762 43 2HG GLU 5 1HG GLU 5 4.547 8.507 12.688 44 H LEU 6 H LEU 6 1.981 8.401 8.742 45 HA LEU 6 HA LEU 6 4.044 9.341 6.986 46 1HB LEU 6 2HB LEU 6 1.158 8.561 6.811 47 2HB LEU 6 1HB LEU 6 1.841 9.425 5.435 48 HG LEU 6 HG LEU 6 3.191 7.009 6.646 49 1HD1 LEU 6 1HD1 LEU 6 1.356 5.875 5.892 50 2HD1 LEU 6 2HD1 LEU 6 2.123 6.096 4.319 51 3HD1 LEU 6 3HD1 LEU 6 0.848 7.197 4.840 52 1HD2 LEU 6 1HD2 LEU 6 4.410 8.681 5.137 53 2HD2 LEU 6 2HD2 LEU 6 3.342 8.136 3.843 54 3HD2 LEU 6 3HD2 LEU 6 4.445 6.996 4.613 55 H ILE 7 H ILE 7 1.272 10.923 8.485 56 HA ILE 7 HA ILE 7 1.105 13.309 6.981 57 HB ILE 7 HB ILE 7 0.760 12.603 9.901 58 1HG1 ILE 7 2HG1 ILE 7 -1.032 13.052 7.540 59 2HG1 ILE 7 1HG1 ILE 7 -0.938 11.648 8.594 60 1HG2 ILE 7 1HG2 ILE 7 1.263 15.175 9.125 61 2HG2 ILE 7 2HG2 ILE 7 0.302 14.714 10.528 62 3HG2 ILE 7 3HG2 ILE 7 -0.493 15.090 9.002 63 1HD1 ILE 7 1HD1 ILE 7 -1.993 14.392 9.339 64 2HD1 ILE 7 2HD1 ILE 7 -1.808 13.057 10.470 65 3HD1 ILE 7 3HD1 ILE 7 -2.950 12.927 9.134 66 H LYS 8 H LYS 8 3.130 12.564 9.816 67 HA LYS 8 HA LYS 8 4.698 14.959 9.772 68 1HB LYS 8 2HB LYS 8 5.450 12.142 10.637 69 2HB LYS 8 1HB LYS 8 6.245 13.624 11.163 70 1HG LYS 8 2HG LYS 8 3.427 12.714 11.783 71 2HG LYS 8 1HG LYS 8 4.737 13.025 12.920 72 1HD LYS 8 2HD LYS 8 3.532 14.998 13.124 73 2HD LYS 8 1HD LYS 8 4.655 15.447 11.840 74 1HE LYS 8 2HE LYS 8 3.010 15.485 10.236 75 2HE LYS 8 1HE LYS 8 2.161 14.099 10.949 76 1HZ LYS 8 1HZ LYS 8 2.307 16.713 12.340 77 2HZ LYS 8 2HZ LYS 8 1.232 15.427 12.619 78 3HZ LYS 8 3HZ LYS 8 1.077 16.380 11.221 79 H ALA 9 H ALA 9 4.953 11.891 8.037 80 HA ALA 9 HA ALA 9 7.555 12.156 6.948 81 1HB ALA 9 1HB ALA 9 6.776 10.544 5.402 82 2HB ALA 9 2HB ALA 9 5.134 11.185 5.441 83 3HB ALA 9 3HB ALA 9 5.767 10.298 6.826 84 H ILE 10 H ILE 10 4.464 13.640 5.933 85 HA ILE 10 HA ILE 10 5.878 15.097 3.760 86 HB ILE 10 HB ILE 10 3.192 14.080 4.333 87 1HG1 ILE 10 2HG1 ILE 10 2.925 14.346 1.900 88 2HG1 ILE 10 1HG1 ILE 10 4.402 15.308 1.838 89 1HG2 ILE 10 1HG2 ILE 10 2.643 16.376 4.940 90 2HG2 ILE 10 2HG2 ILE 10 1.943 16.013 3.361 91 3HG2 ILE 10 3HG2 ILE 10 3.415 16.980 3.473 92 1HD1 ILE 10 1HD1 ILE 10 5.025 13.077 1.213 93 2HD1 ILE 10 2HD1 ILE 10 4.131 12.381 2.565 94 3HD1 ILE 10 3HD1 ILE 10 5.604 13.306 2.863 95 H ALA 11 H ALA 11 4.339 15.459 6.903 96 HA ALA 11 HA ALA 11 4.244 18.353 6.874 97 1HB ALA 11 1HB ALA 11 4.652 16.772 9.385 98 2HB ALA 11 2HB ALA 11 3.225 16.401 8.419 99 3HB ALA 11 3HB ALA 11 3.467 18.030 9.040 100 H GLN 12 H GLN 12 6.788 16.064 7.040 101 HA GLN 12 HA GLN 12 8.634 18.103 8.186 102 1HB GLN 12 2HB GLN 12 9.876 16.290 9.060 103 2HB GLN 12 1HB GLN 12 8.221 15.701 9.186 104 1HG GLN 12 2HG GLN 12 8.501 14.521 7.014 105 2HG GLN 12 1HG GLN 12 10.177 15.064 6.955 106 1HE2 GLN 12 1HE2 GLN 12 11.228 14.618 9.396 107 2HE2 GLN 12 2HE2 GLN 12 11.038 13.006 9.892 108 H ASP 13 H ASP 13 8.177 15.772 5.516 109 HA ASP 13 HA ASP 13 10.624 16.470 4.107 110 1HB ASP 13 2HB ASP 13 7.946 15.242 3.415 111 2HB ASP 13 1HB ASP 13 9.132 15.574 2.153 112 H THR 14 H THR 14 7.331 17.589 4.249 113 HA THR 14 HA THR 14 7.811 19.797 2.329 114 HB THR 14 HB THR 14 5.191 19.575 3.610 115 HG1 THR 14 HG1 THR 14 6.222 17.296 2.268 116 1HG2 THR 14 1HG2 THR 14 5.307 20.618 1.517 117 2HG2 THR 14 2HG2 THR 14 4.638 19.031 1.153 118 3HG2 THR 14 3HG2 THR 14 6.342 19.363 0.848 119 H GLY 15 H GLY 15 6.089 19.472 5.454 120 1HA GLY 15 2HA GLY 15 5.914 20.989 7.250 121 2HA GLY 15 1HA GLY 15 7.671 21.020 7.122 122 H LEU 16 H LEU 16 5.591 22.142 4.570 123 HA LEU 16 HA LEU 16 6.798 24.827 4.806 124 1HB LEU 16 2HB LEU 16 4.912 24.861 2.714 125 2HB LEU 16 1HB LEU 16 6.662 24.752 2.567 126 HG LEU 16 HG LEU 16 6.381 22.266 2.966 127 1HD1 LEU 16 1HD1 LEU 16 4.284 21.320 3.018 128 2HD1 LEU 16 2HD1 LEU 16 3.624 22.499 1.882 129 3HD1 LEU 16 3HD1 LEU 16 3.810 22.920 3.576 130 1HD2 LEU 16 1HD2 LEU 16 6.395 23.768 0.656 131 2HD2 LEU 16 2HD2 LEU 16 4.942 22.794 0.442 132 3HD2 LEU 16 3HD2 LEU 16 6.498 22.009 0.701 133 H THR 17 H THR 17 3.782 23.222 5.344 134 HA THR 17 HA THR 17 2.687 25.568 6.716 135 HB THR 17 HB THR 17 2.382 25.246 3.957 136 HG1 THR 17 HG1 THR 17 1.099 27.015 4.190 137 1HG2 THR 17 1HG2 THR 17 -0.083 24.275 5.405 138 2HG2 THR 17 2HG2 THR 17 0.819 23.466 4.126 139 3HG2 THR 17 3HG2 THR 17 -0.111 24.915 3.768 140 H GLN 18 H GLN 18 2.925 22.210 6.283 141 HA GLN 18 HA GLN 18 1.733 20.386 7.216 142 1HB GLN 18 2HB GLN 18 0.518 22.432 9.086 143 2HB GLN 18 1HB GLN 18 1.000 20.774 9.443 144 1HG GLN 18 2HG GLN 18 3.400 21.649 8.787 145 2HG GLN 18 1HG GLN 18 2.707 23.225 9.173 146 1HE2 GLN 18 1HE2 GLN 18 2.765 23.796 11.356 147 2HE2 GLN 18 2HE2 GLN 18 2.965 22.705 12.641 148 H VAL 19 H VAL 19 0.700 22.093 5.103 149 HA VAL 19 HA VAL 19 -1.618 23.091 4.633 150 HB VAL 19 HB VAL 19 -0.439 22.052 2.850 151 1HG1 VAL 19 1HG1 VAL 19 0.610 20.112 3.408 152 2HG1 VAL 19 2HG1 VAL 19 -0.857 19.348 2.807 153 3HG1 VAL 19 3HG1 VAL 19 -0.657 19.639 4.534 154 1HG2 VAL 19 1HG2 VAL 19 -2.694 22.181 2.139 155 2HG2 VAL 19 2HG2 VAL 19 -3.185 20.837 3.162 156 3HG2 VAL 19 3HG2 VAL 19 -2.203 20.539 1.737 157 H SER 20 H SER 20 -2.366 19.728 4.467 158 HA SER 20 HA SER 20 -4.390 19.977 6.596 159 1HB SER 20 2HB SER 20 -4.645 19.593 3.721 160 2HB SER 20 1HB SER 20 -5.276 18.193 4.577 161 HG SER 20 HG SER 20 -5.952 20.714 5.558 162 H VAL 21 H VAL 21 -1.550 18.880 6.242 163 HA VAL 21 HA VAL 21 -0.974 16.327 5.904 164 HB VAL 21 HB VAL 21 0.121 16.360 8.176 165 1HG1 VAL 21 1HG1 VAL 21 0.434 18.951 6.656 166 2HG1 VAL 21 2HG1 VAL 21 1.070 17.412 6.075 167 3HG1 VAL 21 3HG1 VAL 21 1.666 18.099 7.586 168 1HG2 VAL 21 1HG2 VAL 21 -1.557 17.599 9.425 169 2HG2 VAL 21 2HG2 VAL 21 -1.373 18.988 8.354 170 3HG2 VAL 21 3HG2 VAL 21 -0.055 18.522 9.428 171 H SER 22 H SER 22 -3.191 17.493 8.305 172 HA SER 22 HA SER 22 -3.893 14.785 9.280 173 1HB SER 22 2HB SER 22 -3.861 16.760 10.765 174 2HB SER 22 1HB SER 22 -5.071 17.545 9.754 175 HG SER 22 HG SER 22 -5.325 15.208 11.335 176 H LYS 23 H LYS 23 -5.230 17.290 7.177 177 HA LYS 23 HA LYS 23 -7.662 15.767 6.649 178 1HB LYS 23 2HB LYS 23 -6.502 18.418 6.157 179 2HB LYS 23 1HB LYS 23 -7.641 17.860 4.932 180 1HG LYS 23 2HG LYS 23 -9.155 18.753 6.393 181 2HG LYS 23 1HG LYS 23 -8.991 17.170 7.154 182 1HD LYS 23 2HD LYS 23 -8.755 18.923 8.847 183 2HD LYS 23 1HD LYS 23 -7.216 18.090 8.630 184 1HE LYS 23 2HE LYS 23 -6.191 19.968 7.840 185 2HE LYS 23 1HE LYS 23 -7.583 20.406 6.832 186 1HZ LYS 23 1HZ LYS 23 -7.279 20.798 9.759 187 2HZ LYS 23 2HZ LYS 23 -8.764 20.960 8.949 188 3HZ LYS 23 3HZ LYS 23 -7.471 21.997 8.575 189 H MET 24 H MET 24 -4.574 16.410 4.964 190 HA MET 24 HA MET 24 -5.598 15.228 2.490 191 1HB MET 24 2HB MET 24 -2.824 15.169 2.326 192 2HB MET 24 1HB MET 24 -3.866 16.459 1.755 193 1HG MET 24 2HG MET 24 -3.329 17.845 3.521 194 2HG MET 24 1HG MET 24 -3.124 16.494 4.626 195 1HE MET 24 1HE MET 24 -1.819 14.945 4.605 196 2HE MET 24 2HE MET 24 -0.067 15.138 4.591 197 3HE MET 24 3HE MET 24 -0.891 14.517 3.163 198 H LEU 25 H LEU 25 -3.641 14.067 5.274 199 HA LEU 25 HA LEU 25 -3.252 11.461 3.968 200 1HB LEU 25 2HB LEU 25 -2.723 12.599 6.710 201 2HB LEU 25 1HB LEU 25 -2.404 10.911 6.323 202 HG LEU 25 HG LEU 25 -0.892 13.319 5.574 203 1HD1 LEU 25 1HD1 LEU 25 0.924 11.854 5.723 204 2HD1 LEU 25 2HD1 LEU 25 -0.032 10.463 5.215 205 3HD1 LEU 25 3HD1 LEU 25 -0.230 11.122 6.837 206 1HD2 LEU 25 1HD2 LEU 25 -0.208 12.492 3.352 207 2HD2 LEU 25 2HD2 LEU 25 -1.933 12.853 3.368 208 3HD2 LEU 25 3HD2 LEU 25 -1.381 11.181 3.470 209 H ALA 26 H ALA 26 -5.294 12.738 6.632 210 HA ALA 26 HA ALA 26 -6.653 10.300 7.240 211 1HB ALA 26 1HB ALA 26 -6.796 12.429 8.530 212 2HB ALA 26 2HB ALA 26 -8.396 11.824 8.104 213 3HB ALA 26 3HB ALA 26 -7.688 13.158 7.194 214 H SER 27 H SER 27 -7.013 12.680 4.677 215 HA SER 27 HA SER 27 -9.382 11.328 3.572 216 1HB SER 27 2HB SER 27 -7.689 13.639 2.586 217 2HB SER 27 1HB SER 27 -9.235 13.136 1.911 218 HG SER 27 HG SER 27 -10.251 13.962 3.581 219 H PHE 28 H PHE 28 -5.892 11.550 3.008 220 HA PHE 28 HA PHE 28 -5.747 10.435 0.387 221 1HB PHE 28 2HB PHE 28 -3.688 11.134 1.099 222 2HB PHE 28 1HB PHE 28 -4.043 10.757 2.775 223 HD1 PHE 28 HD1 PHE 28 -3.455 8.618 3.744 224 HD2 PHE 28 HD2 PHE 28 -2.934 9.315 -0.463 225 HE1 PHE 28 HE1 PHE 28 -2.043 6.598 3.582 226 HE2 PHE 28 HE2 PHE 28 -1.525 7.295 -0.614 227 HZ PHE 28 HZ PHE 28 -1.074 5.938 1.399 228 H GLU 29 H GLU 29 -5.645 8.786 3.542 229 HA GLU 29 HA GLU 29 -5.674 6.142 2.369 230 1HB GLU 29 2HB GLU 29 -5.627 7.501 4.972 231 2HB GLU 29 1HB GLU 29 -6.506 5.971 4.994 232 1HG GLU 29 2HG GLU 29 -4.665 4.759 4.458 233 2HG GLU 29 1HG GLU 29 -3.954 6.053 3.511 234 H LYS 30 H LYS 30 -7.943 8.426 3.716 235 HA LYS 30 HA LYS 30 -10.267 6.716 3.520 236 1HB LYS 30 2HB LYS 30 -10.129 8.705 4.975 237 2HB LYS 30 1HB LYS 30 -9.919 9.732 3.559 238 1HG LYS 30 2HG LYS 30 -12.130 9.269 2.775 239 2HG LYS 30 1HG LYS 30 -12.335 7.956 3.935 240 1HD LYS 30 2HD LYS 30 -13.465 9.643 5.048 241 2HD LYS 30 1HD LYS 30 -11.840 9.889 5.691 242 1HE LYS 30 2HE LYS 30 -11.546 11.860 4.545 243 2HE LYS 30 1HE LYS 30 -12.461 11.289 3.134 244 1HZ LYS 30 1HZ LYS 30 -14.478 11.362 4.572 245 2HZ LYS 30 2HZ LYS 30 -13.806 12.889 4.247 246 3HZ LYS 30 3HZ LYS 30 -13.556 12.150 5.757 247 H ILE 31 H ILE 31 -8.297 8.434 1.200 248 HA ILE 31 HA ILE 31 -10.485 8.273 -0.783 249 HB ILE 31 HB ILE 31 -9.128 9.771 -2.113 250 1HG1 ILE 31 2HG1 ILE 31 -7.290 10.853 -0.373 251 2HG1 ILE 31 1HG1 ILE 31 -7.116 9.112 -0.207 252 1HG2 ILE 31 1HG2 ILE 31 -10.189 10.444 0.522 253 2HG2 ILE 31 2HG2 ILE 31 -10.541 11.162 -1.051 254 3HG2 ILE 31 3HG2 ILE 31 -9.099 11.651 -0.161 255 1HD1 ILE 31 1HD1 ILE 31 -7.432 10.002 -2.986 256 2HD1 ILE 31 2HD1 ILE 31 -6.278 8.862 -2.298 257 3HD1 ILE 31 3HD1 ILE 31 -5.967 10.595 -2.206 258 H ILE 32 H ILE 32 -7.307 7.178 -0.025 259 HA ILE 32 HA ILE 32 -6.666 5.983 -2.555 260 HB ILE 32 HB ILE 32 -5.910 5.167 0.273 261 1HG1 ILE 32 2HG1 ILE 32 -5.250 7.489 -1.139 262 2HG1 ILE 32 1HG1 ILE 32 -4.323 6.815 0.199 263 1HG2 ILE 32 1HG2 ILE 32 -4.875 4.369 -2.479 264 2HG2 ILE 32 2HG2 ILE 32 -5.548 3.313 -1.242 265 3HG2 ILE 32 3HG2 ILE 32 -3.972 4.064 -0.998 266 1HD1 ILE 32 1HD1 ILE 32 -3.895 6.002 -2.686 267 2HD1 ILE 32 2HD1 ILE 32 -2.860 5.644 -1.303 268 3HD1 ILE 32 3HD1 ILE 32 -2.990 7.297 -1.903 269 H THR 33 H THR 33 -8.220 4.838 0.376 270 HA THR 33 HA THR 33 -8.952 2.338 -0.879 271 HB THR 33 HB THR 33 -8.555 3.223 1.682 272 HG1 THR 33 HG1 THR 33 -8.899 1.172 2.121 273 1HG2 THR 33 1HG2 THR 33 -11.527 2.871 1.299 274 2HG2 THR 33 2HG2 THR 33 -10.716 4.388 1.686 275 3HG2 THR 33 3HG2 THR 33 -10.695 3.056 2.843 276 H GLU 34 H GLU 34 -10.496 5.425 -0.014 277 HA GLU 34 HA GLU 34 -13.151 4.808 -0.886 278 1HB GLU 34 2HB GLU 34 -13.420 6.965 -0.208 279 2HB GLU 34 1HB GLU 34 -11.728 6.898 0.222 280 1HG GLU 34 2HG GLU 34 -11.926 8.841 -1.056 281 2HG GLU 34 1HG GLU 34 -11.241 7.649 -2.164 282 H THR 35 H THR 35 -10.243 5.843 -2.680 283 HA THR 35 HA THR 35 -11.551 6.297 -5.215 284 HB THR 35 HB THR 35 -8.747 5.451 -4.404 285 HG1 THR 35 HG1 THR 35 -8.423 7.521 -4.314 286 1HG2 THR 35 1HG2 THR 35 -9.180 6.596 -7.094 287 2HG2 THR 35 2HG2 THR 35 -9.819 4.968 -6.881 288 3HG2 THR 35 3HG2 THR 35 -8.112 5.289 -6.589 289 H VAL 36 H VAL 36 -9.892 3.473 -3.795 290 HA VAL 36 HA VAL 36 -10.464 1.657 -5.927 291 HB VAL 36 HB VAL 36 -10.171 1.401 -2.916 292 1HG1 VAL 36 1HG1 VAL 36 -10.744 -0.785 -2.921 293 2HG1 VAL 36 2HG1 VAL 36 -9.838 -1.092 -4.402 294 3HG1 VAL 36 3HG1 VAL 36 -11.491 -0.490 -4.489 295 1HG2 VAL 36 1HG2 VAL 36 -8.050 0.218 -3.747 296 2HG2 VAL 36 2HG2 VAL 36 -8.134 1.962 -3.993 297 3HG2 VAL 36 3HG2 VAL 36 -8.453 0.867 -5.337 298 H ALA 37 H ALA 37 -12.395 2.867 -3.217 299 HA ALA 37 HA ALA 37 -14.712 1.206 -3.925 300 1HB ALA 37 1HB ALA 37 -14.953 3.565 -2.139 301 2HB ALA 37 2HB ALA 37 -13.856 2.285 -1.616 302 3HB ALA 37 3HB ALA 37 -15.551 1.924 -1.925 303 H LYS 38 H LYS 38 -13.249 3.865 -5.249 304 HA LYS 38 HA LYS 38 -15.839 5.056 -6.165 305 1HB LYS 38 2HB LYS 38 -13.517 6.214 -5.156 306 2HB LYS 38 1HB LYS 38 -13.323 6.392 -6.895 307 1HG LYS 38 2HG LYS 38 -14.512 8.319 -5.746 308 2HG LYS 38 1HG LYS 38 -15.383 7.602 -7.095 309 1HD LYS 38 2HD LYS 38 -16.705 8.095 -4.918 310 2HD LYS 38 1HD LYS 38 -16.936 6.525 -5.681 311 1HE LYS 38 2HE LYS 38 -15.977 5.405 -3.924 312 2HE LYS 38 1HE LYS 38 -14.726 6.640 -3.701 313 1HZ LYS 38 1HZ LYS 38 -17.589 6.898 -2.952 314 2HZ LYS 38 2HZ LYS 38 -16.429 8.130 -2.808 315 3HZ LYS 38 3HZ LYS 38 -16.292 6.719 -1.874 316 H GLY 39 H GLY 39 -13.312 3.002 -6.932 317 1HA GLY 39 2HA GLY 39 -13.148 1.662 -8.820 318 2HA GLY 39 1HA GLY 39 -14.327 2.691 -9.625 319 H ASP 40 H ASP 40 -11.158 3.495 -8.149 320 HA ASP 40 HA ASP 40 -10.343 4.426 -10.899 321 1HB ASP 40 2HB ASP 40 -10.660 5.848 -8.404 322 2HB ASP 40 1HB ASP 40 -8.980 5.939 -8.939 323 H LYS 41 H LYS 41 -8.231 3.936 -11.507 324 HA LYS 41 HA LYS 41 -6.763 2.049 -9.724 325 1HB LYS 41 2HB LYS 41 -6.541 2.600 -12.704 326 2HB LYS 41 1HB LYS 41 -5.781 1.269 -11.833 327 1HG LYS 41 2HG LYS 41 -7.633 0.085 -12.389 328 2HG LYS 41 1HG LYS 41 -8.427 0.999 -11.107 329 1HD LYS 41 2HD LYS 41 -9.595 2.293 -12.575 330 2HD LYS 41 1HD LYS 41 -8.246 2.400 -13.705 331 1HE LYS 41 2HE LYS 41 -9.513 0.984 -14.988 332 2HE LYS 41 1HE LYS 41 -8.921 -0.271 -13.882 333 1HZ LYS 41 1HZ LYS 41 -11.369 1.374 -13.503 334 2HZ LYS 41 2HZ LYS 41 -10.781 0.221 -12.401 335 3HZ LYS 41 3HZ LYS 41 -11.335 -0.267 -13.931 336 H VAL 42 H VAL 42 -5.509 3.483 -8.482 337 HA VAL 42 HA VAL 42 -3.991 5.665 -9.762 338 HB VAL 42 HB VAL 42 -3.623 4.620 -6.955 339 1HG1 VAL 42 1HG1 VAL 42 -2.960 7.037 -8.482 340 2HG1 VAL 42 2HG1 VAL 42 -2.209 6.374 -7.029 341 3HG1 VAL 42 3HG1 VAL 42 -3.667 7.356 -6.899 342 1HG2 VAL 42 1HG2 VAL 42 -5.540 6.774 -7.065 343 2HG2 VAL 42 2HG2 VAL 42 -5.726 5.185 -6.341 344 3HG2 VAL 42 3HG2 VAL 42 -6.125 5.429 -8.040 345 H GLN 43 H GLN 43 -1.567 5.770 -9.164 346 HA GLN 43 HA GLN 43 -0.175 3.191 -8.914 347 1HB GLN 43 2HB GLN 43 1.030 3.649 -11.128 348 2HB GLN 43 1HB GLN 43 -0.651 3.139 -11.268 349 1HG GLN 43 2HG GLN 43 -1.391 5.371 -11.702 350 2HG GLN 43 1HG GLN 43 0.163 6.053 -11.228 351 1HE2 GLN 43 1HE2 GLN 43 -1.283 3.854 -13.684 352 2HE2 GLN 43 2HE2 GLN 43 -0.167 4.240 -14.904 353 H LEU 44 H LEU 44 1.161 3.896 -7.275 354 HA LEU 44 HA LEU 44 2.142 6.605 -7.052 355 1HB LEU 44 2HB LEU 44 3.075 4.025 -5.760 356 2HB LEU 44 1HB LEU 44 3.411 5.652 -5.171 357 HG LEU 44 HG LEU 44 0.748 4.222 -5.281 358 1HD1 LEU 44 1HD1 LEU 44 2.107 3.912 -3.268 359 2HD1 LEU 44 2HD1 LEU 44 0.705 4.901 -2.894 360 3HD1 LEU 44 3HD1 LEU 44 2.289 5.651 -3.096 361 1HD2 LEU 44 1HD2 LEU 44 1.350 7.136 -5.377 362 2HD2 LEU 44 2HD2 LEU 44 0.100 6.629 -4.241 363 3HD2 LEU 44 3HD2 LEU 44 -0.066 6.260 -5.958 364 H THR 45 H THR 45 4.660 6.805 -6.654 365 HA THR 45 HA THR 45 6.129 7.111 -8.885 366 HB THR 45 HB THR 45 7.046 7.613 -6.725 367 HG1 THR 45 HG1 THR 45 9.080 6.556 -6.873 368 1HG2 THR 45 1HG2 THR 45 7.270 6.120 -4.969 369 2HG2 THR 45 2HG2 THR 45 7.471 4.738 -6.038 370 3HG2 THR 45 3HG2 THR 45 5.870 5.426 -5.781 371 H GLY 46 H GLY 46 5.804 3.931 -7.275 372 1HA GLY 46 2HA GLY 46 5.792 2.422 -9.642 373 2HA GLY 46 1HA GLY 46 7.481 2.560 -9.166 374 H PHE 47 H PHE 47 5.006 2.452 -6.650 375 HA PHE 47 HA PHE 47 5.753 -0.401 -6.226 376 1HB PHE 47 2HB PHE 47 5.964 0.017 -3.837 377 2HB PHE 47 1HB PHE 47 7.043 1.070 -4.735 378 HD1 PHE 47 HD1 PHE 47 6.481 3.502 -4.995 379 HD2 PHE 47 HD2 PHE 47 4.171 0.908 -2.473 380 HE1 PHE 47 HE1 PHE 47 5.558 5.457 -3.816 381 HE2 PHE 47 HE2 PHE 47 3.239 2.872 -1.313 382 HZ PHE 47 HZ PHE 47 3.933 5.153 -1.980 383 H LEU 48 H LEU 48 3.346 2.074 -5.246 384 HA LEU 48 HA LEU 48 1.438 -0.126 -4.743 385 1HB LEU 48 2HB LEU 48 2.018 2.486 -3.766 386 2HB LEU 48 1HB LEU 48 0.335 2.438 -4.286 387 HG LEU 48 HG LEU 48 0.879 1.737 -1.872 388 1HD1 LEU 48 1HD1 LEU 48 -0.711 -0.380 -2.274 389 2HD1 LEU 48 2HD1 LEU 48 -0.823 0.328 -3.885 390 3HD1 LEU 48 3HD1 LEU 48 -1.311 1.267 -2.474 391 1HD2 LEU 48 1HD2 LEU 48 2.093 -0.130 -1.455 392 2HD2 LEU 48 2HD2 LEU 48 2.649 0.011 -3.121 393 3HD2 LEU 48 3HD2 LEU 48 1.286 -1.036 -2.735 394 H ASN 49 H ASN 49 0.401 -0.841 -6.479 395 HA ASN 49 HA ASN 49 -0.531 1.063 -8.602 396 1HB ASN 49 2HB ASN 49 0.844 -1.337 -8.635 397 2HB ASN 49 1HB ASN 49 -0.813 -1.877 -8.902 398 1HD2 ASN 49 1HD2 ASN 49 1.767 -1.304 -10.713 399 2HD2 ASN 49 2HD2 ASN 49 1.081 -0.534 -12.061 400 H ILE 50 H ILE 50 -2.212 1.493 -6.562 401 HA ILE 50 HA ILE 50 -4.175 -0.426 -5.872 402 HB ILE 50 HB ILE 50 -5.339 1.325 -4.889 403 1HG1 ILE 50 2HG1 ILE 50 -4.708 3.752 -5.767 404 2HG1 ILE 50 1HG1 ILE 50 -4.467 2.856 -7.267 405 1HG2 ILE 50 1HG2 ILE 50 -2.771 2.816 -5.082 406 2HG2 ILE 50 2HG2 ILE 50 -2.706 1.166 -4.461 407 3HG2 ILE 50 3HG2 ILE 50 -3.711 2.371 -3.657 408 1HD1 ILE 50 1HD1 ILE 50 -6.886 3.786 -6.543 409 2HD1 ILE 50 2HD1 ILE 50 -6.929 2.244 -5.694 410 3HD1 ILE 50 3HD1 ILE 50 -6.701 2.283 -7.441 411 H LYS 51 H LYS 51 -5.876 -1.336 -6.857 412 HA LYS 51 HA LYS 51 -7.558 -0.014 -8.761 413 1HB LYS 51 2HB LYS 51 -6.671 -0.642 -10.802 414 2HB LYS 51 1HB LYS 51 -5.176 -0.564 -9.885 415 1HG LYS 51 2HG LYS 51 -4.982 -2.638 -10.917 416 2HG LYS 51 1HG LYS 51 -5.698 -3.096 -9.375 417 1HD LYS 51 2HD LYS 51 -7.751 -3.580 -10.321 418 2HD LYS 51 1HD LYS 51 -7.570 -2.359 -11.578 419 1HE LYS 51 2HE LYS 51 -5.648 -4.627 -11.693 420 2HE LYS 51 1HE LYS 51 -7.337 -4.997 -12.100 421 1HZ LYS 51 1HZ LYS 51 -5.756 -2.739 -13.212 422 2HZ LYS 51 2HZ LYS 51 -7.365 -3.116 -13.603 423 3HZ LYS 51 3HZ LYS 51 -6.112 -4.177 -14.036 424 HA PRO 52 HA PRO 52 -9.437 -3.747 -7.081 425 1HB PRO 52 2HB PRO 52 -11.951 -2.724 -6.868 426 2HB PRO 52 1HB PRO 52 -10.663 -2.351 -5.709 427 1HG PRO 52 2HG PRO 52 -11.862 -0.651 -7.772 428 2HG PRO 52 1HG PRO 52 -10.963 -0.198 -6.323 429 1HD PRO 52 2HD PRO 52 -10.019 -0.306 -9.025 430 2HD PRO 52 1HD PRO 52 -9.119 0.153 -7.563 431 H VAL 53 H VAL 53 -10.999 -5.307 -7.911 432 HA VAL 53 HA VAL 53 -12.193 -4.685 -10.557 433 HB VAL 53 HB VAL 53 -11.297 -6.795 -11.450 434 1HG1 VAL 53 1HG1 VAL 53 -9.121 -5.970 -11.863 435 2HG1 VAL 53 2HG1 VAL 53 -8.987 -5.267 -10.251 436 3HG1 VAL 53 3HG1 VAL 53 -10.034 -4.517 -11.455 437 1HG2 VAL 53 1HG2 VAL 53 -9.228 -7.335 -9.582 438 2HG2 VAL 53 2HG2 VAL 53 -10.601 -8.366 -9.986 439 3HG2 VAL 53 3HG2 VAL 53 -10.723 -7.214 -8.662 440 H ALA 54 H ALA 54 -14.289 -5.046 -10.317 441 HA ALA 54 HA ALA 54 -15.565 -6.460 -8.246 442 1HB ALA 54 1HB ALA 54 -17.330 -5.489 -9.249 443 2HB ALA 54 2HB ALA 54 -17.116 -6.484 -10.688 444 3HB ALA 54 3HB ALA 54 -16.242 -4.961 -10.532 445 H ARG 55 H ARG 55 -15.116 -8.595 -7.826 446 HA ARG 55 HA ARG 55 -16.254 -10.737 -9.188 447 1HB ARG 55 2HB ARG 55 -14.156 -11.687 -10.327 448 2HB ARG 55 1HB ARG 55 -14.903 -10.312 -11.132 449 1HG ARG 55 2HG ARG 55 -13.223 -8.832 -10.444 450 2HG ARG 55 1HG ARG 55 -12.739 -9.857 -9.093 451 1HD ARG 55 2HD ARG 55 -12.433 -10.854 -11.925 452 2HD ARG 55 1HD ARG 55 -11.195 -9.811 -11.199 453 HE ARG 55 HE ARG 55 -11.674 -11.701 -9.236 454 1HH1 ARG 55 1HH1 ARG 55 -12.254 -13.099 -12.050 455 2HH1 ARG 55 2HH1 ARG 55 -10.789 -14.012 -12.191 456 1HH2 ARG 55 1HH2 ARG 55 -9.175 -12.314 -9.634 457 2HH2 ARG 55 2HH2 ARG 55 -9.046 -13.567 -10.823 458 H GLN 56 H GLN 56 -16.088 -12.536 -7.842 459 HA GLN 56 HA GLN 56 -13.671 -13.017 -6.314 460 1HB GLN 56 2HB GLN 56 -15.779 -11.279 -5.316 461 2HB GLN 56 1HB GLN 56 -15.441 -12.606 -4.198 462 1HG GLN 56 2HG GLN 56 -13.016 -11.427 -5.386 463 2HG GLN 56 1HG GLN 56 -13.930 -10.303 -4.395 464 1HE2 GLN 56 1HE2 GLN 56 -12.546 -10.300 -2.555 465 2HE2 GLN 56 2HE2 GLN 56 -12.278 -11.678 -1.603 466 H ALA 57 H ALA 57 -16.123 -14.440 -7.826 467 HA ALA 57 HA ALA 57 -15.958 -17.045 -7.087 468 1HB ALA 57 1HB ALA 57 -17.813 -17.067 -5.176 469 2HB ALA 57 2HB ALA 57 -17.209 -15.444 -4.898 470 3HB ALA 57 3HB ALA 57 -16.115 -16.815 -4.785 471 H ARG 58 H ARG 58 -18.469 -18.087 -6.649 472 HA ARG 58 HA ARG 58 -20.249 -16.683 -8.577 473 1HB ARG 58 2HB ARG 58 -20.750 -18.804 -9.646 474 2HB ARG 58 1HB ARG 58 -19.010 -18.528 -9.661 475 1HG ARG 58 2HG ARG 58 -20.101 -19.990 -7.308 476 2HG ARG 58 1HG ARG 58 -20.109 -20.850 -8.847 477 1HD ARG 58 2HD ARG 58 -17.729 -20.589 -9.111 478 2HD ARG 58 1HD ARG 58 -17.646 -19.455 -7.750 479 HE ARG 58 HE ARG 58 -18.854 -21.815 -6.768 480 1HH1 ARG 58 1HH1 ARG 58 -16.215 -20.374 -5.944 481 2HH1 ARG 58 2HH1 ARG 58 -15.105 -21.700 -6.051 482 1HH2 ARG 58 1HH2 ARG 58 -17.280 -23.715 -7.852 483 2HH2 ARG 58 2HH2 ARG 58 -15.708 -23.592 -7.133 484 H LYS 59 H LYS 59 -22.470 -16.922 -8.278 485 HA LYS 59 HA LYS 59 -23.442 -18.486 -5.945 486 1HB LYS 59 2HB LYS 59 -22.760 -15.726 -5.884 487 2HB LYS 59 1HB LYS 59 -24.522 -15.804 -5.880 488 1HG LYS 59 2HG LYS 59 -24.131 -17.695 -4.075 489 2HG LYS 59 1HG LYS 59 -22.574 -16.892 -3.872 490 1HD LYS 59 2HD LYS 59 -23.902 -14.707 -3.664 491 2HD LYS 59 1HD LYS 59 -25.334 -15.723 -3.487 492 1HE LYS 59 2HE LYS 59 -24.496 -16.727 -1.481 493 2HE LYS 59 1HE LYS 59 -22.869 -16.070 -1.752 494 1HZ LYS 59 1HZ LYS 59 -25.288 -14.374 -1.474 495 2HZ LYS 59 2HZ LYS 59 -23.666 -13.869 -1.485 496 3HZ LYS 59 3HZ LYS 59 -24.273 -14.756 -0.170 497 H GLY 60 H GLY 60 -23.803 -18.142 -9.049 498 1HA GLY 60 2HA GLY 60 -26.747 -17.660 -9.042 499 2HA GLY 60 1HA GLY 60 -25.718 -17.555 -10.462 500 H PHE 61 H PHE 61 -26.004 -19.325 -11.841 501 HA PHE 61 HA PHE 61 -26.306 -21.899 -10.542 502 1HB PHE 61 2HB PHE 61 -28.367 -22.385 -11.529 503 2HB PHE 61 1HB PHE 61 -28.493 -20.662 -11.209 504 HD1 PHE 61 HD1 PHE 61 -26.264 -20.348 -13.692 505 HD2 PHE 61 HD2 PHE 61 -30.236 -21.921 -13.209 506 HE1 PHE 61 HE1 PHE 61 -26.697 -19.973 -16.087 507 HE2 PHE 61 HE2 PHE 61 -30.665 -21.519 -15.606 508 HZ PHE 61 HZ PHE 61 -28.910 -20.551 -17.048 509 H ASN 62 H ASN 62 -27.026 -23.219 -13.071 510 HA ASN 62 HA ASN 62 -25.247 -22.929 -15.154 511 1HB ASN 62 2HB ASN 62 -23.303 -22.932 -13.987 512 2HB ASN 62 1HB ASN 62 -23.992 -23.848 -12.651 513 1HD2 ASN 62 1HD2 ASN 62 -24.307 -26.274 -13.092 514 2HD2 ASN 62 2HD2 ASN 62 -23.207 -27.045 -14.129 515 HA PRO 63 HA PRO 63 -26.429 -27.593 -14.769 516 1HB PRO 63 2HB PRO 63 -28.665 -28.041 -13.228 517 2HB PRO 63 1HB PRO 63 -27.003 -28.255 -12.640 518 1HG PRO 63 2HG PRO 63 -28.847 -25.934 -12.287 519 2HG PRO 63 1HG PRO 63 -27.782 -26.715 -11.104 520 1HD PRO 63 2HD PRO 63 -27.100 -24.420 -12.289 521 2HD PRO 63 1HD PRO 63 -25.881 -25.655 -11.919 522 H GLN 64 H GLN 64 -28.156 -24.701 -15.144 523 HA GLN 64 HA GLN 64 -30.303 -25.946 -16.767 524 1HB GLN 64 2HB GLN 64 -30.075 -23.705 -15.057 525 2HB GLN 64 1HB GLN 64 -30.321 -23.072 -16.686 526 1HG GLN 64 2HG GLN 64 -32.515 -23.392 -15.899 527 2HG GLN 64 1HG GLN 64 -32.213 -24.840 -16.859 528 1HE2 GLN 64 1HE2 GLN 64 -34.134 -24.807 -14.711 529 2HE2 GLN 64 2HE2 GLN 64 -33.568 -25.836 -13.484 530 H THR 65 H THR 65 -28.395 -22.971 -17.201 531 HA THR 65 HA THR 65 -27.966 -23.745 -20.067 532 HB THR 65 HB THR 65 -27.988 -21.411 -20.539 533 HG1 THR 65 HG1 THR 65 -27.892 -19.890 -18.811 534 1HG2 THR 65 1HG2 THR 65 -30.073 -20.616 -19.569 535 2HG2 THR 65 2HG2 THR 65 -29.932 -21.769 -18.242 536 3HG2 THR 65 3HG2 THR 65 -30.211 -22.347 -19.885 537 H GLN 66 H GLN 66 -26.367 -23.920 -17.235 538 HA GLN 66 HA GLN 66 -24.112 -24.141 -16.663 539 1HB GLN 66 2HB GLN 66 -23.625 -23.869 -19.644 540 2HB GLN 66 1HB GLN 66 -22.613 -24.707 -18.470 541 1HG GLN 66 2HG GLN 66 -25.461 -25.503 -19.149 542 2HG GLN 66 1HG GLN 66 -24.022 -26.267 -19.823 543 1HE2 GLN 66 1HE2 GLN 66 -26.180 -27.315 -17.887 544 2HE2 GLN 66 2HE2 GLN 66 -25.291 -27.935 -16.582 545 H GLU 67 H GLU 67 -23.946 -22.173 -15.590 546 HA GLU 67 HA GLU 67 -21.947 -20.375 -16.014 547 1HB GLU 67 2HB GLU 67 -24.183 -19.917 -17.878 548 2HB GLU 67 1HB GLU 67 -23.771 -18.483 -16.943 549 1HG GLU 67 2HG GLU 67 -21.467 -18.590 -17.651 550 2HG GLU 67 1HG GLU 67 -21.725 -20.151 -18.428 551 H ALA 68 H ALA 68 -22.123 -20.342 -13.673 552 HA ALA 68 HA ALA 68 -24.453 -19.914 -12.144 553 1HB ALA 68 1HB ALA 68 -22.101 -20.464 -11.396 554 2HB ALA 68 2HB ALA 68 -22.946 -19.282 -10.397 555 3HB ALA 68 3HB ALA 68 -21.728 -18.749 -11.554 556 H LEU 69 H LEU 69 -25.830 -18.258 -12.079 557 HA LEU 69 HA LEU 69 -25.136 -15.714 -13.460 558 1HB LEU 69 2HB LEU 69 -27.804 -16.512 -12.295 559 2HB LEU 69 1HB LEU 69 -27.479 -15.498 -13.700 560 HG LEU 69 HG LEU 69 -26.721 -18.423 -13.597 561 1HD1 LEU 69 1HD1 LEU 69 -29.338 -17.165 -14.068 562 2HD1 LEU 69 2HD1 LEU 69 -28.943 -18.823 -13.616 563 3HD1 LEU 69 3HD1 LEU 69 -28.834 -18.320 -15.303 564 1HD2 LEU 69 1HD2 LEU 69 -26.970 -16.366 -15.795 565 2HD2 LEU 69 2HD2 LEU 69 -26.779 -18.090 -16.103 566 3HD2 LEU 69 3HD2 LEU 69 -25.509 -17.197 -15.268 567 H GLU 70 H GLU 70 -23.738 -15.702 -11.143 568 HA GLU 70 HA GLU 70 -24.543 -13.349 -9.766 569 1HB GLU 70 2HB GLU 70 -25.963 -15.729 -9.016 570 2HB GLU 70 1HB GLU 70 -24.935 -15.253 -7.669 571 1HG GLU 70 2HG GLU 70 -25.914 -13.081 -7.557 572 2HG GLU 70 1HG GLU 70 -26.711 -13.284 -9.118 573 H ILE 71 H ILE 71 -22.127 -14.243 -10.776 574 HA ILE 71 HA ILE 71 -20.640 -15.238 -8.431 575 HB ILE 71 HB ILE 71 -19.268 -16.274 -9.918 576 1HG1 ILE 71 2HG1 ILE 71 -19.109 -15.312 -12.380 577 2HG1 ILE 71 1HG1 ILE 71 -19.581 -13.815 -11.577 578 1HG2 ILE 71 1HG2 ILE 71 -20.546 -17.242 -11.596 579 2HG2 ILE 71 2HG2 ILE 71 -21.486 -15.771 -11.845 580 3HG2 ILE 71 3HG2 ILE 71 -21.718 -16.731 -10.382 581 1HD1 ILE 71 1HD1 ILE 71 -17.040 -14.361 -11.730 582 2HD1 ILE 71 2HD1 ILE 71 -17.368 -15.540 -10.462 583 3HD1 ILE 71 3HD1 ILE 71 -17.671 -13.829 -10.173 584 H ALA 72 H ALA 72 -19.664 -13.969 -7.246 585 HA ALA 72 HA ALA 72 -17.575 -12.420 -7.333 586 1HB ALA 72 1HB ALA 72 -18.109 -11.375 -9.393 587 2HB ALA 72 2HB ALA 72 -18.356 -10.114 -8.193 588 3HB ALA 72 3HB ALA 72 -19.741 -10.973 -8.855 589 HA PRO 73 HA PRO 73 -20.031 -11.098 -3.780 590 1HB PRO 73 2HB PRO 73 -18.898 -12.602 -1.836 591 2HB PRO 73 1HB PRO 73 -20.259 -13.152 -2.830 592 1HG PRO 73 2HG PRO 73 -17.467 -13.997 -2.892 593 2HG PRO 73 1HG PRO 73 -18.892 -14.780 -3.586 594 1HD PRO 73 2HD PRO 73 -16.917 -13.152 -4.914 595 2HD PRO 73 1HD PRO 73 -18.262 -14.048 -5.631 596 H SER 74 H SER 74 -17.229 -10.360 -4.837 597 HA SER 74 HA SER 74 -16.734 -8.295 -2.891 598 1HB SER 74 2HB SER 74 -14.299 -9.665 -2.609 599 2HB SER 74 1HB SER 74 -15.545 -9.483 -1.384 600 HG SER 74 HG SER 74 -15.933 -11.526 -1.601 601 H VAL 75 H VAL 75 -15.274 -6.719 -3.780 602 HA VAL 75 HA VAL 75 -14.673 -7.024 -6.601 603 HB VAL 75 HB VAL 75 -14.966 -4.928 -4.829 604 1HG1 VAL 75 1HG1 VAL 75 -12.837 -3.736 -4.722 605 2HG1 VAL 75 2HG1 VAL 75 -12.034 -5.012 -5.637 606 3HG1 VAL 75 3HG1 VAL 75 -12.618 -5.331 -4.003 607 1HG2 VAL 75 1HG2 VAL 75 -13.570 -4.864 -7.518 608 2HG2 VAL 75 2HG2 VAL 75 -14.342 -3.493 -6.728 609 3HG2 VAL 75 3HG2 VAL 75 -15.314 -4.860 -7.266 610 H GLY 76 H GLY 76 -12.222 -6.619 -7.299 611 1HA GLY 76 2HA GLY 76 -10.582 -8.459 -5.584 612 2HA GLY 76 1HA GLY 76 -10.497 -8.464 -7.344 613 H VAL 77 H VAL 77 -9.413 -6.926 -4.450 614 HA VAL 77 HA VAL 77 -8.350 -4.513 -5.577 615 HB VAL 77 HB VAL 77 -8.648 -4.881 -3.176 616 1HG1 VAL 77 1HG1 VAL 77 -7.108 -7.327 -3.761 617 2HG1 VAL 77 2HG1 VAL 77 -8.315 -7.022 -2.515 618 3HG1 VAL 77 3HG1 VAL 77 -6.646 -6.509 -2.268 619 1HG2 VAL 77 1HG2 VAL 77 -5.662 -4.817 -3.626 620 2HG2 VAL 77 2HG2 VAL 77 -6.596 -3.989 -2.380 621 3HG2 VAL 77 3HG2 VAL 77 -6.705 -3.462 -4.059 622 H SER 78 H SER 78 -7.526 -5.270 -7.568 623 HA SER 78 HA SER 78 -5.589 -7.241 -8.096 624 1HB SER 78 2HB SER 78 -6.943 -5.112 -9.408 625 2HB SER 78 1HB SER 78 -5.232 -4.950 -9.788 626 HG SER 78 HG SER 78 -7.023 -6.766 -10.659 627 H VAL 79 H VAL 79 -5.126 -3.825 -7.298 628 HA VAL 79 HA VAL 79 -2.488 -3.335 -7.783 629 HB VAL 79 HB VAL 79 -3.933 -1.721 -6.821 630 1HG1 VAL 79 1HG1 VAL 79 -4.610 -2.143 -4.302 631 2HG1 VAL 79 2HG1 VAL 79 -4.366 -3.831 -4.749 632 3HG1 VAL 79 3HG1 VAL 79 -5.552 -2.853 -5.613 633 1HG2 VAL 79 1HG2 VAL 79 -2.689 -0.809 -4.951 634 2HG2 VAL 79 2HG2 VAL 79 -1.519 -1.602 -5.999 635 3HG2 VAL 79 3HG2 VAL 79 -2.067 -2.399 -4.527 636 H LYS 80 H LYS 80 -0.698 -3.105 -6.237 637 HA LYS 80 HA LYS 80 -0.284 -4.665 -3.900 638 1HB LYS 80 2HB LYS 80 1.358 -6.241 -5.269 639 2HB LYS 80 1HB LYS 80 -0.349 -6.644 -5.158 640 1HG LYS 80 2HG LYS 80 0.549 -6.840 -7.479 641 2HG LYS 80 1HG LYS 80 -0.759 -5.673 -7.360 642 1HD LYS 80 2HD LYS 80 0.687 -3.837 -7.568 643 2HD LYS 80 1HD LYS 80 2.095 -4.773 -7.066 644 1HE LYS 80 2HE LYS 80 1.663 -6.166 -9.232 645 2HE LYS 80 1HE LYS 80 0.702 -4.763 -9.740 646 1HZ LYS 80 1HZ LYS 80 3.495 -4.642 -8.729 647 2HZ LYS 80 2HZ LYS 80 2.569 -3.327 -9.273 648 3HZ LYS 80 3HZ LYS 80 3.053 -4.536 -10.363 649 HA PRO 81 HA PRO 81 3.464 -2.282 -4.014 650 1HB PRO 81 2HB PRO 81 5.407 -4.060 -3.231 651 2HB PRO 81 1HB PRO 81 4.236 -3.343 -2.103 652 1HG PRO 81 2HG PRO 81 4.170 -6.012 -3.447 653 2HG PRO 81 1HG PRO 81 3.817 -5.589 -1.763 654 1HD PRO 81 2HD PRO 81 1.838 -5.995 -3.524 655 2HD PRO 81 1HD PRO 81 1.713 -4.741 -2.269 656 H GLY 82 H GLY 82 5.314 -1.933 -5.382 657 1HA GLY 82 2HA GLY 82 5.576 -3.874 -7.649 658 2HA GLY 82 1HA GLY 82 5.653 -2.123 -7.880 659 H GLU 83 H GLU 83 7.471 -0.975 -6.948 660 HA GLU 83 HA GLU 83 9.989 -2.497 -7.055 661 1HB GLU 83 2HB GLU 83 9.629 -0.125 -7.857 662 2HB GLU 83 1HB GLU 83 9.417 0.351 -6.169 663 1HG GLU 83 2HG GLU 83 11.623 -0.084 -5.621 664 2HG GLU 83 1HG GLU 83 11.825 -1.249 -6.930 665 H SER 84 H SER 84 8.280 -3.454 -5.083 666 HA SER 84 HA SER 84 7.961 -3.390 -2.654 667 1HB SER 84 2HB SER 84 10.001 -4.981 -4.014 668 2HB SER 84 1HB SER 84 10.285 -4.847 -2.281 669 HG SER 84 HG SER 84 8.391 -5.818 -1.885 670 H LEU 85 H LEU 85 8.943 -0.853 -3.200 671 HA LEU 85 HA LEU 85 10.857 0.585 -2.609 672 1HB LEU 85 2HB LEU 85 10.372 -0.203 0.209 673 2HB LEU 85 1HB LEU 85 10.203 1.381 -0.540 674 HG LEU 85 HG LEU 85 8.197 -0.894 -0.690 675 1HD1 LEU 85 1HD1 LEU 85 8.592 1.349 1.123 676 2HD1 LEU 85 2HD1 LEU 85 7.480 -0.010 1.253 677 3HD1 LEU 85 3HD1 LEU 85 7.015 1.421 0.339 678 1HD2 LEU 85 1HD2 LEU 85 8.606 0.974 -2.636 679 2HD2 LEU 85 2HD2 LEU 85 7.469 1.829 -1.594 680 3HD2 LEU 85 3HD2 LEU 85 7.035 0.263 -2.275 681 H LYS 86 H LYS 86 11.249 -2.197 -3.175 682 HA LYS 86 HA LYS 86 13.130 -3.649 -1.580 683 1HB LYS 86 2HB LYS 86 11.873 -4.625 -3.426 684 2HB LYS 86 1HB LYS 86 12.291 -3.287 -4.486 685 1HG LYS 86 2HG LYS 86 14.771 -4.266 -3.940 686 2HG LYS 86 1HG LYS 86 13.817 -5.750 -3.867 687 1HD LYS 86 2HD LYS 86 12.851 -5.283 -6.069 688 2HD LYS 86 1HD LYS 86 13.715 -3.747 -6.147 689 1HE LYS 86 2HE LYS 86 15.781 -4.769 -6.511 690 2HE LYS 86 1HE LYS 86 15.293 -6.272 -5.701 691 1HZ LYS 86 1HZ LYS 86 14.313 -5.256 -8.316 692 2HZ LYS 86 2HZ LYS 86 13.646 -6.590 -7.503 693 3HZ LYS 86 3HZ LYS 86 15.252 -6.644 -8.054 694 H LYS 87 H LYS 87 13.073 -1.350 -4.117 695 HA LYS 87 HA LYS 87 15.862 -0.910 -4.401 696 1HB LYS 87 2HB LYS 87 13.899 -0.437 -5.983 697 2HB LYS 87 1HB LYS 87 13.480 0.907 -4.922 698 1HG LYS 87 2HG LYS 87 14.812 2.026 -6.458 699 2HG LYS 87 1HG LYS 87 16.045 1.543 -5.293 700 1HD LYS 87 2HD LYS 87 16.432 -0.532 -6.659 701 2HD LYS 87 1HD LYS 87 15.329 0.121 -7.871 702 1HE LYS 87 2HE LYS 87 16.789 1.885 -8.434 703 2HE LYS 87 1HE LYS 87 17.685 1.749 -6.908 704 1HZ LYS 87 1HZ LYS 87 18.299 -0.543 -7.619 705 2HZ LYS 87 2HZ LYS 87 18.975 0.683 -8.582 706 3HZ LYS 87 3HZ LYS 87 17.639 -0.204 -9.145 707 H ALA 88 H ALA 88 13.146 0.309 -2.488 708 HA ALA 88 HA ALA 88 14.641 2.467 -1.224 709 1HB ALA 88 1HB ALA 88 12.379 1.240 0.215 710 2HB ALA 88 2HB ALA 88 12.020 1.656 -1.460 711 3HB ALA 88 3HB ALA 88 12.587 2.897 -0.350 712 H ALA 89 H ALA 89 14.198 -0.963 -0.701 713 HA ALA 89 HA ALA 89 15.042 -1.139 2.016 714 1HB ALA 89 1HB ALA 89 14.017 -2.938 0.607 715 2HB ALA 89 2HB ALA 89 15.484 -3.477 1.425 716 3HB ALA 89 3HB ALA 89 15.534 -3.054 -0.282 717 H GLU 90 H GLU 90 16.972 -1.356 -0.981 718 HA GLU 90 HA GLU 90 19.519 -1.543 0.301 719 1HB GLU 90 2HB GLU 90 20.312 -1.236 -1.865 720 2HB GLU 90 1HB GLU 90 18.633 -1.600 -2.245 721 1HG GLU 90 2HG GLU 90 18.288 0.986 -2.005 722 2HG GLU 90 1HG GLU 90 20.033 1.061 -2.240 723 H GLY 91 H GLY 91 17.254 1.070 -0.231 724 1HA GLY 91 2HA GLY 91 19.022 3.262 0.371 725 2HA GLY 91 1HA GLY 91 17.264 3.314 0.440 726 H LEU 92 H LEU 92 17.079 1.094 2.501 727 HA LEU 92 HA LEU 92 17.604 2.823 4.843 728 1HB LEU 92 2HB LEU 92 16.159 1.352 5.966 729 2HB LEU 92 1HB LEU 92 15.572 1.250 4.320 730 HG LEU 92 HG LEU 92 17.514 -0.702 4.337 731 1HD1 LEU 92 1HD1 LEU 92 17.949 -1.310 6.466 732 2HD1 LEU 92 2HD1 LEU 92 16.259 -1.781 6.628 733 3HD1 LEU 92 3HD1 LEU 92 16.769 -0.155 7.083 734 1HD2 LEU 92 1HD2 LEU 92 14.820 -0.512 3.847 735 2HD2 LEU 92 2HD2 LEU 92 14.848 -1.609 5.227 736 3HD2 LEU 92 3HD2 LEU 92 15.743 -2.012 3.762 737 H LYS 93 H LYS 93 19.866 1.406 3.252 738 HA LYS 93 HA LYS 93 21.878 0.275 3.818 739 1HB LYS 93 2HB LYS 93 20.895 1.656 6.291 740 2HB LYS 93 1HB LYS 93 22.174 0.460 6.500 741 1HG LYS 93 2HG LYS 93 22.324 2.695 4.463 742 2HG LYS 93 1HG LYS 93 22.981 2.831 6.095 743 1HD LYS 93 2HD LYS 93 23.943 0.373 5.149 744 2HD LYS 93 1HD LYS 93 24.094 1.470 3.776 745 1HE LYS 93 2HE LYS 93 25.047 3.107 5.681 746 2HE LYS 93 1HE LYS 93 25.479 1.552 6.420 747 1HZ LYS 93 1HZ LYS 93 27.188 2.348 4.857 748 2HZ LYS 93 2HZ LYS 93 26.045 2.304 3.601 749 3HZ LYS 93 3HZ LYS 93 26.515 0.867 4.374 750 H TYR 94 H TYR 94 19.428 -1.098 3.530 751 HA TYR 94 HA TYR 94 18.366 -2.864 5.257 752 1HB TYR 94 2HB TYR 94 17.708 -3.187 3.082 753 2HB TYR 94 1HB TYR 94 19.351 -3.028 2.453 754 HD1 TYR 94 HD1 TYR 94 20.734 -4.887 2.144 755 HD2 TYR 94 HD2 TYR 94 17.050 -5.271 4.289 756 HE1 TYR 94 HE1 TYR 94 21.017 -7.361 2.187 757 HE2 TYR 94 HE2 TYR 94 17.323 -7.749 4.310 758 HH TYR 94 HH TYR 94 19.976 -9.303 3.955 759 H GLU 95 H GLU 95 21.666 -3.205 3.935 760 HA GLU 95 HA GLU 95 22.352 -5.717 5.033 761 1HB GLU 95 2HB GLU 95 24.675 -4.852 4.849 762 2HB GLU 95 1HB GLU 95 23.714 -4.457 3.425 763 1HG GLU 95 2HG GLU 95 23.200 -2.225 4.624 764 2HG GLU 95 1HG GLU 95 24.546 -2.638 5.685 765 H ASP 96 H ASP 96 22.543 -2.480 6.499 766 HA ASP 96 HA ASP 96 23.683 -3.278 9.011 767 1HB ASP 96 2HB ASP 96 21.968 -1.006 7.997 768 2HB ASP 96 1HB ASP 96 22.374 -1.114 9.709 769 H PHE 97 H PHE 97 20.425 -3.223 7.687 770 HA PHE 97 HA PHE 97 19.093 -3.930 10.198 771 1HB PHE 97 2HB PHE 97 18.407 -2.870 7.737 772 2HB PHE 97 1HB PHE 97 17.771 -4.511 7.627 773 HD1 PHE 97 HD1 PHE 97 17.571 -1.298 9.413 774 HD2 PHE 97 HD2 PHE 97 16.022 -5.293 9.136 775 HE1 PHE 97 HE1 PHE 97 15.654 -0.655 10.850 776 HE2 PHE 97 HE2 PHE 97 14.106 -4.653 10.573 777 HZ PHE 97 HZ PHE 97 13.921 -2.333 11.431 778 H ALA 98 H ALA 98 20.698 -5.605 7.605 779 HA ALA 98 HA ALA 98 19.426 -8.189 7.913 780 1HB ALA 98 1HB ALA 98 20.943 -8.794 6.248 781 2HB ALA 98 2HB ALA 98 22.235 -7.809 6.934 782 3HB ALA 98 3HB ALA 98 20.925 -7.042 6.036 783 H LYS 99 H LYS 99 22.249 -6.614 9.352 784 HA LYS 99 HA LYS 99 22.928 -9.076 10.877 785 1HB LYS 99 2HB LYS 99 24.244 -6.346 10.650 786 2HB LYS 99 1HB LYS 99 24.942 -7.752 11.457 787 1HG LYS 99 2HG LYS 99 24.941 -8.999 9.346 788 2HG LYS 99 1HG LYS 99 24.178 -7.638 8.524 789 1HD LYS 99 2HD LYS 99 26.282 -6.345 9.581 790 2HD LYS 99 1HD LYS 99 26.991 -7.955 9.450 791 1HE LYS 99 2HE LYS 99 26.967 -7.922 7.145 792 2HE LYS 99 1HE LYS 99 25.476 -6.963 7.077 793 1HZ LYS 99 1HZ LYS 99 27.328 -5.576 6.461 794 2HZ LYS 99 2HZ LYS 99 28.169 -5.990 7.879 795 3HZ LYS 99 3HZ LYS 99 26.744 -5.069 7.971 796 1H MET 1 1H MET 1 -7.212 7.449 -10.837 797 2H MET 1 2H MET 1 -5.813 6.486 -10.879 798 3H MET 1 3H MET 1 -6.147 7.560 -12.153 799 HA MET 1 HA MET 1 -5.811 9.455 -10.722 800 1HB MET 1 2HB MET 1 -6.266 7.325 -8.814 801 2HB MET 1 1HB MET 1 -4.813 8.228 -8.389 802 1HG MET 1 2HG MET 1 -5.973 10.192 -8.030 803 2HG MET 1 1HG MET 1 -7.239 9.779 -9.185 804 1HE MET 1 1HE MET 1 -6.996 9.660 -4.906 805 2HE MET 1 2HE MET 1 -5.689 9.795 -6.081 806 3HE MET 1 3HE MET 1 -6.043 8.235 -5.341 807 H ASN 2 H ASN 2 -3.439 9.560 -9.218 808 HA ASN 2 HA ASN 2 -1.318 7.891 -10.121 809 1HB ASN 2 2HB ASN 2 -2.393 9.698 -12.064 810 2HB ASN 2 1HB ASN 2 -0.758 10.221 -11.665 811 1HD2 ASN 2 1HD2 ASN 2 -2.585 7.902 -13.446 812 2HD2 ASN 2 2HD2 ASN 2 -1.288 6.914 -13.916 813 H LYS 3 H LYS 3 0.889 9.131 -9.998 814 HA LYS 3 HA LYS 3 1.315 10.181 -7.440 815 1HB LYS 3 2HB LYS 3 2.722 9.890 -9.933 816 2HB LYS 3 1HB LYS 3 3.063 11.500 -9.301 817 1HG LYS 3 2HG LYS 3 3.378 10.125 -7.025 818 2HG LYS 3 1HG LYS 3 3.752 8.824 -8.154 819 1HD LYS 3 2HD LYS 3 5.437 10.287 -9.254 820 2HD LYS 3 1HD LYS 3 5.097 11.548 -8.077 821 1HE LYS 3 2HE LYS 3 6.364 10.522 -6.447 822 2HE LYS 3 1HE LYS 3 5.764 8.909 -6.880 823 1HZ LYS 3 1HZ LYS 3 7.142 8.897 -8.821 824 2HZ LYS 3 2HZ LYS 3 8.121 9.256 -7.479 825 3HZ LYS 3 3HZ LYS 3 7.645 10.492 -8.543 826 H THR 4 H THR 4 0.086 11.768 -10.325 827 HA THR 4 HA THR 4 0.122 14.449 -9.020 828 HB THR 4 HB THR 4 -0.511 13.386 -11.785 829 HG1 THR 4 HG1 THR 4 1.342 14.467 -12.305 830 1HG2 THR 4 1HG2 THR 4 -0.460 16.061 -12.150 831 2HG2 THR 4 2HG2 THR 4 -1.165 16.002 -10.534 832 3HG2 THR 4 3HG2 THR 4 -1.954 15.165 -11.871 833 H GLU 5 H GLU 5 -2.189 12.131 -10.455 834 HA GLU 5 HA GLU 5 -4.558 13.580 -9.909 835 1HB GLU 5 2HB GLU 5 -3.776 11.020 -10.830 836 2HB GLU 5 1HB GLU 5 -4.904 10.744 -9.506 837 1HG GLU 5 2HG GLU 5 -6.656 11.410 -10.760 838 2HG GLU 5 1HG GLU 5 -5.834 12.901 -11.214 839 H LEU 6 H LEU 6 -2.864 11.137 -7.907 840 HA LEU 6 HA LEU 6 -4.509 11.343 -5.577 841 1HB LEU 6 2HB LEU 6 -1.712 10.571 -6.268 842 2HB LEU 6 1HB LEU 6 -2.022 10.921 -4.568 843 HG LEU 6 HG LEU 6 -3.765 9.068 -6.197 844 1HD1 LEU 6 1HD1 LEU 6 -1.457 8.184 -6.141 845 2HD1 LEU 6 2HD1 LEU 6 -2.519 7.217 -5.118 846 3HD1 LEU 6 3HD1 LEU 6 -1.419 8.387 -4.390 847 1HD2 LEU 6 1HD2 LEU 6 -4.743 10.014 -4.134 848 2HD2 LEU 6 2HD2 LEU 6 -3.346 9.457 -3.213 849 3HD2 LEU 6 3HD2 LEU 6 -4.442 8.286 -3.946 850 H ILE 7 H ILE 7 -1.861 13.401 -6.786 851 HA ILE 7 HA ILE 7 -1.401 15.050 -4.553 852 HB ILE 7 HB ILE 7 -0.833 15.022 -7.329 853 1HG1 ILE 7 2HG1 ILE 7 -0.016 16.951 -5.150 854 2HG1 ILE 7 1HG1 ILE 7 0.797 15.451 -5.583 855 1HG2 ILE 7 1HG2 ILE 7 -2.654 16.592 -7.759 856 2HG2 ILE 7 2HG2 ILE 7 -1.121 17.441 -7.903 857 3HG2 ILE 7 3HG2 ILE 7 -2.099 17.635 -6.451 858 1HD1 ILE 7 1HD1 ILE 7 2.072 16.989 -6.790 859 2HD1 ILE 7 2HD1 ILE 7 0.700 18.051 -7.078 860 3HD1 ILE 7 3HD1 ILE 7 0.865 16.553 -7.993 861 H LYS 8 H LYS 8 -3.873 15.342 -7.092 862 HA LYS 8 HA LYS 8 -5.262 17.587 -5.985 863 1HB LYS 8 2HB LYS 8 -6.347 15.248 -7.591 864 2HB LYS 8 1HB LYS 8 -7.065 16.854 -7.481 865 1HG LYS 8 2HG LYS 8 -4.981 17.798 -8.503 866 2HG LYS 8 1HG LYS 8 -4.394 16.151 -8.731 867 1HD LYS 8 2HD LYS 8 -6.836 17.431 -9.980 868 2HD LYS 8 1HD LYS 8 -5.419 16.781 -10.804 869 1HE LYS 8 2HE LYS 8 -6.016 14.499 -9.960 870 2HE LYS 8 1HE LYS 8 -7.494 15.181 -9.256 871 1HZ LYS 8 1HZ LYS 8 -8.104 16.028 -11.436 872 2HZ LYS 8 2HZ LYS 8 -7.905 14.342 -11.495 873 3HZ LYS 8 3HZ LYS 8 -6.698 15.365 -12.116 874 H ALA 9 H ALA 9 -5.528 14.086 -5.482 875 HA ALA 9 HA ALA 9 -7.878 13.941 -3.913 876 1HB ALA 9 1HB ALA 9 -5.898 12.286 -4.735 877 2HB ALA 9 2HB ALA 9 -7.054 11.846 -3.480 878 3HB ALA 9 3HB ALA 9 -5.460 12.455 -3.035 879 H ILE 10 H ILE 10 -4.606 15.009 -3.092 880 HA ILE 10 HA ILE 10 -5.432 15.533 -0.301 881 HB ILE 10 HB ILE 10 -2.990 14.922 -1.865 882 1HG1 ILE 10 2HG1 ILE 10 -2.407 14.127 0.587 883 2HG1 ILE 10 1HG1 ILE 10 -4.135 14.371 0.841 884 1HG2 ILE 10 1HG2 ILE 10 -2.470 17.250 -1.160 885 2HG2 ILE 10 2HG2 ILE 10 -1.431 16.061 -0.380 886 3HG2 ILE 10 3HG2 ILE 10 -2.761 16.783 0.512 887 1HD1 ILE 10 1HD1 ILE 10 -4.544 12.399 -0.153 888 2HD1 ILE 10 2HD1 ILE 10 -2.825 12.189 -0.487 889 3HD1 ILE 10 3HD1 ILE 10 -3.852 13.031 -1.647 890 H ALA 11 H ALA 11 -4.300 17.056 -3.277 891 HA ALA 11 HA ALA 11 -4.022 19.736 -2.248 892 1HB ALA 11 1HB ALA 11 -4.941 19.137 -5.034 893 2HB ALA 11 2HB ALA 11 -3.378 18.511 -4.514 894 3HB ALA 11 3HB ALA 11 -3.684 20.244 -4.489 895 H GLN 12 H GLN 12 -6.756 17.779 -3.172 896 HA GLN 12 HA GLN 12 -8.580 20.113 -3.048 897 1HB GLN 12 2HB GLN 12 -9.038 17.148 -3.586 898 2HB GLN 12 1HB GLN 12 -10.254 18.412 -3.770 899 1HG GLN 12 2HG GLN 12 -7.648 18.723 -5.214 900 2HG GLN 12 1HG GLN 12 -8.836 17.589 -5.856 901 1HE2 GLN 12 1HE2 GLN 12 -10.767 18.453 -6.808 902 2HE2 GLN 12 2HE2 GLN 12 -11.022 20.119 -7.011 903 H ASP 13 H ASP 13 -7.761 17.084 -1.344 904 HA ASP 13 HA ASP 13 -9.753 17.447 0.745 905 1HB ASP 13 2HB ASP 13 -7.231 15.849 0.317 906 2HB ASP 13 1HB ASP 13 -7.973 15.886 1.916 907 H THR 14 H THR 14 -6.716 18.825 -0.102 908 HA THR 14 HA THR 14 -6.235 20.010 2.564 909 HB THR 14 HB THR 14 -4.241 20.945 1.287 910 HG1 THR 14 HG1 THR 14 -4.125 20.686 -0.746 911 1HG2 THR 14 1HG2 THR 14 -3.495 18.394 0.692 912 2HG2 THR 14 2HG2 THR 14 -4.814 18.120 1.830 913 3HG2 THR 14 3HG2 THR 14 -3.426 19.096 2.302 914 H GLY 15 H GLY 15 -5.889 21.425 -0.678 915 1HA GLY 15 2HA GLY 15 -6.719 23.450 -1.560 916 2HA GLY 15 1HA GLY 15 -8.140 23.208 -0.541 917 H LEU 16 H LEU 16 -5.267 23.156 1.243 918 HA LEU 16 HA LEU 16 -5.896 25.726 2.546 919 1HB LEU 16 2HB LEU 16 -3.629 23.742 2.934 920 2HB LEU 16 1HB LEU 16 -4.050 25.046 4.040 921 HG LEU 16 HG LEU 16 -6.446 23.756 3.749 922 1HD1 LEU 16 1HD1 LEU 16 -6.195 21.501 3.479 923 2HD1 LEU 16 2HD1 LEU 16 -4.617 21.481 4.250 924 3HD1 LEU 16 3HD1 LEU 16 -4.766 21.992 2.575 925 1HD2 LEU 16 1HD2 LEU 16 -5.372 22.495 5.938 926 2HD2 LEU 16 2HD2 LEU 16 -5.984 24.147 5.961 927 3HD2 LEU 16 3HD2 LEU 16 -4.259 23.849 5.744 928 H THR 17 H THR 17 -2.912 24.334 1.322 929 HA THR 17 HA THR 17 -2.227 26.898 0.000 930 HB THR 17 HB THR 17 -1.338 26.094 2.493 931 HG1 THR 17 HG1 THR 17 0.218 27.720 2.167 932 1HG2 THR 17 1HG2 THR 17 1.050 25.501 2.166 933 2HG2 THR 17 2HG2 THR 17 0.750 25.316 0.442 934 3HG2 THR 17 3HG2 THR 17 -0.052 24.253 1.598 935 H GLN 18 H GLN 18 -2.765 23.689 -0.361 936 HA GLN 18 HA GLN 18 -2.020 22.057 -1.893 937 1HB GLN 18 2HB GLN 18 -0.568 24.361 -3.233 938 2HB GLN 18 1HB GLN 18 -1.265 22.934 -3.996 939 1HG GLN 18 2HG GLN 18 -3.487 23.926 -2.847 940 2HG GLN 18 1HG GLN 18 -2.595 25.430 -3.077 941 1HE2 GLN 18 1HE2 GLN 18 -1.900 25.947 -5.343 942 2HE2 GLN 18 2HE2 GLN 18 -2.762 25.291 -6.651 943 H VAL 19 H VAL 19 -0.509 23.100 0.477 944 HA VAL 19 HA VAL 19 1.779 23.343 1.234 945 HB VAL 19 HB VAL 19 1.026 21.488 2.347 946 1HG1 VAL 19 1HG1 VAL 19 -0.657 20.818 0.783 947 2HG1 VAL 19 2HG1 VAL 19 0.261 19.385 1.241 948 3HG1 VAL 19 3HG1 VAL 19 0.553 20.159 -0.316 949 1HG2 VAL 19 1HG2 VAL 19 3.476 20.884 1.047 950 2HG2 VAL 19 2HG2 VAL 19 2.509 19.414 1.048 951 3HG2 VAL 19 3HG2 VAL 19 2.859 20.236 2.562 952 H SER 20 H SER 20 2.511 20.564 -0.625 953 HA SER 20 HA SER 20 4.078 22.111 -2.569 954 1HB SER 20 2HB SER 20 6.062 21.127 -1.897 955 2HB SER 20 1HB SER 20 5.227 21.073 -0.355 956 HG SER 20 HG SER 20 4.687 18.976 -0.720 957 H VAL 21 H VAL 21 1.508 20.496 -2.340 958 HA VAL 21 HA VAL 21 0.879 18.188 -3.089 959 HB VAL 21 HB VAL 21 -0.187 18.976 -5.223 960 1HG1 VAL 21 1HG1 VAL 21 -1.318 21.005 -4.006 961 2HG1 VAL 21 2HG1 VAL 21 -0.357 20.461 -2.632 962 3HG1 VAL 21 3HG1 VAL 21 -1.526 19.372 -3.374 963 1HG2 VAL 21 1HG2 VAL 21 1.462 21.437 -4.589 964 2HG2 VAL 21 2HG2 VAL 21 0.093 21.439 -5.701 965 3HG2 VAL 21 3HG2 VAL 21 1.521 20.469 -6.063 966 H SER 22 H SER 22 3.114 19.962 -5.038 967 HA SER 22 HA SER 22 3.757 17.735 -6.836 968 1HB SER 22 2HB SER 22 4.017 20.018 -7.578 969 2HB SER 22 1HB SER 22 5.035 20.406 -6.195 970 HG SER 22 HG SER 22 6.681 19.382 -7.102 971 H LYS 23 H LYS 23 5.286 19.151 -3.940 972 HA LYS 23 HA LYS 23 7.386 17.104 -4.059 973 1HB LYS 23 2HB LYS 23 8.392 19.058 -3.466 974 2HB LYS 23 1HB LYS 23 6.911 19.731 -2.798 975 1HG LYS 23 2HG LYS 23 7.195 18.608 -0.738 976 2HG LYS 23 1HG LYS 23 8.381 17.497 -1.417 977 1HD LYS 23 2HD LYS 23 9.563 19.143 -0.080 978 2HD LYS 23 1HD LYS 23 9.912 19.457 -1.781 979 1HE LYS 23 2HE LYS 23 8.297 21.265 -1.851 980 2HE LYS 23 1HE LYS 23 7.735 20.876 -0.214 981 1HZ LYS 23 1HZ LYS 23 10.512 21.648 -0.940 982 2HZ LYS 23 2HZ LYS 23 9.958 21.282 0.624 983 3HZ LYS 23 3HZ LYS 23 9.386 22.663 -0.181 984 H MET 24 H MET 24 4.391 17.764 -2.159 985 HA MET 24 HA MET 24 5.224 15.888 -0.087 986 1HB MET 24 2HB MET 24 2.540 15.939 0.173 987 2HB MET 24 1HB MET 24 3.585 17.200 0.806 988 1HG MET 24 2HG MET 24 2.795 18.741 -0.657 989 2HG MET 24 1HG MET 24 2.795 17.603 -2.001 990 1HE MET 24 1HE MET 24 -0.259 16.432 -2.660 991 2HE MET 24 2HE MET 24 0.614 15.291 -1.639 992 3HE MET 24 3HE MET 24 1.506 16.352 -2.727 993 H LEU 25 H LEU 25 3.730 15.669 -3.256 994 HA LEU 25 HA LEU 25 2.882 12.875 -2.819 995 1HB LEU 25 2HB LEU 25 1.742 13.264 -4.745 996 2HB LEU 25 1HB LEU 25 2.219 14.941 -4.528 997 HG LEU 25 HG LEU 25 4.341 14.369 -5.819 998 1HD1 LEU 25 1HD1 LEU 25 3.348 12.253 -7.384 999 2HD1 LEU 25 2HD1 LEU 25 3.051 11.769 -5.715 1000 3HD1 LEU 25 3HD1 LEU 25 4.686 12.176 -6.238 1001 1HD2 LEU 25 1HD2 LEU 25 3.035 15.567 -7.234 1002 2HD2 LEU 25 2HD2 LEU 25 1.601 14.608 -6.882 1003 3HD2 LEU 25 3HD2 LEU 25 2.796 14.013 -8.027 1004 H ALA 26 H ALA 26 5.432 14.671 -4.562 1005 HA ALA 26 HA ALA 26 6.876 12.361 -5.490 1006 1HB ALA 26 1HB ALA 26 7.019 14.866 -6.159 1007 2HB ALA 26 2HB ALA 26 8.542 13.985 -6.045 1008 3HB ALA 26 3HB ALA 26 8.043 15.054 -4.735 1009 H SER 27 H SER 27 6.648 14.125 -2.489 1010 HA SER 27 HA SER 27 8.980 12.810 -1.273 1011 1HB SER 27 2HB SER 27 8.396 15.078 -0.607 1012 2HB SER 27 1HB SER 27 6.751 14.575 -0.222 1013 HG SER 27 HG SER 27 7.535 13.364 1.464 1014 H PHE 28 H PHE 28 5.442 12.635 -1.167 1015 HA PHE 28 HA PHE 28 5.029 10.776 0.897 1016 1HB PHE 28 2HB PHE 28 3.078 11.575 -0.002 1017 2HB PHE 28 1HB PHE 28 3.729 11.606 -1.636 1018 HD1 PHE 28 HD1 PHE 28 2.328 9.346 0.993 1019 HD2 PHE 28 HD2 PHE 28 3.383 9.781 -3.147 1020 HE1 PHE 28 HE1 PHE 28 1.025 7.347 0.444 1021 HE2 PHE 28 HE2 PHE 28 2.086 7.779 -3.691 1022 HZ PHE 28 HZ PHE 28 0.898 6.537 -1.891 1023 H GLU 29 H GLU 29 5.761 10.139 -2.526 1024 HA GLU 29 HA GLU 29 5.943 7.268 -2.109 1025 1HB GLU 29 2HB GLU 29 6.375 9.304 -4.263 1026 2HB GLU 29 1HB GLU 29 7.055 7.688 -4.489 1027 1HG GLU 29 2HG GLU 29 5.026 6.780 -4.798 1028 2HG GLU 29 1HG GLU 29 4.386 7.578 -3.371 1029 H LYS 30 H LYS 30 7.982 10.071 -2.114 1030 HA LYS 30 HA LYS 30 10.509 8.645 -1.946 1031 1HB LYS 30 2HB LYS 30 10.049 11.095 -2.616 1032 2HB LYS 30 1HB LYS 30 9.888 11.408 -0.889 1033 1HG LYS 30 2HG LYS 30 12.129 10.891 -0.456 1034 2HG LYS 30 1HG LYS 30 12.298 9.952 -1.940 1035 1HD LYS 30 2HD LYS 30 13.307 11.831 -2.735 1036 2HD LYS 30 1HD LYS 30 11.654 12.403 -2.955 1037 1HE LYS 30 2HE LYS 30 11.712 13.472 -0.728 1038 2HE LYS 30 1HE LYS 30 13.373 12.892 -0.495 1039 1HZ LYS 30 1HZ LYS 30 13.483 15.089 -1.396 1040 2HZ LYS 30 2HZ LYS 30 12.395 14.697 -2.642 1041 3HZ LYS 30 3HZ LYS 30 13.948 14.006 -2.617 1042 H ILE 31 H ILE 31 7.901 9.334 0.279 1043 HA ILE 31 HA ILE 31 9.701 8.647 2.547 1044 HB ILE 31 HB ILE 31 7.738 9.459 3.891 1045 1HG1 ILE 31 2HG1 ILE 31 6.743 11.157 1.787 1046 2HG1 ILE 31 1HG1 ILE 31 6.455 9.455 1.455 1047 1HG2 ILE 31 1HG2 ILE 31 9.837 10.729 3.384 1048 2HG2 ILE 31 2HG2 ILE 31 8.432 11.760 3.659 1049 3HG2 ILE 31 3HG2 ILE 31 8.996 11.456 2.015 1050 1HD1 ILE 31 1HD1 ILE 31 5.394 11.152 3.625 1051 2HD1 ILE 31 2HD1 ILE 31 5.815 9.496 4.061 1052 3HD1 ILE 31 3HD1 ILE 31 4.637 9.801 2.786 1053 H ILE 32 H ILE 32 6.858 7.711 0.790 1054 HA ILE 32 HA ILE 32 6.097 5.499 2.499 1055 HB ILE 32 HB ILE 32 5.726 5.971 -0.482 1056 1HG1 ILE 32 2HG1 ILE 32 4.703 7.471 1.588 1057 2HG1 ILE 32 1HG1 ILE 32 3.911 7.270 0.028 1058 1HG2 ILE 32 1HG2 ILE 32 3.748 4.373 -0.064 1059 2HG2 ILE 32 2HG2 ILE 32 4.559 3.947 1.442 1060 3HG2 ILE 32 3HG2 ILE 32 5.359 3.658 -0.104 1061 1HD1 ILE 32 1HD1 ILE 32 2.480 5.553 0.867 1062 2HD1 ILE 32 2HD1 ILE 32 2.468 6.821 2.093 1063 3HD1 ILE 32 3HD1 ILE 32 3.443 5.371 2.334 1064 H THR 33 H THR 33 7.633 5.520 -0.690 1065 HA THR 33 HA THR 33 8.663 2.889 -0.446 1066 HB THR 33 HB THR 33 8.614 5.092 -2.304 1067 HG1 THR 33 HG1 THR 33 7.835 3.182 -2.934 1068 1HG2 THR 33 1HG2 THR 33 10.956 5.439 -1.848 1069 2HG2 THR 33 2HG2 THR 33 10.806 4.631 -3.408 1070 3HG2 THR 33 3HG2 THR 33 11.278 3.711 -1.978 1071 H GLU 34 H GLU 34 10.091 6.129 0.096 1072 HA GLU 34 HA GLU 34 12.681 5.143 0.862 1073 1HB GLU 34 2HB GLU 34 11.160 7.694 1.392 1074 2HB GLU 34 1HB GLU 34 12.892 7.507 1.636 1075 1HG GLU 34 2HG GLU 34 11.447 7.100 -1.022 1076 2HG GLU 34 1HG GLU 34 12.431 8.504 -0.611 1077 H THR 35 H THR 35 9.645 5.596 2.711 1078 HA THR 35 HA THR 35 10.804 5.603 5.346 1079 HB THR 35 HB THR 35 8.181 4.703 4.162 1080 HG1 THR 35 HG1 THR 35 8.637 6.895 4.804 1081 1HG2 THR 35 1HG2 THR 35 9.383 3.821 6.742 1082 2HG2 THR 35 2HG2 THR 35 8.218 2.998 5.708 1083 3HG2 THR 35 3HG2 THR 35 7.687 4.294 6.775 1084 H VAL 36 H VAL 36 9.658 2.933 3.265 1085 HA VAL 36 HA VAL 36 10.629 0.825 4.959 1086 HB VAL 36 HB VAL 36 10.284 1.197 1.982 1087 1HG1 VAL 36 1HG1 VAL 36 11.914 -0.371 1.680 1088 2HG1 VAL 36 2HG1 VAL 36 10.664 -1.494 2.216 1089 3HG1 VAL 36 3HG1 VAL 36 11.860 -0.893 3.364 1090 1HG2 VAL 36 1HG2 VAL 36 8.715 -0.821 2.585 1091 2HG2 VAL 36 2HG2 VAL 36 8.237 0.813 3.044 1092 3HG2 VAL 36 3HG2 VAL 36 8.952 -0.266 4.241 1093 H ALA 37 H ALA 37 12.253 2.958 2.647 1094 HA ALA 37 HA ALA 37 14.882 1.705 3.025 1095 1HB ALA 37 1HB ALA 37 14.259 4.403 1.844 1096 2HB ALA 37 2HB ALA 37 13.982 2.910 0.960 1097 3HB ALA 37 3HB ALA 37 15.610 3.338 1.471 1098 H LYS 38 H LYS 38 12.952 3.556 4.970 1099 HA LYS 38 HA LYS 38 15.247 5.054 6.175 1100 1HB LYS 38 2HB LYS 38 12.670 5.825 5.417 1101 2HB LYS 38 1HB LYS 38 12.550 5.623 7.164 1102 1HG LYS 38 2HG LYS 38 13.215 7.907 6.730 1103 2HG LYS 38 1HG LYS 38 14.613 7.055 7.389 1104 1HD LYS 38 2HD LYS 38 15.322 8.376 5.466 1105 2HD LYS 38 1HD LYS 38 15.421 6.664 5.056 1106 1HE LYS 38 2HE LYS 38 13.925 6.921 3.371 1107 2HE LYS 38 1HE LYS 38 12.774 7.733 4.451 1108 1HZ LYS 38 1HZ LYS 38 13.914 9.777 4.204 1109 2HZ LYS 38 2HZ LYS 38 13.706 9.166 2.633 1110 3HZ LYS 38 3HZ LYS 38 15.218 9.048 3.401 1111 H GLY 39 H GLY 39 12.850 2.590 6.612 1112 1HA GLY 39 2HA GLY 39 13.358 0.807 8.179 1113 2HA GLY 39 1HA GLY 39 14.051 2.016 9.255 1114 H ASP 40 H ASP 40 10.924 2.162 7.533 1115 HA ASP 40 HA ASP 40 9.589 1.950 10.213 1116 1HB ASP 40 2HB ASP 40 9.971 4.283 8.585 1117 2HB ASP 40 1HB ASP 40 8.249 3.906 8.623 1118 H LYS 41 H LYS 41 7.722 0.756 10.146 1119 HA LYS 41 HA LYS 41 6.906 -0.420 7.560 1120 1HB LYS 41 2HB LYS 41 5.535 -1.868 9.068 1121 2HB LYS 41 1HB LYS 41 7.236 -1.853 9.529 1122 1HG LYS 41 2HG LYS 41 5.956 0.317 10.877 1123 2HG LYS 41 1HG LYS 41 4.965 -1.122 11.114 1124 1HD LYS 41 2HD LYS 41 7.193 -2.320 11.666 1125 2HD LYS 41 1HD LYS 41 7.858 -0.697 11.850 1126 1HE LYS 41 2HE LYS 41 5.614 -0.406 13.330 1127 2HE LYS 41 1HE LYS 41 5.907 -2.140 13.574 1128 1HZ LYS 41 1HZ LYS 41 7.959 -0.009 13.869 1129 2HZ LYS 41 2HZ LYS 41 8.184 -1.669 14.157 1130 3HZ LYS 41 3HZ LYS 41 7.157 -0.760 15.160 1131 H VAL 42 H VAL 42 5.838 1.335 6.556 1132 HA VAL 42 HA VAL 42 3.969 3.099 7.772 1133 HB VAL 42 HB VAL 42 3.921 2.072 4.918 1134 1HG1 VAL 42 1HG1 VAL 42 2.069 3.547 5.492 1135 2HG1 VAL 42 2HG1 VAL 42 3.209 4.435 4.482 1136 3HG1 VAL 42 3HG1 VAL 42 3.176 4.707 6.224 1137 1HG2 VAL 42 1HG2 VAL 42 5.442 4.285 4.760 1138 2HG2 VAL 42 2HG2 VAL 42 6.147 2.688 5.019 1139 3HG2 VAL 42 3HG2 VAL 42 5.889 3.771 6.387 1140 H GLN 43 H GLN 43 1.834 2.864 8.320 1141 HA GLN 43 HA GLN 43 0.422 0.365 7.453 1142 1HB GLN 43 2HB GLN 43 0.128 1.634 10.181 1143 2HB GLN 43 1HB GLN 43 -0.247 -0.020 9.698 1144 1HG GLN 43 2HG GLN 43 2.307 -0.190 9.182 1145 2HG GLN 43 1HG GLN 43 2.441 1.228 10.222 1146 1HE2 GLN 43 1HE2 GLN 43 2.098 0.947 12.502 1147 2HE2 GLN 43 2HE2 GLN 43 1.857 -0.577 13.211 1148 H LEU 44 H LEU 44 -0.816 1.613 5.905 1149 HA LEU 44 HA LEU 44 -2.153 4.074 6.557 1150 1HB LEU 44 2HB LEU 44 -2.750 1.945 4.485 1151 2HB LEU 44 1HB LEU 44 -3.374 3.583 4.476 1152 HG LEU 44 HG LEU 44 -0.574 2.636 3.957 1153 1HD1 LEU 44 1HD1 LEU 44 -0.781 4.231 2.084 1154 2HD1 LEU 44 2HD1 LEU 44 -2.375 4.708 2.663 1155 3HD1 LEU 44 3HD1 LEU 44 -2.105 3.079 2.068 1156 1HD2 LEU 44 1HD2 LEU 44 -1.421 5.323 5.043 1157 2HD2 LEU 44 2HD2 LEU 44 0.046 5.122 4.087 1158 3HD2 LEU 44 3HD2 LEU 44 -0.129 4.274 5.624 1159 H THR 45 H THR 45 -4.679 4.056 6.169 1160 HA THR 45 HA THR 45 -6.018 3.148 8.451 1161 HB THR 45 HB THR 45 -6.881 4.863 6.974 1162 HG1 THR 45 HG1 THR 45 -8.769 4.220 7.558 1163 1HG2 THR 45 1HG2 THR 45 -7.627 4.375 4.691 1164 2HG2 THR 45 2HG2 THR 45 -7.191 2.679 4.885 1165 3HG2 THR 45 3HG2 THR 45 -5.941 3.912 4.868 1166 H GLY 46 H GLY 46 -5.043 0.819 8.455 1167 1HA GLY 46 2HA GLY 46 -5.229 -1.495 7.987 1168 2HA GLY 46 1HA GLY 46 -6.941 -1.151 8.228 1169 H PHE 47 H PHE 47 -4.495 -0.662 5.654 1170 HA PHE 47 HA PHE 47 -6.073 -2.183 3.744 1171 1HB PHE 47 2HB PHE 47 -7.194 -0.481 2.720 1172 2HB PHE 47 1HB PHE 47 -6.921 0.373 4.227 1173 HD1 PHE 47 HD1 PHE 47 -5.319 2.243 4.344 1174 HD2 PHE 47 HD2 PHE 47 -5.815 0.009 0.711 1175 HE1 PHE 47 HE1 PHE 47 -4.162 3.999 3.072 1176 HE2 PHE 47 HE2 PHE 47 -4.637 1.773 -0.529 1177 HZ PHE 47 HZ PHE 47 -3.823 3.777 0.675 1178 H LEU 48 H LEU 48 -3.565 0.283 4.160 1179 HA LEU 48 HA LEU 48 -1.813 -1.269 2.310 1180 1HB LEU 48 2HB LEU 48 -2.757 1.459 2.407 1181 2HB LEU 48 1HB LEU 48 -1.007 1.410 2.417 1182 HG LEU 48 HG LEU 48 -2.625 1.306 0.190 1183 1HD1 LEU 48 1HD1 LEU 48 -0.120 0.074 -0.443 1184 2HD1 LEU 48 2HD1 LEU 48 0.139 1.267 0.827 1185 3HD1 LEU 48 3HD1 LEU 48 -0.617 1.747 -0.685 1186 1HD2 LEU 48 1HD2 LEU 48 -3.111 -1.133 0.870 1187 2HD2 LEU 48 2HD2 LEU 48 -1.444 -1.458 0.412 1188 3HD2 LEU 48 3HD2 LEU 48 -2.579 -0.852 -0.784 1189 H ASN 49 H ASN 49 -0.547 -2.357 3.874 1190 HA ASN 49 HA ASN 49 0.817 -0.677 5.948 1191 1HB ASN 49 2HB ASN 49 -0.758 -3.063 5.968 1192 2HB ASN 49 1HB ASN 49 0.879 -3.469 6.480 1193 1HD2 ASN 49 1HD2 ASN 49 1.406 -2.988 8.636 1194 2HD2 ASN 49 2HD2 ASN 49 0.490 -1.983 9.652 1195 H ILE 50 H ILE 50 2.783 -0.266 4.842 1196 HA ILE 50 HA ILE 50 4.141 -2.499 3.470 1197 HB ILE 50 HB ILE 50 3.903 0.253 3.148 1198 1HG1 ILE 50 2HG1 ILE 50 4.264 -1.404 1.382 1199 2HG1 ILE 50 1HG1 ILE 50 5.450 -0.107 1.254 1200 1HG2 ILE 50 1HG2 ILE 50 5.602 0.694 4.832 1201 2HG2 ILE 50 2HG2 ILE 50 6.224 1.090 3.232 1202 3HG2 ILE 50 3HG2 ILE 50 6.718 -0.405 4.024 1203 1HD1 ILE 50 1HD1 ILE 50 6.821 -1.767 2.868 1204 2HD1 ILE 50 2HD1 ILE 50 6.893 -1.895 1.111 1205 3HD1 ILE 50 3HD1 ILE 50 5.827 -2.958 2.030 1206 H LYS 51 H LYS 51 6.002 -3.509 4.211 1207 HA LYS 51 HA LYS 51 7.431 -2.380 6.545 1208 1HB LYS 51 2HB LYS 51 7.001 -4.419 7.924 1209 2HB LYS 51 1HB LYS 51 5.541 -3.485 7.604 1210 1HG LYS 51 2HG LYS 51 4.644 -5.433 6.883 1211 2HG LYS 51 1HG LYS 51 5.639 -5.210 5.447 1212 1HD LYS 51 2HD LYS 51 5.978 -7.455 6.413 1213 2HD LYS 51 1HD LYS 51 7.459 -6.507 6.504 1214 1HE LYS 51 2HE LYS 51 7.432 -7.224 8.689 1215 2HE LYS 51 1HE LYS 51 6.320 -5.858 8.897 1216 1HZ LYS 51 1HZ LYS 51 5.539 -8.639 8.194 1217 2HZ LYS 51 2HZ LYS 51 4.473 -7.326 8.348 1218 3HZ LYS 51 3HZ LYS 51 5.313 -7.905 9.707 1219 HA PRO 52 HA PRO 52 10.373 -4.788 4.189 1220 1HB PRO 52 2HB PRO 52 12.579 -3.424 4.994 1221 2HB PRO 52 1HB PRO 52 11.462 -2.785 3.775 1222 1HG PRO 52 2HG PRO 52 11.833 -2.002 6.578 1223 2HG PRO 52 1HG PRO 52 11.219 -1.064 5.213 1224 1HD PRO 52 2HD PRO 52 9.708 -2.298 7.271 1225 2HD PRO 52 1HD PRO 52 9.088 -1.495 5.813 1226 H VAL 53 H VAL 53 11.453 -6.594 4.816 1227 HA VAL 53 HA VAL 53 12.359 -6.802 7.648 1228 HB VAL 53 HB VAL 53 11.556 -9.119 7.622 1229 1HG1 VAL 53 1HG1 VAL 53 10.085 -7.044 8.170 1230 2HG1 VAL 53 2HG1 VAL 53 9.264 -8.581 7.901 1231 3HG1 VAL 53 3HG1 VAL 53 9.306 -7.369 6.621 1232 1HG2 VAL 53 1HG2 VAL 53 10.795 -8.364 4.800 1233 2HG2 VAL 53 2HG2 VAL 53 9.972 -9.670 5.645 1234 3HG2 VAL 53 3HG2 VAL 53 11.706 -9.771 5.340 1235 H ALA 54 H ALA 54 14.493 -6.870 7.560 1236 HA ALA 54 HA ALA 54 16.106 -7.566 5.328 1237 1HB ALA 54 1HB ALA 54 16.667 -6.181 7.375 1238 2HB ALA 54 2HB ALA 54 17.921 -7.324 6.893 1239 3HB ALA 54 3HB ALA 54 16.863 -7.698 8.254 1240 H ARG 55 H ARG 55 16.679 -9.553 4.487 1241 HA ARG 55 HA ARG 55 17.495 -11.833 5.937 1242 1HB ARG 55 2HB ARG 55 14.630 -11.340 6.020 1243 2HB ARG 55 1HB ARG 55 14.963 -12.888 5.249 1244 1HG ARG 55 2HG ARG 55 16.024 -13.758 7.142 1245 2HG ARG 55 1HG ARG 55 16.382 -12.160 7.797 1246 1HD ARG 55 2HD ARG 55 14.138 -11.823 8.507 1247 2HD ARG 55 1HD ARG 55 13.536 -13.149 7.492 1248 HE ARG 55 HE ARG 55 15.156 -14.581 9.008 1249 1HH1 ARG 55 1HH1 ARG 55 15.574 -12.179 10.830 1250 2HH1 ARG 55 2HH1 ARG 55 14.424 -12.505 12.085 1251 1HH2 ARG 55 1HH2 ARG 55 12.681 -14.866 10.240 1252 2HH2 ARG 55 2HH2 ARG 55 12.787 -14.026 11.750 1253 H GLN 56 H GLN 56 18.410 -10.878 3.561 1254 HA GLN 56 HA GLN 56 17.763 -13.082 1.682 1255 1HB GLN 56 2HB GLN 56 17.234 -10.146 1.238 1256 2HB GLN 56 1HB GLN 56 17.428 -11.260 -0.112 1257 1HG GLN 56 2HG GLN 56 15.610 -12.685 0.910 1258 2HG GLN 56 1HG GLN 56 15.337 -11.390 2.077 1259 1HE2 GLN 56 1HE2 GLN 56 16.016 -11.267 -1.466 1260 2HE2 GLN 56 2HE2 GLN 56 14.632 -10.360 -1.845 1261 H ALA 57 H ALA 57 19.865 -13.789 1.324 1262 HA ALA 57 HA ALA 57 21.687 -12.309 -0.278 1263 1HB ALA 57 1HB ALA 57 21.849 -11.920 2.665 1264 2HB ALA 57 2HB ALA 57 22.312 -10.828 1.360 1265 3HB ALA 57 3HB ALA 57 23.383 -12.150 1.825 1266 H ARG 58 H ARG 58 22.747 -13.973 -1.275 1267 HA ARG 58 HA ARG 58 24.150 -16.020 0.256 1268 1HB ARG 58 2HB ARG 58 22.477 -17.527 0.359 1269 2HB ARG 58 1HB ARG 58 21.394 -16.340 -0.353 1270 1HG ARG 58 2HG ARG 58 22.017 -17.092 -2.603 1271 2HG ARG 58 1HG ARG 58 23.150 -18.255 -1.910 1272 1HD ARG 58 2HD ARG 58 21.475 -19.698 -1.264 1273 2HD ARG 58 1HD ARG 58 20.352 -18.378 -0.886 1274 HE ARG 58 HE ARG 58 21.013 -18.712 -3.741 1275 1HH1 ARG 58 1HH1 ARG 58 18.546 -17.514 -2.180 1276 2HH1 ARG 58 2HH1 ARG 58 17.322 -18.622 -2.703 1277 1HH2 ARG 58 1HH2 ARG 58 19.579 -20.933 -3.964 1278 2HH2 ARG 58 2HH2 ARG 58 17.907 -20.558 -3.714 1279 H LYS 59 H LYS 59 25.388 -17.451 -1.161 1280 HA LYS 59 HA LYS 59 25.351 -17.212 -4.049 1281 1HB LYS 59 2HB LYS 59 26.632 -15.160 -2.513 1282 2HB LYS 59 1HB LYS 59 27.892 -16.087 -3.326 1283 1HG LYS 59 2HG LYS 59 26.429 -15.866 -5.442 1284 2HG LYS 59 1HG LYS 59 25.571 -14.604 -4.557 1285 1HD LYS 59 2HD LYS 59 28.570 -14.636 -5.000 1286 2HD LYS 59 1HD LYS 59 27.429 -13.712 -5.979 1287 1HE LYS 59 2HE LYS 59 26.633 -12.841 -3.576 1288 2HE LYS 59 1HE LYS 59 28.312 -13.243 -3.161 1289 1HZ LYS 59 1HZ LYS 59 28.980 -12.039 -5.216 1290 2HZ LYS 59 2HZ LYS 59 28.294 -11.035 -4.028 1291 3HZ LYS 59 3HZ LYS 59 27.380 -11.504 -5.382 1292 H GLY 60 H GLY 60 26.192 -19.182 -4.684 1293 1HA GLY 60 2HA GLY 60 28.628 -20.206 -3.390 1294 2HA GLY 60 1HA GLY 60 27.189 -21.195 -3.154 1295 H PHE 61 H PHE 61 26.813 -22.720 -4.671 1296 HA PHE 61 HA PHE 61 27.341 -22.341 -7.518 1297 1HB PHE 61 2HB PHE 61 29.254 -23.827 -7.655 1298 2HB PHE 61 1HB PHE 61 29.619 -22.676 -6.360 1299 HD1 PHE 61 HD1 PHE 61 28.288 -26.103 -7.050 1300 HD2 PHE 61 HD2 PHE 61 29.803 -23.377 -4.104 1301 HE1 PHE 61 HE1 PHE 61 28.311 -27.908 -5.385 1302 HE2 PHE 61 HE2 PHE 61 29.853 -25.198 -2.435 1303 HZ PHE 61 HZ PHE 61 29.109 -27.473 -3.074 1304 H ASN 62 H ASN 62 27.264 -24.691 -8.553 1305 HA ASN 62 HA ASN 62 25.464 -26.422 -6.962 1306 1HB ASN 62 2HB ASN 62 23.738 -25.770 -8.207 1307 2HB ASN 62 1HB ASN 62 24.796 -24.754 -9.180 1308 1HD2 ASN 62 1HD2 ASN 62 24.017 -28.275 -8.853 1309 2HD2 ASN 62 2HD2 ASN 62 24.031 -28.580 -10.523 1310 HA PRO 63 HA PRO 63 27.479 -29.101 -10.398 1311 1HB PRO 63 2HB PRO 63 29.673 -28.069 -11.678 1312 2HB PRO 63 1HB PRO 63 28.018 -27.925 -12.304 1313 1HG PRO 63 2HG PRO 63 29.664 -25.932 -10.831 1314 2HG PRO 63 1HG PRO 63 28.554 -25.697 -12.191 1315 1HD PRO 63 2HD PRO 63 27.908 -25.115 -9.624 1316 2HD PRO 63 1HD PRO 63 26.704 -25.603 -10.832 1317 H GLN 64 H GLN 64 27.955 -29.284 -7.874 1318 HA GLN 64 HA GLN 64 30.629 -30.348 -7.598 1319 1HB GLN 64 2HB GLN 64 30.111 -27.579 -6.975 1320 2HB GLN 64 1HB GLN 64 30.542 -28.434 -5.497 1321 1HG GLN 64 2HG GLN 64 32.567 -29.314 -6.566 1322 2HG GLN 64 1HG GLN 64 32.131 -28.510 -8.074 1323 1HE2 GLN 64 1HE2 GLN 64 34.259 -28.132 -5.651 1324 2HE2 GLN 64 2HE2 GLN 64 34.307 -26.440 -5.528 1325 H THR 65 H THR 65 29.358 -29.099 -4.632 1326 HA THR 65 HA THR 65 28.495 -31.754 -3.785 1327 HB THR 65 HB THR 65 29.534 -29.583 -2.545 1328 HG1 THR 65 HG1 THR 65 27.805 -31.570 -1.520 1329 1HG2 THR 65 1HG2 THR 65 26.607 -29.454 -1.796 1330 2HG2 THR 65 2HG2 THR 65 27.340 -28.352 -2.961 1331 3HG2 THR 65 3HG2 THR 65 27.903 -28.371 -1.290 1332 H GLN 66 H GLN 66 27.085 -29.367 -5.652 1333 HA GLN 66 HA GLN 66 24.947 -29.205 -6.581 1334 1HB GLN 66 2HB GLN 66 25.079 -31.766 -5.504 1335 2HB GLN 66 1HB GLN 66 23.612 -31.099 -4.789 1336 1HG GLN 66 2HG GLN 66 23.078 -32.180 -6.921 1337 2HG GLN 66 1HG GLN 66 22.836 -30.439 -7.057 1338 1HE2 GLN 66 1HE2 GLN 66 25.873 -32.380 -7.209 1339 2HE2 GLN 66 2HE2 GLN 66 26.328 -31.817 -8.744 1340 H GLU 67 H GLU 67 24.378 -27.203 -5.947 1341 HA GLU 67 HA GLU 67 22.212 -26.549 -4.392 1342 1HB GLU 67 2HB GLU 67 23.342 -25.708 -2.254 1343 2HB GLU 67 1HB GLU 67 23.245 -27.459 -2.405 1344 1HG GLU 67 2HG GLU 67 25.510 -27.693 -2.716 1345 2HG GLU 67 1HG GLU 67 25.664 -26.140 -3.538 1346 H ALA 68 H ALA 68 22.730 -25.309 -6.517 1347 HA ALA 68 HA ALA 68 24.691 -23.200 -6.569 1348 1HB ALA 68 1HB ALA 68 22.402 -22.591 -8.146 1349 2HB ALA 68 2HB ALA 68 22.653 -24.334 -8.188 1350 3HB ALA 68 3HB ALA 68 23.952 -23.242 -8.668 1351 H LEU 69 H LEU 69 24.642 -21.177 -5.809 1352 HA LEU 69 HA LEU 69 22.093 -20.031 -4.762 1353 1HB LEU 69 2HB LEU 69 24.541 -19.661 -3.116 1354 2HB LEU 69 1HB LEU 69 22.893 -20.006 -2.603 1355 HG LEU 69 HG LEU 69 24.505 -22.137 -3.987 1356 1HD1 LEU 69 1HD1 LEU 69 25.663 -22.750 -2.114 1357 2HD1 LEU 69 2HD1 LEU 69 24.485 -22.033 -1.016 1358 3HD1 LEU 69 3HD1 LEU 69 25.632 -21.004 -1.873 1359 1HD2 LEU 69 1HD2 LEU 69 22.541 -23.206 -3.629 1360 2HD2 LEU 69 2HD2 LEU 69 21.945 -21.893 -2.619 1361 3HD2 LEU 69 3HD2 LEU 69 22.931 -23.173 -1.913 1362 H GLU 70 H GLU 70 22.039 -17.740 -5.027 1363 HA GLU 70 HA GLU 70 24.441 -16.171 -5.472 1364 1HB GLU 70 2HB GLU 70 24.065 -15.797 -7.899 1365 2HB GLU 70 1HB GLU 70 24.402 -17.491 -7.540 1366 1HG GLU 70 2HG GLU 70 21.911 -17.889 -7.472 1367 2HG GLU 70 1HG GLU 70 21.692 -16.239 -8.060 1368 H ILE 71 H ILE 71 21.521 -16.159 -4.261 1369 HA ILE 71 HA ILE 71 20.125 -13.975 -5.502 1370 HB ILE 71 HB ILE 71 18.939 -13.956 -3.322 1371 1HG1 ILE 71 2HG1 ILE 71 20.280 -16.220 -2.134 1372 2HG1 ILE 71 1HG1 ILE 71 21.427 -14.901 -2.369 1373 1HG2 ILE 71 1HG2 ILE 71 18.713 -15.790 -5.176 1374 2HG2 ILE 71 2HG2 ILE 71 17.941 -16.048 -3.611 1375 3HG2 ILE 71 3HG2 ILE 71 19.476 -16.835 -3.978 1376 1HD1 ILE 71 1HD1 ILE 71 20.091 -13.382 -1.111 1377 2HD1 ILE 71 2HD1 ILE 71 20.125 -14.876 -0.172 1378 3HD1 ILE 71 3HD1 ILE 71 18.704 -14.470 -1.134 1379 H ALA 72 H ALA 72 19.836 -12.205 -3.196 1380 HA ALA 72 HA ALA 72 22.559 -11.194 -2.665 1381 1HB ALA 72 1HB ALA 72 22.470 -9.999 -4.590 1382 2HB ALA 72 2HB ALA 72 21.357 -8.950 -3.711 1383 3HB ALA 72 3HB ALA 72 20.729 -10.227 -4.752 1384 HA PRO 73 HA PRO 73 20.911 -9.256 0.873 1385 1HB PRO 73 2HB PRO 73 22.179 -6.824 0.835 1386 2HB PRO 73 1HB PRO 73 23.002 -8.346 1.234 1387 1HG PRO 73 2HG PRO 73 22.949 -6.840 -1.337 1388 2HG PRO 73 1HG PRO 73 24.306 -7.647 -0.531 1389 1HD PRO 73 2HD PRO 73 22.998 -8.763 -2.610 1390 2HD PRO 73 1HD PRO 73 23.691 -9.735 -1.294 1391 H SER 74 H SER 74 18.812 -8.585 0.988 1392 HA SER 74 HA SER 74 18.040 -5.922 0.054 1393 1HB SER 74 2HB SER 74 17.443 -8.422 -1.463 1394 2HB SER 74 1HB SER 74 16.134 -7.253 -1.321 1395 HG SER 74 HG SER 74 18.330 -7.178 -2.868 1396 H VAL 75 H VAL 75 16.557 -5.245 1.607 1397 HA VAL 75 HA VAL 75 15.632 -6.900 3.694 1398 HB VAL 75 HB VAL 75 15.653 -4.262 3.219 1399 1HG1 VAL 75 1HG1 VAL 75 13.651 -4.739 1.567 1400 2HG1 VAL 75 2HG1 VAL 75 13.582 -3.334 2.632 1401 3HG1 VAL 75 3HG1 VAL 75 12.692 -4.800 3.046 1402 1HG2 VAL 75 1HG2 VAL 75 14.680 -4.037 5.308 1403 2HG2 VAL 75 2HG2 VAL 75 15.079 -5.755 5.329 1404 3HG2 VAL 75 3HG2 VAL 75 13.431 -5.237 4.977 1405 H GLY 76 H GLY 76 13.095 -7.229 4.068 1406 1HA GLY 76 2HA GLY 76 12.124 -8.600 1.602 1407 2HA GLY 76 1HA GLY 76 11.697 -9.077 3.246 1408 H VAL 77 H VAL 77 11.634 -6.043 1.380 1409 HA VAL 77 HA VAL 77 9.570 -4.707 2.647 1410 HB VAL 77 HB VAL 77 10.198 -4.979 -0.314 1411 1HG1 VAL 77 1HG1 VAL 77 9.181 -2.433 0.106 1412 2HG1 VAL 77 2HG1 VAL 77 8.130 -3.449 1.095 1413 3HG1 VAL 77 3HG1 VAL 77 8.307 -3.777 -0.629 1414 1HG2 VAL 77 1HG2 VAL 77 11.095 -2.525 0.533 1415 2HG2 VAL 77 2HG2 VAL 77 12.102 -3.967 0.413 1416 3HG2 VAL 77 3HG2 VAL 77 11.384 -3.520 1.960 1417 H SER 78 H SER 78 8.100 -6.309 3.432 1418 HA SER 78 HA SER 78 6.624 -8.159 1.840 1419 1HB SER 78 2HB SER 78 5.565 -6.595 4.209 1420 2HB SER 78 1HB SER 78 5.161 -8.243 3.747 1421 HG SER 78 HG SER 78 6.943 -8.931 4.651 1422 H VAL 79 H VAL 79 3.950 -6.543 2.866 1423 HA VAL 79 HA VAL 79 3.975 -4.624 0.597 1424 HB VAL 79 HB VAL 79 2.115 -5.584 -0.495 1425 1HG1 VAL 79 1HG1 VAL 79 3.470 -8.068 0.573 1426 2HG1 VAL 79 2HG1 VAL 79 4.297 -6.971 -0.531 1427 3HG1 VAL 79 3HG1 VAL 79 2.818 -7.785 -1.041 1428 1HG2 VAL 79 1HG2 VAL 79 1.691 -7.020 2.131 1429 2HG2 VAL 79 2HG2 VAL 79 0.898 -7.564 0.651 1430 3HG2 VAL 79 3HG2 VAL 79 0.589 -5.943 1.275 1431 H LYS 80 H LYS 80 1.738 -3.648 0.388 1432 HA LYS 80 HA LYS 80 0.992 -2.580 2.999 1433 1HB LYS 80 2HB LYS 80 0.915 -1.624 0.187 1434 2HB LYS 80 1HB LYS 80 -0.075 -0.843 1.419 1435 1HG LYS 80 2HG LYS 80 2.642 -1.317 2.342 1436 2HG LYS 80 1HG LYS 80 2.601 -0.294 0.909 1437 1HD LYS 80 2HD LYS 80 0.507 0.608 2.564 1438 2HD LYS 80 1HD LYS 80 1.877 0.366 3.629 1439 1HE LYS 80 2HE LYS 80 3.293 1.777 2.201 1440 2HE LYS 80 1HE LYS 80 1.959 1.970 1.047 1441 1HZ LYS 80 1HZ LYS 80 1.565 2.585 3.904 1442 2HZ LYS 80 2HZ LYS 80 0.701 3.152 2.558 1443 3HZ LYS 80 3HZ LYS 80 2.261 3.739 2.876 1444 HA PRO 81 HA PRO 81 -3.268 -3.270 0.851 1445 1HB PRO 81 2HB PRO 81 -3.244 -5.321 -1.007 1446 2HB PRO 81 1HB PRO 81 -3.129 -3.594 -1.410 1447 1HG PRO 81 2HG PRO 81 -0.933 -5.597 -1.062 1448 2HG PRO 81 1HG PRO 81 -1.158 -4.385 -2.337 1449 1HD PRO 81 2HD PRO 81 0.537 -3.910 -0.350 1450 2HD PRO 81 1HD PRO 81 -0.519 -2.602 -0.923 1451 H GLY 82 H GLY 82 -4.180 -4.168 2.560 1452 1HA GLY 82 2HA GLY 82 -3.633 -7.030 3.160 1453 2HA GLY 82 1HA GLY 82 -3.681 -5.816 4.447 1454 H GLU 83 H GLU 83 -5.695 -4.283 4.038 1455 HA GLU 83 HA GLU 83 -8.071 -6.028 4.239 1456 1HB GLU 83 2HB GLU 83 -7.432 -3.894 5.611 1457 2HB GLU 83 1HB GLU 83 -8.006 -3.013 4.190 1458 1HG GLU 83 2HG GLU 83 -10.182 -3.901 4.367 1459 2HG GLU 83 1HG GLU 83 -9.659 -5.192 5.450 1460 H SER 84 H SER 84 -7.107 -6.415 1.864 1461 HA SER 84 HA SER 84 -7.204 -5.729 -0.477 1462 1HB SER 84 2HB SER 84 -9.428 -7.192 0.808 1463 2HB SER 84 1HB SER 84 -9.691 -6.699 -0.860 1464 HG SER 84 HG SER 84 -8.660 -8.784 -0.582 1465 H LEU 85 H LEU 85 -7.569 -3.276 0.812 1466 HA LEU 85 HA LEU 85 -9.236 -1.448 0.890 1467 1HB LEU 85 2HB LEU 85 -8.774 -2.170 -2.043 1468 2HB LEU 85 1HB LEU 85 -9.389 -0.617 -1.484 1469 HG LEU 85 HG LEU 85 -6.956 -1.278 -0.069 1470 1HD1 LEU 85 1HD1 LEU 85 -5.810 -2.317 -1.725 1471 2HD1 LEU 85 2HD1 LEU 85 -5.768 -0.740 -2.509 1472 3HD1 LEU 85 3HD1 LEU 85 -7.020 -1.903 -2.938 1473 1HD2 LEU 85 1HD2 LEU 85 -6.303 0.911 -1.365 1474 2HD2 LEU 85 2HD2 LEU 85 -7.569 0.983 -0.141 1475 3HD2 LEU 85 3HD2 LEU 85 -7.999 0.913 -1.849 1476 H LYS 86 H LYS 86 -10.013 -4.201 1.028 1477 HA LYS 86 HA LYS 86 -12.320 -5.072 -0.385 1478 1HB LYS 86 2HB LYS 86 -10.523 -5.847 1.600 1479 2HB LYS 86 1HB LYS 86 -11.973 -5.546 2.544 1480 1HG LYS 86 2HG LYS 86 -13.217 -7.181 1.278 1481 2HG LYS 86 1HG LYS 86 -11.895 -7.354 0.116 1482 1HD LYS 86 2HD LYS 86 -10.509 -8.464 1.651 1483 2HD LYS 86 1HD LYS 86 -11.371 -7.815 3.044 1484 1HE LYS 86 2HE LYS 86 -13.400 -9.205 1.950 1485 2HE LYS 86 1HE LYS 86 -12.045 -10.176 1.338 1486 1HZ LYS 86 1HZ LYS 86 -12.310 -9.302 4.164 1487 2HZ LYS 86 2HZ LYS 86 -11.165 -10.383 3.528 1488 3HZ LYS 86 3HZ LYS 86 -12.804 -10.824 3.604 1489 H LYS 87 H LYS 87 -11.566 -3.200 2.392 1490 HA LYS 87 HA LYS 87 -14.164 -2.435 3.279 1491 1HB LYS 87 2HB LYS 87 -11.821 -2.390 4.368 1492 2HB LYS 87 1HB LYS 87 -11.512 -0.959 3.386 1493 1HG LYS 87 2HG LYS 87 -13.950 -0.336 4.506 1494 2HG LYS 87 1HG LYS 87 -13.181 -1.245 5.808 1495 1HD LYS 87 2HD LYS 87 -11.111 0.237 5.362 1496 2HD LYS 87 1HD LYS 87 -12.217 1.277 4.461 1497 1HE LYS 87 2HE LYS 87 -12.366 2.218 6.602 1498 2HE LYS 87 1HE LYS 87 -13.695 1.043 6.668 1499 1HZ LYS 87 1HZ LYS 87 -12.171 -0.591 7.577 1500 2HZ LYS 87 2HZ LYS 87 -12.198 0.790 8.566 1501 3HZ LYS 87 3HZ LYS 87 -10.892 0.520 7.512 1502 H ALA 88 H ALA 88 -11.752 -1.255 0.972 1503 HA ALA 88 HA ALA 88 -13.319 1.110 0.222 1504 1HB ALA 88 1HB ALA 88 -10.785 -0.270 -0.482 1505 2HB ALA 88 2HB ALA 88 -11.075 1.432 -0.166 1506 3HB ALA 88 3HB ALA 88 -11.489 0.745 -1.737 1507 H ALA 89 H ALA 89 -13.056 -2.231 -0.681 1508 HA ALA 89 HA ALA 89 -14.351 -1.926 -3.262 1509 1HB ALA 89 1HB ALA 89 -14.368 -4.432 -3.103 1510 2HB ALA 89 2HB ALA 89 -13.829 -4.292 -1.432 1511 3HB ALA 89 3HB ALA 89 -12.785 -3.744 -2.743 1512 H GLU 90 H GLU 90 -15.391 -2.726 0.023 1513 HA GLU 90 HA GLU 90 -18.141 -3.275 -0.712 1514 1HB GLU 90 2HB GLU 90 -18.401 -3.505 1.588 1515 2HB GLU 90 1HB GLU 90 -16.645 -3.627 1.506 1516 1HG GLU 90 2HG GLU 90 -16.720 -1.015 1.748 1517 2HG GLU 90 1HG GLU 90 -18.339 -1.302 2.381 1518 H GLY 91 H GLY 91 -16.149 -0.456 -0.294 1519 1HA GLY 91 2HA GLY 91 -18.263 1.477 0.072 1520 2HA GLY 91 1HA GLY 91 -16.604 1.838 -0.385 1521 H LEU 92 H LEU 92 -16.552 0.260 -2.916 1522 HA LEU 92 HA LEU 92 -17.935 2.236 -4.588 1523 1HB LEU 92 2HB LEU 92 -16.914 1.022 -6.422 1524 2HB LEU 92 1HB LEU 92 -15.739 1.103 -5.128 1525 HG LEU 92 HG LEU 92 -17.071 -1.217 -4.513 1526 1HD1 LEU 92 1HD1 LEU 92 -17.294 -0.664 -7.424 1527 2HD1 LEU 92 2HD1 LEU 92 -18.310 -1.665 -6.388 1528 3HD1 LEU 92 3HD1 LEU 92 -16.769 -2.287 -6.977 1529 1HD2 LEU 92 1HD2 LEU 92 -15.041 -2.287 -5.086 1530 2HD2 LEU 92 2HD2 LEU 92 -14.556 -0.621 -4.761 1531 3HD2 LEU 92 3HD2 LEU 92 -14.736 -1.180 -6.424 1532 H LYS 93 H LYS 93 -19.516 0.245 -2.825 1533 HA LYS 93 HA LYS 93 -21.503 -1.028 -3.059 1534 1HB LYS 93 2HB LYS 93 -21.413 0.816 -5.455 1535 2HB LYS 93 1HB LYS 93 -22.710 -0.370 -5.311 1536 1HG LYS 93 2HG LYS 93 -23.680 1.409 -4.194 1537 2HG LYS 93 1HG LYS 93 -22.866 0.616 -2.845 1538 1HD LYS 93 2HD LYS 93 -21.992 2.703 -2.509 1539 2HD LYS 93 1HD LYS 93 -20.849 2.186 -3.748 1540 1HE LYS 93 2HE LYS 93 -21.557 4.177 -4.712 1541 2HE LYS 93 1HE LYS 93 -22.816 3.105 -5.354 1542 1HZ LYS 93 1HZ LYS 93 -23.759 5.053 -4.217 1543 2HZ LYS 93 2HZ LYS 93 -22.987 4.581 -2.779 1544 3HZ LYS 93 3HZ LYS 93 -24.197 3.600 -3.458 1545 H TYR 94 H TYR 94 -19.192 -2.313 -3.546 1546 HA TYR 94 HA TYR 94 -18.260 -3.495 -5.725 1547 1HB TYR 94 2HB TYR 94 -17.696 -4.308 -3.558 1548 2HB TYR 94 1HB TYR 94 -19.352 -4.859 -3.262 1549 HD1 TYR 94 HD1 TYR 94 -16.807 -5.168 -5.983 1550 HD2 TYR 94 HD2 TYR 94 -19.674 -7.130 -3.468 1551 HE1 TYR 94 HE1 TYR 94 -16.356 -7.323 -7.146 1552 HE2 TYR 94 HE2 TYR 94 -19.212 -9.275 -4.629 1553 HH TYR 94 HH TYR 94 -16.539 -9.743 -6.595 1554 H GLU 95 H GLU 95 -21.482 -4.429 -4.457 1555 HA GLU 95 HA GLU 95 -22.130 -6.384 -6.405 1556 1HB GLU 95 2HB GLU 95 -23.905 -4.382 -4.979 1557 2HB GLU 95 1HB GLU 95 -24.456 -5.878 -5.733 1558 1HG GLU 95 2HG GLU 95 -22.224 -6.257 -3.852 1559 2HG GLU 95 1HG GLU 95 -23.692 -5.639 -3.096 1560 H ASP 96 H ASP 96 -22.817 -2.883 -6.411 1561 HA ASP 96 HA ASP 96 -24.132 -2.681 -8.908 1562 1HB ASP 96 2HB ASP 96 -22.397 -0.924 -7.202 1563 2HB ASP 96 1HB ASP 96 -22.832 -0.357 -8.814 1564 H PHE 97 H PHE 97 -20.711 -2.964 -8.108 1565 HA PHE 97 HA PHE 97 -19.843 -2.624 -10.913 1566 1HB PHE 97 2HB PHE 97 -18.768 -2.151 -8.436 1567 2HB PHE 97 1HB PHE 97 -18.018 -3.694 -8.837 1568 HD1 PHE 97 HD1 PHE 97 -15.838 -3.301 -9.554 1569 HD2 PHE 97 HD2 PHE 97 -18.997 -0.748 -10.953 1570 HE1 PHE 97 HE1 PHE 97 -14.234 -2.137 -11.045 1571 HE2 PHE 97 HE2 PHE 97 -17.392 0.416 -12.446 1572 HZ PHE 97 HZ PHE 97 -15.013 -0.279 -12.492 1573 H ALA 98 H ALA 98 -20.721 -5.146 -8.694 1574 HA ALA 98 HA ALA 98 -19.344 -7.377 -9.854 1575 1HB ALA 98 1HB ALA 98 -22.058 -7.434 -8.524 1576 2HB ALA 98 2HB ALA 98 -20.604 -7.048 -7.604 1577 3HB ALA 98 3HB ALA 98 -20.754 -8.616 -8.397 1578 H LYS 99 H LYS 99 -22.375 -5.745 -10.623 1579 HA LYS 99 HA LYS 99 -23.344 -7.797 -12.453 1580 1HB LYS 99 2HB LYS 99 -24.066 -4.865 -12.119 1581 2HB LYS 99 1HB LYS 99 -25.048 -6.083 -12.932 1582 1HG LYS 99 2HG LYS 99 -24.197 -6.330 -10.038 1583 2HG LYS 99 1HG LYS 99 -25.713 -5.577 -10.528 1584 1HD LYS 99 2HD LYS 99 -26.659 -7.566 -11.168 1585 2HD LYS 99 1HD LYS 99 -25.120 -8.249 -11.694 1586 1HE LYS 99 2HE LYS 99 -24.729 -9.197 -9.660 1587 2HE LYS 99 1HE LYS 99 -25.243 -7.736 -8.792 1588 1HZ LYS 99 1HZ LYS 99 -27.039 -9.708 -10.107 1589 2HZ LYS 99 2HZ LYS 99 -27.546 -8.278 -9.341 1590 3HZ LYS 99 3HZ LYS 99 -26.828 -9.523 -8.435 Start of MODEL 10 1 1H MET 1 1H MET 1 6.287 4.303 10.216 2 2H MET 1 2H MET 1 4.932 3.420 9.696 3 3H MET 1 3H MET 1 5.168 3.722 11.350 4 HA MET 1 HA MET 1 4.669 5.998 11.133 5 1HB MET 1 2HB MET 1 5.437 5.312 8.343 6 2HB MET 1 1HB MET 1 4.238 6.593 8.528 7 1HG MET 1 2HG MET 1 5.715 8.020 9.567 8 2HG MET 1 1HG MET 1 6.622 6.705 10.312 9 1HE MET 1 1HE MET 1 5.549 8.381 7.142 10 2HE MET 1 2HE MET 1 5.668 6.773 6.431 11 3HE MET 1 3HE MET 1 6.792 8.035 5.933 12 H ASN 2 H ASN 2 2.551 6.951 9.699 13 HA ASN 2 HA ASN 2 0.591 4.957 9.000 14 1HB ASN 2 2HB ASN 2 1.021 4.892 11.598 15 2HB ASN 2 1HB ASN 2 -0.004 6.328 11.604 16 1HD2 ASN 2 1HD2 ASN 2 -0.079 2.922 11.665 17 2HD2 ASN 2 2HD2 ASN 2 -1.717 2.710 11.271 18 H LYS 3 H LYS 3 -1.780 6.166 9.362 19 HA LYS 3 HA LYS 3 -1.940 8.289 7.526 20 1HB LYS 3 2HB LYS 3 -3.688 6.751 8.881 21 2HB LYS 3 1HB LYS 3 -3.837 8.223 9.836 22 1HG LYS 3 2HG LYS 3 -5.261 8.992 8.261 23 2HG LYS 3 1HG LYS 3 -3.882 9.109 7.172 24 1HD LYS 3 2HD LYS 3 -4.634 7.393 5.915 25 2HD LYS 3 1HD LYS 3 -4.809 6.370 7.332 26 1HE LYS 3 2HE LYS 3 -6.870 8.294 6.181 27 2HE LYS 3 1HE LYS 3 -7.022 6.543 6.402 28 1HZ LYS 3 1HZ LYS 3 -7.187 8.671 8.392 29 2HZ LYS 3 2HZ LYS 3 -6.398 7.247 8.876 30 3HZ LYS 3 3HZ LYS 3 -8.003 7.188 8.323 31 H THR 4 H THR 4 -0.763 8.362 10.770 32 HA THR 4 HA THR 4 -1.011 11.340 10.911 33 HB THR 4 HB THR 4 -0.542 9.135 12.937 34 HG1 THR 4 HG1 THR 4 -2.684 9.530 12.278 35 1HG2 THR 4 1HG2 THR 4 -0.794 11.226 14.536 36 2HG2 THR 4 2HG2 THR 4 -0.154 12.101 13.145 37 3HG2 THR 4 3HG2 THR 4 0.784 10.797 13.874 38 H GLU 5 H GLU 5 1.301 8.733 11.708 39 HA GLU 5 HA GLU 5 3.625 10.270 11.993 40 1HB GLU 5 2HB GLU 5 2.883 7.566 11.797 41 2HB GLU 5 1HB GLU 5 4.102 7.798 10.547 42 1HG GLU 5 2HG GLU 5 5.772 8.182 12.057 43 2HG GLU 5 1HG GLU 5 4.710 9.064 13.155 44 H LEU 6 H LEU 6 2.274 8.826 9.019 45 HA LEU 6 HA LEU 6 4.220 9.842 7.198 46 1HB LEU 6 2HB LEU 6 1.305 9.085 7.039 47 2HB LEU 6 1HB LEU 6 2.147 9.691 5.615 48 HG LEU 6 HG LEU 6 3.697 7.653 7.025 49 1HD1 LEU 6 1HD1 LEU 6 1.950 5.935 5.834 50 2HD1 LEU 6 2HD1 LEU 6 0.835 7.163 6.434 51 3HD1 LEU 6 3HD1 LEU 6 1.913 6.328 7.551 52 1HD2 LEU 6 1HD2 LEU 6 3.358 6.685 4.563 53 2HD2 LEU 6 2HD2 LEU 6 4.428 8.055 4.864 54 3HD2 LEU 6 3HD2 LEU 6 2.797 8.328 4.251 55 H ILE 7 H ILE 7 1.426 11.467 8.722 56 HA ILE 7 HA ILE 7 1.361 13.733 6.964 57 HB ILE 7 HB ILE 7 -0.016 14.734 8.562 58 1HG1 ILE 7 2HG1 ILE 7 0.151 13.783 11.056 59 2HG1 ILE 7 1HG1 ILE 7 1.816 13.522 10.562 60 1HG2 ILE 7 1HG2 ILE 7 -0.136 11.801 9.242 61 2HG2 ILE 7 2HG2 ILE 7 -0.979 12.595 7.922 62 3HG2 ILE 7 3HG2 ILE 7 -1.396 12.976 9.589 63 1HD1 ILE 7 1HD1 ILE 7 0.314 16.088 10.847 64 2HD1 ILE 7 2HD1 ILE 7 1.585 15.992 9.629 65 3HD1 ILE 7 3HD1 ILE 7 1.966 15.700 11.326 66 H LYS 8 H LYS 8 3.248 12.978 9.851 67 HA LYS 8 HA LYS 8 4.696 15.468 9.945 68 1HB LYS 8 2HB LYS 8 5.561 12.676 10.772 69 2HB LYS 8 1HB LYS 8 6.215 14.192 11.389 70 1HG LYS 8 2HG LYS 8 3.953 14.756 12.287 71 2HG LYS 8 1HG LYS 8 3.384 13.171 11.764 72 1HD LYS 8 2HD LYS 8 5.472 13.796 13.860 73 2HD LYS 8 1HD LYS 8 3.969 12.895 14.058 74 1HE LYS 8 2HE LYS 8 4.952 11.215 12.355 75 2HE LYS 8 1HE LYS 8 6.504 12.011 12.659 76 1HZ LYS 8 1HZ LYS 8 6.216 11.657 15.018 77 2HZ LYS 8 2HZ LYS 8 6.108 10.166 14.209 78 3HZ LYS 8 3HZ LYS 8 4.700 10.938 14.766 79 H ALA 9 H ALA 9 5.139 12.388 8.252 80 HA ALA 9 HA ALA 9 7.753 12.753 7.213 81 1HB ALA 9 1HB ALA 9 6.030 10.801 7.103 82 2HB ALA 9 2HB ALA 9 7.097 11.037 5.718 83 3HB ALA 9 3HB ALA 9 5.432 11.612 5.657 84 H ILE 10 H ILE 10 4.606 13.992 6.089 85 HA ILE 10 HA ILE 10 5.886 15.405 3.831 86 HB ILE 10 HB ILE 10 3.165 14.642 4.813 87 1HG1 ILE 10 2HG1 ILE 10 2.807 14.191 2.420 88 2HG1 ILE 10 1HG1 ILE 10 4.365 14.927 2.043 89 1HG2 ILE 10 1HG2 ILE 10 2.023 16.320 3.417 90 2HG2 ILE 10 2HG2 ILE 10 3.571 17.077 3.052 91 3HG2 ILE 10 3HG2 ILE 10 2.948 17.098 4.701 92 1HD1 ILE 10 1HD1 ILE 10 3.876 12.426 3.684 93 2HD1 ILE 10 2HD1 ILE 10 5.446 13.219 3.553 94 3HD1 ILE 10 3HD1 ILE 10 4.683 12.534 2.119 95 H ALA 11 H ALA 11 4.512 15.896 7.027 96 HA ALA 11 HA ALA 11 4.450 18.777 6.931 97 1HB ALA 11 1HB ALA 11 3.382 17.039 8.553 98 2HB ALA 11 2HB ALA 11 4.023 18.512 9.276 99 3HB ALA 11 3HB ALA 11 4.953 17.018 9.349 100 H GLN 12 H GLN 12 6.983 16.498 6.910 101 HA GLN 12 HA GLN 12 8.939 18.536 7.862 102 1HB GLN 12 2HB GLN 12 9.025 16.648 9.315 103 2HB GLN 12 1HB GLN 12 8.806 15.515 7.984 104 1HG GLN 12 2HG GLN 12 11.136 15.483 8.773 105 2HG GLN 12 1HG GLN 12 11.050 16.097 7.122 106 1HE2 GLN 12 1HE2 GLN 12 12.419 16.747 10.124 107 2HE2 GLN 12 2HE2 GLN 12 12.704 18.409 9.930 108 H ASP 13 H ASP 13 8.347 15.946 5.445 109 HA ASP 13 HA ASP 13 10.662 16.568 3.801 110 1HB ASP 13 2HB ASP 13 7.943 15.300 3.330 111 2HB ASP 13 1HB ASP 13 9.138 15.450 2.044 112 H THR 14 H THR 14 7.342 17.575 4.039 113 HA THR 14 HA THR 14 7.648 19.689 1.979 114 HB THR 14 HB THR 14 5.090 19.357 3.391 115 HG1 THR 14 HG1 THR 14 6.198 17.140 2.007 116 1HG2 THR 14 1HG2 THR 14 5.088 20.414 1.290 117 2HG2 THR 14 2HG2 THR 14 4.420 18.810 0.990 118 3HG2 THR 14 3HG2 THR 14 6.096 19.164 0.570 119 H GLY 15 H GLY 15 5.939 19.482 5.115 120 1HA GLY 15 2HA GLY 15 5.731 21.092 6.830 121 2HA GLY 15 1HA GLY 15 7.490 21.099 6.741 122 H LEU 16 H LEU 16 5.564 22.116 4.055 123 HA LEU 16 HA LEU 16 6.773 24.791 4.182 124 1HB LEU 16 2HB LEU 16 4.884 24.802 2.107 125 2HB LEU 16 1HB LEU 16 6.622 24.571 1.948 126 HG LEU 16 HG LEU 16 6.237 22.148 2.435 127 1HD1 LEU 16 1HD1 LEU 16 4.120 21.306 2.732 128 2HD1 LEU 16 2HD1 LEU 16 3.408 22.436 1.578 129 3HD1 LEU 16 3HD1 LEU 16 3.757 22.957 3.218 130 1HD2 LEU 16 1HD2 LEU 16 6.078 21.731 0.179 131 2HD2 LEU 16 2HD2 LEU 16 6.178 23.487 0.061 132 3HD2 LEU 16 3HD2 LEU 16 4.607 22.687 0.008 133 H THR 17 H THR 17 3.840 23.266 5.045 134 HA THR 17 HA THR 17 2.756 25.725 6.204 135 HB THR 17 HB THR 17 2.273 25.123 3.537 136 HG1 THR 17 HG1 THR 17 0.897 26.825 3.697 137 1HG2 THR 17 1HG2 THR 17 -0.251 24.649 3.632 138 2HG2 THR 17 2HG2 THR 17 0.039 24.048 5.253 139 3HG2 THR 17 3HG2 THR 17 0.839 23.292 3.877 140 H GLN 18 H GLN 18 2.986 22.314 6.003 141 HA GLN 18 HA GLN 18 1.970 20.592 7.275 142 1HB GLN 18 2HB GLN 18 0.750 22.787 8.963 143 2HB GLN 18 1HB GLN 18 1.360 21.215 9.480 144 1HG GLN 18 2HG GLN 18 3.658 22.128 8.599 145 2HG GLN 18 1HG GLN 18 2.893 23.704 8.791 146 1HE2 GLN 18 1HE2 GLN 18 3.809 20.750 10.590 147 2HE2 GLN 18 2HE2 GLN 18 3.797 21.483 12.121 148 H VAL 19 H VAL 19 0.764 21.896 5.006 149 HA VAL 19 HA VAL 19 -1.702 22.783 4.713 150 HB VAL 19 HB VAL 19 -0.475 21.855 2.870 151 1HG1 VAL 19 1HG1 VAL 19 -0.856 19.070 2.948 152 2HG1 VAL 19 2HG1 VAL 19 -0.315 19.510 4.568 153 3HG1 VAL 19 3HG1 VAL 19 0.663 19.934 3.167 154 1HG2 VAL 19 1HG2 VAL 19 -3.152 20.536 3.290 155 2HG2 VAL 19 2HG2 VAL 19 -2.209 20.190 1.852 156 3HG2 VAL 19 3HG2 VAL 19 -2.727 21.840 2.187 157 H SER 20 H SER 20 -2.177 19.395 4.477 158 HA SER 20 HA SER 20 -3.967 19.376 6.817 159 1HB SER 20 2HB SER 20 -4.502 19.091 3.948 160 2HB SER 20 1HB SER 20 -5.046 17.690 4.857 161 HG SER 20 HG SER 20 -6.654 19.283 4.803 162 H VAL 21 H VAL 21 -1.125 18.474 6.056 163 HA VAL 21 HA VAL 21 -0.490 15.967 5.485 164 HB VAL 21 HB VAL 21 0.988 15.971 7.496 165 1HG1 VAL 21 1HG1 VAL 21 1.143 17.576 5.376 166 2HG1 VAL 21 2HG1 VAL 21 2.278 17.717 6.718 167 3HG1 VAL 21 3HG1 VAL 21 0.903 18.817 6.605 168 1HG2 VAL 21 1HG2 VAL 21 -0.535 16.801 9.181 169 2HG2 VAL 21 2HG2 VAL 21 -0.785 18.298 8.284 170 3HG2 VAL 21 3HG2 VAL 21 0.778 17.966 9.029 171 H SER 22 H SER 22 -2.373 16.903 8.246 172 HA SER 22 HA SER 22 -2.879 14.113 9.124 173 1HB SER 22 2HB SER 22 -2.625 16.102 10.652 174 2HB SER 22 1HB SER 22 -4.124 16.745 9.988 175 HG SER 22 HG SER 22 -3.786 14.238 11.288 176 H LYS 23 H LYS 23 -4.517 16.716 7.401 177 HA LYS 23 HA LYS 23 -7.020 15.218 7.169 178 1HB LYS 23 2HB LYS 23 -5.985 17.916 6.769 179 2HB LYS 23 1HB LYS 23 -7.161 17.438 5.544 180 1HG LYS 23 2HG LYS 23 -8.862 17.128 7.121 181 2HG LYS 23 1HG LYS 23 -7.723 16.921 8.452 182 1HD LYS 23 2HD LYS 23 -8.244 19.517 6.970 183 2HD LYS 23 1HD LYS 23 -8.837 19.121 8.582 184 1HE LYS 23 2HE LYS 23 -6.218 18.641 8.994 185 2HE LYS 23 1HE LYS 23 -6.081 19.868 7.718 186 1HZ LYS 23 1HZ LYS 23 -7.684 20.096 10.213 187 2HZ LYS 23 2HZ LYS 23 -7.670 21.242 8.959 188 3HZ LYS 23 3HZ LYS 23 -6.260 20.947 9.859 189 H MET 24 H MET 24 -4.211 15.949 5.078 190 HA MET 24 HA MET 24 -5.599 14.921 2.715 191 1HB MET 24 2HB MET 24 -2.871 14.801 2.163 192 2HB MET 24 1HB MET 24 -3.946 16.128 1.770 193 1HG MET 24 2HG MET 24 -3.128 17.456 3.465 194 2HG MET 24 1HG MET 24 -2.828 16.077 4.513 195 1HE MET 24 1HE MET 24 0.212 14.559 3.861 196 2HE MET 24 2HE MET 24 -1.097 14.038 2.802 197 3HE MET 24 3HE MET 24 -1.457 14.557 4.446 198 H LEU 25 H LEU 25 -3.340 13.610 5.167 199 HA LEU 25 HA LEU 25 -3.115 11.065 3.749 200 1HB LEU 25 2HB LEU 25 -2.298 12.226 6.380 201 2HB LEU 25 1HB LEU 25 -2.315 10.469 6.223 202 HG LEU 25 HG LEU 25 -0.898 12.356 4.325 203 1HD1 LEU 25 1HD1 LEU 25 0.213 12.352 6.479 204 2HD1 LEU 25 2HD1 LEU 25 1.166 11.387 5.358 205 3HD1 LEU 25 3HD1 LEU 25 0.146 10.595 6.559 206 1HD2 LEU 25 1HD2 LEU 25 0.220 9.983 3.851 207 2HD2 LEU 25 2HD2 LEU 25 -1.274 10.458 3.044 208 3HD2 LEU 25 3HD2 LEU 25 -1.330 9.394 4.449 209 H ALA 26 H ALA 26 -5.032 12.336 6.465 210 HA ALA 26 HA ALA 26 -6.430 9.900 7.075 211 1HB ALA 26 1HB ALA 26 -6.425 11.853 8.551 212 2HB ALA 26 2HB ALA 26 -8.087 11.537 8.052 213 3HB ALA 26 3HB ALA 26 -7.170 12.840 7.294 214 H SER 27 H SER 27 -6.854 12.485 4.728 215 HA SER 27 HA SER 27 -9.365 11.387 3.669 216 1HB SER 27 2HB SER 27 -9.259 13.306 2.225 217 2HB SER 27 1HB SER 27 -8.704 13.839 3.808 218 HG SER 27 HG SER 27 -7.269 13.377 1.446 219 H PHE 28 H PHE 28 -5.918 11.312 3.013 220 HA PHE 28 HA PHE 28 -5.815 10.401 0.342 221 1HB PHE 28 2HB PHE 28 -3.766 10.842 1.379 222 2HB PHE 28 1HB PHE 28 -4.239 10.039 2.866 223 HD1 PHE 28 HD1 PHE 28 -4.309 7.490 2.943 224 HD2 PHE 28 HD2 PHE 28 -2.611 9.676 -0.342 225 HE1 PHE 28 HE1 PHE 28 -3.029 5.508 2.270 226 HE2 PHE 28 HE2 PHE 28 -1.337 7.689 -1.013 227 HZ PHE 28 HZ PHE 28 -1.545 5.580 0.283 228 H GLU 29 H GLU 29 -6.493 8.615 3.351 229 HA GLU 29 HA GLU 29 -6.851 6.077 1.995 230 1HB GLU 29 2HB GLU 29 -6.342 6.716 4.500 231 2HB GLU 29 1HB GLU 29 -8.096 6.901 4.607 232 1HG GLU 29 2HG GLU 29 -7.440 4.493 3.180 233 2HG GLU 29 1HG GLU 29 -6.620 4.519 4.727 234 H LYS 30 H LYS 30 -8.785 8.764 3.199 235 HA LYS 30 HA LYS 30 -11.378 7.799 2.545 236 1HB LYS 30 2HB LYS 30 -10.616 9.912 3.824 237 2HB LYS 30 1HB LYS 30 -10.455 10.661 2.235 238 1HG LYS 30 2HG LYS 30 -12.725 10.650 1.840 239 2HG LYS 30 1HG LYS 30 -12.994 9.210 2.822 240 1HD LYS 30 2HD LYS 30 -12.167 10.884 4.760 241 2HD LYS 30 1HD LYS 30 -12.859 12.067 3.649 242 1HE LYS 30 2HE LYS 30 -14.902 10.418 3.567 243 2HE LYS 30 1HE LYS 30 -14.234 9.813 5.097 244 1HZ LYS 30 1HZ LYS 30 -15.676 11.626 5.609 245 2HZ LYS 30 2HZ LYS 30 -14.953 12.618 4.435 246 3HZ LYS 30 3HZ LYS 30 -14.086 12.171 5.825 247 H ILE 31 H ILE 31 -8.738 8.902 0.515 248 HA ILE 31 HA ILE 31 -10.599 8.895 -1.809 249 HB ILE 31 HB ILE 31 -8.499 9.893 -2.915 250 1HG1 ILE 31 2HG1 ILE 31 -7.740 11.324 -0.575 251 2HG1 ILE 31 1HG1 ILE 31 -7.503 9.599 -0.327 252 1HG2 ILE 31 1HG2 ILE 31 -10.548 11.122 -2.662 253 2HG2 ILE 31 2HG2 ILE 31 -9.228 12.166 -2.133 254 3HG2 ILE 31 3HG2 ILE 31 -10.242 11.351 -0.940 255 1HD1 ILE 31 1HD1 ILE 31 -6.708 10.616 -2.979 256 2HD1 ILE 31 2HD1 ILE 31 -5.917 9.426 -1.946 257 3HD1 ILE 31 3HD1 ILE 31 -5.714 11.148 -1.625 258 H ILE 32 H ILE 32 -7.780 7.402 -0.430 259 HA ILE 32 HA ILE 32 -7.123 5.701 -2.717 260 HB ILE 32 HB ILE 32 -6.596 5.445 0.267 261 1HG1 ILE 32 2HG1 ILE 32 -5.632 7.373 -1.440 262 2HG1 ILE 32 1HG1 ILE 32 -4.770 6.801 -0.014 263 1HG2 ILE 32 1HG2 ILE 32 -5.591 3.908 -2.130 264 2HG2 ILE 32 2HG2 ILE 32 -6.309 3.281 -0.647 265 3HG2 ILE 32 3HG2 ILE 32 -4.684 3.962 -0.620 266 1HD1 ILE 32 1HD1 ILE 32 -3.440 6.819 -2.189 267 2HD1 ILE 32 2HD1 ILE 32 -4.479 5.498 -2.725 268 3HD1 ILE 32 3HD1 ILE 32 -3.449 5.291 -1.308 269 H THR 33 H THR 33 -8.700 5.245 0.406 270 HA THR 33 HA THR 33 -9.766 2.685 -0.050 271 HB THR 33 HB THR 33 -10.983 4.902 1.586 272 HG1 THR 33 HG1 THR 33 -8.658 3.392 2.172 273 1HG2 THR 33 1HG2 THR 33 -11.469 3.177 3.114 274 2HG2 THR 33 2HG2 THR 33 -10.407 2.046 2.274 275 3HG2 THR 33 3HG2 THR 33 -11.913 2.571 1.518 276 H GLU 34 H GLU 34 -11.248 5.922 -0.232 277 HA GLU 34 HA GLU 34 -13.742 5.109 -1.346 278 1HB GLU 34 2HB GLU 34 -12.080 7.627 -1.333 279 2HB GLU 34 1HB GLU 34 -13.727 7.593 -1.962 280 1HG GLU 34 2HG GLU 34 -12.939 6.680 0.835 281 2HG GLU 34 1HG GLU 34 -13.645 8.256 0.470 282 H THR 35 H THR 35 -10.625 5.937 -2.923 283 HA THR 35 HA THR 35 -11.543 6.183 -5.606 284 HB THR 35 HB THR 35 -9.015 5.338 -4.237 285 HG1 THR 35 HG1 THR 35 -9.041 7.435 -4.642 286 1HG2 THR 35 1HG2 THR 35 -9.820 4.469 -6.951 287 2HG2 THR 35 2HG2 THR 35 -8.608 3.794 -5.869 288 3HG2 THR 35 3HG2 THR 35 -8.226 5.212 -6.843 289 H VAL 36 H VAL 36 -10.385 3.268 -3.901 290 HA VAL 36 HA VAL 36 -10.980 1.393 -5.935 291 HB VAL 36 HB VAL 36 -10.994 1.382 -2.919 292 1HG1 VAL 36 1HG1 VAL 36 -12.752 -0.214 -3.589 293 2HG1 VAL 36 2HG1 VAL 36 -11.343 -1.054 -2.950 294 3HG1 VAL 36 3HG1 VAL 36 -11.618 -0.998 -4.689 295 1HG2 VAL 36 1HG2 VAL 36 -8.815 1.329 -3.747 296 2HG2 VAL 36 2HG2 VAL 36 -9.269 0.379 -5.160 297 3HG2 VAL 36 3HG2 VAL 36 -9.165 -0.390 -3.575 298 H ALA 37 H ALA 37 -13.095 2.824 -3.438 299 HA ALA 37 HA ALA 37 -15.465 1.436 -4.434 300 1HB ALA 37 1HB ALA 37 -16.481 2.330 -2.586 301 2HB ALA 37 2HB ALA 37 -15.634 3.869 -2.737 302 3HB ALA 37 3HB ALA 37 -14.802 2.465 -2.068 303 H LYS 38 H LYS 38 -13.609 3.922 -5.656 304 HA LYS 38 HA LYS 38 -15.971 5.265 -6.921 305 1HB LYS 38 2HB LYS 38 -13.452 6.150 -5.794 306 2HB LYS 38 1HB LYS 38 -13.553 6.629 -7.488 307 1HG LYS 38 2HG LYS 38 -14.528 8.385 -6.107 308 2HG LYS 38 1HG LYS 38 -15.808 7.603 -7.035 309 1HD LYS 38 2HD LYS 38 -16.882 7.221 -5.093 310 2HD LYS 38 1HD LYS 38 -15.592 6.097 -4.667 311 1HE LYS 38 2HE LYS 38 -15.565 7.615 -2.859 312 2HE LYS 38 1HE LYS 38 -14.313 8.283 -3.926 313 1HZ LYS 38 1HZ LYS 38 -15.970 9.703 -4.947 314 2HZ LYS 38 2HZ LYS 38 -15.925 9.983 -3.273 315 3HZ LYS 38 3HZ LYS 38 -17.182 9.062 -3.950 316 H GLY 39 H GLY 39 -13.585 2.970 -7.374 317 1HA GLY 39 2HA GLY 39 -13.244 1.664 -9.283 318 2HA GLY 39 1HA GLY 39 -14.182 2.828 -10.214 319 H ASP 40 H ASP 40 -11.205 3.178 -8.241 320 HA ASP 40 HA ASP 40 -9.878 4.140 -10.760 321 1HB ASP 40 2HB ASP 40 -10.536 5.558 -8.314 322 2HB ASP 40 1HB ASP 40 -8.798 5.596 -8.615 323 H LYS 41 H LYS 41 -7.874 3.327 -11.082 324 HA LYS 41 HA LYS 41 -6.698 1.490 -9.071 325 1HB LYS 41 2HB LYS 41 -7.218 1.303 -11.763 326 2HB LYS 41 1HB LYS 41 -5.536 1.831 -11.780 327 1HG LYS 41 2HG LYS 41 -5.574 -0.113 -9.798 328 2HG LYS 41 1HG LYS 41 -6.662 -0.762 -11.023 329 1HD LYS 41 2HD LYS 41 -4.409 0.346 -12.381 330 2HD LYS 41 1HD LYS 41 -3.797 -0.660 -11.069 331 1HE LYS 41 2HE LYS 41 -5.536 -2.420 -11.904 332 2HE LYS 41 1HE LYS 41 -5.536 -1.463 -13.399 333 1HZ LYS 41 1HZ LYS 41 -3.214 -2.729 -12.055 334 2HZ LYS 41 2HZ LYS 41 -3.041 -1.540 -13.257 335 3HZ LYS 41 3HZ LYS 41 -3.791 -3.021 -13.623 336 H VAL 42 H VAL 42 -5.325 2.627 -7.732 337 HA VAL 42 HA VAL 42 -3.893 4.998 -8.791 338 HB VAL 42 HB VAL 42 -4.216 3.710 -6.087 339 1HG1 VAL 42 1HG1 VAL 42 -2.967 5.695 -5.200 340 2HG1 VAL 42 2HG1 VAL 42 -2.479 6.053 -6.857 341 3HG1 VAL 42 3HG1 VAL 42 -1.961 4.554 -6.090 342 1HG2 VAL 42 1HG2 VAL 42 -5.793 5.306 -5.726 343 2HG2 VAL 42 2HG2 VAL 42 -5.828 5.418 -7.486 344 3HG2 VAL 42 3HG2 VAL 42 -4.850 6.548 -6.550 345 H GLN 43 H GLN 43 -1.936 4.807 -9.702 346 HA GLN 43 HA GLN 43 -0.206 2.467 -8.979 347 1HB GLN 43 2HB GLN 43 0.174 4.285 -11.361 348 2HB GLN 43 1HB GLN 43 0.617 2.588 -11.191 349 1HG GLN 43 2HG GLN 43 -2.087 2.435 -10.866 350 2HG GLN 43 1HG GLN 43 -1.966 3.792 -11.987 351 1HE2 GLN 43 1HE2 GLN 43 -1.257 3.356 -14.153 352 2HE2 GLN 43 2HE2 GLN 43 -0.965 1.784 -14.724 353 H LEU 44 H LEU 44 0.708 3.486 -7.105 354 HA LEU 44 HA LEU 44 1.656 6.157 -6.956 355 1HB LEU 44 2HB LEU 44 2.021 3.566 -5.550 356 2HB LEU 44 1HB LEU 44 3.207 4.822 -5.204 357 HG LEU 44 HG LEU 44 0.226 5.320 -5.117 358 1HD1 LEU 44 1HD1 LEU 44 2.111 4.294 -3.003 359 2HD1 LEU 44 2HD1 LEU 44 0.478 3.755 -3.382 360 3HD1 LEU 44 3HD1 LEU 44 0.730 5.290 -2.555 361 1HD2 LEU 44 1HD2 LEU 44 1.310 7.378 -5.267 362 2HD2 LEU 44 2HD2 LEU 44 2.729 6.807 -4.390 363 3HD2 LEU 44 3HD2 LEU 44 1.233 7.149 -3.520 364 H THR 45 H THR 45 3.011 6.892 -8.556 365 HA THR 45 HA THR 45 4.814 6.873 -10.116 366 HB THR 45 HB THR 45 5.913 8.004 -8.444 367 HG1 THR 45 HG1 THR 45 7.458 6.683 -9.503 368 1HG2 THR 45 1HG2 THR 45 6.359 7.096 -6.183 369 2HG2 THR 45 2HG2 THR 45 5.637 5.564 -6.665 370 3HG2 THR 45 3HG2 THR 45 4.646 7.015 -6.582 371 H GLY 46 H GLY 46 6.529 4.627 -8.029 372 1HA GLY 46 2HA GLY 46 6.029 2.379 -9.875 373 2HA GLY 46 1HA GLY 46 7.688 2.974 -9.787 374 H PHE 47 H PHE 47 5.550 2.997 -6.983 375 HA PHE 47 HA PHE 47 7.068 0.682 -5.895 376 1HB PHE 47 2HB PHE 47 7.763 1.864 -4.037 377 2HB PHE 47 1HB PHE 47 7.802 3.115 -5.270 378 HD1 PHE 47 HD1 PHE 47 5.817 1.712 -2.480 379 HD2 PHE 47 HD2 PHE 47 6.358 4.971 -5.192 380 HE1 PHE 47 HE1 PHE 47 4.212 3.060 -1.172 381 HE2 PHE 47 HE2 PHE 47 4.744 6.328 -3.897 382 HZ PHE 47 HZ PHE 47 3.666 5.362 -1.899 383 H LEU 48 H LEU 48 3.975 2.355 -6.056 384 HA LEU 48 HA LEU 48 2.879 0.025 -4.562 385 1HB LEU 48 2HB LEU 48 2.749 2.874 -3.935 386 2HB LEU 48 1HB LEU 48 1.179 2.072 -3.895 387 HG LEU 48 HG LEU 48 3.660 1.401 -2.306 388 1HD1 LEU 48 1HD1 LEU 48 2.130 3.093 -1.398 389 2HD1 LEU 48 2HD1 LEU 48 2.117 1.627 -0.416 390 3HD1 LEU 48 3HD1 LEU 48 0.791 1.953 -1.534 391 1HD2 LEU 48 1HD2 LEU 48 1.780 -0.419 -1.484 392 2HD2 LEU 48 2HD2 LEU 48 3.089 -0.783 -2.607 393 3HD2 LEU 48 3HD2 LEU 48 1.487 -0.376 -3.222 394 H ASN 49 H ASN 49 1.528 -1.064 -5.875 395 HA ASN 49 HA ASN 49 0.016 0.471 -7.973 396 1HB ASN 49 2HB ASN 49 1.759 -1.872 -7.964 397 2HB ASN 49 1HB ASN 49 0.198 -2.232 -8.703 398 1HD2 ASN 49 1HD2 ASN 49 2.213 0.768 -8.720 399 2HD2 ASN 49 2HD2 ASN 49 2.263 0.897 -10.412 400 H ILE 50 H ILE 50 -1.837 0.688 -6.394 401 HA ILE 50 HA ILE 50 -3.145 -1.781 -5.453 402 HB ILE 50 HB ILE 50 -4.790 -0.188 -4.553 403 1HG1 ILE 50 2HG1 ILE 50 -3.491 2.279 -5.167 404 2HG1 ILE 50 1HG1 ILE 50 -3.866 1.444 -6.676 405 1HG2 ILE 50 1HG2 ILE 50 -3.073 -0.354 -3.016 406 2HG2 ILE 50 2HG2 ILE 50 -2.966 1.366 -3.392 407 3HG2 ILE 50 3HG2 ILE 50 -1.859 0.225 -4.155 408 1HD1 ILE 50 1HD1 ILE 50 -5.974 1.427 -4.565 409 2HD1 ILE 50 2HD1 ILE 50 -6.143 1.521 -6.318 410 3HD1 ILE 50 3HD1 ILE 50 -5.693 2.955 -5.397 411 H LYS 51 H LYS 51 -5.148 -2.622 -6.271 412 HA LYS 51 HA LYS 51 -6.545 -1.214 -8.428 413 1HB LYS 51 2HB LYS 51 -5.993 -3.085 -10.094 414 2HB LYS 51 1HB LYS 51 -4.689 -1.958 -9.732 415 1HG LYS 51 2HG LYS 51 -3.457 -3.522 -8.602 416 2HG LYS 51 1HG LYS 51 -4.885 -4.346 -7.979 417 1HD LYS 51 2HD LYS 51 -4.060 -4.451 -10.889 418 2HD LYS 51 1HD LYS 51 -3.561 -5.658 -9.703 419 1HE LYS 51 2HE LYS 51 -5.718 -6.510 -9.461 420 2HE LYS 51 1HE LYS 51 -6.483 -4.985 -9.950 421 1HZ LYS 51 1HZ LYS 51 -5.703 -5.288 -12.178 422 2HZ LYS 51 2HZ LYS 51 -6.521 -6.704 -11.716 423 3HZ LYS 51 3HZ LYS 51 -4.823 -6.672 -11.745 424 HA PRO 52 HA PRO 52 -9.394 -4.018 -6.352 425 1HB PRO 52 2HB PRO 52 -11.670 -2.869 -7.321 426 2HB PRO 52 1HB PRO 52 -10.757 -2.199 -5.955 427 1HG PRO 52 2HG PRO 52 -10.753 -1.380 -8.816 428 2HG PRO 52 1HG PRO 52 -10.724 -0.378 -7.355 429 1HD PRO 52 2HD PRO 52 -8.509 -0.891 -8.838 430 2HD PRO 52 1HD PRO 52 -8.456 -0.604 -7.084 431 H VAL 53 H VAL 53 -10.451 -5.843 -7.065 432 HA VAL 53 HA VAL 53 -11.004 -6.121 -9.972 433 HB VAL 53 HB VAL 53 -9.872 -8.298 -9.944 434 1HG1 VAL 53 1HG1 VAL 53 -8.666 -6.018 -10.304 435 2HG1 VAL 53 2HG1 VAL 53 -7.665 -7.441 -10.013 436 3HG1 VAL 53 3HG1 VAL 53 -7.977 -6.299 -8.705 437 1HG2 VAL 53 1HG2 VAL 53 -8.325 -8.354 -7.680 438 2HG2 VAL 53 2HG2 VAL 53 -9.831 -9.252 -7.865 439 3HG2 VAL 53 3HG2 VAL 53 -9.829 -7.690 -7.056 440 H ALA 54 H ALA 54 -13.096 -6.572 -10.088 441 HA ALA 54 HA ALA 54 -14.912 -7.265 -8.138 442 1HB ALA 54 1HB ALA 54 -14.942 -6.866 -10.821 443 2HB ALA 54 2HB ALA 54 -16.342 -7.433 -9.910 444 3HB ALA 54 3HB ALA 54 -15.315 -8.589 -10.757 445 H ARG 55 H ARG 55 -14.922 -8.908 -6.719 446 HA ARG 55 HA ARG 55 -14.541 -11.699 -7.695 447 1HB ARG 55 2HB ARG 55 -13.023 -10.219 -5.541 448 2HB ARG 55 1HB ARG 55 -13.168 -11.977 -5.497 449 1HG ARG 55 2HG ARG 55 -12.465 -11.344 -8.155 450 2HG ARG 55 1HG ARG 55 -11.434 -10.338 -7.139 451 1HD ARG 55 2HD ARG 55 -10.124 -12.178 -6.880 452 2HD ARG 55 1HD ARG 55 -11.421 -12.839 -5.866 453 HE ARG 55 HE ARG 55 -12.415 -13.540 -8.216 454 1HH1 ARG 55 1HH2 ARG 55 -9.898 -14.815 -6.595 455 2HH1 ARG 55 2HH2 ARG 55 -9.051 -15.458 -7.962 456 1HH2 ARG 55 1HH1 ARG 55 -10.987 -13.769 -10.291 457 2HH2 ARG 55 2HH1 ARG 55 -9.667 -14.867 -10.054 458 H GLN 56 H GLN 56 -16.054 -13.076 -6.707 459 HA GLN 56 HA GLN 56 -17.918 -11.820 -4.768 460 1HB GLN 56 2HB GLN 56 -18.037 -14.467 -6.226 461 2HB GLN 56 1HB GLN 56 -19.367 -13.676 -5.382 462 1HG GLN 56 2HG GLN 56 -19.867 -12.784 -7.410 463 2HG GLN 56 1HG GLN 56 -18.523 -11.688 -7.086 464 1HE2 GLN 56 1HE2 GLN 56 -19.524 -12.999 -9.696 465 2HE2 GLN 56 2HE2 GLN 56 -18.130 -13.711 -10.353 466 H ALA 57 H ALA 57 -18.889 -13.753 -3.245 467 HA ALA 57 HA ALA 57 -16.978 -15.646 -2.175 468 1HB ALA 57 1HB ALA 57 -16.621 -12.931 -1.513 469 2HB ALA 57 2HB ALA 57 -15.826 -14.318 -0.770 470 3HB ALA 57 3HB ALA 57 -17.319 -13.682 -0.080 471 H ARG 58 H ARG 58 -17.860 -15.418 0.561 472 HA ARG 58 HA ARG 58 -20.691 -16.366 0.272 473 1HB ARG 58 2HB ARG 58 -20.059 -17.788 2.203 474 2HB ARG 58 1HB ARG 58 -18.932 -17.995 0.867 475 1HG ARG 58 2HG ARG 58 -18.094 -15.825 2.599 476 2HG ARG 58 1HG ARG 58 -18.283 -17.321 3.510 477 1HD ARG 58 2HD ARG 58 -17.007 -18.229 1.251 478 2HD ARG 58 1HD ARG 58 -16.278 -16.625 1.459 479 HE ARG 58 HE ARG 58 -16.516 -18.164 3.945 480 1HH1 ARG 58 1HH2 ARG 58 -14.749 -18.796 1.208 481 2HH1 ARG 58 2HH2 ARG 58 -13.189 -18.582 1.931 482 1HH2 ARG 58 1HH1 ARG 58 -14.442 -17.265 4.884 483 2HH2 ARG 58 2HH1 ARG 58 -13.015 -17.714 4.010 484 H LYS 59 H LYS 59 -20.928 -16.454 3.240 485 HA LYS 59 HA LYS 59 -20.827 -13.580 4.036 486 1HB LYS 59 2HB LYS 59 -23.291 -15.249 4.448 487 2HB LYS 59 1HB LYS 59 -23.111 -13.504 4.599 488 1HG LYS 59 2HG LYS 59 -24.118 -13.575 2.517 489 2HG LYS 59 1HG LYS 59 -22.437 -13.735 2.013 490 1HD LYS 59 2HD LYS 59 -22.953 -16.324 2.443 491 2HD LYS 59 1HD LYS 59 -24.597 -15.793 2.094 492 1HE LYS 59 2HE LYS 59 -22.684 -14.650 0.202 493 2HE LYS 59 1HE LYS 59 -22.662 -16.424 0.184 494 1HZ LYS 59 1HZ LYS 59 -25.050 -14.671 -0.038 495 2HZ LYS 59 2HZ LYS 59 -25.121 -16.358 0.146 496 3HZ LYS 59 3HZ LYS 59 -24.418 -15.681 -1.244 497 H GLY 60 H GLY 60 -22.565 -14.275 6.398 498 1HA GLY 60 2HA GLY 60 -20.968 -16.383 7.691 499 2HA GLY 60 1HA GLY 60 -20.877 -14.781 8.409 500 H PHE 61 H PHE 61 -22.823 -17.646 8.032 501 HA PHE 61 HA PHE 61 -24.404 -16.893 10.329 502 1HB PHE 61 2HB PHE 61 -26.455 -16.412 9.286 503 2HB PHE 61 1HB PHE 61 -25.290 -15.648 8.202 504 HD1 PHE 61 HD1 PHE 61 -24.728 -16.662 6.043 505 HD2 PHE 61 HD2 PHE 61 -27.578 -18.506 8.664 506 HE1 PHE 61 HE1 PHE 61 -25.496 -18.086 4.198 507 HE2 PHE 61 HE2 PHE 61 -28.346 -19.920 6.823 508 HZ PHE 61 HZ PHE 61 -27.320 -19.714 4.568 509 H ASN 62 H ASN 62 -25.897 -18.626 10.977 510 HA ASN 62 HA ASN 62 -25.499 -21.198 9.540 511 1HB ASN 62 2HB ASN 62 -24.558 -22.221 11.404 512 2HB ASN 62 1HB ASN 62 -23.901 -20.593 11.510 513 1HD2 ASN 62 1HD2 ASN 62 -26.531 -22.657 12.812 514 2HD2 ASN 62 2HD2 ASN 62 -26.703 -21.789 14.260 515 HA PRO 63 HA PRO 63 -29.374 -21.516 12.368 516 1HB PRO 63 2HB PRO 63 -30.750 -19.196 12.826 517 2HB PRO 63 1HB PRO 63 -29.520 -19.834 13.935 518 1HG PRO 63 2HG PRO 63 -29.328 -17.636 11.957 519 2HG PRO 63 1HG PRO 63 -28.564 -17.802 13.544 520 1HD PRO 63 2HD PRO 63 -27.304 -18.232 11.143 521 2HD PRO 63 1HD PRO 63 -26.769 -18.916 12.694 522 H GLN 64 H GLN 64 -28.883 -19.612 9.577 523 HA GLN 64 HA GLN 64 -31.672 -19.847 8.640 524 1HB GLN 64 2HB GLN 64 -29.434 -18.143 8.216 525 2HB GLN 64 1HB GLN 64 -29.856 -18.878 6.670 526 1HG GLN 64 2HG GLN 64 -31.214 -16.946 6.770 527 2HG GLN 64 1HG GLN 64 -32.293 -18.254 7.253 528 1HE2 GLN 64 1HE2 GLN 64 -33.615 -16.794 8.570 529 2HE2 GLN 64 2HE2 GLN 64 -33.041 -16.179 10.044 530 H THR 65 H THR 65 -30.642 -22.330 9.118 531 HA THR 65 HA THR 65 -30.273 -24.429 8.123 532 HB THR 65 HB THR 65 -31.514 -24.756 6.152 533 HG1 THR 65 HG1 THR 65 -30.376 -23.488 4.750 534 1HG2 THR 65 1HG2 THR 65 -32.714 -22.098 6.837 535 2HG2 THR 65 2HG2 THR 65 -32.691 -23.365 8.064 536 3HG2 THR 65 3HG2 THR 65 -33.513 -23.640 6.529 537 H GLN 66 H GLN 66 -27.922 -22.961 8.362 538 HA GLN 66 HA GLN 66 -26.398 -23.903 6.028 539 1HB GLN 66 2HB GLN 66 -27.338 -21.282 6.374 540 2HB GLN 66 1HB GLN 66 -25.598 -21.231 6.603 541 1HG GLN 66 2HG GLN 66 -25.777 -20.988 4.285 542 2HG GLN 66 1HG GLN 66 -25.561 -22.731 4.443 543 1HE2 GLN 66 1HE2 GLN 66 -28.605 -21.019 5.258 544 2HE2 GLN 66 2HE2 GLN 66 -29.519 -21.732 4.023 545 H GLU 67 H GLU 67 -24.121 -22.327 6.757 546 HA GLU 67 HA GLU 67 -23.425 -23.302 9.479 547 1HB GLU 67 2HB GLU 67 -22.062 -23.647 6.805 548 2HB GLU 67 1HB GLU 67 -21.108 -23.657 8.289 549 1HG GLU 67 2HG GLU 67 -21.612 -25.924 8.039 550 2HG GLU 67 1HG GLU 67 -22.908 -25.385 9.108 551 H ALA 68 H ALA 68 -22.584 -21.622 10.635 552 HA ALA 68 HA ALA 68 -22.555 -18.951 9.705 553 1HB ALA 68 1HB ALA 68 -22.680 -19.089 11.969 554 2HB ALA 68 2HB ALA 68 -20.938 -18.841 11.833 555 3HB ALA 68 3HB ALA 68 -21.585 -20.469 12.049 556 H LEU 69 H LEU 69 -21.139 -17.752 8.657 557 HA LEU 69 HA LEU 69 -18.280 -18.607 8.421 558 1HB LEU 69 2HB LEU 69 -19.685 -17.674 5.946 559 2HB LEU 69 1HB LEU 69 -18.368 -18.826 6.109 560 HG LEU 69 HG LEU 69 -21.172 -19.425 7.053 561 1HD1 LEU 69 1HD1 LEU 69 -21.779 -20.250 4.985 562 2HD1 LEU 69 2HD1 LEU 69 -20.108 -20.511 4.483 563 3HD1 LEU 69 3HD1 LEU 69 -20.783 -18.881 4.494 564 1HD2 LEU 69 1HD2 LEU 69 -19.612 -21.666 6.125 565 2HD2 LEU 69 2HD2 LEU 69 -20.250 -21.369 7.740 566 3HD2 LEU 69 3HD2 LEU 69 -18.666 -20.743 7.292 567 H GLU 70 H GLU 70 -18.263 -16.389 6.157 568 HA GLU 70 HA GLU 70 -18.973 -13.965 7.573 569 1HB GLU 70 2HB GLU 70 -16.891 -15.039 8.728 570 2HB GLU 70 1HB GLU 70 -15.995 -14.447 7.330 571 1HG GLU 70 2HG GLU 70 -17.359 -12.208 7.924 572 2HG GLU 70 1HG GLU 70 -17.293 -12.923 9.536 573 H ILE 71 H ILE 71 -16.227 -12.945 6.163 574 HA ILE 71 HA ILE 71 -16.677 -11.251 4.382 575 HB ILE 71 HB ILE 71 -14.578 -12.282 4.550 576 1HG1 ILE 71 2HG1 ILE 71 -15.501 -11.353 2.251 577 2HG1 ILE 71 1HG1 ILE 71 -13.862 -11.967 2.438 578 1HG2 ILE 71 1HG2 ILE 71 -15.078 -14.572 4.931 579 2HG2 ILE 71 2HG2 ILE 71 -14.231 -14.562 3.384 580 3HG2 ILE 71 3HG2 ILE 71 -15.988 -14.698 3.426 581 1HD1 ILE 71 1HD1 ILE 71 -14.478 -14.116 1.526 582 2HD1 ILE 71 2HD1 ILE 71 -15.103 -12.892 0.426 583 3HD1 ILE 71 3HD1 ILE 71 -16.189 -13.698 1.554 584 H ALA 72 H ALA 72 -17.322 -10.887 2.294 585 HA ALA 72 HA ALA 72 -19.051 -12.939 0.988 586 1HB ALA 72 1HB ALA 72 -20.072 -10.226 0.842 587 2HB ALA 72 2HB ALA 72 -19.808 -10.713 2.515 588 3HB ALA 72 3HB ALA 72 -20.856 -11.675 1.473 589 HA PRO 73 HA PRO 73 -17.871 -11.509 -2.969 590 1HB PRO 73 2HB PRO 73 -20.092 -10.436 -4.180 591 2HB PRO 73 1HB PRO 73 -19.846 -12.178 -3.945 592 1HG PRO 73 2HG PRO 73 -21.466 -10.259 -2.344 593 2HG PRO 73 1HG PRO 73 -21.845 -11.918 -2.840 594 1HD PRO 73 2HD PRO 73 -21.002 -11.320 -0.360 595 2HD PRO 73 1HD PRO 73 -20.588 -12.855 -1.146 596 H SER 74 H SER 74 -16.520 -9.857 -3.156 597 HA SER 74 HA SER 74 -17.452 -7.076 -3.319 598 1HB SER 74 2HB SER 74 -16.886 -7.975 -0.851 599 2HB SER 74 1HB SER 74 -15.244 -7.613 -1.374 600 HG SER 74 HG SER 74 -16.469 -5.853 -0.353 601 H VAL 75 H VAL 75 -15.855 -5.800 -4.467 602 HA VAL 75 HA VAL 75 -14.225 -7.062 -6.349 603 HB VAL 75 HB VAL 75 -14.906 -4.498 -5.676 604 1HG1 VAL 75 1HG1 VAL 75 -12.842 -4.641 -4.059 605 2HG1 VAL 75 2HG1 VAL 75 -13.064 -3.200 -5.049 606 3HG1 VAL 75 3HG1 VAL 75 -11.905 -4.436 -5.537 607 1HG2 VAL 75 1HG2 VAL 75 -14.329 -5.473 -7.923 608 2HG2 VAL 75 2HG2 VAL 75 -12.630 -5.208 -7.535 609 3HG2 VAL 75 3HG2 VAL 75 -13.727 -3.836 -7.671 610 H GLY 76 H GLY 76 -11.783 -7.015 -6.447 611 1HA GLY 76 2HA GLY 76 -10.682 -7.909 -3.808 612 2HA GLY 76 1HA GLY 76 -10.082 -8.464 -5.374 613 H VAL 77 H VAL 77 -10.217 -5.734 -3.180 614 HA VAL 77 HA VAL 77 -8.787 -3.821 -4.705 615 HB VAL 77 HB VAL 77 -8.852 -4.362 -1.719 616 1HG1 VAL 77 1HG1 VAL 77 -7.353 -2.671 -1.635 617 2HG1 VAL 77 2HG1 VAL 77 -8.678 -1.623 -2.131 618 3HG1 VAL 77 3HG1 VAL 77 -7.577 -2.279 -3.339 619 1HG2 VAL 77 1HG2 VAL 77 -10.654 -2.827 -3.603 620 2HG2 VAL 77 2HG2 VAL 77 -10.651 -2.541 -1.867 621 3HG2 VAL 77 3HG2 VAL 77 -11.095 -4.124 -2.493 622 H SER 78 H SER 78 -7.150 -5.246 -5.757 623 HA SER 78 HA SER 78 -5.053 -6.447 -4.132 624 1HB SER 78 2HB SER 78 -4.370 -5.836 -6.903 625 2HB SER 78 1HB SER 78 -4.551 -7.401 -6.121 626 HG SER 78 HG SER 78 -6.493 -7.533 -6.909 627 H VAL 79 H VAL 79 -2.715 -5.752 -4.818 628 HA VAL 79 HA VAL 79 -2.018 -3.064 -5.427 629 HB VAL 79 HB VAL 79 -3.232 -2.571 -3.343 630 1HG1 VAL 79 1HG1 VAL 79 -2.414 -3.573 -1.200 631 2HG1 VAL 79 2HG1 VAL 79 -1.364 -4.634 -2.141 632 3HG1 VAL 79 3HG1 VAL 79 -3.116 -4.764 -2.296 633 1HG2 VAL 79 1HG2 VAL 79 -1.562 -1.316 -2.230 634 2HG2 VAL 79 2HG2 VAL 79 -0.965 -1.458 -3.883 635 3HG2 VAL 79 3HG2 VAL 79 -0.304 -2.490 -2.616 636 H LYS 80 H LYS 80 0.408 -2.697 -4.489 637 HA LYS 80 HA LYS 80 1.865 -5.029 -3.634 638 1HB LYS 80 2HB LYS 80 1.251 -4.635 -6.471 639 2HB LYS 80 1HB LYS 80 2.982 -4.778 -6.179 640 1HG LYS 80 2HG LYS 80 2.825 -6.974 -5.690 641 2HG LYS 80 1HG LYS 80 1.413 -6.728 -4.662 642 1HD LYS 80 2HD LYS 80 -0.071 -6.748 -6.547 643 2HD LYS 80 1HD LYS 80 1.275 -6.669 -7.684 644 1HE LYS 80 2HE LYS 80 1.904 -8.922 -6.215 645 2HE LYS 80 1HE LYS 80 0.133 -9.012 -6.317 646 1HZ LYS 80 1HZ LYS 80 1.960 -8.505 -8.607 647 2HZ LYS 80 2HZ LYS 80 0.267 -8.617 -8.687 648 3HZ LYS 80 3HZ LYS 80 1.194 -9.982 -8.283 649 HA PRO 81 HA PRO 81 5.083 -1.946 -3.497 650 1HB PRO 81 2HB PRO 81 7.234 -3.597 -3.235 651 2HB PRO 81 1HB PRO 81 6.022 -3.416 -1.952 652 1HG PRO 81 2HG PRO 81 6.510 -5.676 -3.741 653 2HG PRO 81 1HG PRO 81 5.643 -5.627 -2.205 654 1HD PRO 81 2HD PRO 81 4.547 -5.613 -4.869 655 2HD PRO 81 1HD PRO 81 3.682 -5.637 -3.319 656 H GLY 82 H GLY 82 6.497 -0.905 -4.948 657 1HA GLY 82 2HA GLY 82 7.029 -2.328 -7.522 658 2HA GLY 82 1HA GLY 82 6.955 -0.572 -7.350 659 H GLU 83 H GLU 83 9.225 -1.793 -8.501 660 HA GLU 83 HA GLU 83 11.330 -2.439 -6.722 661 1HB GLU 83 2HB GLU 83 12.769 -1.791 -8.619 662 2HB GLU 83 1HB GLU 83 11.378 -2.731 -9.156 663 1HG GLU 83 2HG GLU 83 10.484 -0.077 -9.192 664 2HG GLU 83 1HG GLU 83 12.126 0.002 -9.833 665 H SER 84 H SER 84 9.908 0.684 -7.470 666 HA SER 84 HA SER 84 12.012 2.438 -6.729 667 1HB SER 84 2HB SER 84 9.010 2.462 -6.604 668 2HB SER 84 1HB SER 84 9.901 3.791 -5.871 669 HG SER 84 HG SER 84 9.734 2.982 -8.552 670 H LEU 85 H LEU 85 9.725 0.576 -4.785 671 HA LEU 85 HA LEU 85 10.666 1.652 -2.223 672 1HB LEU 85 2HB LEU 85 8.442 0.251 -3.250 673 2HB LEU 85 1HB LEU 85 9.228 -0.878 -2.150 674 HG LEU 85 HG LEU 85 8.464 1.967 -1.458 675 1HD1 LEU 85 1HD1 LEU 85 6.814 -0.294 -1.645 676 2HD1 LEU 85 2HD1 LEU 85 6.444 1.219 -0.818 677 3HD1 LEU 85 3HD1 LEU 85 7.160 -0.118 0.075 678 1HD2 LEU 85 1HD2 LEU 85 10.124 1.586 0.073 679 2HD2 LEU 85 2HD2 LEU 85 10.033 -0.164 -0.121 680 3HD2 LEU 85 3HD2 LEU 85 8.859 0.673 0.892 681 H LYS 86 H LYS 86 11.284 -1.125 -4.298 682 HA LYS 86 HA LYS 86 12.822 -2.601 -2.321 683 1HB LYS 86 2HB LYS 86 11.648 -3.020 -4.847 684 2HB LYS 86 1HB LYS 86 13.380 -3.238 -5.097 685 1HG LYS 86 2HG LYS 86 13.457 -4.851 -3.240 686 2HG LYS 86 1HG LYS 86 11.729 -4.628 -2.965 687 1HD LYS 86 2HD LYS 86 12.029 -5.188 -5.727 688 2HD LYS 86 1HD LYS 86 13.042 -6.350 -4.871 689 1HE LYS 86 2HE LYS 86 11.223 -7.265 -3.694 690 2HE LYS 86 1HE LYS 86 10.222 -5.820 -3.935 691 1HZ LYS 86 1HZ LYS 86 9.971 -6.284 -6.202 692 2HZ LYS 86 2HZ LYS 86 9.749 -7.789 -5.446 693 3HZ LYS 86 3HZ LYS 86 11.222 -7.428 -6.210 694 H LYS 87 H LYS 87 13.575 -0.529 -5.074 695 HA LYS 87 HA LYS 87 16.422 -0.800 -4.917 696 1HB LYS 87 2HB LYS 87 15.227 0.090 -6.882 697 2HB LYS 87 1HB LYS 87 14.611 1.432 -5.917 698 1HG LYS 87 2HG LYS 87 16.924 2.217 -5.534 699 2HG LYS 87 1HG LYS 87 17.535 0.883 -6.515 700 1HD LYS 87 2HD LYS 87 15.435 2.564 -7.772 701 2HD LYS 87 1HD LYS 87 17.003 3.335 -7.534 702 1HE LYS 87 2HE LYS 87 18.106 1.442 -8.707 703 2HE LYS 87 1HE LYS 87 16.513 0.708 -8.985 704 1HZ LYS 87 1HZ LYS 87 17.194 2.099 -10.863 705 2HZ LYS 87 2HZ LYS 87 17.315 3.444 -9.830 706 3HZ LYS 87 3HZ LYS 87 15.806 2.716 -10.109 707 H ALA 88 H ALA 88 14.023 1.326 -3.441 708 HA ALA 88 HA ALA 88 15.914 2.978 -2.001 709 1HB ALA 88 1HB ALA 88 13.915 3.664 -0.795 710 2HB ALA 88 2HB ALA 88 13.070 2.191 -1.269 711 3HB ALA 88 3HB ALA 88 13.445 3.419 -2.477 712 H ALA 89 H ALA 89 14.243 -0.092 -1.505 713 HA ALA 89 HA ALA 89 14.884 -0.549 1.229 714 1HB ALA 89 1HB ALA 89 13.989 -2.616 0.779 715 2HB ALA 89 2HB ALA 89 14.995 -2.845 -0.652 716 3HB ALA 89 3HB ALA 89 13.541 -1.853 -0.744 717 H GLU 90 H GLU 90 16.771 -1.108 -1.726 718 HA GLU 90 HA GLU 90 19.020 -2.405 -0.527 719 1HB GLU 90 2HB GLU 90 19.805 -2.172 -2.669 720 2HB GLU 90 1HB GLU 90 18.249 -1.433 -3.032 721 1HG GLU 90 2HG GLU 90 19.197 0.794 -2.451 722 2HG GLU 90 1HG GLU 90 20.762 0.032 -2.168 723 H GLY 91 H GLY 91 17.891 0.908 -0.696 724 1HA GLY 91 2HA GLY 91 20.173 2.268 0.346 725 2HA GLY 91 1HA GLY 91 18.509 2.835 0.485 726 H LEU 92 H LEU 92 17.400 0.689 2.058 727 HA LEU 92 HA LEU 92 18.213 1.481 4.698 728 1HB LEU 92 2HB LEU 92 16.424 0.145 5.328 729 2HB LEU 92 1HB LEU 92 16.047 0.363 3.626 730 HG LEU 92 HG LEU 92 17.599 -1.809 3.400 731 1HD1 LEU 92 1HD1 LEU 92 16.361 -3.053 5.603 732 2HD1 LEU 92 2HD1 LEU 92 17.049 -1.560 6.242 733 3HD1 LEU 92 3HD1 LEU 92 18.081 -2.721 5.408 734 1HD2 LEU 92 1HD2 LEU 92 15.604 -2.418 2.542 735 2HD2 LEU 92 2HD2 LEU 92 14.760 -1.249 3.553 736 3HD2 LEU 92 3HD2 LEU 92 15.093 -2.865 4.167 737 H LYS 93 H LYS 93 20.030 -0.239 2.599 738 HA LYS 93 HA LYS 93 22.033 -1.436 2.960 739 1HB LYS 93 2HB LYS 93 21.146 -1.743 5.847 740 2HB LYS 93 1HB LYS 93 22.777 -1.854 5.200 741 1HG LYS 93 2HG LYS 93 21.483 0.708 4.585 742 2HG LYS 93 1HG LYS 93 21.666 0.418 6.313 743 1HD LYS 93 2HD LYS 93 24.092 -0.410 5.098 744 2HD LYS 93 1HD LYS 93 23.681 1.153 4.390 745 1HE LYS 93 2HE LYS 93 23.374 2.083 6.690 746 2HE LYS 93 1HE LYS 93 23.907 0.526 7.356 747 1HZ LYS 93 1HZ LYS 93 25.467 2.068 5.357 748 2HZ LYS 93 2HZ LYS 93 25.977 0.709 6.242 749 3HZ LYS 93 3HZ LYS 93 25.727 2.194 7.029 750 H TYR 94 H TYR 94 19.963 -2.593 1.786 751 HA TYR 94 HA TYR 94 18.602 -4.797 2.725 752 1HB TYR 94 2HB TYR 94 18.352 -4.028 0.493 753 2HB TYR 94 1HB TYR 94 20.071 -4.128 0.175 754 HD1 TYR 94 HD1 TYR 94 16.871 -5.848 -0.091 755 HD2 TYR 94 HD2 TYR 94 21.120 -6.457 -0.020 756 HE1 TYR 94 HE1 TYR 94 16.589 -7.992 -1.267 757 HE2 TYR 94 HE2 TYR 94 20.828 -8.607 -1.187 758 HH TYR 94 HH TYR 94 18.352 -9.425 -2.897 759 H GLU 95 H GLU 95 21.877 -5.091 1.300 760 HA GLU 95 HA GLU 95 22.438 -7.738 2.057 761 1HB GLU 95 2HB GLU 95 24.327 -5.374 2.013 762 2HB GLU 95 1HB GLU 95 24.779 -7.069 1.836 763 1HG GLU 95 2HG GLU 95 23.026 -7.014 -0.138 764 2HG GLU 95 1HG GLU 95 23.350 -5.281 -0.102 765 H ASP 96 H ASP 96 22.621 -4.781 3.990 766 HA ASP 96 HA ASP 96 24.019 -5.869 6.239 767 1HB ASP 96 2HB ASP 96 23.425 -3.443 5.635 768 2HB ASP 96 1HB ASP 96 21.839 -3.773 6.335 769 H PHE 97 H PHE 97 20.691 -6.155 5.130 770 HA PHE 97 HA PHE 97 19.756 -7.268 7.704 771 1HB PHE 97 2HB PHE 97 18.682 -6.281 5.178 772 2HB PHE 97 1HB PHE 97 17.923 -7.801 5.645 773 HD1 PHE 97 HD1 PHE 97 19.155 -4.737 7.438 774 HD2 PHE 97 HD2 PHE 97 15.950 -7.534 6.847 775 HE1 PHE 97 HE1 PHE 97 17.794 -3.535 9.127 776 HE2 PHE 97 HE2 PHE 97 14.588 -6.331 8.535 777 HZ PHE 97 HZ PHE 97 15.511 -4.332 9.675 778 H ALA 98 H ALA 98 21.205 -8.326 4.741 779 HA ALA 98 HA ALA 98 20.323 -11.080 4.731 780 1HB ALA 98 1HB ALA 98 22.196 -9.297 3.349 781 2HB ALA 98 2HB ALA 98 21.286 -10.664 2.714 782 3HB ALA 98 3HB ALA 98 22.831 -10.931 3.514 783 H LYS 99 H LYS 99 23.051 -9.358 6.176 784 HA LYS 99 HA LYS 99 23.773 -11.866 7.664 785 1HB LYS 99 2HB LYS 99 25.516 -9.630 6.575 786 2HB LYS 99 1HB LYS 99 26.110 -10.981 7.541 787 1HG LYS 99 2HG LYS 99 25.730 -12.537 5.851 788 2HG LYS 99 1HG LYS 99 24.487 -11.550 5.083 789 1HD LYS 99 2HD LYS 99 26.613 -9.891 4.827 790 2HD LYS 99 1HD LYS 99 27.436 -11.450 4.775 791 1HE LYS 99 2HE LYS 99 25.035 -10.756 3.047 792 2HE LYS 99 1HE LYS 99 26.720 -10.655 2.499 793 1HZ LYS 99 1HZ LYS 99 25.406 -13.075 3.623 794 2HZ LYS 99 2HZ LYS 99 27.027 -12.972 3.123 795 3HZ LYS 99 3HZ LYS 99 25.772 -12.826 1.985 796 1H MET 1 1H MET 1 -5.654 6.738 -11.385 797 2H MET 1 2H MET 1 -6.834 7.037 -10.200 798 3H MET 1 3H MET 1 -5.504 6.042 -9.846 799 HA MET 1 HA MET 1 -5.269 8.925 -10.527 800 1HB MET 1 2HB MET 1 -5.885 7.398 -8.048 801 2HB MET 1 1HB MET 1 -4.735 8.724 -7.885 802 1HG MET 1 2HG MET 1 -6.304 10.334 -8.415 803 2HG MET 1 1HG MET 1 -7.238 9.237 -9.433 804 1HE MET 1 1HE MET 1 -5.943 8.439 -5.732 805 2HE MET 1 2HE MET 1 -7.126 9.413 -4.861 806 3HE MET 1 3HE MET 1 -6.042 10.182 -6.018 807 H ASN 2 H ASN 2 -3.098 9.463 -8.968 808 HA ASN 2 HA ASN 2 -1.082 7.408 -8.965 809 1HB ASN 2 2HB ASN 2 -1.684 8.706 -11.436 810 2HB ASN 2 1HB ASN 2 -0.085 9.244 -10.925 811 1HD2 ASN 2 1HD2 ASN 2 1.624 7.817 -11.331 812 2HD2 ASN 2 2HD2 ASN 2 1.437 6.182 -11.747 813 H LYS 3 H LYS 3 1.244 8.810 -9.153 814 HA LYS 3 HA LYS 3 1.418 10.272 -6.731 815 1HB LYS 3 2HB LYS 3 3.252 9.200 -8.149 816 2HB LYS 3 1HB LYS 3 3.185 10.641 -9.165 817 1HG LYS 3 2HG LYS 3 4.000 12.037 -7.478 818 2HG LYS 3 1HG LYS 3 3.472 10.957 -6.188 819 1HD LYS 3 2HD LYS 3 5.367 9.603 -7.905 820 2HD LYS 3 1HD LYS 3 6.053 11.118 -7.334 821 1HE LYS 3 2HE LYS 3 6.428 9.049 -5.825 822 2HE LYS 3 1HE LYS 3 5.766 10.484 -5.024 823 1HZ LYS 3 1HZ LYS 3 3.819 8.721 -6.282 824 2HZ LYS 3 2HZ LYS 3 3.739 9.550 -4.801 825 3HZ LYS 3 3HZ LYS 3 4.598 8.090 -4.915 826 H THR 4 H THR 4 0.023 11.233 -9.695 827 HA THR 4 HA THR 4 0.304 14.138 -9.031 828 HB THR 4 HB THR 4 -0.386 12.618 -11.566 829 HG1 THR 4 HG1 THR 4 1.581 13.406 -12.242 830 1HG2 THR 4 1HG2 THR 4 -0.066 15.101 -12.465 831 2HG2 THR 4 2HG2 THR 4 -0.617 15.510 -10.839 832 3HG2 THR 4 3HG2 THR 4 -1.637 14.534 -11.897 833 H GLU 5 H GLU 5 -2.054 11.838 -10.405 834 HA GLU 5 HA GLU 5 -4.409 13.305 -10.070 835 1HB GLU 5 2HB GLU 5 -3.663 10.734 -10.785 836 2HB GLU 5 1HB GLU 5 -4.637 10.473 -9.340 837 1HG GLU 5 2HG GLU 5 -6.312 10.504 -10.938 838 2HG GLU 5 1HG GLU 5 -6.251 12.219 -10.530 839 H LEU 6 H LEU 6 -2.773 11.161 -7.728 840 HA LEU 6 HA LEU 6 -4.632 11.629 -5.573 841 1HB LEU 6 2HB LEU 6 -1.795 10.675 -5.854 842 2HB LEU 6 1HB LEU 6 -2.464 10.953 -4.248 843 HG LEU 6 HG LEU 6 -4.135 9.405 -6.169 844 1HD1 LEU 6 1HD1 LEU 6 -2.511 7.886 -6.554 845 2HD1 LEU 6 2HD1 LEU 6 -2.625 7.469 -4.845 846 3HD1 LEU 6 3HD1 LEU 6 -1.427 8.641 -5.388 847 1HD2 LEU 6 1HD2 LEU 6 -3.497 9.040 -3.224 848 2HD2 LEU 6 2HD2 LEU 6 -4.808 8.274 -4.121 849 3HD2 LEU 6 3HD2 LEU 6 -4.835 10.013 -3.834 850 H ILE 7 H ILE 7 -1.896 13.588 -6.785 851 HA ILE 7 HA ILE 7 -1.521 15.157 -4.419 852 HB ILE 7 HB ILE 7 -0.366 16.686 -5.781 853 1HG1 ILE 7 2HG1 ILE 7 -0.810 16.507 -8.407 854 2HG1 ILE 7 1HG1 ILE 7 -2.401 16.030 -7.842 855 1HG2 ILE 7 1HG2 ILE 7 0.817 15.333 -7.523 856 2HG2 ILE 7 2HG2 ILE 7 -0.322 14.032 -7.190 857 3HG2 ILE 7 3HG2 ILE 7 0.765 14.594 -5.925 858 1HD1 ILE 7 1HD1 ILE 7 -0.992 18.640 -7.530 859 2HD1 ILE 7 2HD1 ILE 7 -2.087 18.132 -6.246 860 3HD1 ILE 7 3HD1 ILE 7 -2.688 18.321 -7.891 861 H LYS 8 H LYS 8 -3.768 15.407 -7.129 862 HA LYS 8 HA LYS 8 -5.113 17.786 -6.189 863 1HB LYS 8 2HB LYS 8 -6.234 15.486 -7.820 864 2HB LYS 8 1HB LYS 8 -6.795 17.155 -7.828 865 1HG LYS 8 2HG LYS 8 -4.678 17.891 -8.820 866 2HG LYS 8 1HG LYS 8 -4.056 16.242 -8.758 867 1HD LYS 8 2HD LYS 8 -6.429 17.216 -10.371 868 2HD LYS 8 1HD LYS 8 -4.880 16.657 -11.003 869 1HE LYS 8 2HE LYS 8 -5.553 14.493 -9.512 870 2HE LYS 8 1HE LYS 8 -7.169 15.068 -9.957 871 1HZ LYS 8 1HZ LYS 8 -4.915 14.388 -11.754 872 2HZ LYS 8 2HZ LYS 8 -6.215 15.351 -12.276 873 3HZ LYS 8 3HZ LYS 8 -6.488 13.756 -11.762 874 H ALA 9 H ALA 9 -5.693 14.294 -5.852 875 HA ALA 9 HA ALA 9 -8.100 14.322 -4.394 876 1HB ALA 9 1HB ALA 9 -5.860 12.474 -3.655 877 2HB ALA 9 2HB ALA 9 -6.440 12.460 -5.321 878 3HB ALA 9 3HB ALA 9 -7.548 12.096 -3.999 879 H ILE 10 H ILE 10 -4.787 14.999 -3.315 880 HA ILE 10 HA ILE 10 -5.707 15.261 -0.526 881 HB ILE 10 HB ILE 10 -3.230 14.731 -2.033 882 1HG1 ILE 10 2HG1 ILE 10 -2.654 13.906 0.403 883 2HG1 ILE 10 1HG1 ILE 10 -4.376 14.171 0.680 884 1HG2 ILE 10 1HG2 ILE 10 -1.816 15.802 -0.154 885 2HG2 ILE 10 2HG2 ILE 10 -3.229 16.806 0.145 886 3HG2 ILE 10 3HG2 ILE 10 -2.428 16.866 -1.421 887 1HD1 ILE 10 1HD1 ILE 10 -3.024 12.113 -0.959 888 2HD1 ILE 10 2HD1 ILE 10 -4.445 12.847 -1.703 889 3HD1 ILE 10 3HD1 ILE 10 -4.582 12.052 -0.135 890 H ALA 11 H ALA 11 -4.726 17.031 -3.393 891 HA ALA 11 HA ALA 11 -4.372 19.640 -2.213 892 1HB ALA 11 1HB ALA 11 -4.525 20.352 -4.500 893 2HB ALA 11 2HB ALA 11 -5.498 18.949 -4.934 894 3HB ALA 11 3HB ALA 11 -3.790 18.752 -4.548 895 H GLN 12 H GLN 12 -7.149 17.703 -3.103 896 HA GLN 12 HA GLN 12 -9.030 19.942 -2.695 897 1HB GLN 12 2HB GLN 12 -9.411 16.962 -3.217 898 2HB GLN 12 1HB GLN 12 -10.692 18.170 -3.277 899 1HG GLN 12 2HG GLN 12 -9.727 19.238 -5.181 900 2HG GLN 12 1HG GLN 12 -8.219 18.345 -5.004 901 1HE2 GLN 12 1HE2 GLN 12 -11.340 18.287 -6.477 902 2HE2 GLN 12 2HE2 GLN 12 -11.266 16.703 -7.083 903 H ASP 13 H ASP 13 -8.092 16.856 -1.172 904 HA ASP 13 HA ASP 13 -9.858 17.105 1.100 905 1HB ASP 13 2HB ASP 13 -7.193 15.721 0.635 906 2HB ASP 13 1HB ASP 13 -8.173 15.489 2.081 907 H THR 14 H THR 14 -6.810 18.481 0.137 908 HA THR 14 HA THR 14 -6.210 19.609 2.787 909 HB THR 14 HB THR 14 -4.363 20.696 1.376 910 HG1 THR 14 HG1 THR 14 -4.423 20.479 -0.659 911 1HG2 THR 14 1HG2 THR 14 -4.758 17.761 1.701 912 2HG2 THR 14 2HG2 THR 14 -3.579 18.821 2.467 913 3HG2 THR 14 3HG2 THR 14 -3.363 18.337 0.791 914 H GLY 15 H GLY 15 -6.179 21.165 -0.402 915 1HA GLY 15 2HA GLY 15 -7.114 23.213 -1.115 916 2HA GLY 15 1HA GLY 15 -8.436 22.898 0.011 917 H LEU 16 H LEU 16 -5.430 22.801 1.540 918 HA LEU 16 HA LEU 16 -5.968 25.284 3.032 919 1HB LEU 16 2HB LEU 16 -3.668 23.296 3.102 920 2HB LEU 16 1HB LEU 16 -3.970 24.546 4.306 921 HG LEU 16 HG LEU 16 -6.396 23.263 4.167 922 1HD1 LEU 16 1HD1 LEU 16 -6.156 21.015 3.812 923 2HD1 LEU 16 2HD1 LEU 16 -4.518 20.987 4.450 924 3HD1 LEU 16 3HD1 LEU 16 -4.810 21.547 2.810 925 1HD2 LEU 16 1HD2 LEU 16 -5.757 23.588 6.345 926 2HD2 LEU 16 2HD2 LEU 16 -4.056 23.303 5.980 927 3HD2 LEU 16 3HD2 LEU 16 -5.147 21.938 6.219 928 H THR 17 H THR 17 -3.041 24.043 1.512 929 HA THR 17 HA THR 17 -2.547 26.698 0.275 930 HB THR 17 HB THR 17 -1.393 25.838 2.599 931 HG1 THR 17 HG1 THR 17 -1.182 27.899 1.666 932 1HG2 THR 17 1HG2 THR 17 -0.289 23.946 1.535 933 2HG2 THR 17 2HG2 THR 17 0.914 25.126 2.038 934 3HG2 THR 17 3HG2 THR 17 0.458 25.009 0.344 935 H GLN 18 H GLN 18 -3.066 23.513 -0.246 936 HA GLN 18 HA GLN 18 -2.462 22.010 -1.959 937 1HB GLN 18 2HB GLN 18 -1.169 24.410 -3.287 938 2HB GLN 18 1HB GLN 18 -1.962 23.039 -4.061 939 1HG GLN 18 2HG GLN 18 -4.077 23.878 -2.748 940 2HG GLN 18 1HG GLN 18 -3.195 25.404 -2.679 941 1HE2 GLN 18 1HE2 GLN 18 -5.667 24.626 -4.294 942 2HE2 GLN 18 2HE2 GLN 18 -5.261 24.998 -5.900 943 H VAL 19 H VAL 19 -0.745 22.860 0.320 944 HA VAL 19 HA VAL 19 1.692 23.181 0.705 945 HB VAL 19 HB VAL 19 0.870 21.465 2.058 946 1HG1 VAL 19 1HG1 VAL 19 0.086 19.260 1.181 947 2HG1 VAL 19 2HG1 VAL 19 0.326 19.877 -0.452 948 3HG1 VAL 19 3HG1 VAL 19 -0.860 20.633 0.609 949 1HG2 VAL 19 1HG2 VAL 19 2.733 20.241 2.305 950 2HG2 VAL 19 2HG2 VAL 19 3.286 20.794 0.726 951 3HG2 VAL 19 3HG2 VAL 19 2.352 19.306 0.863 952 H SER 20 H SER 20 2.141 20.186 -0.777 953 HA SER 20 HA SER 20 3.425 21.326 -3.153 954 1HB SER 20 2HB SER 20 4.692 20.302 -0.817 955 2HB SER 20 1HB SER 20 4.882 19.083 -2.067 956 HG SER 20 HG SER 20 5.459 21.081 -3.397 957 H VAL 21 H VAL 21 0.878 19.878 -2.323 958 HA VAL 21 HA VAL 21 0.217 17.420 -2.574 959 HB VAL 21 HB VAL 21 -1.318 17.944 -4.454 960 1HG1 VAL 21 1HG1 VAL 21 -1.175 19.140 -1.964 961 2HG1 VAL 21 2HG1 VAL 21 -2.558 19.218 -3.055 962 3HG1 VAL 21 3HG1 VAL 21 -1.364 20.515 -3.054 963 1HG2 VAL 21 1HG2 VAL 21 0.483 20.361 -4.707 964 2HG2 VAL 21 2HG2 VAL 21 -1.125 20.279 -5.424 965 3HG2 VAL 21 3HG2 VAL 21 0.130 19.157 -5.946 966 H SER 22 H SER 22 2.037 18.983 -5.069 967 HA SER 22 HA SER 22 2.405 16.523 -6.677 968 1HB SER 22 2HB SER 22 2.350 18.617 -7.851 969 2HB SER 22 1HB SER 22 3.482 19.356 -6.722 970 HG SER 22 HG SER 22 5.094 18.459 -7.756 971 H LYS 23 H LYS 23 4.384 18.627 -4.601 972 HA LYS 23 HA LYS 23 6.631 16.753 -4.580 973 1HB LYS 23 2HB LYS 23 6.187 19.493 -4.261 974 2HB LYS 23 1HB LYS 23 6.609 18.931 -2.646 975 1HG LYS 23 2HG LYS 23 8.458 17.600 -4.067 976 2HG LYS 23 1HG LYS 23 8.244 19.006 -5.110 977 1HD LYS 23 2HD LYS 23 10.039 19.316 -3.369 978 2HD LYS 23 1HD LYS 23 8.755 20.519 -3.282 979 1HE LYS 23 2HE LYS 23 8.154 19.852 -1.190 980 2HE LYS 23 1HE LYS 23 8.170 18.140 -1.658 981 1HZ LYS 23 1HZ LYS 23 10.515 19.838 -0.984 982 2HZ LYS 23 2HZ LYS 23 10.641 18.287 -1.667 983 3HZ LYS 23 3HZ LYS 23 9.952 18.487 -0.126 984 H MET 24 H MET 24 3.795 17.498 -2.578 985 HA MET 24 HA MET 24 4.769 16.414 -0.132 986 1HB MET 24 2HB MET 24 2.912 18.001 -0.479 987 2HB MET 24 1HB MET 24 2.030 16.776 -1.373 988 1HG MET 24 2HG MET 24 3.010 16.174 1.368 989 2HG MET 24 1HG MET 24 1.565 17.159 1.171 990 1HE MET 24 1HE MET 24 1.138 15.324 -1.933 991 2HE MET 24 2HE MET 24 0.172 16.493 -1.034 992 3HE MET 24 3HE MET 24 -0.450 14.870 -1.303 993 H LEU 25 H LEU 25 2.855 15.101 -2.895 994 HA LEU 25 HA LEU 25 2.781 12.419 -1.776 995 1HB LEU 25 2HB LEU 25 2.120 13.794 -4.344 996 2HB LEU 25 1HB LEU 25 2.354 12.044 -4.401 997 HG LEU 25 HG LEU 25 0.481 13.497 -2.518 998 1HD1 LEU 25 1HD1 LEU 25 -0.322 13.523 -4.837 999 2HD1 LEU 25 2HD1 LEU 25 -1.302 12.437 -3.861 1000 3HD1 LEU 25 3HD1 LEU 25 -0.083 11.782 -4.953 1001 1HD2 LEU 25 1HD2 LEU 25 -0.317 10.951 -2.393 1002 2HD2 LEU 25 2HD2 LEU 25 0.969 11.557 -1.351 1003 3HD2 LEU 25 3HD2 LEU 25 1.369 10.656 -2.814 1004 H ALA 26 H ALA 26 4.902 14.266 -3.919 1005 HA ALA 26 HA ALA 26 6.625 12.124 -4.770 1006 1HB ALA 26 1HB ALA 26 8.096 13.936 -5.385 1007 2HB ALA 26 2HB ALA 26 7.381 15.003 -4.178 1008 3HB ALA 26 3HB ALA 26 6.457 14.545 -5.608 1009 H SER 27 H SER 27 6.412 14.162 -1.910 1010 HA SER 27 HA SER 27 8.858 13.166 -0.654 1011 1HB SER 27 2HB SER 27 8.356 15.162 0.348 1012 2HB SER 27 1HB SER 27 6.680 15.084 -0.177 1013 HG SER 27 HG SER 27 7.759 13.559 1.961 1014 H PHE 28 H PHE 28 5.379 12.593 -0.481 1015 HA PHE 28 HA PHE 28 5.212 10.716 1.630 1016 1HB PHE 28 2HB PHE 28 3.175 11.412 0.759 1017 2HB PHE 28 1HB PHE 28 3.778 11.414 -0.888 1018 HD1 PHE 28 HD1 PHE 28 4.116 9.107 -2.070 1019 HD2 PHE 28 HD2 PHE 28 1.904 9.617 1.578 1020 HE1 PHE 28 HE1 PHE 28 2.921 7.010 -2.482 1021 HE2 PHE 28 HE2 PHE 28 0.710 7.517 1.158 1022 HZ PHE 28 HZ PHE 28 1.221 6.187 -0.875 1023 H GLU 29 H GLU 29 5.921 10.194 -1.832 1024 HA GLU 29 HA GLU 29 6.363 7.358 -1.528 1025 1HB GLU 29 2HB GLU 29 5.891 8.718 -3.633 1026 2HB GLU 29 1HB GLU 29 7.575 9.247 -3.553 1027 1HG GLU 29 2HG GLU 29 7.597 6.460 -3.130 1028 2HG GLU 29 1HG GLU 29 6.512 6.755 -4.482 1029 H LYS 30 H LYS 30 8.295 10.284 -1.354 1030 HA LYS 30 HA LYS 30 10.867 9.038 -1.117 1031 1HB LYS 30 2HB LYS 30 10.397 11.454 -1.629 1032 2HB LYS 30 1HB LYS 30 9.873 11.662 0.044 1033 1HG LYS 30 2HG LYS 30 12.034 11.171 0.899 1034 2HG LYS 30 1HG LYS 30 12.583 10.529 -0.650 1035 1HD LYS 30 2HD LYS 30 11.676 13.395 -0.409 1036 2HD LYS 30 1HD LYS 30 13.326 12.933 0.013 1037 1HE LYS 30 2HE LYS 30 13.045 11.659 -2.393 1038 2HE LYS 30 1HE LYS 30 12.057 13.111 -2.652 1039 1HZ LYS 30 1HZ LYS 30 14.339 13.634 -3.139 1040 2HZ LYS 30 2HZ LYS 30 14.849 13.025 -1.637 1041 3HZ LYS 30 3HZ LYS 30 13.895 14.429 -1.709 1042 H ILE 31 H ILE 31 8.179 9.448 1.085 1043 HA ILE 31 HA ILE 31 9.952 8.556 3.306 1044 HB ILE 31 HB ILE 31 7.851 9.174 4.641 1045 1HG1 ILE 31 2HG1 ILE 31 7.111 11.328 2.965 1046 2HG1 ILE 31 1HG1 ILE 31 6.947 9.836 2.050 1047 1HG2 ILE 31 1HG2 ILE 31 8.631 11.632 4.502 1048 2HG2 ILE 31 2HG2 ILE 31 9.773 11.044 3.293 1049 3HG2 ILE 31 3HG2 ILE 31 9.831 10.417 4.939 1050 1HD1 ILE 31 1HD1 ILE 31 6.020 9.543 4.795 1051 2HD1 ILE 31 2HD1 ILE 31 5.209 9.126 3.288 1052 3HD1 ILE 31 3HD1 ILE 31 5.126 10.775 3.906 1053 H ILE 32 H ILE 32 7.241 7.709 1.348 1054 HA ILE 32 HA ILE 32 6.428 5.393 2.906 1055 HB ILE 32 HB ILE 32 6.092 6.119 -0.037 1056 1HG1 ILE 32 2HG1 ILE 32 5.023 7.400 2.200 1057 2HG1 ILE 32 1HG1 ILE 32 4.362 7.468 0.568 1058 1HG2 ILE 32 1HG2 ILE 32 4.787 4.002 1.698 1059 2HG2 ILE 32 2HG2 ILE 32 5.727 3.763 0.225 1060 3HG2 ILE 32 3HG2 ILE 32 4.132 4.512 0.143 1061 1HD1 ILE 32 1HD1 ILE 32 3.635 5.330 2.576 1062 2HD1 ILE 32 2HD1 ILE 32 2.869 5.639 1.017 1063 3HD1 ILE 32 3HD1 ILE 32 2.697 6.803 2.331 1064 H THR 33 H THR 33 8.014 5.770 -0.236 1065 HA THR 33 HA THR 33 9.004 3.105 -0.263 1066 HB THR 33 HB THR 33 8.895 5.462 -1.927 1067 HG1 THR 33 HG1 THR 33 8.964 3.894 -3.525 1068 1HG2 THR 33 1HG2 THR 33 10.993 5.131 -3.168 1069 2HG2 THR 33 2HG2 THR 33 11.517 3.963 -1.954 1070 3HG2 THR 33 3HG2 THR 33 11.294 5.656 -1.512 1071 H GLU 34 H GLU 34 10.314 6.242 0.802 1072 HA GLU 34 HA GLU 34 12.982 5.171 1.260 1073 1HB GLU 34 2HB GLU 34 11.489 7.668 2.035 1074 2HB GLU 34 1HB GLU 34 13.207 7.438 2.341 1075 1HG GLU 34 2HG GLU 34 11.938 7.196 -0.415 1076 2HG GLU 34 1HG GLU 34 12.747 8.653 0.164 1077 H THR 35 H THR 35 10.100 5.774 3.431 1078 HA THR 35 HA THR 35 11.579 5.280 5.856 1079 HB THR 35 HB THR 35 8.665 4.783 5.195 1080 HG1 THR 35 HG1 THR 35 10.047 6.870 6.539 1081 1HG2 THR 35 1HG2 THR 35 9.381 3.408 7.091 1082 2HG2 THR 35 2HG2 THR 35 8.410 4.754 7.685 1083 3HG2 THR 35 3HG2 THR 35 10.166 4.803 7.831 1084 H VAL 36 H VAL 36 9.644 3.049 3.829 1085 HA VAL 36 HA VAL 36 10.182 0.677 5.289 1086 HB VAL 36 HB VAL 36 9.647 1.455 2.446 1087 1HG1 VAL 36 1HG1 VAL 36 10.575 -1.291 3.325 1088 2HG1 VAL 36 2HG1 VAL 36 11.320 -0.262 2.102 1089 3HG1 VAL 36 3HG1 VAL 36 9.741 -0.985 1.804 1090 1HG2 VAL 36 1HG2 VAL 36 8.367 -0.225 4.592 1091 2HG2 VAL 36 2HG2 VAL 36 7.838 -0.346 2.914 1092 3HG2 VAL 36 3HG2 VAL 36 7.718 1.192 3.768 1093 H ALA 37 H ALA 37 12.043 2.355 2.784 1094 HA ALA 37 HA ALA 37 14.325 0.526 3.081 1095 1HB ALA 37 1HB ALA 37 13.546 2.882 1.410 1096 2HB ALA 37 2HB ALA 37 13.962 1.246 0.910 1097 3HB ALA 37 3HB ALA 37 15.226 2.353 1.448 1098 H LYS 38 H LYS 38 13.138 3.017 4.898 1099 HA LYS 38 HA LYS 38 15.802 4.188 5.565 1100 1HB LYS 38 2HB LYS 38 13.472 5.444 5.260 1101 2HB LYS 38 1HB LYS 38 13.211 4.903 6.915 1102 1HG LYS 38 2HG LYS 38 14.206 7.092 7.029 1103 2HG LYS 38 1HG LYS 38 15.445 5.931 7.502 1104 1HD LYS 38 2HD LYS 38 16.341 7.615 5.922 1105 2HD LYS 38 1HD LYS 38 16.392 5.994 5.231 1106 1HE LYS 38 2HE LYS 38 14.536 6.419 3.804 1107 2HE LYS 38 1HE LYS 38 14.060 7.861 4.724 1108 1HZ LYS 38 1HZ LYS 38 15.370 8.291 2.627 1109 2HZ LYS 38 2HZ LYS 38 16.707 7.601 3.415 1110 3HZ LYS 38 3HZ LYS 38 15.983 9.006 4.037 1111 H GLY 39 H GLY 39 13.194 2.186 6.752 1112 1HA GLY 39 2HA GLY 39 14.220 0.337 8.181 1113 2HA GLY 39 1HA GLY 39 14.791 1.663 9.186 1114 H ASP 40 H ASP 40 11.579 1.587 7.649 1115 HA ASP 40 HA ASP 40 10.379 0.924 10.300 1116 1HB ASP 40 2HB ASP 40 10.670 3.546 9.167 1117 2HB ASP 40 1HB ASP 40 8.954 3.143 9.225 1118 H LYS 41 H LYS 41 8.096 0.362 10.125 1119 HA LYS 41 HA LYS 41 7.368 -0.646 7.416 1120 1HB LYS 41 2HB LYS 41 6.572 -1.351 10.256 1121 2HB LYS 41 1HB LYS 41 5.784 -2.052 8.842 1122 1HG LYS 41 2HG LYS 41 7.435 -3.572 8.704 1123 2HG LYS 41 1HG LYS 41 8.585 -2.267 8.410 1124 1HD LYS 41 2HD LYS 41 9.060 -2.030 10.738 1125 2HD LYS 41 1HD LYS 41 7.688 -3.041 11.192 1126 1HE LYS 41 2HE LYS 41 9.541 -4.510 11.390 1127 2HE LYS 41 1HE LYS 41 8.899 -4.890 9.779 1128 1HZ LYS 41 1HZ LYS 41 11.050 -2.922 10.365 1129 2HZ LYS 41 2HZ LYS 41 10.423 -3.275 8.826 1130 3HZ LYS 41 3HZ LYS 41 11.286 -4.458 9.688 1131 H VAL 42 H VAL 42 6.311 1.116 6.495 1132 HA VAL 42 HA VAL 42 4.607 2.980 7.799 1133 HB VAL 42 HB VAL 42 4.547 1.912 4.956 1134 1HG1 VAL 42 1HG1 VAL 42 3.819 4.456 4.686 1135 2HG1 VAL 42 2HG1 VAL 42 3.260 4.232 6.344 1136 3HG1 VAL 42 3HG1 VAL 42 2.629 3.208 5.054 1137 1HG2 VAL 42 1HG2 VAL 42 5.909 4.142 4.680 1138 2HG2 VAL 42 2HG2 VAL 42 6.736 2.691 5.247 1139 3HG2 VAL 42 3HG2 VAL 42 6.245 3.933 6.398 1140 H GLN 43 H GLN 43 2.465 2.874 8.421 1141 HA GLN 43 HA GLN 43 0.907 0.421 7.653 1142 1HB GLN 43 2HB GLN 43 0.783 1.879 10.305 1143 2HB GLN 43 1HB GLN 43 0.159 0.274 9.930 1144 1HG GLN 43 2HG GLN 43 2.736 -0.131 9.300 1145 2HG GLN 43 1HG GLN 43 2.950 1.142 10.502 1146 1HE2 GLN 43 1HE2 GLN 43 3.606 -1.786 10.763 1147 2HE2 GLN 43 2HE2 GLN 43 2.721 -2.328 12.105 1148 H LEU 44 H LEU 44 -0.378 1.507 6.085 1149 HA LEU 44 HA LEU 44 -1.488 4.133 6.486 1150 1HB LEU 44 2HB LEU 44 -1.746 1.831 4.624 1151 2HB LEU 44 1HB LEU 44 -3.059 3.003 4.621 1152 HG LEU 44 HG LEU 44 -0.140 3.760 4.380 1153 1HD1 LEU 44 1HD1 LEU 44 -0.497 2.648 2.353 1154 2HD1 LEU 44 2HD1 LEU 44 -0.999 4.287 1.945 1155 3HD1 LEU 44 3HD1 LEU 44 -2.207 3.061 2.311 1156 1HD2 LEU 44 1HD2 LEU 44 -1.316 5.857 3.433 1157 2HD2 LEU 44 2HD2 LEU 44 -1.394 5.605 5.176 1158 3HD2 LEU 44 3HD2 LEU 44 -2.782 5.205 4.164 1159 H THR 45 H THR 45 -2.715 4.336 8.350 1160 HA THR 45 HA THR 45 -4.369 3.781 9.979 1161 HB THR 45 HB THR 45 -5.607 5.224 8.651 1162 HG1 THR 45 HG1 THR 45 -7.586 4.334 8.504 1163 1HG2 THR 45 1HG2 THR 45 -6.311 4.703 6.323 1164 2HG2 THR 45 2HG2 THR 45 -5.476 3.159 6.431 1165 3HG2 THR 45 3HG2 THR 45 -4.560 4.661 6.505 1166 H GLY 46 H GLY 46 -6.219 1.995 7.591 1167 1HA GLY 46 2HA GLY 46 -5.379 -0.578 8.788 1168 2HA GLY 46 1HA GLY 46 -7.076 -0.121 8.930 1169 H PHE 47 H PHE 47 -5.142 0.652 6.056 1170 HA PHE 47 HA PHE 47 -6.560 -1.538 4.624 1171 1HB PHE 47 2HB PHE 47 -7.522 -0.109 3.074 1172 2HB PHE 47 1HB PHE 47 -7.592 0.870 4.535 1173 HD1 PHE 47 HD1 PHE 47 -6.034 0.461 1.240 1174 HD2 PHE 47 HD2 PHE 47 -6.002 2.672 4.905 1175 HE1 PHE 47 HE1 PHE 47 -4.626 2.199 0.187 1176 HE2 PHE 47 HE2 PHE 47 -4.601 4.411 3.858 1177 HZ PHE 47 HZ PHE 47 -3.911 4.161 1.513 1178 H LEU 48 H LEU 48 -3.604 0.307 4.972 1179 HA LEU 48 HA LEU 48 -2.485 -1.478 2.870 1180 1HB LEU 48 2HB LEU 48 -2.618 1.438 2.963 1181 2HB LEU 48 1HB LEU 48 -1.009 0.814 2.604 1182 HG LEU 48 HG LEU 48 -3.577 0.375 1.087 1183 1HD1 LEU 48 1HD1 LEU 48 -2.360 2.246 0.306 1184 2HD1 LEU 48 2HD1 LEU 48 -1.955 0.939 -0.808 1185 3HD1 LEU 48 3HD1 LEU 48 -0.819 1.404 0.458 1186 1HD2 LEU 48 1HD2 LEU 48 -1.844 -1.154 -0.300 1187 2HD2 LEU 48 2HD2 LEU 48 -2.888 -1.819 0.954 1188 3HD2 LEU 48 3HD2 LEU 48 -1.211 -1.421 1.324 1189 H ASN 49 H ASN 49 -0.933 -2.709 3.742 1190 HA ASN 49 HA ASN 49 0.648 -1.626 6.056 1191 1HB ASN 49 2HB ASN 49 -0.665 -4.205 5.379 1192 2HB ASN 49 1HB ASN 49 0.897 -4.330 6.188 1193 1HD2 ASN 49 1HD2 ASN 49 1.033 -2.572 8.130 1194 2HD2 ASN 49 2HD2 ASN 49 -0.326 -2.557 9.146 1195 H ILE 50 H ILE 50 2.427 -0.792 4.797 1196 HA ILE 50 HA ILE 50 3.831 -2.582 2.889 1197 HB ILE 50 HB ILE 50 4.546 0.187 3.902 1198 1HG1 ILE 50 2HG1 ILE 50 2.241 0.207 3.030 1199 2HG1 ILE 50 1HG1 ILE 50 3.326 1.056 1.930 1200 1HG2 ILE 50 1HG2 ILE 50 6.163 -1.335 2.526 1201 2HG2 ILE 50 2HG2 ILE 50 5.955 0.348 2.041 1202 3HG2 ILE 50 3HG2 ILE 50 5.113 -0.931 1.168 1203 1HD1 ILE 50 1HD1 ILE 50 3.404 -0.817 0.429 1204 2HD1 ILE 50 2HD1 ILE 50 1.704 -0.547 0.816 1205 3HD1 ILE 50 3HD1 ILE 50 2.589 -1.857 1.595 1206 H LYS 51 H LYS 51 5.892 -3.576 3.376 1207 HA LYS 51 HA LYS 51 7.333 -2.728 5.803 1208 1HB LYS 51 2HB LYS 51 7.043 -5.034 6.845 1209 2HB LYS 51 1HB LYS 51 5.602 -4.019 6.842 1210 1HG LYS 51 2HG LYS 51 4.525 -5.313 5.268 1211 2HG LYS 51 1HG LYS 51 6.027 -5.803 4.486 1212 1HD LYS 51 2HD LYS 51 6.249 -6.880 7.040 1213 2HD LYS 51 1HD LYS 51 4.547 -7.111 6.642 1214 1HE LYS 51 2HE LYS 51 5.131 -8.266 4.574 1215 2HE LYS 51 1HE LYS 51 6.854 -7.930 4.839 1216 1HZ LYS 51 1HZ LYS 51 5.058 -9.533 6.580 1217 2HZ LYS 51 2HZ LYS 51 6.633 -9.068 7.015 1218 3HZ LYS 51 3HZ LYS 51 6.385 -10.102 5.689 1219 HA PRO 52 HA PRO 52 10.422 -4.529 3.135 1220 1HB PRO 52 2HB PRO 52 12.595 -3.836 4.626 1221 2HB PRO 52 1HB PRO 52 11.724 -2.678 3.604 1222 1HG PRO 52 2HG PRO 52 11.624 -3.059 6.542 1223 2HG PRO 52 1HG PRO 52 11.497 -1.575 5.589 1224 1HD PRO 52 2HD PRO 52 9.364 -2.905 6.723 1225 2HD PRO 52 1HD PRO 52 9.246 -1.778 5.357 1226 H VAL 53 H VAL 53 11.560 -6.463 3.157 1227 HA VAL 53 HA VAL 53 12.229 -7.828 5.664 1228 HB VAL 53 HB VAL 53 10.809 -9.813 4.937 1229 1HG1 VAL 53 1HG1 VAL 53 10.192 -7.989 6.667 1230 2HG1 VAL 53 2HG1 VAL 53 8.881 -8.984 6.035 1231 3HG1 VAL 53 3HG1 VAL 53 9.127 -7.353 5.414 1232 1HG2 VAL 53 1HG2 VAL 53 9.300 -9.632 3.180 1233 2HG2 VAL 53 2HG2 VAL 53 10.582 -8.593 2.566 1234 3HG2 VAL 53 3HG2 VAL 53 9.169 -7.881 3.340 1235 H ALA 54 H ALA 54 14.211 -8.703 5.249 1236 HA ALA 54 HA ALA 54 15.225 -8.935 2.580 1237 1HB ALA 54 1HB ALA 54 16.695 -8.455 4.436 1238 2HB ALA 54 2HB ALA 54 17.182 -9.998 3.738 1239 3HB ALA 54 3HB ALA 54 16.250 -9.963 5.231 1240 H ARG 55 H ARG 55 15.005 -10.424 1.130 1241 HA ARG 55 HA ARG 55 15.120 -13.242 1.499 1242 1HB ARG 55 2HB ARG 55 13.046 -12.783 2.850 1243 2HB ARG 55 1HB ARG 55 12.281 -12.168 1.387 1244 1HG ARG 55 2HG ARG 55 13.288 -14.622 0.579 1245 2HG ARG 55 1HG ARG 55 12.745 -14.938 2.227 1246 1HD ARG 55 2HD ARG 55 10.623 -13.510 1.346 1247 2HD ARG 55 1HD ARG 55 11.143 -14.244 -0.185 1248 HE ARG 55 HE ARG 55 11.272 -16.394 1.442 1249 1HH1 ARG 55 1HH1 ARG 55 9.349 -14.370 3.005 1250 2HH1 ARG 55 2HH1 ARG 55 7.839 -15.158 2.689 1251 1HH2 ARG 55 1HH2 ARG 55 9.131 -17.227 0.225 1252 2HH2 ARG 55 2HH2 ARG 55 7.716 -16.775 1.115 1253 H GLN 56 H GLN 56 15.887 -11.241 -0.439 1254 HA GLN 56 HA GLN 56 14.344 -12.171 -2.840 1255 1HB GLN 56 2HB GLN 56 15.778 -9.555 -2.301 1256 2HB GLN 56 1HB GLN 56 14.881 -9.949 -3.769 1257 1HG GLN 56 2HG GLN 56 13.350 -10.382 -1.289 1258 2HG GLN 56 1HG GLN 56 13.801 -8.701 -1.563 1259 1HE2 GLN 56 1HE2 GLN 56 13.675 -8.521 -4.366 1260 2HE2 GLN 56 2HE2 GLN 56 12.088 -8.823 -4.886 1261 H ALA 57 H ALA 57 15.785 -13.883 -3.407 1262 HA ALA 57 HA ALA 57 18.498 -12.950 -4.248 1263 1HB ALA 57 1HB ALA 57 18.187 -15.668 -3.087 1264 2HB ALA 57 2HB ALA 57 18.052 -14.308 -1.972 1265 3HB ALA 57 3HB ALA 57 19.518 -14.521 -2.929 1266 H ARG 58 H ARG 58 19.530 -14.526 -5.758 1267 HA ARG 58 HA ARG 58 17.560 -15.540 -7.721 1268 1HB ARG 58 2HB ARG 58 20.389 -14.599 -7.597 1269 2HB ARG 58 1HB ARG 58 19.958 -15.701 -8.899 1270 1HG ARG 58 2HG ARG 58 19.717 -13.297 -9.523 1271 2HG ARG 58 1HG ARG 58 18.211 -14.200 -9.656 1272 1HD ARG 58 2HD ARG 58 17.198 -12.944 -8.042 1273 2HD ARG 58 1HD ARG 58 18.634 -12.966 -7.005 1274 HE ARG 58 HE ARG 58 19.325 -10.946 -8.013 1275 1HH1 ARG 58 1HH1 ARG 58 16.287 -10.869 -8.811 1276 2HH1 ARG 58 2HH1 ARG 58 16.439 -10.352 -10.457 1277 1HH2 ARG 58 1HH2 ARG 58 19.838 -11.016 -10.629 1278 2HH2 ARG 58 2HH2 ARG 58 18.450 -10.435 -11.488 1279 H LYS 59 H LYS 59 17.883 -17.662 -8.673 1280 HA LYS 59 HA LYS 59 19.832 -19.574 -7.807 1281 1HB LYS 59 2HB LYS 59 18.627 -19.263 -5.662 1282 2HB LYS 59 1HB LYS 59 17.114 -19.698 -6.454 1283 1HG LYS 59 2HG LYS 59 17.555 -21.859 -5.995 1284 2HG LYS 59 1HG LYS 59 18.939 -21.763 -7.085 1285 1HD LYS 59 2HD LYS 59 19.715 -22.520 -4.909 1286 2HD LYS 59 1HD LYS 59 20.311 -20.883 -5.183 1287 1HE LYS 59 2HE LYS 59 18.091 -20.165 -3.953 1288 2HE LYS 59 1HE LYS 59 18.157 -21.817 -3.305 1289 1HZ LYS 59 1HZ LYS 59 19.431 -20.222 -1.947 1290 2HZ LYS 59 2HZ LYS 59 20.428 -19.900 -3.284 1291 3HZ LYS 59 3HZ LYS 59 20.407 -21.451 -2.589 1292 H GLY 60 H GLY 60 18.553 -18.762 -10.250 1293 1HA GLY 60 2HA GLY 60 16.892 -21.143 -10.949 1294 2HA GLY 60 1HA GLY 60 16.896 -19.624 -11.848 1295 H PHE 61 H PHE 61 18.226 -19.494 -13.608 1296 HA PHE 61 HA PHE 61 20.805 -20.712 -13.807 1297 1HB PHE 61 2HB PHE 61 20.018 -22.487 -15.542 1298 2HB PHE 61 1HB PHE 61 19.747 -22.832 -13.833 1299 HD1 PHE 61 HD1 PHE 61 17.591 -23.262 -13.048 1300 HD2 PHE 61 HD2 PHE 61 18.093 -21.284 -16.821 1301 HE1 PHE 61 HE1 PHE 61 15.165 -23.434 -13.458 1302 HE2 PHE 61 HE2 PHE 61 15.675 -21.467 -17.229 1303 HZ PHE 61 HZ PHE 61 14.193 -22.537 -15.551 1304 H ASN 62 H ASN 62 21.516 -20.742 -16.260 1305 HA ASN 62 HA ASN 62 20.306 -18.331 -17.533 1306 1HB ASN 62 2HB ASN 62 22.524 -17.863 -17.126 1307 2HB ASN 62 1HB ASN 62 23.027 -19.538 -17.323 1308 1HD2 ASN 62 1HD2 ASN 62 24.573 -19.356 -18.999 1309 2HD2 ASN 62 2HD2 ASN 62 24.243 -18.681 -20.522 1310 HA PRO 63 HA PRO 63 20.954 -21.185 -21.323 1311 1HB PRO 63 2HB PRO 63 21.737 -23.777 -20.889 1312 2HB PRO 63 1HB PRO 63 22.882 -22.448 -21.163 1313 1HG PRO 63 2HG PRO 63 22.024 -23.707 -18.600 1314 2HG PRO 63 1HG PRO 63 23.637 -23.186 -19.117 1315 1HD PRO 63 2HD PRO 63 22.112 -21.725 -17.435 1316 2HD PRO 63 1HD PRO 63 23.243 -20.980 -18.584 1317 H GLN 64 H GLN 64 18.661 -20.784 -20.194 1318 HA GLN 64 HA GLN 64 16.961 -23.000 -20.851 1319 1HB GLN 64 2HB GLN 64 18.091 -22.796 -18.156 1320 2HB GLN 64 1HB GLN 64 16.333 -22.907 -18.171 1321 1HG GLN 64 2HG GLN 64 17.552 -24.768 -20.057 1322 2HG GLN 64 1HG GLN 64 18.096 -25.047 -18.402 1323 1HE2 GLN 64 1HE2 GLN 64 16.054 -24.801 -16.760 1324 2HE2 GLN 64 2HE2 GLN 64 14.681 -25.675 -17.238 1325 H THR 65 H THR 65 17.246 -20.097 -21.233 1326 HA THR 65 HA THR 65 15.892 -18.178 -21.345 1327 HB THR 65 HB THR 65 13.641 -18.669 -21.817 1328 HG1 THR 65 HG1 THR 65 13.010 -19.468 -19.845 1329 1HG2 THR 65 1HG2 THR 65 13.762 -20.474 -23.259 1330 2HG2 THR 65 2HG2 THR 65 14.610 -21.484 -22.090 1331 3HG2 THR 65 3HG2 THR 65 15.480 -20.216 -22.953 1332 H GLN 66 H GLN 66 17.128 -18.247 -18.897 1333 HA GLN 66 HA GLN 66 15.035 -17.113 -17.150 1334 1HB GLN 66 2HB GLN 66 15.978 -19.748 -16.924 1335 2HB GLN 66 1HB GLN 66 16.670 -18.872 -15.570 1336 1HG GLN 66 2HG GLN 66 14.688 -18.994 -14.518 1337 2HG GLN 66 1HG GLN 66 13.995 -17.981 -15.780 1338 1HE2 GLN 66 1HE2 GLN 66 14.409 -20.078 -17.912 1339 2HE2 GLN 66 2HE2 GLN 66 13.248 -21.272 -17.603 1340 H GLU 67 H GLU 67 18.011 -18.077 -15.671 1341 HA GLU 67 HA GLU 67 19.820 -16.018 -16.300 1342 1HB GLU 67 2HB GLU 67 19.259 -14.507 -14.271 1343 2HB GLU 67 1HB GLU 67 18.204 -14.369 -15.674 1344 1HG GLU 67 2HG GLU 67 16.455 -15.512 -14.638 1345 2HG GLU 67 1HG GLU 67 17.529 -16.348 -13.519 1346 H ALA 68 H ALA 68 21.303 -17.684 -15.699 1347 HA ALA 68 HA ALA 68 21.140 -19.104 -13.187 1348 1HB ALA 68 1HB ALA 68 23.002 -18.845 -15.481 1349 2HB ALA 68 2HB ALA 68 22.365 -20.298 -14.717 1350 3HB ALA 68 3HB ALA 68 23.702 -19.426 -13.975 1351 H LEU 69 H LEU 69 21.028 -17.670 -11.535 1352 HA LEU 69 HA LEU 69 23.583 -16.266 -10.863 1353 1HB LEU 69 2HB LEU 69 20.933 -14.908 -10.400 1354 2HB LEU 69 1HB LEU 69 22.526 -14.183 -10.583 1355 HG LEU 69 HG LEU 69 21.052 -15.571 -12.837 1356 1HD1 LEU 69 1HD1 LEU 69 20.884 -13.070 -13.606 1357 2HD1 LEU 69 2HD1 LEU 69 21.016 -12.735 -11.880 1358 3HD1 LEU 69 3HD1 LEU 69 19.689 -13.726 -12.488 1359 1HD2 LEU 69 1HD2 LEU 69 23.725 -14.884 -12.578 1360 2HD2 LEU 69 2HD2 LEU 69 23.044 -13.511 -13.451 1361 3HD2 LEU 69 3HD2 LEU 69 22.878 -15.142 -14.104 1362 H GLU 70 H GLU 70 23.801 -15.892 -8.546 1363 HA GLU 70 HA GLU 70 21.758 -17.190 -6.797 1364 1HB GLU 70 2HB GLU 70 23.927 -18.553 -7.723 1365 2HB GLU 70 1HB GLU 70 24.607 -17.838 -6.261 1366 1HG GLU 70 2HG GLU 70 23.079 -18.929 -4.860 1367 2HG GLU 70 1HG GLU 70 21.923 -19.193 -6.165 1368 H ILE 71 H ILE 71 22.112 -14.452 -6.933 1369 HA ILE 71 HA ILE 71 24.103 -13.302 -5.250 1370 HB ILE 71 HB ILE 71 22.584 -11.386 -5.293 1371 1HG1 ILE 71 2HG1 ILE 71 20.446 -12.824 -6.735 1372 2HG1 ILE 71 1HG1 ILE 71 20.571 -13.195 -5.017 1373 1HG2 ILE 71 1HG2 ILE 71 23.768 -12.370 -7.430 1374 2HG2 ILE 71 2HG2 ILE 71 22.624 -11.038 -7.586 1375 3HG2 ILE 71 3HG2 ILE 71 22.112 -12.687 -7.945 1376 1HD1 ILE 71 1HD1 ILE 71 20.018 -11.059 -4.366 1377 2HD1 ILE 71 2HD1 ILE 71 19.149 -11.108 -5.900 1378 3HD1 ILE 71 3HD1 ILE 71 20.727 -10.326 -5.805 1379 H ALA 72 H ALA 72 22.399 -11.862 -3.401 1380 HA ALA 72 HA ALA 72 21.620 -14.045 -1.514 1381 1HB ALA 72 1HB ALA 72 22.669 -12.229 0.140 1382 2HB ALA 72 2HB ALA 72 23.567 -11.797 -1.316 1383 3HB ALA 72 3HB ALA 72 23.675 -13.433 -0.665 1384 HA PRO 73 HA PRO 73 18.119 -11.361 -0.963 1385 1HB PRO 73 2HB PRO 73 16.928 -12.759 1.039 1386 2HB PRO 73 1HB PRO 73 16.883 -13.283 -0.655 1387 1HG PRO 73 2HG PRO 73 18.481 -14.330 1.600 1388 2HG PRO 73 1HG PRO 73 17.873 -15.164 0.164 1389 1HD PRO 73 2HD PRO 73 20.497 -14.272 0.561 1390 2HD PRO 73 1HD PRO 73 19.788 -14.775 -0.984 1391 H SER 74 H SER 74 18.004 -9.535 0.323 1392 HA SER 74 HA SER 74 18.856 -9.666 3.132 1393 1HB SER 74 2HB SER 74 20.171 -7.595 1.487 1394 2HB SER 74 1HB SER 74 20.772 -8.435 2.891 1395 HG SER 74 HG SER 74 21.634 -8.971 0.678 1396 H VAL 75 H VAL 75 16.504 -8.781 1.381 1397 HA VAL 75 HA VAL 75 15.149 -7.113 3.082 1398 HB VAL 75 HB VAL 75 17.240 -5.610 1.724 1399 1HG1 VAL 75 1HG1 VAL 75 15.255 -4.992 0.279 1400 2HG1 VAL 75 2HG1 VAL 75 15.980 -3.640 1.144 1401 3HG1 VAL 75 3HG1 VAL 75 14.487 -4.366 1.738 1402 1HG2 VAL 75 1HG2 VAL 75 16.701 -5.760 4.202 1403 2HG2 VAL 75 2HG2 VAL 75 15.302 -4.747 3.865 1404 3HG2 VAL 75 3HG2 VAL 75 16.929 -4.126 3.580 1405 H GLY 76 H GLY 76 13.143 -6.623 2.322 1406 1HA GLY 76 2HA GLY 76 12.552 -6.663 -0.564 1407 2HA GLY 76 1HA GLY 76 11.934 -8.053 0.329 1408 H VAL 77 H VAL 77 11.263 -4.909 -0.620 1409 HA VAL 77 HA VAL 77 9.643 -3.971 1.566 1410 HB VAL 77 HB VAL 77 10.497 -2.444 -0.098 1411 1HG1 VAL 77 1HG1 VAL 77 8.992 -3.085 -2.438 1412 2HG1 VAL 77 2HG1 VAL 77 9.802 -4.560 -1.910 1413 3HG1 VAL 77 3HG1 VAL 77 10.743 -3.105 -2.235 1414 1HG2 VAL 77 1HG2 VAL 77 8.053 -1.869 -1.217 1415 2HG2 VAL 77 2HG2 VAL 77 8.554 -1.374 0.397 1416 3HG2 VAL 77 3HG2 VAL 77 7.584 -2.822 0.186 1417 H SER 78 H SER 78 8.318 -5.726 2.158 1418 HA SER 78 HA SER 78 6.416 -6.923 0.300 1419 1HB SER 78 2HB SER 78 7.325 -7.212 3.026 1420 2HB SER 78 1HB SER 78 5.566 -7.144 3.009 1421 HG SER 78 HG SER 78 6.239 -9.262 2.678 1422 H VAL 79 H VAL 79 3.977 -6.700 1.291 1423 HA VAL 79 HA VAL 79 3.100 -4.209 2.366 1424 HB VAL 79 HB VAL 79 3.768 -3.010 0.473 1425 1HG1 VAL 79 1HG1 VAL 79 3.475 -5.648 -0.900 1426 2HG1 VAL 79 2HG1 VAL 79 4.826 -4.516 -0.916 1427 3HG1 VAL 79 3HG1 VAL 79 3.389 -4.187 -1.883 1428 1HG2 VAL 79 1HG2 VAL 79 1.132 -4.153 -0.507 1429 2HG2 VAL 79 2HG2 VAL 79 1.883 -2.656 -1.058 1430 3HG2 VAL 79 3HG2 VAL 79 1.298 -2.789 0.597 1431 H LYS 80 H LYS 80 0.631 -3.928 1.793 1432 HA LYS 80 HA LYS 80 -0.877 -6.058 0.648 1433 1HB LYS 80 2HB LYS 80 0.133 -6.353 3.400 1434 2HB LYS 80 1HB LYS 80 -1.613 -6.557 3.280 1435 1HG LYS 80 2HG LYS 80 -1.414 -8.545 2.227 1436 2HG LYS 80 1HG LYS 80 -0.164 -7.937 1.141 1437 1HD LYS 80 2HD LYS 80 1.509 -8.162 2.950 1438 2HD LYS 80 1HD LYS 80 0.258 -8.796 4.019 1439 1HE LYS 80 2HE LYS 80 -0.089 -10.483 1.944 1440 2HE LYS 80 1HE LYS 80 1.636 -10.125 1.733 1441 1HZ LYS 80 1HZ LYS 80 2.054 -10.673 4.003 1442 2HZ LYS 80 2HZ LYS 80 1.189 -11.966 3.321 1443 3HZ LYS 80 3HZ LYS 80 0.401 -10.853 4.334 1444 HA PRO 81 HA PRO 81 -4.005 -3.141 1.854 1445 1HB PRO 81 2HB PRO 81 -6.222 -4.691 1.478 1446 2HB PRO 81 1HB PRO 81 -5.215 -4.124 0.133 1447 1HG PRO 81 2HG PRO 81 -5.503 -6.814 1.214 1448 2HG PRO 81 1HG PRO 81 -4.806 -6.289 -0.323 1449 1HD PRO 81 2HD PRO 81 -3.435 -7.014 2.127 1450 2HD PRO 81 1HD PRO 81 -2.749 -6.660 0.527 1451 H GLY 82 H GLY 82 -5.974 -2.947 3.365 1452 1HA GLY 82 2HA GLY 82 -5.677 -4.729 5.764 1453 2HA GLY 82 1HA GLY 82 -5.997 -2.992 5.908 1454 H GLU 83 H GLU 83 -8.070 -2.203 5.381 1455 HA GLU 83 HA GLU 83 -10.261 -4.198 5.388 1456 1HB GLU 83 2HB GLU 83 -10.177 -1.852 6.524 1457 2HB GLU 83 1HB GLU 83 -10.429 -1.213 4.894 1458 1HG GLU 83 2HG GLU 83 -12.486 -2.394 4.648 1459 2HG GLU 83 1HG GLU 83 -12.195 -3.340 6.107 1460 H SER 84 H SER 84 -8.672 -4.659 3.329 1461 HA SER 84 HA SER 84 -8.342 -4.227 0.959 1462 1HB SER 84 2HB SER 84 -9.817 -6.285 2.022 1463 2HB SER 84 1HB SER 84 -10.872 -5.674 0.753 1464 HG SER 84 HG SER 84 -8.122 -6.297 0.421 1465 H LEU 85 H LEU 85 -9.443 -1.824 1.828 1466 HA LEU 85 HA LEU 85 -11.408 -0.404 1.315 1467 1HB LEU 85 2HB LEU 85 -10.125 -1.132 -1.358 1468 2HB LEU 85 1HB LEU 85 -11.038 0.327 -1.036 1469 HG LEU 85 HG LEU 85 -9.297 0.902 0.725 1470 1HD1 LEU 85 1HD1 LEU 85 -7.867 -0.770 1.263 1471 2HD1 LEU 85 2HD1 LEU 85 -7.068 -0.436 -0.272 1472 3HD1 LEU 85 3HD1 LEU 85 -8.292 -1.697 -0.173 1473 1HD2 LEU 85 1HD2 LEU 85 -7.917 1.953 -0.866 1474 2HD2 LEU 85 2HD2 LEU 85 -9.414 1.682 -1.758 1475 3HD2 LEU 85 3HD2 LEU 85 -8.038 0.605 -1.996 1476 H LYS 86 H LYS 86 -11.629 -3.249 1.549 1477 HA LYS 86 HA LYS 86 -13.229 -4.729 -0.273 1478 1HB LYS 86 2HB LYS 86 -11.964 -4.883 2.223 1479 2HB LYS 86 1HB LYS 86 -13.660 -4.904 2.675 1480 1HG LYS 86 2HG LYS 86 -14.057 -6.910 1.460 1481 2HG LYS 86 1HG LYS 86 -12.527 -6.767 0.585 1482 1HD LYS 86 2HD LYS 86 -11.288 -7.001 2.724 1483 2HD LYS 86 1HD LYS 86 -12.815 -7.185 3.581 1484 1HE LYS 86 2HE LYS 86 -12.432 -9.430 3.230 1485 2HE LYS 86 1HE LYS 86 -13.089 -9.090 1.618 1486 1HZ LYS 86 1HZ LYS 86 -10.230 -8.921 2.412 1487 2HZ LYS 86 2HZ LYS 86 -10.846 -8.508 0.884 1488 3HZ LYS 86 3HZ LYS 86 -10.917 -10.116 1.425 1489 H LYS 87 H LYS 87 -13.709 -2.596 2.361 1490 HA LYS 87 HA LYS 87 -16.569 -2.380 2.351 1491 1HB LYS 87 2HB LYS 87 -14.790 -1.946 4.161 1492 2HB LYS 87 1HB LYS 87 -14.388 -0.476 3.273 1493 1HG LYS 87 2HG LYS 87 -16.961 0.024 3.430 1494 2HG LYS 87 1HG LYS 87 -16.933 -1.148 4.747 1495 1HD LYS 87 2HD LYS 87 -15.804 0.254 6.142 1496 2HD LYS 87 1HD LYS 87 -14.776 0.870 4.848 1497 1HE LYS 87 2HE LYS 87 -16.504 2.379 4.086 1498 2HE LYS 87 1HE LYS 87 -17.699 1.638 5.170 1499 1HZ LYS 87 1HZ LYS 87 -16.652 3.687 6.084 1500 2HZ LYS 87 2HZ LYS 87 -15.160 2.871 6.098 1501 3HZ LYS 87 3HZ LYS 87 -16.444 2.317 7.063 1502 H ALA 88 H ALA 88 -13.779 -0.901 0.780 1503 HA ALA 88 HA ALA 88 -15.356 1.285 -0.393 1504 1HB ALA 88 1HB ALA 88 -12.662 0.642 0.027 1505 2HB ALA 88 2HB ALA 88 -13.281 2.054 -0.822 1506 3HB ALA 88 3HB ALA 88 -12.861 0.600 -1.724 1507 H ALA 89 H ALA 89 -14.436 -1.986 -1.137 1508 HA ALA 89 HA ALA 89 -14.969 -1.926 -3.956 1509 1HB ALA 89 1HB ALA 89 -14.919 -4.347 -3.718 1510 2HB ALA 89 2HB ALA 89 -15.262 -4.220 -1.996 1511 3HB ALA 89 3HB ALA 89 -13.714 -3.665 -2.630 1512 H GLU 90 H GLU 90 -17.033 -2.851 -1.193 1513 HA GLU 90 HA GLU 90 -19.394 -3.331 -2.742 1514 1HB GLU 90 2HB GLU 90 -20.414 -3.459 -0.644 1515 2HB GLU 90 1HB GLU 90 -18.729 -3.654 -0.170 1516 1HG GLU 90 2HG GLU 90 -18.743 -1.047 0.021 1517 2HG GLU 90 1HG GLU 90 -20.494 -1.230 0.086 1518 H GLY 91 H GLY 91 -17.738 -0.443 -1.643 1519 1HA GLY 91 2HA GLY 91 -19.916 1.395 -2.215 1520 2HA GLY 91 1HA GLY 91 -18.242 1.839 -1.900 1521 H LEU 92 H LEU 92 -17.354 -0.060 -4.209 1522 HA LEU 92 HA LEU 92 -17.711 2.000 -6.312 1523 1HB LEU 92 2HB LEU 92 -15.773 1.098 -7.199 1524 2HB LEU 92 1HB LEU 92 -15.597 0.540 -5.547 1525 HG LEU 92 HG LEU 92 -17.071 -1.501 -6.607 1526 1HD1 LEU 92 1HD1 LEU 92 -16.345 -0.057 -8.853 1527 2HD1 LEU 92 2HD1 LEU 92 -16.753 -1.773 -8.843 1528 3HD1 LEU 92 3HD1 LEU 92 -15.065 -1.267 -8.750 1529 1HD2 LEU 92 1HD2 LEU 92 -15.273 -2.584 -5.795 1530 2HD2 LEU 92 2HD2 LEU 92 -14.431 -1.042 -5.663 1531 3HD2 LEU 92 3HD2 LEU 92 -14.282 -2.003 -7.132 1532 H LYS 93 H LYS 93 -19.959 0.085 -5.442 1533 HA LYS 93 HA LYS 93 -21.636 -1.193 -6.533 1534 1HB LYS 93 2HB LYS 93 -20.390 0.203 -8.940 1535 2HB LYS 93 1HB LYS 93 -21.984 -0.547 -8.906 1536 1HG LYS 93 2HG LYS 93 -21.475 1.433 -6.765 1537 2HG LYS 93 1HG LYS 93 -21.552 2.091 -8.398 1538 1HD LYS 93 2HD LYS 93 -23.667 0.160 -8.038 1539 2HD LYS 93 1HD LYS 93 -23.728 1.355 -6.743 1540 1HE LYS 93 2HE LYS 93 -23.304 2.353 -9.537 1541 2HE LYS 93 1HE LYS 93 -24.935 1.836 -9.065 1542 1HZ LYS 93 1HZ LYS 93 -23.225 3.704 -7.508 1543 2HZ LYS 93 2HZ LYS 93 -24.814 3.240 -7.126 1544 3HZ LYS 93 3HZ LYS 93 -24.509 4.181 -8.508 1545 H TYR 94 H TYR 94 -19.051 -2.236 -5.973 1546 HA TYR 94 HA TYR 94 -17.570 -3.597 -7.818 1547 1HB TYR 94 2HB TYR 94 -16.810 -4.129 -5.749 1548 2HB TYR 94 1HB TYR 94 -18.403 -3.890 -5.031 1549 HD1 TYR 94 HD1 TYR 94 -16.418 -6.264 -7.081 1550 HD2 TYR 94 HD2 TYR 94 -19.696 -5.716 -4.374 1551 HE1 TYR 94 HE1 TYR 94 -16.760 -8.727 -7.010 1552 HE2 TYR 94 HE2 TYR 94 -20.041 -8.181 -4.289 1553 HH TYR 94 HH TYR 94 -19.415 -10.180 -6.083 1554 H GLU 95 H GLU 95 -20.748 -4.679 -6.587 1555 HA GLU 95 HA GLU 95 -20.908 -7.163 -7.918 1556 1HB GLU 95 2HB GLU 95 -23.255 -6.990 -7.518 1557 2HB GLU 95 1HB GLU 95 -22.486 -6.087 -6.218 1558 1HG GLU 95 2HG GLU 95 -23.513 -4.779 -8.754 1559 2HG GLU 95 1HG GLU 95 -24.479 -4.939 -7.291 1560 H ASP 96 H ASP 96 -21.473 -3.894 -9.132 1561 HA ASP 96 HA ASP 96 -22.494 -4.622 -11.727 1562 1HB ASP 96 2HB ASP 96 -22.455 -2.351 -10.484 1563 2HB ASP 96 1HB ASP 96 -20.786 -2.215 -11.038 1564 H PHE 97 H PHE 97 -19.300 -4.247 -10.300 1565 HA PHE 97 HA PHE 97 -17.795 -4.566 -12.777 1566 1HB PHE 97 2HB PHE 97 -17.381 -4.097 -9.941 1567 2HB PHE 97 1HB PHE 97 -16.269 -5.338 -10.515 1568 HD1 PHE 97 HD1 PHE 97 -17.668 -2.057 -11.713 1569 HD2 PHE 97 HD2 PHE 97 -14.231 -4.605 -11.337 1570 HE1 PHE 97 HE1 PHE 97 -16.255 -0.309 -12.761 1571 HE2 PHE 97 HE2 PHE 97 -12.818 -2.859 -12.385 1572 HZ PHE 97 HZ PHE 97 -13.831 -0.709 -13.098 1573 H ALA 98 H ALA 98 -19.268 -6.674 -10.401 1574 HA ALA 98 HA ALA 98 -17.773 -9.078 -11.017 1575 1HB ALA 98 1HB ALA 98 -19.110 -8.521 -8.935 1576 2HB ALA 98 2HB ALA 98 -19.467 -10.108 -9.619 1577 3HB ALA 98 3HB ALA 98 -20.573 -8.762 -9.891 1578 H LYS 99 H LYS 99 -20.664 -7.546 -12.330 1579 HA LYS 99 HA LYS 99 -20.991 -9.838 -14.236 1580 1HB LYS 99 2HB LYS 99 -22.899 -7.693 -13.246 1581 2HB LYS 99 1HB LYS 99 -23.320 -8.938 -14.422 1582 1HG LYS 99 2HG LYS 99 -22.562 -10.645 -12.671 1583 2HG LYS 99 1HG LYS 99 -22.562 -9.308 -11.520 1584 1HD LYS 99 2HD LYS 99 -24.960 -9.993 -13.234 1585 2HD LYS 99 1HD LYS 99 -24.717 -10.659 -11.619 1586 1HE LYS 99 2HE LYS 99 -24.516 -8.276 -10.764 1587 2HE LYS 99 1HE LYS 99 -25.049 -7.738 -12.370 1588 1HZ LYS 99 1HZ LYS 99 -26.941 -8.045 -10.884 1589 2HZ LYS 99 2HZ LYS 99 -26.494 -9.664 -10.625 1590 3HZ LYS 99 3HZ LYS 99 -26.996 -9.153 -12.166 Start of MODEL 11 1 1H MET 1 1H MET 1 5.427 3.756 11.737 2 2H MET 1 2H MET 1 4.482 2.796 10.701 3 3H MET 1 3H MET 1 3.828 3.377 12.157 4 HA MET 1 HA MET 1 4.025 5.669 11.322 5 1HB MET 1 2HB MET 1 5.655 4.184 9.463 6 2HB MET 1 1HB MET 1 4.411 5.060 8.574 7 1HG MET 1 2HG MET 1 5.092 7.155 9.491 8 2HG MET 1 1HG MET 1 6.125 6.377 10.690 9 1HE MET 1 1HE MET 1 5.481 7.911 7.702 10 2HE MET 1 2HE MET 1 6.739 7.618 6.505 11 3HE MET 1 3HE MET 1 7.066 8.677 7.875 12 H ASN 2 H ASN 2 2.108 6.539 10.245 13 HA ASN 2 HA ASN 2 0.492 4.905 8.536 14 1HB ASN 2 2HB ASN 2 -1.306 4.377 10.135 15 2HB ASN 2 1HB ASN 2 0.227 3.727 10.709 16 1HD2 ASN 2 1HD2 ASN 2 -1.511 4.042 12.730 17 2HD2 ASN 2 2HD2 ASN 2 -1.204 5.443 13.637 18 H LYS 3 H LYS 3 -2.068 6.007 9.550 19 HA LYS 3 HA LYS 3 -2.369 8.291 7.977 20 1HB LYS 3 2HB LYS 3 -3.899 6.704 9.652 21 2HB LYS 3 1HB LYS 3 -3.973 8.274 10.449 22 1HG LYS 3 2HG LYS 3 -5.098 9.270 8.692 23 2HG LYS 3 1HG LYS 3 -4.377 8.204 7.487 24 1HD LYS 3 2HD LYS 3 -5.754 6.322 8.396 25 2HD LYS 3 1HD LYS 3 -6.539 7.462 9.484 26 1HE LYS 3 2HE LYS 3 -6.521 8.013 6.507 27 2HE LYS 3 1HE LYS 3 -7.732 6.922 7.208 28 1HZ LYS 3 1HZ LYS 3 -7.174 9.478 8.548 29 2HZ LYS 3 2HZ LYS 3 -8.604 8.562 8.522 30 3HZ LYS 3 3HZ LYS 3 -8.156 9.482 7.165 31 H THR 4 H THR 4 -0.501 8.142 10.841 32 HA THR 4 HA THR 4 -0.776 11.102 11.252 33 HB THR 4 HB THR 4 -0.045 8.834 13.124 34 HG1 THR 4 HG1 THR 4 -2.220 10.643 12.963 35 1HG2 THR 4 1HG2 THR 4 -0.282 10.897 14.788 36 2HG2 THR 4 2HG2 THR 4 0.235 11.801 13.364 37 3HG2 THR 4 3HG2 THR 4 1.259 10.522 14.017 38 H GLU 5 H GLU 5 1.643 8.547 11.891 39 HA GLU 5 HA GLU 5 3.937 10.133 11.897 40 1HB GLU 5 2HB GLU 5 3.598 7.368 10.720 41 2HB GLU 5 1HB GLU 5 5.108 8.057 11.306 42 1HG GLU 5 2HG GLU 5 3.536 8.435 13.488 43 2HG GLU 5 1HG GLU 5 2.815 6.963 12.835 44 H LEU 6 H LEU 6 2.253 8.708 9.097 45 HA LEU 6 HA LEU 6 4.100 9.646 7.108 46 1HB LEU 6 2HB LEU 6 1.206 8.833 7.202 47 2HB LEU 6 1HB LEU 6 1.873 9.490 5.709 48 HG LEU 6 HG LEU 6 3.148 7.195 7.221 49 1HD1 LEU 6 1HD1 LEU 6 0.705 6.994 6.067 50 2HD1 LEU 6 2HD1 LEU 6 1.875 5.676 6.077 51 3HD1 LEU 6 3HD1 LEU 6 1.727 6.710 4.658 52 1HD2 LEU 6 1HD2 LEU 6 3.932 6.928 4.667 53 2HD2 LEU 6 2HD2 LEU 6 4.802 7.956 5.804 54 3HD2 LEU 6 3HD2 LEU 6 3.653 8.669 4.673 55 H ILE 7 H ILE 7 1.395 11.263 8.802 56 HA ILE 7 HA ILE 7 1.181 13.545 7.099 57 HB ILE 7 HB ILE 7 0.003 14.562 8.852 58 1HG1 ILE 7 2HG1 ILE 7 0.395 13.585 11.304 59 2HG1 ILE 7 1HG1 ILE 7 1.995 13.278 10.648 60 1HG2 ILE 7 1HG2 ILE 7 -0.115 11.597 9.336 61 2HG2 ILE 7 2HG2 ILE 7 -1.199 12.587 8.364 62 3HG2 ILE 7 3HG2 ILE 7 -1.200 12.741 10.117 63 1HD1 ILE 7 1HD1 ILE 7 2.250 15.451 11.445 64 2HD1 ILE 7 2HD1 ILE 7 0.590 15.893 11.047 65 3HD1 ILE 7 3HD1 ILE 7 1.795 15.752 9.768 66 H LYS 8 H LYS 8 3.306 12.812 9.829 67 HA LYS 8 HA LYS 8 4.809 15.261 9.787 68 1HB LYS 8 2HB LYS 8 5.488 12.412 10.585 69 2HB LYS 8 1HB LYS 8 6.512 13.798 10.951 70 1HG LYS 8 2HG LYS 8 5.180 14.480 12.653 71 2HG LYS 8 1HG LYS 8 3.705 14.177 11.737 72 1HD LYS 8 2HD LYS 8 4.172 12.723 13.848 73 2HD LYS 8 1HD LYS 8 3.614 11.921 12.382 74 1HE LYS 8 2HE LYS 8 5.596 10.803 12.101 75 2HE LYS 8 1HE LYS 8 6.561 12.207 12.593 76 1HZ LYS 8 1HZ LYS 8 5.736 11.840 14.889 77 2HZ LYS 8 2HZ LYS 8 6.710 10.572 14.315 78 3HZ LYS 8 3HZ LYS 8 5.022 10.391 14.372 79 H ALA 9 H ALA 9 5.016 12.204 8.013 80 HA ALA 9 HA ALA 9 7.542 12.452 6.785 81 1HB ALA 9 1HB ALA 9 6.698 10.851 5.308 82 2HB ALA 9 2HB ALA 9 5.099 11.594 5.263 83 3HB ALA 9 3HB ALA 9 5.608 10.677 6.681 84 H ILE 10 H ILE 10 4.417 13.951 5.906 85 HA ILE 10 HA ILE 10 5.730 15.433 3.704 86 HB ILE 10 HB ILE 10 2.977 14.769 4.678 87 1HG1 ILE 10 2HG1 ILE 10 2.567 14.535 2.246 88 2HG1 ILE 10 1HG1 ILE 10 4.195 15.132 1.928 89 1HG2 ILE 10 1HG2 ILE 10 2.817 17.190 4.737 90 2HG2 ILE 10 2HG2 ILE 10 1.982 16.611 3.296 91 3HG2 ILE 10 3HG2 ILE 10 3.590 17.320 3.158 92 1HD1 ILE 10 1HD1 ILE 10 3.703 12.742 3.705 93 2HD1 ILE 10 2HD1 ILE 10 5.208 13.230 2.927 94 3HD1 ILE 10 3HD1 ILE 10 3.887 12.579 1.959 95 H ALA 11 H ALA 11 4.443 15.810 6.953 96 HA ALA 11 HA ALA 11 4.535 18.694 6.993 97 1HB ALA 11 1HB ALA 11 3.847 18.324 9.178 98 2HB ALA 11 2HB ALA 11 5.065 17.080 9.451 99 3HB ALA 11 3HB ALA 11 3.586 16.691 8.577 100 H GLN 12 H GLN 12 6.969 16.279 6.897 101 HA GLN 12 HA GLN 12 9.002 18.216 7.903 102 1HB GLN 12 2HB GLN 12 10.238 16.331 8.677 103 2HB GLN 12 1HB GLN 12 8.566 15.921 9.045 104 1HG GLN 12 2HG GLN 12 8.479 14.693 6.834 105 2HG GLN 12 1HG GLN 12 10.219 14.947 6.705 106 1HE2 GLN 12 1HE2 GLN 12 11.280 13.065 7.326 107 2HE2 GLN 12 2HE2 GLN 12 10.838 12.082 8.638 108 H ASP 13 H ASP 13 8.249 15.849 5.323 109 HA ASP 13 HA ASP 13 10.637 16.542 3.757 110 1HB ASP 13 2HB ASP 13 7.992 15.164 3.148 111 2HB ASP 13 1HB ASP 13 9.296 15.317 1.973 112 H THR 14 H THR 14 7.522 17.741 4.407 113 HA THR 14 HA THR 14 7.691 19.812 2.263 114 HB THR 14 HB THR 14 5.071 19.340 3.443 115 HG1 THR 14 HG1 THR 14 6.370 17.133 2.221 116 1HG2 THR 14 1HG2 THR 14 4.415 19.391 1.256 117 2HG2 THR 14 2HG2 THR 14 5.842 18.513 0.703 118 3HG2 THR 14 3HG2 THR 14 5.966 20.221 1.126 119 H GLY 15 H GLY 15 5.578 19.656 5.110 120 1HA GLY 15 2HA GLY 15 5.461 20.974 7.040 121 2HA GLY 15 1HA GLY 15 7.175 21.315 6.821 122 H LEU 16 H LEU 16 6.459 22.316 4.029 123 HA LEU 16 HA LEU 16 6.673 24.999 4.113 124 1HB LEU 16 2HB LEU 16 4.251 24.407 2.563 125 2HB LEU 16 1HB LEU 16 5.787 25.069 2.024 126 HG LEU 16 HG LEU 16 6.697 22.696 2.258 127 1HD1 LEU 16 1HD1 LEU 16 5.202 21.301 3.299 128 2HD1 LEU 16 2HD1 LEU 16 4.453 21.220 1.717 129 3HD1 LEU 16 3HD1 LEU 16 3.841 22.348 2.915 130 1HD2 LEU 16 1HD2 LEU 16 4.502 22.838 0.197 131 2HD2 LEU 16 2HD2 LEU 16 6.162 22.272 0.003 132 3HD2 LEU 16 3HD2 LEU 16 5.827 23.999 0.123 133 H THR 17 H THR 17 3.458 23.570 4.356 134 HA THR 17 HA THR 17 2.657 25.785 6.180 135 HB THR 17 HB THR 17 1.930 25.527 3.566 136 HG1 THR 17 HG1 THR 17 0.976 27.256 4.227 137 1HG2 THR 17 1HG2 THR 17 -0.424 24.652 3.616 138 2HG2 THR 17 2HG2 THR 17 -0.103 24.020 5.222 139 3HG2 THR 17 3HG2 THR 17 0.812 23.418 3.838 140 H GLN 18 H GLN 18 2.963 22.449 5.671 141 HA GLN 18 HA GLN 18 2.119 20.579 6.828 142 1HB GLN 18 2HB GLN 18 1.142 22.578 8.882 143 2HB GLN 18 1HB GLN 18 1.761 20.950 9.158 144 1HG GLN 18 2HG GLN 18 3.976 21.824 8.169 145 2HG GLN 18 1HG GLN 18 3.299 23.435 8.417 146 1HE2 GLN 18 1HE2 GLN 18 5.617 22.295 9.864 147 2HE2 GLN 18 2HE2 GLN 18 5.186 22.256 11.506 148 H VAL 19 H VAL 19 0.610 21.961 4.873 149 HA VAL 19 HA VAL 19 -1.876 22.807 4.924 150 HB VAL 19 HB VAL 19 -1.119 21.930 2.874 151 1HG1 VAL 19 1HG1 VAL 19 -0.785 19.325 2.688 152 2HG1 VAL 19 2HG1 VAL 19 -0.545 19.433 4.431 153 3HG1 VAL 19 3HG1 VAL 19 0.501 20.334 3.342 154 1HG2 VAL 19 1HG2 VAL 19 -2.819 19.615 2.905 155 2HG2 VAL 19 2HG2 VAL 19 -3.116 21.186 2.163 156 3HG2 VAL 19 3HG2 VAL 19 -3.583 20.899 3.835 157 H SER 20 H SER 20 -2.223 19.386 4.883 158 HA SER 20 HA SER 20 -3.634 19.381 7.461 159 1HB SER 20 2HB SER 20 -4.589 18.914 4.719 160 2HB SER 20 1HB SER 20 -5.055 17.681 5.871 161 HG SER 20 HG SER 20 -5.701 19.555 7.227 162 H VAL 21 H VAL 21 -0.939 18.483 6.310 163 HA VAL 21 HA VAL 21 -0.250 16.080 5.622 164 HB VAL 21 HB VAL 21 1.218 15.897 7.626 165 1HG1 VAL 21 1HG1 VAL 21 1.237 18.805 7.153 166 2HG1 VAL 21 2HG1 VAL 21 1.216 17.827 5.687 167 3HG1 VAL 21 3HG1 VAL 21 2.505 17.612 6.872 168 1HG2 VAL 21 1HG2 VAL 21 -0.302 16.535 9.387 169 2HG2 VAL 21 2HG2 VAL 21 -0.592 18.103 8.634 170 3HG2 VAL 21 3HG2 VAL 21 0.983 17.742 9.341 171 H SER 22 H SER 22 -2.144 16.682 8.458 172 HA SER 22 HA SER 22 -2.575 13.810 9.050 173 1HB SER 22 2HB SER 22 -3.644 14.643 11.002 174 2HB SER 22 1HB SER 22 -2.316 15.758 10.701 175 HG SER 22 HG SER 22 -3.780 17.249 10.573 176 H LYS 23 H LYS 23 -4.446 16.559 7.751 177 HA LYS 23 HA LYS 23 -6.787 14.822 7.352 178 1HB LYS 23 2HB LYS 23 -7.664 16.840 7.885 179 2HB LYS 23 1HB LYS 23 -6.149 17.665 7.550 180 1HG LYS 23 2HG LYS 23 -7.818 18.530 6.037 181 2HG LYS 23 1HG LYS 23 -6.710 17.541 5.094 182 1HD LYS 23 2HD LYS 23 -8.495 15.644 5.744 183 2HD LYS 23 1HD LYS 23 -9.559 17.051 5.794 184 1HE LYS 23 2HE LYS 23 -8.542 17.687 3.504 185 2HE LYS 23 1HE LYS 23 -7.942 16.018 3.455 186 1HZ LYS 23 1HZ LYS 23 -10.132 15.181 3.764 187 2HZ LYS 23 2HZ LYS 23 -10.226 16.323 2.510 188 3HZ LYS 23 3HZ LYS 23 -10.760 16.726 4.071 189 H MET 24 H MET 24 -4.081 16.096 5.411 190 HA MET 24 HA MET 24 -5.498 15.464 2.914 191 1HB MET 24 2HB MET 24 -3.015 15.767 2.028 192 2HB MET 24 1HB MET 24 -3.981 17.158 2.478 193 1HG MET 24 2HG MET 24 -2.501 17.729 4.065 194 2HG MET 24 1HG MET 24 -2.597 16.126 4.790 195 1HE MET 24 1HE MET 24 -1.383 13.944 3.197 196 2HE MET 24 2HE MET 24 -1.334 14.596 4.831 197 3HE MET 24 3HE MET 24 0.171 14.233 3.993 198 H LEU 25 H LEU 25 -3.083 13.856 5.041 199 HA LEU 25 HA LEU 25 -2.840 11.668 3.093 200 1HB LEU 25 2HB LEU 25 -0.995 11.276 4.330 201 2HB LEU 25 1HB LEU 25 -1.397 12.715 5.251 202 HG LEU 25 HG LEU 25 -2.715 11.369 6.802 203 1HD1 LEU 25 1HD1 LEU 25 -2.443 9.398 4.706 204 2HD1 LEU 25 2HD1 LEU 25 -3.422 9.305 6.169 205 3HD1 LEU 25 3HD1 LEU 25 -1.750 8.749 6.192 206 1HD2 LEU 25 1HD2 LEU 25 -0.015 10.068 6.441 207 2HD2 LEU 25 2HD2 LEU 25 -0.837 10.455 7.947 208 3HD2 LEU 25 3HD2 LEU 25 -0.164 11.745 6.953 209 H ALA 26 H ALA 26 -4.511 12.357 6.166 210 HA ALA 26 HA ALA 26 -5.797 9.807 6.477 211 1HB ALA 26 1HB ALA 26 -6.618 12.646 7.186 212 2HB ALA 26 2HB ALA 26 -5.774 11.507 8.235 213 3HB ALA 26 3HB ALA 26 -7.451 11.212 7.778 214 H SER 27 H SER 27 -6.266 12.549 4.382 215 HA SER 27 HA SER 27 -8.933 11.720 3.443 216 1HB SER 27 2HB SER 27 -8.509 14.064 3.436 217 2HB SER 27 1HB SER 27 -6.899 13.849 2.754 218 HG SER 27 HG SER 27 -9.326 13.196 1.429 219 H PHE 28 H PHE 28 -5.555 11.630 2.415 220 HA PHE 28 HA PHE 28 -5.902 10.564 -0.216 221 1HB PHE 28 2HB PHE 28 -3.723 11.185 0.124 222 2HB PHE 28 1HB PHE 28 -3.807 10.856 1.849 223 HD1 PHE 28 HD1 PHE 28 -3.035 9.472 -1.450 224 HD2 PHE 28 HD2 PHE 28 -3.412 8.578 2.727 225 HE1 PHE 28 HE1 PHE 28 -1.795 7.364 -1.795 226 HE2 PHE 28 HE2 PHE 28 -2.182 6.464 2.381 227 HZ PHE 28 HZ PHE 28 -1.366 5.855 0.115 228 H GLU 29 H GLU 29 -5.900 9.083 2.984 229 HA GLU 29 HA GLU 29 -5.972 6.347 1.964 230 1HB GLU 29 2HB GLU 29 -6.118 7.827 4.572 231 2HB GLU 29 1HB GLU 29 -6.635 6.140 4.520 232 1HG GLU 29 2HG GLU 29 -4.527 5.422 3.695 233 2HG GLU 29 1HG GLU 29 -4.032 7.068 3.354 234 H LYS 30 H LYS 30 -8.088 8.877 3.079 235 HA LYS 30 HA LYS 30 -10.530 7.330 3.102 236 1HB LYS 30 2HB LYS 30 -10.200 9.482 4.297 237 2HB LYS 30 1HB LYS 30 -9.991 10.300 2.749 238 1HG LYS 30 2HG LYS 30 -12.242 9.880 2.101 239 2HG LYS 30 1HG LYS 30 -12.473 8.705 3.396 240 1HD LYS 30 2HD LYS 30 -13.064 10.320 4.856 241 2HD LYS 30 1HD LYS 30 -11.630 11.272 4.469 242 1HE LYS 30 2HE LYS 30 -13.936 11.213 2.528 243 2HE LYS 30 1HE LYS 30 -13.982 12.297 3.933 244 1HZ LYS 30 1HZ LYS 30 -11.721 12.098 2.013 245 2HZ LYS 30 2HZ LYS 30 -11.834 13.169 3.328 246 3HZ LYS 30 3HZ LYS 30 -12.887 13.329 2.004 247 H ILE 31 H ILE 31 -8.613 9.005 0.653 248 HA ILE 31 HA ILE 31 -10.765 8.629 -1.356 249 HB ILE 31 HB ILE 31 -9.183 9.922 -2.773 250 1HG1 ILE 31 2HG1 ILE 31 -7.604 11.106 -0.771 251 2HG1 ILE 31 1HG1 ILE 31 -7.416 9.362 -0.631 252 1HG2 ILE 31 1HG2 ILE 31 -11.039 10.841 -1.213 253 2HG2 ILE 31 2HG2 ILE 31 -9.867 11.978 -1.879 254 3HG2 ILE 31 3HG2 ILE 31 -9.696 11.405 -0.219 255 1HD1 ILE 31 1HD1 ILE 31 -6.291 9.205 -2.583 256 2HD1 ILE 31 2HD1 ILE 31 -6.098 10.954 -2.461 257 3HD1 ILE 31 3HD1 ILE 31 -7.421 10.276 -3.409 258 H ILE 32 H ILE 32 -7.605 7.449 -0.462 259 HA ILE 32 HA ILE 32 -7.055 5.930 -2.850 260 HB ILE 32 HB ILE 32 -6.267 5.653 0.084 261 1HG1 ILE 32 2HG1 ILE 32 -5.448 7.488 -1.747 262 2HG1 ILE 32 1HG1 ILE 32 -4.393 6.872 -0.477 263 1HG2 ILE 32 1HG2 ILE 32 -5.589 3.923 -2.296 264 2HG2 ILE 32 2HG2 ILE 32 -6.055 3.437 -0.666 265 3HG2 ILE 32 3HG2 ILE 32 -4.448 4.100 -0.964 266 1HD1 ILE 32 1HD1 ILE 32 -3.437 6.850 -2.842 267 2HD1 ILE 32 2HD1 ILE 32 -4.598 5.567 -3.192 268 3HD1 ILE 32 3HD1 ILE 32 -3.357 5.324 -1.962 269 H THR 33 H THR 33 -8.360 5.037 0.322 270 HA THR 33 HA THR 33 -9.175 2.453 -0.549 271 HB THR 33 HB THR 33 -8.913 3.872 1.837 272 HG1 THR 33 HG1 THR 33 -8.460 1.804 1.958 273 1HG2 THR 33 1HG2 THR 33 -11.224 4.660 1.644 274 2HG2 THR 33 2HG2 THR 33 -11.066 3.513 2.975 275 3HG2 THR 33 3HG2 THR 33 -11.779 2.999 1.447 276 H GLU 34 H GLU 34 -10.756 5.610 -0.322 277 HA GLU 34 HA GLU 34 -13.407 4.675 -1.044 278 1HB GLU 34 2HB GLU 34 -11.934 7.280 -0.847 279 2HB GLU 34 1HB GLU 34 -13.555 7.245 -1.532 280 1HG GLU 34 2HG GLU 34 -12.841 6.054 1.171 281 2HG GLU 34 1HG GLU 34 -13.525 7.667 0.962 282 H THR 35 H THR 35 -10.659 6.042 -2.943 283 HA THR 35 HA THR 35 -12.060 6.351 -5.417 284 HB THR 35 HB THR 35 -9.178 5.628 -4.786 285 HG1 THR 35 HG1 THR 35 -10.015 7.710 -4.156 286 1HG2 THR 35 1HG2 THR 35 -8.672 6.149 -7.108 287 2HG2 THR 35 2HG2 THR 35 -10.357 6.563 -7.418 288 3HG2 THR 35 3HG2 THR 35 -9.908 4.893 -7.077 289 H VAL 36 H VAL 36 -10.237 3.576 -4.111 290 HA VAL 36 HA VAL 36 -10.804 1.764 -6.245 291 HB VAL 36 HB VAL 36 -10.279 1.605 -3.286 292 1HG1 VAL 36 1HG1 VAL 36 -10.108 -1.009 -4.006 293 2HG1 VAL 36 2HG1 VAL 36 -11.489 -0.505 -4.980 294 3HG1 VAL 36 3HG1 VAL 36 -11.527 -0.308 -3.228 295 1HG2 VAL 36 1HG2 VAL 36 -8.441 0.056 -4.497 296 2HG2 VAL 36 2HG2 VAL 36 -8.261 1.805 -4.361 297 3HG2 VAL 36 3HG2 VAL 36 -8.869 1.094 -5.856 298 H ALA 37 H ALA 37 -12.633 2.850 -3.428 299 HA ALA 37 HA ALA 37 -14.949 1.142 -3.969 300 1HB ALA 37 1HB ALA 37 -15.882 2.347 -2.079 301 2HB ALA 37 2HB ALA 37 -14.622 3.574 -2.203 302 3HB ALA 37 3HB ALA 37 -14.208 1.934 -1.725 303 H LYS 38 H LYS 38 -13.663 3.886 -5.393 304 HA LYS 38 HA LYS 38 -16.324 5.027 -6.131 305 1HB LYS 38 2HB LYS 38 -13.947 6.178 -5.339 306 2HB LYS 38 1HB LYS 38 -13.829 6.281 -7.095 307 1HG LYS 38 2HG LYS 38 -15.318 7.969 -7.146 308 2HG LYS 38 1HG LYS 38 -16.496 7.007 -6.253 309 1HD LYS 38 2HD LYS 38 -14.210 8.554 -4.993 310 2HD LYS 38 1HD LYS 38 -15.887 9.097 -5.048 311 1HE LYS 38 2HE LYS 38 -15.494 6.356 -3.976 312 2HE LYS 38 1HE LYS 38 -14.868 7.673 -2.964 313 1HZ LYS 38 1HZ LYS 38 -17.588 7.558 -4.160 314 2HZ LYS 38 2HZ LYS 38 -16.980 8.820 -3.198 315 3HZ LYS 38 3HZ LYS 38 -17.222 7.278 -2.527 316 H GLY 39 H GLY 39 -13.439 3.456 -7.336 317 1HA GLY 39 2HA GLY 39 -13.937 1.882 -9.204 318 2HA GLY 39 1HA GLY 39 -14.798 3.215 -9.962 319 H ASP 40 H ASP 40 -11.663 3.525 -8.314 320 HA ASP 40 HA ASP 40 -10.398 3.863 -11.014 321 1HB ASP 40 2HB ASP 40 -11.016 5.862 -9.028 322 2HB ASP 40 1HB ASP 40 -9.268 5.770 -9.254 323 H LYS 41 H LYS 41 -8.244 3.199 -11.111 324 HA LYS 41 HA LYS 41 -7.260 1.585 -8.839 325 1HB LYS 41 2HB LYS 41 -6.484 1.986 -11.739 326 2HB LYS 41 1HB LYS 41 -5.550 0.966 -10.644 327 1HG LYS 41 2HG LYS 41 -7.572 -0.383 -10.184 328 2HG LYS 41 1HG LYS 41 -8.491 0.623 -11.302 329 1HD LYS 41 2HD LYS 41 -5.962 -0.738 -12.206 330 2HD LYS 41 1HD LYS 41 -7.494 -1.614 -12.189 331 1HE LYS 41 2HE LYS 41 -8.478 0.321 -13.539 332 2HE LYS 41 1HE LYS 41 -6.810 0.887 -13.760 333 1HZ LYS 41 1HZ LYS 41 -7.605 -0.687 -15.514 334 2HZ LYS 41 2HZ LYS 41 -7.683 -1.895 -14.320 335 3HZ LYS 41 3HZ LYS 41 -6.191 -1.181 -14.715 336 H VAL 42 H VAL 42 -6.544 3.229 -7.389 337 HA VAL 42 HA VAL 42 -4.908 5.470 -8.087 338 HB VAL 42 HB VAL 42 -4.440 5.466 -5.641 339 1HG1 VAL 42 1HG1 VAL 42 -6.722 5.772 -4.942 340 2HG1 VAL 42 2HG1 VAL 42 -7.311 4.699 -6.211 341 3HG1 VAL 42 3HG1 VAL 42 -6.626 6.268 -6.632 342 1HG2 VAL 42 1HG2 VAL 42 -5.250 2.649 -5.988 343 2HG2 VAL 42 2HG2 VAL 42 -5.982 3.448 -4.597 344 3HG2 VAL 42 3HG2 VAL 42 -4.226 3.380 -4.752 345 H GLN 43 H GLN 43 -2.623 5.721 -8.053 346 HA GLN 43 HA GLN 43 -0.980 3.257 -7.655 347 1HB GLN 43 2HB GLN 43 -0.836 5.090 -10.070 348 2HB GLN 43 1HB GLN 43 0.072 3.599 -9.824 349 1HG GLN 43 2HG GLN 43 -2.217 2.439 -9.630 350 2HG GLN 43 1HG GLN 43 -2.889 3.922 -10.310 351 1HE2 GLN 43 1HE2 GLN 43 -2.251 4.503 -12.530 352 2HE2 GLN 43 2HE2 GLN 43 -1.585 3.341 -13.573 353 H LEU 44 H LEU 44 1.425 3.888 -7.755 354 HA LEU 44 HA LEU 44 1.873 6.680 -6.762 355 1HB LEU 44 2HB LEU 44 3.135 4.152 -5.677 356 2HB LEU 44 1HB LEU 44 3.296 5.778 -5.032 357 HG LEU 44 HG LEU 44 0.811 4.044 -5.036 358 1HD1 LEU 44 1HD1 LEU 44 2.413 5.352 -2.814 359 2HD1 LEU 44 2HD1 LEU 44 2.455 3.646 -3.215 360 3HD1 LEU 44 3HD1 LEU 44 0.975 4.362 -2.589 361 1HD2 LEU 44 1HD2 LEU 44 0.397 6.435 -3.568 362 2HD2 LEU 44 2HD2 LEU 44 -0.430 5.923 -5.036 363 3HD2 LEU 44 3HD2 LEU 44 1.021 6.920 -5.143 364 H THR 45 H THR 45 4.463 6.893 -6.603 365 HA THR 45 HA THR 45 5.603 7.207 -9.093 366 HB THR 45 HB THR 45 6.625 7.999 -7.057 367 HG1 THR 45 HG1 THR 45 8.332 7.814 -8.265 368 1HG2 THR 45 1HG2 THR 45 6.968 5.069 -6.383 369 2HG2 THR 45 2HG2 THR 45 5.931 6.218 -5.558 370 3HG2 THR 45 3HG2 THR 45 7.677 6.390 -5.460 371 H GLY 46 H GLY 46 4.522 5.026 -9.999 372 1HA GLY 46 2HA GLY 46 4.819 2.856 -10.845 373 2HA GLY 46 1HA GLY 46 6.491 3.374 -11.047 374 H PHE 47 H PHE 47 5.176 3.244 -7.797 375 HA PHE 47 HA PHE 47 6.747 0.759 -7.385 376 1HB PHE 47 2HB PHE 47 7.829 1.733 -5.629 377 2HB PHE 47 1HB PHE 47 7.394 3.207 -6.467 378 HD1 PHE 47 HD1 PHE 47 5.252 4.439 -5.722 379 HD2 PHE 47 HD2 PHE 47 7.065 1.308 -3.401 380 HE1 PHE 47 HE1 PHE 47 4.114 5.248 -3.710 381 HE2 PHE 47 HE2 PHE 47 5.879 2.121 -1.409 382 HZ PHE 47 HZ PHE 47 4.407 4.104 -1.593 383 H LEU 48 H LEU 48 3.827 2.551 -6.445 384 HA LEU 48 HA LEU 48 2.776 -0.065 -5.455 385 1HB LEU 48 2HB LEU 48 2.587 2.704 -4.439 386 2HB LEU 48 1HB LEU 48 1.215 1.633 -4.160 387 HG LEU 48 HG LEU 48 4.063 1.325 -3.235 388 1HD1 LEU 48 1HD1 LEU 48 1.338 1.358 -1.947 389 2HD1 LEU 48 2HD1 LEU 48 2.702 2.434 -1.643 390 3HD1 LEU 48 3HD1 LEU 48 2.760 0.759 -1.094 391 1HD2 LEU 48 1HD2 LEU 48 3.040 -0.973 -2.349 392 2HD2 LEU 48 2HD2 LEU 48 3.778 -0.876 -3.947 393 3HD2 LEU 48 3HD2 LEU 48 2.024 -0.808 -3.781 394 H ASN 49 H ASN 49 1.328 -0.874 -6.764 395 HA ASN 49 HA ASN 49 -0.428 0.976 -8.354 396 1HB ASN 49 2HB ASN 49 1.331 -0.569 -9.458 397 2HB ASN 49 1HB ASN 49 0.263 -1.897 -9.000 398 1HD2 ASN 49 1HD2 ASN 49 0.906 -0.827 -11.759 399 2HD2 ASN 49 2HD2 ASN 49 -0.598 -0.432 -12.439 400 H ILE 50 H ILE 50 -1.990 0.993 -6.552 401 HA ILE 50 HA ILE 50 -3.188 -1.555 -5.686 402 HB ILE 50 HB ILE 50 -4.012 1.317 -5.162 403 1HG1 ILE 50 2HG1 ILE 50 -1.658 1.025 -4.552 404 2HG1 ILE 50 1HG1 ILE 50 -2.639 1.107 -3.090 405 1HG2 ILE 50 1HG2 ILE 50 -5.743 0.105 -4.266 406 2HG2 ILE 50 2HG2 ILE 50 -4.616 -0.027 -2.916 407 3HG2 ILE 50 3HG2 ILE 50 -4.764 -1.350 -4.072 408 1HD1 ILE 50 1HD1 ILE 50 -1.329 -0.749 -2.617 409 2HD1 ILE 50 2HD1 ILE 50 -1.242 -1.246 -4.306 410 3HD1 ILE 50 3HD1 ILE 50 -2.717 -1.524 -3.380 411 H LYS 51 H LYS 51 -4.897 -2.494 -6.740 412 HA LYS 51 HA LYS 51 -6.867 -0.757 -8.135 413 1HB LYS 51 2HB LYS 51 -6.594 -1.995 -10.222 414 2HB LYS 51 1HB LYS 51 -5.018 -1.385 -9.722 415 1HG LYS 51 2HG LYS 51 -4.349 -3.535 -10.052 416 2HG LYS 51 1HG LYS 51 -5.063 -3.808 -8.462 417 1HD LYS 51 2HD LYS 51 -6.974 -4.784 -9.333 418 2HD LYS 51 1HD LYS 51 -6.852 -3.908 -10.859 419 1HE LYS 51 2HE LYS 51 -4.770 -5.959 -10.105 420 2HE LYS 51 1HE LYS 51 -6.285 -6.442 -10.894 421 1HZ LYS 51 1HZ LYS 51 -4.357 -4.403 -11.873 422 2HZ LYS 51 2HZ LYS 51 -5.865 -4.725 -12.585 423 3HZ LYS 51 3HZ LYS 51 -4.657 -5.918 -12.573 424 HA PRO 52 HA PRO 52 -9.299 -3.899 -6.131 425 1HB PRO 52 2HB PRO 52 -11.754 -2.983 -6.866 426 2HB PRO 52 1HB PRO 52 -10.774 -2.221 -5.598 427 1HG PRO 52 2HG PRO 52 -11.237 -1.382 -8.398 428 2HG PRO 52 1HG PRO 52 -10.997 -0.401 -6.946 429 1HD PRO 52 2HD PRO 52 -9.072 -0.897 -8.872 430 2HD PRO 52 1HD PRO 52 -8.743 -0.360 -7.212 431 H VAL 53 H VAL 53 -10.194 -5.823 -6.727 432 HA VAL 53 HA VAL 53 -11.090 -6.195 -9.549 433 HB VAL 53 HB VAL 53 -9.877 -8.326 -9.590 434 1HG1 VAL 53 1HG1 VAL 53 -8.003 -7.271 -10.330 435 2HG1 VAL 53 2HG1 VAL 53 -7.690 -6.538 -8.757 436 3HG1 VAL 53 3HG1 VAL 53 -8.835 -5.786 -9.869 437 1HG2 VAL 53 1HG2 VAL 53 -9.504 -9.185 -7.502 438 2HG2 VAL 53 2HG2 VAL 53 -9.431 -7.591 -6.755 439 3HG2 VAL 53 3HG2 VAL 53 -8.019 -8.240 -7.586 440 H ALA 54 H ALA 54 -13.203 -6.658 -9.305 441 HA ALA 54 HA ALA 54 -14.478 -7.787 -7.008 442 1HB ALA 54 1HB ALA 54 -16.026 -6.754 -8.312 443 2HB ALA 54 2HB ALA 54 -16.152 -8.319 -9.114 444 3HB ALA 54 3HB ALA 54 -15.116 -7.063 -9.791 445 H ARG 55 H ARG 55 -14.281 -9.888 -6.244 446 HA ARG 55 HA ARG 55 -14.761 -12.125 -8.011 447 1HB ARG 55 2HB ARG 55 -12.472 -11.357 -8.684 448 2HB ARG 55 1HB ARG 55 -11.916 -11.750 -7.058 449 1HG ARG 55 2HG ARG 55 -13.427 -13.947 -8.247 450 2HG ARG 55 1HG ARG 55 -12.030 -13.505 -9.228 451 1HD ARG 55 2HD ARG 55 -11.275 -13.510 -6.435 452 2HD ARG 55 1HD ARG 55 -12.012 -15.064 -6.867 453 HE ARG 55 HE ARG 55 -10.409 -14.731 -8.994 454 1HH1 ARG 55 1HH2 ARG 55 -9.279 -12.745 -6.696 455 2HH1 ARG 55 2HH2 ARG 55 -7.828 -13.616 -6.326 456 1HH2 ARG 55 1HH1 ARG 55 -8.772 -16.456 -8.078 457 2HH2 ARG 55 2HH1 ARG 55 -7.542 -15.717 -7.109 458 H GLN 56 H GLN 56 -15.065 -11.039 -4.956 459 HA GLN 56 HA GLN 56 -15.481 -13.679 -3.908 460 1HB GLN 56 2HB GLN 56 -13.568 -13.638 -2.299 461 2HB GLN 56 1HB GLN 56 -13.079 -13.741 -3.992 462 1HG GLN 56 2HG GLN 56 -11.867 -11.856 -3.714 463 2HG GLN 56 1HG GLN 56 -13.374 -10.984 -3.440 464 1HE2 GLN 56 1HE2 GLN 56 -14.013 -10.544 -1.234 465 2HE2 GLN 56 2HE2 GLN 56 -12.945 -10.755 0.069 466 H ALA 57 H ALA 57 -16.600 -13.768 -2.063 467 HA ALA 57 HA ALA 57 -16.660 -12.168 0.220 468 1HB ALA 57 1HB ALA 57 -17.160 -10.170 -0.888 469 2HB ALA 57 2HB ALA 57 -18.787 -10.769 -0.582 470 3HB ALA 57 3HB ALA 57 -18.053 -10.983 -2.165 471 H ARG 58 H ARG 58 -19.152 -12.093 1.101 472 HA ARG 58 HA ARG 58 -21.037 -13.859 -0.066 473 1HB ARG 58 2HB ARG 58 -20.775 -15.787 1.544 474 2HB ARG 58 1HB ARG 58 -19.499 -15.640 0.340 475 1HG ARG 58 2HG ARG 58 -18.834 -14.062 2.669 476 2HG ARG 58 1HG ARG 58 -19.206 -15.718 3.151 477 1HD ARG 58 2HD ARG 58 -17.574 -16.611 1.585 478 2HD ARG 58 1HD ARG 58 -17.284 -14.997 0.906 479 HE ARG 58 HE ARG 58 -16.627 -14.400 3.365 480 1HH1 ARG 58 1HH1 ARG 58 -14.463 -15.673 1.684 481 2HH1 ARG 58 2HH1 ARG 58 -13.898 -16.929 2.735 482 1HH2 ARG 58 1HH2 ARG 58 -16.670 -16.801 4.815 483 2HH2 ARG 58 2HH2 ARG 58 -15.148 -17.567 4.508 484 H LYS 59 H LYS 59 -22.881 -13.263 0.691 485 HA LYS 59 HA LYS 59 -23.304 -11.622 2.994 486 1HB LYS 59 2HB LYS 59 -25.143 -13.334 1.312 487 2HB LYS 59 1HB LYS 59 -25.697 -12.105 2.438 488 1HG LYS 59 2HG LYS 59 -23.654 -11.043 0.669 489 2HG LYS 59 1HG LYS 59 -24.996 -11.721 -0.255 490 1HD LYS 59 2HD LYS 59 -26.527 -10.212 0.594 491 2HD LYS 59 1HD LYS 59 -25.648 -10.012 2.110 492 1HE LYS 59 2HE LYS 59 -24.265 -9.094 -0.373 493 2HE LYS 59 1HE LYS 59 -25.614 -8.104 0.223 494 1HZ LYS 59 1HZ LYS 59 -23.568 -7.452 1.317 495 2HZ LYS 59 2HZ LYS 59 -23.295 -9.051 1.825 496 3HZ LYS 59 3HZ LYS 59 -24.615 -8.174 2.439 497 H GLY 60 H GLY 60 -25.743 -13.712 3.523 498 1HA GLY 60 2HA GLY 60 -24.200 -15.615 5.189 499 2HA GLY 60 1HA GLY 60 -25.258 -14.502 6.049 500 H PHE 61 H PHE 61 -25.168 -17.543 5.231 501 HA PHE 61 HA PHE 61 -27.421 -18.291 3.755 502 1HB PHE 61 2HB PHE 61 -26.442 -20.197 4.298 503 2HB PHE 61 1HB PHE 61 -25.528 -19.412 5.551 504 HD1 PHE 61 HD1 PHE 61 -27.079 -18.936 7.786 505 HD2 PHE 61 HD2 PHE 61 -27.605 -22.054 4.886 506 HE1 PHE 61 HE1 PHE 61 -28.279 -20.294 9.427 507 HE2 PHE 61 HE2 PHE 61 -28.821 -23.412 6.545 508 HZ PHE 61 HZ PHE 61 -29.164 -22.533 8.830 509 H ASN 62 H ASN 62 -29.096 -19.713 5.533 510 HA ASN 62 HA ASN 62 -31.188 -18.074 6.304 511 1HB ASN 62 2HB ASN 62 -30.174 -20.714 6.648 512 2HB ASN 62 1HB ASN 62 -30.729 -20.165 8.226 513 1HD2 ASN 62 1HD2 ASN 62 -32.677 -21.473 8.243 514 2HD2 ASN 62 2HD2 ASN 62 -33.965 -21.195 7.172 515 HA PRO 63 HA PRO 63 -29.968 -16.070 10.072 516 1HB PRO 63 2HB PRO 63 -31.977 -16.602 11.853 517 2HB PRO 63 1HB PRO 63 -32.172 -15.492 10.482 518 1HG PRO 63 2HG PRO 63 -33.096 -18.295 10.791 519 2HG PRO 63 1HG PRO 63 -33.870 -16.933 9.970 520 1HD PRO 63 2HD PRO 63 -32.511 -18.952 8.694 521 2HD PRO 63 1HD PRO 63 -32.771 -17.332 8.013 522 H GLN 64 H GLN 64 -29.899 -19.372 9.818 523 HA GLN 64 HA GLN 64 -29.402 -20.097 12.569 524 1HB GLN 64 2HB GLN 64 -30.039 -21.338 10.150 525 2HB GLN 64 1HB GLN 64 -28.439 -21.948 10.558 526 1HG GLN 64 2HG GLN 64 -29.226 -23.183 12.283 527 2HG GLN 64 1HG GLN 64 -30.223 -21.856 12.879 528 1HE2 GLN 64 1HE2 GLN 64 -31.999 -21.396 10.803 529 2HE2 GLN 64 2HE2 GLN 64 -32.913 -22.790 10.483 530 H THR 65 H THR 65 -27.014 -21.364 10.432 531 HA THR 65 HA THR 65 -24.837 -20.365 12.033 532 HB THR 65 HB THR 65 -23.492 -21.421 10.218 533 HG1 THR 65 HG1 THR 65 -24.729 -22.368 8.499 534 1HG2 THR 65 1HG2 THR 65 -24.343 -23.669 10.506 535 2HG2 THR 65 2HG2 THR 65 -25.947 -23.055 10.906 536 3HG2 THR 65 3HG2 THR 65 -24.598 -22.785 12.010 537 H GLN 66 H GLN 66 -26.740 -18.868 9.651 538 HA GLN 66 HA GLN 66 -26.521 -16.861 8.445 539 1HB GLN 66 2HB GLN 66 -25.033 -16.680 10.973 540 2HB GLN 66 1HB GLN 66 -24.469 -15.535 9.755 541 1HG GLN 66 2HG GLN 66 -26.378 -14.308 9.852 542 2HG GLN 66 1HG GLN 66 -27.402 -15.742 9.930 543 1HE2 GLN 66 1HE2 GLN 66 -27.147 -16.965 12.185 544 2HE2 GLN 66 2HE2 GLN 66 -27.130 -15.962 13.553 545 H GLU 67 H GLU 67 -25.246 -18.923 7.139 546 HA GLU 67 HA GLU 67 -23.294 -17.568 5.501 547 1HB GLU 67 2HB GLU 67 -22.357 -18.689 8.013 548 2HB GLU 67 1HB GLU 67 -21.527 -19.436 6.648 549 1HG GLU 67 2HG GLU 67 -21.529 -16.788 5.915 550 2HG GLU 67 1HG GLU 67 -21.357 -16.676 7.667 551 H ALA 68 H ALA 68 -24.681 -18.751 3.899 552 HA ALA 68 HA ALA 68 -23.537 -21.107 2.930 553 1HB ALA 68 1HB ALA 68 -25.087 -21.525 5.245 554 2HB ALA 68 2HB ALA 68 -24.268 -22.735 4.262 555 3HB ALA 68 3HB ALA 68 -25.932 -22.280 3.896 556 H LEU 69 H LEU 69 -25.396 -18.643 2.116 557 HA LEU 69 HA LEU 69 -26.323 -19.956 -0.287 558 1HB LEU 69 2HB LEU 69 -28.649 -20.155 0.116 559 2HB LEU 69 1HB LEU 69 -27.898 -20.779 1.579 560 HG LEU 69 HG LEU 69 -28.163 -18.049 2.085 561 1HD1 LEU 69 1HD1 LEU 69 -30.115 -17.253 1.202 562 2HD1 LEU 69 2HD1 LEU 69 -30.908 -18.825 1.286 563 3HD1 LEU 69 3HD1 LEU 69 -29.815 -18.459 -0.048 564 1HD2 LEU 69 1HD2 LEU 69 -28.543 -19.954 3.642 565 2HD2 LEU 69 2HD2 LEU 69 -30.059 -20.306 2.813 566 3HD2 LEU 69 3HD2 LEU 69 -29.868 -18.790 3.693 567 H GLU 70 H GLU 70 -24.827 -17.642 0.159 568 HA GLU 70 HA GLU 70 -26.217 -15.717 -1.456 569 1HB GLU 70 2HB GLU 70 -26.130 -14.014 0.576 570 2HB GLU 70 1HB GLU 70 -27.536 -15.006 0.260 571 1HG GLU 70 2HG GLU 70 -26.630 -14.931 2.678 572 2HG GLU 70 1HG GLU 70 -27.045 -16.497 2.006 573 H ILE 71 H ILE 71 -23.703 -16.883 -1.695 574 HA ILE 71 HA ILE 71 -21.595 -15.422 -0.476 575 HB ILE 71 HB ILE 71 -20.198 -16.672 -1.823 576 1HG1 ILE 71 2HG1 ILE 71 -21.319 -17.555 -4.126 577 2HG1 ILE 71 1HG1 ILE 71 -22.150 -16.008 -3.955 578 1HG2 ILE 71 1HG2 ILE 71 -20.990 -18.805 -1.694 579 2HG2 ILE 71 2HG2 ILE 71 -22.521 -18.398 -2.469 580 3HG2 ILE 71 3HG2 ILE 71 -22.260 -18.002 -0.770 581 1HD1 ILE 71 1HD1 ILE 71 -20.285 -14.861 -4.516 582 2HD1 ILE 71 2HD1 ILE 71 -19.548 -16.404 -4.942 583 3HD1 ILE 71 3HD1 ILE 71 -19.321 -15.737 -3.326 584 H ALA 72 H ALA 72 -19.937 -14.306 -2.175 585 HA ALA 72 HA ALA 72 -21.179 -12.526 -4.115 586 1HB ALA 72 1HB ALA 72 -20.017 -10.853 -2.069 587 2HB ALA 72 2HB ALA 72 -21.250 -11.890 -1.363 588 3HB ALA 72 3HB ALA 72 -21.657 -10.825 -2.708 589 HA PRO 73 HA PRO 73 -16.784 -12.510 -5.030 590 1HB PRO 73 2HB PRO 73 -17.028 -11.384 -7.512 591 2HB PRO 73 1HB PRO 73 -17.520 -13.052 -7.163 592 1HG PRO 73 2HG PRO 73 -19.179 -10.737 -7.760 593 2HG PRO 73 1HG PRO 73 -19.615 -12.448 -7.725 594 1HD PRO 73 2HD PRO 73 -20.043 -10.412 -5.681 595 2HD PRO 73 1HD PRO 73 -20.708 -12.056 -5.782 596 H SER 74 H SER 74 -17.007 -10.463 -3.256 597 HA SER 74 HA SER 74 -16.979 -7.785 -4.039 598 1HB SER 74 2HB SER 74 -16.962 -8.739 -1.718 599 2HB SER 74 1HB SER 74 -15.228 -8.976 -1.910 600 HG SER 74 HG SER 74 -15.466 -6.993 -1.003 601 H VAL 75 H VAL 75 -15.290 -6.257 -4.304 602 HA VAL 75 HA VAL 75 -13.335 -7.083 -6.230 603 HB VAL 75 HB VAL 75 -14.480 -4.699 -5.203 604 1HG1 VAL 75 1HG1 VAL 75 -12.365 -4.552 -3.836 605 2HG1 VAL 75 2HG1 VAL 75 -12.568 -3.225 -4.979 606 3HG1 VAL 75 3HG1 VAL 75 -11.457 -4.543 -5.348 607 1HG2 VAL 75 1HG2 VAL 75 -12.484 -5.071 -7.444 608 2HG2 VAL 75 2HG2 VAL 75 -13.643 -3.754 -7.280 609 3HG2 VAL 75 3HG2 VAL 75 -14.210 -5.397 -7.580 610 H GLY 76 H GLY 76 -11.130 -7.174 -6.025 611 1HA GLY 76 2HA GLY 76 -10.138 -7.651 -3.245 612 2HA GLY 76 1HA GLY 76 -9.538 -8.523 -4.659 613 H VAL 77 H VAL 77 -9.568 -5.424 -3.027 614 HA VAL 77 HA VAL 77 -8.163 -3.741 -4.697 615 HB VAL 77 HB VAL 77 -8.983 -3.085 -2.514 616 1HG1 VAL 77 1HG1 VAL 77 -8.522 -5.333 -1.444 617 2HG1 VAL 77 2HG1 VAL 77 -8.106 -3.947 -0.440 618 3HG1 VAL 77 3HG1 VAL 77 -6.840 -4.837 -1.280 619 1HG2 VAL 77 1HG2 VAL 77 -7.232 -1.630 -3.080 620 2HG2 VAL 77 2HG2 VAL 77 -6.005 -2.883 -2.915 621 3HG2 VAL 77 3HG2 VAL 77 -6.755 -2.192 -1.480 622 H SER 78 H SER 78 -6.751 -5.006 -6.002 623 HA SER 78 HA SER 78 -4.631 -6.666 -5.077 624 1HB SER 78 2HB SER 78 -5.649 -5.683 -7.494 625 2HB SER 78 1HB SER 78 -3.988 -5.102 -7.455 626 HG SER 78 HG SER 78 -3.828 -7.114 -8.264 627 H VAL 79 H VAL 79 -2.296 -5.569 -6.147 628 HA VAL 79 HA VAL 79 -1.619 -2.926 -5.240 629 HB VAL 79 HB VAL 79 -2.156 -3.884 -3.046 630 1HG1 VAL 79 1HG1 VAL 79 -0.458 -5.855 -2.402 631 2HG1 VAL 79 2HG1 VAL 79 -0.560 -6.158 -4.136 632 3HG1 VAL 79 3HG1 VAL 79 -2.021 -6.183 -3.150 633 1HG2 VAL 79 1HG2 VAL 79 -0.040 -2.449 -3.354 634 2HG2 VAL 79 2HG2 VAL 79 0.857 -3.960 -3.224 635 3HG2 VAL 79 3HG2 VAL 79 -0.144 -3.411 -1.881 636 H LYS 80 H LYS 80 0.977 -2.910 -4.921 637 HA LYS 80 HA LYS 80 2.188 -5.068 -6.554 638 1HB LYS 80 2HB LYS 80 1.627 -2.343 -7.318 639 2HB LYS 80 1HB LYS 80 3.369 -2.605 -7.321 640 1HG LYS 80 2HG LYS 80 2.312 -4.915 -8.502 641 2HG LYS 80 1HG LYS 80 1.344 -3.600 -9.166 642 1HD LYS 80 2HD LYS 80 4.227 -3.008 -9.048 643 2HD LYS 80 1HD LYS 80 3.816 -4.354 -10.111 644 1HE LYS 80 2HE LYS 80 3.099 -2.887 -11.676 645 2HE LYS 80 1HE LYS 80 1.894 -2.259 -10.536 646 1HZ LYS 80 1HZ LYS 80 4.763 -1.484 -10.604 647 2HZ LYS 80 2HZ LYS 80 3.596 -0.882 -9.528 648 3HZ LYS 80 3HZ LYS 80 3.485 -0.536 -11.189 649 HA PRO 81 HA PRO 81 5.701 -4.231 -3.907 650 1HB PRO 81 2HB PRO 81 7.542 -5.476 -5.503 651 2HB PRO 81 1HB PRO 81 6.217 -6.371 -4.731 652 1HG PRO 81 2HG PRO 81 6.618 -5.828 -7.539 653 2HG PRO 81 1HG PRO 81 5.378 -6.831 -6.772 654 1HD PRO 81 2HD PRO 81 5.211 -3.995 -7.654 655 2HD PRO 81 1HD PRO 81 3.913 -5.195 -7.440 656 H GLY 82 H GLY 82 5.798 -1.767 -4.325 657 1HA GLY 82 2HA GLY 82 7.006 -0.647 -6.588 658 2HA GLY 82 1HA GLY 82 7.036 0.107 -4.997 659 H GLU 83 H GLU 83 8.856 -1.567 -7.383 660 HA GLU 83 HA GLU 83 11.061 -2.533 -5.871 661 1HB GLU 83 2HB GLU 83 12.244 -2.378 -8.005 662 2HB GLU 83 1HB GLU 83 10.589 -2.908 -8.300 663 1HG GLU 83 2HG GLU 83 10.155 -0.297 -8.533 664 2HG GLU 83 1HG GLU 83 11.877 -0.277 -8.917 665 H SER 84 H SER 84 10.094 0.707 -6.829 666 HA SER 84 HA SER 84 12.556 2.092 -6.291 667 1HB SER 84 2HB SER 84 10.074 2.731 -7.228 668 2HB SER 84 1HB SER 84 9.946 3.345 -5.582 669 HG SER 84 HG SER 84 10.814 4.862 -7.127 670 H LEU 85 H LEU 85 9.916 0.856 -4.338 671 HA LEU 85 HA LEU 85 10.874 2.017 -1.814 672 1HB LEU 85 2HB LEU 85 8.502 1.684 -2.114 673 2HB LEU 85 1HB LEU 85 8.738 0.034 -2.671 674 HG LEU 85 HG LEU 85 9.838 0.573 0.008 675 1HD1 LEU 85 1HD1 LEU 85 6.867 0.259 -0.097 676 2HD1 LEU 85 2HD1 LEU 85 7.535 1.873 -0.328 677 3HD1 LEU 85 3HD1 LEU 85 7.872 0.984 1.158 678 1HD2 LEU 85 1HD2 LEU 85 7.819 -1.514 -0.806 679 2HD2 LEU 85 2HD2 LEU 85 9.090 -1.629 0.411 680 3HD2 LEU 85 3HD2 LEU 85 9.505 -1.653 -1.303 681 H LYS 86 H LYS 86 10.874 -1.095 -3.511 682 HA LYS 86 HA LYS 86 12.180 -2.608 -1.430 683 1HB LYS 86 2HB LYS 86 11.009 -2.995 -3.976 684 2HB LYS 86 1HB LYS 86 12.674 -3.550 -4.127 685 1HG LYS 86 2HG LYS 86 12.404 -5.072 -2.270 686 2HG LYS 86 1HG LYS 86 10.807 -4.416 -1.906 687 1HD LYS 86 2HD LYS 86 10.167 -6.243 -3.163 688 2HD LYS 86 1HD LYS 86 10.373 -5.068 -4.462 689 1HE LYS 86 2HE LYS 86 12.324 -6.049 -5.225 690 2HE LYS 86 1HE LYS 86 12.785 -6.626 -3.611 691 1HZ LYS 86 1HZ LYS 86 10.589 -7.678 -5.315 692 2HZ LYS 86 2HZ LYS 86 10.856 -8.143 -3.702 693 3HZ LYS 86 3HZ LYS 86 12.018 -8.488 -4.892 694 H LYS 87 H LYS 87 13.315 -1.033 -4.378 695 HA LYS 87 HA LYS 87 16.087 -1.683 -4.061 696 1HB LYS 87 2HB LYS 87 15.136 -0.933 -6.186 697 2HB LYS 87 1HB LYS 87 14.595 0.576 -5.451 698 1HG LYS 87 2HG LYS 87 17.479 0.050 -5.128 699 2HG LYS 87 1HG LYS 87 16.969 0.265 -6.802 700 1HD LYS 87 2HD LYS 87 15.688 2.341 -5.942 701 2HD LYS 87 1HD LYS 87 16.691 2.192 -4.498 702 1HE LYS 87 2HE LYS 87 18.535 2.990 -5.572 703 2HE LYS 87 1HE LYS 87 18.220 2.005 -7.015 704 1HZ LYS 87 1HZ LYS 87 17.915 4.477 -7.304 705 2HZ LYS 87 2HZ LYS 87 16.562 4.353 -6.283 706 3HZ LYS 87 3HZ LYS 87 16.594 3.518 -7.762 707 H ALA 88 H ALA 88 13.977 0.916 -2.964 708 HA ALA 88 HA ALA 88 16.044 2.496 -1.694 709 1HB ALA 88 1HB ALA 88 13.758 3.298 -2.279 710 2HB ALA 88 2HB ALA 88 14.078 3.499 -0.560 711 3HB ALA 88 3HB ALA 88 13.074 2.161 -1.118 712 H ALA 89 H ALA 89 13.963 -0.228 -0.855 713 HA ALA 89 HA ALA 89 14.559 -0.433 1.926 714 1HB ALA 89 1HB ALA 89 14.247 -2.880 0.253 715 2HB ALA 89 2HB ALA 89 12.939 -1.711 0.193 716 3HB ALA 89 3HB ALA 89 13.403 -2.439 1.731 717 H GLU 90 H GLU 90 16.374 -1.382 -0.939 718 HA GLU 90 HA GLU 90 18.354 -2.956 0.451 719 1HB GLU 90 2HB GLU 90 19.240 -3.130 -1.668 720 2HB GLU 90 1HB GLU 90 17.716 -2.397 -2.156 721 1HG GLU 90 2HG GLU 90 19.293 -1.034 -3.223 722 2HG GLU 90 1HG GLU 90 18.971 -0.131 -1.747 723 H GLY 91 H GLY 91 17.788 0.443 -0.122 724 1HA GLY 91 2HA GLY 91 20.345 1.418 0.758 725 2HA GLY 91 1HA GLY 91 18.851 2.354 0.727 726 H LEU 92 H LEU 92 17.388 0.438 2.520 727 HA LEU 92 HA LEU 92 17.985 1.666 5.018 728 1HB LEU 92 2HB LEU 92 16.277 0.291 5.835 729 2HB LEU 92 1HB LEU 92 15.937 0.304 4.114 730 HG LEU 92 HG LEU 92 17.482 -1.834 4.093 731 1HD1 LEU 92 1HD1 LEU 92 16.303 -2.459 6.716 732 2HD1 LEU 92 2HD1 LEU 92 17.590 -1.255 6.783 733 3HD1 LEU 92 3HD1 LEU 92 17.904 -2.844 6.085 734 1HD2 LEU 92 1HD2 LEU 92 14.715 -2.040 5.288 735 2HD2 LEU 92 2HD2 LEU 92 15.511 -3.178 4.201 736 3HD2 LEU 92 3HD2 LEU 92 14.989 -1.602 3.602 737 H LYS 93 H LYS 93 19.057 -1.476 3.784 738 HA LYS 93 HA LYS 93 21.608 -1.591 4.910 739 1HB LYS 93 2HB LYS 93 19.483 -1.801 6.895 740 2HB LYS 93 1HB LYS 93 20.451 -3.271 6.874 741 1HG LYS 93 2HG LYS 93 22.427 -1.428 6.745 742 2HG LYS 93 1HG LYS 93 21.222 -0.510 7.649 743 1HD LYS 93 2HD LYS 93 21.354 -3.218 8.653 744 2HD LYS 93 1HD LYS 93 22.962 -2.497 8.652 745 1HE LYS 93 2HE LYS 93 22.434 -1.206 10.436 746 2HE LYS 93 1HE LYS 93 21.001 -0.573 9.602 747 1HZ LYS 93 1HZ LYS 93 21.144 -3.263 10.854 748 2HZ LYS 93 2HZ LYS 93 19.771 -2.516 10.190 749 3HZ LYS 93 3HZ LYS 93 20.468 -1.905 11.614 750 H TYR 94 H TYR 94 20.306 -2.525 2.670 751 HA TYR 94 HA TYR 94 19.240 -5.011 2.376 752 1HB TYR 94 2HB TYR 94 20.293 -3.184 0.776 753 2HB TYR 94 1HB TYR 94 21.621 -4.333 0.720 754 HD1 TYR 94 HD1 TYR 94 21.535 -5.630 -1.180 755 HD2 TYR 94 HD2 TYR 94 17.867 -4.702 0.841 756 HE1 TYR 94 HE1 TYR 94 20.282 -6.976 -2.820 757 HE2 TYR 94 HE2 TYR 94 16.650 -6.054 -0.822 758 HH TYR 94 HH TYR 94 17.147 -6.702 -3.376 759 H GLU 95 H GLU 95 22.782 -4.812 1.984 760 HA GLU 95 HA GLU 95 23.289 -7.535 2.276 761 1HB GLU 95 2HB GLU 95 24.990 -5.187 3.152 762 2HB GLU 95 1HB GLU 95 25.591 -6.811 2.820 763 1HG GLU 95 2HG GLU 95 24.202 -6.308 0.528 764 2HG GLU 95 1HG GLU 95 24.764 -4.687 0.934 765 H ASP 96 H ASP 96 23.127 -5.061 4.819 766 HA ASP 96 HA ASP 96 23.841 -6.739 7.037 767 1HB ASP 96 2HB ASP 96 22.141 -4.257 6.675 768 2HB ASP 96 1HB ASP 96 22.434 -4.957 8.268 769 H PHE 97 H PHE 97 20.872 -6.202 5.253 770 HA PHE 97 HA PHE 97 19.207 -7.846 7.057 771 1HB PHE 97 2HB PHE 97 18.831 -5.740 5.306 772 2HB PHE 97 1HB PHE 97 18.269 -7.110 4.353 773 HD1 PHE 97 HD1 PHE 97 17.050 -8.903 6.260 774 HD2 PHE 97 HD2 PHE 97 16.992 -4.610 6.163 775 HE1 PHE 97 HE1 PHE 97 14.907 -8.903 7.508 776 HE2 PHE 97 HE2 PHE 97 14.851 -4.608 7.414 777 HZ PHE 97 HZ PHE 97 13.810 -6.757 8.089 778 H ALA 98 H ALA 98 21.184 -8.167 4.236 779 HA ALA 98 HA ALA 98 19.975 -10.566 3.132 780 1HB ALA 98 1HB ALA 98 22.819 -9.814 2.639 781 2HB ALA 98 2HB ALA 98 21.603 -8.601 2.244 782 3HB ALA 98 3HB ALA 98 21.545 -10.188 1.479 783 H LYS 99 H LYS 99 22.639 -9.859 5.355 784 HA LYS 99 HA LYS 99 23.318 -12.748 5.560 785 1HB LYS 99 2HB LYS 99 24.527 -10.138 6.494 786 2HB LYS 99 1HB LYS 99 25.141 -11.693 7.060 787 1HG LYS 99 2HG LYS 99 25.582 -12.395 4.760 788 2HG LYS 99 1HG LYS 99 24.889 -10.893 4.146 789 1HD LYS 99 2HD LYS 99 27.166 -10.823 6.115 790 2HD LYS 99 1HD LYS 99 27.479 -11.053 4.394 791 1HE LYS 99 2HE LYS 99 26.192 -8.966 3.909 792 2HE LYS 99 1HE LYS 99 26.005 -8.712 5.655 793 1HZ LYS 99 1HZ LYS 99 27.959 -7.556 4.966 794 2HZ LYS 99 2HZ LYS 99 28.548 -8.915 4.133 795 3HZ LYS 99 3HZ LYS 99 28.461 -8.927 5.829 796 1H MET 1 1H MET 1 -6.085 7.030 -11.124 797 2H MET 1 2H MET 1 -4.883 6.014 -10.485 798 3H MET 1 3H MET 1 -4.619 6.823 -11.954 799 HA MET 1 HA MET 1 -4.629 8.958 -10.823 800 1HB MET 1 2HB MET 1 -5.587 7.097 -8.703 801 2HB MET 1 1HB MET 1 -4.604 8.459 -8.173 802 1HG MET 1 2HG MET 1 -6.161 10.032 -8.875 803 2HG MET 1 1HG MET 1 -6.835 8.961 -10.105 804 1HE MET 1 1HE MET 1 -6.100 9.731 -6.705 805 2HE MET 1 2HE MET 1 -6.972 8.602 -5.672 806 3HE MET 1 3HE MET 1 -7.739 10.111 -6.160 807 H ASN 2 H ASN 2 -2.679 9.661 -9.344 808 HA ASN 2 HA ASN 2 -0.670 7.678 -8.736 809 1HB ASN 2 2HB ASN 2 0.875 8.234 -10.578 810 2HB ASN 2 1HB ASN 2 -0.657 7.629 -11.204 811 1HD2 ASN 2 1HD2 ASN 2 -2.047 9.121 -12.342 812 2HD2 ASN 2 2HD2 ASN 2 -1.542 10.684 -12.765 813 H LYS 3 H LYS 3 1.636 9.303 -9.211 814 HA LYS 3 HA LYS 3 1.787 10.860 -6.859 815 1HB LYS 3 2HB LYS 3 3.459 9.976 -8.877 816 2HB LYS 3 1HB LYS 3 3.502 11.724 -9.092 817 1HG LYS 3 2HG LYS 3 4.675 12.047 -7.173 818 2HG LYS 3 1HG LYS 3 3.699 10.886 -6.278 819 1HD LYS 3 2HD LYS 3 4.988 9.037 -7.058 820 2HD LYS 3 1HD LYS 3 5.746 10.001 -8.322 821 1HE LYS 3 2HE LYS 3 6.166 10.578 -5.358 822 2HE LYS 3 1HE LYS 3 7.257 9.550 -6.306 823 1HZ LYS 3 1HZ LYS 3 7.341 11.404 -7.965 824 2HZ LYS 3 2HZ LYS 3 8.084 11.750 -6.477 825 3HZ LYS 3 3HZ LYS 3 6.551 12.388 -6.832 826 H THR 4 H THR 4 -0.005 11.634 -9.634 827 HA THR 4 HA THR 4 0.108 14.561 -8.950 828 HB THR 4 HB THR 4 -0.358 13.186 -11.620 829 HG1 THR 4 HG1 THR 4 1.794 13.116 -11.009 830 1HG2 THR 4 1HG2 THR 4 -1.504 15.153 -11.930 831 2HG2 THR 4 2HG2 THR 4 0.125 15.747 -12.253 832 3HG2 THR 4 3HG2 THR 4 -0.607 15.997 -10.667 833 H GLU 5 H GLU 5 -1.911 11.899 -10.178 834 HA GLU 5 HA GLU 5 -4.398 13.320 -10.096 835 1HB GLU 5 2HB GLU 5 -3.465 10.847 -10.886 836 2HB GLU 5 1HB GLU 5 -4.465 10.446 -9.492 837 1HG GLU 5 2HG GLU 5 -6.121 10.464 -11.089 838 2HG GLU 5 1HG GLU 5 -6.122 12.185 -10.704 839 H LEU 6 H LEU 6 -2.944 11.017 -7.756 840 HA LEU 6 HA LEU 6 -4.880 11.421 -5.681 841 1HB LEU 6 2HB LEU 6 -1.918 10.743 -5.561 842 2HB LEU 6 1HB LEU 6 -3.064 10.489 -4.245 843 HG LEU 6 HG LEU 6 -3.648 9.330 -6.949 844 1HD1 LEU 6 1HD1 LEU 6 -2.490 7.225 -6.098 845 2HD1 LEU 6 2HD1 LEU 6 -1.723 8.245 -4.882 846 3HD1 LEU 6 3HD1 LEU 6 -1.416 8.532 -6.595 847 1HD2 LEU 6 1HD2 LEU 6 -5.080 7.928 -5.756 848 2HD2 LEU 6 2HD2 LEU 6 -5.149 9.389 -4.772 849 3HD2 LEU 6 3HD2 LEU 6 -4.125 8.042 -4.280 850 H ILE 7 H ILE 7 -2.066 13.269 -6.703 851 HA ILE 7 HA ILE 7 -1.669 14.930 -4.439 852 HB ILE 7 HB ILE 7 -1.262 15.045 -7.390 853 1HG1 ILE 7 2HG1 ILE 7 0.422 15.462 -4.924 854 2HG1 ILE 7 1HG1 ILE 7 0.467 14.102 -6.036 855 1HG2 ILE 7 1HG2 ILE 7 -1.826 17.436 -5.808 856 2HG2 ILE 7 2HG2 ILE 7 -1.670 17.260 -7.553 857 3HG2 ILE 7 3HG2 ILE 7 -0.235 17.491 -6.558 858 1HD1 ILE 7 1HD1 ILE 7 1.094 15.805 -7.851 859 2HD1 ILE 7 2HD1 ILE 7 2.330 15.445 -6.646 860 3HD1 ILE 7 3HD1 ILE 7 1.390 16.933 -6.529 861 H LYS 8 H LYS 8 -3.711 15.495 -7.300 862 HA LYS 8 HA LYS 8 -5.108 17.775 -6.343 863 1HB LYS 8 2HB LYS 8 -6.167 15.506 -8.062 864 2HB LYS 8 1HB LYS 8 -6.754 17.166 -8.049 865 1HG LYS 8 2HG LYS 8 -4.590 17.959 -8.905 866 2HG LYS 8 1HG LYS 8 -3.964 16.311 -8.887 867 1HD LYS 8 2HD LYS 8 -6.237 17.382 -10.581 868 2HD LYS 8 1HD LYS 8 -4.674 16.791 -11.145 869 1HE LYS 8 2HE LYS 8 -5.576 14.629 -9.703 870 2HE LYS 8 1HE LYS 8 -7.084 15.262 -10.387 871 1HZ LYS 8 1HZ LYS 8 -6.181 13.906 -12.061 872 2HZ LYS 8 2HZ LYS 8 -4.606 14.498 -11.821 873 3HZ LYS 8 3HZ LYS 8 -5.789 15.487 -12.535 874 H ALA 9 H ALA 9 -5.573 14.291 -5.792 875 HA ALA 9 HA ALA 9 -8.128 14.292 -4.589 876 1HB ALA 9 1HB ALA 9 -7.487 12.188 -3.854 877 2HB ALA 9 2HB ALA 9 -5.872 12.730 -3.397 878 3HB ALA 9 3HB ALA 9 -6.267 12.466 -5.095 879 H ILE 10 H ILE 10 -4.946 15.169 -3.203 880 HA ILE 10 HA ILE 10 -6.250 15.848 -0.631 881 HB ILE 10 HB ILE 10 -3.516 15.331 -1.724 882 1HG1 ILE 10 2HG1 ILE 10 -3.231 14.264 0.484 883 2HG1 ILE 10 1HG1 ILE 10 -4.803 14.888 0.984 884 1HG2 ILE 10 1HG2 ILE 10 -2.471 16.512 0.258 885 2HG2 ILE 10 2HG2 ILE 10 -4.017 17.320 0.505 886 3HG2 ILE 10 3HG2 ILE 10 -3.112 17.587 -0.984 887 1HD1 ILE 10 1HD1 ILE 10 -5.149 12.620 0.265 888 2HD1 ILE 10 2HD1 ILE 10 -4.236 12.889 -1.219 889 3HD1 ILE 10 3HD1 ILE 10 -5.806 13.662 -0.996 890 H ALA 11 H ALA 11 -4.824 17.234 -3.520 891 HA ALA 11 HA ALA 11 -4.733 19.942 -2.513 892 1HB ALA 11 1HB ALA 11 -3.859 20.292 -4.613 893 2HB ALA 11 2HB ALA 11 -5.193 19.453 -5.403 894 3HB ALA 11 3HB ALA 11 -3.857 18.532 -4.713 895 H GLN 12 H GLN 12 -7.308 17.844 -3.151 896 HA GLN 12 HA GLN 12 -9.166 20.143 -3.528 897 1HB GLN 12 2HB GLN 12 -10.451 18.786 -5.005 898 2HB GLN 12 1HB GLN 12 -8.784 18.424 -5.442 899 1HG GLN 12 2HG GLN 12 -8.898 16.448 -3.863 900 2HG GLN 12 1HG GLN 12 -10.625 16.760 -3.705 901 1HE2 GLN 12 1HE2 GLN 12 -10.299 14.352 -4.741 902 2HE2 GLN 12 2HE2 GLN 12 -10.445 14.315 -6.432 903 H ASP 13 H ASP 13 -8.710 16.925 -2.012 904 HA ASP 13 HA ASP 13 -11.166 17.095 -0.425 905 1HB ASP 13 2HB ASP 13 -8.571 15.519 -0.244 906 2HB ASP 13 1HB ASP 13 -9.901 15.287 0.889 907 H THR 14 H THR 14 -7.880 18.090 -0.276 908 HA THR 14 HA THR 14 -8.118 19.274 2.439 909 HB THR 14 HB THR 14 -5.559 19.439 1.048 910 HG1 THR 14 HG1 THR 14 -6.736 16.869 1.294 911 1HG2 THR 14 1HG2 THR 14 -6.533 18.923 3.603 912 2HG2 THR 14 2HG2 THR 14 -4.844 18.883 3.088 913 3HG2 THR 14 3HG2 THR 14 -5.803 17.406 3.092 914 H GLY 15 H GLY 15 -6.333 20.260 -0.482 915 1HA GLY 15 2HA GLY 15 -6.324 22.263 -1.707 916 2HA GLY 15 1HA GLY 15 -8.017 22.429 -1.252 917 H LEU 16 H LEU 16 -5.918 22.144 1.384 918 HA LEU 16 HA LEU 16 -6.545 24.591 2.627 919 1HB LEU 16 2HB LEU 16 -4.099 22.809 2.728 920 2HB LEU 16 1HB LEU 16 -4.377 24.127 3.868 921 HG LEU 16 HG LEU 16 -6.763 22.900 3.999 922 1HD1 LEU 16 1HD1 LEU 16 -5.114 21.065 2.596 923 2HD1 LEU 16 2HD1 LEU 16 -6.760 20.828 3.174 924 3HD1 LEU 16 3HD1 LEU 16 -5.397 20.417 4.206 925 1HD2 LEU 16 1HD2 LEU 16 -4.521 23.226 5.646 926 2HD2 LEU 16 2HD2 LEU 16 -4.823 21.491 5.684 927 3HD2 LEU 16 3HD2 LEU 16 -6.091 22.615 6.164 928 H THR 17 H THR 17 -3.419 23.834 1.176 929 HA THR 17 HA THR 17 -3.260 26.569 0.028 930 HB THR 17 HB THR 17 -2.167 25.866 2.437 931 HG1 THR 17 HG1 THR 17 -2.251 27.948 1.377 932 1HG2 THR 17 1HG2 THR 17 -0.023 25.409 0.342 933 2HG2 THR 17 2HG2 THR 17 -0.685 24.203 1.443 934 3HG2 THR 17 3HG2 THR 17 0.258 25.548 2.073 935 H GLN 18 H GLN 18 -3.252 23.383 -0.609 936 HA GLN 18 HA GLN 18 -2.238 22.025 -2.250 937 1HB GLN 18 2HB GLN 18 -1.193 24.636 -3.389 938 2HB GLN 18 1HB GLN 18 -1.610 23.166 -4.272 939 1HG GLN 18 2HG GLN 18 -4.000 23.615 -3.198 940 2HG GLN 18 1HG GLN 18 -3.407 25.275 -3.145 941 1HE2 GLN 18 1HE2 GLN 18 -5.128 25.703 -4.843 942 2HE2 GLN 18 2HE2 GLN 18 -4.778 25.342 -6.465 943 H VAL 19 H VAL 19 -1.022 22.987 0.214 944 HA VAL 19 HA VAL 19 1.311 23.644 0.894 945 HB VAL 19 HB VAL 19 0.369 21.906 2.170 946 1HG1 VAL 19 1HG1 VAL 19 0.467 19.475 0.975 947 2HG1 VAL 19 2HG1 VAL 19 0.168 20.508 -0.423 948 3HG1 VAL 19 3HG1 VAL 19 -0.948 20.525 0.943 949 1HG2 VAL 19 1HG2 VAL 19 3.034 21.384 1.186 950 2HG2 VAL 19 2HG2 VAL 19 2.226 19.884 1.622 951 3HG2 VAL 19 3HG2 VAL 19 2.388 21.175 2.810 952 H SER 20 H SER 20 2.111 20.606 -0.471 953 HA SER 20 HA SER 20 3.730 21.832 -2.596 954 1HB SER 20 2HB SER 20 5.650 21.061 -1.618 955 2HB SER 20 1HB SER 20 4.685 20.967 -0.153 956 HG SER 20 HG SER 20 4.254 18.846 -0.591 957 H VAL 21 H VAL 21 1.115 20.313 -2.243 958 HA VAL 21 HA VAL 21 0.517 17.884 -2.698 959 HB VAL 21 HB VAL 21 -0.596 18.449 -4.846 960 1HG1 VAL 21 1HG1 VAL 21 -0.744 20.819 -3.003 961 2HG1 VAL 21 2HG1 VAL 21 -1.333 19.237 -2.496 962 3HG1 VAL 21 3HG1 VAL 21 -2.050 20.039 -3.893 963 1HG2 VAL 21 1HG2 VAL 21 1.091 19.757 -5.952 964 2HG2 VAL 21 2HG2 VAL 21 1.158 20.901 -4.612 965 3HG2 VAL 21 3HG2 VAL 21 -0.270 20.835 -5.644 966 H SER 22 H SER 22 2.750 19.491 -4.794 967 HA SER 22 HA SER 22 3.371 17.083 -6.374 968 1HB SER 22 2HB SER 22 4.397 19.906 -6.156 969 2HB SER 22 1HB SER 22 5.265 18.719 -7.127 970 HG SER 22 HG SER 22 2.501 19.335 -7.368 971 H LYS 23 H LYS 23 4.907 18.894 -3.741 972 HA LYS 23 HA LYS 23 7.144 16.993 -3.660 973 1HB LYS 23 2HB LYS 23 6.405 19.617 -2.510 974 2HB LYS 23 1HB LYS 23 7.520 18.636 -1.563 975 1HG LYS 23 2HG LYS 23 9.114 18.580 -3.306 976 2HG LYS 23 1HG LYS 23 7.938 19.103 -4.512 977 1HD LYS 23 2HD LYS 23 9.002 20.787 -2.222 978 2HD LYS 23 1HD LYS 23 9.430 20.966 -3.923 979 1HE LYS 23 2HE LYS 23 6.616 21.020 -3.894 980 2HE LYS 23 1HE LYS 23 7.114 22.021 -2.516 981 1HZ LYS 23 1HZ LYS 23 8.784 23.052 -4.033 982 2HZ LYS 23 2HZ LYS 23 7.171 23.397 -4.440 983 3HZ LYS 23 3HZ LYS 23 8.046 22.242 -5.327 984 H MET 24 H MET 24 4.079 17.533 -1.891 985 HA MET 24 HA MET 24 5.007 15.913 0.349 986 1HB MET 24 2HB MET 24 2.281 15.790 0.549 987 2HB MET 24 1HB MET 24 3.268 17.075 1.218 988 1HG MET 24 2HG MET 24 2.406 18.610 -0.204 989 2HG MET 24 1HG MET 24 2.550 17.531 -1.594 990 1HE MET 24 1HE MET 24 -0.330 15.204 -1.427 991 2HE MET 24 2HE MET 24 1.400 15.153 -1.101 992 3HE MET 24 3HE MET 24 0.804 16.031 -2.505 993 H LEU 25 H LEU 25 3.082 15.265 -2.645 994 HA LEU 25 HA LEU 25 2.790 12.437 -1.904 995 1HB LEU 25 2HB LEU 25 2.431 14.088 -4.403 996 2HB LEU 25 1HB LEU 25 2.307 12.333 -4.457 997 HG LEU 25 HG LEU 25 0.427 14.322 -3.356 998 1HD1 LEU 25 1HD1 LEU 25 0.286 12.430 -5.250 999 2HD1 LEU 25 2HD1 LEU 25 -1.127 12.935 -4.327 1000 3HD1 LEU 25 3HD1 LEU 25 -0.259 11.470 -3.877 1001 1HD2 LEU 25 1HD2 LEU 25 -0.446 12.771 -1.618 1002 2HD2 LEU 25 2HD2 LEU 25 1.181 13.328 -1.229 1003 3HD2 LEU 25 3HD2 LEU 25 0.938 11.712 -1.888 1004 H ALA 26 H ALA 26 4.980 14.407 -3.892 1005 HA ALA 26 HA ALA 26 6.615 12.282 -4.888 1006 1HB ALA 26 1HB ALA 26 7.146 15.179 -4.176 1007 2HB ALA 26 2HB ALA 26 6.776 14.530 -5.773 1008 3HB ALA 26 3HB ALA 26 8.324 14.166 -5.009 1009 H SER 27 H SER 27 6.478 14.030 -1.844 1010 HA SER 27 HA SER 27 8.900 12.822 -0.743 1011 1HB SER 27 2HB SER 27 6.603 14.485 0.300 1012 2HB SER 27 1HB SER 27 7.845 13.857 1.378 1013 HG SER 27 HG SER 27 8.118 16.041 0.321 1014 H PHE 28 H PHE 28 5.418 12.253 -0.692 1015 HA PHE 28 HA PHE 28 5.277 10.298 1.382 1016 1HB PHE 28 2HB PHE 28 3.203 11.005 0.729 1017 2HB PHE 28 1HB PHE 28 3.707 11.245 -0.936 1018 HD1 PHE 28 HD1 PHE 28 2.621 8.664 1.535 1019 HD2 PHE 28 HD2 PHE 28 3.366 9.529 -2.608 1020 HE1 PHE 28 HE1 PHE 28 1.387 6.644 0.882 1021 HE2 PHE 28 HE2 PHE 28 2.138 7.503 -3.253 1022 HZ PHE 28 HZ PHE 28 1.139 6.047 -1.502 1023 H GLU 29 H GLU 29 5.682 9.862 -2.148 1024 HA GLU 29 HA GLU 29 6.062 7.005 -1.907 1025 1HB GLU 29 2HB GLU 29 6.342 9.179 -3.957 1026 2HB GLU 29 1HB GLU 29 7.005 7.578 -4.300 1027 1HG GLU 29 2HG GLU 29 4.964 6.679 -4.549 1028 2HG GLU 29 1HG GLU 29 4.382 7.433 -3.077 1029 H LYS 30 H LYS 30 7.984 9.895 -1.936 1030 HA LYS 30 HA LYS 30 10.575 8.612 -2.027 1031 1HB LYS 30 2HB LYS 30 10.219 10.978 -2.592 1032 2HB LYS 30 1HB LYS 30 9.625 11.290 -0.962 1033 1HG LYS 30 2HG LYS 30 11.843 10.566 -0.064 1034 2HG LYS 30 1HG LYS 30 12.423 10.415 -1.723 1035 1HD LYS 30 2HD LYS 30 13.093 12.582 -1.308 1036 2HD LYS 30 1HD LYS 30 11.456 12.903 -1.882 1037 1HE LYS 30 2HE LYS 30 11.225 14.027 0.100 1038 2HE LYS 30 1HE LYS 30 11.032 12.408 0.802 1039 1HZ LYS 30 1HZ LYS 30 13.481 12.289 0.967 1040 2HZ LYS 30 2HZ LYS 30 12.815 13.519 1.933 1041 3HZ LYS 30 3HZ LYS 30 13.576 13.905 0.463 1042 H ILE 31 H ILE 31 8.129 9.071 0.449 1043 HA ILE 31 HA ILE 31 10.116 8.296 2.531 1044 HB ILE 31 HB ILE 31 8.353 9.024 4.067 1045 1HG1 ILE 31 2HG1 ILE 31 6.740 10.585 2.394 1046 2HG1 ILE 31 1HG1 ILE 31 6.749 8.952 1.745 1047 1HG2 ILE 31 1HG2 ILE 31 9.840 10.742 3.784 1048 2HG2 ILE 31 2HG2 ILE 31 8.408 11.510 3.102 1049 3HG2 ILE 31 3HG2 ILE 31 9.604 10.774 2.037 1050 1HD1 ILE 31 1HD1 ILE 31 5.195 9.803 3.855 1051 2HD1 ILE 31 2HD1 ILE 31 6.548 9.011 4.661 1052 3HD1 ILE 31 3HD1 ILE 31 5.579 8.123 3.487 1053 H ILE 32 H ILE 32 7.246 7.332 0.867 1054 HA ILE 32 HA ILE 32 6.596 5.034 2.512 1055 HB ILE 32 HB ILE 32 6.034 5.609 -0.408 1056 1HG1 ILE 32 2HG1 ILE 32 5.156 7.051 1.773 1057 2HG1 ILE 32 1HG1 ILE 32 4.256 6.884 0.269 1058 1HG2 ILE 32 1HG2 ILE 32 5.714 3.276 -0.007 1059 2HG2 ILE 32 2HG2 ILE 32 4.104 3.976 0.135 1060 3HG2 ILE 32 3HG2 ILE 32 5.015 3.558 1.584 1061 1HD1 ILE 32 1HD1 ILE 32 2.918 5.108 1.170 1062 2HD1 ILE 32 2HD1 ILE 32 2.948 6.376 2.394 1063 3HD1 ILE 32 3HD1 ILE 32 3.968 4.948 2.578 1064 H THR 33 H THR 33 8.243 5.510 -0.564 1065 HA THR 33 HA THR 33 9.224 2.822 -0.710 1066 HB THR 33 HB THR 33 9.137 5.226 -2.264 1067 HG1 THR 33 HG1 THR 33 8.531 3.537 -3.345 1068 1HG2 THR 33 1HG2 THR 33 11.451 5.626 -1.675 1069 2HG2 THR 33 2HG2 THR 33 11.366 5.079 -3.350 1070 3HG2 THR 33 3HG2 THR 33 11.872 3.963 -2.080 1071 H GLU 34 H GLU 34 10.521 5.935 0.409 1072 HA GLU 34 HA GLU 34 13.157 4.914 1.067 1073 1HB GLU 34 2HB GLU 34 11.517 7.364 1.694 1074 2HB GLU 34 1HB GLU 34 13.168 7.181 2.279 1075 1HG GLU 34 2HG GLU 34 12.342 6.990 -0.648 1076 2HG GLU 34 1HG GLU 34 13.081 8.413 0.089 1077 H THR 35 H THR 35 10.102 5.271 2.917 1078 HA THR 35 HA THR 35 11.206 4.855 5.536 1079 HB THR 35 HB THR 35 8.537 4.311 4.220 1080 HG1 THR 35 HG1 THR 35 9.405 5.973 6.350 1081 1HG2 THR 35 1HG2 THR 35 9.582 3.058 6.641 1082 2HG2 THR 35 2HG2 THR 35 8.099 2.713 5.757 1083 3HG2 THR 35 3HG2 THR 35 8.129 4.001 6.960 1084 H VAL 36 H VAL 36 9.923 2.558 3.120 1085 HA VAL 36 HA VAL 36 10.586 0.195 4.598 1086 HB VAL 36 HB VAL 36 9.879 1.019 1.884 1087 1HG1 VAL 36 1HG1 VAL 36 11.914 -1.206 2.174 1088 2HG1 VAL 36 2HG1 VAL 36 12.079 0.267 1.222 1089 3HG1 VAL 36 3HG1 VAL 36 10.916 -0.968 0.741 1090 1HG2 VAL 36 1HG2 VAL 36 9.644 -1.803 2.808 1091 2HG2 VAL 36 2HG2 VAL 36 8.435 -0.762 2.057 1092 3HG2 VAL 36 3HG2 VAL 36 8.820 -0.574 3.768 1093 H ALA 37 H ALA 37 12.455 2.432 2.601 1094 HA ALA 37 HA ALA 37 14.976 0.951 2.773 1095 1HB ALA 37 1HB ALA 37 14.188 2.599 0.992 1096 2HB ALA 37 2HB ALA 37 15.831 2.831 1.583 1097 3HB ALA 37 3HB ALA 37 14.534 3.870 2.156 1098 H LYS 38 H LYS 38 13.150 2.594 4.999 1099 HA LYS 38 HA LYS 38 15.550 3.477 6.556 1100 1HB LYS 38 2HB LYS 38 13.167 4.809 5.772 1101 2HB LYS 38 1HB LYS 38 13.022 4.515 7.506 1102 1HG LYS 38 2HG LYS 38 14.642 6.020 8.007 1103 2HG LYS 38 1HG LYS 38 15.691 5.449 6.710 1104 1HD LYS 38 2HD LYS 38 13.238 7.140 6.189 1105 2HD LYS 38 1HD LYS 38 14.832 7.842 6.467 1106 1HE LYS 38 2HE LYS 38 15.376 5.893 4.579 1107 2HE LYS 38 1HE LYS 38 13.790 6.500 4.067 1108 1HZ LYS 38 1HZ LYS 38 14.575 8.720 4.109 1109 2HZ LYS 38 2HZ LYS 38 15.734 7.826 3.246 1110 3HZ LYS 38 3HZ LYS 38 16.031 8.276 4.857 1111 H GLY 39 H GLY 39 13.203 1.144 6.250 1112 1HA GLY 39 2HA GLY 39 12.786 -0.690 7.612 1113 2HA GLY 39 1HA GLY 39 13.873 0.005 8.811 1114 H ASP 40 H ASP 40 10.840 1.254 7.361 1115 HA ASP 40 HA ASP 40 9.746 1.314 10.166 1116 1HB ASP 40 2HB ASP 40 10.352 3.457 8.318 1117 2HB ASP 40 1HB ASP 40 8.627 3.447 8.689 1118 H LYS 41 H LYS 41 8.007 0.004 10.236 1119 HA LYS 41 HA LYS 41 6.626 -0.971 7.895 1120 1HB LYS 41 2HB LYS 41 5.967 -1.001 10.860 1121 2HB LYS 41 1HB LYS 41 5.158 -1.990 9.644 1122 1HG LYS 41 2HG LYS 41 6.905 -3.437 9.475 1123 2HG LYS 41 1HG LYS 41 8.106 -2.150 9.590 1124 1HD LYS 41 2HD LYS 41 6.486 -3.078 11.970 1125 2HD LYS 41 1HD LYS 41 8.049 -3.781 11.550 1126 1HE LYS 41 2HE LYS 41 9.161 -1.640 11.807 1127 2HE LYS 41 1HE LYS 41 7.605 -0.812 12.023 1128 1HZ LYS 41 1HZ LYS 41 8.618 -1.333 14.165 1129 2HZ LYS 41 2HZ LYS 41 8.665 -2.982 13.759 1130 3HZ LYS 41 3HZ LYS 41 7.173 -2.195 13.956 1131 H VAL 42 H VAL 42 6.035 1.171 6.932 1132 HA VAL 42 HA VAL 42 4.212 2.978 8.275 1133 HB VAL 42 HB VAL 42 5.215 2.477 5.488 1134 1HG1 VAL 42 1HG1 VAL 42 2.693 3.884 6.207 1135 2HG1 VAL 42 2HG1 VAL 42 3.156 3.110 4.691 1136 3HG1 VAL 42 3HG1 VAL 42 3.762 4.720 5.080 1137 1HG2 VAL 42 1HG2 VAL 42 5.111 5.163 6.749 1138 2HG2 VAL 42 2HG2 VAL 42 6.414 4.392 5.847 1139 3HG2 VAL 42 3HG2 VAL 42 6.144 3.971 7.538 1140 H GLN 43 H GLN 43 1.902 3.081 8.082 1141 HA GLN 43 HA GLN 43 0.555 0.827 6.654 1142 1HB GLN 43 2HB GLN 43 0.006 1.611 9.531 1143 2HB GLN 43 1HB GLN 43 -0.645 0.221 8.666 1144 1HG GLN 43 2HG GLN 43 1.866 -0.434 8.344 1145 2HG GLN 43 1HG GLN 43 2.146 0.668 9.693 1146 1HE2 GLN 43 1HE2 GLN 43 2.316 -2.376 9.578 1147 2HE2 GLN 43 2HE2 GLN 43 1.292 -2.909 10.823 1148 H LEU 44 H LEU 44 -0.846 1.909 5.303 1149 HA LEU 44 HA LEU 44 -1.892 4.559 5.891 1150 1HB LEU 44 2HB LEU 44 -2.582 2.426 3.848 1151 2HB LEU 44 1HB LEU 44 -3.195 4.075 3.797 1152 HG LEU 44 HG LEU 44 -0.296 3.209 3.604 1153 1HD1 LEU 44 1HD1 LEU 44 -0.904 3.094 1.413 1154 2HD1 LEU 44 2HD1 LEU 44 -0.910 4.851 1.480 1155 3HD1 LEU 44 3HD1 LEU 44 -2.411 3.960 1.697 1156 1HD2 LEU 44 1HD2 LEU 44 -1.605 5.852 4.120 1157 2HD2 LEU 44 2HD2 LEU 44 -0.162 5.812 3.111 1158 3HD2 LEU 44 3HD2 LEU 44 -0.097 5.211 4.767 1159 H THR 45 H THR 45 -3.558 4.916 7.305 1160 HA THR 45 HA THR 45 -5.308 4.314 8.828 1161 HB THR 45 HB THR 45 -6.570 5.327 7.141 1162 HG1 THR 45 HG1 THR 45 -7.805 3.727 8.252 1163 1HG2 THR 45 1HG2 THR 45 -5.924 2.973 5.349 1164 2HG2 THR 45 2HG2 THR 45 -5.215 4.573 5.245 1165 3HG2 THR 45 3HG2 THR 45 -6.924 4.348 4.894 1166 H GLY 46 H GLY 46 -6.554 1.952 6.577 1167 1HA GLY 46 2HA GLY 46 -5.485 -0.254 8.243 1168 2HA GLY 46 1HA GLY 46 -7.229 -0.123 8.015 1169 H PHE 47 H PHE 47 -5.620 0.964 5.193 1170 HA PHE 47 HA PHE 47 -6.149 -1.706 3.991 1171 1HB PHE 47 2HB PHE 47 -6.579 -0.574 1.913 1172 2HB PHE 47 1HB PHE 47 -7.501 0.212 3.177 1173 HD1 PHE 47 HD1 PHE 47 -7.121 2.511 3.752 1174 HD2 PHE 47 HD2 PHE 47 -4.516 0.527 0.975 1175 HE1 PHE 47 HE1 PHE 47 -6.195 4.683 3.062 1176 HE2 PHE 47 HE2 PHE 47 -3.578 2.710 0.301 1177 HZ PHE 47 HZ PHE 47 -4.420 4.794 1.341 1178 H LEU 48 H LEU 48 -3.750 0.955 3.526 1179 HA LEU 48 HA LEU 48 -2.031 -1.070 2.303 1180 1HB LEU 48 2HB LEU 48 -2.503 1.649 2.007 1181 2HB LEU 48 1HB LEU 48 -0.875 1.540 2.669 1182 HG LEU 48 HG LEU 48 -1.096 1.421 0.137 1183 1HD1 LEU 48 1HD1 LEU 48 0.890 0.243 0.091 1184 2HD1 LEU 48 2HD1 LEU 48 0.236 -1.077 1.061 1185 3HD1 LEU 48 3HD1 LEU 48 0.746 0.421 1.839 1186 1HD2 LEU 48 1HD2 LEU 48 -2.980 -0.516 0.673 1187 2HD2 LEU 48 2HD2 LEU 48 -1.561 -1.483 0.282 1188 3HD2 LEU 48 3HD2 LEU 48 -2.175 -0.309 -0.881 1189 H ASN 49 H ASN 49 -0.072 -1.653 2.979 1190 HA ASN 49 HA ASN 49 0.858 -0.874 5.684 1191 1HB ASN 49 2HB ASN 49 -0.030 -3.468 4.556 1192 2HB ASN 49 1HB ASN 49 1.546 -3.542 5.340 1193 1HD2 ASN 49 1HD2 ASN 49 0.892 -4.620 7.278 1194 2HD2 ASN 49 2HD2 ASN 49 -0.187 -3.936 8.395 1195 H ILE 50 H ILE 50 3.167 -0.759 5.683 1196 HA ILE 50 HA ILE 50 4.522 -1.383 3.097 1197 HB ILE 50 HB ILE 50 4.496 1.181 4.685 1198 1HG1 ILE 50 2HG1 ILE 50 2.651 0.834 3.085 1199 2HG1 ILE 50 1HG1 ILE 50 3.717 2.130 2.545 1200 1HG2 ILE 50 1HG2 ILE 50 6.762 1.063 4.094 1201 2HG2 ILE 50 2HG2 ILE 50 6.060 1.920 2.722 1202 3HG2 ILE 50 3HG2 ILE 50 6.423 0.200 2.595 1203 1HD1 ILE 50 1HD1 ILE 50 4.828 -0.210 1.463 1204 2HD1 ILE 50 2HD1 ILE 50 3.920 1.025 0.590 1205 3HD1 ILE 50 3HD1 ILE 50 3.088 -0.387 1.238 1206 H LYS 51 H LYS 51 5.765 -3.121 3.929 1207 HA LYS 51 HA LYS 51 7.931 -2.316 5.793 1208 1HB LYS 51 2HB LYS 51 7.210 -3.674 7.485 1209 2HB LYS 51 1HB LYS 51 5.658 -3.660 6.657 1210 1HG LYS 51 2HG LYS 51 6.201 -5.713 5.480 1211 2HG LYS 51 1HG LYS 51 7.847 -5.690 6.113 1212 1HD LYS 51 2HD LYS 51 6.474 -5.570 8.436 1213 2HD LYS 51 1HD LYS 51 5.317 -6.470 7.455 1214 1HE LYS 51 2HE LYS 51 7.138 -8.071 6.831 1215 2HE LYS 51 1HE LYS 51 8.226 -7.208 7.936 1216 1HZ LYS 51 1HZ LYS 51 5.621 -8.445 8.663 1217 2HZ LYS 51 2HZ LYS 51 6.615 -7.559 9.719 1218 3HZ LYS 51 3HZ LYS 51 7.153 -9.040 9.084 1219 HA PRO 52 HA PRO 52 9.737 -4.788 2.534 1220 1HB PRO 52 2HB PRO 52 12.332 -4.105 3.007 1221 2HB PRO 52 1HB PRO 52 11.179 -3.013 2.219 1222 1HG PRO 52 2HG PRO 52 12.304 -2.914 4.928 1223 2HG PRO 52 1HG PRO 52 11.612 -1.621 3.945 1224 1HD PRO 52 2HD PRO 52 10.374 -3.034 6.083 1225 2HD PRO 52 1HD PRO 52 9.655 -1.790 5.040 1226 H VAL 53 H VAL 53 10.918 -6.739 2.374 1227 HA VAL 53 HA VAL 53 12.028 -7.869 4.880 1228 HB VAL 53 HB VAL 53 10.986 -10.061 4.137 1229 1HG1 VAL 53 1HG1 VAL 53 8.978 -7.862 4.672 1230 2HG1 VAL 53 2HG1 VAL 53 10.062 -8.494 5.911 1231 3HG1 VAL 53 3HG1 VAL 53 8.872 -9.554 5.154 1232 1HG2 VAL 53 1HG2 VAL 53 9.502 -8.159 2.290 1233 2HG2 VAL 53 2HG2 VAL 53 9.034 -9.832 2.592 1234 3HG2 VAL 53 3HG2 VAL 53 10.567 -9.475 1.796 1235 H ALA 54 H ALA 54 14.110 -8.328 4.518 1236 HA ALA 54 HA ALA 54 15.235 -8.364 1.910 1237 1HB ALA 54 1HB ALA 54 16.422 -7.686 3.960 1238 2HB ALA 54 2HB ALA 54 17.322 -8.858 2.998 1239 3HB ALA 54 3HB ALA 54 16.468 -9.379 4.451 1240 H ARG 55 H ARG 55 16.112 -9.908 0.678 1241 HA ARG 55 HA ARG 55 15.864 -12.772 1.323 1242 1HB ARG 55 2HB ARG 55 13.638 -11.603 0.366 1243 2HB ARG 55 1HB ARG 55 14.481 -11.823 -1.168 1244 1HG ARG 55 2HG ARG 55 14.759 -14.231 -0.657 1245 2HG ARG 55 1HG ARG 55 13.875 -14.004 0.853 1246 1HD ARG 55 2HD ARG 55 12.135 -12.876 -0.942 1247 2HD ARG 55 1HD ARG 55 12.839 -14.187 -1.908 1248 HE ARG 55 HE ARG 55 12.332 -15.308 0.611 1249 1HH1 ARG 55 1HH2 ARG 55 10.987 -15.367 -2.352 1250 2HH1 ARG 55 2HH2 ARG 55 9.336 -15.511 -1.849 1251 1HH2 ARG 55 1HH1 ARG 55 10.011 -14.795 1.476 1252 2HH2 ARG 55 2HH1 ARG 55 8.783 -15.186 0.319 1253 H GLN 56 H GLN 56 15.920 -13.048 -1.822 1254 HA GLN 56 HA GLN 56 18.531 -11.735 -2.265 1255 1HB GLN 56 2HB GLN 56 17.995 -14.642 -2.094 1256 2HB GLN 56 1HB GLN 56 19.228 -14.073 -3.222 1257 1HG GLN 56 2HG GLN 56 19.540 -12.638 -0.764 1258 2HG GLN 56 1HG GLN 56 19.455 -14.355 -0.384 1259 1HE2 GLN 56 1HE2 GLN 56 21.678 -12.035 -0.969 1260 2HE2 GLN 56 2HE2 GLN 56 22.881 -12.942 -1.750 1261 H ALA 57 H ALA 57 19.215 -12.899 -4.677 1262 HA ALA 57 HA ALA 57 16.924 -12.780 -6.518 1263 1HB ALA 57 1HB ALA 57 17.242 -10.596 -7.198 1264 2HB ALA 57 2HB ALA 57 18.981 -10.659 -6.907 1265 3HB ALA 57 3HB ALA 57 17.868 -10.436 -5.559 1266 H ARG 58 H ARG 58 18.511 -11.897 -8.734 1267 HA ARG 58 HA ARG 58 19.663 -14.284 -9.690 1268 1HB ARG 58 2HB ARG 58 19.125 -12.806 -11.363 1269 2HB ARG 58 1HB ARG 58 19.487 -11.402 -10.369 1270 1HG ARG 58 2HG ARG 58 21.683 -11.350 -10.995 1271 2HG ARG 58 1HG ARG 58 21.771 -13.090 -11.253 1272 1HD ARG 58 2HD ARG 58 19.934 -11.607 -13.062 1273 2HD ARG 58 1HD ARG 58 21.671 -11.338 -13.311 1274 HE ARG 58 HE ARG 58 21.947 -13.751 -13.631 1275 1HH1 ARG 58 1HH2 ARG 58 19.681 -14.779 -12.020 1276 2HH1 ARG 58 2HH2 ARG 58 18.536 -15.250 -13.231 1277 1HH2 ARG 58 1HH1 ARG 58 20.057 -13.423 -15.756 1278 2HH2 ARG 58 2HH1 ARG 58 18.749 -14.482 -15.347 1279 H LYS 59 H LYS 59 21.934 -14.776 -10.085 1280 HA LYS 59 HA LYS 59 24.047 -13.246 -8.749 1281 1HB LYS 59 2HB LYS 59 22.918 -14.433 -6.886 1282 2HB LYS 59 1HB LYS 59 23.176 -15.967 -7.718 1283 1HG LYS 59 2HG LYS 59 25.128 -16.079 -6.575 1284 2HG LYS 59 1HG LYS 59 25.711 -14.848 -7.695 1285 1HD LYS 59 2HD LYS 59 24.236 -14.169 -5.141 1286 2HD LYS 59 1HD LYS 59 25.993 -14.297 -5.224 1287 1HE LYS 59 2HE LYS 59 25.965 -12.590 -7.082 1288 2HE LYS 59 1HE LYS 59 24.231 -12.366 -6.770 1289 1HZ LYS 59 1HZ LYS 59 26.453 -12.017 -4.827 1290 2HZ LYS 59 2HZ LYS 59 24.807 -11.994 -4.406 1291 3HZ LYS 59 3HZ LYS 59 25.440 -10.802 -5.439 1292 H GLY 60 H GLY 60 25.996 -13.715 -9.761 1293 1HA GLY 60 2HA GLY 60 26.584 -16.313 -10.911 1294 2HA GLY 60 1HA GLY 60 26.182 -15.126 -12.150 1295 H PHE 61 H PHE 61 28.106 -14.491 -13.051 1296 HA PHE 61 HA PHE 61 30.028 -13.011 -11.460 1297 1HB PHE 61 2HB PHE 61 31.825 -14.629 -11.498 1298 2HB PHE 61 1HB PHE 61 30.395 -15.479 -10.897 1299 HD1 PHE 61 HD1 PHE 61 29.027 -16.869 -12.476 1300 HD2 PHE 61 HD2 PHE 61 32.811 -15.205 -13.619 1301 HE1 PHE 61 HE1 PHE 61 29.118 -18.408 -14.385 1302 HE2 PHE 61 HE2 PHE 61 32.903 -16.747 -15.522 1303 HZ PHE 61 HZ PHE 61 31.064 -18.371 -15.915 1304 H ASN 62 H ASN 62 32.222 -12.933 -12.931 1305 HA ASN 62 HA ASN 62 31.544 -12.928 -15.804 1306 1HB ASN 62 2HB ASN 62 31.596 -10.627 -16.046 1307 2HB ASN 62 1HB ASN 62 30.891 -10.794 -14.447 1308 1HD2 ASN 62 1HD2 ASN 62 34.028 -10.193 -16.081 1309 2HD2 ASN 62 2HD2 ASN 62 34.713 -9.340 -14.784 1310 HA PRO 63 HA PRO 63 36.256 -12.125 -15.204 1311 1HB PRO 63 2HB PRO 63 37.389 -13.144 -12.929 1312 2HB PRO 63 1HB PRO 63 36.828 -11.467 -13.076 1313 1HG PRO 63 2HG PRO 63 35.535 -13.787 -11.756 1314 2HG PRO 63 1HG PRO 63 35.547 -12.080 -11.288 1315 1HD PRO 63 2HD PRO 63 33.448 -13.337 -12.515 1316 2HD PRO 63 1HD PRO 63 33.739 -11.586 -12.590 1317 H GLN 64 H GLN 64 34.413 -14.904 -14.511 1318 HA GLN 64 HA GLN 64 36.608 -16.762 -15.231 1319 1HB GLN 64 2HB GLN 64 34.249 -16.823 -13.609 1320 2HB GLN 64 1HB GLN 64 34.113 -18.069 -14.849 1321 1HG GLN 64 2HG GLN 64 36.667 -18.487 -14.135 1322 2HG GLN 64 1HG GLN 64 36.068 -17.825 -12.615 1323 1HE2 GLN 64 1HE2 GLN 64 36.181 -19.933 -11.543 1324 2HE2 GLN 64 2HE2 GLN 64 35.078 -21.168 -11.913 1325 H THR 65 H THR 65 35.930 -15.014 -17.259 1326 HA THR 65 HA THR 65 35.360 -14.970 -19.536 1327 HB THR 65 HB THR 65 35.666 -16.998 -20.663 1328 HG1 THR 65 HG1 THR 65 34.805 -18.479 -18.424 1329 1HG2 THR 65 1HG2 THR 65 36.820 -18.034 -18.120 1330 2HG2 THR 65 2HG2 THR 65 37.389 -16.463 -18.684 1331 3HG2 THR 65 3HG2 THR 65 37.559 -17.884 -19.714 1332 H GLN 66 H GLN 66 33.245 -14.292 -17.863 1333 HA GLN 66 HA GLN 66 30.935 -15.341 -19.386 1334 1HB GLN 66 2HB GLN 66 31.699 -16.078 -16.772 1335 2HB GLN 66 1HB GLN 66 30.230 -15.127 -16.636 1336 1HG GLN 66 2HG GLN 66 29.497 -17.377 -16.955 1337 2HG GLN 66 1HG GLN 66 29.292 -16.590 -18.518 1338 1HE2 GLN 66 1HE2 GLN 66 32.425 -17.681 -17.141 1339 2HE2 GLN 66 2HE2 GLN 66 32.725 -18.837 -18.344 1340 H GLU 67 H GLU 67 29.057 -14.085 -17.693 1341 HA GLU 67 HA GLU 67 29.730 -11.181 -17.861 1342 1HB GLU 67 2HB GLU 67 27.716 -12.799 -19.244 1343 2HB GLU 67 1HB GLU 67 26.984 -11.469 -18.346 1344 1HG GLU 67 2HG GLU 67 29.315 -11.141 -20.255 1345 2HG GLU 67 1HG GLU 67 27.630 -10.854 -20.694 1346 H ALA 68 H ALA 68 29.618 -10.476 -15.777 1347 HA ALA 68 HA ALA 68 28.599 -11.925 -13.581 1348 1HB ALA 68 1HB ALA 68 29.926 -10.308 -12.780 1349 2HB ALA 68 2HB ALA 68 28.497 -9.275 -12.831 1350 3HB ALA 68 3HB ALA 68 29.636 -9.273 -14.177 1351 H LEU 69 H LEU 69 26.674 -12.219 -12.728 1352 HA LEU 69 HA LEU 69 24.399 -10.441 -13.552 1353 1HB LEU 69 2HB LEU 69 23.998 -13.392 -13.173 1354 2HB LEU 69 1HB LEU 69 23.146 -12.284 -14.245 1355 HG LEU 69 HG LEU 69 25.580 -12.128 -15.358 1356 1HD1 LEU 69 1HD1 LEU 69 26.833 -13.606 -14.050 1357 2HD1 LEU 69 2HD1 LEU 69 26.344 -14.634 -15.394 1358 3HD1 LEU 69 3HD1 LEU 69 25.489 -14.729 -13.855 1359 1HD2 LEU 69 1HD2 LEU 69 24.002 -14.585 -16.014 1360 2HD2 LEU 69 2HD2 LEU 69 24.707 -13.385 -17.098 1361 3HD2 LEU 69 3HD2 LEU 69 23.236 -13.009 -16.201 1362 H GLU 70 H GLU 70 23.627 -9.565 -11.652 1363 HA GLU 70 HA GLU 70 22.836 -11.225 -9.421 1364 1HB GLU 70 2HB GLU 70 24.561 -10.360 -7.833 1365 2HB GLU 70 1HB GLU 70 25.264 -11.329 -9.127 1366 1HG GLU 70 2HG GLU 70 25.283 -8.811 -10.237 1367 2HG GLU 70 1HG GLU 70 25.595 -8.462 -8.537 1368 H ILE 71 H ILE 71 20.931 -9.859 -9.911 1369 HA ILE 71 HA ILE 71 20.933 -6.992 -9.651 1370 HB ILE 71 HB ILE 71 18.544 -7.290 -9.622 1371 1HG1 ILE 71 2HG1 ILE 71 19.107 -10.197 -9.007 1372 2HG1 ILE 71 1HG1 ILE 71 18.463 -9.020 -7.867 1373 1HG2 ILE 71 1HG2 ILE 71 19.501 -9.621 -11.260 1374 2HG2 ILE 71 2HG2 ILE 71 19.967 -7.973 -11.687 1375 3HG2 ILE 71 3HG2 ILE 71 18.263 -8.429 -11.653 1376 1HD1 ILE 71 1HD1 ILE 71 17.026 -10.582 -9.786 1377 2HD1 ILE 71 2HD1 ILE 71 16.861 -8.880 -10.216 1378 3HD1 ILE 71 3HD1 ILE 71 16.387 -9.434 -8.611 1379 H ALA 72 H ALA 72 18.713 -7.058 -7.664 1380 HA ALA 72 HA ALA 72 20.475 -6.744 -5.318 1381 1HB ALA 72 1HB ALA 72 18.341 -5.525 -4.566 1382 2HB ALA 72 2HB ALA 72 17.766 -5.816 -6.208 1383 3HB ALA 72 3HB ALA 72 19.221 -4.858 -5.941 1384 HA PRO 73 HA PRO 73 18.387 -10.382 -3.584 1385 1HB PRO 73 2HB PRO 73 20.650 -11.433 -2.525 1386 2HB PRO 73 1HB PRO 73 20.225 -11.601 -4.232 1387 1HG PRO 73 2HG PRO 73 22.376 -10.083 -3.030 1388 2HG PRO 73 1HG PRO 73 22.104 -10.484 -4.730 1389 1HD PRO 73 2HD PRO 73 21.501 -8.017 -3.301 1390 2HD PRO 73 1HD PRO 73 21.546 -8.324 -5.049 1391 H SER 74 H SER 74 17.344 -8.899 -1.769 1392 HA SER 74 HA SER 74 17.969 -9.664 0.811 1393 1HB SER 74 2HB SER 74 20.082 -8.926 1.034 1394 2HB SER 74 1HB SER 74 19.915 -7.740 -0.236 1395 HG SER 74 HG SER 74 18.845 -7.528 2.381 1396 H VAL 75 H VAL 75 15.692 -8.467 -0.659 1397 HA VAL 75 HA VAL 75 14.328 -7.284 1.510 1398 HB VAL 75 HB VAL 75 16.137 -5.476 0.829 1399 1HG1 VAL 75 1HG1 VAL 75 15.497 -3.938 -0.802 1400 2HG1 VAL 75 2HG1 VAL 75 13.801 -4.420 -0.717 1401 3HG1 VAL 75 3HG1 VAL 75 14.971 -5.453 -1.536 1402 1HG2 VAL 75 1HG2 VAL 75 13.378 -4.458 1.372 1403 2HG2 VAL 75 2HG2 VAL 75 14.906 -3.968 2.103 1404 3HG2 VAL 75 3HG2 VAL 75 14.166 -5.505 2.551 1405 H GLY 76 H GLY 76 12.221 -7.006 1.139 1406 1HA GLY 76 2HA GLY 76 11.300 -6.963 -1.696 1407 2HA GLY 76 1HA GLY 76 10.715 -8.248 -0.641 1408 H VAL 77 H VAL 77 8.584 -7.605 -0.606 1409 HA VAL 77 HA VAL 77 8.002 -5.141 0.987 1410 HB VAL 77 HB VAL 77 6.478 -5.979 -1.515 1411 1HG1 VAL 77 1HG1 VAL 77 6.484 -3.162 -0.853 1412 2HG1 VAL 77 2HG1 VAL 77 5.973 -4.113 0.542 1413 3HG1 VAL 77 3HG1 VAL 77 5.116 -4.266 -0.992 1414 1HG2 VAL 77 1HG2 VAL 77 8.519 -5.425 -2.495 1415 2HG2 VAL 77 2HG2 VAL 77 8.946 -4.294 -1.211 1416 3HG2 VAL 77 3HG2 VAL 77 7.748 -3.840 -2.424 1417 H SER 78 H SER 78 7.639 -6.724 2.664 1418 HA SER 78 HA SER 78 5.973 -9.008 2.574 1419 1HB SER 78 2HB SER 78 7.114 -8.922 4.543 1420 2HB SER 78 1HB SER 78 7.139 -7.163 4.557 1421 HG SER 78 HG SER 78 5.441 -8.906 5.779 1422 H VAL 79 H VAL 79 5.122 -5.711 3.578 1423 HA VAL 79 HA VAL 79 2.495 -6.005 4.351 1424 HB VAL 79 HB VAL 79 2.270 -3.676 3.581 1425 1HG1 VAL 79 1HG1 VAL 79 3.290 -4.430 5.738 1426 2HG1 VAL 79 2HG1 VAL 79 3.948 -2.908 5.164 1427 3HG1 VAL 79 3HG1 VAL 79 4.867 -4.391 4.962 1428 1HG2 VAL 79 1HG2 VAL 79 3.701 -4.097 1.520 1429 2HG2 VAL 79 2HG2 VAL 79 5.105 -4.093 2.582 1430 3HG2 VAL 79 3HG2 VAL 79 4.121 -2.645 2.417 1431 H LYS 80 H LYS 80 0.675 -4.780 3.110 1432 HA LYS 80 HA LYS 80 0.306 -5.068 0.297 1433 1HB LYS 80 2HB LYS 80 -1.242 -7.121 0.545 1434 2HB LYS 80 1HB LYS 80 0.483 -7.431 0.669 1435 1HG LYS 80 2HG LYS 80 -0.503 -8.625 2.476 1436 2HG LYS 80 1HG LYS 80 0.185 -7.179 3.207 1437 1HD LYS 80 2HD LYS 80 -1.884 -6.216 3.587 1438 2HD LYS 80 1HD LYS 80 -2.639 -7.058 2.234 1439 1HE LYS 80 2HE LYS 80 -2.507 -9.194 3.511 1440 2HE LYS 80 1HE LYS 80 -1.831 -8.300 4.888 1441 1HZ LYS 80 1HZ LYS 80 -4.462 -7.844 3.584 1442 2HZ LYS 80 2HZ LYS 80 -3.788 -6.811 4.753 1443 3HZ LYS 80 3HZ LYS 80 -4.195 -8.409 5.161 1444 HA PRO 81 HA PRO 81 -3.443 -2.970 1.352 1445 1HB PRO 81 2HB PRO 81 -5.361 -4.072 -0.257 1446 2HB PRO 81 1HB PRO 81 -4.084 -2.999 -0.864 1447 1HG PRO 81 2HG PRO 81 -4.268 -5.967 -0.964 1448 2HG PRO 81 1HG PRO 81 -3.662 -4.831 -2.180 1449 1HD PRO 81 2HD PRO 81 -2.037 -6.293 -0.556 1450 2HD PRO 81 1HD PRO 81 -1.583 -4.712 -1.217 1451 H GLY 82 H GLY 82 -4.971 -3.112 2.965 1452 1HA GLY 82 2HA GLY 82 -5.561 -5.785 4.093 1453 2HA GLY 82 1HA GLY 82 -5.814 -4.243 4.910 1454 H GLU 83 H GLU 83 -8.000 -4.908 5.416 1455 HA GLU 83 HA GLU 83 -9.872 -5.375 3.185 1456 1HB GLU 83 2HB GLU 83 -11.474 -5.732 4.999 1457 2HB GLU 83 1HB GLU 83 -9.981 -6.602 5.346 1458 1HG GLU 83 2HG GLU 83 -9.249 -4.794 6.839 1459 2HG GLU 83 1HG GLU 83 -10.701 -3.870 6.452 1460 H SER 84 H SER 84 -8.724 -2.675 5.028 1461 HA SER 84 HA SER 84 -10.964 -0.957 5.114 1462 1HB SER 84 2HB SER 84 -8.004 -0.640 4.793 1463 2HB SER 84 1HB SER 84 -9.022 0.790 4.662 1464 HG SER 84 HG SER 84 -9.695 0.502 6.720 1465 H LEU 85 H LEU 85 -8.800 -1.732 2.415 1466 HA LEU 85 HA LEU 85 -10.118 0.141 0.569 1467 1HB LEU 85 2HB LEU 85 -7.737 -1.501 0.738 1468 2HB LEU 85 1HB LEU 85 -8.564 -1.808 -0.787 1469 HG LEU 85 HG LEU 85 -8.126 1.010 0.173 1470 1HD1 LEU 85 1HD1 LEU 85 -6.224 -0.294 -1.743 1471 2HD1 LEU 85 2HD1 LEU 85 -5.964 -0.493 -0.010 1472 3HD1 LEU 85 3HD1 LEU 85 -5.983 1.122 -0.722 1473 1HD2 LEU 85 1HD2 LEU 85 -8.578 -0.349 -2.493 1474 2HD2 LEU 85 2HD2 LEU 85 -8.137 1.352 -2.342 1475 3HD2 LEU 85 3HD2 LEU 85 -9.657 0.770 -1.661 1476 H LYS 86 H LYS 86 -10.209 -3.292 1.373 1477 HA LYS 86 HA LYS 86 -11.903 -4.040 -0.862 1478 1HB LYS 86 2HB LYS 86 -10.564 -5.231 1.436 1479 2HB LYS 86 1HB LYS 86 -12.180 -5.902 1.224 1480 1HG LYS 86 2HG LYS 86 -11.665 -6.862 -0.803 1481 2HG LYS 86 1HG LYS 86 -10.501 -5.604 -1.222 1482 1HD LYS 86 2HD LYS 86 -8.812 -6.551 0.140 1483 2HD LYS 86 1HD LYS 86 -9.968 -7.547 1.024 1484 1HE LYS 86 2HE LYS 86 -10.444 -8.626 -1.325 1485 2HE LYS 86 1HE LYS 86 -8.851 -7.960 -1.740 1486 1HZ LYS 86 1HZ LYS 86 -7.946 -8.989 0.260 1487 2HZ LYS 86 2HZ LYS 86 -8.625 -10.163 -0.765 1488 3HZ LYS 86 3HZ LYS 86 -9.462 -9.658 0.624 1489 H LYS 87 H LYS 87 -12.395 -2.810 2.352 1490 HA LYS 87 HA LYS 87 -15.229 -3.455 2.457 1491 1HB LYS 87 2HB LYS 87 -13.948 -3.154 4.504 1492 2HB LYS 87 1HB LYS 87 -13.377 -1.575 3.968 1493 1HG LYS 87 2HG LYS 87 -16.224 -1.512 3.864 1494 2HG LYS 87 1HG LYS 87 -15.775 -2.207 5.421 1495 1HD LYS 87 2HD LYS 87 -14.601 0.358 4.314 1496 2HD LYS 87 1HD LYS 87 -15.944 0.299 5.455 1497 1HE LYS 87 2HE LYS 87 -13.439 -1.215 6.129 1498 2HE LYS 87 1HE LYS 87 -13.465 0.545 6.360 1499 1HZ LYS 87 1HZ LYS 87 -14.322 -0.455 8.335 1500 2HZ LYS 87 2HZ LYS 87 -15.393 -1.435 7.451 1501 3HZ LYS 87 3HZ LYS 87 -15.629 0.247 7.513 1502 H ALA 88 H ALA 88 -13.159 -0.735 1.544 1503 HA ALA 88 HA ALA 88 -15.281 1.111 0.904 1504 1HB ALA 88 1HB ALA 88 -12.602 1.238 1.152 1505 2HB ALA 88 2HB ALA 88 -13.489 2.402 0.167 1506 3HB ALA 88 3HB ALA 88 -12.692 1.027 -0.596 1507 H ALA 89 H ALA 89 -13.601 -1.512 -0.768 1508 HA ALA 89 HA ALA 89 -14.549 -1.103 -3.409 1509 1HB ALA 89 1HB ALA 89 -14.347 -3.675 -3.466 1510 2HB ALA 89 2HB ALA 89 -13.911 -3.556 -1.765 1511 3HB ALA 89 3HB ALA 89 -12.905 -2.783 -2.984 1512 H GLU 90 H GLU 90 -16.080 -2.832 -0.695 1513 HA GLU 90 HA GLU 90 -18.467 -3.647 -2.009 1514 1HB GLU 90 2HB GLU 90 -17.442 -3.251 0.686 1515 2HB GLU 90 1HB GLU 90 -19.129 -2.745 0.595 1516 1HG GLU 90 2HG GLU 90 -18.436 -5.310 -0.745 1517 2HG GLU 90 1HG GLU 90 -18.411 -5.308 1.019 1518 H GLY 91 H GLY 91 -17.332 -0.570 -0.780 1519 1HA GLY 91 2HA GLY 91 -19.767 0.923 -0.965 1520 2HA GLY 91 1HA GLY 91 -18.147 1.612 -1.015 1521 H LEU 92 H LEU 92 -17.222 0.235 -3.442 1522 HA LEU 92 HA LEU 92 -18.437 2.001 -5.424 1523 1HB LEU 92 2HB LEU 92 -16.663 1.270 -6.767 1524 2HB LEU 92 1HB LEU 92 -16.023 1.000 -5.161 1525 HG LEU 92 HG LEU 92 -17.304 -1.376 -5.605 1526 1HD1 LEU 92 1HD1 LEU 92 -17.722 -1.612 -7.810 1527 2HD1 LEU 92 2HD1 LEU 92 -15.979 -1.594 -8.076 1528 3HD1 LEU 92 3HD1 LEU 92 -16.903 -0.096 -8.183 1529 1HD2 LEU 92 1HD2 LEU 92 -14.707 -0.460 -5.197 1530 2HD2 LEU 92 2HD2 LEU 92 -14.589 -1.381 -6.696 1531 3HD2 LEU 92 3HD2 LEU 92 -15.210 -2.149 -5.236 1532 H LYS 93 H LYS 93 -19.938 -0.501 -4.110 1533 HA LYS 93 HA LYS 93 -21.546 -2.058 -4.881 1534 1HB LYS 93 2HB LYS 93 -21.307 -0.042 -7.131 1535 2HB LYS 93 1HB LYS 93 -22.362 -1.443 -7.296 1536 1HG LYS 93 2HG LYS 93 -22.491 0.499 -4.974 1537 2HG LYS 93 1HG LYS 93 -23.523 0.601 -6.401 1538 1HD LYS 93 2HD LYS 93 -24.182 -1.827 -5.914 1539 2HD LYS 93 1HD LYS 93 -23.415 -1.607 -4.340 1540 1HE LYS 93 2HE LYS 93 -25.317 0.531 -5.159 1541 2HE LYS 93 1HE LYS 93 -26.028 -1.044 -4.758 1542 1HZ LYS 93 1HZ LYS 93 -24.054 0.424 -3.089 1543 2HZ LYS 93 2HZ LYS 93 -24.759 -1.076 -2.711 1544 3HZ LYS 93 3HZ LYS 93 -25.717 0.327 -2.771 1545 H TYR 94 H TYR 94 -18.870 -2.718 -4.924 1546 HA TYR 94 HA TYR 94 -17.459 -3.538 -7.091 1547 1HB TYR 94 2HB TYR 94 -16.402 -4.868 -5.570 1548 2HB TYR 94 1HB TYR 94 -17.447 -4.021 -4.439 1549 HD1 TYR 94 HD1 TYR 94 -17.766 -6.899 -6.815 1550 HD2 TYR 94 HD2 TYR 94 -18.443 -5.389 -2.848 1551 HE1 TYR 94 HE1 TYR 94 -18.751 -9.090 -6.168 1552 HE2 TYR 94 HE2 TYR 94 -19.420 -7.600 -2.195 1553 HH TYR 94 HH TYR 94 -20.667 -9.627 -3.962 1554 H GLU 95 H GLU 95 -20.472 -5.061 -5.976 1555 HA GLU 95 HA GLU 95 -20.478 -7.347 -7.658 1556 1HB GLU 95 2HB GLU 95 -22.937 -7.236 -7.323 1557 2HB GLU 95 1HB GLU 95 -22.060 -6.944 -5.822 1558 1HG GLU 95 2HG GLU 95 -22.242 -4.433 -6.440 1559 2HG GLU 95 1HG GLU 95 -23.483 -4.949 -7.582 1560 H ASP 96 H ASP 96 -21.622 -4.036 -8.283 1561 HA ASP 96 HA ASP 96 -22.595 -4.471 -10.946 1562 1HB ASP 96 2HB ASP 96 -21.605 -2.171 -9.282 1563 2HB ASP 96 1HB ASP 96 -21.860 -1.911 -11.008 1564 H PHE 97 H PHE 97 -19.421 -3.917 -9.544 1565 HA PHE 97 HA PHE 97 -18.055 -3.575 -12.122 1566 1HB PHE 97 2HB PHE 97 -17.581 -2.974 -9.463 1567 2HB PHE 97 1HB PHE 97 -16.511 -4.349 -9.732 1568 HD1 PHE 97 HD1 PHE 97 -14.931 -4.287 -11.735 1569 HD2 PHE 97 HD2 PHE 97 -17.041 -0.830 -10.306 1570 HE1 PHE 97 HE1 PHE 97 -13.333 -2.817 -12.934 1571 HE2 PHE 97 HE2 PHE 97 -15.443 0.641 -11.504 1572 HZ PHE 97 HZ PHE 97 -13.590 -0.352 -12.819 1573 H ALA 98 H ALA 98 -18.935 -6.185 -9.970 1574 HA ALA 98 HA ALA 98 -17.046 -8.166 -10.877 1575 1HB ALA 98 1HB ALA 98 -18.041 -8.818 -8.914 1576 2HB ALA 98 2HB ALA 98 -19.229 -9.549 -9.992 1577 3HB ALA 98 3HB ALA 98 -19.539 -7.965 -9.283 1578 H LYS 99 H LYS 99 -20.177 -7.050 -12.041 1579 HA LYS 99 HA LYS 99 -20.931 -9.172 -13.748 1580 1HB LYS 99 2HB LYS 99 -21.801 -6.645 -13.110 1581 2HB LYS 99 1HB LYS 99 -21.302 -6.431 -14.787 1582 1HG LYS 99 2HG LYS 99 -23.350 -7.265 -15.301 1583 2HG LYS 99 1HG LYS 99 -22.645 -8.831 -14.898 1584 1HD LYS 99 2HD LYS 99 -24.715 -8.577 -13.652 1585 2HD LYS 99 1HD LYS 99 -23.364 -8.480 -12.522 1586 1HE LYS 99 2HE LYS 99 -24.461 -6.577 -11.828 1587 2HE LYS 99 1HE LYS 99 -23.622 -5.849 -13.213 1588 1HZ LYS 99 1HZ LYS 99 -26.246 -7.217 -13.427 1589 2HZ LYS 99 2HZ LYS 99 -25.467 -6.286 -14.614 1590 3HZ LYS 99 3HZ LYS 99 -26.091 -5.541 -13.220 Start of MODEL 12 1 1H MET 1 1H MET 1 6.217 4.219 11.261 2 2H MET 1 2H MET 1 4.899 3.225 10.858 3 3H MET 1 3H MET 1 5.118 3.742 12.461 4 HA MET 1 HA MET 1 4.264 5.806 12.085 5 1HB MET 1 2HB MET 1 4.460 6.791 9.734 6 2HB MET 1 1HB MET 1 5.979 6.518 10.584 7 1HG MET 1 2HG MET 1 5.716 4.126 9.339 8 2HG MET 1 1HG MET 1 4.870 5.159 8.190 9 1HE MET 1 1HE MET 1 5.554 7.435 7.912 10 2HE MET 1 2HE MET 1 6.549 7.106 6.496 11 3HE MET 1 3HE MET 1 7.200 8.074 7.816 12 H ASN 2 H ASN 2 2.521 6.730 10.347 13 HA ASN 2 HA ASN 2 1.053 4.855 8.824 14 1HB ASN 2 2HB ASN 2 -0.841 4.470 10.402 15 2HB ASN 2 1HB ASN 2 0.674 3.845 11.045 16 1HD2 ASN 2 1HD2 ASN 2 -1.992 5.568 11.992 17 2HD2 ASN 2 2HD2 ASN 2 -1.303 6.505 13.228 18 H LYS 3 H LYS 3 -1.602 5.880 9.451 19 HA LYS 3 HA LYS 3 -1.795 8.112 7.754 20 1HB LYS 3 2HB LYS 3 -3.514 6.484 9.039 21 2HB LYS 3 1HB LYS 3 -3.678 7.913 10.056 22 1HG LYS 3 2HG LYS 3 -5.113 8.728 8.510 23 2HG LYS 3 1HG LYS 3 -3.726 8.920 7.441 24 1HD LYS 3 2HD LYS 3 -4.421 7.243 6.103 25 2HD LYS 3 1HD LYS 3 -4.627 6.163 7.475 26 1HE LYS 3 2HE LYS 3 -6.661 8.149 6.385 27 2HE LYS 3 1HE LYS 3 -6.814 6.388 6.474 28 1HZ LYS 3 1HZ LYS 3 -7.027 8.369 8.606 29 2HZ LYS 3 2HZ LYS 3 -6.256 6.909 9.006 30 3HZ LYS 3 3HZ LYS 3 -7.846 6.900 8.410 31 H THR 4 H THR 4 -0.371 8.090 10.855 32 HA THR 4 HA THR 4 -0.814 11.036 11.176 33 HB THR 4 HB THR 4 -0.029 8.895 13.178 34 HG1 THR 4 HG1 THR 4 -2.115 8.936 13.783 35 1HG2 THR 4 1HG2 THR 4 -0.292 11.859 13.296 36 2HG2 THR 4 2HG2 THR 4 0.783 10.788 14.197 37 3HG2 THR 4 3HG2 THR 4 -0.909 10.943 14.672 38 H GLU 5 H GLU 5 1.667 8.633 12.118 39 HA GLU 5 HA GLU 5 3.865 10.351 12.248 40 1HB GLU 5 2HB GLU 5 3.413 7.471 11.653 41 2HB GLU 5 1HB GLU 5 5.021 8.112 11.319 42 1HG GLU 5 2HG GLU 5 4.086 9.077 13.879 43 2HG GLU 5 1HG GLU 5 3.990 7.317 13.826 44 H LEU 6 H LEU 6 2.478 8.739 9.392 45 HA LEU 6 HA LEU 6 4.420 9.657 7.492 46 1HB LEU 6 2HB LEU 6 1.483 8.930 7.332 47 2HB LEU 6 1HB LEU 6 2.435 9.316 5.901 48 HG LEU 6 HG LEU 6 3.425 7.257 7.860 49 1HD1 LEU 6 1HD1 LEU 6 1.938 6.322 5.464 50 2HD1 LEU 6 2HD1 LEU 6 0.955 6.962 6.782 51 3HD1 LEU 6 3HD1 LEU 6 2.046 5.607 7.073 52 1HD2 LEU 6 1HD2 LEU 6 3.713 7.464 4.850 53 2HD2 LEU 6 2HD2 LEU 6 4.665 6.472 5.955 54 3HD2 LEU 6 3HD2 LEU 6 4.835 8.228 5.975 55 H ILE 7 H ILE 7 1.508 11.226 8.866 56 HA ILE 7 HA ILE 7 1.394 13.435 7.068 57 HB ILE 7 HB ILE 7 0.021 14.470 8.676 58 1HG1 ILE 7 2HG1 ILE 7 0.240 13.304 11.152 59 2HG1 ILE 7 1HG1 ILE 7 1.914 13.358 10.627 60 1HG2 ILE 7 1HG2 ILE 7 -1.418 12.735 9.560 61 2HG2 ILE 7 2HG2 ILE 7 -0.132 11.544 9.390 62 3HG2 ILE 7 3HG2 ILE 7 -0.851 12.277 7.958 63 1HD1 ILE 7 1HD1 ILE 7 1.663 15.457 11.613 64 2HD1 ILE 7 2HD1 ILE 7 0.002 15.629 11.045 65 3HD1 ILE 7 3HD1 ILE 7 1.344 15.812 9.915 66 H LYS 8 H LYS 8 3.353 12.807 9.931 67 HA LYS 8 HA LYS 8 4.697 15.362 9.994 68 1HB LYS 8 2HB LYS 8 5.931 12.716 10.772 69 2HB LYS 8 1HB LYS 8 6.187 14.287 11.516 70 1HG LYS 8 2HG LYS 8 3.857 14.256 12.363 71 2HG LYS 8 1HG LYS 8 3.632 12.658 11.654 72 1HD LYS 8 2HD LYS 8 5.619 13.406 13.817 73 2HD LYS 8 1HD LYS 8 4.192 12.389 14.007 74 1HE LYS 8 2HE LYS 8 5.435 10.579 13.438 75 2HE LYS 8 1HE LYS 8 5.753 11.305 11.853 76 1HZ LYS 8 1HZ LYS 8 7.587 12.498 12.711 77 2HZ LYS 8 2HZ LYS 8 7.773 10.905 13.272 78 3HZ LYS 8 3HZ LYS 8 7.194 12.114 14.317 79 H ALA 9 H ALA 9 5.296 12.250 8.420 80 HA ALA 9 HA ALA 9 7.823 12.655 7.270 81 1HB ALA 9 1HB ALA 9 5.544 11.460 5.723 82 2HB ALA 9 2HB ALA 9 6.045 10.710 7.239 83 3HB ALA 9 3HB ALA 9 7.191 10.862 5.910 84 H ILE 10 H ILE 10 4.632 13.850 6.210 85 HA ILE 10 HA ILE 10 5.877 15.223 3.915 86 HB ILE 10 HB ILE 10 3.190 14.371 4.887 87 1HG1 ILE 10 2HG1 ILE 10 2.838 13.922 2.511 88 2HG1 ILE 10 1HG1 ILE 10 4.321 14.784 2.106 89 1HG2 ILE 10 1HG2 ILE 10 3.515 16.889 3.230 90 2HG2 ILE 10 2HG2 ILE 10 2.824 16.790 4.849 91 3HG2 ILE 10 3HG2 ILE 10 1.993 16.038 3.487 92 1HD1 ILE 10 1HD1 ILE 10 5.691 13.111 2.970 93 2HD1 ILE 10 2HD1 ILE 10 4.347 12.156 2.344 94 3HD1 ILE 10 3HD1 ILE 10 4.443 12.517 4.067 95 H ALA 11 H ALA 11 4.540 15.731 7.120 96 HA ALA 11 HA ALA 11 4.393 18.605 6.962 97 1HB ALA 11 1HB ALA 11 3.478 16.802 8.664 98 2HB ALA 11 2HB ALA 11 3.952 18.380 9.282 99 3HB ALA 11 3HB ALA 11 5.044 17.007 9.444 100 H GLN 12 H GLN 12 7.011 16.430 6.873 101 HA GLN 12 HA GLN 12 8.887 18.571 7.746 102 1HB GLN 12 2HB GLN 12 10.293 16.821 8.617 103 2HB GLN 12 1HB GLN 12 8.656 16.412 9.123 104 1HG GLN 12 2HG GLN 12 8.463 14.908 7.142 105 2HG GLN 12 1HG GLN 12 10.148 15.252 6.754 106 1HE2 GLN 12 1HE2 GLN 12 11.799 14.568 8.399 107 2HE2 GLN 12 2HE2 GLN 12 11.442 13.288 9.454 108 H ASP 13 H ASP 13 8.401 15.889 5.404 109 HA ASP 13 HA ASP 13 10.735 16.592 3.791 110 1HB ASP 13 2HB ASP 13 8.189 14.996 3.419 111 2HB ASP 13 1HB ASP 13 9.281 15.263 2.063 112 H THR 14 H THR 14 7.386 17.412 4.015 113 HA THR 14 HA THR 14 7.440 19.297 1.735 114 HB THR 14 HB THR 14 5.023 19.057 3.381 115 HG1 THR 14 HG1 THR 14 6.158 16.695 2.295 116 1HG2 THR 14 1HG2 THR 14 4.158 19.243 1.341 117 2HG2 THR 14 2HG2 THR 14 4.848 17.685 0.902 118 3HG2 THR 14 3HG2 THR 14 5.779 19.158 0.646 119 H GLY 15 H GLY 15 6.028 19.446 5.006 120 1HA GLY 15 2HA GLY 15 6.067 21.118 6.651 121 2HA GLY 15 1HA GLY 15 7.730 21.392 6.141 122 H LEU 16 H LEU 16 5.336 21.789 3.736 123 HA LEU 16 HA LEU 16 5.986 24.537 3.215 124 1HB LEU 16 2HB LEU 16 3.602 22.806 2.502 125 2HB LEU 16 1HB LEU 16 3.919 24.385 1.784 126 HG LEU 16 HG LEU 16 6.331 23.192 1.468 127 1HD1 LEU 16 1HD1 LEU 16 4.669 21.096 2.240 128 2HD1 LEU 16 2HD1 LEU 16 6.234 20.948 1.441 129 3HD1 LEU 16 3HD1 LEU 16 4.758 20.967 0.492 130 1HD2 LEU 16 1HD2 LEU 16 4.395 22.480 -0.653 131 2HD2 LEU 16 2HD2 LEU 16 5.833 23.492 -0.756 132 3HD2 LEU 16 3HD2 LEU 16 4.320 24.167 -0.152 133 H THR 17 H THR 17 2.842 23.280 4.192 134 HA THR 17 HA THR 17 2.518 25.557 6.081 135 HB THR 17 HB THR 17 1.443 25.452 3.582 136 HG1 THR 17 HG1 THR 17 1.311 27.131 5.212 137 1HG2 THR 17 1HG2 THR 17 0.171 23.424 4.016 138 2HG2 THR 17 2HG2 THR 17 -0.934 24.781 3.825 139 3HG2 THR 17 3HG2 THR 17 -0.583 24.158 5.430 140 H GLN 18 H GLN 18 2.764 22.321 5.804 141 HA GLN 18 HA GLN 18 1.939 20.494 7.035 142 1HB GLN 18 2HB GLN 18 0.768 22.614 8.867 143 2HB GLN 18 1HB GLN 18 1.317 20.998 9.307 144 1HG GLN 18 2HG GLN 18 3.621 21.879 8.335 145 2HG GLN 18 1HG GLN 18 2.926 23.452 8.722 146 1HE2 GLN 18 1HE2 GLN 18 4.950 23.212 10.315 147 2HE2 GLN 18 2HE2 GLN 18 4.587 22.576 11.847 148 H VAL 19 H VAL 19 0.484 22.012 4.969 149 HA VAL 19 HA VAL 19 -1.953 22.662 4.679 150 HB VAL 19 HB VAL 19 -1.092 21.595 2.793 151 1HG1 VAL 19 1HG1 VAL 19 0.596 20.213 3.577 152 2HG1 VAL 19 2HG1 VAL 19 -0.541 19.052 2.896 153 3HG1 VAL 19 3HG1 VAL 19 -0.490 19.315 4.639 154 1HG2 VAL 19 1HG2 VAL 19 -3.568 20.543 3.624 155 2HG2 VAL 19 2HG2 VAL 19 -2.640 19.158 3.061 156 3HG2 VAL 19 3HG2 VAL 19 -2.902 20.529 1.993 157 H SER 20 H SER 20 -2.424 19.288 4.916 158 HA SER 20 HA SER 20 -3.948 19.527 7.406 159 1HB SER 20 2HB SER 20 -5.906 18.883 6.345 160 2HB SER 20 1HB SER 20 -5.140 19.724 5.009 161 HG SER 20 HG SER 20 -5.963 17.383 4.829 162 H VAL 21 H VAL 21 -1.294 18.472 6.420 163 HA VAL 21 HA VAL 21 -0.641 16.011 5.877 164 HB VAL 21 HB VAL 21 0.845 15.983 7.880 165 1HG1 VAL 21 1HG1 VAL 21 2.087 17.870 7.231 166 2HG1 VAL 21 2HG1 VAL 21 0.636 18.811 6.880 167 3HG1 VAL 21 3HG1 VAL 21 1.124 17.506 5.798 168 1HG2 VAL 21 1HG2 VAL 21 -0.671 16.785 9.585 169 2HG2 VAL 21 2HG2 VAL 21 -0.937 18.290 8.703 170 3HG2 VAL 21 3HG2 VAL 21 0.633 17.962 9.435 171 H SER 22 H SER 22 -2.523 16.809 8.670 172 HA SER 22 HA SER 22 -2.867 14.002 9.530 173 1HB SER 22 2HB SER 22 -4.496 15.138 11.119 174 2HB SER 22 1HB SER 22 -2.854 15.768 11.185 175 HG SER 22 HG SER 22 -3.546 17.604 10.416 176 H LYS 23 H LYS 23 -4.687 16.448 7.768 177 HA LYS 23 HA LYS 23 -6.983 14.660 7.400 178 1HB LYS 23 2HB LYS 23 -6.272 17.502 7.083 179 2HB LYS 23 1HB LYS 23 -7.521 16.897 5.997 180 1HG LYS 23 2HG LYS 23 -8.995 17.088 7.678 181 2HG LYS 23 1HG LYS 23 -8.106 15.840 8.549 182 1HD LYS 23 2HD LYS 23 -8.346 17.934 9.880 183 2HD LYS 23 1HD LYS 23 -6.660 17.525 9.566 184 1HE LYS 23 2HE LYS 23 -6.327 19.420 8.350 185 2HE LYS 23 1HE LYS 23 -7.854 19.217 7.468 186 1HZ LYS 23 1HZ LYS 23 -9.005 19.863 9.565 187 2HZ LYS 23 2HZ LYS 23 -8.090 21.115 8.868 188 3HZ LYS 23 3HZ LYS 23 -7.496 20.275 10.221 189 H MET 24 H MET 24 -4.266 15.961 5.434 190 HA MET 24 HA MET 24 -5.469 14.980 2.973 191 1HB MET 24 2HB MET 24 -2.770 15.134 2.437 192 2HB MET 24 1HB MET 24 -3.910 16.454 2.249 193 1HG MET 24 2HG MET 24 -3.060 17.599 4.028 194 2HG MET 24 1HG MET 24 -2.819 16.131 4.976 195 1HE MET 24 1HE MET 24 0.178 14.577 4.254 196 2HE MET 24 2HE MET 24 -0.908 14.270 2.901 197 3HE MET 24 3HE MET 24 -1.566 14.466 4.523 198 H LEU 25 H LEU 25 -3.381 13.646 5.495 199 HA LEU 25 HA LEU 25 -2.874 11.204 3.920 200 1HB LEU 25 2HB LEU 25 -2.362 12.090 6.767 201 2HB LEU 25 1HB LEU 25 -1.975 10.465 6.214 202 HG LEU 25 HG LEU 25 -0.643 13.055 5.573 203 1HD1 LEU 25 1HD1 LEU 25 0.162 11.012 7.011 204 2HD1 LEU 25 2HD1 LEU 25 1.300 11.819 5.934 205 3HD1 LEU 25 3HD1 LEU 25 0.548 10.301 5.445 206 1HD2 LEU 25 1HD2 LEU 25 0.294 12.076 3.462 207 2HD2 LEU 25 2HD2 LEU 25 -1.429 12.428 3.344 208 3HD2 LEU 25 3HD2 LEU 25 -0.884 10.769 3.585 209 H ALA 26 H ALA 26 -4.993 12.328 6.519 210 HA ALA 26 HA ALA 26 -6.281 9.784 7.012 211 1HB ALA 26 1HB ALA 26 -8.025 11.321 8.022 212 2HB ALA 26 2HB ALA 26 -7.107 12.686 7.385 213 3HB ALA 26 3HB ALA 26 -6.388 11.630 8.603 214 H SER 27 H SER 27 -6.721 12.467 4.772 215 HA SER 27 HA SER 27 -9.200 11.374 3.616 216 1HB SER 27 2HB SER 27 -9.073 13.338 2.215 217 2HB SER 27 1HB SER 27 -8.575 13.835 3.830 218 HG SER 27 HG SER 27 -7.206 14.453 1.945 219 H PHE 28 H PHE 28 -5.737 11.391 3.023 220 HA PHE 28 HA PHE 28 -5.592 10.487 0.349 221 1HB PHE 28 2HB PHE 28 -3.541 10.975 1.334 222 2HB PHE 28 1HB PHE 28 -4.003 10.259 2.869 223 HD1 PHE 28 HD1 PHE 28 -2.270 9.758 -0.247 224 HD2 PHE 28 HD2 PHE 28 -4.102 7.676 3.035 225 HE1 PHE 28 HE1 PHE 28 -0.956 7.750 -0.790 226 HE2 PHE 28 HE2 PHE 28 -2.798 5.668 2.479 227 HZ PHE 28 HZ PHE 28 -1.221 5.688 0.564 228 H GLU 29 H GLU 29 -6.039 8.621 3.359 229 HA GLU 29 HA GLU 29 -6.337 6.110 1.965 230 1HB GLU 29 2HB GLU 29 -5.756 6.350 4.374 231 2HB GLU 29 1HB GLU 29 -7.360 7.038 4.664 232 1HG GLU 29 2HG GLU 29 -7.578 4.611 3.123 233 2HG GLU 29 1HG GLU 29 -6.670 4.322 4.598 234 H LYS 30 H LYS 30 -8.424 8.725 3.079 235 HA LYS 30 HA LYS 30 -10.938 7.490 2.498 236 1HB LYS 30 2HB LYS 30 -10.466 9.619 3.812 237 2HB LYS 30 1HB LYS 30 -10.215 10.423 2.261 238 1HG LYS 30 2HG LYS 30 -12.472 9.812 1.542 239 2HG LYS 30 1HG LYS 30 -12.736 8.943 3.054 240 1HD LYS 30 2HD LYS 30 -12.940 10.879 4.298 241 2HD LYS 30 1HD LYS 30 -11.881 11.801 3.229 242 1HE LYS 30 2HE LYS 30 -14.043 11.124 1.590 243 2HE LYS 30 1HE LYS 30 -14.787 11.544 3.146 244 1HZ LYS 30 1HZ LYS 30 -13.451 13.550 3.214 245 2HZ LYS 30 2HZ LYS 30 -14.383 13.523 1.793 246 3HZ LYS 30 3HZ LYS 30 -12.726 13.155 1.734 247 H ILE 31 H ILE 31 -8.435 8.865 0.473 248 HA ILE 31 HA ILE 31 -10.299 8.738 -1.843 249 HB ILE 31 HB ILE 31 -8.264 9.867 -2.950 250 1HG1 ILE 31 2HG1 ILE 31 -7.540 11.335 -0.643 251 2HG1 ILE 31 1HG1 ILE 31 -7.272 9.628 -0.327 252 1HG2 ILE 31 1HG2 ILE 31 -9.113 12.086 -2.097 253 2HG2 ILE 31 2HG2 ILE 31 -10.090 11.175 -0.946 254 3HG2 ILE 31 3HG2 ILE 31 -10.365 10.986 -2.676 255 1HD1 ILE 31 1HD1 ILE 31 -6.466 10.375 -3.024 256 2HD1 ILE 31 2HD1 ILE 31 -5.563 9.504 -1.785 257 3HD1 ILE 31 3HD1 ILE 31 -5.585 11.267 -1.784 258 H ILE 32 H ILE 32 -7.450 7.367 -0.448 259 HA ILE 32 HA ILE 32 -6.654 5.786 -2.759 260 HB ILE 32 HB ILE 32 -6.186 5.427 0.219 261 1HG1 ILE 32 2HG1 ILE 32 -5.305 7.498 -1.429 262 2HG1 ILE 32 1HG1 ILE 32 -4.541 7.001 0.080 263 1HG2 ILE 32 1HG2 ILE 32 -4.901 4.188 -2.231 264 2HG2 ILE 32 2HG2 ILE 32 -5.749 3.360 -0.926 265 3HG2 ILE 32 3HG2 ILE 32 -4.183 4.114 -0.622 266 1HD1 ILE 32 1HD1 ILE 32 -3.876 5.779 -2.602 267 2HD1 ILE 32 2HD1 ILE 32 -3.013 5.559 -1.081 268 3HD1 ILE 32 3HD1 ILE 32 -2.981 7.123 -1.897 269 H THR 33 H THR 33 -8.202 5.016 0.334 270 HA THR 33 HA THR 33 -9.034 2.421 -0.536 271 HB THR 33 HB THR 33 -8.986 4.046 1.828 272 HG1 THR 33 HG1 THR 33 -8.241 2.148 2.249 273 1HG2 THR 33 1HG2 THR 33 -11.630 2.716 1.241 274 2HG2 THR 33 2HG2 THR 33 -11.350 4.424 1.577 275 3HG2 THR 33 3HG2 THR 33 -11.114 3.224 2.848 276 H GLU 34 H GLU 34 -10.539 5.658 -0.467 277 HA GLU 34 HA GLU 34 -13.149 4.704 -1.319 278 1HB GLU 34 2HB GLU 34 -11.702 7.332 -1.150 279 2HB GLU 34 1HB GLU 34 -13.331 7.237 -1.810 280 1HG GLU 34 2HG GLU 34 -12.542 6.144 0.917 281 2HG GLU 34 1HG GLU 34 -13.304 7.717 0.670 282 H THR 35 H THR 35 -10.228 5.926 -3.064 283 HA THR 35 HA THR 35 -11.476 6.226 -5.630 284 HB THR 35 HB THR 35 -8.680 5.509 -4.730 285 HG1 THR 35 HG1 THR 35 -8.838 7.613 -4.586 286 1HG2 THR 35 1HG2 THR 35 -9.916 5.214 -7.391 287 2HG2 THR 35 2HG2 THR 35 -8.429 4.511 -6.765 288 3HG2 THR 35 3HG2 THR 35 -8.429 6.161 -7.390 289 H VAL 36 H VAL 36 -9.777 3.413 -4.209 290 HA VAL 36 HA VAL 36 -10.346 1.583 -6.315 291 HB VAL 36 HB VAL 36 -9.662 1.551 -3.440 292 1HG1 VAL 36 1HG1 VAL 36 -11.322 -0.659 -4.653 293 2HG1 VAL 36 2HG1 VAL 36 -11.533 0.143 -3.096 294 3HG1 VAL 36 3HG1 VAL 36 -10.191 -0.975 -3.339 295 1HG2 VAL 36 1HG2 VAL 36 -8.345 1.063 -5.722 296 2HG2 VAL 36 2HG2 VAL 36 -8.870 -0.583 -5.364 297 3HG2 VAL 36 3HG2 VAL 36 -7.885 0.302 -4.199 298 H ALA 37 H ALA 37 -12.264 2.798 -3.624 299 HA ALA 37 HA ALA 37 -14.602 1.137 -4.233 300 1HB ALA 37 1HB ALA 37 -14.020 1.827 -1.975 301 2HB ALA 37 2HB ALA 37 -15.575 2.523 -2.424 302 3HB ALA 37 3HB ALA 37 -14.123 3.520 -2.439 303 H LYS 38 H LYS 38 -13.191 3.836 -5.616 304 HA LYS 38 HA LYS 38 -15.785 5.038 -6.478 305 1HB LYS 38 2HB LYS 38 -13.389 6.134 -5.630 306 2HB LYS 38 1HB LYS 38 -13.236 6.213 -7.384 307 1HG LYS 38 2HG LYS 38 -14.492 8.086 -7.291 308 2HG LYS 38 1HG LYS 38 -15.857 7.040 -6.900 309 1HD LYS 38 2HD LYS 38 -13.959 8.233 -4.858 310 2HD LYS 38 1HD LYS 38 -15.559 8.872 -5.236 311 1HE LYS 38 2HE LYS 38 -15.292 5.971 -4.479 312 2HE LYS 38 1HE LYS 38 -15.296 7.210 -3.207 313 1HZ LYS 38 1HZ LYS 38 -17.289 8.171 -4.345 314 2HZ LYS 38 2HZ LYS 38 -17.551 6.655 -3.624 315 3HZ LYS 38 3HZ LYS 38 -17.349 6.775 -5.307 316 H GLY 39 H GLY 39 -13.023 3.202 -7.448 317 1HA GLY 39 2HA GLY 39 -13.303 1.658 -9.292 318 2HA GLY 39 1HA GLY 39 -14.265 2.886 -10.109 319 H ASP 40 H ASP 40 -11.125 3.355 -8.478 320 HA ASP 40 HA ASP 40 -9.945 3.876 -11.192 321 1HB ASP 40 2HB ASP 40 -10.560 5.729 -9.088 322 2HB ASP 40 1HB ASP 40 -8.808 5.654 -9.276 323 H LYS 41 H LYS 41 -7.953 2.972 -11.459 324 HA LYS 41 HA LYS 41 -6.827 1.298 -9.345 325 1HB LYS 41 2HB LYS 41 -6.838 1.483 -12.185 326 2HB LYS 41 1HB LYS 41 -5.155 1.622 -11.677 327 1HG LYS 41 2HG LYS 41 -5.087 -0.510 -10.836 328 2HG LYS 41 1HG LYS 41 -6.777 -0.476 -10.329 329 1HD LYS 41 2HD LYS 41 -7.072 -1.853 -12.126 330 2HD LYS 41 1HD LYS 41 -7.077 -0.337 -13.028 331 1HE LYS 41 2HE LYS 41 -4.595 -0.572 -13.343 332 2HE LYS 41 1HE LYS 41 -4.696 -2.171 -12.580 333 1HZ LYS 41 1HZ LYS 41 -4.950 -2.491 -14.911 334 2HZ LYS 41 2HZ LYS 41 -6.105 -1.251 -15.028 335 3HZ LYS 41 3HZ LYS 41 -6.484 -2.696 -14.217 336 H VAL 42 H VAL 42 -6.105 2.807 -7.766 337 HA VAL 42 HA VAL 42 -4.540 5.140 -8.229 338 HB VAL 42 HB VAL 42 -4.521 3.180 -5.908 339 1HG1 VAL 42 1HG1 VAL 42 -3.485 5.981 -6.280 340 2HG1 VAL 42 2HG1 VAL 42 -2.698 4.602 -5.511 341 3HG1 VAL 42 3HG1 VAL 42 -4.016 5.437 -4.688 342 1HG2 VAL 42 1HG2 VAL 42 -6.737 3.827 -5.968 343 2HG2 VAL 42 2HG2 VAL 42 -6.381 5.338 -6.805 344 3HG2 VAL 42 3HG2 VAL 42 -6.077 5.196 -5.073 345 H GLN 43 H GLN 43 -2.398 5.391 -8.779 346 HA GLN 43 HA GLN 43 -0.616 2.979 -8.649 347 1HB GLN 43 2HB GLN 43 -0.523 5.092 -10.808 348 2HB GLN 43 1HB GLN 43 0.140 3.459 -10.850 349 1HG GLN 43 2HG GLN 43 -2.462 2.865 -10.449 350 2HG GLN 43 1HG GLN 43 -2.644 4.387 -11.319 351 1HE2 GLN 43 1HE2 GLN 43 -3.363 3.419 -13.321 352 2HE2 GLN 43 2HE2 GLN 43 -2.342 2.460 -14.279 353 H LEU 44 H LEU 44 0.344 3.856 -6.676 354 HA LEU 44 HA LEU 44 1.336 6.511 -6.369 355 1HB LEU 44 2HB LEU 44 1.780 3.807 -5.207 356 2HB LEU 44 1HB LEU 44 3.011 5.019 -4.863 357 HG LEU 44 HG LEU 44 0.044 5.454 -4.428 358 1HD1 LEU 44 1HD1 LEU 44 0.938 5.379 -1.946 359 2HD1 LEU 44 2HD1 LEU 44 2.216 4.389 -2.643 360 3HD1 LEU 44 3HD1 LEU 44 0.535 3.878 -2.774 361 1HD2 LEU 44 1HD2 LEU 44 2.561 7.008 -3.833 362 2HD2 LEU 44 2HD2 LEU 44 1.064 7.307 -2.950 363 3HD2 LEU 44 3HD2 LEU 44 1.121 7.547 -4.696 364 H THR 45 H THR 45 2.650 7.381 -7.953 365 HA THR 45 HA THR 45 4.312 7.455 -9.656 366 HB THR 45 HB THR 45 5.654 8.279 -7.975 367 HG1 THR 45 HG1 THR 45 7.004 7.079 -9.344 368 1HG2 THR 45 1HG2 THR 45 4.538 7.150 -6.118 369 2HG2 THR 45 2HG2 THR 45 6.284 7.001 -5.933 370 3HG2 THR 45 3HG2 THR 45 5.342 5.637 -6.524 371 H GLY 46 H GLY 46 5.992 4.814 -8.040 372 1HA GLY 46 2HA GLY 46 5.112 2.873 -10.075 373 2HA GLY 46 1HA GLY 46 6.817 3.324 -10.124 374 H PHE 47 H PHE 47 5.057 3.183 -7.078 375 HA PHE 47 HA PHE 47 6.468 0.635 -6.465 376 1HB PHE 47 2HB PHE 47 7.472 1.537 -4.590 377 2HB PHE 47 1HB PHE 47 7.489 2.902 -5.691 378 HD1 PHE 47 HD1 PHE 47 5.584 1.386 -2.858 379 HD2 PHE 47 HD2 PHE 47 6.394 4.895 -5.170 380 HE1 PHE 47 HE1 PHE 47 4.321 2.744 -1.244 381 HE2 PHE 47 HE2 PHE 47 5.128 6.264 -3.550 382 HZ PHE 47 HZ PHE 47 4.079 5.178 -1.588 383 H LEU 48 H LEU 48 3.585 2.584 -5.944 384 HA LEU 48 HA LEU 48 2.461 0.169 -4.605 385 1HB LEU 48 2HB LEU 48 2.630 2.948 -3.722 386 2HB LEU 48 1HB LEU 48 1.014 2.259 -3.578 387 HG LEU 48 HG LEU 48 3.580 1.294 -2.319 388 1HD1 LEU 48 1HD1 LEU 48 2.215 1.385 -0.285 389 2HD1 LEU 48 2HD1 LEU 48 0.826 1.899 -1.245 390 3HD1 LEU 48 3HD1 LEU 48 2.240 2.944 -1.109 391 1HD2 LEU 48 1HD2 LEU 48 1.236 -0.284 -3.187 392 2HD2 LEU 48 2HD2 LEU 48 1.710 -0.527 -1.505 393 3HD2 LEU 48 3HD2 LEU 48 2.871 -0.818 -2.798 394 H ASN 49 H ASN 49 1.433 -0.609 -6.432 395 HA ASN 49 HA ASN 49 -0.467 1.195 -7.860 396 1HB ASN 49 2HB ASN 49 1.216 -1.138 -8.455 397 2HB ASN 49 1HB ASN 49 -0.414 -1.281 -9.114 398 1HD2 ASN 49 1HD2 ASN 49 0.386 -0.940 -11.324 399 2HD2 ASN 49 2HD2 ASN 49 0.888 0.595 -11.845 400 H ILE 50 H ILE 50 -2.107 1.145 -6.131 401 HA ILE 50 HA ILE 50 -3.259 -1.366 -5.201 402 HB ILE 50 HB ILE 50 -4.617 1.337 -5.249 403 1HG1 ILE 50 2HG1 ILE 50 -2.416 1.912 -4.481 404 2HG1 ILE 50 1HG1 ILE 50 -3.427 1.775 -3.047 405 1HG2 ILE 50 1HG2 ILE 50 -4.519 -0.572 -2.940 406 2HG2 ILE 50 2HG2 ILE 50 -5.577 -0.921 -4.308 407 3HG2 ILE 50 3HG2 ILE 50 -5.785 0.571 -3.391 408 1HD1 ILE 50 1HD1 ILE 50 -1.445 0.589 -2.509 409 2HD1 ILE 50 2HD1 ILE 50 -1.396 -0.195 -4.087 410 3HD1 ILE 50 3HD1 ILE 50 -2.626 -0.658 -2.911 411 H LYS 51 H LYS 51 -4.863 -2.593 -6.290 412 HA LYS 51 HA LYS 51 -6.440 -1.180 -8.405 413 1HB LYS 51 2HB LYS 51 -5.869 -3.186 -9.916 414 2HB LYS 51 1HB LYS 51 -4.587 -2.009 -9.640 415 1HG LYS 51 2HG LYS 51 -3.360 -3.441 -8.311 416 2HG LYS 51 1HG LYS 51 -4.787 -4.303 -7.740 417 1HD LYS 51 2HD LYS 51 -3.873 -4.477 -10.613 418 2HD LYS 51 1HD LYS 51 -3.252 -5.566 -9.372 419 1HE LYS 51 2HE LYS 51 -5.342 -6.582 -9.031 420 2HE LYS 51 1HE LYS 51 -6.228 -5.200 -9.706 421 1HZ LYS 51 1HZ LYS 51 -4.403 -6.995 -11.217 422 2HZ LYS 51 2HZ LYS 51 -5.223 -5.653 -11.859 423 3HZ LYS 51 3HZ LYS 51 -6.096 -7.005 -11.317 424 HA PRO 52 HA PRO 52 -9.317 -3.927 -6.305 425 1HB PRO 52 2HB PRO 52 -11.579 -2.659 -7.125 426 2HB PRO 52 1HB PRO 52 -10.578 -2.065 -5.787 427 1HG PRO 52 2HG PRO 52 -10.768 -1.103 -8.578 428 2HG PRO 52 1HG PRO 52 -10.475 -0.200 -7.088 429 1HD PRO 52 2HD PRO 52 -8.533 -0.918 -8.930 430 2HD PRO 52 1HD PRO 52 -8.226 -0.459 -7.242 431 H VAL 53 H VAL 53 -10.468 -5.667 -7.038 432 HA VAL 53 HA VAL 53 -11.226 -5.797 -9.899 433 HB VAL 53 HB VAL 53 -10.068 -7.954 -10.113 434 1HG1 VAL 53 1HG1 VAL 53 -8.929 -5.612 -10.399 435 2HG1 VAL 53 2HG1 VAL 53 -7.903 -7.047 -10.347 436 3HG1 VAL 53 3HG1 VAL 53 -8.075 -6.033 -8.915 437 1HG2 VAL 53 1HG2 VAL 53 -8.358 -8.321 -8.116 438 2HG2 VAL 53 2HG2 VAL 53 -10.007 -8.938 -7.998 439 3HG2 VAL 53 3HG2 VAL 53 -9.572 -7.428 -7.208 440 H ALA 54 H ALA 54 -13.304 -6.316 -9.895 441 HA ALA 54 HA ALA 54 -15.017 -7.034 -7.918 442 1HB ALA 54 1HB ALA 54 -15.454 -8.598 -10.373 443 2HB ALA 54 2HB ALA 54 -15.094 -6.893 -10.646 444 3HB ALA 54 3HB ALA 54 -16.463 -7.356 -9.633 445 H ARG 55 H ARG 55 -15.167 -8.613 -6.472 446 HA ARG 55 HA ARG 55 -14.879 -11.430 -7.110 447 1HB ARG 55 2HB ARG 55 -12.507 -10.727 -7.067 448 2HB ARG 55 1HB ARG 55 -12.740 -10.013 -5.472 449 1HG ARG 55 2HG ARG 55 -12.700 -12.034 -4.415 450 2HG ARG 55 1HG ARG 55 -13.574 -12.844 -5.716 451 1HD ARG 55 2HD ARG 55 -11.587 -13.088 -7.033 452 2HD ARG 55 1HD ARG 55 -10.682 -11.969 -5.995 453 HE ARG 55 HE ARG 55 -10.739 -13.650 -4.218 454 1HH1 ARG 55 1HH1 ARG 55 -13.158 -14.742 -6.156 455 2HH1 ARG 55 2HH1 ARG 55 -12.586 -16.369 -6.311 456 1HH2 ARG 55 1HH2 ARG 55 -9.496 -15.699 -4.889 457 2HH2 ARG 55 2HH2 ARG 55 -10.512 -16.911 -5.593 458 H GLN 56 H GLN 56 -16.423 -12.291 -5.732 459 HA GLN 56 HA GLN 56 -17.624 -10.788 -3.637 460 1HB GLN 56 2HB GLN 56 -18.709 -12.945 -3.109 461 2HB GLN 56 1HB GLN 56 -18.687 -12.631 -4.841 462 1HG GLN 56 2HG GLN 56 -16.255 -13.976 -4.207 463 2HG GLN 56 1HG GLN 56 -17.563 -14.865 -3.425 464 1HE2 GLN 56 1HE2 GLN 56 -19.660 -14.402 -5.300 465 2HE2 GLN 56 2HE2 GLN 56 -19.253 -15.153 -6.767 466 H ALA 57 H ALA 57 -17.495 -13.207 -1.694 467 HA ALA 57 HA ALA 57 -14.764 -13.105 -0.622 468 1HB ALA 57 1HB ALA 57 -15.151 -11.079 0.352 469 2HB ALA 57 2HB ALA 57 -16.201 -11.956 1.464 470 3HB ALA 57 3HB ALA 57 -16.882 -11.178 0.035 471 H ARG 58 H ARG 58 -14.518 -14.987 0.625 472 HA ARG 58 HA ARG 58 -16.595 -15.929 2.399 473 1HB ARG 58 2HB ARG 58 -17.773 -17.174 0.947 474 2HB ARG 58 1HB ARG 58 -16.789 -16.555 -0.356 475 1HG ARG 58 2HG ARG 58 -15.106 -18.389 0.238 476 2HG ARG 58 1HG ARG 58 -16.364 -19.066 1.277 477 1HD ARG 58 2HD ARG 58 -17.721 -19.662 -0.522 478 2HD ARG 58 1HD ARG 58 -17.058 -18.394 -1.573 479 HE ARG 58 HE ARG 58 -14.887 -19.779 -1.499 480 1HH1 ARG 58 1HH2 ARG 58 -17.175 -20.897 -3.225 481 2HH1 ARG 58 2HH2 ARG 58 -17.110 -22.573 -2.794 482 1HH2 ARG 58 1HH1 ARG 58 -15.156 -22.046 0.022 483 2HH2 ARG 58 2HH1 ARG 58 -15.967 -23.224 -0.955 484 H LYS 59 H LYS 59 -15.916 -18.030 3.447 485 HA LYS 59 HA LYS 59 -13.212 -19.022 2.952 486 1HB LYS 59 2HB LYS 59 -13.194 -16.646 4.032 487 2HB LYS 59 1HB LYS 59 -13.645 -17.503 5.505 488 1HG LYS 59 2HG LYS 59 -11.525 -18.213 5.811 489 2HG LYS 59 1HG LYS 59 -11.474 -18.889 4.183 490 1HD LYS 59 2HD LYS 59 -9.737 -17.185 4.410 491 2HD LYS 59 1HD LYS 59 -10.975 -16.616 3.290 492 1HE LYS 59 2HE LYS 59 -11.954 -15.182 4.959 493 2HE LYS 59 1HE LYS 59 -10.970 -15.911 6.244 494 1HZ LYS 59 1HZ LYS 59 -9.000 -15.080 5.285 495 2HZ LYS 59 2HZ LYS 59 -10.084 -13.772 5.282 496 3HZ LYS 59 3HZ LYS 59 -9.783 -14.633 3.848 497 H GLY 60 H GLY 60 -16.175 -19.851 3.814 498 1HA GLY 60 2HA GLY 60 -15.329 -22.153 5.316 499 2HA GLY 60 1HA GLY 60 -16.074 -20.979 6.391 500 H PHE 61 H PHE 61 -18.017 -21.803 6.847 501 HA PHE 61 HA PHE 61 -20.194 -21.923 4.970 502 1HB PHE 61 2HB PHE 61 -20.374 -24.382 4.809 503 2HB PHE 61 1HB PHE 61 -18.769 -23.892 4.249 504 HD1 PHE 61 HD1 PHE 61 -20.658 -25.532 6.961 505 HD2 PHE 61 HD2 PHE 61 -16.802 -24.141 5.698 506 HE1 PHE 61 HE1 PHE 61 -19.603 -26.760 8.800 507 HE2 PHE 61 HE2 PHE 61 -15.744 -25.389 7.531 508 HZ PHE 61 HZ PHE 61 -17.137 -26.717 9.092 509 H ASN 62 H ASN 62 -21.782 -23.869 6.138 510 HA ASN 62 HA ASN 62 -21.590 -23.696 9.036 511 1HB ASN 62 2HB ASN 62 -23.584 -22.390 9.369 512 2HB ASN 62 1HB ASN 62 -22.508 -21.530 8.281 513 1HD2 ASN 62 1HD2 ASN 62 -22.978 -22.026 5.818 514 2HD2 ASN 62 2HD2 ASN 62 -24.616 -22.120 5.384 515 HA PRO 63 HA PRO 63 -25.242 -26.532 7.667 516 1HB PRO 63 2HB PRO 63 -24.646 -28.098 5.494 517 2HB PRO 63 1HB PRO 63 -25.571 -26.586 5.378 518 1HG PRO 63 2HG PRO 63 -22.703 -27.100 4.789 519 2HG PRO 63 1HG PRO 63 -23.862 -26.065 3.942 520 1HD PRO 63 2HD PRO 63 -21.981 -25.121 5.652 521 2HD PRO 63 1HD PRO 63 -23.534 -24.305 5.375 522 H GLN 64 H GLN 64 -21.849 -26.855 7.625 523 HA GLN 64 HA GLN 64 -21.917 -29.647 8.617 524 1HB GLN 64 2HB GLN 64 -20.187 -28.026 6.992 525 2HB GLN 64 1HB GLN 64 -19.291 -28.614 8.393 526 1HG GLN 64 2HG GLN 64 -21.030 -30.605 7.045 527 2HG GLN 64 1HG GLN 64 -19.619 -30.072 6.131 528 1HE2 GLN 64 1HE2 GLN 64 -18.569 -32.184 6.439 529 2HE2 GLN 64 2HE2 GLN 64 -17.911 -32.618 7.942 530 H THR 65 H THR 65 -22.978 -27.551 10.241 531 HA THR 65 HA THR 65 -22.866 -26.735 12.445 532 HB THR 65 HB THR 65 -21.846 -28.208 13.974 533 HG1 THR 65 HG1 THR 65 -19.729 -28.008 13.338 534 1HG2 THR 65 1HG2 THR 65 -22.473 -30.338 13.249 535 2HG2 THR 65 2HG2 THR 65 -21.884 -30.062 11.610 536 3HG2 THR 65 3HG2 THR 65 -23.378 -29.296 12.150 537 H GLN 66 H GLN 66 -21.798 -24.861 10.970 538 HA GLN 66 HA GLN 66 -19.437 -23.933 12.473 539 1HB GLN 66 2HB GLN 66 -19.250 -25.335 10.044 540 2HB GLN 66 1HB GLN 66 -18.893 -23.656 9.663 541 1HG GLN 66 2HG GLN 66 -16.789 -24.469 10.279 542 2HG GLN 66 1HG GLN 66 -17.369 -23.776 11.792 543 1HE2 GLN 66 1HE2 GLN 66 -18.555 -26.877 10.430 544 2HE2 GLN 66 2HE2 GLN 66 -17.930 -27.840 11.674 545 H GLU 67 H GLU 67 -19.987 -21.816 12.922 546 HA GLU 67 HA GLU 67 -22.008 -20.236 11.879 547 1HB GLU 67 2HB GLU 67 -20.262 -19.888 13.800 548 2HB GLU 67 1HB GLU 67 -19.296 -19.096 12.555 549 1HG GLU 67 2HG GLU 67 -20.474 -17.227 13.048 550 2HG GLU 67 1HG GLU 67 -21.808 -17.988 12.181 551 H ALA 68 H ALA 68 -22.226 -20.380 9.661 552 HA ALA 68 HA ALA 68 -20.466 -20.455 7.562 553 1HB ALA 68 1HB ALA 68 -23.167 -19.712 8.024 554 2HB ALA 68 2HB ALA 68 -22.427 -20.324 6.546 555 3HB ALA 68 3HB ALA 68 -22.476 -18.589 6.853 556 H LEU 69 H LEU 69 -19.036 -19.270 6.616 557 HA LEU 69 HA LEU 69 -18.838 -16.323 7.008 558 1HB LEU 69 2HB LEU 69 -16.282 -17.828 7.047 559 2HB LEU 69 1HB LEU 69 -16.798 -16.498 8.080 560 HG LEU 69 HG LEU 69 -18.348 -18.234 9.193 561 1HD1 LEU 69 1HD1 LEU 69 -16.449 -20.379 8.626 562 2HD1 LEU 69 2HD1 LEU 69 -17.329 -19.870 7.186 563 3HD1 LEU 69 3HD1 LEU 69 -18.213 -20.414 8.609 564 1HD2 LEU 69 1HD2 LEU 69 -16.082 -17.240 10.013 565 2HD2 LEU 69 2HD2 LEU 69 -15.441 -18.839 9.633 566 3HD2 LEU 69 3HD2 LEU 69 -16.730 -18.666 10.825 567 H GLU 70 H GLU 70 -19.874 -17.526 4.780 568 HA GLU 70 HA GLU 70 -17.643 -17.932 2.882 569 1HB GLU 70 2HB GLU 70 -20.561 -18.448 2.330 570 2HB GLU 70 1HB GLU 70 -19.150 -19.284 1.689 571 1HG GLU 70 2HG GLU 70 -19.671 -20.866 3.239 572 2HG GLU 70 1HG GLU 70 -18.875 -19.770 4.369 573 H ILE 71 H ILE 71 -19.826 -17.470 0.757 574 HA ILE 71 HA ILE 71 -19.091 -15.402 -0.597 575 HB ILE 71 HB ILE 71 -20.908 -16.707 -1.255 576 1HG1 ILE 71 2HG1 ILE 71 -22.592 -15.072 -1.901 577 2HG1 ILE 71 1HG1 ILE 71 -21.929 -13.933 -0.732 578 1HG2 ILE 71 1HG2 ILE 71 -23.118 -16.565 -0.094 579 2HG2 ILE 71 2HG2 ILE 71 -22.363 -15.547 1.132 580 3HG2 ILE 71 3HG2 ILE 71 -21.845 -17.221 0.935 581 1HD1 ILE 71 1HD1 ILE 71 -19.734 -14.808 -2.276 582 2HD1 ILE 71 2HD1 ILE 71 -20.497 -13.220 -2.324 583 3HD1 ILE 71 3HD1 ILE 71 -21.030 -14.486 -3.427 584 H ALA 72 H ALA 72 -19.251 -13.348 -0.801 585 HA ALA 72 HA ALA 72 -20.663 -11.503 0.888 586 1HB ALA 72 1HB ALA 72 -19.202 -11.543 2.623 587 2HB ALA 72 2HB ALA 72 -18.048 -10.763 1.543 588 3HB ALA 72 3HB ALA 72 -18.052 -12.516 1.710 589 HA PRO 73 HA PRO 73 -19.416 -9.147 -2.625 590 1HB PRO 73 2HB PRO 73 -20.549 -6.777 -1.859 591 2HB PRO 73 1HB PRO 73 -21.508 -8.186 -2.351 592 1HG PRO 73 2HG PRO 73 -21.130 -7.032 0.314 593 2HG PRO 73 1HG PRO 73 -22.402 -8.105 -0.279 594 1HD PRO 73 2HD PRO 73 -20.080 -8.801 1.282 595 2HD PRO 73 1HD PRO 73 -21.383 -9.866 0.711 596 H SER 74 H SER 74 -17.323 -8.345 -2.986 597 HA SER 74 HA SER 74 -16.380 -5.912 -1.762 598 1HB SER 74 2HB SER 74 -14.822 -6.763 -0.174 599 2HB SER 74 1HB SER 74 -16.279 -7.709 0.097 600 HG SER 74 HG SER 74 -13.996 -8.708 -0.301 601 H VAL 75 H VAL 75 -15.437 -5.205 -3.698 602 HA VAL 75 HA VAL 75 -14.329 -6.733 -5.763 603 HB VAL 75 HB VAL 75 -14.702 -4.099 -5.270 604 1HG1 VAL 75 1HG1 VAL 75 -12.632 -2.901 -5.115 605 2HG1 VAL 75 2HG1 VAL 75 -11.688 -4.378 -5.311 606 3HG1 VAL 75 3HG1 VAL 75 -12.600 -4.104 -3.826 607 1HG2 VAL 75 1HG2 VAL 75 -14.394 -5.321 -7.471 608 2HG2 VAL 75 2HG2 VAL 75 -12.661 -5.061 -7.282 609 3HG2 VAL 75 3HG2 VAL 75 -13.749 -3.682 -7.429 610 H GLY 76 H GLY 76 -11.869 -6.749 -6.339 611 1HA GLY 76 2HA GLY 76 -10.444 -7.822 -3.946 612 2HA GLY 76 1HA GLY 76 -10.049 -8.217 -5.619 613 H VAL 77 H VAL 77 -10.029 -5.565 -3.273 614 HA VAL 77 HA VAL 77 -8.559 -3.673 -4.802 615 HB VAL 77 HB VAL 77 -9.728 -3.127 -2.741 616 1HG1 VAL 77 1HG1 VAL 77 -8.438 -3.991 -0.569 617 2HG1 VAL 77 2HG1 VAL 77 -8.006 -5.315 -1.650 618 3HG1 VAL 77 3HG1 VAL 77 -9.700 -4.957 -1.331 619 1HG2 VAL 77 1HG2 VAL 77 -8.152 -1.496 -2.697 620 2HG2 VAL 77 2HG2 VAL 77 -6.840 -2.626 -3.023 621 3HG2 VAL 77 3HG2 VAL 77 -7.442 -2.425 -1.380 622 H SER 78 H SER 78 -7.077 -5.307 -5.872 623 HA SER 78 HA SER 78 -4.953 -6.559 -4.372 624 1HB SER 78 2HB SER 78 -5.812 -6.153 -7.129 625 2HB SER 78 1HB SER 78 -4.059 -6.063 -6.983 626 HG SER 78 HG SER 78 -4.078 -8.077 -5.995 627 H VAL 79 H VAL 79 -2.592 -5.878 -5.023 628 HA VAL 79 HA VAL 79 -1.856 -3.178 -5.550 629 HB VAL 79 HB VAL 79 -2.970 -2.496 -3.570 630 1HG1 VAL 79 1HG1 VAL 79 -3.731 -4.380 -2.485 631 2HG1 VAL 79 2HG1 VAL 79 -2.418 -3.939 -1.394 632 3HG1 VAL 79 3HG1 VAL 79 -2.176 -5.205 -2.598 633 1HG2 VAL 79 1HG2 VAL 79 -1.266 -1.940 -1.929 634 2HG2 VAL 79 2HG2 VAL 79 -0.555 -1.811 -3.535 635 3HG2 VAL 79 3HG2 VAL 79 -0.213 -3.219 -2.532 636 H LYS 80 H LYS 80 0.528 -2.827 -4.599 637 HA LYS 80 HA LYS 80 2.011 -5.067 -3.631 638 1HB LYS 80 2HB LYS 80 3.187 -5.602 -5.776 639 2HB LYS 80 1HB LYS 80 1.466 -5.972 -5.847 640 1HG LYS 80 2HG LYS 80 1.090 -4.426 -7.458 641 2HG LYS 80 1HG LYS 80 2.077 -3.214 -6.642 642 1HD LYS 80 2HD LYS 80 3.126 -3.754 -8.765 643 2HD LYS 80 1HD LYS 80 4.122 -4.413 -7.466 644 1HE LYS 80 2HE LYS 80 3.560 -6.613 -7.965 645 2HE LYS 80 1HE LYS 80 1.987 -6.161 -8.652 646 1HZ LYS 80 1HZ LYS 80 3.584 -6.722 -10.396 647 2HZ LYS 80 2HZ LYS 80 4.635 -5.510 -9.838 648 3HZ LYS 80 3HZ LYS 80 3.123 -5.093 -10.491 649 HA PRO 81 HA PRO 81 5.084 -1.834 -3.623 650 1HB PRO 81 2HB PRO 81 7.253 -3.370 -3.014 651 2HB PRO 81 1HB PRO 81 5.931 -3.089 -1.865 652 1HG PRO 81 2HG PRO 81 6.651 -5.529 -3.275 653 2HG PRO 81 1HG PRO 81 5.556 -5.308 -1.905 654 1HD PRO 81 2HD PRO 81 4.905 -5.578 -4.734 655 2HD PRO 81 1HD PRO 81 3.824 -5.620 -3.324 656 H GLY 82 H GLY 82 6.310 -0.818 -5.212 657 1HA GLY 82 2HA GLY 82 7.192 -2.429 -7.544 658 2HA GLY 82 1HA GLY 82 7.155 -0.666 -7.475 659 H GLU 83 H GLU 83 9.485 -1.525 -8.412 660 HA GLU 83 HA GLU 83 11.442 -2.332 -6.457 661 1HB GLU 83 2HB GLU 83 13.029 -1.599 -8.239 662 2HB GLU 83 1HB GLU 83 11.748 -2.646 -8.847 663 1HG GLU 83 2HG GLU 83 10.721 -0.023 -9.008 664 2HG GLU 83 1HG GLU 83 12.380 0.081 -9.595 665 H SER 84 H SER 84 9.968 0.739 -7.144 666 HA SER 84 HA SER 84 11.968 2.597 -6.466 667 1HB SER 84 2HB SER 84 9.241 2.577 -6.929 668 2HB SER 84 1HB SER 84 9.336 3.090 -5.247 669 HG SER 84 HG SER 84 10.468 4.838 -5.831 670 H LEU 85 H LEU 85 9.919 0.619 -4.333 671 HA LEU 85 HA LEU 85 11.012 1.731 -1.860 672 1HB LEU 85 2HB LEU 85 9.659 -0.951 -2.267 673 2HB LEU 85 1HB LEU 85 9.651 0.050 -0.819 674 HG LEU 85 HG LEU 85 8.577 1.464 -3.142 675 1HD1 LEU 85 1HD1 LEU 85 6.835 -0.768 -2.139 676 2HD1 LEU 85 2HD1 LEU 85 7.973 -1.081 -3.450 677 3HD1 LEU 85 3HD1 LEU 85 6.719 0.139 -3.644 678 1HD2 LEU 85 1HD2 LEU 85 6.614 1.194 -1.181 679 2HD2 LEU 85 2HD2 LEU 85 7.775 2.514 -1.305 680 3HD2 LEU 85 3HD2 LEU 85 8.123 1.130 -0.271 681 H LYS 86 H LYS 86 11.647 -1.025 -3.966 682 HA LYS 86 HA LYS 86 13.501 -2.348 -2.198 683 1HB LYS 86 2HB LYS 86 12.180 -2.783 -4.664 684 2HB LYS 86 1HB LYS 86 13.906 -2.921 -4.998 685 1HG LYS 86 2HG LYS 86 14.187 -4.687 -3.467 686 2HG LYS 86 1HG LYS 86 12.689 -4.312 -2.618 687 1HD LYS 86 2HD LYS 86 12.391 -4.963 -5.494 688 2HD LYS 86 1HD LYS 86 12.903 -6.299 -4.462 689 1HE LYS 86 2HE LYS 86 10.972 -5.983 -3.004 690 2HE LYS 86 1HE LYS 86 10.486 -4.539 -3.913 691 1HZ LYS 86 1HZ LYS 86 10.796 -7.264 -5.059 692 2HZ LYS 86 2HZ LYS 86 10.311 -5.874 -5.908 693 3HZ LYS 86 3HZ LYS 86 9.314 -6.524 -4.696 694 H LYS 87 H LYS 87 13.929 -0.197 -4.985 695 HA LYS 87 HA LYS 87 16.786 -0.277 -4.989 696 1HB LYS 87 2HB LYS 87 15.419 0.620 -6.836 697 2HB LYS 87 1HB LYS 87 14.791 1.882 -5.778 698 1HG LYS 87 2HG LYS 87 16.488 3.128 -6.654 699 2HG LYS 87 1HG LYS 87 17.481 2.260 -5.482 700 1HD LYS 87 2HD LYS 87 18.605 1.998 -7.565 701 2HD LYS 87 1HD LYS 87 17.775 0.466 -7.289 702 1HE LYS 87 2HE LYS 87 17.064 0.851 -9.460 703 2HE LYS 87 1HE LYS 87 15.819 1.794 -8.615 704 1HZ LYS 87 1HZ LYS 87 16.947 3.127 -10.308 705 2HZ LYS 87 2HZ LYS 87 18.440 2.848 -9.545 706 3HZ LYS 87 3HZ LYS 87 17.231 3.741 -8.753 707 H ALA 88 H ALA 88 14.380 1.680 -3.320 708 HA ALA 88 HA ALA 88 16.272 3.339 -1.876 709 1HB ALA 88 1HB ALA 88 13.377 2.505 -1.581 710 2HB ALA 88 2HB ALA 88 14.015 4.095 -1.999 711 3HB ALA 88 3HB ALA 88 14.158 3.494 -0.347 712 H ALA 89 H ALA 89 14.687 0.218 -1.464 713 HA ALA 89 HA ALA 89 15.470 -0.360 1.215 714 1HB ALA 89 1HB ALA 89 13.863 -1.569 -0.406 715 2HB ALA 89 2HB ALA 89 14.835 -2.572 0.666 716 3HB ALA 89 3HB ALA 89 15.304 -2.372 -1.021 717 H GLU 90 H GLU 90 17.167 -0.590 -1.868 718 HA GLU 90 HA GLU 90 19.487 -2.017 -1.000 719 1HB GLU 90 2HB GLU 90 20.113 -1.484 -3.139 720 2HB GLU 90 1HB GLU 90 18.558 -0.675 -3.285 721 1HG GLU 90 2HG GLU 90 19.579 1.428 -2.474 722 2HG GLU 90 1HG GLU 90 21.137 0.615 -2.341 723 H GLY 91 H GLY 91 18.356 1.286 -0.683 724 1HA GLY 91 2HA GLY 91 20.694 2.481 0.456 725 2HA GLY 91 1HA GLY 91 19.045 3.056 0.699 726 H LEU 92 H LEU 92 17.893 0.821 2.056 727 HA LEU 92 HA LEU 92 18.672 1.245 4.746 728 1HB LEU 92 2HB LEU 92 16.994 -0.313 5.166 729 2HB LEU 92 1HB LEU 92 16.605 0.115 3.504 730 HG LEU 92 HG LEU 92 18.333 -1.859 2.990 731 1HD1 LEU 92 1HD1 LEU 92 17.291 -3.556 4.937 732 2HD1 LEU 92 2HD1 LEU 92 17.705 -2.098 5.838 733 3HD1 LEU 92 3HD1 LEU 92 18.938 -2.928 4.890 734 1HD2 LEU 92 1HD2 LEU 92 16.476 -2.943 2.234 735 2HD2 LEU 92 2HD2 LEU 92 15.625 -1.500 2.779 736 3HD2 LEU 92 3HD2 LEU 92 15.703 -2.922 3.818 737 H LYS 93 H LYS 93 20.484 -0.342 2.394 738 HA LYS 93 HA LYS 93 22.433 -1.665 2.549 739 1HB LYS 93 2HB LYS 93 22.009 -1.449 5.554 740 2HB LYS 93 1HB LYS 93 23.516 -1.801 4.715 741 1HG LYS 93 2HG LYS 93 21.980 0.795 4.410 742 2HG LYS 93 1HG LYS 93 23.349 0.577 5.501 743 1HD LYS 93 2HD LYS 93 23.487 0.030 2.524 744 2HD LYS 93 1HD LYS 93 23.955 1.566 3.254 745 1HE LYS 93 2HE LYS 93 25.315 -0.257 4.827 746 2HE LYS 93 1HE LYS 93 25.411 -0.988 3.213 747 1HZ LYS 93 1HZ LYS 93 27.182 0.611 3.470 748 2HZ LYS 93 2HZ LYS 93 26.078 1.822 3.919 749 3HZ LYS 93 3HZ LYS 93 26.062 1.199 2.339 750 H TYR 94 H TYR 94 20.308 -2.958 1.852 751 HA TYR 94 HA TYR 94 18.874 -4.813 3.220 752 1HB TYR 94 2HB TYR 94 18.705 -4.644 0.869 753 2HB TYR 94 1HB TYR 94 20.418 -4.980 0.637 754 HD1 TYR 94 HD1 TYR 94 17.425 -6.604 2.256 755 HD2 TYR 94 HD2 TYR 94 20.958 -7.066 -0.133 756 HE1 TYR 94 HE1 TYR 94 16.988 -9.039 2.051 757 HE2 TYR 94 HE2 TYR 94 20.518 -9.497 -0.333 758 HH TYR 94 HH TYR 94 18.845 -11.216 1.510 759 H GLU 95 H GLU 95 22.366 -5.063 2.605 760 HA GLU 95 HA GLU 95 22.744 -7.767 3.451 761 1HB GLU 95 2HB GLU 95 24.554 -5.347 3.725 762 2HB GLU 95 1HB GLU 95 25.077 -7.031 3.780 763 1HG GLU 95 2HG GLU 95 24.869 -7.314 1.518 764 2HG GLU 95 1HG GLU 95 23.474 -6.240 1.407 765 H ASP 96 H ASP 96 22.921 -4.704 5.274 766 HA ASP 96 HA ASP 96 23.463 -5.778 7.855 767 1HB ASP 96 2HB ASP 96 22.866 -3.301 6.655 768 2HB ASP 96 1HB ASP 96 21.596 -3.534 7.857 769 H PHE 97 H PHE 97 20.444 -5.252 6.094 770 HA PHE 97 HA PHE 97 18.659 -6.193 8.179 771 1HB PHE 97 2HB PHE 97 18.558 -5.002 5.617 772 2HB PHE 97 1HB PHE 97 17.745 -6.553 5.433 773 HD1 PHE 97 HD1 PHE 97 15.445 -6.190 5.469 774 HD2 PHE 97 HD2 PHE 97 17.936 -4.157 8.316 775 HE1 PHE 97 HE1 PHE 97 13.426 -5.263 6.569 776 HE2 PHE 97 HE2 PHE 97 15.916 -3.229 9.418 777 HZ PHE 97 HZ PHE 97 13.662 -3.782 8.545 778 H ALA 98 H ALA 98 20.574 -7.653 5.644 779 HA ALA 98 HA ALA 98 19.338 -10.213 5.431 780 1HB ALA 98 1HB ALA 98 21.256 -10.693 4.174 781 2HB ALA 98 2HB ALA 98 22.308 -9.782 5.259 782 3HB ALA 98 3HB ALA 98 21.256 -8.930 4.128 783 H LYS 99 H LYS 99 22.018 -9.085 7.492 784 HA LYS 99 HA LYS 99 22.224 -11.644 8.903 785 1HB LYS 99 2HB LYS 99 23.396 -8.885 9.401 786 2HB LYS 99 1HB LYS 99 23.923 -10.368 10.199 787 1HG LYS 99 2HG LYS 99 24.522 -11.334 8.004 788 2HG LYS 99 1HG LYS 99 24.011 -9.843 7.212 789 1HD LYS 99 2HD LYS 99 25.999 -9.638 9.437 790 2HD LYS 99 1HD LYS 99 26.560 -10.241 7.877 791 1HE LYS 99 2HE LYS 99 25.032 -8.066 7.127 792 2HE LYS 99 1HE LYS 99 25.776 -7.508 8.639 793 1HZ LYS 99 1HZ LYS 99 27.235 -7.162 6.704 794 2HZ LYS 99 2HZ LYS 99 27.236 -8.836 6.416 795 3HZ LYS 99 3HZ LYS 99 27.921 -8.217 7.842 796 1H MET 1 1H MET 1 -4.691 6.797 -11.547 797 2H MET 1 2H MET 1 -6.066 6.951 -10.561 798 3H MET 1 3H MET 1 -4.788 5.935 -10.089 799 HA MET 1 HA MET 1 -4.533 8.879 -10.398 800 1HB MET 1 2HB MET 1 -5.484 7.060 -8.239 801 2HB MET 1 1HB MET 1 -4.434 8.388 -7.747 802 1HG MET 1 2HG MET 1 -5.934 10.025 -8.512 803 2HG MET 1 1HG MET 1 -6.778 8.893 -9.569 804 1HE MET 1 1HE MET 1 -5.623 8.307 -5.814 805 2HE MET 1 2HE MET 1 -6.950 9.128 -4.997 806 3HE MET 1 3HE MET 1 -5.907 10.030 -6.093 807 H ASN 2 H ASN 2 -2.573 9.474 -8.824 808 HA ASN 2 HA ASN 2 -0.584 7.482 -8.296 809 1HB ASN 2 2HB ASN 2 0.970 8.043 -10.152 810 2HB ASN 2 1HB ASN 2 -0.553 7.398 -10.760 811 1HD2 ASN 2 1HD2 ASN 2 1.587 9.647 -11.623 812 2HD2 ASN 2 2HD2 ASN 2 0.567 10.874 -12.200 813 H LYS 3 H LYS 3 1.766 8.980 -8.634 814 HA LYS 3 HA LYS 3 1.784 10.675 -6.366 815 1HB LYS 3 2HB LYS 3 3.541 9.904 -8.579 816 2HB LYS 3 1HB LYS 3 3.856 11.544 -8.014 817 1HG LYS 3 2HG LYS 3 3.516 10.071 -5.660 818 2HG LYS 3 1HG LYS 3 4.441 8.998 -6.706 819 1HD LYS 3 2HD LYS 3 5.706 11.394 -7.138 820 2HD LYS 3 1HD LYS 3 5.239 11.543 -5.444 821 1HE LYS 3 2HE LYS 3 7.155 10.347 -5.023 822 2HE LYS 3 1HE LYS 3 6.221 8.943 -5.571 823 1HZ LYS 3 1HZ LYS 3 7.997 8.934 -7.024 824 2HZ LYS 3 2HZ LYS 3 8.098 10.628 -7.095 825 3HZ LYS 3 3HZ LYS 3 6.851 9.815 -7.911 826 H THR 4 H THR 4 0.249 11.305 -9.294 827 HA THR 4 HA THR 4 0.484 14.269 -8.917 828 HB THR 4 HB THR 4 -0.139 12.597 -11.376 829 HG1 THR 4 HG1 THR 4 1.908 13.235 -12.017 830 1HG2 THR 4 1HG2 THR 4 -0.043 15.559 -10.859 831 2HG2 THR 4 2HG2 THR 4 -1.264 14.627 -11.724 832 3HG2 THR 4 3HG2 THR 4 0.311 14.919 -12.463 833 H GLU 5 H GLU 5 -1.762 11.872 -10.318 834 HA GLU 5 HA GLU 5 -4.138 13.342 -10.055 835 1HB GLU 5 2HB GLU 5 -3.366 10.454 -10.117 836 2HB GLU 5 1HB GLU 5 -5.040 10.857 -9.748 837 1HG GLU 5 2HG GLU 5 -4.799 10.531 -12.154 838 2HG GLU 5 1HG GLU 5 -5.135 12.229 -11.825 839 H LEU 6 H LEU 6 -2.575 11.161 -7.685 840 HA LEU 6 HA LEU 6 -4.539 11.470 -5.617 841 1HB LEU 6 2HB LEU 6 -1.612 10.783 -5.749 842 2HB LEU 6 1HB LEU 6 -2.400 10.953 -4.184 843 HG LEU 6 HG LEU 6 -3.895 9.329 -6.146 844 1HD1 LEU 6 1HD1 LEU 6 -1.078 8.750 -5.452 845 2HD1 LEU 6 2HD1 LEU 6 -2.052 8.156 -6.797 846 3HD1 LEU 6 3HD1 LEU 6 -2.196 7.408 -5.208 847 1HD2 LEU 6 1HD2 LEU 6 -4.356 9.735 -3.642 848 2HD2 LEU 6 2HD2 LEU 6 -3.011 8.635 -3.340 849 3HD2 LEU 6 3HD2 LEU 6 -4.437 8.065 -4.207 850 H ILE 7 H ILE 7 -1.799 13.546 -6.598 851 HA ILE 7 HA ILE 7 -1.724 15.195 -4.271 852 HB ILE 7 HB ILE 7 -0.462 16.686 -5.551 853 1HG1 ILE 7 2HG1 ILE 7 -0.739 16.578 -8.192 854 2HG1 ILE 7 1HG1 ILE 7 -2.356 16.047 -7.759 855 1HG2 ILE 7 1HG2 ILE 7 0.908 15.392 -7.117 856 2HG2 ILE 7 2HG2 ILE 7 -0.306 14.119 -7.122 857 3HG2 ILE 7 3HG2 ILE 7 0.575 14.485 -5.646 858 1HD1 ILE 7 1HD1 ILE 7 -2.740 18.309 -7.710 859 2HD1 ILE 7 2HD1 ILE 7 -1.059 18.686 -7.332 860 3HD1 ILE 7 3HD1 ILE 7 -2.141 18.117 -6.062 861 H LYS 8 H LYS 8 -3.743 15.258 -7.163 862 HA LYS 8 HA LYS 8 -5.261 17.608 -6.460 863 1HB LYS 8 2HB LYS 8 -6.378 15.221 -7.930 864 2HB LYS 8 1HB LYS 8 -6.721 16.922 -8.206 865 1HG LYS 8 2HG LYS 8 -4.457 17.253 -9.107 866 2HG LYS 8 1HG LYS 8 -4.074 15.560 -8.800 867 1HD LYS 8 2HD LYS 8 -6.185 16.620 -10.697 868 2HD LYS 8 1HD LYS 8 -4.694 15.787 -11.135 869 1HE LYS 8 2HE LYS 8 -5.816 13.820 -11.012 870 2HE LYS 8 1HE LYS 8 -6.068 14.101 -9.281 871 1HZ LYS 8 1HZ LYS 8 -8.201 13.963 -10.331 872 2HZ LYS 8 2HZ LYS 8 -7.756 15.096 -11.516 873 3HZ LYS 8 3HZ LYS 8 -7.939 15.582 -9.898 874 H ALA 9 H ALA 9 -5.547 14.148 -5.756 875 HA ALA 9 HA ALA 9 -8.076 14.036 -4.527 876 1HB ALA 9 1HB ALA 9 -7.277 12.019 -3.651 877 2HB ALA 9 2HB ALA 9 -5.664 12.673 -3.365 878 3HB ALA 9 3HB ALA 9 -6.181 12.285 -5.005 879 H ILE 10 H ILE 10 -4.957 15.151 -3.190 880 HA ILE 10 HA ILE 10 -6.292 15.827 -0.628 881 HB ILE 10 HB ILE 10 -3.563 15.313 -1.676 882 1HG1 ILE 10 2HG1 ILE 10 -3.253 14.508 0.662 883 2HG1 ILE 10 1HG1 ILE 10 -4.871 15.094 1.047 884 1HG2 ILE 10 1HG2 ILE 10 -2.560 16.683 0.260 885 2HG2 ILE 10 2HG2 ILE 10 -4.087 17.563 0.271 886 3HG2 ILE 10 3HG2 ILE 10 -3.072 17.581 -1.169 887 1HD1 ILE 10 1HD1 ILE 10 -4.494 13.249 -1.291 888 2HD1 ILE 10 2HD1 ILE 10 -5.915 13.481 -0.274 889 3HD1 ILE 10 3HD1 ILE 10 -4.529 12.581 0.340 890 H ALA 11 H ALA 11 -4.997 17.211 -3.585 891 HA ALA 11 HA ALA 11 -4.964 19.958 -2.684 892 1HB ALA 11 1HB ALA 11 -5.568 19.063 -5.502 893 2HB ALA 11 2HB ALA 11 -3.998 18.681 -4.800 894 3HB ALA 11 3HB ALA 11 -4.503 20.359 -4.966 895 H GLN 12 H GLN 12 -7.459 17.698 -3.406 896 HA GLN 12 HA GLN 12 -9.474 19.880 -3.663 897 1HB GLN 12 2HB GLN 12 -10.817 18.257 -4.826 898 2HB GLN 12 1HB GLN 12 -9.182 18.046 -5.445 899 1HG GLN 12 2HG GLN 12 -8.852 16.200 -3.782 900 2HG GLN 12 1HG GLN 12 -10.549 16.358 -3.333 901 1HE2 GLN 12 1HE2 GLN 12 -11.968 15.064 -4.510 902 2HE2 GLN 12 2HE2 GLN 12 -11.638 14.394 -6.035 903 H ASP 13 H ASP 13 -8.719 16.837 -1.941 904 HA ASP 13 HA ASP 13 -10.982 17.013 -0.111 905 1HB ASP 13 2HB ASP 13 -8.282 15.621 -0.126 906 2HB ASP 13 1HB ASP 13 -9.408 15.448 1.219 907 H THR 14 H THR 14 -7.894 18.440 -0.491 908 HA THR 14 HA THR 14 -8.081 19.863 2.129 909 HB THR 14 HB THR 14 -5.453 19.747 0.874 910 HG1 THR 14 HG1 THR 14 -6.729 17.293 1.504 911 1HG2 THR 14 1HG2 THR 14 -6.496 18.477 3.393 912 2HG2 THR 14 2HG2 THR 14 -6.054 20.176 3.266 913 3HG2 THR 14 3HG2 THR 14 -4.830 18.927 3.035 914 H GLY 15 H GLY 15 -5.967 20.486 -0.663 915 1HA GLY 15 2HA GLY 15 -5.875 22.283 -2.171 916 2HA GLY 15 1HA GLY 15 -7.582 22.561 -1.833 917 H LEU 16 H LEU 16 -6.802 22.729 1.102 918 HA LEU 16 HA LEU 16 -6.985 25.315 1.792 919 1HB LEU 16 2HB LEU 16 -4.639 24.471 3.210 920 2HB LEU 16 1HB LEU 16 -6.290 24.596 3.800 921 HG LEU 16 HG LEU 16 -6.737 22.367 2.766 922 1HD1 LEU 16 1HD1 LEU 16 -3.709 22.352 2.506 923 2HD1 LEU 16 2HD1 LEU 16 -4.834 22.406 1.155 924 3HD1 LEU 16 3HD1 LEU 16 -4.765 20.987 2.179 925 1HD2 LEU 16 1HD2 LEU 16 -6.180 21.374 4.757 926 2HD2 LEU 16 2HD2 LEU 16 -5.672 22.999 5.210 927 3HD2 LEU 16 3HD2 LEU 16 -4.488 21.840 4.617 928 H THR 17 H THR 17 -3.790 23.995 1.111 929 HA THR 17 HA THR 17 -2.954 26.624 -0.018 930 HB THR 17 HB THR 17 -2.273 25.594 2.448 931 HG1 THR 17 HG1 THR 17 -1.858 27.695 1.722 932 1HG2 THR 17 1HG2 THR 17 -0.184 24.742 0.439 933 2HG2 THR 17 2HG2 THR 17 -1.032 23.741 1.617 934 3HG2 THR 17 3HG2 THR 17 0.146 24.933 2.155 935 H GLN 18 H GLN 18 -3.379 23.326 -0.512 936 HA GLN 18 HA GLN 18 -2.527 21.818 -2.112 937 1HB GLN 18 2HB GLN 18 -1.374 24.293 -3.430 938 2HB GLN 18 1HB GLN 18 -1.967 22.827 -4.213 939 1HG GLN 18 2HG GLN 18 -4.223 23.530 -2.965 940 2HG GLN 18 1HG GLN 18 -3.495 25.132 -3.095 941 1HE2 GLN 18 1HE2 GLN 18 -3.232 26.050 -5.237 942 2HE2 GLN 18 2HE2 GLN 18 -3.935 25.344 -6.611 943 H VAL 19 H VAL 19 -1.072 22.702 0.235 944 HA VAL 19 HA VAL 19 1.382 23.315 0.640 945 HB VAL 19 HB VAL 19 0.401 21.741 2.138 946 1HG1 VAL 19 1HG1 VAL 19 -0.065 20.205 -0.291 947 2HG1 VAL 19 2HG1 VAL 19 -0.903 20.129 1.257 948 3HG1 VAL 19 3HG1 VAL 19 0.569 19.192 1.007 949 1HG2 VAL 19 1HG2 VAL 19 2.273 19.686 1.695 950 2HG2 VAL 19 2HG2 VAL 19 2.461 21.078 2.760 951 3HG2 VAL 19 3HG2 VAL 19 3.035 21.156 1.100 952 H SER 20 H SER 20 1.860 20.100 -0.461 953 HA SER 20 HA SER 20 3.348 21.008 -2.836 954 1HB SER 20 2HB SER 20 4.237 19.668 -0.376 955 2HB SER 20 1HB SER 20 4.769 18.877 -1.842 956 HG SER 20 HG SER 20 6.262 20.452 -1.281 957 H VAL 21 H VAL 21 0.656 19.653 -2.090 958 HA VAL 21 HA VAL 21 0.122 17.114 -2.355 959 HB VAL 21 HB VAL 21 -1.439 17.641 -4.226 960 1HG1 VAL 21 1HG1 VAL 21 -1.508 20.128 -2.624 961 2HG1 VAL 21 2HG1 VAL 21 -1.468 18.627 -1.701 962 3HG1 VAL 21 3HG1 VAL 21 -2.760 18.911 -2.866 963 1HG2 VAL 21 1HG2 VAL 21 0.229 20.163 -4.357 964 2HG2 VAL 21 2HG2 VAL 21 -1.364 20.016 -5.099 965 3HG2 VAL 21 3HG2 VAL 21 -0.037 18.992 -5.648 966 H SER 22 H SER 22 1.862 18.898 -4.771 967 HA SER 22 HA SER 22 2.387 16.567 -6.512 968 1HB SER 22 2HB SER 22 2.209 18.775 -7.486 969 2HB SER 22 1HB SER 22 3.397 19.425 -6.360 970 HG SER 22 HG SER 22 3.809 17.508 -8.416 971 H LYS 23 H LYS 23 4.237 18.586 -4.214 972 HA LYS 23 HA LYS 23 6.552 16.756 -4.352 973 1HB LYS 23 2HB LYS 23 5.883 19.434 -3.211 974 2HB LYS 23 1HB LYS 23 7.242 18.556 -2.516 975 1HG LYS 23 2HG LYS 23 8.354 18.449 -4.647 976 2HG LYS 23 1HG LYS 23 6.924 19.054 -5.486 977 1HD LYS 23 2HD LYS 23 8.615 20.588 -3.486 978 2HD LYS 23 1HD LYS 23 8.538 20.873 -5.224 979 1HE LYS 23 2HE LYS 23 5.861 20.974 -4.450 980 2HE LYS 23 1HE LYS 23 6.713 21.790 -3.124 981 1HZ LYS 23 1HZ LYS 23 7.883 23.149 -4.703 982 2HZ LYS 23 2HZ LYS 23 6.217 23.291 -5.005 983 3HZ LYS 23 3HZ LYS 23 7.186 22.324 -6.010 984 H MET 24 H MET 24 3.720 17.323 -2.341 985 HA MET 24 HA MET 24 4.691 16.165 0.071 986 1HB MET 24 2HB MET 24 2.800 17.730 -0.250 987 2HB MET 24 1HB MET 24 1.962 16.525 -1.209 988 1HG MET 24 2HG MET 24 2.880 15.917 1.559 989 2HG MET 24 1HG MET 24 1.375 16.782 1.292 990 1HE MET 24 1HE MET 24 0.136 15.939 -1.037 991 2HE MET 24 2HE MET 24 -0.140 14.241 -1.412 992 3HE MET 24 3HE MET 24 1.402 14.983 -1.812 993 H LEU 25 H LEU 25 3.063 14.966 -2.885 994 HA LEU 25 HA LEU 25 2.932 12.212 -1.914 995 1HB LEU 25 2HB LEU 25 2.540 13.675 -4.514 996 2HB LEU 25 1HB LEU 25 2.674 11.918 -4.532 997 HG LEU 25 HG LEU 25 0.586 13.615 -3.157 998 1HD1 LEU 25 1HD1 LEU 25 -0.894 12.629 -4.627 999 2HD1 LEU 25 2HD1 LEU 25 0.050 11.146 -4.749 1000 3HD1 LEU 25 3HD1 LEU 25 0.561 12.590 -5.623 1001 1HD2 LEU 25 1HD2 LEU 25 -0.227 11.205 -2.431 1002 2HD2 LEU 25 2HD2 LEU 25 0.953 12.069 -1.443 1003 3HD2 LEU 25 3HD2 LEU 25 1.487 10.810 -2.558 1004 H ALA 26 H ALA 26 5.059 14.171 -3.982 1005 HA ALA 26 HA ALA 26 6.932 12.153 -4.740 1006 1HB ALA 26 1HB ALA 26 7.763 14.951 -4.023 1007 2HB ALA 26 2HB ALA 26 6.600 14.727 -5.329 1008 3HB ALA 26 3HB ALA 26 8.200 13.994 -5.438 1009 H SER 27 H SER 27 6.499 14.087 -1.832 1010 HA SER 27 HA SER 27 8.932 13.126 -0.510 1011 1HB SER 27 2HB SER 27 6.507 14.778 0.199 1012 2HB SER 27 1HB SER 27 7.633 14.268 1.454 1013 HG SER 27 HG SER 27 8.260 16.270 0.632 1014 H PHE 28 H PHE 28 5.493 12.361 -0.618 1015 HA PHE 28 HA PHE 28 5.338 10.543 1.594 1016 1HB PHE 28 2HB PHE 28 3.314 11.297 0.630 1017 2HB PHE 28 1HB PHE 28 3.890 11.020 -1.005 1018 HD1 PHE 28 HD1 PHE 28 4.008 8.673 -1.925 1019 HD2 PHE 28 HD2 PHE 28 2.253 9.547 1.900 1020 HE1 PHE 28 HE1 PHE 28 2.842 6.508 -1.956 1021 HE2 PHE 28 HE2 PHE 28 1.090 7.378 1.860 1022 HZ PHE 28 HZ PHE 28 1.384 5.842 -0.064 1023 H GLU 29 H GLU 29 5.742 9.837 -1.909 1024 HA GLU 29 HA GLU 29 6.405 7.092 -1.540 1025 1HB GLU 29 2HB GLU 29 5.891 8.110 -3.722 1026 2HB GLU 29 1HB GLU 29 7.341 9.115 -3.600 1027 1HG GLU 29 2HG GLU 29 8.318 6.582 -3.104 1028 2HG GLU 29 1HG GLU 29 7.094 6.301 -4.328 1029 H LYS 30 H LYS 30 8.223 10.086 -1.269 1030 HA LYS 30 HA LYS 30 10.836 8.897 -1.112 1031 1HB LYS 30 2HB LYS 30 10.284 11.314 -1.570 1032 2HB LYS 30 1HB LYS 30 9.817 11.475 0.123 1033 1HG LYS 30 2HG LYS 30 12.071 10.748 0.817 1034 2HG LYS 30 1HG LYS 30 12.544 10.615 -0.877 1035 1HD LYS 30 2HD LYS 30 11.523 13.179 0.375 1036 2HD LYS 30 1HD LYS 30 13.234 12.783 0.227 1037 1HE LYS 30 2HE LYS 30 11.341 12.839 -2.148 1038 2HE LYS 30 1HE LYS 30 12.349 14.217 -1.666 1039 1HZ LYS 30 1HZ LYS 30 14.252 12.571 -1.646 1040 2HZ LYS 30 2HZ LYS 30 13.655 13.006 -3.176 1041 3HZ LYS 30 3HZ LYS 30 13.231 11.511 -2.489 1042 H ILE 31 H ILE 31 8.187 9.314 1.179 1043 HA ILE 31 HA ILE 31 10.017 8.414 3.336 1044 HB ILE 31 HB ILE 31 7.771 8.780 4.659 1045 1HG1 ILE 31 2HG1 ILE 31 7.251 11.138 3.123 1046 2HG1 ILE 31 1HG1 ILE 31 7.011 9.706 2.133 1047 1HG2 ILE 31 1HG2 ILE 31 9.507 10.048 5.433 1048 2HG2 ILE 31 2HG2 ILE 31 8.620 11.335 4.617 1049 3HG2 ILE 31 3HG2 ILE 31 9.983 10.557 3.813 1050 1HD1 ILE 31 1HD1 ILE 31 5.998 9.405 4.856 1051 2HD1 ILE 31 2HD1 ILE 31 5.229 9.018 3.319 1052 3HD1 ILE 31 3HD1 ILE 31 5.188 10.667 3.933 1053 H ILE 32 H ILE 32 7.291 7.387 1.425 1054 HA ILE 32 HA ILE 32 6.692 4.992 2.941 1055 HB ILE 32 HB ILE 32 6.278 5.856 0.067 1056 1HG1 ILE 32 2HG1 ILE 32 3.859 5.509 0.758 1057 2HG1 ILE 32 1HG1 ILE 32 4.413 5.123 2.383 1058 1HG2 ILE 32 1HG2 ILE 32 6.420 3.626 -0.413 1059 2HG2 ILE 32 2HG2 ILE 32 4.796 3.583 0.275 1060 3HG2 ILE 32 3HG2 ILE 32 6.182 3.135 1.263 1061 1HD1 ILE 32 1HD1 ILE 32 5.547 7.409 2.372 1062 2HD1 ILE 32 2HD1 ILE 32 3.787 7.406 2.450 1063 3HD1 ILE 32 3HD1 ILE 32 4.602 7.743 0.929 1064 H THR 33 H THR 33 8.190 5.342 -0.212 1065 HA THR 33 HA THR 33 9.415 2.824 -0.223 1066 HB THR 33 HB THR 33 9.113 5.091 -1.863 1067 HG1 THR 33 HG1 THR 33 9.834 3.570 -3.452 1068 1HG2 THR 33 1HG2 THR 33 11.975 4.173 -1.808 1069 2HG2 THR 33 2HG2 THR 33 11.408 5.723 -1.187 1070 3HG2 THR 33 3HG2 THR 33 11.268 5.355 -2.907 1071 H GLU 34 H GLU 34 10.580 5.998 0.895 1072 HA GLU 34 HA GLU 34 13.275 5.080 1.428 1073 1HB GLU 34 2HB GLU 34 11.546 7.419 2.192 1074 2HB GLU 34 1HB GLU 34 13.198 7.274 2.784 1075 1HG GLU 34 2HG GLU 34 12.420 7.175 -0.157 1076 2HG GLU 34 1HG GLU 34 13.065 8.605 0.652 1077 H THR 35 H THR 35 10.305 5.406 3.509 1078 HA THR 35 HA THR 35 11.665 4.777 5.966 1079 HB THR 35 HB THR 35 8.817 4.279 5.061 1080 HG1 THR 35 HG1 THR 35 10.047 6.241 6.703 1081 1HG2 THR 35 1HG2 THR 35 8.282 3.590 7.232 1082 2HG2 THR 35 2HG2 THR 35 9.705 4.359 7.931 1083 3HG2 THR 35 3HG2 THR 35 9.870 2.856 7.028 1084 H VAL 36 H VAL 36 9.925 2.646 3.673 1085 HA VAL 36 HA VAL 36 10.371 0.200 4.986 1086 HB VAL 36 HB VAL 36 9.607 1.169 2.398 1087 1HG1 VAL 36 1HG1 VAL 36 11.658 -1.059 2.296 1088 2HG1 VAL 36 2HG1 VAL 36 11.778 0.522 1.525 1089 3HG1 VAL 36 3HG1 VAL 36 10.577 -0.640 0.968 1090 1HG2 VAL 36 1HG2 VAL 36 9.523 -1.695 3.348 1091 2HG2 VAL 36 2HG2 VAL 36 8.365 -0.859 2.312 1092 3HG2 VAL 36 3HG2 VAL 36 8.472 -0.451 4.025 1093 H ALA 37 H ALA 37 12.482 2.026 2.810 1094 HA ALA 37 HA ALA 37 14.713 0.151 3.239 1095 1HB ALA 37 1HB ALA 37 14.228 1.148 1.055 1096 2HB ALA 37 2HB ALA 37 15.808 1.656 1.647 1097 3HB ALA 37 3HB ALA 37 14.440 2.760 1.737 1098 H LYS 38 H LYS 38 13.364 2.701 4.915 1099 HA LYS 38 HA LYS 38 15.936 3.793 5.927 1100 1HB LYS 38 2HB LYS 38 13.508 4.946 5.540 1101 2HB LYS 38 1HB LYS 38 13.312 4.415 7.207 1102 1HG LYS 38 2HG LYS 38 14.418 6.292 7.799 1103 2HG LYS 38 1HG LYS 38 15.870 5.519 7.160 1104 1HD LYS 38 2HD LYS 38 13.956 7.257 5.570 1105 2HD LYS 38 1HD LYS 38 15.543 7.752 6.156 1106 1HE LYS 38 2HE LYS 38 16.325 5.557 4.850 1107 2HE LYS 38 1HE LYS 38 14.854 5.891 3.916 1108 1HZ LYS 38 1HZ LYS 38 17.115 7.738 4.445 1109 2HZ LYS 38 2HZ LYS 38 15.622 8.256 3.822 1110 3HZ LYS 38 3HZ LYS 38 16.582 7.167 2.940 1111 H GLY 39 H GLY 39 13.421 1.537 6.577 1112 1HA GLY 39 2HA GLY 39 14.103 -0.389 7.922 1113 2HA GLY 39 1HA GLY 39 14.843 0.750 9.043 1114 H ASP 40 H ASP 40 11.614 1.010 7.519 1115 HA ASP 40 HA ASP 40 10.393 0.419 10.181 1116 1HB ASP 40 2HB ASP 40 10.777 3.033 8.944 1117 2HB ASP 40 1HB ASP 40 9.078 2.718 9.299 1118 H LYS 41 H LYS 41 8.026 0.152 10.024 1119 HA LYS 41 HA LYS 41 7.206 -0.835 7.326 1120 1HB LYS 41 2HB LYS 41 6.529 -1.500 10.190 1121 2HB LYS 41 1HB LYS 41 5.463 -2.006 8.880 1122 1HG LYS 41 2HG LYS 41 6.839 -3.844 8.903 1123 2HG LYS 41 1HG LYS 41 7.809 -2.818 7.846 1124 1HD LYS 41 2HD LYS 41 9.354 -3.549 9.472 1125 2HD LYS 41 1HD LYS 41 8.889 -1.943 10.037 1126 1HE LYS 41 2HE LYS 41 7.313 -2.900 11.631 1127 2HE LYS 41 1HE LYS 41 7.617 -4.531 11.000 1128 1HZ LYS 41 1HZ LYS 41 9.002 -4.125 12.929 1129 2HZ LYS 41 2HZ LYS 41 9.636 -2.718 12.217 1130 3HZ LYS 41 3HZ LYS 41 9.972 -4.240 11.541 1131 H VAL 42 H VAL 42 6.340 1.085 6.439 1132 HA VAL 42 HA VAL 42 4.714 2.998 7.798 1133 HB VAL 42 HB VAL 42 4.770 2.098 4.896 1134 1HG1 VAL 42 1HG1 VAL 42 3.440 4.374 6.321 1135 2HG1 VAL 42 2HG1 VAL 42 2.861 3.419 4.956 1136 3HG1 VAL 42 3HG1 VAL 42 4.091 4.657 4.706 1137 1HG2 VAL 42 1HG2 VAL 42 6.947 2.870 5.933 1138 2HG2 VAL 42 2HG2 VAL 42 6.176 4.426 6.238 1139 3HG2 VAL 42 3HG2 VAL 42 6.395 3.860 4.582 1140 H GLN 43 H GLN 43 2.733 2.637 8.723 1141 HA GLN 43 HA GLN 43 1.036 0.422 7.663 1142 1HB GLN 43 2HB GLN 43 1.406 -0.027 9.900 1143 2HB GLN 43 1HB GLN 43 1.664 1.670 10.297 1144 1HG GLN 43 2HG GLN 43 -0.589 2.100 10.551 1145 2HG GLN 43 1HG GLN 43 -1.069 0.797 9.464 1146 1HE2 GLN 43 1HE2 GLN 43 -0.164 -1.495 10.422 1147 2HE2 GLN 43 2HE2 GLN 43 -0.535 -1.740 12.060 1148 H LEU 44 H LEU 44 -0.296 1.447 6.104 1149 HA LEU 44 HA LEU 44 -1.349 4.132 6.507 1150 1HB LEU 44 2HB LEU 44 -1.564 1.878 4.565 1151 2HB LEU 44 1HB LEU 44 -2.832 3.100 4.529 1152 HG LEU 44 HG LEU 44 0.135 3.692 4.388 1153 1HD1 LEU 44 1HD1 LEU 44 -0.661 4.438 1.996 1154 2HD1 LEU 44 2HD1 LEU 44 -1.985 3.312 2.283 1155 3HD1 LEU 44 3HD1 LEU 44 -0.319 2.736 2.295 1156 1HD2 LEU 44 1HD2 LEU 44 -0.947 5.917 3.520 1157 2HD2 LEU 44 2HD2 LEU 44 -0.886 5.612 5.255 1158 3HD2 LEU 44 3HD2 LEU 44 -2.383 5.336 4.364 1159 H THR 45 H THR 45 -2.626 4.217 8.373 1160 HA THR 45 HA THR 45 -4.317 3.589 9.919 1161 HB THR 45 HB THR 45 -5.614 5.003 8.627 1162 HG1 THR 45 HG1 THR 45 -7.073 3.585 9.444 1163 1HG2 THR 45 1HG2 THR 45 -5.346 3.042 6.332 1164 2HG2 THR 45 2HG2 THR 45 -4.500 4.576 6.483 1165 3HG2 THR 45 3HG2 THR 45 -6.248 4.551 6.271 1166 H GLY 46 H GLY 46 -6.000 1.766 7.424 1167 1HA GLY 46 2HA GLY 46 -5.060 -0.793 8.563 1168 2HA GLY 46 1HA GLY 46 -6.775 -0.425 8.737 1169 H PHE 47 H PHE 47 -4.971 0.593 5.877 1170 HA PHE 47 HA PHE 47 -6.316 -1.593 4.363 1171 1HB PHE 47 2HB PHE 47 -7.286 -0.096 2.884 1172 2HB PHE 47 1HB PHE 47 -7.365 0.793 4.396 1173 HD1 PHE 47 HD1 PHE 47 -5.722 0.563 1.115 1174 HD2 PHE 47 HD2 PHE 47 -5.909 2.649 4.835 1175 HE1 PHE 47 HE1 PHE 47 -4.413 2.400 0.143 1176 HE2 PHE 47 HE2 PHE 47 -4.598 4.507 3.875 1177 HZ PHE 47 HZ PHE 47 -3.837 4.376 1.528 1178 H LEU 48 H LEU 48 -3.435 0.388 4.711 1179 HA LEU 48 HA LEU 48 -2.247 -1.326 2.583 1180 1HB LEU 48 2HB LEU 48 -2.327 1.590 2.896 1181 2HB LEU 48 1HB LEU 48 -0.760 0.930 2.428 1182 HG LEU 48 HG LEU 48 -3.408 0.561 1.012 1183 1HD1 LEU 48 1HD1 LEU 48 -2.080 1.546 -0.882 1184 2HD1 LEU 48 2HD1 LEU 48 -0.795 1.874 0.281 1185 3HD1 LEU 48 3HD1 LEU 48 -2.370 2.646 0.465 1186 1HD2 LEU 48 1HD2 LEU 48 -1.086 -1.178 1.080 1187 2HD2 LEU 48 2HD2 LEU 48 -1.344 -0.542 -0.544 1188 3HD2 LEU 48 3HD2 LEU 48 -2.635 -1.421 0.272 1189 H ASN 49 H ASN 49 -1.062 -2.747 3.749 1190 HA ASN 49 HA ASN 49 0.544 -1.788 6.075 1191 1HB ASN 49 2HB ASN 49 -0.895 -4.181 5.251 1192 2HB ASN 49 1HB ASN 49 0.754 -4.574 5.736 1193 1HD2 ASN 49 1HD2 ASN 49 -1.681 -2.188 6.948 1194 2HD2 ASN 49 2HD2 ASN 49 -1.551 -2.665 8.572 1195 H ILE 50 H ILE 50 2.235 -0.763 4.741 1196 HA ILE 50 HA ILE 50 3.767 -2.425 2.853 1197 HB ILE 50 HB ILE 50 4.517 0.272 3.999 1198 1HG1 ILE 50 2HG1 ILE 50 2.157 0.462 3.364 1199 2HG1 ILE 50 1HG1 ILE 50 3.157 1.306 2.186 1200 1HG2 ILE 50 1HG2 ILE 50 4.774 -0.409 1.122 1201 2HG2 ILE 50 2HG2 ILE 50 5.824 -1.291 2.231 1202 3HG2 ILE 50 3HG2 ILE 50 5.880 0.471 2.177 1203 1HD1 ILE 50 1HD1 ILE 50 1.290 -0.236 1.282 1204 2HD1 ILE 50 2HD1 ILE 50 2.343 -1.566 1.759 1205 3HD1 ILE 50 3HD1 ILE 50 2.893 -0.389 0.567 1206 H LYS 51 H LYS 51 5.536 -3.707 3.474 1207 HA LYS 51 HA LYS 51 7.095 -2.862 5.869 1208 1HB LYS 51 2HB LYS 51 6.770 -5.215 6.818 1209 2HB LYS 51 1HB LYS 51 5.357 -4.163 6.880 1210 1HG LYS 51 2HG LYS 51 4.372 -5.232 4.967 1211 2HG LYS 51 1HG LYS 51 5.857 -6.116 4.621 1212 1HD LYS 51 2HD LYS 51 4.343 -6.443 7.218 1213 2HD LYS 51 1HD LYS 51 4.029 -7.448 5.803 1214 1HE LYS 51 2HE LYS 51 5.802 -8.753 6.329 1215 2HE LYS 51 1HE LYS 51 6.876 -7.342 6.248 1216 1HZ LYS 51 1HZ LYS 51 6.316 -6.749 8.471 1217 2HZ LYS 51 2HZ LYS 51 6.753 -8.391 8.490 1218 3HZ LYS 51 3HZ LYS 51 5.116 -7.944 8.563 1219 HA PRO 52 HA PRO 52 10.052 -4.728 3.071 1220 1HB PRO 52 2HB PRO 52 12.282 -3.716 4.230 1221 2HB PRO 52 1HB PRO 52 11.213 -2.735 3.208 1222 1HG PRO 52 2HG PRO 52 11.520 -2.757 6.135 1223 2HG PRO 52 1HG PRO 52 11.039 -1.449 5.057 1224 1HD PRO 52 2HD PRO 52 9.336 -3.011 6.655 1225 2HD PRO 52 1HD PRO 52 8.844 -1.890 5.368 1226 H VAL 53 H VAL 53 11.224 -6.582 3.165 1227 HA VAL 53 HA VAL 53 12.204 -7.558 5.779 1228 HB VAL 53 HB VAL 53 11.096 -9.719 5.405 1229 1HG1 VAL 53 1HG1 VAL 53 8.898 -8.993 6.030 1230 2HG1 VAL 53 2HG1 VAL 53 9.059 -7.494 5.115 1231 3HG1 VAL 53 3HG1 VAL 53 9.986 -7.727 6.598 1232 1HG2 VAL 53 1HG2 VAL 53 10.884 -9.895 3.050 1233 2HG2 VAL 53 2HG2 VAL 53 10.166 -8.292 2.918 1234 3HG2 VAL 53 3HG2 VAL 53 9.228 -9.620 3.590 1235 H ALA 54 H ALA 54 14.296 -7.858 5.391 1236 HA ALA 54 HA ALA 54 15.606 -8.155 2.920 1237 1HB ALA 54 1HB ALA 54 16.255 -7.978 5.599 1238 2HB ALA 54 2HB ALA 54 17.417 -8.167 4.286 1239 3HB ALA 54 3HB ALA 54 16.843 -9.583 5.166 1240 H ARG 55 H ARG 55 15.387 -9.829 1.396 1241 HA ARG 55 HA ARG 55 15.840 -12.583 2.234 1242 1HB ARG 55 2HB ARG 55 13.393 -11.761 2.964 1243 2HB ARG 55 1HB ARG 55 13.028 -12.197 1.294 1244 1HG ARG 55 2HG ARG 55 14.350 -14.395 1.880 1245 2HG ARG 55 1HG ARG 55 13.970 -13.949 3.543 1246 1HD ARG 55 2HD ARG 55 11.627 -13.664 1.832 1247 2HD ARG 55 1HD ARG 55 12.269 -15.317 1.787 1248 HE ARG 55 HE ARG 55 11.496 -13.869 4.287 1249 1HH1 ARG 55 1HH1 ARG 55 10.700 -16.547 2.576 1250 2HH1 ARG 55 2HH1 ARG 55 11.013 -17.703 3.826 1251 1HH2 ARG 55 1HH2 ARG 55 12.615 -15.428 5.896 1252 2HH2 ARG 55 2HH2 ARG 55 12.098 -17.070 5.706 1253 H GLN 56 H GLN 56 16.802 -10.841 0.152 1254 HA GLN 56 HA GLN 56 15.935 -12.440 -2.212 1255 1HB GLN 56 2HB GLN 56 16.223 -9.419 -2.078 1256 2HB GLN 56 1HB GLN 56 15.728 -10.357 -3.473 1257 1HG GLN 56 2HG GLN 56 13.953 -11.289 -1.648 1258 2HG GLN 56 1HG GLN 56 14.176 -9.644 -1.058 1259 1HE2 GLN 56 1HE2 GLN 56 13.536 -7.875 -2.485 1260 2HE2 GLN 56 2HE2 GLN 56 12.539 -8.148 -3.831 1261 H ALA 57 H ALA 57 17.507 -10.945 -4.061 1262 HA ALA 57 HA ALA 57 20.085 -12.182 -3.728 1263 1HB ALA 57 1HB ALA 57 18.727 -11.511 -5.824 1264 2HB ALA 57 2HB ALA 57 20.474 -11.284 -5.875 1265 3HB ALA 57 3HB ALA 57 19.417 -9.905 -5.581 1266 H ARG 58 H ARG 58 22.050 -10.676 -4.277 1267 HA ARG 58 HA ARG 58 22.606 -9.063 -1.945 1268 1HB ARG 58 2HB ARG 58 23.889 -9.985 -4.454 1269 2HB ARG 58 1HB ARG 58 24.591 -8.546 -3.718 1270 1HG ARG 58 2HG ARG 58 25.772 -10.282 -2.658 1271 2HG ARG 58 1HG ARG 58 24.488 -9.934 -1.499 1272 1HD ARG 58 2HD ARG 58 23.166 -11.811 -2.306 1273 2HD ARG 58 1HD ARG 58 24.326 -12.108 -3.616 1274 HE ARG 58 HE ARG 58 25.907 -12.155 -1.352 1275 1HH1 ARG 58 1HH2 ARG 58 25.480 -14.645 -2.895 1276 2HH1 ARG 58 2HH2 ARG 58 24.698 -15.678 -1.746 1277 1HH2 ARG 58 1HH1 ARG 58 23.827 -13.088 0.389 1278 2HH2 ARG 58 2HH1 ARG 58 23.762 -14.797 0.113 1279 H LYS 59 H LYS 59 24.003 -6.971 -2.738 1280 HA LYS 59 HA LYS 59 22.346 -5.284 -4.545 1281 1HB LYS 59 2HB LYS 59 22.007 -5.225 -1.857 1282 2HB LYS 59 1HB LYS 59 23.350 -4.089 -2.007 1283 1HG LYS 59 2HG LYS 59 21.266 -2.850 -2.168 1284 2HG LYS 59 1HG LYS 59 22.046 -2.853 -3.750 1285 1HD LYS 59 2HD LYS 59 20.445 -5.191 -3.647 1286 2HD LYS 59 1HD LYS 59 19.449 -3.877 -3.020 1287 1HE LYS 59 2HE LYS 59 20.673 -2.687 -5.197 1288 2HE LYS 59 1HE LYS 59 20.389 -4.344 -5.765 1289 1HZ LYS 59 1HZ LYS 59 18.444 -2.824 -6.034 1290 2HZ LYS 59 2HZ LYS 59 18.350 -2.723 -4.340 1291 3HZ LYS 59 3HZ LYS 59 18.119 -4.215 -5.120 1292 H GLY 60 H GLY 60 25.112 -6.641 -4.529 1293 1HA GLY 60 2HA GLY 60 26.584 -4.699 -5.888 1294 2HA GLY 60 1HA GLY 60 27.055 -4.538 -4.212 1295 H PHE 61 H PHE 61 26.845 -7.056 -6.827 1296 HA PHE 61 HA PHE 61 29.473 -7.950 -5.902 1297 1HB PHE 61 2HB PHE 61 28.860 -10.031 -5.080 1298 2HB PHE 61 1HB PHE 61 27.463 -9.060 -4.620 1299 HD1 PHE 61 HD1 PHE 61 28.764 -11.365 -7.252 1300 HD2 PHE 61 HD2 PHE 61 25.325 -9.506 -5.508 1301 HE1 PHE 61 HE1 PHE 61 27.301 -12.838 -8.553 1302 HE2 PHE 61 HE2 PHE 61 23.860 -10.993 -6.806 1303 HZ PHE 61 HZ PHE 61 24.833 -12.669 -8.333 1304 H ASN 62 H ASN 62 30.705 -8.990 -7.439 1305 HA ASN 62 HA ASN 62 29.493 -9.317 -10.155 1306 1HB ASN 62 2HB ASN 62 30.931 -7.653 -10.621 1307 2HB ASN 62 1HB ASN 62 31.793 -7.869 -9.102 1308 1HD2 ASN 62 1HD2 ASN 62 31.405 -9.649 -12.229 1309 2HD2 ASN 62 2HD2 ASN 62 33.046 -10.063 -12.360 1310 HA PRO 63 HA PRO 63 33.143 -12.518 -9.944 1311 1HB PRO 63 2HB PRO 63 33.875 -13.321 -7.412 1312 2HB PRO 63 1HB PRO 63 34.699 -12.045 -8.333 1313 1HG PRO 63 2HG PRO 63 32.590 -11.791 -6.230 1314 2HG PRO 63 1HG PRO 63 34.094 -10.871 -6.431 1315 1HD PRO 63 2HD PRO 63 31.767 -9.847 -7.201 1316 2HD PRO 63 1HD PRO 63 33.227 -9.584 -8.176 1317 H GLN 64 H GLN 64 30.252 -12.440 -8.146 1318 HA GLN 64 HA GLN 64 30.072 -15.396 -8.004 1319 1HB GLN 64 2HB GLN 64 29.075 -13.138 -6.552 1320 2HB GLN 64 1HB GLN 64 27.702 -14.052 -7.174 1321 1HG GLN 64 2HG GLN 64 28.329 -16.016 -6.044 1322 2HG GLN 64 1HG GLN 64 29.990 -15.466 -5.827 1323 1HE2 GLN 64 1HE2 GLN 64 29.667 -15.894 -3.456 1324 2HE2 GLN 64 2HE2 GLN 64 28.841 -14.752 -2.510 1325 H THR 65 H THR 65 30.258 -14.123 -10.560 1326 HA THR 65 HA THR 65 29.312 -14.349 -12.691 1327 HB THR 65 HB THR 65 27.709 -16.028 -12.978 1328 HG1 THR 65 HG1 THR 65 26.231 -16.529 -11.218 1329 1HG2 THR 65 1HG2 THR 65 29.740 -16.560 -11.294 1330 2HG2 THR 65 2HG2 THR 65 28.554 -17.776 -11.766 1331 3HG2 THR 65 3HG2 THR 65 28.385 -16.931 -10.228 1332 H GLN 66 H GLN 66 28.862 -11.902 -11.270 1333 HA GLN 66 HA GLN 66 26.438 -11.002 -12.656 1334 1HB GLN 66 2HB GLN 66 26.546 -11.704 -9.879 1335 2HB GLN 66 1HB GLN 66 26.107 -10.017 -10.050 1336 1HG GLN 66 2HG GLN 66 24.007 -10.814 -10.406 1337 2HG GLN 66 1HG GLN 66 24.596 -11.164 -12.023 1338 1HE2 GLN 66 1HE2 GLN 66 26.300 -13.281 -10.023 1339 2HE2 GLN 66 2HE2 GLN 66 25.254 -14.608 -10.102 1340 H GLU 67 H GLU 67 26.461 -8.591 -10.793 1341 HA GLU 67 HA GLU 67 28.975 -7.294 -11.745 1342 1HB GLU 67 2HB GLU 67 26.124 -6.732 -12.235 1343 2HB GLU 67 1HB GLU 67 27.036 -5.321 -11.698 1344 1HG GLU 67 2HG GLU 67 28.708 -5.728 -13.471 1345 2HG GLU 67 1HG GLU 67 27.785 -7.129 -14.016 1346 H ALA 68 H ALA 68 30.067 -6.725 -9.951 1347 HA ALA 68 HA ALA 68 29.007 -6.611 -7.313 1348 1HB ALA 68 1HB ALA 68 31.258 -7.050 -7.371 1349 2HB ALA 68 2HB ALA 68 31.310 -5.313 -7.072 1350 3HB ALA 68 3HB ALA 68 31.537 -5.934 -8.708 1351 H LEU 69 H LEU 69 27.169 -5.230 -7.538 1352 HA LEU 69 HA LEU 69 27.623 -2.546 -6.673 1353 1HB LEU 69 2HB LEU 69 26.982 -1.455 -8.955 1354 2HB LEU 69 1HB LEU 69 28.637 -2.002 -8.712 1355 HG LEU 69 HG LEU 69 27.064 -4.212 -9.686 1356 1HD1 LEU 69 1HD1 LEU 69 25.522 -2.956 -10.842 1357 2HD1 LEU 69 2HD1 LEU 69 26.818 -3.003 -12.037 1358 3HD1 LEU 69 3HD1 LEU 69 26.612 -1.581 -11.016 1359 1HD2 LEU 69 1HD2 LEU 69 28.768 -3.451 -11.724 1360 2HD2 LEU 69 2HD2 LEU 69 29.214 -4.481 -10.367 1361 3HD2 LEU 69 3HD2 LEU 69 29.544 -2.753 -10.302 1362 H GLU 70 H GLU 70 25.299 -4.917 -7.014 1363 HA GLU 70 HA GLU 70 23.093 -3.891 -5.989 1364 1HB GLU 70 2HB GLU 70 23.658 -2.225 -8.379 1365 2HB GLU 70 1HB GLU 70 21.984 -2.715 -8.193 1366 1HG GLU 70 2HG GLU 70 22.508 -2.003 -5.639 1367 2HG GLU 70 1HG GLU 70 23.600 -0.906 -6.482 1368 H ILE 71 H ILE 71 23.816 -6.462 -7.023 1369 HA ILE 71 HA ILE 71 22.449 -7.336 -9.305 1370 HB ILE 71 HB ILE 71 24.060 -8.457 -7.720 1371 1HG1 ILE 71 2HG1 ILE 71 22.343 -9.444 -9.536 1372 2HG1 ILE 71 1HG1 ILE 71 23.556 -10.400 -8.702 1373 1HG2 ILE 71 1HG2 ILE 71 21.569 -8.557 -6.078 1374 2HG2 ILE 71 2HG2 ILE 71 23.237 -8.286 -5.581 1375 3HG2 ILE 71 3HG2 ILE 71 22.695 -9.907 -5.991 1376 1HD1 ILE 71 1HD1 ILE 71 22.006 -11.389 -7.281 1377 2HD1 ILE 71 2HD1 ILE 71 21.038 -11.197 -8.741 1378 3HD1 ILE 71 3HD1 ILE 71 20.873 -10.046 -7.417 1379 H ALA 72 H ALA 72 20.591 -8.848 -9.099 1380 HA ALA 72 HA ALA 72 18.133 -8.040 -9.194 1381 1HB ALA 72 1HB ALA 72 19.263 -10.331 -8.870 1382 2HB ALA 72 2HB ALA 72 17.544 -10.182 -8.533 1383 3HB ALA 72 3HB ALA 72 18.710 -10.180 -7.216 1384 HA PRO 73 HA PRO 73 16.231 -6.697 -5.425 1385 1HB PRO 73 2HB PRO 73 15.239 -8.615 -3.793 1386 2HB PRO 73 1HB PRO 73 14.456 -8.039 -5.265 1387 1HG PRO 73 2HG PRO 73 15.929 -10.542 -4.785 1388 2HG PRO 73 1HG PRO 73 14.637 -10.194 -5.931 1389 1HD PRO 73 2HD PRO 73 17.330 -10.410 -6.512 1390 2HD PRO 73 1HD PRO 73 16.100 -9.682 -7.561 1391 H SER 74 H SER 74 16.033 -7.567 -2.730 1392 HA SER 74 HA SER 74 18.223 -8.209 -1.245 1393 1HB SER 74 2HB SER 74 18.586 -5.709 -2.820 1394 2HB SER 74 1HB SER 74 19.026 -5.584 -1.124 1395 HG SER 74 HG SER 74 19.908 -7.636 -2.872 1396 H VAL 75 H VAL 75 15.675 -8.255 -0.614 1397 HA VAL 75 HA VAL 75 14.980 -7.371 1.772 1398 HB VAL 75 HB VAL 75 15.918 -5.137 1.215 1399 1HG1 VAL 75 1HG1 VAL 75 15.446 -4.225 -0.790 1400 2HG1 VAL 75 2HG1 VAL 75 13.759 -4.056 -0.302 1401 3HG1 VAL 75 3HG1 VAL 75 14.297 -5.516 -1.130 1402 1HG2 VAL 75 1HG2 VAL 75 12.925 -4.904 1.602 1403 2HG2 VAL 75 2HG2 VAL 75 14.189 -3.865 2.258 1404 3HG2 VAL 75 3HG2 VAL 75 13.992 -5.507 2.870 1405 H GLY 76 H GLY 76 12.583 -7.075 2.119 1406 1HA GLY 76 2HA GLY 76 11.065 -7.815 -0.358 1407 2HA GLY 76 1HA GLY 76 10.762 -8.614 1.182 1408 H VAL 77 H VAL 77 10.758 -5.382 -0.325 1409 HA VAL 77 HA VAL 77 9.268 -4.057 1.733 1410 HB VAL 77 HB VAL 77 10.487 -2.856 -0.006 1411 1HG1 VAL 77 1HG1 VAL 77 8.885 -4.630 -1.777 1412 2HG1 VAL 77 2HG1 VAL 77 10.539 -4.048 -1.965 1413 3HG1 VAL 77 3HG1 VAL 77 9.183 -2.995 -2.369 1414 1HG2 VAL 77 1HG2 VAL 77 8.192 -1.789 -1.135 1415 2HG2 VAL 77 2HG2 VAL 77 8.898 -1.288 0.398 1416 3HG2 VAL 77 3HG2 VAL 77 7.600 -2.477 0.376 1417 H SER 78 H SER 78 7.807 -6.007 2.115 1418 HA SER 78 HA SER 78 5.765 -6.714 0.234 1419 1HB SER 78 2HB SER 78 6.618 -7.415 2.817 1420 2HB SER 78 1HB SER 78 4.959 -6.863 3.028 1421 HG SER 78 HG SER 78 5.771 -9.176 2.103 1422 H VAL 79 H VAL 79 3.403 -6.314 0.907 1423 HA VAL 79 HA VAL 79 2.572 -3.822 2.121 1424 HB VAL 79 HB VAL 79 1.771 -2.842 -0.081 1425 1HG1 VAL 79 1HG1 VAL 79 4.041 -2.281 1.079 1426 2HG1 VAL 79 2HG1 VAL 79 3.759 -1.730 -0.568 1427 3HG1 VAL 79 3HG1 VAL 79 4.750 -3.158 -0.275 1428 1HG2 VAL 79 1HG2 VAL 79 2.298 -5.310 -1.090 1429 2HG2 VAL 79 2HG2 VAL 79 3.750 -4.443 -1.589 1430 3HG2 VAL 79 3HG2 VAL 79 2.161 -3.857 -2.078 1431 H LYS 80 H LYS 80 0.084 -3.513 1.301 1432 HA LYS 80 HA LYS 80 -1.244 -5.692 0.049 1433 1HB LYS 80 2HB LYS 80 -0.429 -6.059 2.810 1434 2HB LYS 80 1HB LYS 80 -2.183 -6.149 2.674 1435 1HG LYS 80 2HG LYS 80 -2.127 -8.045 1.389 1436 2HG LYS 80 1HG LYS 80 -0.611 -7.598 0.607 1437 1HD LYS 80 2HD LYS 80 0.210 -7.929 3.196 1438 2HD LYS 80 1HD LYS 80 -1.067 -9.140 3.085 1439 1HE LYS 80 2HE LYS 80 0.453 -10.487 2.068 1440 2HE LYS 80 1HE LYS 80 0.381 -9.385 0.678 1441 1HZ LYS 80 1HZ LYS 80 2.629 -9.441 1.425 1442 2HZ LYS 80 2HZ LYS 80 2.169 -9.184 3.040 1443 3HZ LYS 80 3HZ LYS 80 1.984 -7.944 1.894 1444 HA PRO 81 HA PRO 81 -4.675 -2.953 0.897 1445 1HB PRO 81 2HB PRO 81 -6.621 -4.571 -0.116 1446 2HB PRO 81 1HB PRO 81 -5.384 -3.821 -1.145 1447 1HG PRO 81 2HG PRO 81 -5.725 -6.617 -0.440 1448 2HG PRO 81 1HG PRO 81 -4.678 -5.893 -1.667 1449 1HD PRO 81 2HD PRO 81 -3.998 -6.771 1.044 1450 2HD PRO 81 1HD PRO 81 -2.924 -6.371 -0.316 1451 H GLY 82 H GLY 82 -5.980 -2.609 2.713 1452 1HA GLY 82 2HA GLY 82 -6.621 -4.953 4.430 1453 2HA GLY 82 1HA GLY 82 -6.704 -3.265 4.942 1454 H GLU 83 H GLU 83 -8.940 -4.759 5.456 1455 HA GLU 83 HA GLU 83 -10.872 -4.952 3.379 1456 1HB GLU 83 2HB GLU 83 -12.480 -4.908 5.283 1457 2HB GLU 83 1HB GLU 83 -11.121 -5.999 5.552 1458 1HG GLU 83 2HG GLU 83 -10.437 -3.350 6.480 1459 2HG GLU 83 1HG GLU 83 -11.959 -3.861 7.211 1460 H SER 84 H SER 84 -9.610 -2.146 4.999 1461 HA SER 84 HA SER 84 -11.737 -0.306 4.875 1462 1HB SER 84 2HB SER 84 -8.857 -0.320 5.054 1463 2HB SER 84 1HB SER 84 -9.368 0.994 3.999 1464 HG SER 84 HG SER 84 -9.292 1.387 6.367 1465 H LEU 85 H LEU 85 -9.582 -1.441 2.285 1466 HA LEU 85 HA LEU 85 -10.740 0.321 0.248 1467 1HB LEU 85 2HB LEU 85 -9.115 -2.227 -0.047 1468 2HB LEU 85 1HB LEU 85 -9.288 -0.944 -1.239 1469 HG LEU 85 HG LEU 85 -8.326 0.089 1.308 1470 1HD1 LEU 85 1HD1 LEU 85 -7.411 -2.414 0.995 1471 2HD1 LEU 85 2HD1 LEU 85 -6.394 -1.126 1.637 1472 3HD1 LEU 85 3HD1 LEU 85 -6.269 -1.582 -0.060 1473 1HD2 LEU 85 1HD2 LEU 85 -8.219 0.779 -1.343 1474 2HD2 LEU 85 2HD2 LEU 85 -6.603 0.120 -1.096 1475 3HD2 LEU 85 3HD2 LEU 85 -7.169 1.463 -0.103 1476 H LYS 86 H LYS 86 -11.164 -2.980 1.409 1477 HA LYS 86 HA LYS 86 -12.884 -3.842 -0.746 1478 1HB LYS 86 2HB LYS 86 -11.644 -4.861 1.655 1479 2HB LYS 86 1HB LYS 86 -13.326 -5.383 1.585 1480 1HG LYS 86 2HG LYS 86 -13.005 -6.378 -0.585 1481 2HG LYS 86 1HG LYS 86 -11.404 -5.659 -0.737 1482 1HD LYS 86 2HD LYS 86 -11.749 -7.277 1.699 1483 2HD LYS 86 1HD LYS 86 -11.892 -8.200 0.202 1484 1HE LYS 86 2HE LYS 86 -9.624 -6.246 0.476 1485 2HE LYS 86 1HE LYS 86 -9.504 -7.828 1.270 1486 1HZ LYS 86 1HZ LYS 86 -10.084 -7.308 -1.597 1487 2HZ LYS 86 2HZ LYS 86 -10.209 -8.836 -0.865 1488 3HZ LYS 86 3HZ LYS 86 -8.702 -8.057 -0.959 1489 H LYS 87 H LYS 87 -13.484 -2.638 2.534 1490 HA LYS 87 HA LYS 87 -16.346 -2.909 2.404 1491 1HB LYS 87 2HB LYS 87 -15.117 -2.595 4.509 1492 2HB LYS 87 1HB LYS 87 -14.489 -1.049 3.939 1493 1HG LYS 87 2HG LYS 87 -16.437 0.055 4.383 1494 2HG LYS 87 1HG LYS 87 -17.438 -1.306 3.876 1495 1HD LYS 87 2HD LYS 87 -16.494 -2.442 6.056 1496 2HD LYS 87 1HD LYS 87 -16.181 -0.777 6.551 1497 1HE LYS 87 2HE LYS 87 -18.359 -1.015 7.338 1498 2HE LYS 87 1HE LYS 87 -18.709 -0.461 5.688 1499 1HZ LYS 87 1HZ LYS 87 -19.921 -2.470 6.046 1500 2HZ LYS 87 2HZ LYS 87 -18.545 -3.270 6.640 1501 3HZ LYS 87 3HZ LYS 87 -18.637 -2.834 5.001 1502 H ALA 88 H ALA 88 -14.002 -0.424 1.553 1503 HA ALA 88 HA ALA 88 -15.917 1.549 0.654 1504 1HB ALA 88 1HB ALA 88 -13.404 1.745 1.262 1505 2HB ALA 88 2HB ALA 88 -13.949 2.635 -0.160 1506 3HB ALA 88 3HB ALA 88 -13.096 1.103 -0.351 1507 H ALA 89 H ALA 89 -14.252 -1.246 -0.711 1508 HA ALA 89 HA ALA 89 -14.864 -0.888 -3.463 1509 1HB ALA 89 1HB ALA 89 -13.342 -2.600 -2.400 1510 2HB ALA 89 2HB ALA 89 -14.436 -3.272 -3.604 1511 3HB ALA 89 3HB ALA 89 -14.782 -3.481 -1.895 1512 H GLU 90 H GLU 90 -16.741 -2.449 -0.869 1513 HA GLU 90 HA GLU 90 -18.976 -3.275 -2.414 1514 1HB GLU 90 2HB GLU 90 -19.795 -3.742 -0.322 1515 2HB GLU 90 1HB GLU 90 -18.215 -3.216 0.251 1516 1HG GLU 90 2HG GLU 90 -19.131 -0.875 0.411 1517 2HG GLU 90 1HG GLU 90 -20.723 -1.527 0.024 1518 H GLY 91 H GLY 91 -17.914 -0.158 -1.206 1519 1HA GLY 91 2HA GLY 91 -20.306 1.332 -1.812 1520 2HA GLY 91 1HA GLY 91 -18.697 2.021 -1.602 1521 H LEU 92 H LEU 92 -17.459 0.420 -3.801 1522 HA LEU 92 HA LEU 92 -18.180 2.182 -6.011 1523 1HB LEU 92 2HB LEU 92 -16.187 1.394 -6.888 1524 2HB LEU 92 1HB LEU 92 -15.946 0.975 -5.201 1525 HG LEU 92 HG LEU 92 -17.239 -1.256 -6.056 1526 1HD1 LEU 92 1HD1 LEU 92 -15.390 -1.200 -8.284 1527 2HD1 LEU 92 2HD1 LEU 92 -16.554 0.116 -8.434 1528 3HD1 LEU 92 3HD1 LEU 92 -17.119 -1.548 -8.292 1529 1HD2 LEU 92 1HD2 LEU 92 -14.524 -1.738 -6.636 1530 2HD2 LEU 92 2HD2 LEU 92 -15.333 -1.975 -5.088 1531 3HD2 LEU 92 3HD2 LEU 92 -14.521 -0.449 -5.434 1532 H LYS 93 H LYS 93 -20.007 -0.246 -4.921 1533 HA LYS 93 HA LYS 93 -21.546 -1.729 -5.945 1534 1HB LYS 93 2HB LYS 93 -20.798 -0.074 -8.392 1535 2HB LYS 93 1HB LYS 93 -22.239 -1.072 -8.223 1536 1HG LYS 93 2HG LYS 93 -21.627 1.162 -6.285 1537 2HG LYS 93 1HG LYS 93 -22.515 1.448 -7.782 1538 1HD LYS 93 2HD LYS 93 -24.093 -0.410 -7.078 1539 2HD LYS 93 1HD LYS 93 -23.293 -0.389 -5.506 1540 1HE LYS 93 2HE LYS 93 -23.786 2.241 -5.714 1541 2HE LYS 93 1HE LYS 93 -25.116 1.640 -6.722 1542 1HZ LYS 93 1HZ LYS 93 -25.810 0.181 -4.993 1543 2HZ LYS 93 2HZ LYS 93 -25.638 1.722 -4.300 1544 3HZ LYS 93 3HZ LYS 93 -24.448 0.537 -4.049 1545 H TYR 94 H TYR 94 -18.832 -2.428 -5.617 1546 HA TYR 94 HA TYR 94 -17.291 -3.419 -7.658 1547 1HB TYR 94 2HB TYR 94 -16.273 -4.402 -5.894 1548 2HB TYR 94 1HB TYR 94 -17.573 -3.746 -4.902 1549 HD1 TYR 94 HD1 TYR 94 -16.142 -6.701 -6.419 1550 HD2 TYR 94 HD2 TYR 94 -19.586 -5.124 -4.417 1551 HE1 TYR 94 HE1 TYR 94 -16.953 -9.017 -6.017 1552 HE2 TYR 94 HE2 TYR 94 -20.406 -7.436 -4.009 1553 HH TYR 94 HH TYR 94 -19.834 -9.870 -5.437 1554 H GLU 95 H GLU 95 -20.368 -4.772 -6.535 1555 HA GLU 95 HA GLU 95 -20.274 -7.254 -7.947 1556 1HB GLU 95 2HB GLU 95 -22.749 -7.152 -7.670 1557 2HB GLU 95 1HB GLU 95 -21.895 -6.739 -6.186 1558 1HG GLU 95 2HG GLU 95 -23.369 -4.973 -6.232 1559 2HG GLU 95 1HG GLU 95 -22.099 -4.272 -7.231 1560 H ASP 96 H ASP 96 -21.363 -4.014 -8.928 1561 HA ASP 96 HA ASP 96 -22.364 -4.720 -11.524 1562 1HB ASP 96 2HB ASP 96 -21.569 -2.340 -9.988 1563 2HB ASP 96 1HB ASP 96 -21.260 -2.167 -11.714 1564 H PHE 97 H PHE 97 -19.180 -4.021 -10.211 1565 HA PHE 97 HA PHE 97 -17.743 -4.017 -12.742 1566 1HB PHE 97 2HB PHE 97 -17.293 -3.426 -10.041 1567 2HB PHE 97 1HB PHE 97 -16.269 -4.830 -10.342 1568 HD1 PHE 97 HD1 PHE 97 -14.087 -4.263 -10.866 1569 HD2 PHE 97 HD2 PHE 97 -17.287 -1.794 -12.314 1570 HE1 PHE 97 HE1 PHE 97 -12.442 -2.816 -12.024 1571 HE2 PHE 97 HE2 PHE 97 -15.643 -0.346 -13.475 1572 HZ PHE 97 HZ PHE 97 -13.220 -0.855 -13.331 1573 H ALA 98 H ALA 98 -18.858 -6.440 -10.475 1574 HA ALA 98 HA ALA 98 -17.155 -8.608 -11.423 1575 1HB ALA 98 1HB ALA 98 -19.471 -8.190 -9.571 1576 2HB ALA 98 2HB ALA 98 -17.888 -8.889 -9.234 1577 3HB ALA 98 3HB ALA 98 -19.107 -9.837 -10.084 1578 H LYS 99 H LYS 99 -20.705 -8.627 -11.377 1579 HA LYS 99 HA LYS 99 -20.946 -10.384 -13.629 1580 1HB LYS 99 2HB LYS 99 -22.806 -8.489 -12.175 1581 2HB LYS 99 1HB LYS 99 -23.368 -9.538 -13.476 1582 1HG LYS 99 2HG LYS 99 -22.780 -11.514 -12.269 1583 2HG LYS 99 1HG LYS 99 -21.855 -10.596 -11.081 1584 1HD LYS 99 2HD LYS 99 -24.714 -9.842 -11.395 1585 2HD LYS 99 1HD LYS 99 -24.393 -11.402 -10.638 1586 1HE LYS 99 2HE LYS 99 -22.860 -10.281 -9.020 1587 2HE LYS 99 1HE LYS 99 -23.284 -8.717 -9.744 1588 1HZ LYS 99 1HZ LYS 99 -24.705 -9.283 -7.827 1589 2HZ LYS 99 2HZ LYS 99 -25.249 -10.664 -8.656 1590 3HZ LYS 99 3HZ LYS 99 -25.591 -9.114 -9.264 Start of MODEL 13 1 1H MET 1 1H MET 1 5.782 3.146 10.853 2 2H MET 1 2H MET 1 5.135 3.801 12.281 3 3H MET 1 3H MET 1 6.638 4.340 11.701 4 HA MET 1 HA MET 1 4.986 5.993 11.177 5 1HB MET 1 2HB MET 1 6.588 4.433 9.325 6 2HB MET 1 1HB MET 1 5.209 5.153 8.495 7 1HG MET 1 2HG MET 1 5.830 7.354 9.155 8 2HG MET 1 1HG MET 1 6.986 6.753 10.344 9 1HE MET 1 1HE MET 1 6.365 7.934 6.789 10 2HE MET 1 2HE MET 1 5.952 6.224 6.695 11 3HE MET 1 3HE MET 1 7.330 6.841 5.788 12 H ASN 2 H ASN 2 3.082 6.427 9.610 13 HA ASN 2 HA ASN 2 1.410 4.336 8.664 14 1HB ASN 2 2HB ASN 2 -0.322 4.387 10.472 15 2HB ASN 2 1HB ASN 2 1.218 3.736 11.023 16 1HD2 ASN 2 1HD2 ASN 2 -0.327 4.687 13.046 17 2HD2 ASN 2 2HD2 ASN 2 0.212 6.202 13.589 18 H LYS 3 H LYS 3 -1.118 5.331 8.942 19 HA LYS 3 HA LYS 3 -1.266 7.468 7.101 20 1HB LYS 3 2HB LYS 3 -3.099 5.932 7.624 21 2HB LYS 3 1HB LYS 3 -3.189 6.561 9.269 22 1HG LYS 3 2HG LYS 3 -4.474 8.289 8.616 23 2HG LYS 3 1HG LYS 3 -3.346 8.724 7.339 24 1HD LYS 3 2HD LYS 3 -4.700 7.854 5.770 25 2HD LYS 3 1HD LYS 3 -4.735 6.307 6.599 26 1HE LYS 3 2HE LYS 3 -6.645 8.637 6.882 27 2HE LYS 3 1HE LYS 3 -7.015 6.930 6.600 28 1HZ LYS 3 1HZ LYS 3 -7.369 6.953 8.817 29 2HZ LYS 3 2HZ LYS 3 -6.358 8.290 9.092 30 3HZ LYS 3 3HZ LYS 3 -5.689 6.742 8.888 31 H THR 4 H THR 4 -0.340 7.583 10.398 32 HA THR 4 HA THR 4 -1.056 10.472 10.644 33 HB THR 4 HB THR 4 -0.131 8.348 12.606 34 HG1 THR 4 HG1 THR 4 -2.186 8.183 13.079 35 1HG2 THR 4 1HG2 THR 4 0.737 10.441 13.396 36 2HG2 THR 4 2HG2 THR 4 -0.731 10.123 14.321 37 3HG2 THR 4 3HG2 THR 4 -0.761 11.283 12.993 38 H GLU 5 H GLU 5 1.677 8.275 11.331 39 HA GLU 5 HA GLU 5 3.659 10.271 11.622 40 1HB GLU 5 2HB GLU 5 3.493 7.371 11.099 41 2HB GLU 5 1HB GLU 5 5.003 8.127 10.595 42 1HG GLU 5 2HG GLU 5 5.686 8.430 12.730 43 2HG GLU 5 1HG GLU 5 4.108 9.039 13.230 44 H LEU 6 H LEU 6 2.737 8.400 8.698 45 HA LEU 6 HA LEU 6 4.492 9.589 6.844 46 1HB LEU 6 2HB LEU 6 1.649 8.588 6.728 47 2HB LEU 6 1HB LEU 6 2.422 9.229 5.278 48 HG LEU 6 HG LEU 6 3.837 7.164 6.944 49 1HD1 LEU 6 1HD1 LEU 6 1.435 6.804 5.231 50 2HD1 LEU 6 2HD1 LEU 6 2.017 5.820 6.574 51 3HD1 LEU 6 3HD1 LEU 6 2.749 5.658 4.977 52 1HD2 LEU 6 1HD2 LEU 6 3.857 8.045 4.045 53 2HD2 LEU 6 2HD2 LEU 6 4.699 6.603 4.612 54 3HD2 LEU 6 3HD2 LEU 6 5.161 8.192 5.222 55 H ILE 7 H ILE 7 1.379 10.934 8.054 56 HA ILE 7 HA ILE 7 1.347 13.230 6.350 57 HB ILE 7 HB ILE 7 -0.380 13.953 7.634 58 1HG1 ILE 7 2HG1 ILE 7 0.952 12.984 10.169 59 2HG1 ILE 7 1HG1 ILE 7 1.162 14.605 9.511 60 1HG2 ILE 7 1HG2 ILE 7 -1.637 12.169 8.338 61 2HG2 ILE 7 2HG2 ILE 7 -0.284 11.376 9.130 62 3HG2 ILE 7 3HG2 ILE 7 -0.424 11.337 7.374 63 1HD1 ILE 7 1HD1 ILE 7 -1.133 15.110 9.738 64 2HD1 ILE 7 2HD1 ILE 7 -0.675 14.331 11.251 65 3HD1 ILE 7 3HD1 ILE 7 -1.555 13.423 10.022 66 H LYS 8 H LYS 8 2.841 12.657 9.516 67 HA LYS 8 HA LYS 8 4.098 15.192 9.848 68 1HB LYS 8 2HB LYS 8 5.308 12.490 10.519 69 2HB LYS 8 1HB LYS 8 5.575 14.014 11.356 70 1HG LYS 8 2HG LYS 8 3.061 13.980 11.884 71 2HG LYS 8 1HG LYS 8 3.092 12.295 11.365 72 1HD LYS 8 2HD LYS 8 4.626 13.553 13.650 73 2HD LYS 8 1HD LYS 8 3.436 12.255 13.734 74 1HE LYS 8 2HE LYS 8 4.945 10.713 12.601 75 2HE LYS 8 1HE LYS 8 6.110 12.014 12.298 76 1HZ LYS 8 1HZ LYS 8 6.389 12.340 14.634 77 2HZ LYS 8 2HZ LYS 8 6.614 10.685 14.317 78 3HZ LYS 8 3HZ LYS 8 5.158 11.233 15.000 79 H ALA 9 H ALA 9 4.984 12.295 7.983 80 HA ALA 9 HA ALA 9 7.605 13.005 7.168 81 1HB ALA 9 1HB ALA 9 7.279 11.275 5.658 82 2HB ALA 9 2HB ALA 9 5.662 11.829 5.224 83 3HB ALA 9 3HB ALA 9 5.922 10.964 6.738 84 H ILE 10 H ILE 10 4.420 14.011 5.963 85 HA ILE 10 HA ILE 10 5.628 15.728 3.884 86 HB ILE 10 HB ILE 10 2.935 14.724 4.763 87 1HG1 ILE 10 2HG1 ILE 10 2.651 14.297 2.379 88 2HG1 ILE 10 1HG1 ILE 10 4.122 15.196 2.019 89 1HG2 ILE 10 1HG2 ILE 10 2.288 16.982 4.728 90 2HG2 ILE 10 2HG2 ILE 10 1.925 16.439 3.090 91 3HG2 ILE 10 3HG2 ILE 10 3.385 17.375 3.404 92 1HD1 ILE 10 1HD1 ILE 10 3.921 12.618 3.600 93 2HD1 ILE 10 2HD1 ILE 10 5.403 13.557 3.426 94 3HD1 ILE 10 3HD1 ILE 10 4.654 12.826 2.010 95 H ALA 11 H ALA 11 4.091 15.850 7.034 96 HA ALA 11 HA ALA 11 3.794 18.709 7.165 97 1HB ALA 11 1HB ALA 11 3.060 16.507 8.614 98 2HB ALA 11 2HB ALA 11 2.980 18.149 9.250 99 3HB ALA 11 3HB ALA 11 4.369 17.126 9.619 100 H GLN 12 H GLN 12 6.535 16.650 7.170 101 HA GLN 12 HA GLN 12 8.220 18.827 8.325 102 1HB GLN 12 2HB GLN 12 8.681 15.824 8.177 103 2HB GLN 12 1HB GLN 12 9.782 16.985 8.919 104 1HG GLN 12 2HG GLN 12 7.082 17.312 9.946 105 2HG GLN 12 1HG GLN 12 7.651 15.660 10.178 106 1HE2 GLN 12 1HE2 GLN 12 7.308 17.834 12.240 107 2HE2 GLN 12 2HE2 GLN 12 8.835 18.008 12.962 108 H ASP 13 H ASP 13 7.962 16.366 5.723 109 HA ASP 13 HA ASP 13 10.373 17.231 4.328 110 1HB ASP 13 2HB ASP 13 7.805 15.810 3.549 111 2HB ASP 13 1HB ASP 13 9.079 16.140 2.377 112 H THR 14 H THR 14 7.064 18.151 4.575 113 HA THR 14 HA THR 14 7.325 20.325 2.568 114 HB THR 14 HB THR 14 4.730 19.793 3.828 115 HG1 THR 14 HG1 THR 14 6.065 17.712 2.427 116 1HG2 THR 14 1HG2 THR 14 4.038 19.681 1.548 117 2HG2 THR 14 2HG2 THR 14 5.694 19.413 1.009 118 3HG2 THR 14 3HG2 THR 14 5.227 20.974 1.680 119 H GLY 15 H GLY 15 5.376 19.994 5.540 120 1HA GLY 15 2HA GLY 15 5.056 21.502 7.313 121 2HA GLY 15 1HA GLY 15 6.810 21.653 7.278 122 H LEU 16 H LEU 16 5.245 22.595 4.382 123 HA LEU 16 HA LEU 16 6.095 25.354 4.736 124 1HB LEU 16 2HB LEU 16 4.241 25.270 2.595 125 2HB LEU 16 1HB LEU 16 5.996 25.333 2.486 126 HG LEU 16 HG LEU 16 5.953 22.823 2.822 127 1HD1 LEU 16 1HD1 LEU 16 3.235 22.741 1.671 128 2HD1 LEU 16 2HD1 LEU 16 3.280 23.281 3.343 129 3HD1 LEU 16 3HD1 LEU 16 3.949 21.711 2.910 130 1HD2 LEU 16 1HD2 LEU 16 6.030 22.558 0.535 131 2HD2 LEU 16 2HD2 LEU 16 5.945 24.319 0.556 132 3HD2 LEU 16 3HD2 LEU 16 4.483 23.369 0.291 133 H THR 17 H THR 17 3.225 23.534 5.161 134 HA THR 17 HA THR 17 1.907 25.718 6.598 135 HB THR 17 HB THR 17 1.579 25.399 3.831 136 HG1 THR 17 HG1 THR 17 0.031 26.981 4.141 137 1HG2 THR 17 1HG2 THR 17 0.189 23.522 3.896 138 2HG2 THR 17 2HG2 THR 17 -0.955 24.859 3.839 139 3HG2 THR 17 3HG2 THR 17 -0.632 24.051 5.362 140 H GLN 18 H GLN 18 2.374 22.387 5.804 141 HA GLN 18 HA GLN 18 1.445 20.408 6.732 142 1HB GLN 18 2HB GLN 18 0.264 22.235 8.837 143 2HB GLN 18 1HB GLN 18 0.861 20.589 9.037 144 1HG GLN 18 2HG GLN 18 3.157 21.568 8.325 145 2HG GLN 18 1HG GLN 18 2.438 23.133 8.708 146 1HE2 GLN 18 1HE2 GLN 18 4.611 21.533 10.158 147 2HE2 GLN 18 2HE2 GLN 18 4.053 21.413 11.756 148 H VAL 19 H VAL 19 0.130 22.047 4.785 149 HA VAL 19 HA VAL 19 -2.221 22.860 4.410 150 HB VAL 19 HB VAL 19 -1.520 21.585 2.597 151 1HG1 VAL 19 1HG1 VAL 19 -1.125 19.356 4.567 152 2HG1 VAL 19 2HG1 VAL 19 0.046 20.100 3.480 153 3HG1 VAL 19 3HG1 VAL 19 -1.193 19.024 2.837 154 1HG2 VAL 19 1HG2 VAL 19 -3.467 20.733 1.922 155 2HG2 VAL 19 2HG2 VAL 19 -4.042 20.865 3.579 156 3HG2 VAL 19 3HG2 VAL 19 -3.303 19.367 3.026 157 H SER 20 H SER 20 -2.988 19.530 5.024 158 HA SER 20 HA SER 20 -4.362 20.258 7.526 159 1HB SER 20 2HB SER 20 -6.408 19.375 6.767 160 2HB SER 20 1HB SER 20 -5.822 20.253 5.373 161 HG SER 20 HG SER 20 -4.809 18.156 4.805 162 H VAL 21 H VAL 21 -1.896 18.726 6.518 163 HA VAL 21 HA VAL 21 -1.355 16.276 6.405 164 HB VAL 21 HB VAL 21 -0.104 16.276 8.548 165 1HG1 VAL 21 1HG1 VAL 21 0.042 18.161 6.427 166 2HG1 VAL 21 2HG1 VAL 21 1.351 17.599 7.466 167 3HG1 VAL 21 3HG1 VAL 21 0.415 19.021 7.921 168 1HG2 VAL 21 1HG2 VAL 21 -0.353 18.343 9.984 169 2HG2 VAL 21 2HG2 VAL 21 -1.729 17.242 10.046 170 3HG2 VAL 21 3HG2 VAL 21 -1.819 18.711 9.076 171 H SER 22 H SER 22 -3.475 17.364 8.909 172 HA SER 22 HA SER 22 -4.133 14.684 9.955 173 1HB SER 22 2HB SER 22 -4.870 17.524 10.392 174 2HB SER 22 1HB SER 22 -6.130 16.356 10.778 175 HG SER 22 HG SER 22 -3.443 16.211 11.688 176 H LYS 23 H LYS 23 -5.634 17.065 7.791 177 HA LYS 23 HA LYS 23 -7.838 15.242 7.117 178 1HB LYS 23 2HB LYS 23 -7.297 18.044 7.192 179 2HB LYS 23 1HB LYS 23 -7.718 17.619 5.534 180 1HG LYS 23 2HG LYS 23 -9.731 16.432 6.415 181 2HG LYS 23 1HG LYS 23 -9.323 17.022 8.026 182 1HD LYS 23 2HD LYS 23 -11.032 18.429 6.778 183 2HD LYS 23 1HD LYS 23 -9.620 19.312 7.356 184 1HE LYS 23 2HE LYS 23 -8.818 19.691 5.227 185 2HE LYS 23 1HE LYS 23 -9.437 18.145 4.611 186 1HZ LYS 23 1HZ LYS 23 -11.154 20.430 5.426 187 2HZ LYS 23 2HZ LYS 23 -11.665 18.982 4.698 188 3HZ LYS 23 3HZ LYS 23 -10.726 20.092 3.820 189 H MET 24 H MET 24 -4.778 16.484 5.712 190 HA MET 24 HA MET 24 -5.220 15.673 3.037 191 1HB MET 24 2HB MET 24 -3.493 17.204 3.878 192 2HB MET 24 1HB MET 24 -2.778 15.913 4.822 193 1HG MET 24 2HG MET 24 -3.139 15.616 1.882 194 2HG MET 24 1HG MET 24 -1.781 16.537 2.516 195 1HE MET 24 1HE MET 24 -0.525 13.814 5.155 196 2HE MET 24 2HE MET 24 -2.187 14.360 5.358 197 3HE MET 24 3HE MET 24 -0.931 15.520 4.927 198 H LEU 25 H LEU 25 -4.344 13.981 6.014 199 HA LEU 25 HA LEU 25 -3.700 11.473 4.612 200 1HB LEU 25 2HB LEU 25 -3.128 10.710 6.756 201 2HB LEU 25 1HB LEU 25 -2.788 12.432 6.850 202 HG LEU 25 HG LEU 25 -5.203 12.643 7.767 203 1HD1 LEU 25 1HD1 LEU 25 -6.401 10.770 8.128 204 2HD1 LEU 25 2HD1 LEU 25 -5.069 10.040 9.023 205 3HD1 LEU 25 3HD1 LEU 25 -5.149 9.874 7.270 206 1HD2 LEU 25 1HD2 LEU 25 -4.428 12.095 10.067 207 2HD2 LEU 25 2HD2 LEU 25 -3.234 13.016 9.157 208 3HD2 LEU 25 3HD2 LEU 25 -3.031 11.278 9.371 209 H ALA 26 H ALA 26 -6.371 12.786 6.607 210 HA ALA 26 HA ALA 26 -8.057 10.460 6.475 211 1HB ALA 26 1HB ALA 26 -9.699 12.712 6.611 212 2HB ALA 26 2HB ALA 26 -8.169 13.286 7.271 213 3HB ALA 26 3HB ALA 26 -8.974 11.894 7.995 214 H SER 27 H SER 27 -7.218 13.003 4.286 215 HA SER 27 HA SER 27 -9.450 12.499 2.422 216 1HB SER 27 2HB SER 27 -6.999 14.262 2.546 217 2HB SER 27 1HB SER 27 -7.923 14.118 1.053 218 HG SER 27 HG SER 27 -8.548 15.363 3.438 219 H PHE 28 H PHE 28 -5.972 11.930 2.723 220 HA PHE 28 HA PHE 28 -5.496 10.659 0.218 221 1HB PHE 28 2HB PHE 28 -3.512 11.061 1.268 222 2HB PHE 28 1HB PHE 28 -4.246 10.982 2.861 223 HD1 PHE 28 HD1 PHE 28 -4.706 8.671 3.889 224 HD2 PHE 28 HD2 PHE 28 -2.277 9.220 0.386 225 HE1 PHE 28 HE1 PHE 28 -3.659 6.490 4.271 226 HE2 PHE 28 HE2 PHE 28 -1.230 7.031 0.778 227 HZ PHE 28 HZ PHE 28 -1.926 5.654 2.708 228 H GLU 29 H GLU 29 -6.482 9.265 3.371 229 HA GLU 29 HA GLU 29 -6.640 6.571 2.347 230 1HB GLU 29 2HB GLU 29 -6.505 7.472 4.763 231 2HB GLU 29 1HB GLU 29 -8.242 7.761 4.611 232 1HG GLU 29 2HG GLU 29 -7.667 5.164 3.577 233 2HG GLU 29 1HG GLU 29 -6.913 5.315 5.165 234 H LYS 30 H LYS 30 -8.797 9.307 2.702 235 HA LYS 30 HA LYS 30 -11.222 8.038 1.884 236 1HB LYS 30 2HB LYS 30 -11.112 10.244 2.974 237 2HB LYS 30 1HB LYS 30 -10.230 10.896 1.592 238 1HG LYS 30 2HG LYS 30 -12.150 10.384 0.125 239 2HG LYS 30 1HG LYS 30 -13.037 9.757 1.515 240 1HD LYS 30 2HD LYS 30 -12.333 12.184 2.485 241 2HD LYS 30 1HD LYS 30 -12.436 12.568 0.766 242 1HE LYS 30 2HE LYS 30 -14.717 12.130 0.663 243 2HE LYS 30 1HE LYS 30 -14.656 10.973 2.009 244 1HZ LYS 30 1HZ LYS 30 -15.618 13.159 2.634 245 2HZ LYS 30 2HZ LYS 30 -14.121 13.882 2.285 246 3HZ LYS 30 3HZ LYS 30 -14.246 12.743 3.540 247 H ILE 31 H ILE 31 -8.356 9.050 0.147 248 HA ILE 31 HA ILE 31 -9.844 8.607 -2.397 249 HB ILE 31 HB ILE 31 -7.676 9.624 -3.328 250 1HG1 ILE 31 2HG1 ILE 31 -7.279 11.401 -1.176 251 2HG1 ILE 31 1HG1 ILE 31 -7.093 9.762 -0.569 252 1HG2 ILE 31 1HG2 ILE 31 -8.676 11.950 -2.671 253 2HG2 ILE 31 2HG2 ILE 31 -9.921 10.975 -1.891 254 3HG2 ILE 31 3HG2 ILE 31 -9.648 10.830 -3.626 255 1HD1 ILE 31 1HD1 ILE 31 -5.858 10.460 -3.190 256 2HD1 ILE 31 2HD1 ILE 31 -5.352 9.258 -2.004 257 3HD1 ILE 31 3HD1 ILE 31 -5.053 10.970 -1.706 258 H ILE 32 H ILE 32 -7.267 7.485 -0.396 259 HA ILE 32 HA ILE 32 -6.150 5.626 -2.338 260 HB ILE 32 HB ILE 32 -6.078 5.662 0.702 261 1HG1 ILE 32 2HG1 ILE 32 -5.025 7.546 -1.058 262 2HG1 ILE 32 1HG1 ILE 32 -4.448 7.248 0.579 263 1HG2 ILE 32 1HG2 ILE 32 -4.479 4.164 -1.394 264 2HG2 ILE 32 2HG2 ILE 32 -5.460 3.486 -0.095 265 3HG2 ILE 32 3HG2 ILE 32 -3.954 4.324 0.281 266 1HD1 ILE 32 1HD1 ILE 32 -3.429 5.767 -1.854 267 2HD1 ILE 32 2HD1 ILE 32 -2.768 5.716 -0.219 268 3HD1 ILE 32 3HD1 ILE 32 -2.645 7.194 -1.175 269 H THR 33 H THR 33 -8.030 5.216 0.639 270 HA THR 33 HA THR 33 -8.813 2.548 -0.010 271 HB THR 33 HB THR 33 -9.085 4.530 2.116 272 HG1 THR 33 HG1 THR 33 -8.446 2.854 3.186 273 1HG2 THR 33 1HG2 THR 33 -11.436 4.502 1.662 274 2HG2 THR 33 2HG2 THR 33 -11.160 3.477 3.071 275 3HG2 THR 33 3HG2 THR 33 -11.436 2.747 1.489 276 H GLU 34 H GLU 34 -10.225 5.789 -0.531 277 HA GLU 34 HA GLU 34 -12.790 4.702 -1.420 278 1HB GLU 34 2HB GLU 34 -11.437 7.386 -1.448 279 2HB GLU 34 1HB GLU 34 -13.099 7.147 -1.967 280 1HG GLU 34 2HG GLU 34 -12.065 6.293 0.763 281 2HG GLU 34 1HG GLU 34 -12.884 7.830 0.474 282 H THR 35 H THR 35 -9.716 5.631 -3.047 283 HA THR 35 HA THR 35 -10.968 5.809 -5.675 284 HB THR 35 HB THR 35 -8.129 5.346 -4.743 285 HG1 THR 35 HG1 THR 35 -9.157 7.456 -4.670 286 1HG2 THR 35 1HG2 THR 35 -9.390 4.924 -7.392 287 2HG2 THR 35 2HG2 THR 35 -7.907 4.237 -6.736 288 3HG2 THR 35 3HG2 THR 35 -7.901 5.866 -7.412 289 H VAL 36 H VAL 36 -8.963 3.280 -4.123 290 HA VAL 36 HA VAL 36 -9.381 1.278 -6.105 291 HB VAL 36 HB VAL 36 -9.165 1.079 -3.080 292 1HG1 VAL 36 1HG1 VAL 36 -7.995 -1.160 -4.104 293 2HG1 VAL 36 2HG1 VAL 36 -9.296 -0.907 -5.264 294 3HG1 VAL 36 3HG1 VAL 36 -9.669 -1.092 -3.552 295 1HG2 VAL 36 1HG2 VAL 36 -7.379 2.268 -4.655 296 2HG2 VAL 36 2HG2 VAL 36 -6.909 0.601 -4.979 297 3HG2 VAL 36 3HG2 VAL 36 -6.871 1.224 -3.330 298 H ALA 37 H ALA 37 -11.236 2.271 -3.286 299 HA ALA 37 HA ALA 37 -13.346 0.344 -3.601 300 1HB ALA 37 1HB ALA 37 -12.879 2.932 -2.167 301 2HB ALA 37 2HB ALA 37 -13.156 1.329 -1.494 302 3HB ALA 37 3HB ALA 37 -14.496 2.240 -2.188 303 H LYS 38 H LYS 38 -12.484 3.345 -5.111 304 HA LYS 38 HA LYS 38 -15.178 3.857 -6.229 305 1HB LYS 38 2HB LYS 38 -12.481 5.107 -6.181 306 2HB LYS 38 1HB LYS 38 -13.418 5.398 -7.641 307 1HG LYS 38 2HG LYS 38 -15.270 6.285 -6.318 308 2HG LYS 38 1HG LYS 38 -14.412 5.908 -4.824 309 1HD LYS 38 2HD LYS 38 -12.800 7.507 -6.674 310 2HD LYS 38 1HD LYS 38 -14.285 8.321 -6.179 311 1HE LYS 38 2HE LYS 38 -13.647 7.610 -3.767 312 2HE LYS 38 1HE LYS 38 -12.028 7.323 -4.436 313 1HZ LYS 38 1HZ LYS 38 -12.195 9.605 -3.715 314 2HZ LYS 38 2HZ LYS 38 -13.600 9.838 -4.642 315 3HZ LYS 38 3HZ LYS 38 -12.108 9.562 -5.408 316 H GLY 39 H GLY 39 -12.243 2.223 -6.914 317 1HA GLY 39 2HA GLY 39 -12.242 0.375 -8.415 318 2HA GLY 39 1HA GLY 39 -13.468 1.198 -9.376 319 H ASP 40 H ASP 40 -10.599 2.827 -8.154 320 HA ASP 40 HA ASP 40 -9.636 3.025 -10.999 321 1HB ASP 40 2HB ASP 40 -10.384 4.985 -9.065 322 2HB ASP 40 1HB ASP 40 -8.641 5.124 -9.306 323 H LYS 41 H LYS 41 -7.499 2.504 -11.375 324 HA LYS 41 HA LYS 41 -6.024 1.030 -9.370 325 1HB LYS 41 2HB LYS 41 -5.733 1.898 -12.208 326 2HB LYS 41 1HB LYS 41 -4.257 1.431 -11.363 327 1HG LYS 41 2HG LYS 41 -4.891 -0.765 -11.179 328 2HG LYS 41 1HG LYS 41 -6.601 -0.364 -11.014 329 1HD LYS 41 2HD LYS 41 -6.158 0.464 -13.564 330 2HD LYS 41 1HD LYS 41 -5.008 -0.870 -13.462 331 1HE LYS 41 2HE LYS 41 -7.121 -2.088 -12.327 332 2HE LYS 41 1HE LYS 41 -7.989 -0.937 -13.363 333 1HZ LYS 41 1HZ LYS 41 -6.454 -1.620 -15.186 334 2HZ LYS 41 2HZ LYS 41 -7.515 -2.845 -14.679 335 3HZ LYS 41 3HZ LYS 41 -5.889 -2.868 -14.186 336 H VAL 42 H VAL 42 -5.852 2.728 -7.688 337 HA VAL 42 HA VAL 42 -4.339 5.169 -8.167 338 HB VAL 42 HB VAL 42 -6.036 4.834 -6.374 339 1HG1 VAL 42 1HG1 VAL 42 -5.682 3.374 -4.549 340 2HG1 VAL 42 2HG1 VAL 42 -3.969 3.185 -4.920 341 3HG1 VAL 42 3HG1 VAL 42 -5.183 2.423 -5.947 342 1HG2 VAL 42 1HG2 VAL 42 -3.267 5.354 -5.250 343 2HG2 VAL 42 2HG2 VAL 42 -4.796 5.955 -4.609 344 3HG2 VAL 42 3HG2 VAL 42 -4.202 6.537 -6.165 345 H GLN 43 H GLN 43 -2.091 5.503 -7.863 346 HA GLN 43 HA GLN 43 -0.480 3.262 -6.744 347 1HB GLN 43 2HB GLN 43 0.922 3.263 -8.793 348 2HB GLN 43 1HB GLN 43 -0.748 2.827 -9.151 349 1HG GLN 43 2HG GLN 43 -0.865 5.532 -9.430 350 2HG GLN 43 1HG GLN 43 0.792 5.221 -9.944 351 1HE2 GLN 43 1HE2 GLN 43 -2.602 4.285 -10.609 352 2HE2 GLN 43 2HE2 GLN 43 -2.313 3.770 -12.200 353 H LEU 44 H LEU 44 1.793 3.898 -6.414 354 HA LEU 44 HA LEU 44 2.079 6.840 -5.935 355 1HB LEU 44 2HB LEU 44 3.744 4.574 -4.801 356 2HB LEU 44 1HB LEU 44 3.584 6.211 -4.177 357 HG LEU 44 HG LEU 44 1.345 4.166 -4.265 358 1HD1 LEU 44 1HD1 LEU 44 2.865 5.266 -1.882 359 2HD1 LEU 44 2HD1 LEU 44 3.160 3.687 -2.584 360 3HD1 LEU 44 3HD1 LEU 44 1.604 4.039 -1.848 361 1HD2 LEU 44 1HD2 LEU 44 0.528 6.063 -2.552 362 2HD2 LEU 44 2HD2 LEU 44 0.201 6.160 -4.283 363 3HD2 LEU 44 3HD2 LEU 44 1.550 7.059 -3.588 364 H THR 45 H THR 45 3.117 7.699 -7.710 365 HA THR 45 HA THR 45 4.516 7.789 -9.623 366 HB THR 45 HB THR 45 6.000 8.772 -8.149 367 HG1 THR 45 HG1 THR 45 7.981 7.887 -8.580 368 1HG2 THR 45 1HG2 THR 45 7.163 7.533 -6.316 369 2HG2 THR 45 2HG2 THR 45 6.205 6.114 -6.724 370 3HG2 THR 45 3HG2 THR 45 5.412 7.568 -6.128 371 H GLY 46 H GLY 46 6.695 5.374 -8.282 372 1HA GLY 46 2HA GLY 46 5.638 3.378 -10.211 373 2HA GLY 46 1HA GLY 46 7.331 3.850 -10.315 374 H PHE 47 H PHE 47 6.244 3.839 -7.053 375 HA PHE 47 HA PHE 47 7.591 1.195 -6.721 376 1HB PHE 47 2HB PHE 47 8.284 1.941 -4.577 377 2HB PHE 47 1HB PHE 47 8.517 3.312 -5.656 378 HD1 PHE 47 HD1 PHE 47 7.193 5.290 -5.467 379 HD2 PHE 47 HD2 PHE 47 6.395 1.910 -2.962 380 HE1 PHE 47 HE1 PHE 47 5.745 6.691 -4.038 381 HE2 PHE 47 HE2 PHE 47 4.949 3.306 -1.533 382 HZ PHE 47 HZ PHE 47 4.626 5.697 -2.076 383 H LEU 48 H LEU 48 4.518 2.779 -6.315 384 HA LEU 48 HA LEU 48 3.518 0.233 -5.131 385 1HB LEU 48 2HB LEU 48 3.432 2.962 -4.136 386 2HB LEU 48 1HB LEU 48 1.845 2.209 -4.173 387 HG LEU 48 HG LEU 48 4.107 1.710 -2.389 388 1HD1 LEU 48 1HD1 LEU 48 1.146 1.367 -2.484 389 2HD1 LEU 48 2HD1 LEU 48 2.143 2.203 -1.293 390 3HD1 LEU 48 3HD1 LEU 48 2.043 0.441 -1.280 391 1HD2 LEU 48 1HD2 LEU 48 4.515 -0.321 -3.626 392 2HD2 LEU 48 2HD2 LEU 48 2.790 -0.647 -3.781 393 3HD2 LEU 48 3HD2 LEU 48 3.576 -0.783 -2.210 394 H ASN 49 H ASN 49 1.482 -0.446 -5.804 395 HA ASN 49 HA ASN 49 -0.125 1.238 -7.631 396 1HB ASN 49 2HB ASN 49 1.882 -0.478 -8.577 397 2HB ASN 49 1HB ASN 49 0.388 -1.388 -8.803 398 1HD2 ASN 49 1HD2 ASN 49 -1.162 -0.586 -10.348 399 2HD2 ASN 49 2HD2 ASN 49 -0.822 0.716 -11.382 400 H ILE 50 H ILE 50 -2.160 0.926 -6.769 401 HA ILE 50 HA ILE 50 -2.864 -1.772 -5.668 402 HB ILE 50 HB ILE 50 -4.041 0.987 -5.238 403 1HG1 ILE 50 2HG1 ILE 50 -1.726 -0.336 -4.129 404 2HG1 ILE 50 1HG1 ILE 50 -2.319 1.290 -3.820 405 1HG2 ILE 50 1HG2 ILE 50 -4.585 -1.592 -3.739 406 2HG2 ILE 50 2HG2 ILE 50 -5.652 -0.908 -4.962 407 3HG2 ILE 50 3HG2 ILE 50 -5.353 -0.031 -3.462 408 1HD1 ILE 50 1HD1 ILE 50 -2.253 0.045 -1.725 409 2HD1 ILE 50 2HD1 ILE 50 -3.227 -1.246 -2.426 410 3HD1 ILE 50 3HD1 ILE 50 -3.933 0.350 -2.165 411 H LYS 51 H LYS 51 -5.009 -2.664 -6.207 412 HA LYS 51 HA LYS 51 -6.635 -1.231 -8.209 413 1HB LYS 51 2HB LYS 51 -6.274 -3.038 -9.938 414 2HB LYS 51 1HB LYS 51 -4.851 -2.045 -9.625 415 1HG LYS 51 2HG LYS 51 -3.912 -3.759 -8.175 416 2HG LYS 51 1HG LYS 51 -5.376 -4.731 -8.320 417 1HD LYS 51 2HD LYS 51 -3.826 -3.921 -10.771 418 2HD LYS 51 1HD LYS 51 -3.358 -5.341 -9.835 419 1HE LYS 51 2HE LYS 51 -5.335 -6.493 -10.340 420 2HE LYS 51 1HE LYS 51 -6.231 -4.999 -10.678 421 1HZ LYS 51 1HZ LYS 51 -4.778 -4.614 -12.586 422 2HZ LYS 51 2HZ LYS 51 -5.613 -6.086 -12.742 423 3HZ LYS 51 3HZ LYS 51 -3.976 -6.078 -12.286 424 HA PRO 52 HA PRO 52 -9.352 -4.115 -6.145 425 1HB PRO 52 2HB PRO 52 -11.686 -2.891 -6.809 426 2HB PRO 52 1HB PRO 52 -10.615 -2.279 -5.537 427 1HG PRO 52 2HG PRO 52 -11.114 -1.234 -8.226 428 2HG PRO 52 1HG PRO 52 -10.508 -0.412 -6.788 429 1HD PRO 52 2HD PRO 52 -8.992 -1.338 -9.013 430 2HD PRO 52 1HD PRO 52 -8.383 -0.600 -7.516 431 H VAL 53 H VAL 53 -10.525 -5.870 -6.823 432 HA VAL 53 HA VAL 53 -11.477 -5.978 -9.620 433 HB VAL 53 HB VAL 53 -10.271 -8.094 -9.965 434 1HG1 VAL 53 1HG1 VAL 53 -9.223 -5.791 -10.406 435 2HG1 VAL 53 2HG1 VAL 53 -8.090 -7.133 -10.241 436 3HG1 VAL 53 3HG1 VAL 53 -8.337 -6.018 -8.897 437 1HG2 VAL 53 1HG2 VAL 53 -9.406 -7.540 -7.129 438 2HG2 VAL 53 2HG2 VAL 53 -8.448 -8.571 -8.184 439 3HG2 VAL 53 3HG2 VAL 53 -10.106 -9.018 -7.780 440 H ALA 54 H ALA 54 -13.524 -6.555 -9.466 441 HA ALA 54 HA ALA 54 -15.137 -7.321 -7.467 442 1HB ALA 54 1HB ALA 54 -14.959 -8.168 -10.325 443 2HB ALA 54 2HB ALA 54 -16.170 -7.166 -9.526 444 3HB ALA 54 3HB ALA 54 -16.193 -8.916 -9.312 445 H ARG 55 H ARG 55 -15.152 -8.834 -5.917 446 HA ARG 55 HA ARG 55 -14.593 -11.650 -6.449 447 1HB ARG 55 2HB ARG 55 -12.470 -9.878 -5.787 448 2HB ARG 55 1HB ARG 55 -12.798 -10.811 -4.329 449 1HG ARG 55 2HG ARG 55 -12.880 -12.576 -6.601 450 2HG ARG 55 1HG ARG 55 -11.382 -11.647 -6.651 451 1HD ARG 55 2HD ARG 55 -11.900 -12.500 -3.931 452 2HD ARG 55 1HD ARG 55 -11.916 -13.897 -5.025 453 HE ARG 55 HE ARG 55 -9.740 -12.392 -5.879 454 1HH1 ARG 55 1HH2 ARG 55 -9.404 -11.486 -3.077 455 2HH1 ARG 55 2HH2 ARG 55 -8.426 -12.737 -2.387 456 1HH2 ARG 55 1HH1 ARG 55 -9.073 -15.009 -4.926 457 2HH2 ARG 55 2HH1 ARG 55 -8.239 -14.732 -3.433 458 H GLN 56 H GLN 56 -13.960 -12.038 -3.514 459 HA GLN 56 HA GLN 56 -15.972 -10.682 -1.966 460 1HB GLN 56 2HB GLN 56 -17.511 -12.688 -1.820 461 2HB GLN 56 1HB GLN 56 -17.547 -11.817 -3.345 462 1HG GLN 56 2HG GLN 56 -15.486 -13.852 -3.408 463 2HG GLN 56 1HG GLN 56 -17.029 -14.573 -2.954 464 1HE2 GLN 56 1HE2 GLN 56 -15.258 -14.150 -5.636 465 2HE2 GLN 56 2HE2 GLN 56 -16.475 -13.859 -6.784 466 H ALA 57 H ALA 57 -16.688 -12.588 -0.131 467 HA ALA 57 HA ALA 57 -14.447 -14.221 0.805 468 1HB ALA 57 1HB ALA 57 -13.989 -12.635 2.698 469 2HB ALA 57 2HB ALA 57 -15.093 -11.486 1.942 470 3HB ALA 57 3HB ALA 57 -13.601 -11.948 1.121 471 H ARG 58 H ARG 58 -15.352 -15.688 2.427 472 HA ARG 58 HA ARG 58 -17.471 -14.835 4.217 473 1HB ARG 58 2HB ARG 58 -19.336 -15.880 3.115 474 2HB ARG 58 1HB ARG 58 -18.569 -14.788 1.977 475 1HG ARG 58 2HG ARG 58 -17.762 -17.687 2.078 476 2HG ARG 58 1HG ARG 58 -19.173 -17.188 1.160 477 1HD ARG 58 2HD ARG 58 -17.653 -15.427 0.070 478 2HD ARG 58 1HD ARG 58 -16.307 -16.359 0.748 479 HE ARG 58 HE ARG 58 -17.019 -18.279 -0.580 480 1HH1 ARG 58 1HH1 ARG 58 -19.955 -17.246 -0.652 481 2HH1 ARG 58 2HH1 ARG 58 -20.116 -16.921 -2.345 482 1HH2 ARG 58 1HH2 ARG 58 -16.708 -17.052 -2.967 483 2HH2 ARG 58 2HH2 ARG 58 -18.280 -16.811 -3.655 484 H LYS 59 H LYS 59 -18.986 -16.980 4.503 485 HA LYS 59 HA LYS 59 -18.207 -19.610 4.499 486 1HB LYS 59 2HB LYS 59 -16.512 -17.958 6.196 487 2HB LYS 59 1HB LYS 59 -17.281 -19.251 7.109 488 1HG LYS 59 2HG LYS 59 -16.450 -20.918 5.528 489 2HG LYS 59 1HG LYS 59 -15.739 -19.649 4.530 490 1HD LYS 59 2HD LYS 59 -14.993 -20.128 7.429 491 2HD LYS 59 1HD LYS 59 -14.091 -20.784 6.061 492 1HE LYS 59 2HE LYS 59 -14.153 -18.222 5.272 493 2HE LYS 59 1HE LYS 59 -14.273 -17.961 7.024 494 1HZ LYS 59 1HZ LYS 59 -12.212 -19.528 5.570 495 2HZ LYS 59 2HZ LYS 59 -12.417 -19.596 7.256 496 3HZ LYS 59 3HZ LYS 59 -11.973 -18.136 6.510 497 H GLY 60 H GLY 60 -20.464 -17.615 4.935 498 1HA GLY 60 2HA GLY 60 -21.916 -19.184 6.947 499 2HA GLY 60 1HA GLY 60 -21.667 -17.492 7.366 500 H PHE 61 H PHE 61 -23.246 -16.113 6.696 501 HA PHE 61 HA PHE 61 -25.635 -16.847 5.444 502 1HB PHE 61 2HB PHE 61 -24.181 -14.425 6.155 503 2HB PHE 61 1HB PHE 61 -25.188 -14.180 4.728 504 HD1 PHE 61 HD1 PHE 61 -27.536 -15.727 5.057 505 HD2 PHE 61 HD2 PHE 61 -25.260 -13.713 8.094 506 HE1 PHE 61 HE1 PHE 61 -29.551 -15.619 6.498 507 HE2 PHE 61 HE2 PHE 61 -27.275 -13.606 9.534 508 HZ PHE 61 HZ PHE 61 -29.421 -14.557 8.736 509 H ASN 62 H ASN 62 -26.382 -15.697 3.270 510 HA ASN 62 HA ASN 62 -24.336 -15.852 1.136 511 1HB ASN 62 2HB ASN 62 -26.458 -17.840 1.700 512 2HB ASN 62 1HB ASN 62 -26.314 -17.353 0.011 513 1HD2 ASN 62 1HD2 ASN 62 -24.796 -18.520 -1.162 514 2HD2 ASN 62 2HD2 ASN 62 -23.459 -19.325 -0.496 515 HA PRO 63 HA PRO 63 -28.043 -13.669 -0.781 516 1HB PRO 63 2HB PRO 63 -30.580 -14.167 0.103 517 2HB PRO 63 1HB PRO 63 -29.792 -15.175 -1.128 518 1HG PRO 63 2HG PRO 63 -30.140 -15.672 1.782 519 2HG PRO 63 1HG PRO 63 -30.269 -16.801 0.427 520 1HD PRO 63 2HD PRO 63 -28.086 -16.640 2.048 521 2HD PRO 63 1HD PRO 63 -28.019 -17.156 0.348 522 H GLN 64 H GLN 64 -27.791 -14.191 2.583 523 HA GLN 64 HA GLN 64 -27.763 -12.723 4.400 524 1HB GLN 64 2HB GLN 64 -26.841 -11.266 2.438 525 2HB GLN 64 1HB GLN 64 -28.424 -10.491 2.497 526 1HG GLN 64 2HG GLN 64 -27.993 -9.463 4.487 527 2HG GLN 64 1HG GLN 64 -27.108 -10.850 5.122 528 1HE2 GLN 64 1HE2 GLN 64 -26.715 -8.323 2.566 529 2HE2 GLN 64 2HE2 GLN 64 -25.047 -8.128 2.814 530 H THR 65 H THR 65 -29.857 -13.978 4.699 531 HA THR 65 HA THR 65 -31.907 -12.229 5.641 532 HB THR 65 HB THR 65 -33.473 -13.449 3.684 533 HG1 THR 65 HG1 THR 65 -32.315 -12.796 1.763 534 1HG2 THR 65 1HG2 THR 65 -34.094 -11.302 3.306 535 2HG2 THR 65 2HG2 THR 65 -32.440 -10.781 2.987 536 3HG2 THR 65 3HG2 THR 65 -33.014 -10.926 4.649 537 H GLN 66 H GLN 66 -30.847 -15.466 4.753 538 HA GLN 66 HA GLN 66 -32.102 -16.610 7.089 539 1HB GLN 66 2HB GLN 66 -33.873 -17.871 5.978 540 2HB GLN 66 1HB GLN 66 -34.071 -16.156 5.631 541 1HG GLN 66 2HG GLN 66 -32.514 -17.927 3.751 542 2HG GLN 66 1HG GLN 66 -34.272 -17.843 3.660 543 1HE2 GLN 66 1HE2 GLN 66 -31.301 -16.067 3.061 544 2HE2 GLN 66 2HE2 GLN 66 -32.024 -14.722 2.324 545 H GLU 67 H GLU 67 -30.114 -17.010 4.243 546 HA GLU 67 HA GLU 67 -29.854 -19.907 4.564 547 1HB GLU 67 2HB GLU 67 -29.561 -18.084 2.519 548 2HB GLU 67 1HB GLU 67 -27.885 -18.393 2.971 549 1HG GLU 67 2HG GLU 67 -27.956 -20.576 2.283 550 2HG GLU 67 1HG GLU 67 -29.641 -20.779 2.760 551 H ALA 68 H ALA 68 -27.077 -20.057 4.135 552 HA ALA 68 HA ALA 68 -25.356 -18.646 5.853 553 1HB ALA 68 1HB ALA 68 -26.481 -19.088 7.809 554 2HB ALA 68 2HB ALA 68 -25.520 -20.565 7.742 555 3HB ALA 68 3HB ALA 68 -27.193 -20.574 7.182 556 H LEU 69 H LEU 69 -24.329 -19.607 3.722 557 HA LEU 69 HA LEU 69 -22.744 -21.961 4.578 558 1HB LEU 69 2HB LEU 69 -23.291 -23.157 2.475 559 2HB LEU 69 1HB LEU 69 -24.728 -22.870 3.456 560 HG LEU 69 HG LEU 69 -24.754 -20.612 1.984 561 1HD1 LEU 69 1HD1 LEU 69 -22.888 -20.987 0.589 562 2HD1 LEU 69 2HD1 LEU 69 -24.256 -21.476 -0.411 563 3HD1 LEU 69 3HD1 LEU 69 -23.270 -22.698 0.391 564 1HD2 LEU 69 1HD2 LEU 69 -25.791 -23.297 1.022 565 2HD2 LEU 69 2HD2 LEU 69 -26.433 -21.715 0.580 566 3HD2 LEU 69 3HD2 LEU 69 -26.577 -22.293 2.240 567 H GLU 70 H GLU 70 -22.506 -18.929 3.576 568 HA GLU 70 HA GLU 70 -20.007 -18.432 2.979 569 1HB GLU 70 2HB GLU 70 -21.016 -20.242 0.797 570 2HB GLU 70 1HB GLU 70 -19.894 -18.964 0.349 571 1HG GLU 70 2HG GLU 70 -18.981 -20.254 2.772 572 2HG GLU 70 1HG GLU 70 -19.241 -21.456 1.509 573 H ILE 71 H ILE 71 -20.774 -16.268 3.138 574 HA ILE 71 HA ILE 71 -22.609 -15.115 1.151 575 HB ILE 71 HB ILE 71 -23.011 -13.872 3.016 576 1HG1 ILE 71 2HG1 ILE 71 -21.398 -12.276 1.946 577 2HG1 ILE 71 1HG1 ILE 71 -21.583 -12.103 3.677 578 1HG2 ILE 71 1HG2 ILE 71 -20.452 -14.934 4.228 579 2HG2 ILE 71 2HG2 ILE 71 -22.028 -15.713 4.338 580 3HG2 ILE 71 3HG2 ILE 71 -21.767 -14.143 5.089 581 1HD1 ILE 71 1HD1 ILE 71 -19.227 -13.030 2.126 582 2HD1 ILE 71 2HD1 ILE 71 -19.517 -13.814 3.673 583 3HD1 ILE 71 3HD1 ILE 71 -19.294 -12.069 3.597 584 H ALA 72 H ALA 72 -21.204 -12.625 0.529 585 HA ALA 72 HA ALA 72 -18.435 -13.032 -0.112 586 1HB ALA 72 1HB ALA 72 -18.750 -14.771 -1.542 587 2HB ALA 72 2HB ALA 72 -19.185 -13.515 -2.699 588 3HB ALA 72 3HB ALA 72 -20.445 -14.376 -1.815 589 HA PRO 73 HA PRO 73 -19.867 -9.068 -1.920 590 1HB PRO 73 2HB PRO 73 -20.282 -7.502 0.291 591 2HB PRO 73 1HB PRO 73 -21.533 -8.590 -0.344 592 1HG PRO 73 2HG PRO 73 -20.063 -8.796 2.139 593 2HG PRO 73 1HG PRO 73 -21.406 -9.794 1.562 594 1HD PRO 73 2HD PRO 73 -18.488 -10.312 1.405 595 2HD PRO 73 1HD PRO 73 -19.846 -11.455 1.376 596 H SER 74 H SER 74 -17.360 -9.104 -2.410 597 HA SER 74 HA SER 74 -16.086 -6.861 -1.017 598 1HB SER 74 2HB SER 74 -15.945 -9.226 0.276 599 2HB SER 74 1HB SER 74 -14.538 -9.388 -0.770 600 HG SER 74 HG SER 74 -14.470 -8.211 1.432 601 H VAL 75 H VAL 75 -15.268 -5.853 -2.828 602 HA VAL 75 HA VAL 75 -14.513 -7.082 -5.272 603 HB VAL 75 HB VAL 75 -14.808 -4.557 -4.326 604 1HG1 VAL 75 1HG1 VAL 75 -11.810 -4.931 -4.623 605 2HG1 VAL 75 2HG1 VAL 75 -12.654 -4.580 -3.116 606 3HG1 VAL 75 3HG1 VAL 75 -12.637 -3.391 -4.418 607 1HG2 VAL 75 1HG2 VAL 75 -14.951 -5.086 -6.667 608 2HG2 VAL 75 2HG2 VAL 75 -13.234 -5.477 -6.743 609 3HG2 VAL 75 3HG2 VAL 75 -13.749 -3.808 -6.500 610 H GLY 76 H GLY 76 -11.981 -6.745 -5.999 611 1HA GLY 76 2HA GLY 76 -10.418 -8.242 -3.925 612 2HA GLY 76 1HA GLY 76 -10.163 -8.407 -5.662 613 H VAL 77 H VAL 77 -10.228 -5.795 -3.221 614 HA VAL 77 HA VAL 77 -8.647 -3.907 -4.607 615 HB VAL 77 HB VAL 77 -9.900 -3.460 -2.541 616 1HG1 VAL 77 1HG1 VAL 77 -9.185 -5.802 -1.603 617 2HG1 VAL 77 2HG1 VAL 77 -9.432 -4.468 -0.478 618 3HG1 VAL 77 3HG1 VAL 77 -7.799 -4.923 -0.960 619 1HG2 VAL 77 1HG2 VAL 77 -7.217 -2.643 -3.048 620 2HG2 VAL 77 2HG2 VAL 77 -7.370 -2.878 -1.308 621 3HG2 VAL 77 3HG2 VAL 77 -8.458 -1.777 -2.147 622 H SER 78 H SER 78 -7.136 -5.498 -5.661 623 HA SER 78 HA SER 78 -4.998 -6.622 -4.004 624 1HB SER 78 2HB SER 78 -5.858 -7.604 -6.140 625 2HB SER 78 1HB SER 78 -5.239 -6.200 -7.003 626 HG SER 78 HG SER 78 -3.871 -8.200 -6.805 627 H VAL 79 H VAL 79 -2.691 -6.015 -4.899 628 HA VAL 79 HA VAL 79 -2.085 -3.412 -5.870 629 HB VAL 79 HB VAL 79 -2.927 -2.386 -3.934 630 1HG1 VAL 79 1HG1 VAL 79 -2.316 -5.018 -2.670 631 2HG1 VAL 79 2HG1 VAL 79 -3.784 -4.044 -2.585 632 3HG1 VAL 79 3HG1 VAL 79 -2.376 -3.603 -1.620 633 1HG2 VAL 79 1HG2 VAL 79 -0.165 -3.203 -2.992 634 2HG2 VAL 79 2HG2 VAL 79 -1.105 -1.839 -2.392 635 3HG2 VAL 79 3HG2 VAL 79 -0.516 -1.838 -4.052 636 H LYS 80 H LYS 80 0.276 -2.876 -5.296 637 HA LYS 80 HA LYS 80 2.073 -4.710 -4.116 638 1HB LYS 80 2HB LYS 80 2.977 -5.722 -6.238 639 2HB LYS 80 1HB LYS 80 1.323 -6.223 -5.911 640 1HG LYS 80 2HG LYS 80 0.548 -5.232 -7.789 641 2HG LYS 80 1HG LYS 80 1.437 -3.745 -7.459 642 1HD LYS 80 2HD LYS 80 2.400 -4.560 -9.461 643 2HD LYS 80 1HD LYS 80 3.535 -5.056 -8.205 644 1HE LYS 80 2HE LYS 80 3.310 -7.135 -9.138 645 2HE LYS 80 1HE LYS 80 1.769 -7.182 -8.256 646 1HZ LYS 80 1HZ LYS 80 2.205 -6.188 -11.023 647 2HZ LYS 80 2HZ LYS 80 0.745 -6.030 -10.168 648 3HZ LYS 80 3HZ LYS 80 1.335 -7.571 -10.571 649 HA PRO 81 HA PRO 81 4.609 -1.322 -5.341 650 1HB PRO 81 2HB PRO 81 7.109 -2.410 -5.369 651 2HB PRO 81 1HB PRO 81 6.201 -2.135 -3.870 652 1HG PRO 81 2HG PRO 81 6.750 -4.650 -5.297 653 2HG PRO 81 1HG PRO 81 6.414 -4.370 -3.584 654 1HD PRO 81 2HD PRO 81 4.609 -5.331 -5.530 655 2HD PRO 81 1HD PRO 81 4.227 -4.841 -3.866 656 H GLY 82 H GLY 82 6.396 -0.688 -6.980 657 1HA GLY 82 2HA GLY 82 5.987 -2.175 -9.559 658 2HA GLY 82 1HA GLY 82 6.198 -0.415 -9.481 659 H GLU 83 H GLU 83 8.169 0.265 -8.226 660 HA GLU 83 HA GLU 83 10.554 -1.258 -9.157 661 1HB GLU 83 2HB GLU 83 10.298 1.272 -9.337 662 2HB GLU 83 1HB GLU 83 10.284 1.328 -7.571 663 1HG GLU 83 2HG GLU 83 12.490 0.501 -7.409 664 2HG GLU 83 1HG GLU 83 12.493 -0.053 -9.084 665 H SER 84 H SER 84 9.113 -2.711 -7.501 666 HA SER 84 HA SER 84 8.789 -3.335 -5.177 667 1HB SER 84 2HB SER 84 11.567 -4.224 -5.868 668 2HB SER 84 1HB SER 84 10.304 -5.139 -5.056 669 HG SER 84 HG SER 84 10.027 -5.869 -7.029 670 H LEU 85 H LEU 85 9.469 -0.660 -4.974 671 HA LEU 85 HA LEU 85 11.161 0.737 -3.844 672 1HB LEU 85 2HB LEU 85 9.800 -1.219 -1.967 673 2HB LEU 85 1HB LEU 85 10.873 0.023 -1.341 674 HG LEU 85 HG LEU 85 9.333 1.536 -2.968 675 1HD1 LEU 85 1HD1 LEU 85 7.495 0.423 -3.642 676 2HD1 LEU 85 2HD1 LEU 85 7.004 0.298 -1.954 677 3HD1 LEU 85 3HD1 LEU 85 7.953 -0.988 -2.695 678 1HD2 LEU 85 1HD2 LEU 85 8.589 2.474 -1.011 679 2HD2 LEU 85 2HD2 LEU 85 9.798 1.398 -0.311 680 3HD2 LEU 85 3HD2 LEU 85 8.100 0.921 -0.331 681 H LYS 86 H LYS 86 11.894 -1.670 -5.217 682 HA LYS 86 HA LYS 86 13.793 -3.436 -4.088 683 1HB LYS 86 2HB LYS 86 12.559 -2.720 -6.513 684 2HB LYS 86 1HB LYS 86 14.233 -2.268 -6.794 685 1HG LYS 86 2HG LYS 86 14.991 -4.485 -6.581 686 2HG LYS 86 1HG LYS 86 13.543 -4.989 -5.699 687 1HD LYS 86 2HD LYS 86 12.169 -4.681 -7.702 688 2HD LYS 86 1HD LYS 86 13.562 -4.075 -8.595 689 1HE LYS 86 2HE LYS 86 14.573 -6.192 -8.718 690 2HE LYS 86 1HE LYS 86 13.682 -6.805 -7.310 691 1HZ LYS 86 1HZ LYS 86 11.624 -6.597 -8.574 692 2HZ LYS 86 2HZ LYS 86 12.710 -7.642 -9.360 693 3HZ LYS 86 3HZ LYS 86 12.490 -6.057 -9.929 694 H LYS 87 H LYS 87 13.711 -0.278 -5.344 695 HA LYS 87 HA LYS 87 16.491 0.443 -5.077 696 1HB LYS 87 2HB LYS 87 14.614 1.236 -6.665 697 2HB LYS 87 1HB LYS 87 13.956 2.102 -5.276 698 1HG LYS 87 2HG LYS 87 15.614 3.688 -5.307 699 2HG LYS 87 1HG LYS 87 16.853 2.528 -5.790 700 1HD LYS 87 2HD LYS 87 15.702 2.482 -8.080 701 2HD LYS 87 1HD LYS 87 14.818 3.912 -7.544 702 1HE LYS 87 2HE LYS 87 17.313 4.701 -6.888 703 2HE LYS 87 1HE LYS 87 17.699 3.630 -8.250 704 1HZ LYS 87 1HZ LYS 87 15.660 5.795 -8.266 705 2HZ LYS 87 2HZ LYS 87 15.993 4.746 -9.559 706 3HZ LYS 87 3HZ LYS 87 17.169 5.856 -9.039 707 H ALA 88 H ALA 88 13.462 0.550 -3.250 708 HA ALA 88 HA ALA 88 14.615 2.271 -1.142 709 1HB ALA 88 1HB ALA 88 12.224 0.901 -0.360 710 2HB ALA 88 2HB ALA 88 12.059 1.392 -2.045 711 3HB ALA 88 3HB ALA 88 12.410 2.592 -0.808 712 H ALA 89 H ALA 89 14.408 -1.078 -1.923 713 HA ALA 89 HA ALA 89 14.857 -2.003 0.810 714 1HB ALA 89 1HB ALA 89 13.742 -3.609 -0.421 715 2HB ALA 89 2HB ALA 89 15.388 -4.124 -0.782 716 3HB ALA 89 3HB ALA 89 14.508 -3.116 -1.928 717 H GLU 90 H GLU 90 16.767 -1.619 -2.156 718 HA GLU 90 HA GLU 90 19.264 -2.550 -1.120 719 1HB GLU 90 2HB GLU 90 18.227 -0.887 -3.341 720 2HB GLU 90 1HB GLU 90 19.889 -0.521 -2.876 721 1HG GLU 90 2HG GLU 90 20.678 -2.517 -3.636 722 2HG GLU 90 1HG GLU 90 19.264 -3.404 -3.066 723 H GLY 91 H GLY 91 17.457 0.454 -0.799 724 1HA GLY 91 2HA GLY 91 19.602 1.996 0.381 725 2HA GLY 91 1HA GLY 91 17.893 2.407 0.433 726 H LEU 92 H LEU 92 17.071 -0.158 1.779 727 HA LEU 92 HA LEU 92 17.741 0.692 4.520 728 1HB LEU 92 2HB LEU 92 15.922 -0.623 5.110 729 2HB LEU 92 1HB LEU 92 15.538 -0.308 3.430 730 HG LEU 92 HG LEU 92 17.073 -2.549 3.170 731 1HD1 LEU 92 1HD1 LEU 92 17.078 -3.849 5.026 732 2HD1 LEU 92 2HD1 LEU 92 15.374 -3.528 5.342 733 3HD1 LEU 92 3HD1 LEU 92 16.604 -2.404 5.918 734 1HD2 LEU 92 1HD2 LEU 92 14.446 -1.782 2.723 735 2HD2 LEU 92 2HD2 LEU 92 14.272 -3.177 3.786 736 3HD2 LEU 92 3HD2 LEU 92 15.148 -3.333 2.264 737 H LYS 93 H LYS 93 19.820 -0.626 2.622 738 HA LYS 93 HA LYS 93 21.605 -2.159 2.892 739 1HB LYS 93 2HB LYS 93 20.744 -1.228 5.558 740 2HB LYS 93 1HB LYS 93 21.562 -2.789 5.596 741 1HG LYS 93 2HG LYS 93 23.279 -1.136 5.812 742 2HG LYS 93 1HG LYS 93 23.378 -1.732 4.154 743 1HD LYS 93 2HD LYS 93 23.432 0.572 3.808 744 2HD LYS 93 1HD LYS 93 21.705 0.243 3.656 745 1HE LYS 93 2HE LYS 93 21.573 1.955 5.203 746 2HE LYS 93 1HE LYS 93 21.865 0.626 6.343 747 1HZ LYS 93 1HZ LYS 93 24.281 1.001 5.978 748 2HZ LYS 93 2HZ LYS 93 23.499 2.298 6.749 749 3HZ LYS 93 3HZ LYS 93 23.898 2.400 5.101 750 H TYR 94 H TYR 94 18.997 -3.019 2.185 751 HA TYR 94 HA TYR 94 17.700 -5.084 3.396 752 1HB TYR 94 2HB TYR 94 16.811 -5.002 1.329 753 2HB TYR 94 1HB TYR 94 18.216 -4.115 0.746 754 HD1 TYR 94 HD1 TYR 94 16.943 -7.516 1.470 755 HD2 TYR 94 HD2 TYR 94 19.793 -5.125 -0.660 756 HE1 TYR 94 HE1 TYR 94 17.697 -9.540 0.238 757 HE2 TYR 94 HE2 TYR 94 20.553 -7.141 -1.903 758 HH TYR 94 HH TYR 94 20.070 -10.155 -0.992 759 H GLU 95 H GLU 95 20.938 -5.271 1.964 760 HA GLU 95 HA GLU 95 21.270 -8.116 2.078 761 1HB GLU 95 2HB GLU 95 23.313 -5.894 2.384 762 2HB GLU 95 1HB GLU 95 23.652 -7.553 1.890 763 1HG GLU 95 2HG GLU 95 21.989 -7.144 -0.030 764 2HG GLU 95 1HG GLU 95 22.126 -5.432 0.375 765 H ASP 96 H ASP 96 22.090 -5.534 4.398 766 HA ASP 96 HA ASP 96 23.239 -7.107 6.457 767 1HB ASP 96 2HB ASP 96 21.534 -4.605 6.402 768 2HB ASP 96 1HB ASP 96 22.204 -5.230 7.909 769 H PHE 97 H PHE 97 19.871 -6.396 5.663 770 HA PHE 97 HA PHE 97 18.700 -7.855 7.890 771 1HB PHE 97 2HB PHE 97 17.899 -6.078 5.916 772 2HB PHE 97 1HB PHE 97 17.160 -7.589 5.390 773 HD1 PHE 97 HD1 PHE 97 16.409 -8.994 7.753 774 HD2 PHE 97 HD2 PHE 97 16.350 -4.759 7.040 775 HE1 PHE 97 HE1 PHE 97 14.636 -8.730 9.469 776 HE2 PHE 97 HE2 PHE 97 14.578 -4.494 8.756 777 HZ PHE 97 HZ PHE 97 13.722 -6.480 9.971 778 H ALA 98 H ALA 98 19.810 -8.615 4.655 779 HA ALA 98 HA ALA 98 18.545 -11.166 4.301 780 1HB ALA 98 1HB ALA 98 21.250 -10.364 3.230 781 2HB ALA 98 2HB ALA 98 19.788 -9.546 2.678 782 3HB ALA 98 3HB ALA 98 19.979 -11.281 2.420 783 H LYS 99 H LYS 99 21.963 -10.473 5.071 784 HA LYS 99 HA LYS 99 22.333 -13.197 6.136 785 1HB LYS 99 2HB LYS 99 24.149 -10.776 5.872 786 2HB LYS 99 1HB LYS 99 24.687 -12.394 6.322 787 1HG LYS 99 2HG LYS 99 24.254 -13.274 4.196 788 2HG LYS 99 1HG LYS 99 23.112 -11.992 3.792 789 1HD LYS 99 2HD LYS 99 25.921 -11.171 4.353 790 2HD LYS 99 1HD LYS 99 25.619 -12.014 2.833 791 1HE LYS 99 2HE LYS 99 23.770 -10.364 2.359 792 2HE LYS 99 1HE LYS 99 24.289 -9.458 3.793 793 1HZ LYS 99 1HZ LYS 99 25.992 -10.179 1.466 794 2HZ LYS 99 2HZ LYS 99 26.541 -9.398 2.871 795 3HZ LYS 99 3HZ LYS 99 25.429 -8.624 1.845 796 1H MET 1 1H MET 1 -5.994 6.536 -10.095 797 2H MET 1 2H MET 1 -4.502 5.727 -10.016 798 3H MET 1 3H MET 1 -4.997 6.462 -11.464 799 HA MET 1 HA MET 1 -4.622 8.608 -10.672 800 1HB MET 1 2HB MET 1 -5.135 7.154 -8.127 801 2HB MET 1 1HB MET 1 -4.087 8.569 -8.023 802 1HG MET 1 2HG MET 1 -5.767 10.030 -8.579 803 2HG MET 1 1HG MET 1 -6.561 8.872 -9.645 804 1HE MET 1 1HE MET 1 -5.649 8.306 -5.602 805 2HE MET 1 2HE MET 1 -6.833 9.552 -5.211 806 3HE MET 1 3HE MET 1 -5.528 9.909 -6.340 807 H ASN 2 H ASN 2 -2.517 9.276 -8.947 808 HA ASN 2 HA ASN 2 -0.306 7.439 -9.001 809 1HB ASN 2 2HB ASN 2 -0.820 7.923 -11.470 810 2HB ASN 2 1HB ASN 2 -0.262 9.564 -11.155 811 1HD2 ASN 2 1HD2 ASN 2 1.999 9.923 -11.081 812 2HD2 ASN 2 2HD2 ASN 2 3.152 8.688 -11.239 813 H LYS 3 H LYS 3 1.869 8.785 -8.840 814 HA LYS 3 HA LYS 3 1.942 10.374 -6.565 815 1HB LYS 3 2HB LYS 3 3.645 9.721 -8.792 816 2HB LYS 3 1HB LYS 3 3.857 11.429 -8.408 817 1HG LYS 3 2HG LYS 3 3.861 10.398 -5.904 818 2HG LYS 3 1HG LYS 3 4.526 9.031 -6.790 819 1HD LYS 3 2HD LYS 3 6.265 10.510 -7.766 820 2HD LYS 3 1HD LYS 3 5.599 11.870 -6.867 821 1HE LYS 3 2HE LYS 3 6.848 9.356 -5.668 822 2HE LYS 3 1HE LYS 3 7.485 11.010 -5.570 823 1HZ LYS 3 1HZ LYS 3 5.161 9.836 -4.233 824 2HZ LYS 3 2HZ LYS 3 5.049 11.460 -4.710 825 3HZ LYS 3 3HZ LYS 3 6.284 10.966 -3.656 826 H THR 4 H THR 4 0.830 11.338 -9.743 827 HA THR 4 HA THR 4 0.728 14.216 -8.908 828 HB THR 4 HB THR 4 0.490 12.717 -11.534 829 HG1 THR 4 HG1 THR 4 2.538 13.128 -11.390 830 1HG2 THR 4 1HG2 THR 4 -1.015 14.393 -12.020 831 2HG2 THR 4 2HG2 THR 4 0.482 15.264 -12.349 832 3HG2 THR 4 3HG2 THR 4 -0.348 15.488 -10.809 833 H GLU 5 H GLU 5 -1.294 11.587 -10.202 834 HA GLU 5 HA GLU 5 -3.779 13.001 -10.150 835 1HB GLU 5 2HB GLU 5 -2.753 10.347 -10.610 836 2HB GLU 5 1HB GLU 5 -4.195 10.246 -9.606 837 1HG GLU 5 2HG GLU 5 -5.570 11.057 -11.257 838 2HG GLU 5 1HG GLU 5 -4.316 12.099 -11.929 839 H LEU 6 H LEU 6 -2.214 10.877 -7.731 840 HA LEU 6 HA LEU 6 -4.249 11.232 -5.713 841 1HB LEU 6 2HB LEU 6 -1.376 10.342 -5.844 842 2HB LEU 6 1HB LEU 6 -2.124 10.588 -4.266 843 HG LEU 6 HG LEU 6 -3.746 9.046 -6.198 844 1HD1 LEU 6 1HD1 LEU 6 -2.188 7.030 -5.208 845 2HD1 LEU 6 2HD1 LEU 6 -0.980 8.284 -5.485 846 3HD1 LEU 6 3HD1 LEU 6 -1.994 7.727 -6.816 847 1HD2 LEU 6 1HD2 LEU 6 -4.664 9.090 -4.060 848 2HD2 LEU 6 2HD2 LEU 6 -3.086 9.070 -3.272 849 3HD2 LEU 6 3HD2 LEU 6 -3.738 7.592 -3.979 850 H ILE 7 H ILE 7 -1.449 13.109 -6.714 851 HA ILE 7 HA ILE 7 -1.136 14.786 -4.442 852 HB ILE 7 HB ILE 7 -0.483 14.754 -7.317 853 1HG1 ILE 7 2HG1 ILE 7 0.889 15.727 -4.808 854 2HG1 ILE 7 1HG1 ILE 7 1.148 14.189 -5.614 855 1HG2 ILE 7 1HG2 ILE 7 -1.095 17.332 -5.903 856 2HG2 ILE 7 2HG2 ILE 7 -1.457 16.867 -7.562 857 3HG2 ILE 7 3HG2 ILE 7 0.193 17.279 -7.103 858 1HD1 ILE 7 1HD1 ILE 7 1.888 16.944 -6.602 859 2HD1 ILE 7 2HD1 ILE 7 1.836 15.544 -7.674 860 3HD1 ILE 7 3HD1 ILE 7 2.958 15.572 -6.313 861 H LYS 8 H LYS 8 -2.978 15.440 -7.420 862 HA LYS 8 HA LYS 8 -4.426 17.668 -6.382 863 1HB LYS 8 2HB LYS 8 -5.908 17.225 -8.337 864 2HB LYS 8 1HB LYS 8 -4.203 17.148 -8.780 865 1HG LYS 8 2HG LYS 8 -4.212 14.780 -8.840 866 2HG LYS 8 1HG LYS 8 -5.744 14.685 -7.972 867 1HD LYS 8 2HD LYS 8 -6.878 15.760 -9.905 868 2HD LYS 8 1HD LYS 8 -5.344 15.752 -10.780 869 1HE LYS 8 2HE LYS 8 -5.414 13.482 -11.150 870 2HE LYS 8 1HE LYS 8 -6.224 13.153 -9.606 871 1HZ LYS 8 1HZ LYS 8 -7.448 14.418 -12.004 872 2HZ LYS 8 2HZ LYS 8 -8.222 14.237 -10.502 873 3HZ LYS 8 3HZ LYS 8 -7.788 12.866 -11.408 874 H ALA 9 H ALA 9 -4.849 14.179 -6.036 875 HA ALA 9 HA ALA 9 -7.596 14.107 -5.255 876 1HB ALA 9 1HB ALA 9 -5.758 12.277 -5.654 877 2HB ALA 9 2HB ALA 9 -7.019 11.968 -4.461 878 3HB ALA 9 3HB ALA 9 -5.420 12.493 -3.936 879 H ILE 10 H ILE 10 -4.621 14.894 -3.441 880 HA ILE 10 HA ILE 10 -6.195 15.419 -0.993 881 HB ILE 10 HB ILE 10 -3.433 14.818 -1.800 882 1HG1 ILE 10 2HG1 ILE 10 -3.281 14.065 0.551 883 2HG1 ILE 10 1HG1 ILE 10 -4.841 14.817 0.885 884 1HG2 ILE 10 1HG2 ILE 10 -3.913 17.177 0.027 885 2HG2 ILE 10 2HG2 ILE 10 -2.838 17.076 -1.367 886 3HG2 ILE 10 3HG2 ILE 10 -2.441 16.210 0.118 887 1HD1 ILE 10 1HD1 ILE 10 -4.266 12.248 -0.363 888 2HD1 ILE 10 2HD1 ILE 10 -5.305 13.243 -1.382 889 3HD1 ILE 10 3HD1 ILE 10 -5.792 12.864 0.270 890 H ALA 11 H ALA 11 -4.398 16.988 -3.587 891 HA ALA 11 HA ALA 11 -4.525 19.663 -2.541 892 1HB ALA 11 1HB ALA 11 -3.463 20.057 -4.530 893 2HB ALA 11 2HB ALA 11 -4.766 19.318 -5.459 894 3HB ALA 11 3HB ALA 11 -3.508 18.309 -4.746 895 H GLN 12 H GLN 12 -6.945 17.509 -3.646 896 HA GLN 12 HA GLN 12 -8.870 19.748 -4.069 897 1HB GLN 12 2HB GLN 12 -8.664 18.391 -6.043 898 2HB GLN 12 1HB GLN 12 -8.667 16.904 -5.098 899 1HG GLN 12 2HG GLN 12 -10.837 17.216 -6.192 900 2HG GLN 12 1HG GLN 12 -11.013 17.334 -4.442 901 1HE2 GLN 12 1HE2 GLN 12 -9.874 19.767 -6.851 902 2HE2 GLN 12 2HE2 GLN 12 -11.021 20.943 -6.425 903 H ASP 13 H ASP 13 -8.466 16.507 -2.573 904 HA ASP 13 HA ASP 13 -10.972 16.549 -1.120 905 1HB ASP 13 2HB ASP 13 -8.281 15.191 -0.769 906 2HB ASP 13 1HB ASP 13 -9.612 14.907 0.351 907 H THR 14 H THR 14 -7.755 17.757 -0.644 908 HA THR 14 HA THR 14 -8.389 18.936 2.006 909 HB THR 14 HB THR 14 -5.715 19.348 0.898 910 HG1 THR 14 HG1 THR 14 -5.469 16.866 1.087 911 1HG2 THR 14 1HG2 THR 14 -6.020 17.300 2.943 912 2HG2 THR 14 2HG2 THR 14 -6.899 18.771 3.343 913 3HG2 THR 14 3HG2 THR 14 -5.166 18.836 3.018 914 H GLY 15 H GLY 15 -6.530 20.020 -0.854 915 1HA GLY 15 2HA GLY 15 -6.528 22.049 -2.030 916 2HA GLY 15 1HA GLY 15 -8.261 22.073 -1.726 917 H LEU 16 H LEU 16 -6.138 22.056 0.986 918 HA LEU 16 HA LEU 16 -7.161 24.523 2.069 919 1HB LEU 16 2HB LEU 16 -4.649 22.924 2.640 920 2HB LEU 16 1HB LEU 16 -5.271 24.210 3.675 921 HG LEU 16 HG LEU 16 -7.493 22.720 3.401 922 1HD1 LEU 16 1HD1 LEU 16 -7.112 20.600 2.773 923 2HD1 LEU 16 2HD1 LEU 16 -5.758 20.454 3.882 924 3HD1 LEU 16 3HD1 LEU 16 -5.503 21.108 2.274 925 1HD2 LEU 16 1HD2 LEU 16 -6.966 21.839 5.636 926 2HD2 LEU 16 2HD2 LEU 16 -6.360 23.490 5.514 927 3HD2 LEU 16 3HD2 LEU 16 -5.251 22.131 5.366 928 H THR 17 H THR 17 -3.852 23.774 1.158 929 HA THR 17 HA THR 17 -3.559 26.475 -0.052 930 HB THR 17 HB THR 17 -2.691 25.685 2.448 931 HG1 THR 17 HG1 THR 17 -1.686 27.597 2.407 932 1HG2 THR 17 1HG2 THR 17 -0.433 25.252 0.481 933 2HG2 THR 17 2HG2 THR 17 -1.097 24.095 1.632 934 3HG2 THR 17 3HG2 THR 17 -0.202 25.494 2.206 935 H GLN 18 H GLN 18 -3.546 23.253 -0.595 936 HA GLN 18 HA GLN 18 -2.465 21.851 -2.149 937 1HB GLN 18 2HB GLN 18 -1.288 24.415 -3.268 938 2HB GLN 18 1HB GLN 18 -1.690 22.941 -4.145 939 1HG GLN 18 2HG GLN 18 -4.126 23.404 -3.367 940 2HG GLN 18 1HG GLN 18 -3.549 25.041 -3.048 941 1HE2 GLN 18 1HE2 GLN 18 -5.493 24.409 -5.120 942 2HE2 GLN 18 2HE2 GLN 18 -4.780 24.777 -6.617 943 H VAL 19 H VAL 19 -1.339 22.941 0.381 944 HA VAL 19 HA VAL 19 0.903 23.542 1.230 945 HB VAL 19 HB VAL 19 0.108 21.703 2.396 946 1HG1 VAL 19 1HG1 VAL 19 -1.272 20.617 0.865 947 2HG1 VAL 19 2HG1 VAL 19 -0.075 19.392 1.277 948 3HG1 VAL 19 3HG1 VAL 19 0.058 20.277 -0.242 949 1HG2 VAL 19 1HG2 VAL 19 2.173 20.990 2.925 950 2HG2 VAL 19 2HG2 VAL 19 2.749 21.118 1.267 951 3HG2 VAL 19 3HG2 VAL 19 1.880 19.681 1.786 952 H SER 20 H SER 20 1.930 20.680 -0.375 953 HA SER 20 HA SER 20 3.488 22.212 -2.336 954 1HB SER 20 2HB SER 20 5.481 21.496 -1.447 955 2HB SER 20 1HB SER 20 4.533 21.421 0.027 956 HG SER 20 HG SER 20 4.202 19.262 -0.317 957 H VAL 21 H VAL 21 1.058 20.383 -2.164 958 HA VAL 21 HA VAL 21 0.658 17.994 -2.793 959 HB VAL 21 HB VAL 21 -0.160 18.561 -5.122 960 1HG1 VAL 21 1HG1 VAL 21 -0.855 19.954 -2.590 961 2HG1 VAL 21 2HG1 VAL 21 -1.838 18.882 -3.588 962 3HG1 VAL 21 3HG1 VAL 21 -1.598 20.562 -4.069 963 1HG2 VAL 21 1HG2 VAL 21 -0.120 21.059 -5.604 964 2HG2 VAL 21 2HG2 VAL 21 1.413 20.221 -5.830 965 3HG2 VAL 21 3HG2 VAL 21 1.141 21.188 -4.380 966 H SER 22 H SER 22 2.919 19.776 -4.710 967 HA SER 22 HA SER 22 3.846 17.430 -6.215 968 1HB SER 22 2HB SER 22 4.659 20.313 -5.905 969 2HB SER 22 1HB SER 22 5.697 19.196 -6.787 970 HG SER 22 HG SER 22 2.938 19.668 -7.290 971 H LYS 23 H LYS 23 5.016 19.264 -3.410 972 HA LYS 23 HA LYS 23 7.342 17.467 -3.196 973 1HB LYS 23 2HB LYS 23 6.435 20.051 -2.042 974 2HB LYS 23 1HB LYS 23 7.584 19.105 -1.104 975 1HG LYS 23 2HG LYS 23 9.160 19.101 -2.923 976 2HG LYS 23 1HG LYS 23 7.974 19.805 -4.023 977 1HD LYS 23 2HD LYS 23 9.184 21.144 -1.584 978 2HD LYS 23 1HD LYS 23 9.497 21.558 -3.269 979 1HE LYS 23 2HE LYS 23 6.725 21.685 -3.121 980 2HE LYS 23 1HE LYS 23 7.243 22.347 -1.558 981 1HZ LYS 23 1HZ LYS 23 7.277 24.094 -3.197 982 2HZ LYS 23 2HZ LYS 23 8.239 23.160 -4.241 983 3HZ LYS 23 3HZ LYS 23 8.874 23.719 -2.767 984 H MET 24 H MET 24 4.156 17.923 -1.593 985 HA MET 24 HA MET 24 4.988 16.358 0.706 986 1HB MET 24 2HB MET 24 2.233 16.010 0.525 987 2HB MET 24 1HB MET 24 3.058 17.248 1.451 988 1HG MET 24 2HG MET 24 2.383 18.902 0.056 989 2HG MET 24 1HG MET 24 2.672 17.937 -1.392 990 1HE MET 24 1HE MET 24 0.258 16.107 -2.395 991 2HE MET 24 2HE MET 24 0.304 15.214 -0.876 992 3HE MET 24 3HE MET 24 1.793 15.861 -1.555 993 H LEU 25 H LEU 25 3.503 15.581 -2.477 994 HA LEU 25 HA LEU 25 3.345 12.737 -1.719 995 1HB LEU 25 2HB LEU 25 2.954 14.342 -4.248 996 2HB LEU 25 1HB LEU 25 2.902 12.582 -4.258 997 HG LEU 25 HG LEU 25 0.904 14.507 -3.310 998 1HD1 LEU 25 1HD1 LEU 25 0.917 12.405 -4.994 999 2HD1 LEU 25 2HD1 LEU 25 -0.544 12.939 -4.164 1000 3HD1 LEU 25 3HD1 LEU 25 0.385 11.583 -3.528 1001 1HD2 LEU 25 1HD2 LEU 25 0.108 13.121 -1.420 1002 2HD2 LEU 25 2HD2 LEU 25 1.714 13.771 -1.091 1003 3HD2 LEU 25 3HD2 LEU 25 1.528 12.087 -1.582 1004 H ALA 26 H ALA 26 5.337 14.708 -3.970 1005 HA ALA 26 HA ALA 26 7.163 12.741 -4.806 1006 1HB ALA 26 1HB ALA 26 7.130 15.046 -5.638 1007 2HB ALA 26 2HB ALA 26 8.737 14.680 -5.013 1008 3HB ALA 26 3HB ALA 26 7.618 15.647 -4.054 1009 H SER 27 H SER 27 6.959 14.491 -1.742 1010 HA SER 27 HA SER 27 9.450 13.335 -0.701 1011 1HB SER 27 2HB SER 27 8.861 14.583 1.291 1012 2HB SER 27 1HB SER 27 8.509 15.602 -0.100 1013 HG SER 27 HG SER 27 6.809 15.462 1.515 1014 H PHE 28 H PHE 28 5.968 12.766 -0.524 1015 HA PHE 28 HA PHE 28 5.870 10.876 1.601 1016 1HB PHE 28 2HB PHE 28 3.797 11.560 0.837 1017 2HB PHE 28 1HB PHE 28 4.327 11.613 -0.833 1018 HD1 PHE 28 HD1 PHE 28 4.476 9.465 -2.166 1019 HD2 PHE 28 HD2 PHE 28 2.748 9.624 1.764 1020 HE1 PHE 28 HE1 PHE 28 3.252 7.379 -2.616 1021 HE2 PHE 28 HE2 PHE 28 1.533 7.535 1.314 1022 HZ PHE 28 HZ PHE 28 1.781 6.394 -0.872 1023 H GLU 29 H GLU 29 6.293 10.280 -1.909 1024 HA GLU 29 HA GLU 29 6.885 7.497 -1.576 1025 1HB GLU 29 2HB GLU 29 6.311 8.475 -3.739 1026 2HB GLU 29 1HB GLU 29 7.695 9.568 -3.639 1027 1HG GLU 29 2HG GLU 29 8.569 6.866 -3.200 1028 2HG GLU 29 1HG GLU 29 7.648 6.956 -4.695 1029 H LYS 30 H LYS 30 8.754 10.492 -1.583 1030 HA LYS 30 HA LYS 30 11.372 9.387 -1.420 1031 1HB LYS 30 2HB LYS 30 10.512 11.827 -1.765 1032 2HB LYS 30 1HB LYS 30 10.487 11.897 -0.003 1033 1HG LYS 30 2HG LYS 30 12.862 11.275 0.072 1034 2HG LYS 30 1HG LYS 30 12.898 11.164 -1.688 1035 1HD LYS 30 2HD LYS 30 13.758 13.327 -1.187 1036 2HD LYS 30 1HD LYS 30 12.094 13.600 -1.704 1037 1HE LYS 30 2HE LYS 30 11.574 13.327 0.885 1038 2HE LYS 30 1HE LYS 30 13.275 13.807 1.046 1039 1HZ LYS 30 1HZ LYS 30 12.901 15.741 -0.242 1040 2HZ LYS 30 2HZ LYS 30 11.656 15.700 0.914 1041 3HZ LYS 30 3HZ LYS 30 11.345 15.239 -0.691 1042 H ILE 31 H ILE 31 8.783 9.641 0.919 1043 HA ILE 31 HA ILE 31 10.704 8.827 3.040 1044 HB ILE 31 HB ILE 31 8.589 9.213 4.460 1045 1HG1 ILE 31 2HG1 ILE 31 7.621 11.359 2.906 1046 2HG1 ILE 31 1HG1 ILE 31 7.561 9.899 1.933 1047 1HG2 ILE 31 1HG2 ILE 31 10.007 11.535 3.160 1048 2HG2 ILE 31 2HG2 ILE 31 10.647 10.579 4.496 1049 3HG2 ILE 31 3HG2 ILE 31 9.202 11.563 4.729 1050 1HD1 ILE 31 1HD1 ILE 31 6.047 8.869 3.287 1051 2HD1 ILE 31 2HD1 ILE 31 5.639 10.531 3.711 1052 3HD1 ILE 31 3HD1 ILE 31 6.717 9.595 4.747 1053 H ILE 32 H ILE 32 8.023 7.815 1.131 1054 HA ILE 32 HA ILE 32 7.374 5.433 2.628 1055 HB ILE 32 HB ILE 32 7.064 6.055 -0.324 1056 1HG1 ILE 32 2HG1 ILE 32 5.924 7.390 1.856 1057 2HG1 ILE 32 1HG1 ILE 32 5.304 7.401 0.208 1058 1HG2 ILE 32 1HG2 ILE 32 5.119 4.395 -0.017 1059 2HG2 ILE 32 2HG2 ILE 32 5.875 3.960 1.515 1060 3HG2 ILE 32 3HG2 ILE 32 6.745 3.713 0.001 1061 1HD1 ILE 32 1HD1 ILE 32 4.563 5.246 2.193 1062 2HD1 ILE 32 2HD1 ILE 32 3.764 5.646 0.672 1063 3HD1 ILE 32 3HD1 ILE 32 3.651 6.746 2.047 1064 H THR 33 H THR 33 9.228 6.002 -0.360 1065 HA THR 33 HA THR 33 10.342 3.349 -0.383 1066 HB THR 33 HB THR 33 12.077 4.830 -1.853 1067 HG1 THR 33 HG1 THR 33 10.903 6.532 -2.749 1068 1HG2 THR 33 1HG2 THR 33 10.922 3.107 -2.875 1069 2HG2 THR 33 2HG2 THR 33 10.302 4.542 -3.697 1070 3HG2 THR 33 3HG2 THR 33 9.349 3.769 -2.430 1071 H GLU 34 H GLU 34 11.574 6.560 0.468 1072 HA GLU 34 HA GLU 34 14.145 5.758 1.301 1073 1HB GLU 34 2HB GLU 34 12.266 7.981 2.113 1074 2HB GLU 34 1HB GLU 34 13.965 7.946 2.582 1075 1HG GLU 34 2HG GLU 34 12.982 7.802 -0.301 1076 2HG GLU 34 1HG GLU 34 13.589 9.273 0.466 1077 H THR 35 H THR 35 11.021 5.731 3.099 1078 HA THR 35 HA THR 35 12.293 5.018 5.632 1079 HB THR 35 HB THR 35 9.466 4.690 4.567 1080 HG1 THR 35 HG1 THR 35 9.314 6.687 5.162 1081 1HG2 THR 35 1HG2 THR 35 9.633 4.755 7.430 1082 2HG2 THR 35 2HG2 THR 35 10.694 3.480 6.834 1083 3HG2 THR 35 3HG2 THR 35 8.986 3.481 6.400 1084 H VAL 36 H VAL 36 10.821 3.189 2.934 1085 HA VAL 36 HA VAL 36 11.196 0.590 4.079 1086 HB VAL 36 HB VAL 36 11.311 1.627 1.234 1087 1HG1 VAL 36 1HG1 VAL 36 12.474 -0.402 1.061 1088 2HG1 VAL 36 2HG1 VAL 36 10.804 -0.902 0.787 1089 3HG1 VAL 36 3HG1 VAL 36 11.551 -1.147 2.365 1090 1HG2 VAL 36 1HG2 VAL 36 9.088 -0.025 1.661 1091 2HG2 VAL 36 2HG2 VAL 36 9.077 1.734 1.566 1092 3HG2 VAL 36 3HG2 VAL 36 9.213 0.937 3.133 1093 H ALA 37 H ALA 37 13.337 2.733 2.209 1094 HA ALA 37 HA ALA 37 15.618 0.928 2.473 1095 1HB ALA 37 1HB ALA 37 16.021 2.210 0.655 1096 2HB ALA 37 2HB ALA 37 16.614 3.397 1.815 1097 3HB ALA 37 3HB ALA 37 14.955 3.493 1.222 1098 H LYS 38 H LYS 38 13.997 2.669 4.746 1099 HA LYS 38 HA LYS 38 16.504 3.198 6.310 1100 1HB LYS 38 2HB LYS 38 14.161 4.813 5.699 1101 2HB LYS 38 1HB LYS 38 14.373 4.644 7.438 1102 1HG LYS 38 2HG LYS 38 16.305 5.853 7.454 1103 2HG LYS 38 1HG LYS 38 16.852 5.189 5.914 1104 1HD LYS 38 2HD LYS 38 14.463 6.898 5.689 1105 2HD LYS 38 1HD LYS 38 15.895 7.748 6.269 1106 1HE LYS 38 2HE LYS 38 16.910 6.192 4.204 1107 2HE LYS 38 1HE LYS 38 15.327 6.706 3.587 1108 1HZ LYS 38 1HZ LYS 38 17.341 8.497 4.841 1109 2HZ LYS 38 2HZ LYS 38 15.834 8.970 4.214 1110 3HZ LYS 38 3HZ LYS 38 17.044 8.385 3.175 1111 H GLY 39 H GLY 39 14.093 1.032 5.954 1112 1HA GLY 39 2HA GLY 39 13.870 -0.803 7.519 1113 2HA GLY 39 1HA GLY 39 14.178 0.330 8.835 1114 H ASP 40 H ASP 40 11.966 0.938 6.160 1115 HA ASP 40 HA ASP 40 9.850 1.962 7.633 1116 1HB ASP 40 2HB ASP 40 9.987 2.051 5.218 1117 2HB ASP 40 1HB ASP 40 9.836 0.303 5.104 1118 H LYS 41 H LYS 41 7.789 1.153 8.040 1119 HA LYS 41 HA LYS 41 6.925 -1.552 8.208 1120 1HB LYS 41 2HB LYS 41 8.726 -0.567 10.306 1121 2HB LYS 41 1HB LYS 41 7.156 -1.010 10.978 1122 1HG LYS 41 2HG LYS 41 7.306 -3.234 10.055 1123 2HG LYS 41 1HG LYS 41 8.749 -2.809 9.133 1124 1HD LYS 41 2HD LYS 41 9.560 -2.137 11.642 1125 2HD LYS 41 1HD LYS 41 8.472 -3.477 12.006 1126 1HE LYS 41 2HE LYS 41 9.692 -4.923 10.422 1127 2HE LYS 41 1HE LYS 41 10.781 -3.577 10.030 1128 1HZ LYS 41 1HZ LYS 41 10.340 -4.699 12.748 1129 2HZ LYS 41 2HZ LYS 41 11.383 -3.416 12.359 1130 3HZ LYS 41 3HZ LYS 41 11.708 -4.983 11.786 1131 H VAL 42 H VAL 42 5.781 0.563 7.206 1132 HA VAL 42 HA VAL 42 4.262 2.130 9.172 1133 HB VAL 42 HB VAL 42 5.310 3.153 7.215 1134 1HG1 VAL 42 1HG1 VAL 42 5.418 1.661 5.472 1135 2HG1 VAL 42 2HG1 VAL 42 3.965 2.532 4.980 1136 3HG1 VAL 42 3HG1 VAL 42 3.825 0.984 5.813 1137 1HG2 VAL 42 1HG2 VAL 42 2.307 3.126 7.370 1138 2HG2 VAL 42 2HG2 VAL 42 3.110 4.054 6.107 1139 3HG2 VAL 42 3HG2 VAL 42 3.431 4.413 7.802 1140 H GLN 43 H GLN 43 2.029 2.151 9.354 1141 HA GLN 43 HA GLN 43 0.503 -0.040 7.994 1142 1HB GLN 43 2HB GLN 43 0.028 0.819 10.848 1143 2HB GLN 43 1HB GLN 43 -0.380 -0.714 10.079 1144 1HG GLN 43 2HG GLN 43 2.260 -0.862 9.780 1145 2HG GLN 43 1HG GLN 43 2.241 0.223 11.170 1146 1HE2 GLN 43 1HE2 GLN 43 3.132 -2.612 11.164 1147 2HE2 GLN 43 2HE2 GLN 43 2.124 -3.427 12.260 1148 H LEU 44 H LEU 44 -0.537 1.467 6.583 1149 HA LEU 44 HA LEU 44 -1.537 4.021 7.321 1150 1HB LEU 44 2HB LEU 44 -2.109 1.970 5.200 1151 2HB LEU 44 1HB LEU 44 -3.121 3.410 5.303 1152 HG LEU 44 HG LEU 44 -0.102 3.560 5.248 1153 1HD1 LEU 44 1HD1 LEU 44 -0.521 2.616 3.140 1154 2HD1 LEU 44 2HD1 LEU 44 -0.611 4.340 2.803 1155 3HD1 LEU 44 3HD1 LEU 44 -2.092 3.402 2.990 1156 1HD2 LEU 44 1HD2 LEU 44 -0.854 5.877 4.305 1157 2HD2 LEU 44 2HD2 LEU 44 -0.979 5.582 6.038 1158 3HD2 LEU 44 3HD2 LEU 44 -2.411 5.465 5.019 1159 H THR 45 H THR 45 -2.752 4.102 9.199 1160 HA THR 45 HA THR 45 -4.436 3.525 10.771 1161 HB THR 45 HB THR 45 -5.689 5.086 9.622 1162 HG1 THR 45 HG1 THR 45 -7.114 3.485 10.396 1163 1HG2 THR 45 1HG2 THR 45 -4.624 4.719 7.430 1164 2HG2 THR 45 2HG2 THR 45 -6.370 4.887 7.253 1165 3HG2 THR 45 3HG2 THR 45 -5.625 3.293 7.177 1166 H GLY 46 H GLY 46 -6.309 1.978 8.245 1167 1HA GLY 46 2HA GLY 46 -5.540 -0.707 9.202 1168 2HA GLY 46 1HA GLY 46 -7.223 -0.225 9.436 1169 H PHE 47 H PHE 47 -5.216 0.698 6.653 1170 HA PHE 47 HA PHE 47 -6.821 -1.169 4.988 1171 1HB PHE 47 2HB PHE 47 -7.674 0.525 3.654 1172 2HB PHE 47 1HB PHE 47 -7.658 1.291 5.237 1173 HD1 PHE 47 HD1 PHE 47 -5.666 0.916 2.108 1174 HD2 PHE 47 HD2 PHE 47 -6.471 3.270 5.591 1175 HE1 PHE 47 HE1 PHE 47 -4.216 2.705 1.236 1176 HE2 PHE 47 HE2 PHE 47 -5.012 5.066 4.722 1177 HZ PHE 47 HZ PHE 47 -3.878 4.777 2.546 1178 H LEU 48 H LEU 48 -3.773 0.574 5.395 1179 HA LEU 48 HA LEU 48 -2.732 -1.180 3.224 1180 1HB LEU 48 2HB LEU 48 -2.804 1.743 3.376 1181 2HB LEU 48 1HB LEU 48 -1.225 1.084 2.964 1182 HG LEU 48 HG LEU 48 -3.830 0.745 1.480 1183 1HD1 LEU 48 1HD1 LEU 48 -2.008 2.612 1.142 1184 2HD1 LEU 48 2HD1 LEU 48 -2.757 1.835 -0.253 1185 3HD1 LEU 48 3HD1 LEU 48 -1.155 1.328 0.285 1186 1HD2 LEU 48 1HD2 LEU 48 -3.224 -1.402 1.067 1187 2HD2 LEU 48 2HD2 LEU 48 -1.599 -1.159 1.708 1188 3HD2 LEU 48 3HD2 LEU 48 -1.969 -0.703 0.047 1189 H ASN 49 H ASN 49 -1.304 -2.505 4.209 1190 HA ASN 49 HA ASN 49 0.469 -1.359 6.342 1191 1HB ASN 49 2HB ASN 49 -0.693 -4.096 5.792 1192 2HB ASN 49 1HB ASN 49 0.636 -3.865 6.930 1193 1HD2 ASN 49 1HD2 ASN 49 0.147 -2.952 8.988 1194 2HD2 ASN 49 2HD2 ASN 49 -1.423 -2.514 9.461 1195 H ILE 50 H ILE 50 2.195 -0.670 4.985 1196 HA ILE 50 HA ILE 50 3.366 -2.524 3.001 1197 HB ILE 50 HB ILE 50 4.017 0.268 4.007 1198 1HG1 ILE 50 2HG1 ILE 50 2.851 1.105 2.235 1199 2HG1 ILE 50 1HG1 ILE 50 3.391 -0.164 1.150 1200 1HG2 ILE 50 1HG2 ILE 50 5.337 -0.172 1.562 1201 2HG2 ILE 50 2HG2 ILE 50 5.680 -1.594 2.547 1202 3HG2 ILE 50 3HG2 ILE 50 6.075 0.014 3.152 1203 1HD1 ILE 50 1HD1 ILE 50 1.743 -1.716 2.250 1204 2HD1 ILE 50 2HD1 ILE 50 0.993 -0.354 1.421 1205 3HD1 ILE 50 3HD1 ILE 50 1.145 -0.339 3.176 1206 H LYS 51 H LYS 51 5.306 -3.719 3.365 1207 HA LYS 51 HA LYS 51 6.962 -3.031 5.734 1208 1HB LYS 51 2HB LYS 51 6.581 -5.420 6.628 1209 2HB LYS 51 1HB LYS 51 5.271 -4.263 6.854 1210 1HG LYS 51 2HG LYS 51 3.896 -5.314 5.343 1211 2HG LYS 51 1HG LYS 51 5.239 -5.844 4.331 1212 1HD LYS 51 2HD LYS 51 4.780 -6.997 7.084 1213 2HD LYS 51 1HD LYS 51 3.992 -7.667 5.655 1214 1HE LYS 51 2HE LYS 51 6.048 -8.319 4.679 1215 2HE LYS 51 1HE LYS 51 6.987 -7.243 5.734 1216 1HZ LYS 51 1HZ LYS 51 6.440 -8.542 7.620 1217 2HZ LYS 51 2HZ LYS 51 6.960 -9.638 6.431 1218 3HZ LYS 51 3HZ LYS 51 5.303 -9.460 6.760 1219 HA PRO 52 HA PRO 52 9.634 -4.825 2.549 1220 1HB PRO 52 2HB PRO 52 11.976 -3.957 3.651 1221 2HB PRO 52 1HB PRO 52 10.929 -2.923 2.657 1222 1HG PRO 52 2HG PRO 52 11.157 -3.089 5.625 1223 2HG PRO 52 1HG PRO 52 11.011 -1.662 4.585 1224 1HD PRO 52 2HD PRO 52 8.914 -2.670 5.955 1225 2HD PRO 52 1HD PRO 52 8.730 -1.881 4.372 1226 H VAL 53 H VAL 53 10.801 -6.706 2.500 1227 HA VAL 53 HA VAL 53 11.682 -7.937 5.055 1228 HB VAL 53 HB VAL 53 10.480 -9.997 4.445 1229 1HG1 VAL 53 1HG1 VAL 53 9.411 -8.101 5.787 1230 2HG1 VAL 53 2HG1 VAL 53 8.278 -9.207 5.010 1231 3HG1 VAL 53 3HG1 VAL 53 8.596 -7.626 4.297 1232 1HG2 VAL 53 1HG2 VAL 53 10.128 -8.477 1.951 1233 2HG2 VAL 53 2HG2 VAL 53 8.634 -9.211 2.529 1234 3HG2 VAL 53 3HG2 VAL 53 10.049 -10.217 2.217 1235 H ALA 54 H ALA 54 13.768 -8.439 4.728 1236 HA ALA 54 HA ALA 54 15.257 -8.435 2.394 1237 1HB ALA 54 1HB ALA 54 15.710 -8.950 5.017 1238 2HB ALA 54 2HB ALA 54 16.920 -9.173 3.753 1239 3HB ALA 54 3HB ALA 54 15.977 -10.550 4.324 1240 H ARG 55 H ARG 55 15.840 -9.888 0.813 1241 HA ARG 55 HA ARG 55 15.120 -12.696 0.799 1242 1HB ARG 55 2HB ARG 55 13.035 -10.972 0.321 1243 2HB ARG 55 1HB ARG 55 13.624 -11.262 -1.317 1244 1HG ARG 55 2HG ARG 55 12.809 -13.368 -1.334 1245 2HG ARG 55 1HG ARG 55 13.509 -13.726 0.245 1246 1HD ARG 55 2HD ARG 55 11.014 -12.029 -0.035 1247 2HD ARG 55 1HD ARG 55 10.943 -13.796 0.123 1248 HE ARG 55 HE ARG 55 12.085 -11.945 2.168 1249 1HH1 ARG 55 1HH1 ARG 55 12.479 -15.118 1.284 1250 2HH1 ARG 55 2HH1 ARG 55 11.911 -15.806 2.769 1251 1HH2 ARG 55 1HH2 ARG 55 10.733 -12.796 4.024 1252 2HH2 ARG 55 2HH2 ARG 55 10.923 -14.491 4.319 1253 H GLN 56 H GLN 56 17.285 -12.957 0.047 1254 HA GLN 56 HA GLN 56 18.570 -11.429 -1.965 1255 1HB GLN 56 2HB GLN 56 18.883 -14.350 -1.234 1256 2HB GLN 56 1HB GLN 56 20.079 -13.376 -2.088 1257 1HG GLN 56 2HG GLN 56 20.715 -12.252 -0.198 1258 2HG GLN 56 1HG GLN 56 19.086 -12.253 0.475 1259 1HE2 GLN 56 1HE2 GLN 56 22.138 -13.625 0.875 1260 2HE2 GLN 56 2HE2 GLN 56 21.689 -15.002 1.760 1261 H ALA 57 H ALA 57 19.426 -13.162 -3.936 1262 HA ALA 57 HA ALA 57 17.042 -13.279 -5.682 1263 1HB ALA 57 1HB ALA 57 19.907 -13.937 -6.374 1264 2HB ALA 57 2HB ALA 57 19.369 -12.270 -6.177 1265 3HB ALA 57 3HB ALA 57 18.650 -13.286 -7.425 1266 H ARG 58 H ARG 58 16.826 -15.202 -7.136 1267 HA ARG 58 HA ARG 58 17.910 -17.777 -6.185 1268 1HB ARG 58 2HB ARG 58 15.050 -16.846 -5.869 1269 2HB ARG 58 1HB ARG 58 15.447 -18.562 -5.945 1270 1HG ARG 58 2HG ARG 58 17.117 -18.136 -4.072 1271 2HG ARG 58 1HG ARG 58 16.388 -16.540 -3.902 1272 1HD ARG 58 2HD ARG 58 14.137 -17.725 -3.655 1273 2HD ARG 58 1HD ARG 58 15.062 -19.231 -3.485 1274 HE ARG 58 HE ARG 58 15.753 -18.489 -1.350 1275 1HH1 ARG 58 1HH2 ARG 58 13.303 -16.539 -1.839 1276 2HH1 ARG 58 2HH2 ARG 58 13.995 -15.077 -1.219 1277 1HH2 ARG 58 1HH1 ARG 58 17.233 -16.316 -1.168 1278 2HH2 ARG 58 2HH1 ARG 58 16.219 -14.951 -0.839 1279 H LYS 59 H LYS 59 17.850 -19.298 -7.885 1280 HA LYS 59 HA LYS 59 16.002 -19.088 -10.119 1281 1HB LYS 59 2HB LYS 59 17.779 -18.434 -11.774 1282 2HB LYS 59 1HB LYS 59 17.410 -17.163 -10.609 1283 1HG LYS 59 2HG LYS 59 19.424 -17.409 -9.490 1284 2HG LYS 59 1HG LYS 59 19.591 -19.104 -9.946 1285 1HD LYS 59 2HD LYS 59 20.425 -18.597 -12.059 1286 2HD LYS 59 1HD LYS 59 19.662 -17.007 -12.090 1287 1HE LYS 59 2HE LYS 59 21.298 -16.592 -10.007 1288 2HE LYS 59 1HE LYS 59 22.248 -17.836 -10.845 1289 1HZ LYS 59 1HZ LYS 59 22.074 -16.593 -12.884 1290 2HZ LYS 59 2HZ LYS 59 22.717 -15.582 -11.679 1291 3HZ LYS 59 3HZ LYS 59 21.090 -15.427 -12.144 1292 H GLY 60 H GLY 60 16.194 -21.351 -8.909 1293 1HA GLY 60 2HA GLY 60 16.923 -23.364 -10.577 1294 2HA GLY 60 1HA GLY 60 18.470 -22.978 -9.824 1295 H PHE 61 H PHE 61 17.260 -22.247 -7.247 1296 HA PHE 61 HA PHE 61 15.741 -24.503 -6.228 1297 1HB PHE 61 2HB PHE 61 18.657 -24.637 -6.486 1298 2HB PHE 61 1HB PHE 61 18.125 -24.907 -4.828 1299 HD1 PHE 61 HD1 PHE 61 15.829 -26.411 -4.758 1300 HD2 PHE 61 HD2 PHE 61 18.881 -26.550 -7.776 1301 HE1 PHE 61 HE1 PHE 61 15.141 -28.716 -5.349 1302 HE2 PHE 61 HE2 PHE 61 18.191 -28.857 -8.368 1303 HZ PHE 61 HZ PHE 61 16.320 -29.941 -7.155 1304 H ASN 62 H ASN 62 16.608 -24.521 -3.588 1305 HA ASN 62 HA ASN 62 17.159 -21.894 -2.547 1306 1HB ASN 62 2HB ASN 62 14.979 -21.374 -3.375 1307 2HB ASN 62 1HB ASN 62 14.292 -22.846 -2.708 1308 1HD2 ASN 62 1HD2 ASN 62 16.587 -20.714 -0.980 1309 2HD2 ASN 62 2HD2 ASN 62 15.490 -20.225 0.218 1310 HA PRO 63 HA PRO 63 16.488 -24.578 1.213 1311 1HB PRO 63 2HB PRO 63 14.533 -26.468 1.342 1312 2HB PRO 63 1HB PRO 63 14.210 -24.753 1.667 1313 1HG PRO 63 2HG PRO 63 13.623 -26.364 -0.752 1314 2HG PRO 63 1HG PRO 63 12.704 -25.039 -0.024 1315 1HD PRO 63 2HD PRO 63 14.331 -24.798 -2.247 1316 2HD PRO 63 1HD PRO 63 13.825 -23.468 -1.187 1317 H GLN 64 H GLN 64 16.775 -25.825 -1.869 1318 HA GLN 64 HA GLN 64 17.925 -27.675 -2.762 1319 1HB GLN 64 2HB GLN 64 19.442 -26.904 -0.836 1320 2HB GLN 64 1HB GLN 64 18.734 -28.218 0.103 1321 1HG GLN 64 2HG GLN 64 19.375 -29.747 -1.860 1322 2HG GLN 64 1HG GLN 64 20.375 -28.409 -2.425 1323 1HE2 GLN 64 1HE2 GLN 64 22.373 -28.042 -1.355 1324 2HE2 GLN 64 2HE2 GLN 64 22.908 -28.958 -0.030 1325 H THR 65 H THR 65 15.172 -27.796 -1.358 1326 HA THR 65 HA THR 65 15.023 -30.783 -1.146 1327 HB THR 65 HB THR 65 13.189 -30.330 0.496 1328 HG1 THR 65 HG1 THR 65 13.135 -28.107 1.255 1329 1HG2 THR 65 1HG2 THR 65 16.005 -29.450 0.872 1330 2HG2 THR 65 2HG2 THR 65 15.095 -30.705 1.713 1331 3HG2 THR 65 3HG2 THR 65 14.862 -29.010 2.140 1332 H GLN 66 H GLN 66 14.772 -29.426 -3.592 1333 HA GLN 66 HA GLN 66 13.352 -29.393 -5.469 1334 1HB GLN 66 2HB GLN 66 11.313 -30.669 -3.627 1335 2HB GLN 66 1HB GLN 66 11.415 -30.811 -5.379 1336 1HG GLN 66 2HG GLN 66 13.385 -31.917 -3.354 1337 2HG GLN 66 1HG GLN 66 12.307 -32.844 -4.395 1338 1HE2 GLN 66 1HE2 GLN 66 15.377 -31.182 -4.256 1339 2HE2 GLN 66 2HE2 GLN 66 15.848 -31.497 -5.854 1340 H GLU 67 H GLU 67 13.502 -26.957 -4.305 1341 HA GLU 67 HA GLU 67 10.694 -25.971 -4.492 1342 1HB GLU 67 2HB GLU 67 12.235 -26.215 -2.122 1343 2HB GLU 67 1HB GLU 67 12.212 -24.497 -2.516 1344 1HG GLU 67 2HG GLU 67 9.620 -25.073 -2.970 1345 2HG GLU 67 1HG GLU 67 9.970 -26.292 -1.743 1346 H ALA 68 H ALA 68 11.997 -25.671 -6.661 1347 HA ALA 68 HA ALA 68 14.013 -23.677 -6.932 1348 1HB ALA 68 1HB ALA 68 12.000 -25.094 -8.592 1349 2HB ALA 68 2HB ALA 68 13.738 -24.926 -8.837 1350 3HB ALA 68 3HB ALA 68 12.652 -23.607 -9.278 1351 H LEU 69 H LEU 69 13.868 -21.493 -6.644 1352 HA LEU 69 HA LEU 69 11.144 -20.226 -6.753 1353 1HB LEU 69 2HB LEU 69 13.639 -19.593 -5.146 1354 2HB LEU 69 1HB LEU 69 12.197 -18.577 -5.158 1355 HG LEU 69 HG LEU 69 12.291 -21.491 -4.324 1356 1HD1 LEU 69 1HD1 LEU 69 11.834 -18.985 -2.676 1357 2HD1 LEU 69 2HD1 LEU 69 13.348 -19.885 -2.725 1358 3HD1 LEU 69 3HD1 LEU 69 11.894 -20.641 -2.072 1359 1HD2 LEU 69 1HD2 LEU 69 10.066 -19.458 -4.565 1360 2HD2 LEU 69 2HD2 LEU 69 9.932 -20.845 -3.485 1361 3HD2 LEU 69 3HD2 LEU 69 10.126 -21.094 -5.221 1362 H GLU 70 H GLU 70 11.449 -17.723 -7.200 1363 HA GLU 70 HA GLU 70 13.679 -17.116 -9.051 1364 1HB GLU 70 2HB GLU 70 11.483 -18.351 -10.049 1365 2HB GLU 70 1HB GLU 70 10.956 -16.670 -10.161 1366 1HG GLU 70 2HG GLU 70 13.325 -16.271 -11.204 1367 2HG GLU 70 1HG GLU 70 13.293 -18.011 -11.498 1368 H ILE 71 H ILE 71 13.813 -15.600 -7.066 1369 HA ILE 71 HA ILE 71 12.037 -13.221 -7.449 1370 HB ILE 71 HB ILE 71 12.831 -12.846 -4.984 1371 1HG1 ILE 71 2HG1 ILE 71 13.288 -14.930 -3.759 1372 2HG1 ILE 71 1HG1 ILE 71 13.295 -15.824 -5.278 1373 1HG2 ILE 71 1HG2 ILE 71 10.785 -14.720 -6.062 1374 2HG2 ILE 71 2HG2 ILE 71 10.570 -13.237 -5.131 1375 3HG2 ILE 71 3HG2 ILE 71 11.056 -14.726 -4.319 1376 1HD1 ILE 71 1HD1 ILE 71 15.075 -13.435 -5.022 1377 2HD1 ILE 71 2HD1 ILE 71 15.302 -14.902 -5.968 1378 3HD1 ILE 71 3HD1 ILE 71 15.558 -14.930 -4.225 1379 H ALA 72 H ALA 72 13.649 -11.466 -5.895 1380 HA ALA 72 HA ALA 72 16.136 -11.338 -7.544 1381 1HB ALA 72 1HB ALA 72 14.072 -9.275 -6.768 1382 2HB ALA 72 2HB ALA 72 14.576 -9.754 -8.389 1383 3HB ALA 72 3HB ALA 72 15.666 -8.816 -7.367 1384 HA PRO 73 HA PRO 73 18.342 -10.772 -3.773 1385 1HB PRO 73 2HB PRO 73 20.418 -9.233 -4.674 1386 2HB PRO 73 1HB PRO 73 20.268 -10.962 -5.042 1387 1HG PRO 73 2HG PRO 73 19.637 -8.603 -6.738 1388 2HG PRO 73 1HG PRO 73 20.340 -10.163 -7.189 1389 1HD PRO 73 2HD PRO 73 17.715 -9.494 -7.608 1390 2HD PRO 73 1HD PRO 73 18.292 -11.162 -7.419 1391 H SER 74 H SER 74 16.570 -9.378 -2.876 1392 HA SER 74 HA SER 74 17.521 -6.804 -1.990 1393 1HB SER 74 2HB SER 74 15.669 -5.537 -3.258 1394 2HB SER 74 1HB SER 74 17.061 -6.050 -4.207 1395 HG SER 74 HG SER 74 14.446 -7.068 -4.129 1396 H VAL 75 H VAL 75 16.014 -5.874 -0.425 1397 HA VAL 75 HA VAL 75 14.487 -7.698 1.077 1398 HB VAL 75 HB VAL 75 15.042 -4.853 0.981 1399 1HG1 VAL 75 1HG1 VAL 75 12.553 -4.747 0.527 1400 2HG1 VAL 75 2HG1 VAL 75 13.059 -3.962 2.021 1401 3HG1 VAL 75 3HG1 VAL 75 12.309 -5.555 2.075 1402 1HG2 VAL 75 1HG2 VAL 75 15.706 -6.586 2.706 1403 2HG2 VAL 75 2HG2 VAL 75 14.043 -6.522 3.289 1404 3HG2 VAL 75 3HG2 VAL 75 15.057 -5.085 3.362 1405 H GLY 76 H GLY 76 12.027 -7.501 1.409 1406 1HA GLY 76 2HA GLY 76 10.729 -7.372 -1.284 1407 2HA GLY 76 1HA GLY 76 10.244 -8.504 -0.021 1408 H VAL 77 H VAL 77 10.215 -5.144 -1.002 1409 HA VAL 77 HA VAL 77 8.880 -4.005 1.245 1410 HB VAL 77 HB VAL 77 9.939 -2.685 -0.502 1411 1HG1 VAL 77 1HG1 VAL 77 9.850 -3.702 -2.542 1412 2HG1 VAL 77 2HG1 VAL 77 8.401 -2.725 -2.753 1413 3HG1 VAL 77 3HG1 VAL 77 8.262 -4.403 -2.238 1414 1HG2 VAL 77 1HG2 VAL 77 8.402 -0.997 -0.495 1415 2HG2 VAL 77 2HG2 VAL 77 7.492 -2.089 0.547 1416 3HG2 VAL 77 3HG2 VAL 77 7.134 -2.014 -1.178 1417 H SER 78 H SER 78 7.380 -5.856 1.721 1418 HA SER 78 HA SER 78 5.231 -6.529 -0.074 1419 1HB SER 78 2HB SER 78 5.657 -8.093 1.596 1420 2HB SER 78 1HB SER 78 5.897 -6.863 2.830 1421 HG SER 78 HG SER 78 3.728 -6.598 2.991 1422 H VAL 79 H VAL 79 2.914 -6.197 0.819 1423 HA VAL 79 HA VAL 79 2.146 -3.744 2.156 1424 HB VAL 79 HB VAL 79 2.263 -3.955 -0.876 1425 1HG1 VAL 79 1HG1 VAL 79 0.898 -1.826 -0.917 1426 2HG1 VAL 79 2HG1 VAL 79 0.480 -2.152 0.763 1427 3HG1 VAL 79 3HG1 VAL 79 -0.001 -3.284 -0.498 1428 1HG2 VAL 79 1HG2 VAL 79 4.109 -2.723 -0.319 1429 2HG2 VAL 79 2HG2 VAL 79 3.412 -2.177 1.205 1430 3HG2 VAL 79 3HG2 VAL 79 2.930 -1.414 -0.308 1431 H LYS 80 H LYS 80 -0.398 -3.492 1.686 1432 HA LYS 80 HA LYS 80 -1.869 -5.574 0.433 1433 1HB LYS 80 2HB LYS 80 -2.563 -6.823 2.485 1434 2HB LYS 80 1HB LYS 80 -0.836 -6.969 2.177 1435 1HG LYS 80 2HG LYS 80 -0.704 -4.826 3.732 1436 2HG LYS 80 1HG LYS 80 -2.255 -5.428 4.318 1437 1HD LYS 80 2HD LYS 80 -0.763 -7.730 4.269 1438 2HD LYS 80 1HD LYS 80 0.454 -6.530 4.703 1439 1HE LYS 80 2HE LYS 80 -0.375 -6.377 6.806 1440 2HE LYS 80 1HE LYS 80 -2.008 -6.065 6.184 1441 1HZ LYS 80 1HZ LYS 80 -0.683 -8.702 6.514 1442 2HZ LYS 80 2HZ LYS 80 -2.130 -8.482 5.650 1443 3HZ LYS 80 3HZ LYS 80 -2.070 -8.144 7.315 1444 HA PRO 81 HA PRO 81 -5.111 -2.865 1.802 1445 1HB PRO 81 2HB PRO 81 -7.256 -4.467 1.286 1446 2HB PRO 81 1HB PRO 81 -6.247 -3.774 0.003 1447 1HG PRO 81 2HG PRO 81 -6.450 -6.539 0.901 1448 2HG PRO 81 1HG PRO 81 -5.762 -5.889 -0.591 1449 1HD PRO 81 2HD PRO 81 -4.383 -6.733 1.810 1450 2HD PRO 81 1HD PRO 81 -3.697 -6.228 0.251 1451 H GLY 82 H GLY 82 -6.336 -2.404 3.642 1452 1HA GLY 82 2HA GLY 82 -6.510 -4.553 5.711 1453 2HA GLY 82 1HA GLY 82 -6.454 -2.827 6.069 1454 H GLU 83 H GLU 83 -8.433 -4.520 3.651 1455 HA GLU 83 HA GLU 83 -10.769 -4.747 3.440 1456 1HB GLU 83 2HB GLU 83 -10.598 -5.558 5.779 1457 2HB GLU 83 1HB GLU 83 -10.761 -3.898 6.347 1458 1HG GLU 83 2HG GLU 83 -12.980 -4.311 6.383 1459 2HG GLU 83 1HG GLU 83 -12.896 -4.125 4.631 1460 H SER 84 H SER 84 -9.748 -1.809 5.186 1461 HA SER 84 HA SER 84 -11.956 -0.154 4.803 1462 1HB SER 84 2HB SER 84 -9.257 0.069 5.524 1463 2HB SER 84 1HB SER 84 -9.459 1.201 4.190 1464 HG SER 84 HG SER 84 -10.136 1.585 6.662 1465 H LEU 85 H LEU 85 -9.533 -1.146 2.424 1466 HA LEU 85 HA LEU 85 -10.597 0.644 0.339 1467 1HB LEU 85 2HB LEU 85 -8.765 -1.744 0.004 1468 2HB LEU 85 1HB LEU 85 -8.858 -0.303 -1.003 1469 HG LEU 85 HG LEU 85 -8.309 0.602 1.624 1470 1HD1 LEU 85 1HD1 LEU 85 -5.934 -0.885 1.312 1471 2HD1 LEU 85 2HD1 LEU 85 -7.249 -2.049 1.154 1472 3HD1 LEU 85 3HD1 LEU 85 -7.129 -1.044 2.597 1473 1HD2 LEU 85 1HD2 LEU 85 -7.500 1.131 -0.932 1474 2HD2 LEU 85 2HD2 LEU 85 -6.057 0.355 -0.282 1475 3HD2 LEU 85 3HD2 LEU 85 -6.714 1.791 0.501 1476 H LYS 86 H LYS 86 -10.939 -2.687 1.415 1477 HA LYS 86 HA LYS 86 -12.439 -3.523 -0.957 1478 1HB LYS 86 2HB LYS 86 -11.087 -4.691 1.268 1479 2HB LYS 86 1HB LYS 86 -12.758 -5.252 1.315 1480 1HG LYS 86 2HG LYS 86 -12.610 -6.286 -0.777 1481 2HG LYS 86 1HG LYS 86 -11.244 -5.291 -1.283 1482 1HD LYS 86 2HD LYS 86 -9.795 -6.433 0.351 1483 2HD LYS 86 1HD LYS 86 -11.158 -7.422 0.874 1484 1HE LYS 86 2HE LYS 86 -10.456 -7.388 -2.047 1485 2HE LYS 86 1HE LYS 86 -9.480 -8.372 -0.938 1486 1HZ LYS 86 1HZ LYS 86 -12.448 -8.409 -1.005 1487 2HZ LYS 86 2HZ LYS 86 -11.429 -9.443 -0.123 1488 3HZ LYS 86 3HZ LYS 86 -11.480 -9.538 -1.819 1489 H LYS 87 H LYS 87 -13.117 -2.633 2.372 1490 HA LYS 87 HA LYS 87 -15.952 -3.133 2.256 1491 1HB LYS 87 2HB LYS 87 -14.697 -3.014 4.361 1492 2HB LYS 87 1HB LYS 87 -14.182 -1.369 3.993 1493 1HG LYS 87 2HG LYS 87 -16.678 -0.768 3.914 1494 2HG LYS 87 1HG LYS 87 -16.968 -2.338 4.661 1495 1HD LYS 87 2HD LYS 87 -14.839 -0.824 5.993 1496 2HD LYS 87 1HD LYS 87 -16.395 0.006 6.025 1497 1HE LYS 87 2HE LYS 87 -16.203 -1.470 7.987 1498 2HE LYS 87 1HE LYS 87 -17.447 -2.107 6.892 1499 1HZ LYS 87 1HZ LYS 87 -15.895 -3.612 5.942 1500 2HZ LYS 87 2HZ LYS 87 -15.770 -3.786 7.627 1501 3HZ LYS 87 3HZ LYS 87 -14.592 -2.910 6.772 1502 H ALA 88 H ALA 88 -13.808 -0.411 1.606 1503 HA ALA 88 HA ALA 88 -15.938 1.493 1.067 1504 1HB ALA 88 1HB ALA 88 -13.728 2.243 1.697 1505 2HB ALA 88 2HB ALA 88 -13.968 2.715 0.015 1506 3HB ALA 88 3HB ALA 88 -12.985 1.302 0.404 1507 H ALA 89 H ALA 89 -14.125 -0.955 -0.688 1508 HA ALA 89 HA ALA 89 -14.911 -0.167 -3.353 1509 1HB ALA 89 1HB ALA 89 -14.344 -2.854 -3.445 1510 2HB ALA 89 2HB ALA 89 -13.509 -2.349 -1.977 1511 3HB ALA 89 3HB ALA 89 -13.131 -1.577 -3.516 1512 H GLU 90 H GLU 90 -16.093 -2.790 -1.231 1513 HA GLU 90 HA GLU 90 -18.228 -3.659 -2.872 1514 1HB GLU 90 2HB GLU 90 -19.252 -4.354 -0.700 1515 2HB GLU 90 1HB GLU 90 -17.543 -4.774 -0.790 1516 1HG GLU 90 2HG GLU 90 -16.918 -2.969 0.617 1517 2HG GLU 90 1HG GLU 90 -18.490 -2.189 0.450 1518 H GLY 91 H GLY 91 -17.714 -0.741 -1.064 1519 1HA GLY 91 2HA GLY 91 -20.495 0.106 -1.095 1520 2HA GLY 91 1HA GLY 91 -19.116 1.068 -0.584 1521 H LEU 92 H LEU 92 -17.665 0.720 -3.374 1522 HA LEU 92 HA LEU 92 -19.562 2.656 -4.686 1523 1HB LEU 92 2HB LEU 92 -16.745 2.601 -5.551 1524 2HB LEU 92 1HB LEU 92 -17.789 3.966 -5.198 1525 HG LEU 92 HG LEU 92 -16.336 2.225 -3.190 1526 1HD1 LEU 92 1HD1 LEU 92 -15.991 5.080 -2.942 1527 2HD1 LEU 92 2HD1 LEU 92 -15.625 4.572 -4.587 1528 3HD1 LEU 92 3HD1 LEU 92 -14.771 3.843 -3.233 1529 1HD2 LEU 92 1HD2 LEU 92 -17.525 4.496 -1.956 1530 2HD2 LEU 92 2HD2 LEU 92 -17.918 2.799 -1.681 1531 3HD2 LEU 92 3HD2 LEU 92 -18.791 3.716 -2.907 1532 H LYS 93 H LYS 93 -16.855 0.757 -6.074 1533 HA LYS 93 HA LYS 93 -18.780 -0.008 -8.250 1534 1HB LYS 93 2HB LYS 93 -16.133 1.245 -8.176 1535 2HB LYS 93 1HB LYS 93 -16.227 -0.093 -9.320 1536 1HG LYS 93 2HG LYS 93 -17.021 1.594 -10.676 1537 2HG LYS 93 1HG LYS 93 -18.543 1.093 -9.937 1538 1HD LYS 93 2HD LYS 93 -18.701 2.981 -8.650 1539 2HD LYS 93 1HD LYS 93 -16.955 3.106 -8.434 1540 1HE LYS 93 2HE LYS 93 -17.341 4.915 -9.864 1541 2HE LYS 93 1HE LYS 93 -17.023 3.634 -11.052 1542 1HZ LYS 93 1HZ LYS 93 -19.370 3.169 -11.172 1543 2HZ LYS 93 2HZ LYS 93 -19.118 4.817 -11.499 1544 3HZ LYS 93 3HZ LYS 93 -19.708 4.330 -9.982 1545 H TYR 94 H TYR 94 -18.427 -1.743 -6.013 1546 HA TYR 94 HA TYR 94 -16.493 -3.826 -6.708 1547 1HB TYR 94 2HB TYR 94 -16.994 -3.664 -4.425 1548 2HB TYR 94 1HB TYR 94 -18.705 -3.379 -4.727 1549 HD1 TYR 94 HD1 TYR 94 -19.771 -5.078 -3.500 1550 HD2 TYR 94 HD2 TYR 94 -16.526 -6.083 -6.126 1551 HE1 TYR 94 HE1 TYR 94 -20.248 -7.488 -3.164 1552 HE2 TYR 94 HE2 TYR 94 -17.005 -8.495 -5.793 1553 HH TYR 94 HH TYR 94 -19.825 -9.654 -4.549 1554 H GLU 95 H GLU 95 -20.012 -3.383 -6.979 1555 HA GLU 95 HA GLU 95 -20.456 -5.930 -8.323 1556 1HB GLU 95 2HB GLU 95 -22.137 -3.406 -8.140 1557 2HB GLU 95 1HB GLU 95 -22.725 -5.003 -8.607 1558 1HG GLU 95 2HG GLU 95 -23.176 -5.321 -6.413 1559 2HG GLU 95 1HG GLU 95 -21.434 -5.487 -6.196 1560 H ASP 96 H ASP 96 -19.946 -2.565 -9.284 1561 HA ASP 96 HA ASP 96 -20.553 -2.747 -12.056 1562 1HB ASP 96 2HB ASP 96 -19.662 -0.845 -10.309 1563 2HB ASP 96 1HB ASP 96 -18.188 -1.156 -11.226 1564 H PHE 97 H PHE 97 -17.617 -3.510 -10.225 1565 HA PHE 97 HA PHE 97 -16.054 -4.296 -12.566 1566 1HB PHE 97 2HB PHE 97 -15.783 -3.993 -9.680 1567 2HB PHE 97 1HB PHE 97 -15.022 -5.486 -10.228 1568 HD1 PHE 97 HD1 PHE 97 -14.246 -2.259 -9.483 1569 HD2 PHE 97 HD2 PHE 97 -13.891 -5.007 -12.766 1570 HE1 PHE 97 HE1 PHE 97 -12.326 -0.961 -10.361 1571 HE2 PHE 97 HE2 PHE 97 -11.970 -3.709 -13.644 1572 HZ PHE 97 HZ PHE 97 -11.186 -1.686 -12.443 1573 H ALA 98 H ALA 98 -18.289 -5.830 -10.350 1574 HA ALA 98 HA ALA 98 -17.593 -8.580 -10.838 1575 1HB ALA 98 1HB ALA 98 -19.148 -7.250 -9.097 1576 2HB ALA 98 2HB ALA 98 -19.411 -8.957 -9.453 1577 3HB ALA 98 3HB ALA 98 -20.396 -7.729 -10.248 1578 H LYS 99 H LYS 99 -19.826 -6.319 -12.409 1579 HA LYS 99 HA LYS 99 -20.801 -8.384 -14.282 1580 1HB LYS 99 2HB LYS 99 -21.324 -5.455 -13.752 1581 2HB LYS 99 1HB LYS 99 -22.027 -6.272 -15.148 1582 1HG LYS 99 2HG LYS 99 -23.063 -7.942 -13.658 1583 2HG LYS 99 1HG LYS 99 -22.357 -7.133 -12.257 1584 1HD LYS 99 2HD LYS 99 -23.644 -5.132 -12.676 1585 2HD LYS 99 1HD LYS 99 -24.220 -5.767 -14.217 1586 1HE LYS 99 2HE LYS 99 -24.744 -7.437 -11.795 1587 2HE LYS 99 1HE LYS 99 -25.710 -5.959 -11.994 1588 1HZ LYS 99 1HZ LYS 99 -26.638 -7.938 -13.164 1589 2HZ LYS 99 2HZ LYS 99 -25.260 -7.943 -14.158 1590 3HZ LYS 99 3HZ LYS 99 -26.324 -6.618 -14.183 Start of MODEL 14 1 1H MET 1 1H MET 1 5.785 4.115 10.571 2 2H MET 1 2H MET 1 4.479 3.252 9.909 3 3H MET 1 3H MET 1 4.520 3.593 11.573 4 HA MET 1 HA MET 1 4.169 5.901 11.215 5 1HB MET 1 2HB MET 1 5.167 5.026 8.572 6 2HB MET 1 1HB MET 1 3.924 6.275 8.514 7 1HG MET 1 2HG MET 1 5.253 7.845 9.529 8 2HG MET 1 1HG MET 1 6.093 6.649 10.515 9 1HE MET 1 1HE MET 1 5.121 7.657 7.223 10 2HE MET 1 2HE MET 1 6.062 6.582 6.192 11 3HE MET 1 3HE MET 1 6.600 8.241 6.447 12 H ASN 2 H ASN 2 2.138 6.875 9.774 13 HA ASN 2 HA ASN 2 0.194 5.003 8.838 14 1HB ASN 2 2HB ASN 2 0.541 5.241 11.681 15 2HB ASN 2 1HB ASN 2 -1.063 5.831 11.250 16 1HD2 ASN 2 1HD2 ASN 2 -2.508 4.301 10.077 17 2HD2 ASN 2 2HD2 ASN 2 -2.245 2.628 10.197 18 H LYS 3 H LYS 3 -2.175 6.218 9.627 19 HA LYS 3 HA LYS 3 -2.495 8.388 7.871 20 1HB LYS 3 2HB LYS 3 -4.054 6.854 9.529 21 2HB LYS 3 1HB LYS 3 -4.133 8.413 10.345 22 1HG LYS 3 2HG LYS 3 -5.447 9.313 8.730 23 2HG LYS 3 1HG LYS 3 -4.461 8.637 7.437 24 1HD LYS 3 2HD LYS 3 -5.599 6.539 7.525 25 2HD LYS 3 1HD LYS 3 -6.352 6.929 9.066 26 1HE LYS 3 2HE LYS 3 -6.932 8.484 6.511 27 2HE LYS 3 1HE LYS 3 -7.923 7.123 7.071 28 1HZ LYS 3 1HZ LYS 3 -8.006 8.297 9.276 29 2HZ LYS 3 2HZ LYS 3 -8.866 9.053 8.021 30 3HZ LYS 3 3HZ LYS 3 -7.355 9.660 8.505 31 H THR 4 H THR 4 -0.822 8.379 10.880 32 HA THR 4 HA THR 4 -1.042 11.359 11.111 33 HB THR 4 HB THR 4 -0.340 9.188 13.107 34 HG1 THR 4 HG1 THR 4 -2.588 10.872 12.741 35 1HG2 THR 4 1HG2 THR 4 0.894 11.080 13.800 36 2HG2 THR 4 2HG2 THR 4 -0.602 11.178 14.730 37 3HG2 THR 4 3HG2 THR 4 -0.380 12.197 13.308 38 H GLU 5 H GLU 5 1.325 8.766 11.831 39 HA GLU 5 HA GLU 5 3.641 10.330 11.925 40 1HB GLU 5 2HB GLU 5 3.318 7.573 10.714 41 2HB GLU 5 1HB GLU 5 4.806 8.243 11.374 42 1HG GLU 5 2HG GLU 5 2.634 8.447 13.294 43 2HG GLU 5 1HG GLU 5 2.873 6.777 12.780 44 H LEU 6 H LEU 6 2.171 8.779 9.053 45 HA LEU 6 HA LEU 6 4.008 9.764 7.117 46 1HB LEU 6 2HB LEU 6 1.090 9.022 7.142 47 2HB LEU 6 1HB LEU 6 1.818 9.655 5.668 48 HG LEU 6 HG LEU 6 3.131 7.409 7.180 49 1HD1 LEU 6 1HD1 LEU 6 1.223 6.214 6.780 50 2HD1 LEU 6 2HD1 LEU 6 1.868 6.129 5.141 51 3HD1 LEU 6 3HD1 LEU 6 0.655 7.343 5.549 52 1HD2 LEU 6 1HD2 LEU 6 4.322 7.081 5.188 53 2HD2 LEU 6 2HD2 LEU 6 4.143 8.835 5.222 54 3HD2 LEU 6 3HD2 LEU 6 3.083 7.860 4.206 55 H ILE 7 H ILE 7 1.282 11.439 8.726 56 HA ILE 7 HA ILE 7 1.226 13.714 6.978 57 HB ILE 7 HB ILE 7 -0.119 14.725 8.591 58 1HG1 ILE 7 2HG1 ILE 7 0.087 13.653 11.076 59 2HG1 ILE 7 1HG1 ILE 7 1.756 13.539 10.539 60 1HG2 ILE 7 1HG2 ILE 7 -1.058 12.553 7.911 61 2HG2 ILE 7 2HG2 ILE 7 -1.564 13.013 9.535 62 3HG2 ILE 7 3HG2 ILE 7 -0.308 11.802 9.317 63 1HD1 ILE 7 1HD1 ILE 7 1.647 15.688 11.491 64 2HD1 ILE 7 2HD1 ILE 7 0.046 15.997 10.818 65 3HD1 ILE 7 3HD1 ILE 7 1.460 15.995 9.764 66 H LYS 8 H LYS 8 3.152 12.920 9.824 67 HA LYS 8 HA LYS 8 4.633 15.393 9.866 68 1HB LYS 8 2HB LYS 8 5.466 14.400 11.744 69 2HB LYS 8 1HB LYS 8 4.381 13.057 11.398 70 1HG LYS 8 2HG LYS 8 6.165 12.008 10.011 71 2HG LYS 8 1HG LYS 8 7.249 13.329 10.445 72 1HD LYS 8 2HD LYS 8 7.847 11.885 12.121 73 2HD LYS 8 1HD LYS 8 6.443 12.598 12.914 74 1HE LYS 8 2HE LYS 8 5.336 10.619 12.875 75 2HE LYS 8 1HE LYS 8 5.662 10.410 11.143 76 1HZ LYS 8 1HZ LYS 8 7.867 9.655 11.634 77 2HZ LYS 8 2HZ LYS 8 6.780 8.727 12.554 78 3HZ LYS 8 3HZ LYS 8 7.671 9.973 13.288 79 H ALA 9 H ALA 9 4.885 12.354 8.109 80 HA ALA 9 HA ALA 9 7.522 12.576 7.056 81 1HB ALA 9 1HB ALA 9 5.640 10.744 6.938 82 2HB ALA 9 2HB ALA 9 6.783 10.893 5.605 83 3HB ALA 9 3HB ALA 9 5.170 11.591 5.465 84 H ILE 10 H ILE 10 4.410 13.989 5.985 85 HA ILE 10 HA ILE 10 5.787 15.389 3.779 86 HB ILE 10 HB ILE 10 3.021 14.686 4.651 87 1HG1 ILE 10 2HG1 ILE 10 2.696 14.434 2.217 88 2HG1 ILE 10 1HG1 ILE 10 4.293 15.126 1.933 89 1HG2 ILE 10 1HG2 ILE 10 3.599 17.265 3.168 90 2HG2 ILE 10 2HG2 ILE 10 2.791 17.101 4.725 91 3HG2 ILE 10 3HG2 ILE 10 2.011 16.509 3.260 92 1HD1 ILE 10 1HD1 ILE 10 4.343 12.645 1.862 93 2HD1 ILE 10 2HD1 ILE 10 3.748 12.599 3.521 94 3HD1 ILE 10 3HD1 ILE 10 5.338 13.281 3.173 95 H ALA 11 H ALA 11 4.428 15.856 6.982 96 HA ALA 11 HA ALA 11 4.451 18.735 6.924 97 1HB ALA 11 1HB ALA 11 4.962 16.991 9.342 98 2HB ALA 11 2HB ALA 11 3.389 16.962 8.547 99 3HB ALA 11 3HB ALA 11 3.996 18.460 9.244 100 H GLN 12 H GLN 12 6.937 16.401 6.820 101 HA GLN 12 HA GLN 12 8.923 18.404 7.777 102 1HB GLN 12 2HB GLN 12 10.181 16.586 8.668 103 2HB GLN 12 1HB GLN 12 8.510 16.170 9.038 104 1HG GLN 12 2HG GLN 12 8.425 14.740 7.021 105 2HG GLN 12 1HG GLN 12 10.108 15.137 6.676 106 1HE2 GLN 12 1HE2 GLN 12 11.329 14.964 9.160 107 2HE2 GLN 12 2HE2 GLN 12 11.163 13.398 9.794 108 H ASP 13 H ASP 13 8.322 15.833 5.337 109 HA ASP 13 HA ASP 13 10.712 16.469 3.778 110 1HB ASP 13 2HB ASP 13 8.089 15.027 3.293 111 2HB ASP 13 1HB ASP 13 9.265 15.238 1.998 112 H THR 14 H THR 14 7.512 17.622 4.159 113 HA THR 14 HA THR 14 7.699 19.551 1.895 114 HB THR 14 HB THR 14 5.182 19.313 3.366 115 HG1 THR 14 HG1 THR 14 6.289 16.945 2.261 116 1HG2 THR 14 1HG2 THR 14 6.071 19.603 0.734 117 2HG2 THR 14 2HG2 THR 14 4.398 19.483 1.287 118 3HG2 THR 14 3HG2 THR 14 5.268 18.035 0.780 119 H GLY 15 H GLY 15 6.070 19.568 5.068 120 1HA GLY 15 2HA GLY 15 6.138 21.078 6.862 121 2HA GLY 15 1HA GLY 15 7.803 21.399 6.391 122 H LEU 16 H LEU 16 5.517 21.950 3.946 123 HA LEU 16 HA LEU 16 6.126 24.705 3.598 124 1HB LEU 16 2HB LEU 16 3.757 22.985 2.831 125 2HB LEU 16 1HB LEU 16 3.996 24.623 2.221 126 HG LEU 16 HG LEU 16 6.439 23.562 1.764 127 1HD1 LEU 16 1HD1 LEU 16 4.790 21.338 2.347 128 2HD1 LEU 16 2HD1 LEU 16 6.443 21.330 1.741 129 3HD1 LEU 16 3HD1 LEU 16 5.093 21.324 0.615 130 1HD2 LEU 16 1HD2 LEU 16 5.218 22.944 -0.579 131 2HD2 LEU 16 2HD2 LEU 16 5.523 24.610 -0.091 132 3HD2 LEU 16 3HD2 LEU 16 3.936 23.891 0.173 133 H THR 17 H THR 17 2.952 23.464 4.540 134 HA THR 17 HA THR 17 2.695 25.640 6.556 135 HB THR 17 HB THR 17 1.691 25.814 4.053 136 HG1 THR 17 HG1 THR 17 1.475 27.455 5.519 137 1HG2 THR 17 1HG2 THR 17 0.354 23.763 4.292 138 2HG2 THR 17 2HG2 THR 17 -0.681 25.170 4.081 139 3HG2 THR 17 3HG2 THR 17 -0.485 24.460 5.677 140 H GLN 18 H GLN 18 2.793 22.430 6.128 141 HA GLN 18 HA GLN 18 1.837 20.587 7.235 142 1HB GLN 18 2HB GLN 18 0.639 22.654 9.107 143 2HB GLN 18 1HB GLN 18 1.143 21.009 9.493 144 1HG GLN 18 2HG GLN 18 3.507 21.843 8.719 145 2HG GLN 18 1HG GLN 18 2.838 23.444 9.035 146 1HE2 GLN 18 1HE2 GLN 18 1.418 23.280 11.306 147 2HE2 GLN 18 2HE2 GLN 18 2.318 22.632 12.591 148 H VAL 19 H VAL 19 0.524 22.293 5.185 149 HA VAL 19 HA VAL 19 -1.911 23.056 4.890 150 HB VAL 19 HB VAL 19 -0.744 22.167 3.004 151 1HG1 VAL 19 1HG1 VAL 19 -1.006 19.385 3.035 152 2HG1 VAL 19 2HG1 VAL 19 -0.514 19.797 4.678 153 3HG1 VAL 19 3HG1 VAL 19 0.476 20.300 3.312 154 1HG2 VAL 19 1HG2 VAL 19 -2.433 20.524 1.957 155 2HG2 VAL 19 2HG2 VAL 19 -3.052 22.099 2.438 156 3HG2 VAL 19 3HG2 VAL 19 -3.344 20.692 3.448 157 H SER 20 H SER 20 -2.333 19.663 4.638 158 HA SER 20 HA SER 20 -4.141 19.579 6.958 159 1HB SER 20 2HB SER 20 -4.651 19.302 4.077 160 2HB SER 20 1HB SER 20 -5.190 17.900 4.987 161 HG SER 20 HG SER 20 -6.817 19.459 4.935 162 H VAL 21 H VAL 21 -1.273 18.770 6.187 163 HA VAL 21 HA VAL 21 -0.553 16.300 5.576 164 HB VAL 21 HB VAL 21 0.890 16.296 7.619 165 1HG1 VAL 21 1HG1 VAL 21 0.703 19.122 6.623 166 2HG1 VAL 21 2HG1 VAL 21 1.152 17.827 5.514 167 3HG1 VAL 21 3HG1 VAL 21 2.142 18.150 6.939 168 1HG2 VAL 21 1HG2 VAL 21 -0.936 18.588 8.380 169 2HG2 VAL 21 2HG2 VAL 21 0.629 18.301 9.141 170 3HG2 VAL 21 3HG2 VAL 21 -0.656 17.102 9.287 171 H SER 22 H SER 22 -2.492 17.116 8.332 172 HA SER 22 HA SER 22 -2.896 14.287 9.130 173 1HB SER 22 2HB SER 22 -4.321 16.771 10.114 174 2HB SER 22 1HB SER 22 -4.068 15.261 10.985 175 HG SER 22 HG SER 22 -2.368 16.268 11.718 176 H LYS 23 H LYS 23 -4.626 16.896 7.507 177 HA LYS 23 HA LYS 23 -7.072 15.323 7.220 178 1HB LYS 23 2HB LYS 23 -6.125 18.059 6.888 179 2HB LYS 23 1HB LYS 23 -7.253 17.571 5.623 180 1HG LYS 23 2HG LYS 23 -8.981 17.161 7.152 181 2HG LYS 23 1HG LYS 23 -7.868 16.979 8.508 182 1HD LYS 23 2HD LYS 23 -8.450 19.574 7.047 183 2HD LYS 23 1HD LYS 23 -9.071 19.133 8.637 184 1HE LYS 23 2HE LYS 23 -6.402 18.729 9.035 185 2HE LYS 23 1HE LYS 23 -6.365 20.073 7.875 186 1HZ LYS 23 1HZ LYS 23 -6.610 20.848 10.185 187 2HZ LYS 23 2HZ LYS 23 -8.065 19.981 10.313 188 3HZ LYS 23 3HZ LYS 23 -7.938 21.277 9.222 189 H MET 24 H MET 24 -4.301 16.237 5.116 190 HA MET 24 HA MET 24 -5.647 15.169 2.751 191 1HB MET 24 2HB MET 24 -2.938 15.164 2.163 192 2HB MET 24 1HB MET 24 -4.047 16.484 1.858 193 1HG MET 24 2HG MET 24 -3.197 17.755 3.579 194 2HG MET 24 1HG MET 24 -2.902 16.342 4.581 195 1HE MET 24 1HE MET 24 0.172 14.935 4.034 196 2HE MET 24 2HE MET 24 -1.088 14.347 2.950 197 3HE MET 24 3HE MET 24 -1.514 14.897 4.568 198 H LEU 25 H LEU 25 -3.193 13.906 5.083 199 HA LEU 25 HA LEU 25 -2.994 11.408 3.592 200 1HB LEU 25 2HB LEU 25 -2.039 12.526 6.182 201 2HB LEU 25 1HB LEU 25 -2.026 10.770 5.988 202 HG LEU 25 HG LEU 25 -0.905 12.617 3.886 203 1HD1 LEU 25 1HD1 LEU 25 0.190 11.981 6.500 204 2HD1 LEU 25 2HD1 LEU 25 0.786 13.108 5.282 205 3HD1 LEU 25 3HD1 LEU 25 1.240 11.408 5.207 206 1HD2 LEU 25 1HD2 LEU 25 -1.085 10.544 2.893 207 2HD2 LEU 25 2HD2 LEU 25 -0.980 9.683 4.428 208 3HD2 LEU 25 3HD2 LEU 25 0.479 10.330 3.679 209 H ALA 26 H ALA 26 -4.871 12.584 6.375 210 HA ALA 26 HA ALA 26 -6.124 10.069 7.011 211 1HB ALA 26 1HB ALA 26 -7.006 12.961 7.303 212 2HB ALA 26 2HB ALA 26 -6.175 11.991 8.521 213 3HB ALA 26 3HB ALA 26 -7.832 11.599 8.061 214 H SER 27 H SER 27 -6.707 12.628 4.675 215 HA SER 27 HA SER 27 -9.224 11.451 3.703 216 1HB SER 27 2HB SER 27 -7.439 13.743 2.835 217 2HB SER 27 1HB SER 27 -8.935 13.322 2.011 218 HG SER 27 HG SER 27 -8.614 14.788 4.195 219 H PHE 28 H PHE 28 -5.799 11.514 2.911 220 HA PHE 28 HA PHE 28 -5.854 10.478 0.252 221 1HB PHE 28 2HB PHE 28 -3.729 11.093 0.851 222 2HB PHE 28 1HB PHE 28 -4.012 10.722 2.542 223 HD1 PHE 28 HD1 PHE 28 -3.473 8.545 3.473 224 HD2 PHE 28 HD2 PHE 28 -3.081 9.278 -0.740 225 HE1 PHE 28 HE1 PHE 28 -2.136 6.488 3.240 226 HE2 PHE 28 HE2 PHE 28 -1.748 7.222 -0.969 227 HZ PHE 28 HZ PHE 28 -1.267 5.827 1.005 228 H GLU 29 H GLU 29 -6.077 8.957 3.414 229 HA GLU 29 HA GLU 29 -6.113 6.250 2.332 230 1HB GLU 29 2HB GLU 29 -6.289 7.684 4.953 231 2HB GLU 29 1HB GLU 29 -6.911 6.032 4.876 232 1HG GLU 29 2HG GLU 29 -4.857 5.137 4.525 233 2HG GLU 29 1HG GLU 29 -4.340 6.477 3.518 234 H LYS 30 H LYS 30 -8.250 8.788 3.353 235 HA LYS 30 HA LYS 30 -10.715 7.277 3.214 236 1HB LYS 30 2HB LYS 30 -10.285 9.511 4.365 237 2HB LYS 30 1HB LYS 30 -10.273 10.241 2.758 238 1HG LYS 30 2HG LYS 30 -12.529 9.844 2.402 239 2HG LYS 30 1HG LYS 30 -12.567 8.472 3.509 240 1HD LYS 30 2HD LYS 30 -11.973 11.204 4.600 241 2HD LYS 30 1HD LYS 30 -13.643 10.775 4.226 242 1HE LYS 30 2HE LYS 30 -13.796 9.472 6.075 243 2HE LYS 30 1HE LYS 30 -12.286 8.629 5.675 244 1HZ LYS 30 1HZ LYS 30 -12.185 10.020 7.737 245 2HZ LYS 30 2HZ LYS 30 -12.376 11.392 6.752 246 3HZ LYS 30 3HZ LYS 30 -11.011 10.396 6.571 247 H ILE 31 H ILE 31 -8.618 8.888 0.878 248 HA ILE 31 HA ILE 31 -10.637 8.548 -1.277 249 HB ILE 31 HB ILE 31 -8.906 9.782 -2.593 250 1HG1 ILE 31 2HG1 ILE 31 -7.394 11.013 -0.662 251 2HG1 ILE 31 1HG1 ILE 31 -7.391 9.321 -0.187 252 1HG2 ILE 31 1HG2 ILE 31 -9.349 11.945 -1.502 253 2HG2 ILE 31 2HG2 ILE 31 -9.862 11.089 -0.047 254 3HG2 ILE 31 3HG2 ILE 31 -10.794 10.935 -1.536 255 1HD1 ILE 31 1HD1 ILE 31 -6.602 10.444 -2.874 256 2HD1 ILE 31 2HD1 ILE 31 -6.797 8.721 -2.553 257 3HD1 ILE 31 3HD1 ILE 31 -5.550 9.640 -1.710 258 H ILE 32 H ILE 32 -7.551 7.338 -0.169 259 HA ILE 32 HA ILE 32 -6.875 5.721 -2.473 260 HB ILE 32 HB ILE 32 -6.279 5.546 0.502 261 1HG1 ILE 32 2HG1 ILE 32 -5.337 7.367 -1.196 262 2HG1 ILE 32 1HG1 ILE 32 -4.273 6.629 -0.002 263 1HG2 ILE 32 1HG2 ILE 32 -4.395 3.961 -0.390 264 2HG2 ILE 32 2HG2 ILE 32 -5.484 3.722 -1.756 265 3HG2 ILE 32 3HG2 ILE 32 -6.013 3.311 -0.124 266 1HD1 ILE 32 1HD1 ILE 32 -4.587 5.345 -2.697 267 2HD1 ILE 32 2HD1 ILE 32 -3.214 5.288 -1.590 268 3HD1 ILE 32 3HD1 ILE 32 -3.533 6.749 -2.524 269 H THR 33 H THR 33 -8.412 5.062 0.634 270 HA THR 33 HA THR 33 -9.230 2.425 -0.011 271 HB THR 33 HB THR 33 -9.269 4.227 2.168 272 HG1 THR 33 HG1 THR 33 -9.004 2.400 3.111 273 1HG2 THR 33 1HG2 THR 33 -11.577 4.779 1.663 274 2HG2 THR 33 2HG2 THR 33 -11.515 3.773 3.110 275 3HG2 THR 33 3HG2 THR 33 -11.988 3.068 1.564 276 H GLU 34 H GLU 34 -10.814 5.586 -0.174 277 HA GLU 34 HA GLU 34 -13.362 4.664 -1.166 278 1HB GLU 34 2HB GLU 34 -11.820 7.233 -1.003 279 2HB GLU 34 1HB GLU 34 -13.350 7.195 -1.870 280 1HG GLU 34 2HG GLU 34 -13.038 6.148 0.962 281 2HG GLU 34 1HG GLU 34 -13.530 7.806 0.603 282 H THR 35 H THR 35 -10.362 5.731 -2.821 283 HA THR 35 HA THR 35 -11.423 5.945 -5.460 284 HB THR 35 HB THR 35 -8.721 5.208 -4.314 285 HG1 THR 35 HG1 THR 35 -8.219 7.239 -5.188 286 1HG2 THR 35 1HG2 THR 35 -9.708 4.772 -7.044 287 2HG2 THR 35 2HG2 THR 35 -8.238 4.178 -6.280 288 3HG2 THR 35 3HG2 THR 35 -8.272 5.791 -6.990 289 H VAL 36 H VAL 36 -9.790 3.112 -3.954 290 HA VAL 36 HA VAL 36 -10.475 1.331 -6.085 291 HB VAL 36 HB VAL 36 -9.156 1.189 -3.663 292 1HG1 VAL 36 1HG1 VAL 36 -10.272 -0.508 -2.297 293 2HG1 VAL 36 2HG1 VAL 36 -11.634 -0.545 -3.416 294 3HG1 VAL 36 3HG1 VAL 36 -11.318 0.902 -2.460 295 1HG2 VAL 36 1HG2 VAL 36 -8.296 -0.529 -4.828 296 2HG2 VAL 36 2HG2 VAL 36 -9.666 -0.469 -5.934 297 3HG2 VAL 36 3HG2 VAL 36 -9.739 -1.485 -4.496 298 H ALA 37 H ALA 37 -12.271 2.726 -3.430 299 HA ALA 37 HA ALA 37 -14.678 1.101 -3.696 300 1HB ALA 37 1HB ALA 37 -15.313 2.338 -1.868 301 2HB ALA 37 2HB ALA 37 -14.787 3.846 -2.596 302 3HB ALA 37 3HB ALA 37 -13.610 2.778 -1.842 303 H LYS 38 H LYS 38 -13.244 3.437 -5.664 304 HA LYS 38 HA LYS 38 -15.890 4.329 -6.752 305 1HB LYS 38 2HB LYS 38 -13.395 5.661 -6.050 306 2HB LYS 38 1HB LYS 38 -13.820 5.958 -7.735 307 1HG LYS 38 2HG LYS 38 -15.593 7.256 -7.181 308 2HG LYS 38 1HG LYS 38 -16.109 6.157 -5.902 309 1HD LYS 38 2HD LYS 38 -13.605 7.489 -5.225 310 2HD LYS 38 1HD LYS 38 -14.893 8.650 -5.547 311 1HE LYS 38 2HE LYS 38 -15.299 6.260 -3.725 312 2HE LYS 38 1HE LYS 38 -14.751 7.839 -3.127 313 1HZ LYS 38 1HZ LYS 38 -16.663 8.848 -4.277 314 2HZ LYS 38 2HZ LYS 38 -17.142 7.766 -3.058 315 3HZ LYS 38 3HZ LYS 38 -17.221 7.301 -4.690 316 H GLY 39 H GLY 39 -12.729 2.983 -7.432 317 1HA GLY 39 2HA GLY 39 -12.684 1.261 -9.199 318 2HA GLY 39 1HA GLY 39 -13.731 2.313 -10.148 319 H ASP 40 H ASP 40 -10.800 3.172 -8.297 320 HA ASP 40 HA ASP 40 -9.573 3.953 -10.932 321 1HB ASP 40 2HB ASP 40 -10.324 5.533 -8.645 322 2HB ASP 40 1HB ASP 40 -8.574 5.610 -8.855 323 H LYS 41 H LYS 41 -7.819 2.725 -11.264 324 HA LYS 41 HA LYS 41 -6.496 1.136 -9.274 325 1HB LYS 41 2HB LYS 41 -6.273 1.811 -12.147 326 2HB LYS 41 1HB LYS 41 -4.759 1.319 -11.388 327 1HG LYS 41 2HG LYS 41 -5.544 -0.808 -10.879 328 2HG LYS 41 1HG LYS 41 -7.231 -0.292 -10.860 329 1HD LYS 41 2HD LYS 41 -5.795 -0.031 -13.451 330 2HD LYS 41 1HD LYS 41 -6.164 -1.672 -12.917 331 1HE LYS 41 2HE LYS 41 -8.550 -0.478 -12.402 332 2HE LYS 41 1HE LYS 41 -8.013 0.479 -13.796 333 1HZ LYS 41 1HZ LYS 41 -7.554 -1.537 -15.004 334 2HZ LYS 41 2HZ LYS 41 -9.166 -1.575 -14.465 335 3HZ LYS 41 3HZ LYS 41 -7.978 -2.489 -13.666 336 H VAL 42 H VAL 42 -5.884 2.634 -7.629 337 HA VAL 42 HA VAL 42 -4.310 5.000 -8.082 338 HB VAL 42 HB VAL 42 -4.800 3.171 -5.721 339 1HG1 VAL 42 1HG1 VAL 42 -2.883 4.093 -4.873 340 2HG1 VAL 42 2HG1 VAL 42 -3.933 5.480 -4.582 341 3HG1 VAL 42 3HG1 VAL 42 -2.906 5.437 -6.015 342 1HG2 VAL 42 1HG2 VAL 42 -6.423 4.990 -6.959 343 2HG2 VAL 42 2HG2 VAL 42 -5.654 6.001 -5.734 344 3HG2 VAL 42 3HG2 VAL 42 -6.547 4.557 -5.254 345 H GLN 43 H GLN 43 -2.144 5.212 -8.453 346 HA GLN 43 HA GLN 43 -0.384 2.835 -7.960 347 1HB GLN 43 2HB GLN 43 0.816 4.065 -10.065 348 2HB GLN 43 1HB GLN 43 -0.370 2.780 -10.258 349 1HG GLN 43 2HG GLN 43 -2.162 4.504 -10.443 350 2HG GLN 43 1HG GLN 43 -0.925 5.757 -10.340 351 1HE2 GLN 43 1HE2 GLN 43 1.098 4.499 -11.961 352 2HE2 GLN 43 2HE2 GLN 43 0.521 4.424 -13.554 353 H LEU 44 H LEU 44 1.829 3.402 -7.435 354 HA LEU 44 HA LEU 44 2.201 6.260 -6.608 355 1HB LEU 44 2HB LEU 44 2.957 3.690 -5.182 356 2HB LEU 44 1HB LEU 44 3.329 5.309 -4.596 357 HG LEU 44 HG LEU 44 0.556 4.164 -5.052 358 1HD1 LEU 44 1HD1 LEU 44 0.766 3.445 -2.924 359 2HD1 LEU 44 2HD1 LEU 44 0.884 5.125 -2.425 360 3HD1 LEU 44 3HD1 LEU 44 2.344 4.211 -2.771 361 1HD2 LEU 44 1HD2 LEU 44 0.337 6.534 -3.619 362 2HD2 LEU 44 2HD2 LEU 44 -0.030 6.331 -5.331 363 3HD2 LEU 44 3HD2 LEU 44 1.561 6.905 -4.833 364 H THR 45 H THR 45 3.787 7.024 -7.960 365 HA THR 45 HA THR 45 5.636 6.944 -9.468 366 HB THR 45 HB THR 45 6.819 7.773 -7.672 367 HG1 THR 45 HG1 THR 45 8.664 6.552 -7.411 368 1HG2 THR 45 1HG2 THR 45 7.141 6.527 -5.527 369 2HG2 THR 45 2HG2 THR 45 6.150 5.225 -6.181 370 3HG2 THR 45 3HG2 THR 45 5.451 6.818 -5.925 371 H GLY 46 H GLY 46 6.984 4.314 -7.561 372 1HA GLY 46 2HA GLY 46 6.279 2.334 -9.624 373 2HA GLY 46 1HA GLY 46 7.995 2.707 -9.452 374 H PHE 47 H PHE 47 5.815 2.739 -6.668 375 HA PHE 47 HA PHE 47 7.044 0.162 -5.821 376 1HB PHE 47 2HB PHE 47 7.520 1.050 -3.657 377 2HB PHE 47 1HB PHE 47 8.145 2.188 -4.840 378 HD1 PHE 47 HD1 PHE 47 7.572 4.438 -4.682 379 HD2 PHE 47 HD2 PHE 47 5.079 1.516 -2.780 380 HE1 PHE 47 HE1 PHE 47 6.263 6.223 -3.646 381 HE2 PHE 47 HE2 PHE 47 3.754 3.321 -1.744 382 HZ PHE 47 HZ PHE 47 4.342 5.684 -2.179 383 H LEU 48 H LEU 48 4.147 2.156 -5.812 384 HA LEU 48 HA LEU 48 2.786 -0.187 -4.557 385 1HB LEU 48 2HB LEU 48 2.869 2.629 -3.761 386 2HB LEU 48 1HB LEU 48 1.253 1.941 -3.795 387 HG LEU 48 HG LEU 48 3.553 1.300 -2.007 388 1HD1 LEU 48 1HD1 LEU 48 1.805 2.491 -1.001 389 2HD1 LEU 48 2HD1 LEU 48 1.511 0.822 -0.514 390 3HD1 LEU 48 3HD1 LEU 48 0.567 1.539 -1.819 391 1HD2 LEU 48 1HD2 LEU 48 1.671 -0.761 -3.146 392 2HD2 LEU 48 2HD2 LEU 48 2.289 -0.923 -1.504 393 3HD2 LEU 48 3HD2 LEU 48 3.409 -0.887 -2.863 394 H ASN 49 H ASN 49 1.684 -1.063 -6.225 395 HA ASN 49 HA ASN 49 0.100 0.759 -8.007 396 1HB ASN 49 2HB ASN 49 1.981 -1.113 -8.629 397 2HB ASN 49 1HB ASN 49 0.518 -2.098 -8.692 398 1HD2 ASN 49 1HD2 ASN 49 2.280 -1.033 -10.948 399 2HD2 ASN 49 2HD2 ASN 49 1.208 -0.204 -11.969 400 H ILE 50 H ILE 50 -1.797 0.893 -6.710 401 HA ILE 50 HA ILE 50 -3.064 -1.514 -5.595 402 HB ILE 50 HB ILE 50 -3.768 1.430 -5.827 403 1HG1 ILE 50 2HG1 ILE 50 -2.938 1.702 -3.724 404 2HG1 ILE 50 1HG1 ILE 50 -3.570 0.164 -3.165 405 1HG2 ILE 50 1HG2 ILE 50 -5.398 -0.884 -4.856 406 2HG2 ILE 50 2HG2 ILE 50 -5.909 0.562 -5.729 407 3HG2 ILE 50 3HG2 ILE 50 -5.531 0.658 -4.009 408 1HD1 ILE 50 1HD1 ILE 50 -1.144 0.095 -3.076 409 2HD1 ILE 50 2HD1 ILE 50 -1.027 0.611 -4.757 410 3HD1 ILE 50 3HD1 ILE 50 -1.679 -0.980 -4.365 411 H LYS 51 H LYS 51 -4.927 -2.591 -6.485 412 HA LYS 51 HA LYS 51 -6.301 -1.298 -8.763 413 1HB LYS 51 2HB LYS 51 -5.706 -3.085 -10.353 414 2HB LYS 51 1HB LYS 51 -4.253 -2.294 -9.747 415 1HG LYS 51 2HG LYS 51 -3.891 -4.111 -8.147 416 2HG LYS 51 1HG LYS 51 -5.391 -4.882 -8.658 417 1HD LYS 51 2HD LYS 51 -3.449 -4.255 -10.813 418 2HD LYS 51 1HD LYS 51 -2.992 -5.545 -9.699 419 1HE LYS 51 2HE LYS 51 -5.012 -6.784 -10.180 420 2HE LYS 51 1HE LYS 51 -5.681 -5.427 -11.108 421 1HZ LYS 51 1HZ LYS 51 -3.129 -6.811 -11.746 422 2HZ LYS 51 2HZ LYS 51 -3.872 -5.587 -12.659 423 3HZ LYS 51 3HZ LYS 51 -4.602 -7.116 -12.531 424 HA PRO 52 HA PRO 52 -9.301 -3.919 -6.778 425 1HB PRO 52 2HB PRO 52 -11.506 -2.853 -7.962 426 2HB PRO 52 1HB PRO 52 -10.631 -2.043 -6.650 427 1HG PRO 52 2HG PRO 52 -10.691 -1.437 -9.523 428 2HG PRO 52 1HG PRO 52 -10.365 -0.376 -8.147 429 1HD PRO 52 2HD PRO 52 -8.469 -1.525 -9.907 430 2HD PRO 52 1HD PRO 52 -8.138 -0.620 -8.414 431 H VAL 53 H VAL 53 -10.357 -5.771 -7.324 432 HA VAL 53 HA VAL 53 -10.834 -6.449 -10.175 433 HB VAL 53 HB VAL 53 -9.885 -8.685 -9.693 434 1HG1 VAL 53 1HG1 VAL 53 -7.869 -6.675 -8.705 435 2HG1 VAL 53 2HG1 VAL 53 -8.462 -6.605 -10.364 436 3HG1 VAL 53 3HG1 VAL 53 -7.623 -8.045 -9.787 437 1HG2 VAL 53 1HG2 VAL 53 -9.386 -9.387 -7.584 438 2HG2 VAL 53 2HG2 VAL 53 -10.398 -8.044 -7.062 439 3HG2 VAL 53 3HG2 VAL 53 -8.649 -7.846 -7.149 440 H ALA 54 H ALA 54 -11.760 -9.128 -9.252 441 HA ALA 54 HA ALA 54 -13.740 -8.669 -7.233 442 1HB ALA 54 1HB ALA 54 -14.471 -8.184 -10.066 443 2HB ALA 54 2HB ALA 54 -15.047 -7.388 -8.605 444 3HB ALA 54 3HB ALA 54 -15.667 -8.973 -9.047 445 H ARG 55 H ARG 55 -14.769 -10.410 -6.476 446 HA ARG 55 HA ARG 55 -15.284 -12.899 -7.675 447 1HB ARG 55 2HB ARG 55 -12.952 -13.116 -8.230 448 2HB ARG 55 1HB ARG 55 -12.456 -12.549 -6.636 449 1HG ARG 55 2HG ARG 55 -14.193 -14.894 -6.476 450 2HG ARG 55 1HG ARG 55 -12.736 -15.211 -7.417 451 1HD ARG 55 2HD ARG 55 -12.311 -13.686 -4.903 452 2HD ARG 55 1HD ARG 55 -12.789 -15.384 -4.708 453 HE ARG 55 HE ARG 55 -10.358 -14.435 -6.136 454 1HH1 ARG 55 1HH1 ARG 55 -10.834 -16.475 -3.769 455 2HH1 ARG 55 2HH1 ARG 55 -10.378 -17.940 -4.573 456 1HH2 ARG 55 1HH2 ARG 55 -10.455 -16.536 -7.743 457 2HH2 ARG 55 2HH2 ARG 55 -10.163 -17.975 -6.823 458 H GLN 56 H GLN 56 -16.946 -13.029 -6.143 459 HA GLN 56 HA GLN 56 -16.181 -13.813 -3.412 460 1HB GLN 56 2HB GLN 56 -17.199 -11.130 -4.195 461 2HB GLN 56 1HB GLN 56 -17.918 -11.830 -2.750 462 1HG GLN 56 2HG GLN 56 -15.220 -12.395 -2.440 463 2HG GLN 56 1HG GLN 56 -15.203 -10.800 -3.186 464 1HE2 GLN 56 1HE2 GLN 56 -17.661 -9.789 -2.045 465 2HE2 GLN 56 2HE2 GLN 56 -17.428 -9.609 -0.373 466 H ALA 57 H ALA 57 -17.747 -14.967 -5.718 467 HA ALA 57 HA ALA 57 -20.335 -15.236 -4.257 468 1HB ALA 57 1HB ALA 57 -19.822 -14.871 -7.210 469 2HB ALA 57 2HB ALA 57 -20.641 -13.749 -6.126 470 3HB ALA 57 3HB ALA 57 -21.396 -15.289 -6.534 471 H ARG 58 H ARG 58 -21.588 -17.027 -4.770 472 HA ARG 58 HA ARG 58 -20.565 -19.519 -4.252 473 1HB ARG 58 2HB ARG 58 -22.855 -18.785 -6.098 474 2HB ARG 58 1HB ARG 58 -22.697 -20.301 -5.218 475 1HG ARG 58 2HG ARG 58 -22.643 -18.898 -3.083 476 2HG ARG 58 1HG ARG 58 -23.134 -17.531 -4.081 477 1HD ARG 58 2HD ARG 58 -25.180 -18.663 -4.739 478 2HD ARG 58 1HD ARG 58 -24.675 -20.141 -3.895 479 HE ARG 58 HE ARG 58 -24.567 -18.554 -1.815 480 1HH1 ARG 58 1HH2 ARG 58 -27.085 -19.077 -4.033 481 2HH1 ARG 58 2HH2 ARG 58 -28.165 -17.932 -3.315 482 1HH2 ARG 58 1HH1 ARG 58 -25.822 -16.717 -1.069 483 2HH2 ARG 58 2HH1 ARG 58 -27.453 -16.598 -1.640 484 H LYS 59 H LYS 59 -20.380 -21.445 -5.710 485 HA LYS 59 HA LYS 59 -19.995 -21.212 -8.553 486 1HB LYS 59 2HB LYS 59 -17.505 -21.379 -8.528 487 2HB LYS 59 1HB LYS 59 -18.071 -19.869 -7.816 488 1HG LYS 59 2HG LYS 59 -17.748 -20.714 -5.579 489 2HG LYS 59 1HG LYS 59 -17.420 -22.338 -6.186 490 1HD LYS 59 2HD LYS 59 -15.234 -21.751 -6.127 491 2HD LYS 59 1HD LYS 59 -15.582 -20.782 -7.560 492 1HE LYS 59 2HE LYS 59 -16.029 -19.683 -4.775 493 2HE LYS 59 1HE LYS 59 -14.462 -19.543 -5.596 494 1HZ LYS 59 1HZ LYS 59 -17.097 -18.604 -6.598 495 2HZ LYS 59 2HZ LYS 59 -15.684 -18.644 -7.542 496 3HZ LYS 59 3HZ LYS 59 -15.767 -17.640 -6.173 497 H GLY 60 H GLY 60 -21.237 -23.001 -6.639 498 1HA GLY 60 2HA GLY 60 -21.138 -25.485 -7.537 499 2HA GLY 60 1HA GLY 60 -19.559 -25.450 -6.752 500 H PHE 61 H PHE 61 -20.812 -23.521 -4.702 501 HA PHE 61 HA PHE 61 -22.758 -25.178 -3.262 502 1HB PHE 61 2HB PHE 61 -19.873 -25.423 -2.903 503 2HB PHE 61 1HB PHE 61 -20.676 -24.977 -1.396 504 HD1 PHE 61 HD1 PHE 61 -19.638 -27.704 -3.273 505 HD2 PHE 61 HD2 PHE 61 -23.065 -26.284 -1.108 506 HE1 PHE 61 HE1 PHE 61 -20.434 -30.037 -3.002 507 HE2 PHE 61 HE2 PHE 61 -23.861 -28.618 -0.838 508 HZ PHE 61 HZ PHE 61 -22.546 -30.494 -1.785 509 H ASN 62 H ASN 62 -23.062 -24.145 -0.960 510 HA ASN 62 HA ASN 62 -22.302 -21.286 -0.874 511 1HB ASN 62 2HB ASN 62 -24.313 -21.196 -2.141 512 2HB ASN 62 1HB ASN 62 -25.111 -22.377 -1.118 513 1HD2 ASN 62 1HD2 ASN 62 -23.156 -19.635 0.086 514 2HD2 ASN 62 2HD2 ASN 62 -24.448 -18.825 0.831 515 HA PRO 63 HA PRO 63 -23.675 -22.366 3.494 516 1HB PRO 63 2HB PRO 63 -25.473 -24.367 3.967 517 2HB PRO 63 1HB PRO 63 -25.984 -22.709 3.588 518 1HG PRO 63 2HG PRO 63 -25.860 -25.099 1.828 519 2HG PRO 63 1HG PRO 63 -27.072 -23.814 1.894 520 1HD PRO 63 2HD PRO 63 -25.111 -23.952 0.000 521 2HD PRO 63 1HD PRO 63 -25.868 -22.439 0.540 522 H GLN 64 H GLN 64 -23.077 -24.751 1.137 523 HA GLN 64 HA GLN 64 -21.539 -26.502 1.038 524 1HB GLN 64 2HB GLN 64 -20.391 -24.831 2.676 525 2HB GLN 64 1HB GLN 64 -20.878 -25.980 3.924 526 1HG GLN 64 2HG GLN 64 -18.855 -26.931 3.405 527 2HG GLN 64 1HG GLN 64 -19.812 -27.700 2.139 528 1HE2 GLN 64 1HE2 GLN 64 -16.881 -26.473 2.366 529 2HE2 GLN 64 2HE2 GLN 64 -16.745 -25.613 0.909 530 H THR 65 H THR 65 -23.696 -27.635 1.023 531 HA THR 65 HA THR 65 -23.590 -30.019 2.564 532 HB THR 65 HB THR 65 -25.951 -29.125 3.727 533 HG1 THR 65 HG1 THR 65 -25.221 -27.148 4.734 534 1HG2 THR 65 1HG2 THR 65 -23.211 -29.765 4.553 535 2HG2 THR 65 2HG2 THR 65 -24.747 -30.255 5.267 536 3HG2 THR 65 3HG2 THR 65 -24.048 -28.689 5.673 537 H GLN 66 H GLN 66 -25.448 -27.768 0.597 538 HA GLN 66 HA GLN 66 -26.510 -29.860 -1.067 539 1HB GLN 66 2HB GLN 66 -28.808 -29.898 -0.283 540 2HB GLN 66 1HB GLN 66 -27.757 -30.226 1.088 541 1HG GLN 66 2HG GLN 66 -28.708 -27.424 0.468 542 2HG GLN 66 1HG GLN 66 -29.664 -28.528 1.451 543 1HE2 GLN 66 1HE2 GLN 66 -26.660 -26.653 1.359 544 2HE2 GLN 66 2HE2 GLN 66 -26.270 -26.856 2.999 545 H GLU 67 H GLU 67 -25.619 -26.758 -0.882 546 HA GLU 67 HA GLU 67 -27.703 -25.875 -2.854 547 1HB GLU 67 2HB GLU 67 -26.905 -24.808 -0.289 548 2HB GLU 67 1HB GLU 67 -26.571 -23.625 -1.554 549 1HG GLU 67 2HG GLU 67 -29.011 -24.396 -2.362 550 2HG GLU 67 1HG GLU 67 -29.181 -24.735 -0.639 551 H ALA 68 H ALA 68 -26.475 -26.199 -4.735 552 HA ALA 68 HA ALA 68 -23.757 -24.949 -4.852 553 1HB ALA 68 1HB ALA 68 -23.543 -26.441 -6.857 554 2HB ALA 68 2HB ALA 68 -25.177 -27.028 -6.545 555 3HB ALA 68 3HB ALA 68 -23.892 -27.330 -5.373 556 H LEU 69 H LEU 69 -24.250 -22.789 -5.379 557 HA LEU 69 HA LEU 69 -25.761 -22.374 -7.942 558 1HB LEU 69 2HB LEU 69 -25.530 -20.376 -5.689 559 2HB LEU 69 1HB LEU 69 -26.741 -20.443 -6.966 560 HG LEU 69 HG LEU 69 -27.071 -22.889 -5.762 561 1HD1 LEU 69 1HD1 LEU 69 -25.417 -21.972 -3.992 562 2HD1 LEU 69 2HD1 LEU 69 -26.917 -22.697 -3.414 563 3HD1 LEU 69 3HD1 LEU 69 -26.753 -20.943 -3.480 564 1HD2 LEU 69 1HD2 LEU 69 -28.469 -20.385 -4.801 565 2HD2 LEU 69 2HD2 LEU 69 -29.144 -22.004 -4.979 566 3HD2 LEU 69 3HD2 LEU 69 -28.744 -21.052 -6.410 567 H GLU 70 H GLU 70 -25.052 -19.509 -7.918 568 HA GLU 70 HA GLU 70 -22.125 -19.326 -7.905 569 1HB GLU 70 2HB GLU 70 -22.686 -20.686 -9.928 570 2HB GLU 70 1HB GLU 70 -23.647 -19.335 -10.528 571 1HG GLU 70 2HG GLU 70 -21.799 -18.056 -11.019 572 2HG GLU 70 1HG GLU 70 -20.846 -18.742 -9.704 573 H ILE 71 H ILE 71 -24.168 -17.707 -6.679 574 HA ILE 71 HA ILE 71 -23.844 -15.169 -8.210 575 HB ILE 71 HB ILE 71 -26.115 -14.648 -7.330 576 1HG1 ILE 71 2HG1 ILE 71 -27.442 -16.771 -6.663 577 2HG1 ILE 71 1HG1 ILE 71 -25.866 -17.456 -6.285 578 1HG2 ILE 71 1HG2 ILE 71 -25.611 -15.668 -9.596 579 2HG2 ILE 71 2HG2 ILE 71 -27.254 -15.913 -9.003 580 3HG2 ILE 71 3HG2 ILE 71 -26.073 -17.218 -8.895 581 1HD1 ILE 71 1HD1 ILE 71 -27.423 -15.768 -4.648 582 2HD1 ILE 71 2HD1 ILE 71 -26.063 -14.789 -5.193 583 3HD1 ILE 71 3HD1 ILE 71 -25.774 -16.311 -4.351 584 H ALA 72 H ALA 72 -23.429 -13.340 -6.991 585 HA ALA 72 HA ALA 72 -23.791 -12.718 -4.330 586 1HB ALA 72 1HB ALA 72 -22.425 -14.028 -3.103 587 2HB ALA 72 2HB ALA 72 -21.068 -13.672 -4.168 588 3HB ALA 72 3HB ALA 72 -22.154 -14.996 -4.548 589 HA PRO 73 HA PRO 73 -20.911 -9.510 -5.276 590 1HB PRO 73 2HB PRO 73 -19.234 -9.241 -3.159 591 2HB PRO 73 1HB PRO 73 -20.938 -8.762 -3.108 592 1HG PRO 73 2HG PRO 73 -19.605 -11.125 -1.955 593 2HG PRO 73 1HG PRO 73 -21.039 -10.249 -1.404 594 1HD PRO 73 2HD PRO 73 -21.021 -12.671 -2.776 595 2HD PRO 73 1HD PRO 73 -22.429 -11.615 -2.559 596 H SER 74 H SER 74 -18.703 -8.890 -5.658 597 HA SER 74 HA SER 74 -16.487 -10.671 -5.658 598 1HB SER 74 2HB SER 74 -16.807 -11.748 -7.613 599 2HB SER 74 1HB SER 74 -18.430 -11.083 -7.638 600 HG SER 74 HG SER 74 -16.894 -10.658 -9.477 601 H VAL 75 H VAL 75 -14.987 -9.157 -5.213 602 HA VAL 75 HA VAL 75 -14.032 -7.241 -7.099 603 HB VAL 75 HB VAL 75 -16.014 -6.291 -5.229 604 1HG1 VAL 75 1HG1 VAL 75 -14.922 -4.246 -4.549 605 2HG1 VAL 75 2HG1 VAL 75 -13.499 -4.641 -5.507 606 3HG1 VAL 75 3HG1 VAL 75 -13.874 -5.570 -4.058 607 1HG2 VAL 75 1HG2 VAL 75 -14.691 -5.361 -7.746 608 2HG2 VAL 75 2HG2 VAL 75 -15.744 -4.272 -6.844 609 3HG2 VAL 75 3HG2 VAL 75 -16.384 -5.783 -7.487 610 H GLY 76 H GLY 76 -11.926 -6.708 -6.540 611 1HA GLY 76 2HA GLY 76 -11.065 -7.340 -3.761 612 2HA GLY 76 1HA GLY 76 -10.309 -8.236 -5.074 613 H VAL 77 H VAL 77 -10.100 -5.506 -3.174 614 HA VAL 77 HA VAL 77 -8.742 -3.721 -5.056 615 HB VAL 77 HB VAL 77 -9.970 -2.876 -3.125 616 1HG1 VAL 77 1HG1 VAL 77 -8.474 -3.495 -0.871 617 2HG1 VAL 77 2HG1 VAL 77 -8.496 -5.021 -1.755 618 3HG1 VAL 77 3HG1 VAL 77 -10.011 -4.239 -1.309 619 1HG2 VAL 77 1HG2 VAL 77 -7.186 -2.454 -2.187 620 2HG2 VAL 77 2HG2 VAL 77 -8.436 -1.274 -2.576 621 3HG2 VAL 77 3HG2 VAL 77 -7.519 -2.043 -3.865 622 H SER 78 H SER 78 -7.153 -5.312 -5.874 623 HA SER 78 HA SER 78 -5.173 -6.495 -4.148 624 1HB SER 78 2HB SER 78 -5.382 -7.456 -6.274 625 2HB SER 78 1HB SER 78 -5.497 -5.895 -7.075 626 HG SER 78 HG SER 78 -3.455 -6.951 -7.366 627 H VAL 79 H VAL 79 -2.786 -5.838 -4.652 628 HA VAL 79 HA VAL 79 -2.020 -3.095 -5.106 629 HB VAL 79 HB VAL 79 -2.619 -4.119 -2.315 630 1HG1 VAL 79 1HG1 VAL 79 -0.625 -1.939 -2.977 631 2HG1 VAL 79 2HG1 VAL 79 -0.275 -3.474 -2.183 632 3HG1 VAL 79 3HG1 VAL 79 -1.261 -2.267 -1.369 633 1HG2 VAL 79 1HG2 VAL 79 -3.110 -1.436 -2.322 634 2HG2 VAL 79 2HG2 VAL 79 -4.312 -2.662 -2.717 635 3HG2 VAL 79 3HG2 VAL 79 -3.431 -1.842 -4.003 636 H LYS 80 H LYS 80 0.408 -2.904 -4.217 637 HA LYS 80 HA LYS 80 1.818 -5.195 -3.315 638 1HB LYS 80 2HB LYS 80 2.884 -5.866 -5.469 639 2HB LYS 80 1HB LYS 80 1.142 -6.119 -5.494 640 1HG LYS 80 2HG LYS 80 1.266 -3.564 -6.413 641 2HG LYS 80 1HG LYS 80 2.795 -4.194 -7.026 642 1HD LYS 80 2HD LYS 80 1.175 -6.257 -7.673 643 2HD LYS 80 1HD LYS 80 0.013 -4.933 -7.763 644 1HE LYS 80 2HE LYS 80 0.839 -4.652 -9.880 645 2HE LYS 80 1HE LYS 80 2.201 -3.860 -9.063 646 1HZ LYS 80 1HZ LYS 80 3.084 -5.615 -10.393 647 2HZ LYS 80 2HZ LYS 80 1.962 -6.734 -9.777 648 3HZ LYS 80 3HZ LYS 80 3.184 -6.110 -8.773 649 HA PRO 81 HA PRO 81 5.070 -2.173 -3.443 650 1HB PRO 81 2HB PRO 81 7.176 -3.825 -2.939 651 2HB PRO 81 1HB PRO 81 5.939 -3.453 -1.723 652 1HG PRO 81 2HG PRO 81 6.414 -5.936 -3.181 653 2HG PRO 81 1HG PRO 81 5.479 -5.657 -1.708 654 1HD PRO 81 2HD PRO 81 4.516 -5.947 -4.413 655 2HD PRO 81 1HD PRO 81 3.582 -5.791 -2.911 656 H GLY 82 H GLY 82 6.584 -1.315 -4.887 657 1HA GLY 82 2HA GLY 82 7.166 -2.921 -7.341 658 2HA GLY 82 1HA GLY 82 7.155 -1.158 -7.280 659 H GLU 83 H GLU 83 9.418 -1.698 -8.306 660 HA GLU 83 HA GLU 83 11.469 -2.666 -6.470 661 1HB GLU 83 2HB GLU 83 12.977 -1.958 -8.305 662 2HB GLU 83 1HB GLU 83 11.635 -2.938 -8.892 663 1HG GLU 83 2HG GLU 83 10.679 -0.299 -8.955 664 2HG GLU 83 1HG GLU 83 12.333 -0.194 -9.554 665 H SER 84 H SER 84 10.098 0.466 -7.274 666 HA SER 84 HA SER 84 12.167 2.214 -6.443 667 1HB SER 84 2HB SER 84 10.279 3.253 -7.341 668 2HB SER 84 1HB SER 84 9.167 2.217 -6.456 669 HG SER 84 HG SER 84 10.803 4.272 -5.366 670 H LEU 85 H LEU 85 10.052 0.116 -4.636 671 HA LEU 85 HA LEU 85 10.747 1.230 -2.001 672 1HB LEU 85 2HB LEU 85 8.821 -0.561 -3.244 673 2HB LEU 85 1HB LEU 85 9.525 -1.310 -1.815 674 HG LEU 85 HG LEU 85 8.428 1.504 -1.821 675 1HD1 LEU 85 1HD1 LEU 85 6.323 0.745 -1.525 676 2HD1 LEU 85 2HD1 LEU 85 6.852 -0.522 -0.420 677 3HD1 LEU 85 3HD1 LEU 85 6.908 -0.791 -2.163 678 1HD2 LEU 85 1HD2 LEU 85 9.237 1.553 0.288 679 2HD2 LEU 85 2HD2 LEU 85 9.954 -0.031 0.023 680 3HD2 LEU 85 3HD2 LEU 85 8.327 0.101 0.689 681 H LYS 86 H LYS 86 11.733 -1.394 -4.132 682 HA LYS 86 HA LYS 86 13.328 -2.701 -2.050 683 1HB LYS 86 2HB LYS 86 12.425 -3.172 -4.806 684 2HB LYS 86 1HB LYS 86 14.071 -3.732 -4.513 685 1HG LYS 86 2HG LYS 86 13.365 -5.453 -3.227 686 2HG LYS 86 1HG LYS 86 12.246 -4.426 -2.330 687 1HD LYS 86 2HD LYS 86 11.000 -6.142 -3.560 688 2HD LYS 86 1HD LYS 86 10.647 -4.549 -4.229 689 1HE LYS 86 2HE LYS 86 11.587 -5.066 -6.241 690 2HE LYS 86 1HE LYS 86 12.967 -5.884 -5.482 691 1HZ LYS 86 1HZ LYS 86 11.658 -7.792 -5.052 692 2HZ LYS 86 2HZ LYS 86 11.375 -7.390 -6.677 693 3HZ LYS 86 3HZ LYS 86 10.221 -7.008 -5.491 694 H LYS 87 H LYS 87 13.783 -0.419 -4.635 695 HA LYS 87 HA LYS 87 16.693 -0.544 -4.594 696 1HB LYS 87 2HB LYS 87 15.462 0.154 -6.590 697 2HB LYS 87 1HB LYS 87 14.632 1.415 -5.679 698 1HG LYS 87 2HG LYS 87 16.283 2.801 -6.378 699 2HG LYS 87 1HG LYS 87 17.312 1.974 -5.210 700 1HD LYS 87 2HD LYS 87 17.123 0.382 -7.607 701 2HD LYS 87 1HD LYS 87 17.603 2.025 -8.029 702 1HE LYS 87 2HE LYS 87 18.963 0.848 -5.656 703 2HE LYS 87 1HE LYS 87 19.399 0.168 -7.237 704 1HZ LYS 87 1HZ LYS 87 19.410 3.036 -6.463 705 2HZ LYS 87 2HZ LYS 87 19.624 2.481 -8.054 706 3HZ LYS 87 3HZ LYS 87 20.759 2.084 -6.854 707 H ALA 88 H ALA 88 14.101 1.379 -3.150 708 HA ALA 88 HA ALA 88 15.806 3.286 -1.804 709 1HB ALA 88 1HB ALA 88 13.683 3.469 -0.371 710 2HB ALA 88 2HB ALA 88 13.010 2.191 -1.380 711 3HB ALA 88 3HB ALA 88 13.460 3.738 -2.099 712 H ALA 89 H ALA 89 14.602 0.033 -1.145 713 HA ALA 89 HA ALA 89 15.522 -0.028 1.607 714 1HB ALA 89 1HB ALA 89 14.333 -1.898 -0.371 715 2HB ALA 89 2HB ALA 89 13.898 -1.618 1.315 716 3HB ALA 89 3HB ALA 89 15.279 -2.641 0.920 717 H GLU 90 H GLU 90 16.941 -0.604 -1.535 718 HA GLU 90 HA GLU 90 19.282 -2.062 -0.789 719 1HB GLU 90 2HB GLU 90 18.243 -0.678 -3.026 720 2HB GLU 90 1HB GLU 90 19.760 0.140 -2.655 721 1HG GLU 90 2HG GLU 90 19.970 -2.782 -2.507 722 2HG GLU 90 1HG GLU 90 19.517 -2.205 -4.109 723 H GLY 91 H GLY 91 18.210 1.270 -0.500 724 1HA GLY 91 2HA GLY 91 20.642 2.420 0.542 725 2HA GLY 91 1HA GLY 91 19.016 3.068 0.793 726 H LEU 92 H LEU 92 17.702 1.080 2.177 727 HA LEU 92 HA LEU 92 18.416 1.320 4.861 728 1HB LEU 92 2HB LEU 92 16.734 -0.339 3.147 729 2HB LEU 92 1HB LEU 92 17.304 -1.243 4.548 730 HG LEU 92 HG LEU 92 15.915 1.409 4.574 731 1HD1 LEU 92 1HD1 LEU 92 14.683 -0.886 4.150 732 2HD1 LEU 92 2HD1 LEU 92 13.991 0.294 5.264 733 3HD1 LEU 92 3HD1 LEU 92 14.900 -1.081 5.889 734 1HD2 LEU 92 1HD2 LEU 92 17.271 1.540 6.469 735 2HD2 LEU 92 2HD2 LEU 92 17.297 -0.210 6.684 736 3HD2 LEU 92 3HD2 LEU 92 15.864 0.713 7.136 737 H LYS 93 H LYS 93 20.094 -0.496 2.460 738 HA LYS 93 HA LYS 93 22.054 -1.816 2.659 739 1HB LYS 93 2HB LYS 93 22.117 -0.261 4.878 740 2HB LYS 93 1HB LYS 93 21.874 -1.832 5.641 741 1HG LYS 93 2HG LYS 93 24.216 -1.670 5.505 742 2HG LYS 93 1HG LYS 93 23.801 -2.631 4.085 743 1HD LYS 93 2HD LYS 93 25.053 -1.083 2.975 744 2HD LYS 93 1HD LYS 93 23.584 -0.110 3.068 745 1HE LYS 93 2HE LYS 93 24.954 1.420 4.090 746 2HE LYS 93 1HE LYS 93 24.735 0.392 5.520 747 1HZ LYS 93 1HZ LYS 93 27.083 0.660 5.044 748 2HZ LYS 93 2HZ LYS 93 26.857 0.092 3.459 749 3HZ LYS 93 3HZ LYS 93 26.621 -0.951 4.780 750 H TYR 94 H TYR 94 19.932 -3.089 1.997 751 HA TYR 94 HA TYR 94 18.415 -4.823 3.426 752 1HB TYR 94 2HB TYR 94 18.353 -4.744 1.041 753 2HB TYR 94 1HB TYR 94 20.033 -5.268 0.914 754 HD1 TYR 94 HD1 TYR 94 16.597 -6.320 1.747 755 HD2 TYR 94 HD2 TYR 94 20.652 -7.554 1.173 756 HE1 TYR 94 HE1 TYR 94 15.866 -8.706 1.716 757 HE2 TYR 94 HE2 TYR 94 19.939 -9.935 1.154 758 HH TYR 94 HH TYR 94 17.911 -11.249 2.133 759 H GLU 95 H GLU 95 21.879 -5.337 2.744 760 HA GLU 95 HA GLU 95 22.169 -7.951 3.780 761 1HB GLU 95 2HB GLU 95 24.531 -7.252 4.133 762 2HB GLU 95 1HB GLU 95 23.910 -6.730 2.567 763 1HG GLU 95 2HG GLU 95 23.322 -4.512 3.703 764 2HG GLU 95 1HG GLU 95 24.308 -5.060 5.057 765 H ASP 96 H ASP 96 22.270 -4.821 5.481 766 HA ASP 96 HA ASP 96 22.823 -5.851 8.103 767 1HB ASP 96 2HB ASP 96 21.712 -3.385 6.845 768 2HB ASP 96 1HB ASP 96 21.344 -3.621 8.554 769 H PHE 97 H PHE 97 19.899 -5.399 6.201 770 HA PHE 97 HA PHE 97 18.016 -6.143 8.290 771 1HB PHE 97 2HB PHE 97 17.983 -5.015 5.750 772 2HB PHE 97 1HB PHE 97 17.269 -6.603 5.481 773 HD1 PHE 97 HD1 PHE 97 15.751 -7.231 7.802 774 HD2 PHE 97 HD2 PHE 97 16.334 -3.392 5.965 775 HE1 PHE 97 HE1 PHE 97 13.610 -6.441 8.774 776 HE2 PHE 97 HE2 PHE 97 14.193 -2.602 6.937 777 HZ PHE 97 HZ PHE 97 12.832 -4.126 8.343 778 H ALA 98 H ALA 98 19.954 -7.828 5.898 779 HA ALA 98 HA ALA 98 18.584 -10.343 5.854 780 1HB ALA 98 1HB ALA 98 20.322 -10.864 4.460 781 2HB ALA 98 2HB ALA 98 21.532 -10.321 5.623 782 3HB ALA 98 3HB ALA 98 20.706 -9.148 4.596 783 H LYS 99 H LYS 99 21.657 -9.592 7.504 784 HA LYS 99 HA LYS 99 21.661 -11.903 9.184 785 1HB LYS 99 2HB LYS 99 23.296 -9.715 8.586 786 2HB LYS 99 1HB LYS 99 22.956 -9.532 10.308 787 1HG LYS 99 2HG LYS 99 24.720 -10.983 10.499 788 2HG LYS 99 1HG LYS 99 23.456 -12.184 10.237 789 1HD LYS 99 2HD LYS 99 25.204 -12.720 8.693 790 2HD LYS 99 1HD LYS 99 23.931 -11.954 7.742 791 1HE LYS 99 2HE LYS 99 25.857 -10.816 6.999 792 2HE LYS 99 1HE LYS 99 25.270 -9.737 8.280 793 1HZ LYS 99 1HZ LYS 99 26.719 -10.750 9.847 794 2HZ LYS 99 2HZ LYS 99 27.663 -10.369 8.487 795 3HZ LYS 99 3HZ LYS 99 27.166 -11.971 8.757 796 1H MET 1 1H MET 1 -5.259 6.374 -9.160 797 2H MET 1 2H MET 1 -5.159 6.626 -10.837 798 3H MET 1 3H MET 1 -6.437 7.306 -9.949 799 HA MET 1 HA MET 1 -4.787 9.005 -10.475 800 1HB MET 1 2HB MET 1 -5.267 8.008 -7.674 801 2HB MET 1 1HB MET 1 -4.334 9.479 -7.945 802 1HG MET 1 2HG MET 1 -6.181 10.675 -8.419 803 2HG MET 1 1HG MET 1 -6.771 9.449 -9.540 804 1HE MET 1 1HE MET 1 -5.917 8.310 -5.820 805 2HE MET 1 2HE MET 1 -7.134 9.264 -4.976 806 3HE MET 1 3HE MET 1 -5.908 10.074 -5.948 807 H ASN 2 H ASN 2 -2.651 9.716 -8.891 808 HA ASN 2 HA ASN 2 -0.708 7.639 -8.500 809 1HB ASN 2 2HB ASN 2 -1.152 7.989 -11.099 810 2HB ASN 2 1HB ASN 2 -0.040 9.337 -10.871 811 1HD2 ASN 2 1HD2 ASN 2 0.722 7.117 -12.479 812 2HD2 ASN 2 2HD2 ASN 2 1.960 6.267 -11.688 813 H LYS 3 H LYS 3 1.651 9.095 -9.060 814 HA LYS 3 HA LYS 3 1.939 10.757 -6.788 815 1HB LYS 3 2HB LYS 3 3.521 9.715 -8.815 816 2HB LYS 3 1HB LYS 3 3.646 11.453 -9.079 817 1HG LYS 3 2HG LYS 3 4.800 11.798 -7.134 818 2HG LYS 3 1HG LYS 3 3.873 10.589 -6.251 819 1HD LYS 3 2HD LYS 3 5.177 8.794 -7.129 820 2HD LYS 3 1HD LYS 3 5.891 9.820 -8.368 821 1HE LYS 3 2HE LYS 3 6.344 10.333 -5.403 822 2HE LYS 3 1HE LYS 3 7.419 9.305 -6.368 823 1HZ LYS 3 1HZ LYS 3 8.232 11.537 -6.481 824 2HZ LYS 3 2HZ LYS 3 6.703 12.141 -6.909 825 3HZ LYS 3 3HZ LYS 3 7.563 11.154 -7.991 826 H THR 4 H THR 4 0.049 11.466 -9.483 827 HA THR 4 HA THR 4 0.343 14.416 -9.047 828 HB THR 4 HB THR 4 -0.345 12.799 -11.520 829 HG1 THR 4 HG1 THR 4 1.807 14.544 -10.918 830 1HG2 THR 4 1HG2 THR 4 0.109 15.496 -12.191 831 2HG2 THR 4 2HG2 THR 4 -0.991 15.531 -10.814 832 3HG2 THR 4 3HG2 THR 4 -1.422 14.627 -12.266 833 H GLU 5 H GLU 5 -2.010 12.075 -10.393 834 HA GLU 5 HA GLU 5 -4.349 13.568 -9.971 835 1HB GLU 5 2HB GLU 5 -3.945 10.581 -9.686 836 2HB GLU 5 1HB GLU 5 -5.469 11.380 -10.057 837 1HG GLU 5 2HG GLU 5 -3.753 12.411 -11.970 838 2HG GLU 5 1HG GLU 5 -3.225 10.735 -11.831 839 H LEU 6 H LEU 6 -2.772 11.253 -7.740 840 HA LEU 6 HA LEU 6 -4.609 11.606 -5.572 841 1HB LEU 6 2HB LEU 6 -1.782 10.697 -5.942 842 2HB LEU 6 1HB LEU 6 -2.332 11.011 -4.300 843 HG LEU 6 HG LEU 6 -4.066 9.370 -6.106 844 1HD1 LEU 6 1HD1 LEU 6 -2.011 7.990 -4.431 845 2HD1 LEU 6 2HD1 LEU 6 -1.509 8.623 -5.999 846 3HD1 LEU 6 3HD1 LEU 6 -2.811 7.438 -5.902 847 1HD2 LEU 6 1HD2 LEU 6 -4.778 8.404 -4.015 848 2HD2 LEU 6 2HD2 LEU 6 -4.723 10.151 -3.784 849 3HD2 LEU 6 3HD2 LEU 6 -3.424 9.136 -3.154 850 H ILE 7 H ILE 7 -1.785 13.577 -6.586 851 HA ILE 7 HA ILE 7 -1.580 15.111 -4.193 852 HB ILE 7 HB ILE 7 -0.295 16.623 -5.456 853 1HG1 ILE 7 2HG1 ILE 7 -0.648 16.070 -8.180 854 2HG1 ILE 7 1HG1 ILE 7 -2.271 16.214 -7.527 855 1HG2 ILE 7 1HG2 ILE 7 -0.032 14.169 -7.152 856 2HG2 ILE 7 2HG2 ILE 7 0.411 14.156 -5.449 857 3HG2 ILE 7 3HG2 ILE 7 1.233 15.242 -6.564 858 1HD1 ILE 7 1HD1 ILE 7 -1.699 18.377 -6.513 859 2HD1 ILE 7 2HD1 ILE 7 -1.406 18.408 -8.253 860 3HD1 ILE 7 3HD1 ILE 7 -0.054 18.234 -7.133 861 H LYS 8 H LYS 8 -3.633 15.524 -7.051 862 HA LYS 8 HA LYS 8 -4.948 17.902 -6.079 863 1HB LYS 8 2HB LYS 8 -5.931 17.746 -8.138 864 2HB LYS 8 1HB LYS 8 -4.870 16.368 -8.409 865 1HG LYS 8 2HG LYS 8 -6.625 14.877 -7.433 866 2HG LYS 8 1HG LYS 8 -7.693 16.274 -7.301 867 1HD LYS 8 2HD LYS 8 -8.375 15.696 -9.388 868 2HD LYS 8 1HD LYS 8 -6.871 16.449 -9.917 869 1HE LYS 8 2HE LYS 8 -5.979 14.449 -10.525 870 2HE LYS 8 1HE LYS 8 -6.497 13.675 -9.014 871 1HZ LYS 8 1HZ LYS 8 -7.735 12.739 -10.837 872 2HZ LYS 8 2HZ LYS 8 -8.206 14.283 -11.370 873 3HZ LYS 8 3HZ LYS 8 -8.783 13.679 -9.890 874 H ALA 9 H ALA 9 -5.365 14.433 -5.654 875 HA ALA 9 HA ALA 9 -7.948 14.405 -4.420 876 1HB ALA 9 1HB ALA 9 -6.273 12.559 -5.271 877 2HB ALA 9 2HB ALA 9 -7.351 12.197 -3.923 878 3HB ALA 9 3HB ALA 9 -5.668 12.624 -3.616 879 H ILE 10 H ILE 10 -4.709 15.169 -3.229 880 HA ILE 10 HA ILE 10 -5.712 15.429 -0.467 881 HB ILE 10 HB ILE 10 -3.165 14.953 -1.915 882 1HG1 ILE 10 2HG1 ILE 10 -2.656 13.821 0.304 883 2HG1 ILE 10 1HG1 ILE 10 -4.274 14.301 0.821 884 1HG2 ILE 10 1HG2 ILE 10 -1.949 15.896 0.237 885 2HG2 ILE 10 2HG2 ILE 10 -3.333 16.981 0.273 886 3HG2 ILE 10 3HG2 ILE 10 -2.282 16.948 -1.138 887 1HD1 ILE 10 1HD1 ILE 10 -3.498 12.089 -0.866 888 2HD1 ILE 10 2HD1 ILE 10 -4.588 13.159 -1.747 889 3HD1 ILE 10 3HD1 ILE 10 -5.086 12.468 -0.203 890 H ALA 11 H ALA 11 -4.535 17.179 -3.283 891 HA ALA 11 HA ALA 11 -4.263 19.787 -2.071 892 1HB ALA 11 1HB ALA 11 -5.160 19.198 -4.890 893 2HB ALA 11 2HB ALA 11 -3.517 18.827 -4.366 894 3HB ALA 11 3HB ALA 11 -4.101 20.488 -4.329 895 H GLN 12 H GLN 12 -6.978 17.899 -3.248 896 HA GLN 12 HA GLN 12 -8.822 20.186 -2.932 897 1HB GLN 12 2HB GLN 12 -10.393 18.746 -4.023 898 2HB GLN 12 1HB GLN 12 -8.853 18.362 -4.786 899 1HG GLN 12 2HG GLN 12 -8.589 16.400 -3.349 900 2HG GLN 12 1HG GLN 12 -10.070 16.806 -2.482 901 1HE2 GLN 12 1HE2 GLN 12 -11.871 17.426 -4.471 902 2HE2 GLN 12 2HE2 GLN 12 -12.079 16.113 -5.526 903 H ASP 13 H ASP 13 -7.977 17.091 -1.393 904 HA ASP 13 HA ASP 13 -10.015 17.255 0.673 905 1HB ASP 13 2HB ASP 13 -7.389 15.812 0.262 906 2HB ASP 13 1HB ASP 13 -8.252 15.677 1.793 907 H THR 14 H THR 14 -6.952 18.714 0.008 908 HA THR 14 HA THR 14 -6.586 19.782 2.741 909 HB THR 14 HB THR 14 -4.588 20.842 1.518 910 HG1 THR 14 HG1 THR 14 -4.429 20.589 -0.509 911 1HG2 THR 14 1HG2 THR 14 -5.078 18.056 2.176 912 2HG2 THR 14 2HG2 THR 14 -3.658 19.049 2.491 913 3HG2 THR 14 3HG2 THR 14 -3.838 18.247 0.940 914 H GLY 15 H GLY 15 -6.186 21.339 -0.420 915 1HA GLY 15 2HA GLY 15 -6.996 23.405 -1.224 916 2HA GLY 15 1HA GLY 15 -8.442 23.110 -0.254 917 H LEU 16 H LEU 16 -5.593 22.983 1.579 918 HA LEU 16 HA LEU 16 -6.289 25.426 3.054 919 1HB LEU 16 2HB LEU 16 -3.922 23.527 3.238 920 2HB LEU 16 1HB LEU 16 -4.347 24.740 4.440 921 HG LEU 16 HG LEU 16 -6.706 23.372 4.150 922 1HD1 LEU 16 1HD1 LEU 16 -5.060 21.748 2.805 923 2HD1 LEU 16 2HD1 LEU 16 -6.359 21.120 3.814 924 3HD1 LEU 16 3HD1 LEU 16 -4.713 21.181 4.431 925 1HD2 LEU 16 1HD2 LEU 16 -5.493 22.030 6.223 926 2HD2 LEU 16 2HD2 LEU 16 -6.195 23.641 6.367 927 3HD2 LEU 16 3HD2 LEU 16 -4.465 23.456 6.080 928 H THR 17 H THR 17 -3.306 24.274 1.545 929 HA THR 17 HA THR 17 -2.789 26.996 0.487 930 HB THR 17 HB THR 17 -1.747 26.129 2.828 931 HG1 THR 17 HG1 THR 17 -1.359 28.168 2.148 932 1HG2 THR 17 1HG2 THR 17 -0.619 24.215 1.778 933 2HG2 THR 17 2HG2 THR 17 0.554 25.349 2.440 934 3HG2 THR 17 3HG2 THR 17 0.258 25.307 0.706 935 H GLN 18 H GLN 18 -3.165 23.813 -0.217 936 HA GLN 18 HA GLN 18 -2.364 22.395 -1.924 937 1HB GLN 18 2HB GLN 18 -1.258 24.899 -3.207 938 2HB GLN 18 1HB GLN 18 -1.990 23.500 -3.993 939 1HG GLN 18 2HG GLN 18 -4.100 24.255 -2.544 940 2HG GLN 18 1HG GLN 18 -3.302 25.825 -2.653 941 1HE2 GLN 18 1HE2 GLN 18 -5.821 24.761 -4.039 942 2HE2 GLN 18 2HE2 GLN 18 -5.539 25.038 -5.690 943 H VAL 19 H VAL 19 -0.810 23.191 0.388 944 HA VAL 19 HA VAL 19 1.671 23.794 0.680 945 HB VAL 19 HB VAL 19 0.734 22.293 2.245 946 1HG1 VAL 19 1HG1 VAL 19 0.436 19.778 1.427 947 2HG1 VAL 19 2HG1 VAL 19 0.241 20.563 -0.139 948 3HG1 VAL 19 3HG1 VAL 19 -0.831 20.976 1.191 949 1HG2 VAL 19 1HG2 VAL 19 3.262 21.575 1.133 950 2HG2 VAL 19 2HG2 VAL 19 2.428 20.090 1.577 951 3HG2 VAL 19 3HG2 VAL 19 2.699 21.345 2.785 952 H SER 20 H SER 20 1.987 20.554 -0.406 953 HA SER 20 HA SER 20 3.520 21.352 -2.791 954 1HB SER 20 2HB SER 20 4.308 20.037 -0.293 955 2HB SER 20 1HB SER 20 4.782 19.140 -1.717 956 HG SER 20 HG SER 20 6.314 20.757 -0.988 957 H VAL 21 H VAL 21 0.746 20.211 -2.104 958 HA VAL 21 HA VAL 21 0.037 17.708 -2.273 959 HB VAL 21 HB VAL 21 -1.410 18.254 -4.264 960 1HG1 VAL 21 1HG1 VAL 21 -1.128 19.976 -1.844 961 2HG1 VAL 21 2HG1 VAL 21 -2.455 18.919 -2.320 962 3HG1 VAL 21 3HG1 VAL 21 -2.257 20.490 -3.096 963 1HG2 VAL 21 1HG2 VAL 21 0.281 20.768 -4.227 964 2HG2 VAL 21 2HG2 VAL 21 -1.243 20.618 -5.101 965 3HG2 VAL 21 3HG2 VAL 21 0.135 19.614 -5.552 966 H SER 22 H SER 22 1.913 19.253 -4.747 967 HA SER 22 HA SER 22 2.287 16.768 -6.316 968 1HB SER 22 2HB SER 22 2.685 19.636 -6.589 969 2HB SER 22 1HB SER 22 4.112 18.753 -7.124 970 HG SER 22 HG SER 22 1.987 19.133 -8.505 971 H LYS 23 H LYS 23 4.146 18.789 -4.079 972 HA LYS 23 HA LYS 23 6.500 17.043 -4.294 973 1HB LYS 23 2HB LYS 23 5.778 19.701 -3.296 974 2HB LYS 23 1HB LYS 23 6.951 18.862 -2.282 975 1HG LYS 23 2HG LYS 23 8.414 18.510 -4.194 976 2HG LYS 23 1HG LYS 23 7.212 19.203 -5.283 977 1HD LYS 23 2HD LYS 23 8.723 20.639 -3.082 978 2HD LYS 23 1HD LYS 23 8.855 20.917 -4.818 979 1HE LYS 23 2HE LYS 23 6.140 21.237 -4.383 980 2HE LYS 23 1HE LYS 23 6.857 21.941 -2.920 981 1HZ LYS 23 1HZ LYS 23 8.463 23.094 -4.418 982 2HZ LYS 23 2HZ LYS 23 6.858 23.628 -4.580 983 3HZ LYS 23 3HZ LYS 23 7.531 22.585 -5.740 984 H MET 24 H MET 24 3.791 17.558 -2.009 985 HA MET 24 HA MET 24 5.163 16.005 0.067 986 1HB MET 24 2HB MET 24 2.529 15.932 0.802 987 2HB MET 24 1HB MET 24 3.632 17.229 1.222 988 1HG MET 24 2HG MET 24 2.603 18.714 -0.165 989 2HG MET 24 1HG MET 24 2.340 17.498 -1.416 990 1HE MET 24 1HE MET 24 -0.508 16.073 -1.414 991 2HE MET 24 2HE MET 24 0.146 15.159 -0.060 992 3HE MET 24 3HE MET 24 1.227 15.749 -1.318 993 H LEU 25 H LEU 25 2.760 15.353 -2.513 994 HA LEU 25 HA LEU 25 2.434 12.570 -1.643 995 1HB LEU 25 2HB LEU 25 1.771 14.180 -4.106 996 2HB LEU 25 1HB LEU 25 1.497 12.441 -4.053 997 HG LEU 25 HG LEU 25 0.026 14.630 -2.701 998 1HD1 LEU 25 1HD1 LEU 25 -0.670 12.848 -4.523 999 2HD1 LEU 25 2HD1 LEU 25 -1.816 13.355 -3.282 1000 3HD1 LEU 25 3HD1 LEU 25 -0.948 11.831 -3.112 1001 1HD2 LEU 25 1HD2 LEU 25 1.034 13.576 -0.721 1002 2HD2 LEU 25 2HD2 LEU 25 0.561 11.983 -1.308 1003 3HD2 LEU 25 3HD2 LEU 25 -0.673 13.143 -0.821 1004 H ALA 26 H ALA 26 4.324 14.346 -4.083 1005 HA ALA 26 HA ALA 26 5.684 12.094 -5.221 1006 1HB ALA 26 1HB ALA 26 5.744 14.305 -6.240 1007 2HB ALA 26 2HB ALA 26 7.394 13.892 -5.775 1008 3HB ALA 26 3HB ALA 26 6.450 15.003 -4.783 1009 H SER 27 H SER 27 6.109 14.015 -2.306 1010 HA SER 27 HA SER 27 8.643 12.767 -1.536 1011 1HB SER 27 2HB SER 27 6.631 14.635 -0.278 1012 2HB SER 27 1HB SER 27 7.969 13.984 0.661 1013 HG SER 27 HG SER 27 8.549 15.955 -0.291 1014 H PHE 28 H PHE 28 5.191 12.421 -0.840 1015 HA PHE 28 HA PHE 28 5.315 10.582 1.338 1016 1HB PHE 28 2HB PHE 28 3.145 11.200 1.018 1017 2HB PHE 28 1HB PHE 28 3.413 11.533 -0.686 1018 HD1 PHE 28 HD1 PHE 28 2.450 8.949 1.775 1019 HD2 PHE 28 HD2 PHE 28 3.110 9.760 -2.393 1020 HE1 PHE 28 HE1 PHE 28 1.221 6.906 1.173 1021 HE2 PHE 28 HE2 PHE 28 1.883 7.716 -2.983 1022 HZ PHE 28 HZ PHE 28 0.931 6.279 -1.197 1023 H GLU 29 H GLU 29 5.401 10.122 -2.157 1024 HA GLU 29 HA GLU 29 5.541 7.231 -1.991 1025 1HB GLU 29 2HB GLU 29 5.543 9.427 -3.979 1026 2HB GLU 29 1HB GLU 29 6.399 7.963 -4.477 1027 1HG GLU 29 2HG GLU 29 4.516 6.694 -4.456 1028 2HG GLU 29 1HG GLU 29 3.829 7.562 -3.097 1029 H LYS 30 H LYS 30 7.683 9.951 -2.213 1030 HA LYS 30 HA LYS 30 10.122 8.440 -2.597 1031 1HB LYS 30 2HB LYS 30 9.887 10.844 -3.130 1032 2HB LYS 30 1HB LYS 30 9.577 11.190 -1.427 1033 1HG LYS 30 2HG LYS 30 11.790 10.424 -0.804 1034 2HG LYS 30 1HG LYS 30 12.109 9.880 -2.451 1035 1HD LYS 30 2HD LYS 30 12.550 11.990 -3.202 1036 2HD LYS 30 1HD LYS 30 11.293 12.715 -2.200 1037 1HE LYS 30 2HE LYS 30 13.483 13.467 -1.395 1038 2HE LYS 30 1HE LYS 30 12.788 12.361 -0.194 1039 1HZ LYS 30 1HZ LYS 30 15.094 11.776 -0.772 1040 2HZ LYS 30 2HZ LYS 30 14.622 11.549 -2.388 1041 3HZ LYS 30 3HZ LYS 30 14.001 10.541 -1.169 1042 H ILE 31 H ILE 31 8.144 9.416 0.173 1043 HA ILE 31 HA ILE 31 10.204 8.449 2.075 1044 HB ILE 31 HB ILE 31 8.524 9.230 3.745 1045 1HG1 ILE 31 2HG1 ILE 31 6.874 10.896 2.360 1046 2HG1 ILE 31 1HG1 ILE 31 6.914 9.459 1.351 1047 1HG2 ILE 31 1HG2 ILE 31 9.899 10.880 1.744 1048 2HG2 ILE 31 2HG2 ILE 31 9.982 10.946 3.504 1049 3HG2 ILE 31 3HG2 ILE 31 8.645 11.720 2.654 1050 1HD1 ILE 31 1HD1 ILE 31 6.018 9.714 4.200 1051 2HD1 ILE 31 2HD1 ILE 31 6.575 8.161 3.581 1052 3HD1 ILE 31 3HD1 ILE 31 5.185 8.956 2.844 1053 H ILE 32 H ILE 32 7.019 7.609 0.826 1054 HA ILE 32 HA ILE 32 6.454 5.420 2.574 1055 HB ILE 32 HB ILE 32 5.833 5.988 -0.352 1056 1HG1 ILE 32 2HG1 ILE 32 4.894 7.236 1.892 1057 2HG1 ILE 32 1HG1 ILE 32 3.967 7.069 0.405 1058 1HG2 ILE 32 1HG2 ILE 32 4.012 4.224 0.000 1059 2HG2 ILE 32 2HG2 ILE 32 4.894 3.732 1.446 1060 3HG2 ILE 32 3HG2 ILE 32 5.660 3.612 -0.138 1061 1HD1 ILE 32 1HD1 ILE 32 2.789 6.371 2.571 1062 2HD1 ILE 32 2HD1 ILE 32 3.880 4.985 2.587 1063 3HD1 ILE 32 3HD1 ILE 32 2.754 5.206 1.247 1064 H THR 33 H THR 33 7.743 5.423 -0.720 1065 HA THR 33 HA THR 33 8.650 2.777 -0.722 1066 HB THR 33 HB THR 33 8.568 4.946 -2.460 1067 HG1 THR 33 HG1 THR 33 9.452 3.351 -3.935 1068 1HG2 THR 33 1HG2 THR 33 10.811 5.648 -1.711 1069 2HG2 THR 33 2HG2 THR 33 10.843 5.099 -3.386 1070 3HG2 THR 33 3HG2 THR 33 11.439 4.048 -2.102 1071 H GLU 34 H GLU 34 10.189 5.791 0.266 1072 HA GLU 34 HA GLU 34 12.781 4.679 0.818 1073 1HB GLU 34 2HB GLU 34 11.216 7.146 1.448 1074 2HB GLU 34 1HB GLU 34 12.725 6.874 2.310 1075 1HG GLU 34 2HG GLU 34 12.517 6.702 -0.712 1076 2HG GLU 34 1HG GLU 34 12.942 8.195 0.130 1077 H THR 35 H THR 35 10.118 5.594 3.104 1078 HA THR 35 HA THR 35 11.302 4.771 5.485 1079 HB THR 35 HB THR 35 8.421 4.304 4.690 1080 HG1 THR 35 HG1 THR 35 8.428 6.390 4.508 1081 1HG2 THR 35 1HG2 THR 35 9.251 3.281 6.835 1082 2HG2 THR 35 2HG2 THR 35 7.988 4.490 7.065 1083 3HG2 THR 35 3HG2 THR 35 9.673 4.903 7.382 1084 H VAL 36 H VAL 36 9.102 2.541 3.683 1085 HA VAL 36 HA VAL 36 9.740 0.227 5.180 1086 HB VAL 36 HB VAL 36 8.824 0.896 2.449 1087 1HG1 VAL 36 1HG1 VAL 36 10.606 -0.535 1.727 1088 2HG1 VAL 36 2HG1 VAL 36 9.137 -1.507 1.690 1089 3HG1 VAL 36 3HG1 VAL 36 10.277 -1.690 3.016 1090 1HG2 VAL 36 1HG2 VAL 36 8.028 -1.534 3.994 1091 2HG2 VAL 36 2HG2 VAL 36 7.028 -0.437 3.047 1092 3HG2 VAL 36 3HG2 VAL 36 7.600 0.047 4.644 1093 H ALA 37 H ALA 37 11.350 1.661 2.421 1094 HA ALA 37 HA ALA 37 13.596 -0.228 2.634 1095 1HB ALA 37 1HB ALA 37 13.442 0.096 0.435 1096 2HB ALA 37 2HB ALA 37 13.880 1.784 0.660 1097 3HB ALA 37 3HB ALA 37 12.196 1.297 0.687 1098 H LYS 38 H LYS 38 12.892 2.262 4.488 1099 HA LYS 38 HA LYS 38 15.682 3.378 4.467 1100 1HB LYS 38 2HB LYS 38 12.997 4.664 4.820 1101 2HB LYS 38 1HB LYS 38 14.358 5.323 5.715 1102 1HG LYS 38 2HG LYS 38 14.297 4.909 2.711 1103 2HG LYS 38 1HG LYS 38 14.072 6.453 3.529 1104 1HD LYS 38 2HD LYS 38 16.294 6.739 3.707 1105 2HD LYS 38 1HD LYS 38 16.464 5.184 4.523 1106 1HE LYS 38 2HE LYS 38 16.284 4.125 2.171 1107 2HE LYS 38 1HE LYS 38 16.591 5.763 1.557 1108 1HZ LYS 38 1HZ LYS 38 18.506 5.846 3.141 1109 2HZ LYS 38 2HZ LYS 38 18.697 4.740 1.866 1110 3HZ LYS 38 3HZ LYS 38 18.284 4.187 3.419 1111 H GLY 39 H GLY 39 12.989 2.061 6.291 1112 1HA GLY 39 2HA GLY 39 14.181 0.723 8.211 1113 2HA GLY 39 1HA GLY 39 14.554 2.346 8.774 1114 H ASP 40 H ASP 40 11.457 1.183 7.332 1115 HA ASP 40 HA ASP 40 10.131 0.996 9.903 1116 1HB ASP 40 2HB ASP 40 10.498 3.609 8.650 1117 2HB ASP 40 1HB ASP 40 8.799 3.256 8.967 1118 H LYS 41 H LYS 41 7.995 0.267 9.684 1119 HA LYS 41 HA LYS 41 7.103 -0.405 6.930 1120 1HB LYS 41 2HB LYS 41 6.340 -1.447 9.684 1121 2HB LYS 41 1HB LYS 41 5.735 -2.088 8.157 1122 1HG LYS 41 2HG LYS 41 7.634 -3.257 7.768 1123 2HG LYS 41 1HG LYS 41 8.662 -1.908 8.249 1124 1HD LYS 41 2HD LYS 41 8.024 -2.453 10.660 1125 2HD LYS 41 1HD LYS 41 7.335 -3.953 10.038 1126 1HE LYS 41 2HE LYS 41 9.392 -4.897 9.958 1127 2HE LYS 41 1HE LYS 41 9.989 -3.571 8.939 1128 1HZ LYS 41 1HZ LYS 41 9.696 -3.515 11.897 1129 2HZ LYS 41 2HZ LYS 41 10.174 -2.195 10.940 1130 3HZ LYS 41 3HZ LYS 41 11.159 -3.575 11.041 1131 H VAL 42 H VAL 42 5.677 1.065 6.182 1132 HA VAL 42 HA VAL 42 4.094 2.735 8.043 1133 HB VAL 42 HB VAL 42 4.028 2.696 5.018 1134 1HG1 VAL 42 1HG1 VAL 42 3.184 4.556 7.198 1135 2HG1 VAL 42 2HG1 VAL 42 2.374 4.167 5.681 1136 3HG1 VAL 42 3HG1 VAL 42 3.761 5.254 5.685 1137 1HG2 VAL 42 1HG2 VAL 42 5.736 4.709 5.594 1138 2HG2 VAL 42 2HG2 VAL 42 6.289 3.073 5.242 1139 3HG2 VAL 42 3HG2 VAL 42 6.136 3.609 6.913 1140 H GLN 43 H GLN 43 1.775 2.894 7.948 1141 HA GLN 43 HA GLN 43 0.331 0.657 6.598 1142 1HB GLN 43 2HB GLN 43 -0.311 1.387 9.441 1143 2HB GLN 43 1HB GLN 43 -0.558 -0.144 8.609 1144 1HG GLN 43 2HG GLN 43 1.982 -0.364 8.526 1145 2HG GLN 43 1HG GLN 43 2.043 0.997 9.646 1146 1HE2 GLN 43 1HE2 GLN 43 2.880 -0.353 11.399 1147 2HE2 GLN 43 2HE2 GLN 43 1.892 -1.486 12.186 1148 H LEU 44 H LEU 44 -1.324 1.612 5.464 1149 HA LEU 44 HA LEU 44 -2.233 4.329 6.183 1150 1HB LEU 44 2HB LEU 44 -3.174 2.448 3.998 1151 2HB LEU 44 1HB LEU 44 -3.374 4.195 4.047 1152 HG LEU 44 HG LEU 44 -0.783 2.661 3.735 1153 1HD1 LEU 44 1HD1 LEU 44 -2.458 4.475 2.007 1154 2HD1 LEU 44 2HD1 LEU 44 -1.765 2.907 1.608 1155 3HD1 LEU 44 3HD1 LEU 44 -0.727 4.318 1.723 1156 1HD2 LEU 44 1HD2 LEU 44 -0.093 5.275 3.469 1157 2HD2 LEU 44 2HD2 LEU 44 0.059 4.385 4.985 1158 3HD2 LEU 44 3HD2 LEU 44 -1.347 5.410 4.702 1159 H THR 45 H THR 45 -3.563 4.233 7.997 1160 HA THR 45 HA THR 45 -5.297 3.495 9.436 1161 HB THR 45 HB THR 45 -6.557 4.991 8.172 1162 HG1 THR 45 HG1 THR 45 -8.464 4.065 8.166 1163 1HG2 THR 45 1HG2 THR 45 -7.263 4.546 5.819 1164 2HG2 THR 45 2HG2 THR 45 -6.310 3.068 5.854 1165 3HG2 THR 45 3HG2 THR 45 -5.516 4.628 6.016 1166 H GLY 46 H GLY 46 -3.775 1.228 8.169 1167 1HA GLY 46 2HA GLY 46 -4.039 -1.088 8.647 1168 2HA GLY 46 1HA GLY 46 -5.771 -0.831 8.823 1169 H PHE 47 H PHE 47 -5.350 0.673 5.955 1170 HA PHE 47 HA PHE 47 -6.014 -1.831 4.569 1171 1HB PHE 47 2HB PHE 47 -6.933 -0.508 2.842 1172 2HB PHE 47 1HB PHE 47 -7.383 0.257 4.350 1173 HD1 PHE 47 HD1 PHE 47 -7.370 2.541 4.287 1174 HD2 PHE 47 HD2 PHE 47 -4.432 0.447 1.964 1175 HE1 PHE 47 HE1 PHE 47 -6.506 4.673 3.448 1176 HE2 PHE 47 HE2 PHE 47 -3.558 2.606 1.141 1177 HZ PHE 47 HZ PHE 47 -4.592 4.721 1.882 1178 H LEU 48 H LEU 48 -3.378 0.528 4.469 1179 HA LEU 48 HA LEU 48 -2.047 -1.373 2.582 1180 1HB LEU 48 2HB LEU 48 -2.335 1.547 2.641 1181 2HB LEU 48 1HB LEU 48 -0.720 0.980 2.246 1182 HG LEU 48 HG LEU 48 -3.206 0.852 0.648 1183 1HD1 LEU 48 1HD1 LEU 48 -1.597 2.058 -0.428 1184 2HD1 LEU 48 2HD1 LEU 48 -1.182 0.466 -1.064 1185 3HD1 LEU 48 3HD1 LEU 48 -0.277 1.139 0.294 1186 1HD2 LEU 48 1HD2 LEU 48 -3.100 -1.517 1.092 1187 2HD2 LEU 48 2HD2 LEU 48 -1.359 -1.542 0.803 1188 3HD2 LEU 48 3HD2 LEU 48 -2.472 -1.236 -0.527 1189 H ASN 49 H ASN 49 -1.233 -2.567 4.387 1190 HA ASN 49 HA ASN 49 0.602 -1.209 6.269 1191 1HB ASN 49 2HB ASN 49 -1.163 -3.179 6.578 1192 2HB ASN 49 1HB ASN 49 0.206 -4.173 6.079 1193 1HD2 ASN 49 1HD2 ASN 49 -1.126 -3.811 8.823 1194 2HD2 ASN 49 2HD2 ASN 49 0.158 -3.418 9.860 1195 H ILE 50 H ILE 50 2.181 -0.615 4.497 1196 HA ILE 50 HA ILE 50 3.559 -2.692 3.005 1197 HB ILE 50 HB ILE 50 5.129 -0.799 2.531 1198 1HG1 ILE 50 2HG1 ILE 50 3.395 1.131 3.946 1199 2HG1 ILE 50 1HG1 ILE 50 4.426 0.139 4.979 1200 1HG2 ILE 50 1HG2 ILE 50 3.441 -0.708 0.976 1201 2HG2 ILE 50 2HG2 ILE 50 3.112 0.812 1.805 1202 3HG2 ILE 50 3HG2 ILE 50 2.174 -0.627 2.201 1203 1HD1 ILE 50 1HD1 ILE 50 5.199 2.409 3.501 1204 2HD1 ILE 50 2HD1 ILE 50 5.905 1.032 2.661 1205 3HD1 ILE 50 3HD1 ILE 50 6.254 1.296 4.368 1206 H LYS 51 H LYS 51 5.630 -3.604 3.445 1207 HA LYS 51 HA LYS 51 7.148 -2.766 5.815 1208 1HB LYS 51 2HB LYS 51 6.796 -5.045 6.930 1209 2HB LYS 51 1HB LYS 51 5.413 -3.953 6.963 1210 1HG LYS 51 2HG LYS 51 4.238 -5.176 5.360 1211 2HG LYS 51 1HG LYS 51 5.701 -5.896 4.689 1212 1HD LYS 51 2HD LYS 51 4.923 -6.495 7.529 1213 2HD LYS 51 1HD LYS 51 4.129 -7.353 6.207 1214 1HE LYS 51 2HE LYS 51 5.961 -8.643 5.832 1215 2HE LYS 51 1HE LYS 51 7.041 -7.235 5.864 1216 1HZ LYS 51 1HZ LYS 51 6.744 -7.187 8.307 1217 2HZ LYS 51 2HZ LYS 51 7.526 -8.593 7.760 1218 3HZ LYS 51 3HZ LYS 51 5.888 -8.648 8.210 1219 HA PRO 52 HA PRO 52 10.032 -4.893 3.145 1220 1HB PRO 52 2HB PRO 52 12.307 -4.131 4.427 1221 2HB PRO 52 1HB PRO 52 11.380 -3.032 3.392 1222 1HG PRO 52 2HG PRO 52 11.594 -3.121 6.321 1223 2HG PRO 52 1HG PRO 52 11.204 -1.770 5.260 1224 1HD PRO 52 2HD PRO 52 9.395 -3.304 6.794 1225 2HD PRO 52 1HD PRO 52 8.996 -2.067 5.583 1226 H VAL 53 H VAL 53 11.283 -6.810 3.242 1227 HA VAL 53 HA VAL 53 11.870 -7.923 5.894 1228 HB VAL 53 HB VAL 53 10.666 -9.991 5.468 1229 1HG1 VAL 53 1HG1 VAL 53 9.448 -7.972 6.384 1230 2HG1 VAL 53 2HG1 VAL 53 8.407 -9.147 5.582 1231 3HG1 VAL 53 3HG1 VAL 53 8.864 -7.662 4.749 1232 1HG2 VAL 53 1HG2 VAL 53 9.396 -10.366 3.453 1233 2HG2 VAL 53 2HG2 VAL 53 11.027 -9.924 2.961 1234 3HG2 VAL 53 3HG2 VAL 53 9.729 -8.738 2.878 1235 H ALA 54 H ALA 54 13.873 -8.568 5.911 1236 HA ALA 54 HA ALA 54 15.484 -8.893 3.542 1237 1HB ALA 54 1HB ALA 54 16.376 -10.015 6.142 1238 2HB ALA 54 2HB ALA 54 15.906 -8.316 6.155 1239 3HB ALA 54 3HB ALA 54 17.187 -8.868 5.077 1240 H ARG 55 H ARG 55 15.094 -10.606 2.227 1241 HA ARG 55 HA ARG 55 15.869 -13.246 2.709 1242 1HB ARG 55 2HB ARG 55 13.552 -14.314 2.983 1243 2HB ARG 55 1HB ARG 55 14.153 -13.467 4.405 1244 1HG ARG 55 2HG ARG 55 12.360 -12.106 4.372 1245 2HG ARG 55 1HG ARG 55 12.775 -11.576 2.741 1246 1HD ARG 55 2HD ARG 55 10.524 -12.551 2.720 1247 2HD ARG 55 1HD ARG 55 11.624 -13.639 1.850 1248 HE ARG 55 HE ARG 55 11.505 -14.226 4.701 1249 1HH1 ARG 55 1HH2 ARG 55 11.738 -16.127 2.282 1250 2HH1 ARG 55 2HH2 ARG 55 10.241 -16.987 2.411 1251 1HH2 ARG 55 1HH1 ARG 55 8.814 -14.705 4.598 1252 2HH2 ARG 55 2HH1 ARG 55 8.586 -16.182 3.723 1253 H GLN 56 H GLN 56 16.468 -12.672 0.485 1254 HA GLN 56 HA GLN 56 14.327 -13.313 -1.455 1255 1HB GLN 56 2HB GLN 56 15.441 -10.651 -0.781 1256 2HB GLN 56 1HB GLN 56 15.202 -10.985 -2.495 1257 1HG GLN 56 2HG GLN 56 12.895 -11.985 -1.175 1258 2HG GLN 56 1HG GLN 56 13.202 -10.393 -0.489 1259 1HE2 GLN 56 1HE2 GLN 56 12.289 -8.708 -1.670 1260 2HE2 GLN 56 2HE2 GLN 56 11.927 -8.759 -3.327 1261 H ALA 57 H ALA 57 15.612 -12.248 -3.744 1262 HA ALA 57 HA ALA 57 18.398 -12.887 -3.806 1263 1HB ALA 57 1HB ALA 57 18.038 -15.018 -5.193 1264 2HB ALA 57 2HB ALA 57 16.403 -14.996 -4.537 1265 3HB ALA 57 3HB ALA 57 17.787 -15.125 -3.452 1266 H ARG 58 H ARG 58 19.398 -12.519 -5.687 1267 HA ARG 58 HA ARG 58 18.206 -10.726 -7.572 1268 1HB ARG 58 2HB ARG 58 20.748 -11.967 -6.876 1269 2HB ARG 58 1HB ARG 58 20.561 -11.880 -8.625 1270 1HG ARG 58 2HG ARG 58 20.738 -9.616 -8.650 1271 2HG ARG 58 1HG ARG 58 19.712 -9.434 -7.226 1272 1HD ARG 58 2HD ARG 58 21.561 -9.954 -5.742 1273 2HD ARG 58 1HD ARG 58 22.605 -10.360 -7.122 1274 HE ARG 58 HE ARG 58 21.451 -7.680 -7.309 1275 1HH1 ARG 58 1HH1 ARG 58 23.560 -9.144 -5.127 1276 2HH1 ARG 58 2HH1 ARG 58 24.881 -8.062 -5.415 1277 1HH2 ARG 58 1HH2 ARG 58 23.347 -6.475 -8.089 1278 2HH2 ARG 58 2HH2 ARG 58 24.761 -6.553 -7.092 1279 H LYS 59 H LYS 59 18.806 -11.449 -10.076 1280 HA LYS 59 HA LYS 59 18.096 -14.212 -10.713 1281 1HB LYS 59 2HB LYS 59 15.985 -12.973 -9.923 1282 2HB LYS 59 1HB LYS 59 16.105 -12.058 -11.426 1283 1HG LYS 59 2HG LYS 59 16.267 -14.382 -12.575 1284 2HG LYS 59 1HG LYS 59 15.627 -15.011 -11.057 1285 1HD LYS 59 2HD LYS 59 14.189 -12.658 -12.116 1286 2HD LYS 59 1HD LYS 59 14.072 -14.104 -13.118 1287 1HE LYS 59 2HE LYS 59 12.931 -15.306 -11.492 1288 2HE LYS 59 1HE LYS 59 13.666 -14.394 -10.159 1289 1HZ LYS 59 1HZ LYS 59 12.385 -12.493 -10.692 1290 2HZ LYS 59 2HZ LYS 59 11.297 -13.797 -10.660 1291 3HZ LYS 59 3HZ LYS 59 11.835 -13.171 -12.145 1292 H GLY 60 H GLY 60 20.024 -11.908 -11.436 1293 1HA GLY 60 2HA GLY 60 21.131 -12.291 -13.720 1294 2HA GLY 60 1HA GLY 60 19.542 -11.923 -14.385 1295 H PHE 61 H PHE 61 21.718 -10.397 -11.935 1296 HA PHE 61 HA PHE 61 20.903 -7.814 -13.072 1297 1HB PHE 61 2HB PHE 61 21.187 -6.973 -10.963 1298 2HB PHE 61 1HB PHE 61 21.173 -8.674 -10.495 1299 HD1 PHE 61 HD1 PHE 61 22.984 -9.492 -9.295 1300 HD2 PHE 61 HD2 PHE 61 23.585 -6.078 -11.831 1301 HE1 PHE 61 HE1 PHE 61 25.333 -9.350 -8.546 1302 HE2 PHE 61 HE2 PHE 61 25.926 -5.951 -11.091 1303 HZ PHE 61 HZ PHE 61 26.809 -7.576 -9.437 1304 H ASN 62 H ASN 62 22.263 -6.296 -13.890 1305 HA ASN 62 HA ASN 62 25.135 -6.924 -14.049 1306 1HB ASN 62 2HB ASN 62 25.116 -6.782 -16.463 1307 2HB ASN 62 1HB ASN 62 23.912 -7.961 -15.946 1308 1HD2 ASN 62 1HD2 ASN 62 21.640 -7.403 -16.203 1309 2HD2 ASN 62 2HD2 ASN 62 21.148 -6.071 -17.132 1310 HA PRO 63 HA PRO 63 24.301 -2.277 -14.892 1311 1HB PRO 63 2HB PRO 63 22.490 -1.145 -13.184 1312 2HB PRO 63 1HB PRO 63 22.051 -1.727 -14.802 1313 1HG PRO 63 2HG PRO 63 21.614 -2.989 -12.154 1314 2HG PRO 63 1HG PRO 63 20.590 -3.001 -13.596 1315 1HD PRO 63 2HD PRO 63 22.189 -5.084 -12.808 1316 2HD PRO 63 1HD PRO 63 21.638 -4.814 -14.479 1317 H GLN 64 H GLN 64 24.544 -4.212 -12.131 1318 HA GLN 64 HA GLN 64 25.728 -2.127 -10.409 1319 1HB GLN 64 2HB GLN 64 24.235 -4.522 -10.124 1320 2HB GLN 64 1HB GLN 64 25.802 -4.818 -9.379 1321 1HG GLN 64 2HG GLN 64 25.357 -2.370 -8.382 1322 2HG GLN 64 1HG GLN 64 23.682 -2.876 -8.607 1323 1HE2 GLN 64 1HE2 GLN 64 23.009 -3.498 -6.530 1324 2HE2 GLN 64 2HE2 GLN 64 23.841 -4.602 -5.543 1325 H THR 65 H THR 65 27.152 -5.261 -10.032 1326 HA THR 65 HA THR 65 29.799 -4.284 -10.695 1327 HB THR 65 HB THR 65 30.483 -6.484 -10.011 1328 HG1 THR 65 HG1 THR 65 27.953 -7.145 -10.950 1329 1HG2 THR 65 1HG2 THR 65 28.827 -4.919 -8.450 1330 2HG2 THR 65 2HG2 THR 65 29.771 -6.292 -7.874 1331 3HG2 THR 65 3HG2 THR 65 28.082 -6.513 -8.330 1332 H GLN 66 H GLN 66 27.253 -5.350 -12.618 1333 HA GLN 66 HA GLN 66 27.112 -5.635 -14.929 1334 1HB GLN 66 2HB GLN 66 30.146 -5.569 -14.893 1335 2HB GLN 66 1HB GLN 66 29.105 -5.323 -16.290 1336 1HG GLN 66 2HG GLN 66 28.777 -3.560 -13.878 1337 2HG GLN 66 1HG GLN 66 30.072 -3.234 -15.029 1338 1HE2 GLN 66 1HE2 GLN 66 26.959 -2.332 -14.373 1339 2HE2 GLN 66 2HE2 GLN 66 26.429 -1.954 -15.941 1340 H GLU 67 H GLU 67 26.291 -7.540 -15.178 1341 HA GLU 67 HA GLU 67 26.999 -9.751 -16.396 1342 1HB GLU 67 2HB GLU 67 28.481 -9.682 -13.786 1343 2HB GLU 67 1HB GLU 67 27.849 -11.237 -14.317 1344 1HG GLU 67 2HG GLU 67 29.156 -11.269 -16.256 1345 2HG GLU 67 1HG GLU 67 29.393 -9.521 -16.243 1346 H ALA 68 H ALA 68 24.625 -9.820 -16.401 1347 HA ALA 68 HA ALA 68 22.829 -9.733 -14.303 1348 1HB ALA 68 1HB ALA 68 21.707 -11.691 -15.707 1349 2HB ALA 68 2HB ALA 68 23.002 -11.280 -16.832 1350 3HB ALA 68 3HB ALA 68 21.839 -10.051 -16.338 1351 H LEU 69 H LEU 69 23.402 -10.578 -12.307 1352 HA LEU 69 HA LEU 69 24.392 -13.387 -12.140 1353 1HB LEU 69 2HB LEU 69 23.970 -11.289 -9.985 1354 2HB LEU 69 1HB LEU 69 24.930 -12.761 -9.843 1355 HG LEU 69 HG LEU 69 25.493 -10.355 -11.586 1356 1HD1 LEU 69 1HD1 LEU 69 27.654 -11.439 -9.975 1357 2HD1 LEU 69 2HD1 LEU 69 26.258 -11.010 -8.988 1358 3HD1 LEU 69 3HD1 LEU 69 27.008 -9.800 -10.028 1359 1HD2 LEU 69 1HD2 LEU 69 27.453 -11.628 -12.422 1360 2HD2 LEU 69 2HD2 LEU 69 25.938 -12.402 -12.886 1361 3HD2 LEU 69 3HD2 LEU 69 26.888 -13.052 -11.551 1362 H GLU 70 H GLU 70 23.188 -13.473 -9.316 1363 HA GLU 70 HA GLU 70 20.324 -13.506 -9.451 1364 1HB GLU 70 2HB GLU 70 20.847 -15.182 -11.232 1365 2HB GLU 70 1HB GLU 70 21.711 -16.147 -10.038 1366 1HG GLU 70 2HG GLU 70 19.091 -15.473 -9.029 1367 2HG GLU 70 1HG GLU 70 18.943 -16.213 -10.623 1368 H ILE 71 H ILE 71 22.571 -13.030 -7.511 1369 HA ILE 71 HA ILE 71 22.746 -15.181 -5.688 1370 HB ILE 71 HB ILE 71 24.269 -13.256 -6.122 1371 1HG1 ILE 71 2HG1 ILE 71 25.245 -13.721 -4.201 1372 2HG1 ILE 71 1HG1 ILE 71 23.941 -12.987 -3.274 1373 1HG2 ILE 71 1HG2 ILE 71 23.103 -11.515 -4.157 1374 2HG2 ILE 71 2HG2 ILE 71 22.017 -11.750 -5.526 1375 3HG2 ILE 71 3HG2 ILE 71 23.654 -11.155 -5.789 1376 1HD1 ILE 71 1HD1 ILE 71 22.625 -15.035 -3.429 1377 2HD1 ILE 71 2HD1 ILE 71 24.214 -15.425 -2.799 1378 3HD1 ILE 71 3HD1 ILE 71 23.831 -15.758 -4.484 1379 H ALA 72 H ALA 72 22.079 -13.396 -3.270 1380 HA ALA 72 HA ALA 72 19.152 -13.984 -3.341 1381 1HB ALA 72 1HB ALA 72 20.105 -15.766 -2.254 1382 2HB ALA 72 2HB ALA 72 19.651 -14.713 -0.913 1383 3HB ALA 72 3HB ALA 72 21.323 -14.756 -1.475 1384 HA PRO 73 HA PRO 73 19.460 -10.237 -0.666 1385 1HB PRO 73 2HB PRO 73 20.932 -8.248 -1.842 1386 2HB PRO 73 1HB PRO 73 21.686 -9.571 -0.927 1387 1HG PRO 73 2HG PRO 73 21.814 -9.066 -3.768 1388 2HG PRO 73 1HG PRO 73 22.651 -10.308 -2.828 1389 1HD PRO 73 2HD PRO 73 20.104 -10.517 -4.367 1390 2HD PRO 73 1HD PRO 73 21.283 -11.780 -3.954 1391 H SER 74 H SER 74 17.245 -9.819 -1.126 1392 HA SER 74 HA SER 74 16.856 -7.356 -2.728 1393 1HB SER 74 2HB SER 74 14.792 -9.340 -3.341 1394 2HB SER 74 1HB SER 74 15.708 -8.313 -4.431 1395 HG SER 74 HG SER 74 16.797 -10.040 -4.892 1396 H VAL 75 H VAL 75 16.361 -6.400 -0.652 1397 HA VAL 75 HA VAL 75 14.893 -7.109 1.501 1398 HB VAL 75 HB VAL 75 15.676 -4.843 1.086 1399 1HG1 VAL 75 1HG1 VAL 75 15.173 -3.733 -0.815 1400 2HG1 VAL 75 2HG1 VAL 75 13.445 -3.880 -0.498 1401 3HG1 VAL 75 3HG1 VAL 75 14.296 -5.165 -1.355 1402 1HG2 VAL 75 1HG2 VAL 75 14.037 -3.778 2.321 1403 2HG2 VAL 75 2HG2 VAL 75 13.510 -5.447 2.531 1404 3HG2 VAL 75 3HG2 VAL 75 12.726 -4.419 1.332 1405 H GLY 76 H GLY 76 12.738 -7.521 2.119 1406 1HA GLY 76 2HA GLY 76 10.972 -8.096 -0.214 1407 2HA GLY 76 1HA GLY 76 10.797 -8.803 1.386 1408 H VAL 77 H VAL 77 10.516 -5.794 -0.410 1409 HA VAL 77 HA VAL 77 9.244 -4.304 1.687 1410 HB VAL 77 HB VAL 77 10.265 -3.165 -0.178 1411 1HG1 VAL 77 1HG1 VAL 77 10.313 -4.658 -1.971 1412 2HG1 VAL 77 2HG1 VAL 77 9.076 -3.522 -2.505 1413 3HG1 VAL 77 3HG1 VAL 77 8.607 -5.072 -1.805 1414 1HG2 VAL 77 1HG2 VAL 77 7.527 -2.784 0.486 1415 2HG2 VAL 77 2HG2 VAL 77 7.670 -2.562 -1.257 1416 3HG2 VAL 77 3HG2 VAL 77 8.657 -1.607 -0.162 1417 H SER 78 H SER 78 7.843 -6.309 2.270 1418 HA SER 78 HA SER 78 5.640 -7.050 0.587 1419 1HB SER 78 2HB SER 78 6.485 -7.297 3.420 1420 2HB SER 78 1HB SER 78 4.758 -7.482 3.127 1421 HG SER 78 HG SER 78 5.354 -9.020 1.480 1422 H VAL 79 H VAL 79 3.345 -6.615 1.386 1423 HA VAL 79 HA VAL 79 2.465 -4.317 2.775 1424 HB VAL 79 HB VAL 79 3.723 -3.061 1.083 1425 1HG1 VAL 79 1HG1 VAL 79 2.333 -3.693 -1.322 1426 2HG1 VAL 79 2HG1 VAL 79 2.857 -5.216 -0.606 1427 3HG1 VAL 79 3HG1 VAL 79 4.038 -3.955 -0.956 1428 1HG2 VAL 79 1HG2 VAL 79 0.835 -2.979 0.186 1429 2HG2 VAL 79 2HG2 VAL 79 1.993 -1.655 0.227 1430 3HG2 VAL 79 3HG2 VAL 79 1.358 -2.315 1.733 1431 H LYS 80 H LYS 80 0.068 -3.772 1.860 1432 HA LYS 80 HA LYS 80 -1.207 -5.576 0.068 1433 1HB LYS 80 2HB LYS 80 -2.373 -6.989 1.789 1434 2HB LYS 80 1HB LYS 80 -0.632 -7.252 1.755 1435 1HG LYS 80 2HG LYS 80 -0.603 -6.791 3.960 1436 2HG LYS 80 1HG LYS 80 -1.004 -5.123 3.550 1437 1HD LYS 80 2HD LYS 80 -2.663 -5.897 5.121 1438 2HD LYS 80 1HD LYS 80 -3.437 -5.803 3.539 1439 1HE LYS 80 2HE LYS 80 -3.497 -8.132 3.283 1440 2HE LYS 80 1HE LYS 80 -2.164 -8.388 4.426 1441 1HZ LYS 80 1HZ LYS 80 -4.847 -7.316 5.126 1442 2HZ LYS 80 2HZ LYS 80 -3.565 -7.577 6.209 1443 3HZ LYS 80 3HZ LYS 80 -4.315 -8.895 5.443 1444 HA PRO 81 HA PRO 81 -4.578 -2.873 1.141 1445 1HB PRO 81 2HB PRO 81 -6.607 -4.256 -0.045 1446 2HB PRO 81 1HB PRO 81 -5.337 -3.439 -0.976 1447 1HG PRO 81 2HG PRO 81 -5.788 -6.292 -0.568 1448 2HG PRO 81 1HG PRO 81 -4.807 -5.469 -1.786 1449 1HD PRO 81 2HD PRO 81 -3.936 -6.736 0.659 1450 2HD PRO 81 1HD PRO 81 -2.952 -6.016 -0.631 1451 H GLY 82 H GLY 82 -6.031 -2.639 2.862 1452 1HA GLY 82 2HA GLY 82 -6.581 -5.039 4.521 1453 2HA GLY 82 1HA GLY 82 -6.845 -3.366 5.020 1454 H GLU 83 H GLU 83 -9.045 -4.266 5.648 1455 HA GLU 83 HA GLU 83 -10.812 -4.764 3.319 1456 1HB GLU 83 2HB GLU 83 -12.448 -5.336 5.069 1457 2HB GLU 83 1HB GLU 83 -10.942 -6.235 5.248 1458 1HG GLU 83 2HG GLU 83 -10.832 -3.700 6.678 1459 2HG GLU 83 1HG GLU 83 -12.195 -4.679 7.220 1460 H SER 84 H SER 84 -9.923 -2.181 5.462 1461 HA SER 84 HA SER 84 -12.345 -0.627 5.386 1462 1HB SER 84 2HB SER 84 -10.530 -0.032 6.869 1463 2HB SER 84 1HB SER 84 -9.384 0.037 5.533 1464 HG SER 84 HG SER 84 -9.905 2.072 5.479 1465 H LEU 85 H LEU 85 -9.657 -1.117 3.207 1466 HA LEU 85 HA LEU 85 -10.628 0.786 1.171 1467 1HB LEU 85 2HB LEU 85 -8.297 0.745 1.368 1468 2HB LEU 85 1HB LEU 85 -8.272 -0.962 1.780 1469 HG LEU 85 HG LEU 85 -9.035 -1.285 -0.717 1470 1HD1 LEU 85 1HD1 LEU 85 -9.368 1.046 -1.294 1471 2HD1 LEU 85 2HD1 LEU 85 -7.932 0.482 -2.148 1472 3HD1 LEU 85 3HD1 LEU 85 -7.763 1.467 -0.697 1473 1HD2 LEU 85 1HD2 LEU 85 -6.990 -2.230 -0.235 1474 2HD2 LEU 85 2HD2 LEU 85 -6.367 -0.758 0.508 1475 3HD2 LEU 85 3HD2 LEU 85 -6.433 -0.899 -1.249 1476 H LYS 86 H LYS 86 -10.727 -2.637 1.940 1477 HA LYS 86 HA LYS 86 -11.682 -3.451 -0.707 1478 1HB LYS 86 2HB LYS 86 -10.523 -4.709 1.427 1479 2HB LYS 86 1HB LYS 86 -12.220 -5.111 1.689 1480 1HG LYS 86 2HG LYS 86 -12.016 -5.585 -0.981 1481 2HG LYS 86 1HG LYS 86 -10.380 -5.993 -0.462 1482 1HD LYS 86 2HD LYS 86 -11.301 -7.513 1.252 1483 2HD LYS 86 1HD LYS 86 -12.937 -7.111 0.729 1484 1HE LYS 86 2HE LYS 86 -12.351 -9.182 -0.371 1485 2HE LYS 86 1HE LYS 86 -12.235 -7.913 -1.607 1486 1HZ LYS 86 1HZ LYS 86 -10.240 -9.398 -1.444 1487 2HZ LYS 86 2HZ LYS 86 -9.951 -8.742 0.096 1488 3HZ LYS 86 3HZ LYS 86 -9.909 -7.743 -1.277 1489 H LYS 87 H LYS 87 -12.988 -2.572 2.416 1490 HA LYS 87 HA LYS 87 -15.718 -3.285 1.869 1491 1HB LYS 87 2HB LYS 87 -14.898 -2.937 4.144 1492 2HB LYS 87 1HB LYS 87 -14.374 -1.302 3.744 1493 1HG LYS 87 2HG LYS 87 -16.739 -0.674 3.303 1494 2HG LYS 87 1HG LYS 87 -17.240 -2.296 3.783 1495 1HD LYS 87 2HD LYS 87 -15.814 -1.713 5.953 1496 2HD LYS 87 1HD LYS 87 -16.189 -0.059 5.467 1497 1HE LYS 87 2HE LYS 87 -18.398 -0.273 6.016 1498 2HE LYS 87 1HE LYS 87 -18.488 -1.929 5.383 1499 1HZ LYS 87 1HZ LYS 87 -17.166 -2.667 7.291 1500 2HZ LYS 87 2HZ LYS 87 -18.632 -1.967 7.784 1501 3HZ LYS 87 3HZ LYS 87 -17.183 -1.092 7.919 1502 H ALA 88 H ALA 88 -13.671 -0.428 1.463 1503 HA ALA 88 HA ALA 88 -15.673 1.343 0.406 1504 1HB ALA 88 1HB ALA 88 -12.908 1.343 -0.688 1505 2HB ALA 88 2HB ALA 88 -13.024 1.443 1.067 1506 3HB ALA 88 3HB ALA 88 -13.804 2.663 0.062 1507 H ALA 89 H ALA 89 -13.597 -1.208 -0.893 1508 HA ALA 89 HA ALA 89 -14.191 -0.955 -3.665 1509 1HB ALA 89 1HB ALA 89 -14.026 -3.676 -2.464 1510 2HB ALA 89 2HB ALA 89 -12.680 -2.591 -2.117 1511 3HB ALA 89 3HB ALA 89 -13.089 -2.981 -3.787 1512 H GLU 90 H GLU 90 -15.996 -2.398 -0.996 1513 HA GLU 90 HA GLU 90 -18.062 -3.710 -2.441 1514 1HB GLU 90 2HB GLU 90 -17.395 -3.108 0.203 1515 2HB GLU 90 1HB GLU 90 -18.927 -2.266 -0.045 1516 1HG GLU 90 2HG GLU 90 -18.765 -5.035 -1.107 1517 2HG GLU 90 1HG GLU 90 -18.773 -4.875 0.650 1518 H GLY 91 H GLY 91 -17.427 -0.360 -1.632 1519 1HA GLY 91 2HA GLY 91 -19.998 0.600 -2.687 1520 2HA GLY 91 1HA GLY 91 -18.679 1.606 -2.093 1521 H LEU 92 H LEU 92 -16.941 -0.225 -4.075 1522 HA LEU 92 HA LEU 92 -17.011 1.722 -6.258 1523 1HB LEU 92 2HB LEU 92 -14.944 0.821 -6.740 1524 2HB LEU 92 1HB LEU 92 -15.098 0.221 -5.097 1525 HG LEU 92 HG LEU 92 -16.359 -1.776 -6.417 1526 1HD1 LEU 92 1HD1 LEU 92 -15.237 -0.263 -8.496 1527 2HD1 LEU 92 2HD1 LEU 92 -15.829 -1.919 -8.613 1528 3HD1 LEU 92 3HD1 LEU 92 -14.124 -1.614 -8.284 1529 1HD2 LEU 92 1HD2 LEU 92 -13.587 -1.293 -5.493 1530 2HD2 LEU 92 2HD2 LEU 92 -13.791 -2.665 -6.577 1531 3HD2 LEU 92 3HD2 LEU 92 -14.702 -2.586 -5.074 1532 H LYS 93 H LYS 93 -19.275 -0.397 -5.719 1533 HA LYS 93 HA LYS 93 -20.931 -1.230 -7.219 1534 1HB LYS 93 2HB LYS 93 -20.745 -0.759 -9.463 1535 2HB LYS 93 1HB LYS 93 -19.427 0.271 -8.925 1536 1HG LYS 93 2HG LYS 93 -18.058 -2.035 -9.219 1537 2HG LYS 93 1HG LYS 93 -19.335 -2.322 -10.394 1538 1HD LYS 93 2HD LYS 93 -17.500 0.091 -10.313 1539 2HD LYS 93 1HD LYS 93 -17.435 -1.225 -11.483 1540 1HE LYS 93 2HE LYS 93 -19.795 0.659 -11.102 1541 2HE LYS 93 1HE LYS 93 -18.629 0.723 -12.438 1542 1HZ LYS 93 1HZ LYS 93 -19.249 -1.827 -12.553 1543 2HZ LYS 93 2HZ LYS 93 -20.167 -0.652 -13.367 1544 3HZ LYS 93 3HZ LYS 93 -20.700 -1.266 -11.877 1545 H TYR 94 H TYR 94 -19.052 -2.544 -5.562 1546 HA TYR 94 HA TYR 94 -17.628 -4.734 -6.373 1547 1HB TYR 94 2HB TYR 94 -18.440 -3.788 -4.082 1548 2HB TYR 94 1HB TYR 94 -19.738 -4.964 -4.250 1549 HD1 TYR 94 HD1 TYR 94 -18.963 -7.395 -4.929 1550 HD2 TYR 94 HD2 TYR 94 -16.422 -4.458 -3.120 1551 HE1 TYR 94 HE1 TYR 94 -17.463 -9.189 -4.116 1552 HE2 TYR 94 HE2 TYR 94 -14.927 -6.251 -2.327 1553 HH TYR 94 HH TYR 94 -14.350 -8.549 -2.904 1554 H GLU 95 H GLU 95 -21.086 -4.990 -5.619 1555 HA GLU 95 HA GLU 95 -21.474 -7.568 -6.701 1556 1HB GLU 95 2HB GLU 95 -23.219 -5.185 -6.133 1557 2HB GLU 95 1HB GLU 95 -23.913 -6.624 -6.880 1558 1HG GLU 95 2HG GLU 95 -22.881 -7.966 -4.986 1559 2HG GLU 95 1HG GLU 95 -22.518 -6.429 -4.201 1560 H ASP 96 H ASP 96 -21.510 -4.376 -8.217 1561 HA ASP 96 HA ASP 96 -22.641 -5.159 -10.742 1562 1HB ASP 96 2HB ASP 96 -21.260 -2.879 -9.518 1563 2HB ASP 96 1HB ASP 96 -20.864 -3.074 -11.226 1564 H PHE 97 H PHE 97 -19.371 -5.238 -9.381 1565 HA PHE 97 HA PHE 97 -18.159 -6.182 -11.905 1566 1HB PHE 97 2HB PHE 97 -17.376 -5.186 -9.275 1567 2HB PHE 97 1HB PHE 97 -16.468 -6.636 -9.694 1568 HD1 PHE 97 HD1 PHE 97 -16.688 -3.119 -10.115 1569 HD2 PHE 97 HD2 PHE 97 -15.480 -6.715 -12.126 1570 HE1 PHE 97 HE1 PHE 97 -15.261 -1.784 -11.641 1571 HE2 PHE 97 HE2 PHE 97 -14.053 -5.383 -13.652 1572 HZ PHE 97 HZ PHE 97 -13.942 -2.916 -13.411 1573 H ALA 98 H ALA 98 -19.917 -7.399 -9.283 1574 HA ALA 98 HA ALA 98 -18.826 -10.134 -9.349 1575 1HB ALA 98 1HB ALA 98 -19.550 -8.689 -7.328 1576 2HB ALA 98 2HB ALA 98 -20.111 -10.360 -7.364 1577 3HB ALA 98 3HB ALA 98 -21.198 -9.057 -7.829 1578 H LYS 99 H LYS 99 -21.359 -8.290 -10.816 1579 HA LYS 99 HA LYS 99 -23.042 -10.668 -11.374 1580 1HB LYS 99 2HB LYS 99 -23.213 -7.682 -11.780 1581 2HB LYS 99 1HB LYS 99 -24.357 -8.765 -12.573 1582 1HG LYS 99 2HG LYS 99 -25.410 -9.305 -10.618 1583 2HG LYS 99 1HG LYS 99 -23.914 -9.270 -9.686 1584 1HD LYS 99 2HD LYS 99 -24.311 -7.161 -9.002 1585 2HD LYS 99 1HD LYS 99 -24.554 -6.616 -10.662 1586 1HE LYS 99 2HE LYS 99 -26.621 -6.228 -9.437 1587 2HE LYS 99 1HE LYS 99 -26.900 -7.596 -10.533 1588 1HZ LYS 99 1HZ LYS 99 -26.243 -9.090 -8.709 1589 2HZ LYS 99 2HZ LYS 99 -27.633 -8.190 -8.331 1590 3HZ LYS 99 3HZ LYS 99 -26.131 -7.758 -7.666 Start of MODEL 15 1 1H MET 1 1H MET 1 6.369 3.532 10.498 2 2H MET 1 2H MET 1 5.218 2.678 9.586 3 3H MET 1 3H MET 1 4.937 2.996 11.232 4 HA MET 1 HA MET 1 4.844 5.387 10.763 5 1HB MET 1 2HB MET 1 6.026 4.320 8.346 6 2HB MET 1 1HB MET 1 4.605 5.283 7.941 7 1HG MET 1 2HG MET 1 5.487 7.227 8.913 8 2HG MET 1 1HG MET 1 6.638 6.328 9.900 9 1HE MET 1 1HE MET 1 5.661 7.976 6.793 10 2HE MET 1 2HE MET 1 5.681 6.408 5.990 11 3HE MET 1 3HE MET 1 6.878 7.626 5.558 12 H ASN 2 H ASN 2 2.846 6.357 9.493 13 HA ASN 2 HA ASN 2 0.809 4.623 8.490 14 1HB ASN 2 2HB ASN 2 -0.660 4.601 10.486 15 2HB ASN 2 1HB ASN 2 0.875 3.804 10.824 16 1HD2 ASN 2 1HD2 ASN 2 -0.542 4.785 13.010 17 2HD2 ASN 2 2HD2 ASN 2 0.221 6.168 13.630 18 H LYS 3 H LYS 3 -1.491 5.913 9.120 19 HA LYS 3 HA LYS 3 -1.500 8.270 7.592 20 1HB LYS 3 2HB LYS 3 -3.340 6.693 8.749 21 2HB LYS 3 1HB LYS 3 -3.371 8.021 9.908 22 1HG LYS 3 2HG LYS 3 -4.926 8.801 8.397 23 2HG LYS 3 1HG LYS 3 -3.467 9.484 7.691 24 1HD LYS 3 2HD LYS 3 -3.324 7.769 6.043 25 2HD LYS 3 1HD LYS 3 -4.496 6.760 6.882 26 1HE LYS 3 2HE LYS 3 -5.003 9.258 5.242 27 2HE LYS 3 1HE LYS 3 -5.793 7.683 5.119 28 1HZ LYS 3 1HZ LYS 3 -7.303 9.008 6.306 29 2HZ LYS 3 2HZ LYS 3 -6.091 9.713 7.260 30 3HZ LYS 3 3HZ LYS 3 -6.530 8.091 7.505 31 H THR 4 H THR 4 -0.335 7.812 10.823 32 HA THR 4 HA THR 4 -0.452 10.723 11.469 33 HB THR 4 HB THR 4 0.399 8.209 12.949 34 HG1 THR 4 HG1 THR 4 -1.556 8.274 13.709 35 1HG2 THR 4 1HG2 THR 4 1.730 9.707 14.070 36 2HG2 THR 4 2HG2 THR 4 0.213 10.042 14.906 37 3HG2 THR 4 3HG2 THR 4 0.750 11.094 13.596 38 H GLU 5 H GLU 5 1.993 8.108 11.375 39 HA GLU 5 HA GLU 5 4.249 9.861 11.493 40 1HB GLU 5 2HB GLU 5 4.003 7.115 10.234 41 2HB GLU 5 1HB GLU 5 5.487 7.865 10.803 42 1HG GLU 5 2HG GLU 5 3.696 7.999 12.977 43 2HG GLU 5 1HG GLU 5 3.514 6.377 12.309 44 H LEU 6 H LEU 6 2.458 8.437 8.741 45 HA LEU 6 HA LEU 6 4.122 9.625 6.701 46 1HB LEU 6 2HB LEU 6 1.286 8.587 6.859 47 2HB LEU 6 1HB LEU 6 1.905 9.294 5.370 48 HG LEU 6 HG LEU 6 3.435 7.126 6.795 49 1HD1 LEU 6 1HD1 LEU 6 0.875 6.908 5.373 50 2HD1 LEU 6 2HD1 LEU 6 1.699 5.725 6.389 51 3HD1 LEU 6 3HD1 LEU 6 2.137 5.885 4.688 52 1HD2 LEU 6 1HD2 LEU 6 3.245 8.023 3.899 53 2HD2 LEU 6 2HD2 LEU 6 4.308 6.758 4.513 54 3HD2 LEU 6 3HD2 LEU 6 4.552 8.431 5.012 55 H ILE 7 H ILE 7 1.408 10.781 8.639 56 HA ILE 7 HA ILE 7 0.754 13.134 7.163 57 HB ILE 7 HB ILE 7 0.355 11.981 9.832 58 1HG1 ILE 7 2HG1 ILE 7 -1.181 13.782 7.961 59 2HG1 ILE 7 1HG1 ILE 7 -1.499 12.100 8.352 60 1HG2 ILE 7 1HG2 ILE 7 1.496 13.884 10.719 61 2HG2 ILE 7 2HG2 ILE 7 -0.220 14.236 10.868 62 3HG2 ILE 7 3HG2 ILE 7 0.717 14.968 9.568 63 1HD1 ILE 7 1HD1 ILE 7 -1.810 12.971 10.792 64 2HD1 ILE 7 2HD1 ILE 7 -3.114 13.207 9.629 65 3HD1 ILE 7 3HD1 ILE 7 -2.027 14.540 10.016 66 H LYS 8 H LYS 8 2.937 12.757 9.952 67 HA LYS 8 HA LYS 8 4.178 15.324 9.679 68 1HB LYS 8 2HB LYS 8 5.810 14.352 11.277 69 2HB LYS 8 1HB LYS 8 4.154 13.977 11.755 70 1HG LYS 8 2HG LYS 8 4.317 11.747 10.923 71 2HG LYS 8 1HG LYS 8 5.821 12.101 10.074 72 1HD LYS 8 2HD LYS 8 6.863 12.585 12.333 73 2HD LYS 8 1HD LYS 8 5.397 11.930 13.064 74 1HE LYS 8 2HE LYS 8 5.908 9.764 12.469 75 2HE LYS 8 1HE LYS 8 6.686 10.260 10.952 76 1HZ LYS 8 1HZ LYS 8 7.796 10.802 13.655 77 2HZ LYS 8 2HZ LYS 8 8.550 11.108 12.164 78 3HZ LYS 8 3HZ LYS 8 8.287 9.509 12.673 79 H ALA 9 H ALA 9 4.655 12.219 8.095 80 HA ALA 9 HA ALA 9 7.344 12.567 7.173 81 1HB ALA 9 1HB ALA 9 5.043 11.352 5.627 82 2HB ALA 9 2HB ALA 9 5.729 10.562 7.048 83 3HB ALA 9 3HB ALA 9 6.733 10.850 5.628 84 H ILE 10 H ILE 10 4.203 13.716 5.962 85 HA ILE 10 HA ILE 10 5.489 15.141 3.715 86 HB ILE 10 HB ILE 10 2.810 14.231 4.586 87 1HG1 ILE 10 2HG1 ILE 10 2.417 14.216 2.134 88 2HG1 ILE 10 1HG1 ILE 10 3.988 14.986 1.903 89 1HG2 ILE 10 1HG2 ILE 10 2.293 16.561 4.870 90 2HG2 ILE 10 2HG2 ILE 10 1.630 16.079 3.308 91 3HG2 ILE 10 3HG2 ILE 10 3.138 16.990 3.383 92 1HD1 ILE 10 1HD1 ILE 10 4.759 12.922 3.449 93 2HD1 ILE 10 2HD1 ILE 10 4.668 12.800 1.693 94 3HD1 ILE 10 3HD1 ILE 10 3.349 12.187 2.688 95 H ALA 11 H ALA 11 3.911 15.644 6.832 96 HA ALA 11 HA ALA 11 3.910 18.515 6.804 97 1HB ALA 11 1HB ALA 11 3.128 16.437 8.462 98 2HB ALA 11 2HB ALA 11 3.068 18.141 8.899 99 3HB ALA 11 3HB ALA 11 4.455 17.159 9.368 100 H GLN 12 H GLN 12 6.447 16.196 6.946 101 HA GLN 12 HA GLN 12 8.382 18.243 7.926 102 1HB GLN 12 2HB GLN 12 8.335 16.245 9.295 103 2HB GLN 12 1HB GLN 12 8.358 15.208 7.870 104 1HG GLN 12 2HG GLN 12 10.578 15.257 8.884 105 2HG GLN 12 1HG GLN 12 10.625 16.058 7.314 106 1HE2 GLN 12 1HE2 GLN 12 12.273 17.612 7.719 107 2HE2 GLN 12 2HE2 GLN 12 12.158 18.806 8.921 108 H ASP 13 H ASP 13 7.856 15.717 5.427 109 HA ASP 13 HA ASP 13 10.208 16.332 3.861 110 1HB ASP 13 2HB ASP 13 7.473 15.147 3.325 111 2HB ASP 13 1HB ASP 13 8.625 15.383 2.013 112 H THR 14 H THR 14 7.028 17.638 4.235 113 HA THR 14 HA THR 14 7.468 19.721 2.157 114 HB THR 14 HB THR 14 4.867 19.582 3.488 115 HG1 THR 14 HG1 THR 14 5.846 17.246 2.206 116 1HG2 THR 14 1HG2 THR 14 5.065 20.568 1.345 117 2HG2 THR 14 2HG2 THR 14 4.217 19.046 1.100 118 3HG2 THR 14 3HG2 THR 14 5.929 19.176 0.706 119 H GLY 15 H GLY 15 5.706 19.589 5.270 120 1HA GLY 15 2HA GLY 15 5.608 21.164 7.019 121 2HA GLY 15 1HA GLY 15 7.362 21.168 6.865 122 H LEU 16 H LEU 16 5.357 22.199 4.226 123 HA LEU 16 HA LEU 16 6.548 24.891 4.399 124 1HB LEU 16 2HB LEU 16 4.687 24.860 2.280 125 2HB LEU 16 1HB LEU 16 6.440 24.749 2.157 126 HG LEU 16 HG LEU 16 6.144 22.271 2.643 127 1HD1 LEU 16 1HD1 LEU 16 3.449 22.377 1.450 128 2HD1 LEU 16 2HD1 LEU 16 3.520 23.028 3.083 129 3HD1 LEU 16 3HD1 LEU 16 4.046 21.375 2.773 130 1HD2 LEU 16 1HD2 LEU 16 4.777 22.748 0.061 131 2HD2 LEU 16 2HD2 LEU 16 6.301 21.921 0.388 132 3HD2 LEU 16 3HD2 LEU 16 6.257 23.680 0.290 133 H THR 17 H THR 17 3.550 23.288 4.933 134 HA THR 17 HA THR 17 2.419 25.654 6.251 135 HB THR 17 HB THR 17 2.059 25.205 3.512 136 HG1 THR 17 HG1 THR 17 0.507 26.645 5.398 137 1HG2 THR 17 1HG2 THR 17 -0.500 24.857 3.525 138 2HG2 THR 17 2HG2 THR 17 -0.255 24.119 5.097 139 3HG2 THR 17 3HG2 THR 17 0.535 23.442 3.674 140 H GLN 18 H GLN 18 2.689 22.272 5.811 141 HA GLN 18 HA GLN 18 1.615 20.451 6.874 142 1HB GLN 18 2HB GLN 18 0.424 22.562 8.702 143 2HB GLN 18 1HB GLN 18 0.873 20.904 9.105 144 1HG GLN 18 2HG GLN 18 3.279 21.673 8.399 145 2HG GLN 18 1HG GLN 18 2.644 23.293 8.694 146 1HE2 GLN 18 1HE2 GLN 18 0.903 22.699 10.895 147 2HE2 GLN 18 2HE2 GLN 18 1.856 22.226 12.219 148 H VAL 19 H VAL 19 0.467 22.042 4.722 149 HA VAL 19 HA VAL 19 -1.852 22.939 4.213 150 HB VAL 19 HB VAL 19 -0.884 21.647 2.497 151 1HG1 VAL 19 1HG1 VAL 19 -0.721 19.594 4.533 152 2HG1 VAL 19 2HG1 VAL 19 0.199 19.754 3.041 153 3HG1 VAL 19 3HG1 VAL 19 -1.360 18.936 3.027 154 1HG2 VAL 19 1HG2 VAL 19 -3.447 20.168 3.142 155 2HG2 VAL 19 2HG2 VAL 19 -2.670 20.275 1.569 156 3HG2 VAL 19 3HG2 VAL 19 -3.352 21.718 2.311 157 H SER 20 H SER 20 -2.622 19.598 4.659 158 HA SER 20 HA SER 20 -4.439 20.254 6.874 159 1HB SER 20 2HB SER 20 -5.013 19.435 4.127 160 2HB SER 20 1HB SER 20 -5.694 18.321 5.295 161 HG SER 20 HG SER 20 -6.279 20.540 6.333 162 H VAL 21 H VAL 21 -1.706 18.868 6.440 163 HA VAL 21 HA VAL 21 -1.321 16.281 6.449 164 HB VAL 21 HB VAL 21 -0.172 16.465 8.691 165 1HG1 VAL 21 1HG1 VAL 21 1.034 18.747 7.816 166 2HG1 VAL 21 2HG1 VAL 21 0.185 18.243 6.355 167 3HG1 VAL 21 3HG1 VAL 21 1.337 17.153 7.126 168 1HG2 VAL 21 1HG2 VAL 21 -1.727 17.933 9.842 169 2HG2 VAL 21 2HG2 VAL 21 -1.499 19.191 8.627 170 3HG2 VAL 21 3HG2 VAL 21 -0.176 18.763 9.711 171 H SER 22 H SER 22 -3.393 17.852 8.758 172 HA SER 22 HA SER 22 -4.259 15.327 10.031 173 1HB SER 22 2HB SER 22 -4.279 17.234 11.435 174 2HB SER 22 1HB SER 22 -4.991 18.251 10.186 175 HG SER 22 HG SER 22 -6.176 16.564 12.003 176 H LYS 23 H LYS 23 -5.526 17.638 7.659 177 HA LYS 23 HA LYS 23 -7.913 15.946 7.199 178 1HB LYS 23 2HB LYS 23 -7.023 18.721 6.729 179 2HB LYS 23 1HB LYS 23 -8.053 18.048 5.467 180 1HG LYS 23 2HG LYS 23 -9.729 17.433 7.179 181 2HG LYS 23 1HG LYS 23 -8.697 18.127 8.430 182 1HD LYS 23 2HD LYS 23 -10.000 19.596 6.120 183 2HD LYS 23 1HD LYS 23 -10.363 19.783 7.835 184 1HE LYS 23 2HE LYS 23 -7.622 20.241 7.740 185 2HE LYS 23 1HE LYS 23 -8.216 21.011 6.255 186 1HZ LYS 23 1HZ LYS 23 -9.858 22.195 7.486 187 2HZ LYS 23 2HZ LYS 23 -8.372 22.445 8.272 188 3HZ LYS 23 3HZ LYS 23 -9.501 21.347 8.912 189 H MET 24 H MET 24 -4.814 16.837 5.700 190 HA MET 24 HA MET 24 -5.333 15.963 3.071 191 1HB MET 24 2HB MET 24 -3.515 17.411 4.049 192 2HB MET 24 1HB MET 24 -2.826 15.977 4.774 193 1HG MET 24 2HG MET 24 -3.400 15.850 1.890 194 2HG MET 24 1HG MET 24 -2.100 16.928 2.380 195 1HE MET 24 1HE MET 24 -2.281 14.429 5.125 196 2HE MET 24 2HE MET 24 -1.116 15.734 4.922 197 3HE MET 24 3HE MET 24 -0.561 14.067 4.949 198 H LEU 25 H LEU 25 -4.113 14.291 6.032 199 HA LEU 25 HA LEU 25 -4.081 11.732 4.576 200 1HB LEU 25 2HB LEU 25 -3.393 12.706 7.332 201 2HB LEU 25 1HB LEU 25 -3.505 10.983 7.001 202 HG LEU 25 HG LEU 25 -1.436 12.911 6.226 203 1HD1 LEU 25 1HD1 LEU 25 -1.725 10.149 7.094 204 2HD1 LEU 25 2HD1 LEU 25 -0.321 11.204 7.204 205 3HD1 LEU 25 3HD1 LEU 25 -0.602 10.268 5.740 206 1HD2 LEU 25 1HD2 LEU 25 -0.918 11.885 4.051 207 2HD2 LEU 25 2HD2 LEU 25 -2.523 12.607 4.006 208 3HD2 LEU 25 3HD2 LEU 25 -2.349 10.862 4.177 209 H ALA 26 H ALA 26 -5.924 13.140 7.338 210 HA ALA 26 HA ALA 26 -7.708 11.029 7.825 211 1HB ALA 26 1HB ALA 26 -8.181 14.024 7.626 212 2HB ALA 26 2HB ALA 26 -7.741 13.121 9.075 213 3HB ALA 26 3HB ALA 26 -9.333 12.902 8.348 214 H SER 27 H SER 27 -7.717 13.428 5.208 215 HA SER 27 HA SER 27 -10.130 12.350 3.947 216 1HB SER 27 2HB SER 27 -7.952 14.234 2.991 217 2HB SER 27 1HB SER 27 -9.492 13.972 2.183 218 HG SER 27 HG SER 27 -9.026 15.054 4.764 219 H PHE 28 H PHE 28 -6.639 11.934 3.731 220 HA PHE 28 HA PHE 28 -6.384 10.636 1.236 221 1HB PHE 28 2HB PHE 28 -4.503 11.316 2.580 222 2HB PHE 28 1HB PHE 28 -5.018 10.294 3.909 223 HD1 PHE 28 HD1 PHE 28 -3.029 10.511 0.973 224 HD2 PHE 28 HD2 PHE 28 -5.116 7.732 3.479 225 HE1 PHE 28 HE1 PHE 28 -1.625 8.671 0.111 226 HE2 PHE 28 HE2 PHE 28 -3.712 5.899 2.615 227 HZ PHE 28 HZ PHE 28 -1.965 6.361 0.917 228 H GLU 29 H GLU 29 -7.163 9.170 4.447 229 HA GLU 29 HA GLU 29 -7.509 6.531 3.278 230 1HB GLU 29 2HB GLU 29 -7.147 6.995 5.740 231 2HB GLU 29 1HB GLU 29 -8.788 7.642 5.800 232 1HG GLU 29 2HG GLU 29 -9.420 5.396 4.636 233 2HG GLU 29 1HG GLU 29 -7.871 4.840 5.259 234 H LYS 30 H LYS 30 -9.513 9.356 3.888 235 HA LYS 30 HA LYS 30 -12.030 8.123 3.184 236 1HB LYS 30 2HB LYS 30 -11.735 10.233 4.484 237 2HB LYS 30 1HB LYS 30 -11.095 11.007 3.035 238 1HG LYS 30 2HG LYS 30 -13.186 10.706 1.863 239 2HG LYS 30 1HG LYS 30 -13.834 9.725 3.178 240 1HD LYS 30 2HD LYS 30 -13.159 11.961 4.557 241 2HD LYS 30 1HD LYS 30 -13.538 12.672 2.988 242 1HE LYS 30 2HE LYS 30 -15.704 12.608 3.719 243 2HE LYS 30 1HE LYS 30 -15.618 10.877 3.338 244 1HZ LYS 30 1HZ LYS 30 -16.266 11.332 5.673 245 2HZ LYS 30 2HZ LYS 30 -14.754 12.065 5.920 246 3HZ LYS 30 3HZ LYS 30 -14.848 10.412 5.540 247 H ILE 31 H ILE 31 -9.289 9.358 1.359 248 HA ILE 31 HA ILE 31 -10.900 9.442 -1.098 249 HB ILE 31 HB ILE 31 -8.948 10.442 -2.085 250 1HG1 ILE 31 2HG1 ILE 31 -7.064 10.963 -0.295 251 2HG1 ILE 31 1HG1 ILE 31 -7.610 9.410 0.309 252 1HG2 ILE 31 1HG2 ILE 31 -8.617 12.186 0.020 253 2HG2 ILE 31 2HG2 ILE 31 -10.203 11.472 0.319 254 3HG2 ILE 31 3HG2 ILE 31 -9.876 12.282 -1.211 255 1HD1 ILE 31 1HD1 ILE 31 -6.200 10.059 -2.209 256 2HD1 ILE 31 2HD1 ILE 31 -7.477 8.849 -2.336 257 3HD1 ILE 31 3HD1 ILE 31 -6.127 8.594 -1.231 258 H ILE 32 H ILE 32 -8.198 7.726 0.322 259 HA ILE 32 HA ILE 32 -7.433 5.990 -1.773 260 HB ILE 32 HB ILE 32 -7.823 5.479 1.195 261 1HG1 ILE 32 2HG1 ILE 32 -6.215 7.326 0.265 262 2HG1 ILE 32 1HG1 ILE 32 -5.616 6.216 1.489 263 1HG2 ILE 32 1HG2 ILE 32 -7.250 3.338 0.821 264 2HG2 ILE 32 2HG2 ILE 32 -5.747 3.861 0.070 265 3HG2 ILE 32 3HG2 ILE 32 -7.190 3.645 -0.914 266 1HD1 ILE 32 1HD1 ILE 32 -5.292 5.476 -1.392 267 2HD1 ILE 32 2HD1 ILE 32 -4.265 5.080 -0.013 268 3HD1 ILE 32 3HD1 ILE 32 -4.219 6.700 -0.712 269 H THR 33 H THR 33 -9.954 5.608 0.681 270 HA THR 33 HA THR 33 -11.100 3.254 -0.493 271 HB THR 33 HB THR 33 -13.068 4.049 0.989 272 HG1 THR 33 HG1 THR 33 -12.877 5.950 1.827 273 1HG2 THR 33 1HG2 THR 33 -11.768 2.448 1.993 274 2HG2 THR 33 2HG2 THR 33 -11.488 3.813 3.077 275 3HG2 THR 33 3HG2 THR 33 -10.293 3.402 1.844 276 H GLU 34 H GLU 34 -11.688 6.711 -0.607 277 HA GLU 34 HA GLU 34 -14.069 6.747 -2.070 278 1HB GLU 34 2HB GLU 34 -13.671 9.009 -1.982 279 2HB GLU 34 1HB GLU 34 -12.331 8.529 -0.963 280 1HG GLU 34 2HG GLU 34 -11.331 9.970 -2.518 281 2HG GLU 34 1HG GLU 34 -10.964 8.369 -3.148 282 H THR 35 H THR 35 -10.730 6.287 -3.224 283 HA THR 35 HA THR 35 -11.589 6.480 -6.042 284 HB THR 35 HB THR 35 -9.012 5.919 -4.575 285 HG1 THR 35 HG1 THR 35 -9.926 7.864 -6.421 286 1HG2 THR 35 1HG2 THR 35 -8.322 6.057 -7.250 287 2HG2 THR 35 2HG2 THR 35 -9.775 5.063 -7.278 288 3HG2 THR 35 3HG2 THR 35 -8.398 4.575 -6.299 289 H VAL 36 H VAL 36 -10.140 3.862 -4.041 290 HA VAL 36 HA VAL 36 -10.539 1.805 -5.949 291 HB VAL 36 HB VAL 36 -10.757 1.769 -2.922 292 1HG1 VAL 36 1HG1 VAL 36 -11.579 -0.252 -4.460 293 2HG1 VAL 36 2HG1 VAL 36 -10.685 -0.535 -2.967 294 3HG1 VAL 36 3HG1 VAL 36 -9.848 -0.581 -4.518 295 1HG2 VAL 36 1HG2 VAL 36 -8.637 2.576 -4.367 296 2HG2 VAL 36 2HG2 VAL 36 -8.355 0.835 -4.405 297 3HG2 VAL 36 3HG2 VAL 36 -8.463 1.678 -2.860 298 H ALA 37 H ALA 37 -12.758 3.200 -3.541 299 HA ALA 37 HA ALA 37 -14.944 1.428 -4.316 300 1HB ALA 37 1HB ALA 37 -14.513 2.598 -2.060 301 2HB ALA 37 2HB ALA 37 -16.168 2.589 -2.667 302 3HB ALA 37 3HB ALA 37 -15.177 4.038 -2.831 303 H LYS 38 H LYS 38 -13.420 4.010 -5.844 304 HA LYS 38 HA LYS 38 -15.956 4.908 -7.174 305 1HB LYS 38 2HB LYS 38 -13.403 6.120 -6.440 306 2HB LYS 38 1HB LYS 38 -13.778 6.382 -8.138 307 1HG LYS 38 2HG LYS 38 -14.678 8.165 -6.581 308 2HG LYS 38 1HG LYS 38 -15.891 7.400 -7.605 309 1HD LYS 38 2HD LYS 38 -17.014 6.595 -5.821 310 2HD LYS 38 1HD LYS 38 -15.542 5.942 -5.106 311 1HE LYS 38 2HE LYS 38 -15.803 7.560 -3.521 312 2HE LYS 38 1HE LYS 38 -15.246 8.693 -4.768 313 1HZ LYS 38 1HZ LYS 38 -17.501 8.955 -5.534 314 2HZ LYS 38 2HZ LYS 38 -17.442 9.300 -3.871 315 3HZ LYS 38 3HZ LYS 38 -18.064 7.814 -4.412 316 H GLY 39 H GLY 39 -12.960 3.213 -7.560 317 1HA GLY 39 2HA GLY 39 -12.844 1.470 -9.234 318 2HA GLY 39 1HA GLY 39 -13.826 2.479 -10.291 319 H ASP 40 H ASP 40 -10.933 3.358 -8.394 320 HA ASP 40 HA ASP 40 -9.564 3.894 -11.020 321 1HB ASP 40 2HB ASP 40 -10.399 5.704 -8.923 322 2HB ASP 40 1HB ASP 40 -8.645 5.756 -9.102 323 H LYS 41 H LYS 41 -7.405 3.301 -11.086 324 HA LYS 41 HA LYS 41 -6.414 1.613 -8.886 325 1HB LYS 41 2HB LYS 41 -5.318 2.345 -11.622 326 2HB LYS 41 1HB LYS 41 -4.669 1.083 -10.574 327 1HG LYS 41 2HG LYS 41 -6.659 -0.225 -10.752 328 2HG LYS 41 1HG LYS 41 -7.554 1.110 -11.480 329 1HD LYS 41 2HD LYS 41 -7.002 -0.272 -13.318 330 2HD LYS 41 1HD LYS 41 -5.790 1.010 -13.367 331 1HE LYS 41 2HE LYS 41 -4.185 -0.447 -12.176 332 2HE LYS 41 1HE LYS 41 -5.400 -1.741 -12.128 333 1HZ LYS 41 1HZ LYS 41 -4.316 -0.435 -14.570 334 2HZ LYS 41 2HZ LYS 41 -5.564 -1.588 -14.558 335 3HZ LYS 41 3HZ LYS 41 -3.999 -2.022 -14.061 336 H VAL 42 H VAL 42 -5.945 3.245 -7.278 337 HA VAL 42 HA VAL 42 -4.337 5.572 -7.693 338 HB VAL 42 HB VAL 42 -4.031 5.387 -5.216 339 1HG1 VAL 42 1HG1 VAL 42 -6.065 6.336 -5.175 340 2HG1 VAL 42 2HG1 VAL 42 -6.798 4.732 -5.164 341 3HG1 VAL 42 3HG1 VAL 42 -6.483 5.547 -6.696 342 1HG2 VAL 42 1HG2 VAL 42 -3.915 3.264 -4.426 343 2HG2 VAL 42 2HG2 VAL 42 -4.739 2.608 -5.840 344 3HG2 VAL 42 3HG2 VAL 42 -5.677 3.275 -4.505 345 H GLN 43 H GLN 43 -2.664 4.641 -9.172 346 HA GLN 43 HA GLN 43 -0.722 2.749 -8.054 347 1HB GLN 43 2HB GLN 43 -0.884 2.435 -10.324 348 2HB GLN 43 1HB GLN 43 -1.406 4.092 -10.610 349 1HG GLN 43 2HG GLN 43 0.772 4.904 -10.709 350 2HG GLN 43 1HG GLN 43 1.426 3.552 -9.786 351 1HE2 GLN 43 1HE2 GLN 43 2.978 3.567 -11.785 352 2HE2 GLN 43 2HE2 GLN 43 2.499 2.637 -13.122 353 H LEU 44 H LEU 44 0.560 3.646 -6.437 354 HA LEU 44 HA LEU 44 1.234 6.415 -6.205 355 1HB LEU 44 2HB LEU 44 2.783 3.990 -5.247 356 2HB LEU 44 1HB LEU 44 2.831 5.607 -4.563 357 HG LEU 44 HG LEU 44 0.356 3.863 -4.643 358 1HD1 LEU 44 1HD1 LEU 44 1.183 4.432 -1.991 359 2HD1 LEU 44 2HD1 LEU 44 2.620 3.882 -2.848 360 3HD1 LEU 44 3HD1 LEU 44 1.179 2.869 -2.795 361 1HD2 LEU 44 1HD2 LEU 44 -0.161 5.732 -2.810 362 2HD2 LEU 44 2HD2 LEU 44 -0.486 6.009 -4.521 363 3HD2 LEU 44 3HD2 LEU 44 0.982 6.653 -3.787 364 H THR 45 H THR 45 2.400 7.508 -7.723 365 HA THR 45 HA THR 45 3.840 7.818 -9.595 366 HB THR 45 HB THR 45 5.237 8.560 -7.886 367 HG1 THR 45 HG1 THR 45 6.529 7.881 -9.580 368 1HG2 THR 45 1HG2 THR 45 5.426 5.691 -6.945 369 2HG2 THR 45 2HG2 THR 45 4.570 7.000 -6.142 370 3HG2 THR 45 3HG2 THR 45 6.328 7.025 -6.244 371 H GLY 46 H GLY 46 5.998 5.259 -8.560 372 1HA GLY 46 2HA GLY 46 4.919 3.433 -10.626 373 2HA GLY 46 1HA GLY 46 6.577 3.999 -10.817 374 H PHE 47 H PHE 47 5.223 3.369 -7.611 375 HA PHE 47 HA PHE 47 6.874 0.886 -7.529 376 1HB PHE 47 2HB PHE 47 7.936 1.598 -5.574 377 2HB PHE 47 1HB PHE 47 7.767 3.101 -6.463 378 HD1 PHE 47 HD1 PHE 47 7.209 1.511 -3.335 379 HD2 PHE 47 HD2 PHE 47 5.555 4.440 -5.989 380 HE1 PHE 47 HE1 PHE 47 5.987 2.537 -1.461 381 HE2 PHE 47 HE2 PHE 47 4.349 5.470 -4.111 382 HZ PHE 47 HZ PHE 47 4.552 4.526 -1.854 383 H LEU 48 H LEU 48 3.926 2.519 -6.442 384 HA LEU 48 HA LEU 48 3.029 -0.155 -5.439 385 1HB LEU 48 2HB LEU 48 2.718 2.598 -4.345 386 2HB LEU 48 1HB LEU 48 1.486 1.391 -3.990 387 HG LEU 48 HG LEU 48 4.435 1.268 -3.355 388 1HD1 LEU 48 1HD1 LEU 48 1.890 1.366 -1.742 389 2HD1 LEU 48 2HD1 LEU 48 3.274 2.456 -1.666 390 3HD1 LEU 48 3HD1 LEU 48 3.411 0.813 -1.041 391 1HD2 LEU 48 1HD2 LEU 48 2.389 -0.896 -3.590 392 2HD2 LEU 48 2HD2 LEU 48 3.500 -0.979 -2.222 393 3HD2 LEU 48 3HD2 LEU 48 4.129 -0.966 -3.869 394 H ASN 49 H ASN 49 2.070 -0.729 -7.392 395 HA ASN 49 HA ASN 49 0.093 1.043 -8.678 396 1HB ASN 49 2HB ASN 49 1.488 -1.541 -9.174 397 2HB ASN 49 1HB ASN 49 -0.080 -1.330 -9.953 398 1HD2 ASN 49 1HD2 ASN 49 0.839 -1.063 -12.102 399 2HD2 ASN 49 2HD2 ASN 49 1.727 0.320 -12.528 400 H ILE 50 H ILE 50 -1.470 1.145 -6.879 401 HA ILE 50 HA ILE 50 -2.725 -1.341 -5.945 402 HB ILE 50 HB ILE 50 -3.072 1.621 -5.481 403 1HG1 ILE 50 2HG1 ILE 50 -2.421 1.047 -3.219 404 2HG1 ILE 50 1HG1 ILE 50 -2.548 -0.677 -3.573 405 1HG2 ILE 50 1HG2 ILE 50 -5.344 0.757 -5.481 406 2HG2 ILE 50 2HG2 ILE 50 -4.845 1.005 -3.807 407 3HG2 ILE 50 3HG2 ILE 50 -4.859 -0.620 -4.492 408 1HD1 ILE 50 1HD1 ILE 50 -0.662 1.160 -5.053 409 2HD1 ILE 50 2HD1 ILE 50 -0.678 -0.603 -5.058 410 3HD1 ILE 50 3HD1 ILE 50 -0.190 0.269 -3.606 411 H LYS 51 H LYS 51 -4.621 -2.180 -6.666 412 HA LYS 51 HA LYS 51 -6.399 -0.593 -8.425 413 1HB LYS 51 2HB LYS 51 -6.217 -2.337 -10.228 414 2HB LYS 51 1HB LYS 51 -4.721 -1.442 -9.966 415 1HG LYS 51 2HG LYS 51 -3.776 -3.254 -8.683 416 2HG LYS 51 1HG LYS 51 -5.313 -4.118 -8.674 417 1HD LYS 51 2HD LYS 51 -4.115 -3.386 -11.315 418 2HD LYS 51 1HD LYS 51 -3.424 -4.745 -10.427 419 1HE LYS 51 2HE LYS 51 -5.540 -5.903 -10.386 420 2HE LYS 51 1HE LYS 51 -6.393 -4.478 -11.012 421 1HZ LYS 51 1HZ LYS 51 -5.055 -4.577 -13.011 422 2HZ LYS 51 2HZ LYS 51 -5.862 -6.055 -12.789 423 3HZ LYS 51 3HZ LYS 51 -4.209 -5.923 -12.420 424 HA PRO 52 HA PRO 52 -9.200 -3.103 -6.038 425 1HB PRO 52 2HB PRO 52 -11.483 -2.344 -7.353 426 2HB PRO 52 1HB PRO 52 -10.680 -1.337 -6.131 427 1HG PRO 52 2HG PRO 52 -10.491 -1.226 -9.108 428 2HG PRO 52 1HG PRO 52 -10.691 0.097 -7.944 429 1HD PRO 52 2HD PRO 52 -8.307 -0.441 -9.017 430 2HD PRO 52 1HD PRO 52 -8.459 0.061 -7.316 431 H VAL 53 H VAL 53 -10.051 -5.125 -6.301 432 HA VAL 53 HA VAL 53 -10.707 -6.159 -8.998 433 HB VAL 53 HB VAL 53 -9.201 -8.084 -8.666 434 1HG1 VAL 53 1HG1 VAL 53 -7.174 -6.928 -9.195 435 2HG1 VAL 53 2HG1 VAL 53 -7.657 -5.512 -8.262 436 3HG1 VAL 53 3HG1 VAL 53 -8.476 -5.892 -9.776 437 1HG2 VAL 53 1HG2 VAL 53 -8.514 -8.533 -6.561 438 2HG2 VAL 53 2HG2 VAL 53 -9.095 -6.970 -5.992 439 3HG2 VAL 53 3HG2 VAL 53 -7.466 -7.117 -6.651 440 H ALA 54 H ALA 54 -12.682 -7.076 -8.762 441 HA ALA 54 HA ALA 54 -13.878 -7.757 -6.273 442 1HB ALA 54 1HB ALA 54 -15.639 -7.628 -7.645 443 2HB ALA 54 2HB ALA 54 -15.178 -9.179 -8.348 444 3HB ALA 54 3HB ALA 54 -14.570 -7.678 -9.047 445 H ARG 55 H ARG 55 -13.831 -9.510 -5.020 446 HA ARG 55 HA ARG 55 -13.522 -12.216 -5.896 447 1HB ARG 55 2HB ARG 55 -11.188 -10.867 -6.075 448 2HB ARG 55 1HB ARG 55 -11.101 -11.357 -4.382 449 1HG ARG 55 2HG ARG 55 -11.802 -13.711 -5.316 450 2HG ARG 55 1HG ARG 55 -11.191 -13.075 -6.844 451 1HD ARG 55 2HD ARG 55 -9.005 -13.064 -6.118 452 2HD ARG 55 1HD ARG 55 -9.458 -12.683 -4.444 453 HE ARG 55 HE ARG 55 -10.165 -15.043 -4.183 454 1HH1 ARG 55 2HH1 ARG 55 -9.821 -14.900 -7.432 455 2HH1 ARG 55 1HH1 ARG 55 -8.680 -16.194 -7.589 456 1HH2 ARG 55 1HH2 ARG 55 -8.064 -16.417 -4.183 457 2HH2 ARG 55 2HH2 ARG 55 -7.684 -17.052 -5.749 458 H GLN 56 H GLN 56 -14.997 -12.907 -4.418 459 HA GLN 56 HA GLN 56 -14.305 -13.174 -1.635 460 1HB GLN 56 2HB GLN 56 -15.643 -11.583 -0.634 461 2HB GLN 56 1HB GLN 56 -15.107 -10.729 -2.072 462 1HG GLN 56 2HG GLN 56 -17.301 -10.405 -2.526 463 2HG GLN 56 1HG GLN 56 -17.353 -12.107 -2.955 464 1HE2 GLN 56 1HE2 GLN 56 -19.500 -12.487 -2.110 465 2HE2 GLN 56 2HE2 GLN 56 -19.848 -12.412 -0.450 466 H ALA 57 H ALA 57 -15.576 -14.496 -4.175 467 HA ALA 57 HA ALA 57 -17.381 -16.278 -2.744 468 1HB ALA 57 1HB ALA 57 -18.620 -14.068 -3.017 469 2HB ALA 57 2HB ALA 57 -19.438 -15.437 -3.767 470 3HB ALA 57 3HB ALA 57 -18.525 -14.302 -4.760 471 H ARG 58 H ARG 58 -18.446 -17.819 -4.374 472 HA ARG 58 HA ARG 58 -17.151 -17.858 -7.052 473 1HB ARG 58 2HB ARG 58 -16.421 -20.161 -6.699 474 2HB ARG 58 1HB ARG 58 -15.723 -19.113 -5.471 475 1HG ARG 58 2HG ARG 58 -18.343 -20.403 -4.848 476 2HG ARG 58 1HG ARG 58 -16.910 -21.430 -4.838 477 1HD ARG 58 2HD ARG 58 -15.833 -19.591 -3.357 478 2HD ARG 58 1HD ARG 58 -17.496 -19.017 -3.115 479 HE ARG 58 HE ARG 58 -16.403 -21.575 -2.150 480 1HH1 ARG 58 2HH1 ARG 58 -18.400 -19.442 -0.962 481 2HH1 ARG 58 1HH1 ARG 58 -19.817 -20.430 -0.830 482 1HH2 ARG 58 1HH2 ARG 58 -18.558 -22.963 -2.836 483 2HH2 ARG 58 2HH2 ARG 58 -19.907 -22.424 -1.893 484 H LYS 59 H LYS 59 -18.157 -19.828 -8.339 485 HA LYS 59 HA LYS 59 -20.766 -20.786 -7.479 486 1HB LYS 59 2HB LYS 59 -20.703 -18.182 -8.294 487 2HB LYS 59 1HB LYS 59 -21.066 -18.994 -9.807 488 1HG LYS 59 2HG LYS 59 -23.001 -20.074 -8.864 489 2HG LYS 59 1HG LYS 59 -22.577 -19.527 -7.242 490 1HD LYS 59 2HD LYS 59 -22.669 -17.140 -8.454 491 2HD LYS 59 1HD LYS 59 -23.799 -18.007 -9.495 492 1HE LYS 59 2HE LYS 59 -24.234 -18.525 -6.629 493 2HE LYS 59 1HE LYS 59 -24.485 -16.830 -7.096 494 1HZ LYS 59 1HZ LYS 59 -25.577 -19.138 -8.613 495 2HZ LYS 59 2HZ LYS 59 -25.926 -17.491 -8.851 496 3HZ LYS 59 3HZ LYS 59 -26.464 -18.283 -7.448 497 H GLY 60 H GLY 60 -21.629 -20.592 -10.452 498 1HA GLY 60 2HA GLY 60 -20.732 -23.178 -11.250 499 2HA GLY 60 1HA GLY 60 -21.545 -22.019 -12.301 500 H PHE 61 H PHE 61 -18.507 -23.380 -11.393 501 HA PHE 61 HA PHE 61 -16.644 -21.524 -12.376 502 1HB PHE 61 2HB PHE 61 -15.235 -23.550 -12.745 503 2HB PHE 61 1HB PHE 61 -16.085 -23.609 -11.202 504 HD1 PHE 61 HD1 PHE 61 -15.982 -24.931 -14.652 505 HD2 PHE 61 HD2 PHE 61 -17.842 -25.222 -10.799 506 HE1 PHE 61 HE1 PHE 61 -17.062 -27.054 -15.332 507 HE2 PHE 61 HE2 PHE 61 -18.911 -27.352 -11.472 508 HZ PHE 61 HZ PHE 61 -18.526 -28.269 -13.741 509 H ASN 62 H ASN 62 -15.356 -21.829 -14.466 510 HA ASN 62 HA ASN 62 -16.949 -21.272 -16.762 511 1HB ASN 62 2HB ASN 62 -14.242 -21.363 -15.938 512 2HB ASN 62 1HB ASN 62 -14.335 -22.405 -17.354 513 1HD2 ASN 62 1HD2 ASN 62 -16.215 -19.426 -16.610 514 2HD2 ASN 62 2HD2 ASN 62 -15.704 -18.576 -17.988 515 HA PRO 63 HA PRO 63 -17.666 -25.304 -18.466 516 1HB PRO 63 2HB PRO 63 -16.321 -25.588 -20.834 517 2HB PRO 63 1HB PRO 63 -17.739 -24.537 -20.651 518 1HG PRO 63 2HG PRO 63 -14.866 -23.831 -20.782 519 2HG PRO 63 1HG PRO 63 -16.279 -22.941 -21.365 520 1HD PRO 63 2HD PRO 63 -14.888 -22.376 -19.053 521 2HD PRO 63 1HD PRO 63 -16.552 -21.858 -19.386 522 H GLN 64 H GLN 64 -15.960 -25.656 -16.474 523 HA GLN 64 HA GLN 64 -14.035 -27.708 -17.446 524 1HB GLN 64 2HB GLN 64 -13.518 -25.422 -15.526 525 2HB GLN 64 1HB GLN 64 -12.371 -26.723 -15.848 526 1HG GLN 64 2HG GLN 64 -12.848 -26.000 -18.378 527 2HG GLN 64 1HG GLN 64 -13.215 -24.460 -17.600 528 1HE2 GLN 64 1HE2 GLN 64 -10.858 -25.062 -19.314 529 2HE2 GLN 64 2HE2 GLN 64 -9.491 -24.790 -18.347 530 H THR 65 H THR 65 -13.651 -26.925 -14.161 531 HA THR 65 HA THR 65 -15.860 -28.380 -13.010 532 HB THR 65 HB THR 65 -14.788 -30.224 -14.228 533 HG1 THR 65 HG1 THR 65 -14.631 -31.574 -12.506 534 1HG2 THR 65 1HG2 THR 65 -12.508 -29.116 -14.234 535 2HG2 THR 65 2HG2 THR 65 -12.494 -30.842 -13.874 536 3HG2 THR 65 3HG2 THR 65 -12.319 -29.669 -12.569 537 H GLN 66 H GLN 66 -14.005 -26.011 -12.516 538 HA GLN 66 HA GLN 66 -13.820 -26.298 -9.649 539 1HB GLN 66 2HB GLN 66 -11.318 -26.314 -9.539 540 2HB GLN 66 1HB GLN 66 -11.984 -27.778 -10.260 541 1HG GLN 66 2HG GLN 66 -11.633 -25.902 -12.371 542 2HG GLN 66 1HG GLN 66 -10.151 -25.889 -11.417 543 1HE2 GLN 66 1HE2 GLN 66 -10.765 -27.126 -14.154 544 2HE2 GLN 66 2HE2 GLN 66 -10.287 -28.746 -13.997 545 H GLU 67 H GLU 67 -12.934 -24.502 -12.563 546 HA GLU 67 HA GLU 67 -11.975 -22.139 -11.181 547 1HB GLU 67 2HB GLU 67 -12.680 -23.025 -13.926 548 2HB GLU 67 1HB GLU 67 -12.769 -21.286 -13.643 549 1HG GLU 67 2HG GLU 67 -10.448 -21.418 -12.651 550 2HG GLU 67 1HG GLU 67 -10.377 -23.091 -13.206 551 H ALA 68 H ALA 68 -14.008 -22.414 -9.662 552 HA ALA 68 HA ALA 68 -16.607 -21.580 -10.517 553 1HB ALA 68 1HB ALA 68 -15.245 -21.251 -7.836 554 2HB ALA 68 2HB ALA 68 -15.913 -22.775 -8.422 555 3HB ALA 68 3HB ALA 68 -16.977 -21.400 -8.128 556 H LEU 69 H LEU 69 -17.412 -19.533 -10.935 557 HA LEU 69 HA LEU 69 -16.415 -17.126 -9.678 558 1HB LEU 69 2HB LEU 69 -15.328 -16.187 -11.722 559 2HB LEU 69 1HB LEU 69 -14.495 -17.617 -11.116 560 HG LEU 69 HG LEU 69 -16.406 -18.674 -12.845 561 1HD1 LEU 69 1HD1 LEU 69 -17.027 -16.951 -14.191 562 2HD1 LEU 69 2HD1 LEU 69 -15.424 -17.127 -14.905 563 3HD1 LEU 69 3HD1 LEU 69 -15.700 -15.926 -13.645 564 1HD2 LEU 69 1HD2 LEU 69 -14.546 -19.504 -13.962 565 2HD2 LEU 69 2HD2 LEU 69 -13.796 -19.002 -12.447 566 3HD2 LEU 69 3HD2 LEU 69 -13.678 -17.971 -13.873 567 H GLU 70 H GLU 70 -19.031 -17.852 -9.871 568 HA GLU 70 HA GLU 70 -20.087 -16.011 -12.004 569 1HB GLU 70 2HB GLU 70 -20.399 -18.825 -11.741 570 2HB GLU 70 1HB GLU 70 -21.959 -18.097 -11.361 571 1HG GLU 70 2HG GLU 70 -21.662 -16.696 -13.480 572 2HG GLU 70 1HG GLU 70 -20.327 -17.775 -13.886 573 H ILE 71 H ILE 71 -19.598 -15.957 -8.923 574 HA ILE 71 HA ILE 71 -22.322 -15.245 -8.008 575 HB ILE 71 HB ILE 71 -20.928 -17.156 -7.134 576 1HG1 ILE 71 2HG1 ILE 71 -21.546 -15.001 -5.143 577 2HG1 ILE 71 1HG1 ILE 71 -22.745 -16.061 -5.881 578 1HG2 ILE 71 1HG2 ILE 71 -19.224 -16.234 -5.409 579 2HG2 ILE 71 2HG2 ILE 71 -19.155 -14.847 -6.481 580 3HG2 ILE 71 3HG2 ILE 71 -18.743 -16.449 -7.082 581 1HD1 ILE 71 1HD1 ILE 71 -21.770 -16.772 -3.583 582 2HD1 ILE 71 2HD1 ILE 71 -20.318 -17.183 -4.495 583 3HD1 ILE 71 3HD1 ILE 71 -21.844 -17.988 -4.858 584 H ALA 72 H ALA 72 -20.794 -13.952 -5.711 585 HA ALA 72 HA ALA 72 -20.344 -11.365 -7.092 586 1HB ALA 72 1HB ALA 72 -22.361 -11.868 -5.606 587 2HB ALA 72 2HB ALA 72 -21.478 -10.376 -5.282 588 3HB ALA 72 3HB ALA 72 -21.224 -11.792 -4.260 589 HA PRO 73 HA PRO 73 -16.319 -12.159 -4.966 590 1HB PRO 73 2HB PRO 73 -14.791 -11.235 -7.045 591 2HB PRO 73 1HB PRO 73 -15.326 -12.916 -6.912 592 1HG PRO 73 2HG PRO 73 -16.454 -10.691 -8.539 593 2HG PRO 73 1HG PRO 73 -16.208 -12.390 -8.972 594 1HD PRO 73 2HD PRO 73 -18.626 -11.404 -8.269 595 2HD PRO 73 1HD PRO 73 -18.134 -13.075 -7.928 596 H SER 74 H SER 74 -15.822 -10.541 -3.565 597 HA SER 74 HA SER 74 -16.563 -7.776 -3.929 598 1HB SER 74 2HB SER 74 -16.604 -9.059 -1.770 599 2HB SER 74 1HB SER 74 -14.844 -8.996 -1.782 600 HG SER 74 HG SER 74 -15.491 -7.244 -0.639 601 H VAL 75 H VAL 75 -15.407 -6.139 -4.695 602 HA VAL 75 HA VAL 75 -12.907 -6.419 -5.925 603 HB VAL 75 HB VAL 75 -14.418 -4.082 -4.819 604 1HG1 VAL 75 1HG1 VAL 75 -11.984 -3.555 -4.796 605 2HG1 VAL 75 2HG1 VAL 75 -12.853 -2.612 -6.003 606 3HG1 VAL 75 3HG1 VAL 75 -11.901 -4.010 -6.496 607 1HG2 VAL 75 1HG2 VAL 75 -15.084 -3.734 -7.051 608 2HG2 VAL 75 2HG2 VAL 75 -15.135 -5.487 -6.869 609 3HG2 VAL 75 3HG2 VAL 75 -13.768 -4.724 -7.683 610 H GLY 76 H GLY 76 -10.871 -6.270 -5.263 611 1HA GLY 76 2HA GLY 76 -10.358 -5.713 -2.370 612 2HA GLY 76 1HA GLY 76 -9.563 -7.051 -3.210 613 H VAL 77 H VAL 77 -9.409 -3.734 -2.503 614 HA VAL 77 HA VAL 77 -8.081 -2.582 -4.642 615 HB VAL 77 HB VAL 77 -8.831 -1.484 -2.528 616 1HG1 VAL 77 1HG1 VAL 77 -6.277 -2.257 -1.192 617 2HG1 VAL 77 2HG1 VAL 77 -7.571 -3.453 -1.225 618 3HG1 VAL 77 3HG1 VAL 77 -7.844 -1.880 -0.480 619 1HG2 VAL 77 1HG2 VAL 77 -6.978 -0.581 -4.135 620 2HG2 VAL 77 2HG2 VAL 77 -5.880 -0.959 -2.808 621 3HG2 VAL 77 3HG2 VAL 77 -7.191 0.195 -2.566 622 H SER 78 H SER 78 -6.708 -4.169 -5.626 623 HA SER 78 HA SER 78 -4.679 -5.692 -4.355 624 1HB SER 78 2HB SER 78 -5.693 -5.497 -6.834 625 2HB SER 78 1HB SER 78 -4.215 -4.573 -7.082 626 HG SER 78 HG SER 78 -4.515 -7.201 -6.964 627 H VAL 79 H VAL 79 -2.251 -5.174 -5.339 628 HA VAL 79 HA VAL 79 -1.400 -2.395 -5.122 629 HB VAL 79 HB VAL 79 -2.072 -3.292 -2.775 630 1HG1 VAL 79 1HG1 VAL 79 -0.815 -4.911 -1.767 631 2HG1 VAL 79 2HG1 VAL 79 0.671 -4.405 -2.571 632 3HG1 VAL 79 3HG1 VAL 79 -0.505 -5.401 -3.431 633 1HG2 VAL 79 1HG2 VAL 79 -0.953 -1.367 -2.378 634 2HG2 VAL 79 2HG2 VAL 79 0.226 -1.697 -3.644 635 3HG2 VAL 79 3HG2 VAL 79 0.444 -2.388 -2.038 636 H LYS 80 H LYS 80 1.292 -2.854 -4.380 637 HA LYS 80 HA LYS 80 2.278 -5.192 -5.830 638 1HB LYS 80 2HB LYS 80 1.860 -2.574 -7.041 639 2HB LYS 80 1HB LYS 80 3.540 -3.091 -7.175 640 1HG LYS 80 2HG LYS 80 2.287 -5.407 -7.816 641 2HG LYS 80 1HG LYS 80 1.100 -4.244 -8.408 642 1HD LYS 80 2HD LYS 80 3.082 -3.055 -9.541 643 2HD LYS 80 1HD LYS 80 3.995 -4.529 -9.217 644 1HE LYS 80 2HE LYS 80 1.342 -5.021 -10.415 645 2HE LYS 80 1HE LYS 80 2.467 -4.140 -11.468 646 1HZ LYS 80 1HZ LYS 80 2.697 -6.624 -11.527 647 2HZ LYS 80 2HZ LYS 80 3.242 -6.550 -9.919 648 3HZ LYS 80 3HZ LYS 80 4.123 -5.783 -11.154 649 HA PRO 81 HA PRO 81 6.011 -4.082 -3.632 650 1HB PRO 81 2HB PRO 81 7.717 -5.608 -5.129 651 2HB PRO 81 1HB PRO 81 6.446 -6.331 -4.122 652 1HG PRO 81 2HG PRO 81 6.638 -6.254 -7.007 653 2HG PRO 81 1HG PRO 81 5.476 -7.121 -5.993 654 1HD PRO 81 2HD PRO 81 5.185 -4.500 -7.338 655 2HD PRO 81 1HD PRO 81 3.930 -5.620 -6.758 656 H GLY 82 H GLY 82 6.085 -1.744 -4.423 657 1HA GLY 82 2HA GLY 82 7.176 -0.940 -6.893 658 2HA GLY 82 1HA GLY 82 7.254 0.015 -5.420 659 H GLU 83 H GLU 83 9.145 -1.270 -7.762 660 HA GLU 83 HA GLU 83 11.358 -2.422 -6.361 661 1HB GLU 83 2HB GLU 83 12.549 -1.991 -8.437 662 2HB GLU 83 1HB GLU 83 10.896 -2.447 -8.844 663 1HG GLU 83 2HG GLU 83 10.389 0.083 -8.836 664 2HG GLU 83 1HG GLU 83 12.139 0.304 -8.873 665 H SER 84 H SER 84 10.448 0.921 -7.088 666 HA SER 84 HA SER 84 12.817 2.285 -6.355 667 1HB SER 84 2HB SER 84 10.275 2.935 -7.117 668 2HB SER 84 1HB SER 84 10.221 3.385 -5.414 669 HG SER 84 HG SER 84 11.757 4.412 -7.512 670 H LEU 85 H LEU 85 10.338 0.714 -4.435 671 HA LEU 85 HA LEU 85 11.383 1.696 -1.862 672 1HB LEU 85 2HB LEU 85 8.973 1.308 -2.254 673 2HB LEU 85 1HB LEU 85 9.301 -0.376 -2.651 674 HG LEU 85 HG LEU 85 10.295 0.646 -0.030 675 1HD1 LEU 85 1HD1 LEU 85 8.227 0.669 1.023 676 2HD1 LEU 85 2HD1 LEU 85 7.480 -0.367 -0.193 677 3HD1 LEU 85 3HD1 LEU 85 7.782 1.333 -0.549 678 1HD2 LEU 85 1HD2 LEU 85 10.805 -1.574 -0.137 679 2HD2 LEU 85 2HD2 LEU 85 9.580 -1.895 -1.363 680 3HD2 LEU 85 3HD2 LEU 85 9.121 -1.794 0.336 681 H LYS 86 H LYS 86 11.478 -1.209 -3.883 682 HA LYS 86 HA LYS 86 12.824 -2.854 -1.908 683 1HB LYS 86 2HB LYS 86 11.640 -3.082 -4.512 684 2HB LYS 86 1HB LYS 86 13.266 -3.761 -4.582 685 1HG LYS 86 2HG LYS 86 12.792 -5.262 -2.750 686 2HG LYS 86 1HG LYS 86 11.236 -4.487 -2.453 687 1HD LYS 86 2HD LYS 86 10.421 -6.153 -3.776 688 2HD LYS 86 1HD LYS 86 10.994 -5.134 -5.096 689 1HE LYS 86 2HE LYS 86 12.794 -6.502 -5.548 690 2HE LYS 86 1HE LYS 86 12.991 -6.973 -3.846 691 1HZ LYS 86 1HZ LYS 86 10.828 -8.154 -4.048 692 2HZ LYS 86 2HZ LYS 86 12.064 -8.825 -5.001 693 3HZ LYS 86 3HZ LYS 86 10.863 -7.861 -5.718 694 H LYS 87 H LYS 87 13.826 -1.060 -4.774 695 HA LYS 87 HA LYS 87 16.631 -1.676 -4.582 696 1HB LYS 87 2HB LYS 87 15.535 -0.802 -6.619 697 2HB LYS 87 1HB LYS 87 15.084 0.671 -5.759 698 1HG LYS 87 2HG LYS 87 17.060 1.161 -7.062 699 2HG LYS 87 1HG LYS 87 17.540 1.099 -5.366 700 1HD LYS 87 2HD LYS 87 18.622 -0.955 -5.605 701 2HD LYS 87 1HD LYS 87 17.681 -1.396 -7.030 702 1HE LYS 87 2HE LYS 87 18.912 0.111 -8.431 703 2HE LYS 87 1HE LYS 87 19.664 0.900 -7.030 704 1HZ LYS 87 1HZ LYS 87 20.792 -1.099 -6.465 705 2HZ LYS 87 2HZ LYS 87 21.084 -0.822 -8.115 706 3HZ LYS 87 3HZ LYS 87 19.948 -1.992 -7.634 707 H ALA 88 H ALA 88 14.464 0.794 -3.306 708 HA ALA 88 HA ALA 88 16.436 2.414 -1.984 709 1HB ALA 88 1HB ALA 88 14.375 2.926 -0.525 710 2HB ALA 88 2HB ALA 88 13.506 1.771 -1.537 711 3HB ALA 88 3HB ALA 88 14.193 3.231 -2.251 712 H ALA 89 H ALA 89 14.659 -0.545 -1.235 713 HA ALA 89 HA ALA 89 15.355 -0.863 1.501 714 1HB ALA 89 1HB ALA 89 14.446 -2.984 1.205 715 2HB ALA 89 2HB ALA 89 15.274 -3.233 -0.332 716 3HB ALA 89 3HB ALA 89 13.841 -2.209 -0.259 717 H GLU 90 H GLU 90 17.146 -1.711 -1.449 718 HA GLU 90 HA GLU 90 19.361 -3.034 -0.225 719 1HB GLU 90 2HB GLU 90 19.273 -1.112 -2.586 720 2HB GLU 90 1HB GLU 90 20.553 -2.280 -2.269 721 1HG GLU 90 2HG GLU 90 17.836 -3.435 -2.309 722 2HG GLU 90 1HG GLU 90 18.374 -2.778 -3.855 723 H GLY 91 H GLY 91 18.320 0.282 -0.447 724 1HA GLY 91 2HA GLY 91 20.730 1.577 0.425 725 2HA GLY 91 1HA GLY 91 19.107 2.257 0.533 726 H LEU 92 H LEU 92 17.778 0.578 2.342 727 HA LEU 92 HA LEU 92 18.815 1.433 4.862 728 1HB LEU 92 2HB LEU 92 16.885 0.425 5.648 729 2HB LEU 92 1HB LEU 92 16.496 0.440 3.936 730 HG LEU 92 HG LEU 92 17.649 -1.884 3.881 731 1HD1 LEU 92 1HD1 LEU 92 16.673 -2.291 6.635 732 2HD1 LEU 92 2HD1 LEU 92 18.123 -1.291 6.534 733 3HD1 LEU 92 3HD1 LEU 92 18.126 -2.920 5.857 734 1HD2 LEU 92 1HD2 LEU 92 14.944 -1.101 4.865 735 2HD2 LEU 92 2HD2 LEU 92 15.384 -2.806 4.965 736 3HD2 LEU 92 3HD2 LEU 92 15.396 -1.982 3.405 737 H LYS 93 H LYS 93 19.206 -1.533 3.055 738 HA LYS 93 HA LYS 93 21.657 -2.463 3.518 739 1HB LYS 93 2HB LYS 93 21.623 -2.054 5.909 740 2HB LYS 93 1HB LYS 93 20.072 -2.879 6.079 741 1HG LYS 93 2HG LYS 93 21.108 -4.875 6.314 742 2HG LYS 93 1HG LYS 93 21.963 -4.646 4.790 743 1HD LYS 93 2HD LYS 93 22.828 -3.531 7.469 744 2HD LYS 93 1HD LYS 93 23.548 -4.914 6.647 745 1HE LYS 93 2HE LYS 93 23.847 -3.221 4.650 746 2HE LYS 93 1HE LYS 93 23.711 -1.998 5.929 747 1HZ LYS 93 1HZ LYS 93 26.004 -2.693 5.707 748 2HZ LYS 93 2HZ LYS 93 25.566 -4.321 5.910 749 3HZ LYS 93 3HZ LYS 93 25.391 -3.226 7.196 750 H TYR 94 H TYR 94 20.034 -3.298 1.633 751 HA TYR 94 HA TYR 94 18.199 -5.364 2.162 752 1HB TYR 94 2HB TYR 94 18.440 -4.821 -0.117 753 2HB TYR 94 1HB TYR 94 20.205 -4.882 -0.030 754 HD1 TYR 94 HD1 TYR 94 21.360 -6.851 -0.540 755 HD2 TYR 94 HD2 TYR 94 17.161 -7.065 0.326 756 HE1 TYR 94 HE1 TYR 94 21.359 -9.244 -1.184 757 HE2 TYR 94 HE2 TYR 94 17.157 -9.452 -0.342 758 HH TYR 94 HH TYR 94 19.656 -10.912 -2.032 759 H GLU 95 H GLU 95 21.721 -5.823 1.455 760 HA GLU 95 HA GLU 95 22.651 -8.122 1.963 761 1HB GLU 95 2HB GLU 95 22.405 -6.431 4.484 762 2HB GLU 95 1HB GLU 95 23.607 -7.687 4.205 763 1HG GLU 95 2HG GLU 95 23.505 -5.575 2.134 764 2HG GLU 95 1HG GLU 95 24.051 -5.040 3.723 765 H ASP 96 H ASP 96 19.943 -8.129 1.632 766 HA ASP 96 HA ASP 96 17.818 -8.736 2.555 767 1HB ASP 96 2HB ASP 96 19.757 -10.745 1.954 768 2HB ASP 96 1HB ASP 96 18.831 -11.302 3.343 769 H PHE 97 H PHE 97 19.328 -7.207 4.516 770 HA PHE 97 HA PHE 97 20.011 -7.303 6.835 771 1HB PHE 97 2HB PHE 97 17.370 -8.650 7.248 772 2HB PHE 97 1HB PHE 97 18.007 -7.212 8.040 773 HD1 PHE 97 HD1 PHE 97 15.385 -8.178 6.135 774 HD2 PHE 97 HD2 PHE 97 18.608 -5.347 5.981 775 HE1 PHE 97 HE1 PHE 97 14.063 -6.758 4.589 776 HE2 PHE 97 HE2 PHE 97 17.289 -3.928 4.432 777 HZ PHE 97 HZ PHE 97 15.017 -4.631 3.738 778 H ALA 98 H ALA 98 20.379 -9.347 4.884 779 HA ALA 98 HA ALA 98 19.899 -12.010 5.815 780 1HB ALA 98 1HB ALA 98 20.768 -12.393 3.751 781 2HB ALA 98 2HB ALA 98 22.214 -11.442 4.093 782 3HB ALA 98 3HB ALA 98 20.735 -10.646 3.586 783 H LYS 99 H LYS 99 22.433 -9.645 6.289 784 HA LYS 99 HA LYS 99 24.240 -11.572 7.639 785 1HB LYS 99 2HB LYS 99 24.300 -8.761 6.626 786 2HB LYS 99 1HB LYS 99 25.441 -9.193 7.900 787 1HG LYS 99 2HG LYS 99 26.083 -11.204 6.477 788 2HG LYS 99 1HG LYS 99 25.150 -10.469 5.173 789 1HD LYS 99 2HD LYS 99 26.599 -8.333 5.782 790 2HD LYS 99 1HD LYS 99 27.708 -9.546 6.424 791 1HE LYS 99 2HE LYS 99 26.562 -9.648 3.612 792 2HE LYS 99 1HE LYS 99 28.159 -8.982 4.010 793 1HZ LYS 99 1HZ LYS 99 28.655 -11.100 5.152 794 2HZ LYS 99 2HZ LYS 99 28.412 -11.295 3.482 795 3HZ LYS 99 3HZ LYS 99 27.190 -11.733 4.579 796 1H MET 1 1H MET 1 -6.260 7.020 -11.958 797 2H MET 1 2H MET 1 -5.142 5.792 -11.601 798 3H MET 1 3H MET 1 -4.668 7.131 -12.535 799 HA MET 1 HA MET 1 -5.036 8.593 -10.603 800 1HB MET 1 2HB MET 1 -6.682 6.657 -9.820 801 2HB MET 1 1HB MET 1 -5.245 6.116 -8.964 802 1HG MET 1 2HG MET 1 -5.986 7.540 -7.347 803 2HG MET 1 1HG MET 1 -5.193 8.753 -8.347 804 1HE MET 1 1HE MET 1 -7.287 11.025 -7.675 805 2HE MET 1 2HE MET 1 -6.619 9.787 -6.614 806 3HE MET 1 3HE MET 1 -8.361 10.037 -6.675 807 H ASN 2 H ASN 2 -3.186 8.988 -9.220 808 HA ASN 2 HA ASN 2 -1.316 7.012 -8.496 809 1HB ASN 2 2HB ASN 2 0.481 7.548 -10.199 810 2HB ASN 2 1HB ASN 2 -0.928 6.742 -10.877 811 1HD2 ASN 2 1HD2 ASN 2 -0.807 7.694 -12.993 812 2HD2 ASN 2 2HD2 ASN 2 -1.023 9.357 -13.260 813 H LYS 3 H LYS 3 1.121 8.461 -8.713 814 HA LYS 3 HA LYS 3 1.073 10.164 -6.477 815 1HB LYS 3 2HB LYS 3 2.893 9.363 -8.580 816 2HB LYS 3 1HB LYS 3 3.120 11.075 -8.222 817 1HG LYS 3 2HG LYS 3 2.887 9.959 -5.695 818 2HG LYS 3 1HG LYS 3 3.773 8.720 -6.580 819 1HD LYS 3 2HD LYS 3 5.113 10.904 -7.438 820 2HD LYS 3 1HD LYS 3 4.596 11.494 -5.862 821 1HE LYS 3 2HE LYS 3 6.171 10.219 -4.804 822 2HE LYS 3 1HE LYS 3 5.642 8.767 -5.666 823 1HZ LYS 3 1HZ LYS 3 7.954 9.623 -6.197 824 2HZ LYS 3 2HZ LYS 3 7.189 10.907 -7.003 825 3HZ LYS 3 3HZ LYS 3 6.945 9.308 -7.521 826 H THR 4 H THR 4 -0.260 10.835 -9.569 827 HA THR 4 HA THR 4 -0.095 13.794 -9.108 828 HB THR 4 HB THR 4 -0.620 12.019 -11.504 829 HG1 THR 4 HG1 THR 4 1.209 14.127 -11.012 830 1HG2 THR 4 1HG2 THR 4 -0.875 14.233 -12.757 831 2HG2 THR 4 2HG2 THR 4 -1.146 14.978 -11.181 832 3HG2 THR 4 3HG2 THR 4 -2.252 13.736 -11.771 833 H GLU 5 H GLU 5 -2.429 11.263 -10.106 834 HA GLU 5 HA GLU 5 -4.748 12.926 -9.750 835 1HB GLU 5 2HB GLU 5 -4.048 10.155 -10.342 836 2HB GLU 5 1HB GLU 5 -5.508 10.273 -9.364 837 1HG GLU 5 2HG GLU 5 -5.972 12.247 -11.175 838 2HG GLU 5 1HG GLU 5 -5.032 11.125 -12.159 839 H LEU 6 H LEU 6 -2.959 10.712 -7.609 840 HA LEU 6 HA LEU 6 -4.825 11.016 -5.388 841 1HB LEU 6 2HB LEU 6 -1.994 10.014 -5.752 842 2HB LEU 6 1HB LEU 6 -2.711 10.127 -4.146 843 HG LEU 6 HG LEU 6 -4.156 8.724 -6.388 844 1HD1 LEU 6 1HD1 LEU 6 -2.633 7.098 -4.425 845 2HD1 LEU 6 2HD1 LEU 6 -1.677 7.906 -5.668 846 3HD1 LEU 6 3HD1 LEU 6 -2.961 6.789 -6.131 847 1HD2 LEU 6 1HD2 LEU 6 -5.651 8.875 -4.645 848 2HD2 LEU 6 2HD2 LEU 6 -4.378 9.015 -3.431 849 3HD2 LEU 6 3HD2 LEU 6 -4.786 7.436 -4.103 850 H ILE 7 H ILE 7 -2.070 12.779 -6.650 851 HA ILE 7 HA ILE 7 -1.418 14.395 -4.394 852 HB ILE 7 HB ILE 7 -1.049 14.344 -7.309 853 1HG1 ILE 7 2HG1 ILE 7 0.564 15.431 -4.996 854 2HG1 ILE 7 1HG1 ILE 7 0.723 13.837 -5.715 855 1HG2 ILE 7 1HG2 ILE 7 -1.508 16.975 -5.923 856 2HG2 ILE 7 2HG2 ILE 7 -2.050 16.456 -7.517 857 3HG2 ILE 7 3HG2 ILE 7 -0.358 16.866 -7.253 858 1HD1 ILE 7 1HD1 ILE 7 1.112 15.185 -7.939 859 2HD1 ILE 7 2HD1 ILE 7 2.439 14.986 -6.794 860 3HD1 ILE 7 3HD1 ILE 7 1.529 16.497 -6.838 861 H LYS 8 H LYS 8 -3.521 15.175 -7.153 862 HA LYS 8 HA LYS 8 -4.809 17.404 -5.910 863 1HB LYS 8 2HB LYS 8 -6.517 16.991 -7.756 864 2HB LYS 8 1HB LYS 8 -4.852 17.166 -8.302 865 1HG LYS 8 2HG LYS 8 -5.378 15.257 -9.460 866 2HG LYS 8 1HG LYS 8 -4.899 14.498 -7.947 867 1HD LYS 8 2HD LYS 8 -7.129 14.175 -7.258 868 2HD LYS 8 1HD LYS 8 -7.745 15.366 -8.405 869 1HE LYS 8 2HE LYS 8 -6.774 13.763 -10.229 870 2HE LYS 8 1HE LYS 8 -6.815 12.548 -8.935 871 1HZ LYS 8 1HZ LYS 8 -8.933 12.530 -10.009 872 2HZ LYS 8 2HZ LYS 8 -9.075 14.220 -9.897 873 3HZ LYS 8 3HZ LYS 8 -9.138 13.264 -8.494 874 H ALA 9 H ALA 9 -5.308 13.940 -5.639 875 HA ALA 9 HA ALA 9 -8.013 13.924 -4.688 876 1HB ALA 9 1HB ALA 9 -7.428 11.744 -3.922 877 2HB ALA 9 2HB ALA 9 -5.739 12.198 -3.698 878 3HB ALA 9 3HB ALA 9 -6.397 12.020 -5.326 879 H ILE 10 H ILE 10 -4.892 14.565 -3.120 880 HA ILE 10 HA ILE 10 -6.257 15.044 -0.536 881 HB ILE 10 HB ILE 10 -3.771 13.982 -1.439 882 1HG1 ILE 10 2HG1 ILE 10 -3.366 13.761 1.060 883 2HG1 ILE 10 1HG1 ILE 10 -4.857 14.673 1.298 884 1HG2 ILE 10 1HG2 ILE 10 -2.828 16.225 -1.528 885 2HG2 ILE 10 2HG2 ILE 10 -2.158 15.376 -0.135 886 3HG2 ILE 10 3HG2 ILE 10 -3.428 16.576 0.092 887 1HD1 ILE 10 1HD1 ILE 10 -4.504 11.872 0.560 888 2HD1 ILE 10 2HD1 ILE 10 -5.561 12.722 -0.567 889 3HD1 ILE 10 3HD1 ILE 10 -5.944 12.698 1.155 890 H ALA 11 H ALA 11 -4.466 16.582 -3.161 891 HA ALA 11 HA ALA 11 -4.161 19.194 -2.016 892 1HB ALA 11 1HB ALA 11 -3.432 17.950 -4.294 893 2HB ALA 11 2HB ALA 11 -3.437 19.704 -4.127 894 3HB ALA 11 3HB ALA 11 -4.796 18.891 -4.897 895 H GLN 12 H GLN 12 -6.889 17.473 -3.344 896 HA GLN 12 HA GLN 12 -8.547 19.924 -3.460 897 1HB GLN 12 2HB GLN 12 -8.987 16.985 -4.098 898 2HB GLN 12 1HB GLN 12 -10.262 18.196 -4.240 899 1HG GLN 12 2HG GLN 12 -7.590 18.441 -5.641 900 2HG GLN 12 1HG GLN 12 -9.008 17.709 -6.391 901 1HE2 GLN 12 1HE2 GLN 12 -7.509 20.374 -6.910 902 2HE2 GLN 12 2HE2 GLN 12 -8.747 21.535 -6.909 903 H ASP 13 H ASP 13 -8.307 16.838 -1.670 904 HA ASP 13 HA ASP 13 -10.501 17.399 0.131 905 1HB ASP 13 2HB ASP 13 -8.094 15.607 0.015 906 2HB ASP 13 1HB ASP 13 -8.943 15.767 1.553 907 H THR 14 H THR 14 -7.192 18.395 -0.165 908 HA THR 14 HA THR 14 -7.097 19.696 2.493 909 HB THR 14 HB THR 14 -4.790 20.332 1.481 910 HG1 THR 14 HG1 THR 14 -4.324 18.754 -0.257 911 1HG2 THR 14 1HG2 THR 14 -4.914 17.391 1.408 912 2HG2 THR 14 2HG2 THR 14 -5.613 18.123 2.851 913 3HG2 THR 14 3HG2 THR 14 -3.934 18.448 2.422 914 H GLY 15 H GLY 15 -6.064 20.828 -0.722 915 1HA GLY 15 2HA GLY 15 -6.454 22.869 -1.829 916 2HA GLY 15 1HA GLY 15 -8.077 22.792 -1.146 917 H LEU 16 H LEU 16 -5.509 22.768 1.119 918 HA LEU 16 HA LEU 16 -6.331 25.341 2.258 919 1HB LEU 16 2HB LEU 16 -3.985 23.508 2.857 920 2HB LEU 16 1HB LEU 16 -4.560 24.809 3.898 921 HG LEU 16 HG LEU 16 -6.856 23.405 3.499 922 1HD1 LEU 16 1HD1 LEU 16 -4.768 21.288 3.930 923 2HD1 LEU 16 2HD1 LEU 16 -5.297 21.699 2.307 924 3HD1 LEU 16 3HD1 LEU 16 -6.456 21.085 3.478 925 1HD2 LEU 16 1HD2 LEU 16 -4.995 23.899 5.613 926 2HD2 LEU 16 2HD2 LEU 16 -5.470 22.206 5.713 927 3HD2 LEU 16 3HD2 LEU 16 -6.698 23.466 5.757 928 H THR 17 H THR 17 -3.302 24.036 1.047 929 HA THR 17 HA THR 17 -2.632 26.659 -0.156 930 HB THR 17 HB THR 17 -1.743 25.783 2.310 931 HG1 THR 17 HG1 THR 17 -0.344 27.423 0.465 932 1HG2 THR 17 1HG2 THR 17 0.681 25.266 1.930 933 2HG2 THR 17 2HG2 THR 17 0.323 25.050 0.224 934 3HG2 THR 17 3HG2 THR 17 -0.419 23.993 1.422 935 H GLN 18 H GLN 18 -3.089 23.436 -0.615 936 HA GLN 18 HA GLN 18 -2.293 21.876 -2.200 937 1HB GLN 18 2HB GLN 18 -0.876 24.240 -3.466 938 2HB GLN 18 1HB GLN 18 -1.562 22.829 -4.270 939 1HG GLN 18 2HG GLN 18 -3.796 23.770 -3.107 940 2HG GLN 18 1HG GLN 18 -2.915 25.288 -3.277 941 1HE2 GLN 18 1HE2 GLN 18 -4.720 22.876 -5.006 942 2HE2 GLN 18 2HE2 GLN 18 -4.511 23.531 -6.558 943 H VAL 19 H VAL 19 -0.857 22.858 0.220 944 HA VAL 19 HA VAL 19 1.468 23.197 0.932 945 HB VAL 19 HB VAL 19 0.570 21.458 2.149 946 1HG1 VAL 19 1HG1 VAL 19 0.254 19.943 -0.433 947 2HG1 VAL 19 2HG1 VAL 19 -1.011 20.608 0.600 948 3HG1 VAL 19 3HG1 VAL 19 -0.058 19.229 1.149 949 1HG2 VAL 19 1HG2 VAL 19 3.078 20.678 0.949 950 2HG2 VAL 19 2HG2 VAL 19 2.094 19.266 1.314 951 3HG2 VAL 19 3HG2 VAL 19 2.487 20.415 2.585 952 H SER 20 H SER 20 2.194 20.257 -0.674 953 HA SER 20 HA SER 20 3.734 21.655 -2.751 954 1HB SER 20 2HB SER 20 5.740 20.765 -2.024 955 2HB SER 20 1HB SER 20 4.922 20.893 -0.479 956 HG SER 20 HG SER 20 4.304 18.743 -0.688 957 H VAL 21 H VAL 21 1.210 20.004 -2.450 958 HA VAL 21 HA VAL 21 0.623 17.633 -3.036 959 HB VAL 21 HB VAL 21 -0.324 18.227 -5.274 960 1HG1 VAL 21 1HG1 VAL 21 -0.582 20.120 -2.943 961 2HG1 VAL 21 2HG1 VAL 21 -1.667 18.813 -3.413 962 3HG1 VAL 21 3HG1 VAL 21 -1.582 20.282 -4.386 963 1HG2 VAL 21 1HG2 VAL 21 0.008 20.660 -5.946 964 2HG2 VAL 21 2HG2 VAL 21 1.393 19.605 -6.216 965 3HG2 VAL 21 3HG2 VAL 21 1.371 20.690 -4.827 966 H SER 22 H SER 22 2.942 19.258 -5.028 967 HA SER 22 HA SER 22 3.660 16.852 -6.564 968 1HB SER 22 2HB SER 22 3.833 19.498 -7.019 969 2HB SER 22 1HB SER 22 5.450 19.235 -6.371 970 HG SER 22 HG SER 22 4.217 17.882 -8.547 971 H LYS 23 H LYS 23 5.026 18.638 -3.817 972 HA LYS 23 HA LYS 23 7.288 16.778 -3.641 973 1HB LYS 23 2HB LYS 23 6.631 19.440 -2.859 974 2HB LYS 23 1HB LYS 23 7.067 18.538 -1.408 975 1HG LYS 23 2HG LYS 23 8.984 17.699 -3.167 976 2HG LYS 23 1HG LYS 23 8.736 19.365 -3.689 977 1HD LYS 23 2HD LYS 23 9.593 18.362 -0.971 978 2HD LYS 23 1HD LYS 23 10.409 19.524 -2.015 979 1HE LYS 23 2HE LYS 23 7.998 20.778 -1.648 980 2HE LYS 23 1HE LYS 23 8.209 19.965 -0.084 981 1HZ LYS 23 1HZ LYS 23 10.510 20.813 -0.046 982 2HZ LYS 23 2HZ LYS 23 9.360 22.064 -0.030 983 3HZ LYS 23 3HZ LYS 23 10.198 21.694 -1.460 984 H MET 24 H MET 24 4.190 17.365 -1.878 985 HA MET 24 HA MET 24 4.988 15.630 0.298 986 1HB MET 24 2HB MET 24 2.202 15.491 0.181 987 2HB MET 24 1HB MET 24 3.147 16.601 1.153 988 1HG MET 24 2HG MET 24 2.625 18.389 -0.161 989 2HG MET 24 1HG MET 24 2.726 17.455 -1.653 990 1HE MET 24 1HE MET 24 0.019 15.854 -2.495 991 2HE MET 24 2HE MET 24 0.190 14.959 -0.988 992 3HE MET 24 3HE MET 24 1.627 15.507 -1.846 993 H LEU 25 H LEU 25 3.323 15.061 -2.845 994 HA LEU 25 HA LEU 25 3.034 12.210 -2.163 995 1HB LEU 25 2HB LEU 25 2.513 13.926 -4.587 996 2HB LEU 25 1HB LEU 25 2.331 12.176 -4.643 997 HG LEU 25 HG LEU 25 0.561 14.190 -3.491 998 1HD1 LEU 25 1HD1 LEU 25 0.166 12.204 -5.155 999 2HD1 LEU 25 2HD1 LEU 25 -1.082 12.571 -3.964 1000 3HD1 LEU 25 3HD1 LEU 25 0.030 11.231 -3.692 1001 1HD2 LEU 25 1HD2 LEU 25 -0.094 12.910 -1.486 1002 2HD2 LEU 25 2HD2 LEU 25 1.578 13.451 -1.353 1003 3HD2 LEU 25 3HD2 LEU 25 1.223 11.774 -1.772 1004 H ALA 26 H ALA 26 5.101 14.171 -4.343 1005 HA ALA 26 HA ALA 26 6.615 12.005 -5.427 1006 1HB ALA 26 1HB ALA 26 8.318 13.775 -5.811 1007 2HB ALA 26 2HB ALA 26 7.440 14.839 -4.713 1008 3HB ALA 26 3HB ALA 26 6.702 14.336 -6.235 1009 H SER 27 H SER 27 6.818 13.796 -2.395 1010 HA SER 27 HA SER 27 9.254 12.408 -1.518 1011 1HB SER 27 2HB SER 27 8.596 14.770 -0.904 1012 2HB SER 27 1HB SER 27 7.274 14.094 0.045 1013 HG SER 27 HG SER 27 8.918 12.873 1.172 1014 H PHE 28 H PHE 28 5.756 12.150 -1.155 1015 HA PHE 28 HA PHE 28 5.587 10.378 1.050 1016 1HB PHE 28 2HB PHE 28 3.520 11.042 0.349 1017 2HB PHE 28 1HB PHE 28 4.035 11.164 -1.324 1018 HD1 PHE 28 HD1 PHE 28 4.211 9.013 -2.724 1019 HD2 PHE 28 HD2 PHE 28 2.345 9.139 1.144 1020 HE1 PHE 28 HE1 PHE 28 2.935 6.990 -3.266 1021 HE2 PHE 28 HE2 PHE 28 1.076 7.114 0.598 1022 HZ PHE 28 HZ PHE 28 1.372 6.020 -1.601 1023 H GLU 29 H GLU 29 6.141 9.640 -2.415 1024 HA GLU 29 HA GLU 29 6.434 6.801 -1.918 1025 1HB GLU 29 2HB GLU 29 5.896 7.732 -4.136 1026 2HB GLU 29 1HB GLU 29 7.423 8.622 -4.142 1027 1HG GLU 29 2HG GLU 29 8.132 5.986 -3.524 1028 2HG GLU 29 1HG GLU 29 6.919 5.844 -4.788 1029 H LYS 30 H LYS 30 8.459 9.677 -1.990 1030 HA LYS 30 HA LYS 30 11.002 8.370 -1.755 1031 1HB LYS 30 2HB LYS 30 10.355 10.838 -2.281 1032 2HB LYS 30 1HB LYS 30 10.273 11.030 -0.528 1033 1HG LYS 30 2HG LYS 30 12.567 10.402 -0.258 1034 2HG LYS 30 1HG LYS 30 12.680 9.856 -1.932 1035 1HD LYS 30 2HD LYS 30 12.733 12.024 -2.781 1036 2HD LYS 30 1HD LYS 30 11.908 12.703 -1.377 1037 1HE LYS 30 2HE LYS 30 13.924 13.263 -0.510 1038 2HE LYS 30 1HE LYS 30 14.347 11.540 -0.441 1039 1HZ LYS 30 1HZ LYS 30 14.504 13.162 -2.922 1040 2HZ LYS 30 2HZ LYS 30 15.105 11.593 -2.673 1041 3HZ LYS 30 3HZ LYS 30 15.829 12.918 -1.892 1042 H ILE 31 H ILE 31 8.345 8.789 0.447 1043 HA ILE 31 HA ILE 31 10.153 8.023 2.691 1044 HB ILE 31 HB ILE 31 8.062 8.675 4.033 1045 1HG1 ILE 31 2HG1 ILE 31 7.122 10.750 2.522 1046 2HG1 ILE 31 1HG1 ILE 31 7.244 9.433 1.370 1047 1HG2 ILE 31 1HG2 ILE 31 10.314 9.889 3.722 1048 2HG2 ILE 31 2HG2 ILE 31 8.954 10.836 4.326 1049 3HG2 ILE 31 3HG2 ILE 31 9.425 10.951 2.631 1050 1HD1 ILE 31 1HD1 ILE 31 5.210 8.837 2.219 1051 2HD1 ILE 31 2HD1 ILE 31 5.495 9.693 3.735 1052 3HD1 ILE 31 3HD1 ILE 31 6.199 8.097 3.477 1053 H ILE 32 H ILE 32 7.462 7.100 0.740 1054 HA ILE 32 HA ILE 32 6.662 4.845 2.381 1055 HB ILE 32 HB ILE 32 6.278 5.328 -0.581 1056 1HG1 ILE 32 2HG1 ILE 32 5.300 6.853 1.573 1057 2HG1 ILE 32 1HG1 ILE 32 4.675 6.852 -0.074 1058 1HG2 ILE 32 1HG2 ILE 32 4.839 3.557 1.431 1059 2HG2 ILE 32 2HG2 ILE 32 5.902 3.005 0.143 1060 3HG2 ILE 32 3HG2 ILE 32 4.359 3.762 -0.254 1061 1HD1 ILE 32 1HD1 ILE 32 3.061 5.143 0.469 1062 2HD1 ILE 32 2HD1 ILE 32 2.936 6.415 1.686 1063 3HD1 ILE 32 3HD1 ILE 32 3.774 4.912 2.065 1064 H THR 33 H THR 33 8.344 5.184 -0.705 1065 HA THR 33 HA THR 33 9.377 2.522 -0.724 1066 HB THR 33 HB THR 33 9.357 4.918 -2.327 1067 HG1 THR 33 HG1 THR 33 9.045 3.443 -3.753 1068 1HG2 THR 33 1HG2 THR 33 11.671 5.253 -1.727 1069 2HG2 THR 33 2HG2 THR 33 11.603 4.642 -3.379 1070 3HG2 THR 33 3HG2 THR 33 12.042 3.563 -2.055 1071 H GLU 34 H GLU 34 10.644 5.694 0.316 1072 HA GLU 34 HA GLU 34 13.255 4.669 1.017 1073 1HB GLU 34 2HB GLU 34 11.694 7.157 1.695 1074 2HB GLU 34 1HB GLU 34 13.415 6.957 2.008 1075 1HG GLU 34 2HG GLU 34 12.090 6.781 -0.730 1076 2HG GLU 34 1HG GLU 34 13.065 8.133 -0.156 1077 H THR 35 H THR 35 10.280 5.349 3.048 1078 HA THR 35 HA THR 35 11.627 4.906 5.543 1079 HB THR 35 HB THR 35 8.754 4.345 4.760 1080 HG1 THR 35 HG1 THR 35 10.029 6.518 6.069 1081 1HG2 THR 35 1HG2 THR 35 9.706 3.148 6.835 1082 2HG2 THR 35 2HG2 THR 35 8.278 4.145 7.090 1083 3HG2 THR 35 3HG2 THR 35 9.869 4.754 7.543 1084 H VAL 36 H VAL 36 9.852 2.586 3.471 1085 HA VAL 36 HA VAL 36 10.334 0.288 5.063 1086 HB VAL 36 HB VAL 36 9.870 0.966 2.197 1087 1HG1 VAL 36 1HG1 VAL 36 11.445 -1.389 3.035 1088 2HG1 VAL 36 2HG1 VAL 36 11.312 -0.629 1.455 1089 3HG1 VAL 36 3HG1 VAL 36 10.071 -1.756 2.001 1090 1HG2 VAL 36 1HG2 VAL 36 8.314 -1.161 2.785 1091 2HG2 VAL 36 2HG2 VAL 36 7.882 0.495 3.208 1092 3HG2 VAL 36 3HG2 VAL 36 8.620 -0.557 4.413 1093 H ALA 37 H ALA 37 12.347 1.937 2.656 1094 HA ALA 37 HA ALA 37 14.635 0.161 3.280 1095 1HB ALA 37 1HB ALA 37 14.224 0.664 0.987 1096 2HB ALA 37 2HB ALA 37 15.655 1.575 1.470 1097 3HB ALA 37 3HB ALA 37 14.103 2.389 1.322 1098 H LYS 38 H LYS 38 13.289 2.546 4.907 1099 HA LYS 38 HA LYS 38 15.848 3.993 5.520 1100 1HB LYS 38 2HB LYS 38 13.525 5.145 4.965 1101 2HB LYS 38 1HB LYS 38 13.145 4.713 6.631 1102 1HG LYS 38 2HG LYS 38 14.063 6.906 6.747 1103 2HG LYS 38 1HG LYS 38 15.363 5.829 7.262 1104 1HD LYS 38 2HD LYS 38 16.239 7.466 5.668 1105 2HD LYS 38 1HD LYS 38 16.267 5.858 4.942 1106 1HE LYS 38 2HE LYS 38 14.734 6.425 3.349 1107 2HE LYS 38 1HE LYS 38 13.753 7.356 4.498 1108 1HZ LYS 38 1HZ LYS 38 15.321 9.136 4.437 1109 2HZ LYS 38 2HZ LYS 38 14.924 8.754 2.829 1110 3HZ LYS 38 3HZ LYS 38 16.402 8.236 3.488 1111 H GLY 39 H GLY 39 13.325 1.903 6.674 1112 1HA GLY 39 2HA GLY 39 14.302 0.276 8.347 1113 2HA GLY 39 1HA GLY 39 14.730 1.713 9.268 1114 H ASP 40 H ASP 40 11.658 1.295 7.495 1115 HA ASP 40 HA ASP 40 10.262 0.761 10.066 1116 1HB ASP 40 2HB ASP 40 10.567 3.360 8.800 1117 2HB ASP 40 1HB ASP 40 8.864 2.921 8.940 1118 H LYS 41 H LYS 41 7.746 0.865 9.517 1119 HA LYS 41 HA LYS 41 7.266 -0.331 6.820 1120 1HB LYS 41 2HB LYS 41 6.353 -1.295 9.554 1121 2HB LYS 41 1HB LYS 41 5.813 -1.985 8.024 1122 1HG LYS 41 2HG LYS 41 8.093 -2.627 7.456 1123 2HG LYS 41 1HG LYS 41 8.711 -1.831 8.904 1124 1HD LYS 41 2HD LYS 41 6.568 -3.847 9.322 1125 2HD LYS 41 1HD LYS 41 8.141 -4.469 8.822 1126 1HE LYS 41 2HE LYS 41 8.635 -4.364 11.056 1127 2HE LYS 41 1HE LYS 41 8.845 -2.627 10.757 1128 1HZ LYS 41 1HZ LYS 41 6.591 -2.215 11.299 1129 2HZ LYS 41 2HZ LYS 41 7.203 -3.194 12.545 1130 3HZ LYS 41 3HZ LYS 41 6.214 -3.869 11.340 1131 H VAL 42 H VAL 42 5.873 1.093 5.880 1132 HA VAL 42 HA VAL 42 4.273 3.025 7.233 1133 HB VAL 42 HB VAL 42 3.948 1.734 4.506 1134 1HG1 VAL 42 1HG1 VAL 42 2.000 2.972 4.716 1135 2HG1 VAL 42 2HG1 VAL 42 3.094 4.222 4.122 1136 3HG1 VAL 42 3HG1 VAL 42 2.728 4.115 5.844 1137 1HG2 VAL 42 1HG2 VAL 42 5.184 3.969 3.905 1138 2HG2 VAL 42 2HG2 VAL 42 6.126 2.602 4.504 1139 3HG2 VAL 42 3HG2 VAL 42 5.702 3.924 5.591 1140 H GLN 43 H GLN 43 2.155 2.967 7.973 1141 HA GLN 43 HA GLN 43 0.545 0.496 7.500 1142 1HB GLN 43 2HB GLN 43 1.106 1.810 10.183 1143 2HB GLN 43 1HB GLN 43 0.074 0.404 9.925 1144 1HG GLN 43 2HG GLN 43 2.185 -0.638 8.805 1145 2HG GLN 43 1HG GLN 43 3.061 0.619 9.676 1146 1HE2 GLN 43 1HE2 GLN 43 0.246 -1.459 10.589 1147 2HE2 GLN 43 2HE2 GLN 43 0.947 -2.021 12.029 1148 H LEU 44 H LEU 44 -0.666 2.020 6.079 1149 HA LEU 44 HA LEU 44 -1.828 4.465 6.923 1150 1HB LEU 44 2HB LEU 44 -2.192 2.403 4.835 1151 2HB LEU 44 1HB LEU 44 -3.600 3.417 5.130 1152 HG LEU 44 HG LEU 44 -0.842 4.572 4.758 1153 1HD1 LEU 44 1HD1 LEU 44 -1.171 3.509 2.674 1154 2HD1 LEU 44 2HD1 LEU 44 -1.816 5.123 2.407 1155 3HD1 LEU 44 3HD1 LEU 44 -2.910 3.780 2.708 1156 1HD2 LEU 44 1HD2 LEU 44 -2.557 5.969 5.836 1157 2HD2 LEU 44 2HD2 LEU 44 -3.659 5.669 4.495 1158 3HD2 LEU 44 3HD2 LEU 44 -2.179 6.593 4.232 1159 H THR 45 H THR 45 -3.199 4.735 8.616 1160 HA THR 45 HA THR 45 -4.641 3.995 10.409 1161 HB THR 45 HB THR 45 -6.041 5.338 9.119 1162 HG1 THR 45 HG1 THR 45 -7.583 4.184 9.981 1163 1HG2 THR 45 1HG2 THR 45 -5.291 5.016 6.913 1164 2HG2 THR 45 2HG2 THR 45 -6.945 4.412 6.853 1165 3HG2 THR 45 3HG2 THR 45 -5.599 3.284 6.960 1166 H GLY 46 H GLY 46 -6.412 2.065 8.066 1167 1HA GLY 46 2HA GLY 46 -5.334 -0.445 9.190 1168 2HA GLY 46 1HA GLY 46 -7.052 -0.126 9.432 1169 H PHE 47 H PHE 47 -4.922 0.433 6.582 1170 HA PHE 47 HA PHE 47 -6.404 -1.625 5.124 1171 1HB PHE 47 2HB PHE 47 -7.412 -0.193 3.536 1172 2HB PHE 47 1HB PHE 47 -7.750 0.520 5.103 1173 HD1 PHE 47 HD1 PHE 47 -6.927 2.693 5.682 1174 HD2 PHE 47 HD2 PHE 47 -5.624 0.821 2.040 1175 HE1 PHE 47 HE1 PHE 47 -5.974 4.835 4.917 1176 HE2 PHE 47 HE2 PHE 47 -4.674 2.972 1.297 1177 HZ PHE 47 HZ PHE 47 -4.859 4.966 2.728 1178 H LEU 48 H LEU 48 -3.893 0.912 4.918 1179 HA LEU 48 HA LEU 48 -2.515 -0.841 2.926 1180 1HB LEU 48 2HB LEU 48 -3.076 2.015 3.128 1181 2HB LEU 48 1HB LEU 48 -1.399 1.678 2.750 1182 HG LEU 48 HG LEU 48 -3.549 1.749 0.947 1183 1HD1 LEU 48 1HD1 LEU 48 -0.676 1.114 0.902 1184 2HD1 LEU 48 2HD1 LEU 48 -1.587 2.252 -0.076 1185 3HD1 LEU 48 3HD1 LEU 48 -1.588 0.537 -0.484 1186 1HD2 LEU 48 1HD2 LEU 48 -4.042 -0.625 1.770 1187 2HD2 LEU 48 2HD2 LEU 48 -2.514 -1.084 1.025 1188 3HD2 LEU 48 3HD2 LEU 48 -3.812 -0.431 0.036 1189 H ASN 49 H ASN 49 -1.022 -2.027 4.097 1190 HA ASN 49 HA ASN 49 0.730 -0.556 6.039 1191 1HB ASN 49 2HB ASN 49 -0.953 -2.913 6.143 1192 2HB ASN 49 1HB ASN 49 0.713 -3.306 6.561 1193 1HD2 ASN 49 1HD2 ASN 49 -1.746 -0.764 7.320 1194 2HD2 ASN 49 2HD2 ASN 49 -1.303 -0.618 8.952 1195 H ILE 50 H ILE 50 2.483 -0.231 4.570 1196 HA ILE 50 HA ILE 50 3.467 -2.510 2.987 1197 HB ILE 50 HB ILE 50 3.364 0.263 2.779 1198 1HG1 ILE 50 2HG1 ILE 50 3.313 -1.426 0.965 1199 2HG1 ILE 50 1HG1 ILE 50 4.440 -0.115 0.622 1200 1HG2 ILE 50 1HG2 ILE 50 6.239 -0.597 3.031 1201 2HG2 ILE 50 2HG2 ILE 50 5.382 0.424 4.183 1202 3HG2 ILE 50 3HG2 ILE 50 5.663 0.996 2.539 1203 1HD1 ILE 50 1HD1 ILE 50 5.885 -2.074 2.081 1204 2HD1 ILE 50 2HD1 ILE 50 6.077 -1.639 0.383 1205 3HD1 ILE 50 3HD1 ILE 50 4.972 -2.934 0.840 1206 H LYS 51 H LYS 51 5.415 -3.603 3.352 1207 HA LYS 51 HA LYS 51 7.228 -2.686 5.488 1208 1HB LYS 51 2HB LYS 51 6.859 -4.733 6.871 1209 2HB LYS 51 1HB LYS 51 5.431 -3.707 6.786 1210 1HG LYS 51 2HG LYS 51 4.379 -5.653 6.242 1211 2HG LYS 51 1HG LYS 51 5.005 -5.308 4.634 1212 1HD LYS 51 2HD LYS 51 5.568 -7.605 5.225 1213 2HD LYS 51 1HD LYS 51 7.046 -6.646 5.188 1214 1HE LYS 51 2HE LYS 51 6.952 -8.118 7.198 1215 2HE LYS 51 1HE LYS 51 6.944 -6.407 7.659 1216 1HZ LYS 51 1HZ LYS 51 5.153 -7.919 8.663 1217 2HZ LYS 51 2HZ LYS 51 4.420 -7.853 7.131 1218 3HZ LYS 51 3HZ LYS 51 4.662 -6.428 8.025 1219 HA PRO 52 HA PRO 52 9.734 -5.100 2.753 1220 1HB PRO 52 2HB PRO 52 12.135 -4.433 3.835 1221 2HB PRO 52 1HB PRO 52 11.179 -3.309 2.856 1222 1HG PRO 52 2HG PRO 52 11.660 -3.345 5.746 1223 2HG PRO 52 1HG PRO 52 11.192 -2.003 4.700 1224 1HD PRO 52 2HD PRO 52 9.524 -3.529 6.430 1225 2HD PRO 52 1HD PRO 52 9.044 -2.229 5.318 1226 H VAL 53 H VAL 53 10.739 -7.084 2.754 1227 HA VAL 53 HA VAL 53 11.720 -8.239 5.287 1228 HB VAL 53 HB VAL 53 10.417 -10.293 4.916 1229 1HG1 VAL 53 1HG1 VAL 53 9.549 -8.266 6.243 1230 2HG1 VAL 53 2HG1 VAL 53 8.342 -9.444 5.727 1231 3HG1 VAL 53 3HG1 VAL 53 8.533 -7.929 4.842 1232 1HG2 VAL 53 1HG2 VAL 53 8.393 -9.543 3.171 1233 2HG2 VAL 53 2HG2 VAL 53 9.731 -10.623 2.777 1234 3HG2 VAL 53 3HG2 VAL 53 9.842 -8.907 2.402 1235 H ALA 54 H ALA 54 13.750 -8.751 4.783 1236 HA ALA 54 HA ALA 54 14.974 -8.926 2.321 1237 1HB ALA 54 1HB ALA 54 16.423 -8.948 4.099 1238 2HB ALA 54 2HB ALA 54 16.490 -10.656 3.665 1239 3HB ALA 54 3HB ALA 54 15.475 -10.124 5.006 1240 H ARG 55 H ARG 55 14.642 -10.139 0.595 1241 HA ARG 55 HA ARG 55 14.120 -13.063 0.873 1242 1HB ARG 55 2HB ARG 55 12.411 -10.921 -0.333 1243 2HB ARG 55 1HB ARG 55 12.477 -12.472 -1.172 1244 1HG ARG 55 2HG ARG 55 12.008 -12.391 1.798 1245 2HG ARG 55 1HG ARG 55 10.668 -12.112 0.686 1246 1HD ARG 55 2HD ARG 55 10.466 -14.367 0.519 1247 2HD ARG 55 1HD ARG 55 12.019 -14.371 -0.339 1248 HE ARG 55 HE ARG 55 12.611 -14.161 2.419 1249 1HH1 ARG 55 1HH2 ARG 55 10.242 -16.206 1.301 1250 2HH1 ARG 55 2HH2 ARG 55 11.050 -17.682 1.717 1251 1HH2 ARG 55 2HH1 ARG 55 14.051 -16.129 2.498 1252 2HH2 ARG 55 1HH1 ARG 55 13.205 -17.638 2.394 1253 H GLN 56 H GLN 56 16.271 -13.413 0.082 1254 HA GLN 56 HA GLN 56 17.605 -12.100 -2.001 1255 1HB GLN 56 2HB GLN 56 18.868 -14.235 -2.182 1256 2HB GLN 56 1HB GLN 56 18.606 -13.751 -0.507 1257 1HG GLN 56 2HG GLN 56 16.411 -15.387 -1.539 1258 2HG GLN 56 1HG GLN 56 17.960 -16.228 -1.609 1259 1HE2 GLN 56 1HE2 GLN 56 19.314 -15.882 0.564 1260 2HE2 GLN 56 2HE2 GLN 56 18.422 -16.045 2.000 1261 H ALA 57 H ALA 57 18.228 -13.531 -4.093 1262 HA ALA 57 HA ALA 57 15.895 -13.460 -5.812 1263 1HB ALA 57 1HB ALA 57 17.537 -13.337 -7.362 1264 2HB ALA 57 2HB ALA 57 18.245 -14.861 -6.829 1265 3HB ALA 57 3HB ALA 57 18.678 -13.355 -6.018 1266 H ARG 58 H ARG 58 16.414 -15.668 -7.478 1267 HA ARG 58 HA ARG 58 16.166 -18.143 -5.897 1268 1HB ARG 58 2HB ARG 58 13.930 -16.659 -7.239 1269 2HB ARG 58 1HB ARG 58 13.866 -18.418 -7.159 1270 1HG ARG 58 2HG ARG 58 14.562 -17.859 -4.601 1271 2HG ARG 58 1HG ARG 58 13.627 -16.414 -4.985 1272 1HD ARG 58 2HD ARG 58 11.706 -17.585 -4.743 1273 2HD ARG 58 1HD ARG 58 12.228 -18.724 -6.001 1274 HE ARG 58 HE ARG 58 12.945 -20.195 -4.293 1275 1HH1 ARG 58 2HH1 ARG 58 11.135 -17.947 -2.775 1276 2HH1 ARG 58 1HH1 ARG 58 11.998 -17.944 -1.273 1277 1HH2 ARG 58 1HH2 ARG 58 14.665 -19.792 -2.495 1278 2HH2 ARG 58 2HH2 ARG 58 13.996 -18.988 -1.115 1279 H LYS 59 H LYS 59 15.622 -20.006 -7.551 1280 HA LYS 59 HA LYS 59 16.094 -19.609 -10.365 1281 1HB LYS 59 2HB LYS 59 18.331 -19.195 -8.864 1282 2HB LYS 59 1HB LYS 59 18.472 -20.924 -9.176 1283 1HG LYS 59 2HG LYS 59 19.350 -20.362 -11.179 1284 2HG LYS 59 1HG LYS 59 17.719 -19.876 -11.643 1285 1HD LYS 59 2HD LYS 59 18.129 -17.618 -11.245 1286 2HD LYS 59 1HD LYS 59 19.430 -17.953 -10.101 1287 1HE LYS 59 2HE LYS 59 20.875 -18.725 -11.957 1288 2HE LYS 59 1HE LYS 59 19.571 -18.377 -13.109 1289 1HZ LYS 59 1HZ LYS 59 21.182 -16.515 -12.807 1290 2HZ LYS 59 2HZ LYS 59 20.655 -16.380 -11.198 1291 3HZ LYS 59 3HZ LYS 59 19.572 -16.099 -12.477 1292 H GLY 60 H GLY 60 14.403 -21.194 -10.487 1293 1HA GLY 60 2HA GLY 60 14.005 -23.501 -11.094 1294 2HA GLY 60 1HA GLY 60 15.352 -23.976 -10.060 1295 H PHE 61 H PHE 61 12.384 -22.052 -9.490 1296 HA PHE 61 HA PHE 61 12.037 -23.210 -6.885 1297 1HB PHE 61 2HB PHE 61 11.419 -20.888 -7.609 1298 2HB PHE 61 1HB PHE 61 10.067 -21.603 -8.468 1299 HD1 PHE 61 HD1 PHE 61 8.355 -23.050 -7.034 1300 HD2 PHE 61 HD2 PHE 61 11.256 -20.366 -5.362 1301 HE1 PHE 61 HE1 PHE 61 7.057 -22.921 -4.970 1302 HE2 PHE 61 HE2 PHE 61 9.946 -20.244 -3.300 1303 HZ PHE 61 HZ PHE 61 7.850 -21.514 -3.079 1304 H ASN 62 H ASN 62 10.004 -24.304 -6.196 1305 HA ASN 62 HA ASN 62 7.918 -25.380 -7.282 1306 1HB ASN 62 2HB ASN 62 8.711 -25.815 -9.417 1307 2HB ASN 62 1HB ASN 62 10.239 -26.470 -8.825 1308 1HD2 ASN 62 1HD2 ASN 62 10.307 -28.728 -8.239 1309 2HD2 ASN 62 2HD2 ASN 62 8.999 -29.778 -8.500 1310 HA PRO 63 HA PRO 63 9.904 -28.945 -4.746 1311 1HB PRO 63 2HB PRO 63 12.128 -28.208 -3.307 1312 2HB PRO 63 1HB PRO 63 12.219 -29.018 -4.885 1313 1HG PRO 63 2HG PRO 63 12.495 -26.124 -4.227 1314 2HG PRO 63 1HG PRO 63 13.423 -27.116 -5.365 1315 1HD PRO 63 2HD PRO 63 11.473 -25.443 -6.170 1316 2HD PRO 63 1HD PRO 63 11.814 -26.967 -7.016 1317 H GLN 64 H GLN 64 9.723 -25.561 -4.154 1318 HA GLN 64 HA GLN 64 9.212 -25.634 -1.300 1319 1HB GLN 64 2HB GLN 64 9.360 -23.742 -3.507 1320 2HB GLN 64 1HB GLN 64 8.065 -23.354 -2.372 1321 1HG GLN 64 2HG GLN 64 10.084 -22.252 -1.610 1322 2HG GLN 64 1HG GLN 64 9.731 -23.577 -0.502 1323 1HE2 GLN 64 1HE2 GLN 64 11.337 -23.507 -3.737 1324 2HE2 GLN 64 2HE2 GLN 64 12.743 -24.304 -3.216 1325 H THR 65 H THR 65 7.044 -24.569 -3.868 1326 HA THR 65 HA THR 65 4.986 -26.533 -3.462 1327 HB THR 65 HB THR 65 3.551 -24.413 -2.408 1328 HG1 THR 65 HG1 THR 65 4.843 -23.191 -1.323 1329 1HG2 THR 65 1HG2 THR 65 4.174 -27.009 -1.721 1330 2HG2 THR 65 2HG2 THR 65 3.127 -25.935 -0.791 1331 3HG2 THR 65 3HG2 THR 65 4.833 -26.088 -0.369 1332 H GLN 66 H GLN 66 6.392 -24.572 -5.467 1333 HA GLN 66 HA GLN 66 3.920 -23.883 -6.931 1334 1HB GLN 66 2HB GLN 66 6.271 -22.063 -6.431 1335 2HB GLN 66 1HB GLN 66 4.917 -21.680 -7.479 1336 1HG GLN 66 2HG GLN 66 3.803 -20.882 -5.703 1337 2HG GLN 66 1HG GLN 66 3.781 -22.505 -5.025 1338 1HE2 GLN 66 1HE2 GLN 66 5.272 -22.981 -3.287 1339 2HE2 GLN 66 2HE2 GLN 66 6.246 -21.796 -2.575 1340 H GLU 67 H GLU 67 5.822 -22.488 -8.888 1341 HA GLU 67 HA GLU 67 6.849 -24.929 -10.245 1342 1HB GLU 67 2HB GLU 67 5.947 -22.166 -11.134 1343 2HB GLU 67 1HB GLU 67 6.813 -23.260 -12.213 1344 1HG GLU 67 2HG GLU 67 5.070 -24.853 -12.191 1345 2HG GLU 67 1HG GLU 67 4.331 -24.153 -10.749 1346 H ALA 68 H ALA 68 8.690 -23.352 -11.837 1347 HA ALA 68 HA ALA 68 10.577 -22.599 -9.647 1348 1HB ALA 68 1HB ALA 68 11.850 -24.095 -10.690 1349 2HB ALA 68 2HB ALA 68 12.035 -22.901 -11.971 1350 3HB ALA 68 3HB ALA 68 10.779 -24.134 -12.086 1351 H LEU 69 H LEU 69 11.351 -20.599 -9.514 1352 HA LEU 69 HA LEU 69 11.012 -18.735 -11.829 1353 1HB LEU 69 2HB LEU 69 10.381 -17.249 -9.533 1354 2HB LEU 69 1HB LEU 69 9.235 -17.831 -10.735 1355 HG LEU 69 HG LEU 69 10.117 -19.635 -8.493 1356 1HD1 LEU 69 1HD1 LEU 69 7.725 -17.817 -8.309 1357 2HD1 LEU 69 2HD1 LEU 69 9.283 -17.409 -7.590 1358 3HD1 LEU 69 3HD1 LEU 69 8.412 -18.844 -7.051 1359 1HD2 LEU 69 1HD2 LEU 69 7.370 -19.883 -9.147 1360 2HD2 LEU 69 2HD2 LEU 69 8.666 -21.002 -9.545 1361 3HD2 LEU 69 3HD2 LEU 69 8.232 -19.728 -10.677 1362 H GLU 70 H GLU 70 12.627 -17.134 -11.916 1363 HA GLU 70 HA GLU 70 14.809 -17.388 -9.872 1364 1HB GLU 70 2HB GLU 70 16.266 -16.680 -11.777 1365 2HB GLU 70 1HB GLU 70 15.386 -18.169 -12.119 1366 1HG GLU 70 2HG GLU 70 14.120 -17.201 -13.751 1367 2HG GLU 70 1HG GLU 70 13.977 -15.678 -12.876 1368 H ILE 71 H ILE 71 13.219 -15.692 -8.785 1369 HA ILE 71 HA ILE 71 12.945 -13.045 -9.796 1370 HB ILE 71 HB ILE 71 12.472 -12.538 -7.425 1371 1HG1 ILE 71 2HG1 ILE 71 12.883 -15.264 -6.448 1372 2HG1 ILE 71 1HG1 ILE 71 14.397 -14.488 -6.915 1373 1HG2 ILE 71 1HG2 ILE 71 11.370 -15.289 -7.810 1374 2HG2 ILE 71 2HG2 ILE 71 10.999 -14.065 -9.024 1375 3HG2 ILE 71 3HG2 ILE 71 10.540 -13.806 -7.341 1376 1HD1 ILE 71 1HD1 ILE 71 13.553 -14.132 -4.492 1377 2HD1 ILE 71 2HD1 ILE 71 12.373 -13.040 -5.214 1378 3HD1 ILE 71 3HD1 ILE 71 14.097 -12.714 -5.389 1379 H ALA 72 H ALA 72 14.064 -11.431 -7.762 1380 HA ALA 72 HA ALA 72 16.981 -11.706 -8.337 1381 1HB ALA 72 1HB ALA 72 15.702 -9.965 -9.608 1382 2HB ALA 72 2HB ALA 72 16.975 -9.285 -8.593 1383 3HB ALA 72 3HB ALA 72 15.293 -9.203 -8.071 1384 HA PRO 73 HA PRO 73 17.670 -11.397 -3.998 1385 1HB PRO 73 2HB PRO 73 20.140 -10.211 -4.020 1386 2HB PRO 73 1HB PRO 73 19.879 -11.910 -4.461 1387 1HG PRO 73 2HG PRO 73 20.251 -9.535 -6.219 1388 2HG PRO 73 1HG PRO 73 20.877 -11.182 -6.401 1389 1HD PRO 73 2HD PRO 73 18.722 -10.246 -7.784 1390 2HD PRO 73 1HD PRO 73 18.933 -11.954 -7.353 1391 H SER 74 H SER 74 16.542 -9.904 -2.805 1392 HA SER 74 HA SER 74 17.445 -7.211 -2.388 1393 1HB SER 74 2HB SER 74 15.343 -6.204 -3.547 1394 2HB SER 74 1HB SER 74 16.688 -6.695 -4.572 1395 HG SER 74 HG SER 74 14.455 -8.327 -3.921 1396 H VAL 75 H VAL 75 15.668 -5.951 -1.121 1397 HA VAL 75 HA VAL 75 14.717 -7.442 1.073 1398 HB VAL 75 HB VAL 75 14.995 -4.920 0.715 1399 1HG1 VAL 75 1HG1 VAL 75 12.372 -5.402 -0.691 1400 2HG1 VAL 75 2HG1 VAL 75 13.735 -4.410 -1.198 1401 3HG1 VAL 75 3HG1 VAL 75 12.685 -3.865 0.109 1402 1HG2 VAL 75 1HG2 VAL 75 13.510 -4.416 2.474 1403 2HG2 VAL 75 2HG2 VAL 75 13.834 -6.137 2.682 1404 3HG2 VAL 75 3HG2 VAL 75 12.325 -5.606 1.938 1405 H GLY 76 H GLY 76 12.173 -7.573 1.593 1406 1HA GLY 76 2HA GLY 76 10.892 -8.700 -0.876 1407 2HA GLY 76 1HA GLY 76 10.672 -9.403 0.724 1408 H VAL 77 H VAL 77 10.595 -6.010 -0.314 1409 HA VAL 77 HA VAL 77 8.752 -4.811 1.199 1410 HB VAL 77 HB VAL 77 9.713 -3.803 -0.801 1411 1HG1 VAL 77 1HG1 VAL 77 9.326 -4.523 -2.972 1412 2HG1 VAL 77 2HG1 VAL 77 7.756 -5.218 -2.573 1413 3HG1 VAL 77 3HG1 VAL 77 9.235 -6.059 -2.114 1414 1HG2 VAL 77 1HG2 VAL 77 7.537 -2.916 0.111 1415 2HG2 VAL 77 2HG2 VAL 77 6.697 -3.875 -1.106 1416 3HG2 VAL 77 3HG2 VAL 77 7.778 -2.575 -1.602 1417 H SER 78 H SER 78 7.289 -6.329 2.148 1418 HA SER 78 HA SER 78 5.523 -8.078 0.760 1419 1HB SER 78 2HB SER 78 5.295 -6.561 3.372 1420 2HB SER 78 1HB SER 78 4.165 -7.824 2.895 1421 HG SER 78 HG SER 78 5.963 -9.239 2.742 1422 H VAL 79 H VAL 79 3.204 -6.230 2.321 1423 HA VAL 79 HA VAL 79 2.843 -4.381 0.036 1424 HB VAL 79 HB VAL 79 0.687 -5.255 -0.559 1425 1HG1 VAL 79 1HG1 VAL 79 2.687 -6.482 -1.424 1426 2HG1 VAL 79 2HG1 VAL 79 1.247 -7.492 -1.309 1427 3HG1 VAL 79 3HG1 VAL 79 2.516 -7.623 -0.092 1428 1HG2 VAL 79 1HG2 VAL 79 -0.023 -7.423 0.766 1429 2HG2 VAL 79 2HG2 VAL 79 -0.366 -5.829 1.440 1430 3HG2 VAL 79 3HG2 VAL 79 1.016 -6.754 2.025 1431 H LYS 80 H LYS 80 0.375 -3.575 0.345 1432 HA LYS 80 HA LYS 80 0.340 -2.388 3.024 1433 1HB LYS 80 2HB LYS 80 -0.215 -1.365 0.297 1434 2HB LYS 80 1HB LYS 80 -0.929 -0.564 1.697 1435 1HG LYS 80 2HG LYS 80 1.883 -1.182 2.123 1436 2HG LYS 80 1HG LYS 80 1.647 -0.140 0.722 1437 1HD LYS 80 2HD LYS 80 -0.030 0.689 2.936 1438 2HD LYS 80 1HD LYS 80 1.653 0.647 3.419 1439 1HE LYS 80 2HE LYS 80 0.935 1.925 0.789 1440 2HE LYS 80 1HE LYS 80 0.701 2.836 2.292 1441 1HZ LYS 80 1HZ LYS 80 3.201 1.564 1.325 1442 2HZ LYS 80 2HZ LYS 80 3.006 2.163 2.901 1443 3HZ LYS 80 3HZ LYS 80 2.917 3.217 1.574 1444 HA PRO 81 HA PRO 81 -4.321 -2.682 1.744 1445 1HB PRO 81 2HB PRO 81 -4.847 -4.894 0.163 1446 2HB PRO 81 1HB PRO 81 -4.660 -3.231 -0.437 1447 1HG PRO 81 2HG PRO 81 -2.607 -5.405 -0.252 1448 2HG PRO 81 1HG PRO 81 -2.983 -4.333 -1.615 1449 1HD PRO 81 2HD PRO 81 -0.906 -3.771 -0.080 1450 2HD PRO 81 1HD PRO 81 -1.997 -2.444 -0.538 1451 H GLY 82 H GLY 82 -5.447 -3.463 3.366 1452 1HA GLY 82 2HA GLY 82 -4.822 -6.166 4.470 1453 2HA GLY 82 1HA GLY 82 -5.053 -4.762 5.528 1454 H GLU 83 H GLU 83 -7.086 -3.453 4.848 1455 HA GLU 83 HA GLU 83 -9.404 -5.333 4.771 1456 1HB GLU 83 2HB GLU 83 -9.190 -3.386 6.430 1457 2HB GLU 83 1HB GLU 83 -9.337 -2.303 5.042 1458 1HG GLU 83 2HG GLU 83 -11.510 -3.025 4.545 1459 2HG GLU 83 1HG GLU 83 -11.337 -4.496 5.503 1460 H SER 84 H SER 84 -7.910 -5.294 2.532 1461 HA SER 84 HA SER 84 -7.748 -4.317 0.306 1462 1HB SER 84 2HB SER 84 -10.313 -5.885 0.442 1463 2HB SER 84 1HB SER 84 -9.144 -5.854 -0.872 1464 HG SER 84 HG SER 84 -8.822 -6.936 1.733 1465 H LEU 85 H LEU 85 -8.773 -2.216 1.813 1466 HA LEU 85 HA LEU 85 -10.738 -0.735 1.823 1467 1HB LEU 85 2HB LEU 85 -9.109 -0.741 -0.659 1468 2HB LEU 85 1HB LEU 85 -10.701 -0.017 -0.842 1469 HG LEU 85 HG LEU 85 -10.225 1.391 1.181 1470 1HD1 LEU 85 1HD1 LEU 85 -7.321 0.776 0.847 1471 2HD1 LEU 85 2HD1 LEU 85 -8.299 -0.356 1.779 1472 3HD1 LEU 85 3HD1 LEU 85 -8.193 1.331 2.274 1473 1HD2 LEU 85 1HD2 LEU 85 -8.046 1.798 -0.858 1474 2HD2 LEU 85 2HD2 LEU 85 -9.032 3.002 -0.030 1475 3HD2 LEU 85 3HD2 LEU 85 -9.742 2.009 -1.299 1476 H LYS 86 H LYS 86 -11.007 -3.570 1.432 1477 HA LYS 86 HA LYS 86 -12.806 -4.562 -0.495 1478 1HB LYS 86 2HB LYS 86 -11.487 -5.254 1.898 1479 2HB LYS 86 1HB LYS 86 -13.186 -5.315 2.352 1480 1HG LYS 86 2HG LYS 86 -13.647 -7.068 0.882 1481 2HG LYS 86 1HG LYS 86 -12.286 -6.668 -0.173 1482 1HD LYS 86 2HD LYS 86 -10.704 -7.380 1.587 1483 2HD LYS 86 1HD LYS 86 -12.057 -7.781 2.643 1484 1HE LYS 86 2HE LYS 86 -11.820 -9.018 -0.111 1485 2HE LYS 86 1HE LYS 86 -11.019 -9.737 1.300 1486 1HZ LYS 86 1HZ LYS 86 -13.252 -10.622 1.062 1487 2HZ LYS 86 2HZ LYS 86 -13.905 -9.054 1.092 1488 3HZ LYS 86 3HZ LYS 86 -13.143 -9.686 2.473 1489 H LYS 87 H LYS 87 -12.941 -2.700 2.347 1490 HA LYS 87 HA LYS 87 -15.751 -2.327 2.677 1491 1HB LYS 87 2HB LYS 87 -13.735 -2.089 4.268 1492 2HB LYS 87 1HB LYS 87 -13.366 -0.590 3.414 1493 1HG LYS 87 2HG LYS 87 -14.664 0.116 5.276 1494 2HG LYS 87 1HG LYS 87 -15.814 0.091 3.939 1495 1HD LYS 87 2HD LYS 87 -16.732 -2.002 4.641 1496 2HD LYS 87 1HD LYS 87 -15.414 -2.274 5.780 1497 1HE LYS 87 2HE LYS 87 -17.069 -1.484 7.228 1498 2HE LYS 87 1HE LYS 87 -16.286 0.046 6.787 1499 1HZ LYS 87 1HZ LYS 87 -18.597 0.310 6.375 1500 2HZ LYS 87 2HZ LYS 87 -18.693 -1.170 5.546 1501 3HZ LYS 87 3HZ LYS 87 -17.850 0.138 4.862 1502 H ALA 88 H ALA 88 -13.083 -0.765 0.936 1503 HA ALA 88 HA ALA 88 -14.803 1.438 -0.025 1504 1HB ALA 88 1HB ALA 88 -12.307 0.860 -1.463 1505 2HB ALA 88 2HB ALA 88 -12.080 0.971 0.284 1506 3HB ALA 88 3HB ALA 88 -12.786 2.321 -0.603 1507 H ALA 89 H ALA 89 -13.788 -1.737 -0.952 1508 HA ALA 89 HA ALA 89 -14.452 -1.578 -3.746 1509 1HB ALA 89 1HB ALA 89 -13.700 -3.546 -1.699 1510 2HB ALA 89 2HB ALA 89 -13.195 -3.448 -3.379 1511 3HB ALA 89 3HB ALA 89 -14.725 -4.218 -2.964 1512 H GLU 90 H GLU 90 -16.270 -2.826 -0.927 1513 HA GLU 90 HA GLU 90 -18.690 -3.376 -2.349 1514 1HB GLU 90 2HB GLU 90 -19.723 -3.071 -0.079 1515 2HB GLU 90 1HB GLU 90 -18.282 -4.083 -0.024 1516 1HG GLU 90 2HG GLU 90 -16.954 -2.331 0.871 1517 2HG GLU 90 1HG GLU 90 -18.156 -1.107 0.464 1518 H GLY 91 H GLY 91 -17.119 -0.449 -1.234 1519 1HA GLY 91 2HA GLY 91 -19.319 1.368 -1.462 1520 2HA GLY 91 1HA GLY 91 -17.617 1.810 -1.579 1521 H LEU 92 H LEU 92 -16.966 0.164 -3.941 1522 HA LEU 92 HA LEU 92 -18.154 1.953 -5.981 1523 1HB LEU 92 2HB LEU 92 -16.402 1.163 -7.352 1524 2HB LEU 92 1HB LEU 92 -15.704 1.094 -5.747 1525 HG LEU 92 HG LEU 92 -16.905 -1.380 -5.955 1526 1HD1 LEU 92 1HD1 LEU 92 -16.953 -2.114 -8.098 1527 2HD1 LEU 92 2HD1 LEU 92 -15.386 -1.392 -8.462 1528 3HD1 LEU 92 3HD1 LEU 92 -16.851 -0.417 -8.563 1529 1HD2 LEU 92 1HD2 LEU 92 -14.751 -2.137 -5.675 1530 2HD2 LEU 92 2HD2 LEU 92 -14.465 -0.426 -5.359 1531 3HD2 LEU 92 3HD2 LEU 92 -14.110 -1.099 -6.950 1532 H LYS 93 H LYS 93 -19.756 -0.292 -4.586 1533 HA LYS 93 HA LYS 93 -21.381 -1.883 -5.259 1534 1HB LYS 93 2HB LYS 93 -20.859 -0.651 -7.997 1535 2HB LYS 93 1HB LYS 93 -22.310 -1.515 -7.494 1536 1HG LYS 93 2HG LYS 93 -23.170 0.478 -6.892 1537 2HG LYS 93 1HG LYS 93 -22.003 0.493 -5.570 1538 1HD LYS 93 2HD LYS 93 -20.466 1.808 -6.777 1539 2HD LYS 93 1HD LYS 93 -21.219 1.427 -8.327 1540 1HE LYS 93 2HE LYS 93 -23.324 2.603 -7.086 1541 2HE LYS 93 1HE LYS 93 -21.985 3.476 -6.314 1542 1HZ LYS 93 1HZ LYS 93 -22.494 4.579 -8.357 1543 2HZ LYS 93 2HZ LYS 93 -22.449 3.120 -9.227 1544 3HZ LYS 93 3HZ LYS 93 -21.021 3.764 -8.569 1545 H TYR 94 H TYR 94 -18.819 -2.745 -4.926 1546 HA TYR 94 HA TYR 94 -17.336 -3.900 -6.924 1547 1HB TYR 94 2HB TYR 94 -16.305 -4.823 -5.145 1548 2HB TYR 94 1HB TYR 94 -17.487 -3.961 -4.187 1549 HD1 TYR 94 HD1 TYR 94 -17.899 -7.079 -6.263 1550 HD2 TYR 94 HD2 TYR 94 -17.896 -5.308 -2.346 1551 HE1 TYR 94 HE1 TYR 94 -18.672 -9.239 -5.302 1552 HE2 TYR 94 HE2 TYR 94 -18.658 -7.483 -1.385 1553 HH TYR 94 HH TYR 94 -19.978 -9.935 -3.221 1554 H GLU 95 H GLU 95 -20.423 -5.109 -5.660 1555 HA GLU 95 HA GLU 95 -20.537 -7.623 -6.953 1556 1HB GLU 95 2HB GLU 95 -22.993 -7.258 -6.830 1557 2HB GLU 95 1HB GLU 95 -22.191 -6.768 -5.339 1558 1HG GLU 95 2HG GLU 95 -22.101 -4.407 -6.385 1559 2HG GLU 95 1HG GLU 95 -23.289 -5.016 -7.538 1560 H ASP 96 H ASP 96 -21.216 -4.372 -8.188 1561 HA ASP 96 HA ASP 96 -22.119 -5.163 -10.808 1562 1HB ASP 96 2HB ASP 96 -21.501 -2.772 -9.292 1563 2HB ASP 96 1HB ASP 96 -20.817 -2.642 -10.912 1564 H PHE 97 H PHE 97 -18.972 -4.738 -9.296 1565 HA PHE 97 HA PHE 97 -17.584 -5.076 -11.914 1566 1HB PHE 97 2HB PHE 97 -17.134 -3.533 -9.670 1567 2HB PHE 97 1HB PHE 97 -16.043 -4.893 -9.403 1568 HD1 PHE 97 HD1 PHE 97 -14.445 -5.558 -11.276 1569 HD2 PHE 97 HD2 PHE 97 -16.616 -1.852 -11.252 1570 HE1 PHE 97 HE1 PHE 97 -12.860 -4.621 -12.938 1571 HE2 PHE 97 HE2 PHE 97 -15.031 -0.914 -12.914 1572 HZ PHE 97 HZ PHE 97 -13.153 -2.298 -13.757 1573 H ALA 98 H ALA 98 -18.992 -7.024 -9.662 1574 HA ALA 98 HA ALA 98 -16.842 -9.052 -9.499 1575 1HB ALA 98 1HB ALA 98 -18.846 -8.128 -7.835 1576 2HB ALA 98 2HB ALA 98 -17.973 -9.640 -7.613 1577 3HB ALA 98 3HB ALA 98 -19.525 -9.635 -8.444 1578 H LYS 99 H LYS 99 -20.001 -8.517 -10.996 1579 HA LYS 99 HA LYS 99 -20.420 -11.190 -11.974 1580 1HB LYS 99 2HB LYS 99 -21.382 -8.420 -12.698 1581 2HB LYS 99 1HB LYS 99 -21.914 -9.832 -13.613 1582 1HG LYS 99 2HG LYS 99 -22.853 -10.850 -11.637 1583 2HG LYS 99 1HG LYS 99 -22.142 -9.612 -10.600 1584 1HD LYS 99 2HD LYS 99 -23.526 -8.008 -12.248 1585 2HD LYS 99 1HD LYS 99 -24.529 -9.454 -12.379 1586 1HE LYS 99 2HE LYS 99 -25.285 -9.270 -10.225 1587 2HE LYS 99 1HE LYS 99 -23.704 -8.737 -9.618 1588 1HZ LYS 99 1HZ LYS 99 -24.035 -6.585 -10.520 1589 2HZ LYS 99 2HZ LYS 99 -25.452 -6.965 -9.661 1590 3HZ LYS 99 3HZ LYS 99 -25.431 -7.065 -11.357 Start of MODEL 16 1 1H MET 1 1H MET 1 5.399 3.441 10.986 2 2H MET 1 2H MET 1 6.757 4.359 10.539 3 3H MET 1 3H MET 1 5.933 3.434 9.376 4 HA MET 1 HA MET 1 4.984 5.898 10.734 5 1HB MET 1 2HB MET 1 6.151 5.066 8.167 6 2HB MET 1 1HB MET 1 4.694 6.043 7.987 7 1HG MET 1 2HG MET 1 5.634 7.887 9.070 8 2HG MET 1 1HG MET 1 6.826 6.904 9.921 9 1HE MET 1 1HE MET 1 6.868 7.432 5.361 10 2HE MET 1 2HE MET 1 5.704 8.272 6.381 11 3HE MET 1 3HE MET 1 5.710 6.513 6.331 12 H ASN 2 H ASN 2 2.856 6.544 9.301 13 HA ASN 2 HA ASN 2 1.141 4.439 8.414 14 1HB ASN 2 2HB ASN 2 -0.353 4.389 10.441 15 2HB ASN 2 1HB ASN 2 1.247 3.715 10.732 16 1HD2 ASN 2 1HD2 ASN 2 1.223 4.261 13.020 17 2HD2 ASN 2 2HD2 ASN 2 1.328 5.869 13.554 18 H LYS 3 H LYS 3 -1.347 5.329 9.034 19 HA LYS 3 HA LYS 3 -1.844 7.500 7.326 20 1HB LYS 3 2HB LYS 3 -3.290 5.738 8.852 21 2HB LYS 3 1HB LYS 3 -3.620 7.259 9.680 22 1HG LYS 3 2HG LYS 3 -4.007 8.144 7.211 23 2HG LYS 3 1HG LYS 3 -4.306 6.441 6.877 24 1HD LYS 3 2HD LYS 3 -5.958 6.425 8.778 25 2HD LYS 3 1HD LYS 3 -5.745 8.166 8.915 26 1HE LYS 3 2HE LYS 3 -6.361 8.216 6.368 27 2HE LYS 3 1HE LYS 3 -7.023 6.596 6.670 28 1HZ LYS 3 1HZ LYS 3 -8.162 7.582 8.646 29 2HZ LYS 3 2HZ LYS 3 -8.740 8.137 7.147 30 3HZ LYS 3 3HZ LYS 3 -7.711 9.115 8.080 31 H THR 4 H THR 4 -0.491 7.566 10.515 32 HA THR 4 HA THR 4 -1.091 10.478 10.812 33 HB THR 4 HB THR 4 -0.080 8.328 12.694 34 HG1 THR 4 HG1 THR 4 -2.085 8.293 13.385 35 1HG2 THR 4 1HG2 THR 4 -0.212 11.299 12.946 36 2HG2 THR 4 2HG2 THR 4 0.938 10.162 13.650 37 3HG2 THR 4 3HG2 THR 4 -0.671 10.338 14.352 38 H GLU 5 H GLU 5 1.666 8.267 11.391 39 HA GLU 5 HA GLU 5 3.688 10.228 11.486 40 1HB GLU 5 2HB GLU 5 3.782 7.393 10.423 41 2HB GLU 5 1HB GLU 5 5.182 8.326 10.941 42 1HG GLU 5 2HG GLU 5 2.958 8.162 12.896 43 2HG GLU 5 1HG GLU 5 3.817 6.653 12.587 44 H LEU 6 H LEU 6 2.453 8.418 8.656 45 HA LEU 6 HA LEU 6 4.164 9.472 6.675 46 1HB LEU 6 2HB LEU 6 1.229 8.722 6.681 47 2HB LEU 6 1HB LEU 6 2.097 9.115 5.196 48 HG LEU 6 HG LEU 6 3.322 7.116 7.052 49 1HD1 LEU 6 1HD1 LEU 6 1.757 5.511 6.753 50 2HD1 LEU 6 2HD1 LEU 6 1.589 5.892 5.039 51 3HD1 LEU 6 3HD1 LEU 6 0.673 6.804 6.240 52 1HD2 LEU 6 1HD2 LEU 6 4.254 6.267 5.018 53 2HD2 LEU 6 2HD2 LEU 6 4.348 8.023 4.893 54 3HD2 LEU 6 3HD2 LEU 6 3.083 7.145 4.035 55 H ILE 7 H ILE 7 1.118 10.939 7.915 56 HA ILE 7 HA ILE 7 1.169 13.252 6.237 57 HB ILE 7 HB ILE 7 -0.543 13.997 7.540 58 1HG1 ILE 7 2HG1 ILE 7 0.724 12.977 10.085 59 2HG1 ILE 7 1HG1 ILE 7 1.084 14.567 9.415 60 1HG2 ILE 7 1HG2 ILE 7 -1.824 12.235 8.255 61 2HG2 ILE 7 2HG2 ILE 7 -0.481 11.420 9.045 62 3HG2 ILE 7 3HG2 ILE 7 -0.635 11.375 7.288 63 1HD1 ILE 7 1HD1 ILE 7 -1.049 13.949 11.070 64 2HD1 ILE 7 2HD1 ILE 7 -1.769 14.022 9.464 65 3HD1 ILE 7 3HD1 ILE 7 -0.877 15.406 10.094 66 H LYS 8 H LYS 8 2.610 12.593 9.387 67 HA LYS 8 HA LYS 8 4.013 15.021 9.810 68 1HB LYS 8 2HB LYS 8 3.801 12.386 10.873 69 2HB LYS 8 1HB LYS 8 5.515 12.675 10.588 70 1HG LYS 8 2HG LYS 8 5.465 14.683 11.927 71 2HG LYS 8 1HG LYS 8 3.710 14.591 12.078 72 1HD LYS 8 2HD LYS 8 5.227 13.693 14.034 73 2HD LYS 8 1HD LYS 8 3.794 12.786 13.556 74 1HE LYS 8 2HE LYS 8 5.039 11.103 12.512 75 2HE LYS 8 1HE LYS 8 6.421 12.174 12.213 76 1HZ LYS 8 1HZ LYS 8 6.801 12.295 14.601 77 2HZ LYS 8 2HZ LYS 8 6.869 10.682 14.072 78 3HZ LYS 8 3HZ LYS 8 5.492 11.256 14.885 79 H ALA 9 H ALA 9 4.809 12.072 7.976 80 HA ALA 9 HA ALA 9 7.474 12.650 7.227 81 1HB ALA 9 1HB ALA 9 7.109 10.924 5.711 82 2HB ALA 9 2HB ALA 9 5.505 11.516 5.279 83 3HB ALA 9 3HB ALA 9 5.750 10.665 6.805 84 H ILE 10 H ILE 10 4.376 13.818 5.943 85 HA ILE 10 HA ILE 10 5.716 15.397 3.852 86 HB ILE 10 HB ILE 10 2.966 14.552 4.698 87 1HG1 ILE 10 2HG1 ILE 10 2.700 14.267 2.240 88 2HG1 ILE 10 1HG1 ILE 10 4.323 14.918 2.016 89 1HG2 ILE 10 1HG2 ILE 10 3.553 17.198 3.395 90 2HG2 ILE 10 2HG2 ILE 10 2.399 16.822 4.672 91 3HG2 ILE 10 3HG2 ILE 10 2.069 16.329 3.012 92 1HD1 ILE 10 1HD1 ILE 10 3.730 12.249 2.379 93 2HD1 ILE 10 2HD1 ILE 10 4.198 12.755 4.001 94 3HD1 ILE 10 3HD1 ILE 10 5.312 12.978 2.652 95 H ALA 11 H ALA 11 4.194 15.649 6.995 96 HA ALA 11 HA ALA 11 4.082 18.526 7.067 97 1HB ALA 11 1HB ALA 11 3.144 16.424 8.532 98 2HB ALA 11 2HB ALA 11 3.216 18.066 9.170 99 3HB ALA 11 3HB ALA 11 4.498 16.915 9.547 100 H GLN 12 H GLN 12 6.689 16.314 7.093 101 HA GLN 12 HA GLN 12 8.458 18.401 8.271 102 1HB GLN 12 2HB GLN 12 9.603 16.729 9.430 103 2HB GLN 12 1HB GLN 12 7.987 16.033 9.395 104 1HG GLN 12 2HG GLN 12 9.248 14.233 8.655 105 2HG GLN 12 1HG GLN 12 8.827 14.981 7.118 106 1HE2 GLN 12 1HE2 GLN 12 11.376 15.455 9.645 107 2HE2 GLN 12 2HE2 GLN 12 12.650 15.604 8.534 108 H ASP 13 H ASP 13 8.064 15.987 5.669 109 HA ASP 13 HA ASP 13 10.632 16.678 4.400 110 1HB ASP 13 2HB ASP 13 8.089 15.238 3.571 111 2HB ASP 13 1HB ASP 13 9.416 15.503 2.443 112 H THR 14 H THR 14 7.269 17.493 4.271 113 HA THR 14 HA THR 14 7.589 19.586 2.215 114 HB THR 14 HB THR 14 5.012 19.252 3.582 115 HG1 THR 14 HG1 THR 14 6.227 16.978 2.398 116 1HG2 THR 14 1HG2 THR 14 5.998 19.671 0.984 117 2HG2 THR 14 2HG2 THR 14 4.309 19.562 1.487 118 3HG2 THR 14 3HG2 THR 14 5.164 18.122 0.947 119 H GLY 15 H GLY 15 5.883 19.453 5.349 120 1HA GLY 15 2HA GLY 15 5.757 20.996 7.114 121 2HA GLY 15 1HA GLY 15 7.479 21.227 6.830 122 H LEU 16 H LEU 16 5.318 21.978 4.262 123 HA LEU 16 HA LEU 16 6.163 24.729 4.062 124 1HB LEU 16 2HB LEU 16 3.692 23.314 3.006 125 2HB LEU 16 1HB LEU 16 4.289 24.870 2.435 126 HG LEU 16 HG LEU 16 6.529 23.430 2.177 127 1HD1 LEU 16 1HD1 LEU 16 4.630 21.487 2.825 128 2HD1 LEU 16 2HD1 LEU 16 6.219 21.208 2.119 129 3HD1 LEU 16 3HD1 LEU 16 4.813 21.366 1.083 130 1HD2 LEU 16 1HD2 LEU 16 4.233 23.388 0.188 131 2HD2 LEU 16 2HD2 LEU 16 5.939 23.219 -0.207 132 3HD2 LEU 16 3HD2 LEU 16 5.324 24.751 0.412 133 H THR 17 H THR 17 2.977 23.426 4.764 134 HA THR 17 HA THR 17 2.542 25.532 6.808 135 HB THR 17 HB THR 17 1.638 25.634 4.211 136 HG1 THR 17 HG1 THR 17 0.247 27.206 5.010 137 1HG2 THR 17 1HG2 THR 17 0.202 23.718 4.411 138 2HG2 THR 17 2HG2 THR 17 -0.812 25.156 4.360 139 3HG2 THR 17 3HG2 THR 17 -0.524 24.343 5.890 140 H GLN 18 H GLN 18 2.739 22.320 6.193 141 HA GLN 18 HA GLN 18 1.795 20.394 7.179 142 1HB GLN 18 2HB GLN 18 0.550 22.335 9.155 143 2HB GLN 18 1HB GLN 18 1.085 20.682 9.453 144 1HG GLN 18 2HG GLN 18 3.418 21.756 8.624 145 2HG GLN 18 1HG GLN 18 2.672 23.191 9.326 146 1HE2 GLN 18 1HE2 GLN 18 1.916 22.975 11.648 147 2HE2 GLN 18 2HE2 GLN 18 2.726 21.891 12.673 148 H VAL 19 H VAL 19 0.498 22.187 5.204 149 HA VAL 19 HA VAL 19 -1.841 22.984 4.801 150 HB VAL 19 HB VAL 19 -0.943 21.891 2.934 151 1HG1 VAL 19 1HG1 VAL 19 0.419 20.166 3.625 152 2HG1 VAL 19 2HG1 VAL 19 -0.924 19.243 2.958 153 3HG1 VAL 19 3HG1 VAL 19 -0.801 19.485 4.701 154 1HG2 VAL 19 1HG2 VAL 19 -3.608 21.199 3.628 155 2HG2 VAL 19 2HG2 VAL 19 -2.892 19.791 2.855 156 3HG2 VAL 19 3HG2 VAL 19 -2.916 21.341 2.017 157 H SER 20 H SER 20 -2.588 19.640 4.939 158 HA SER 20 HA SER 20 -4.333 20.031 7.273 159 1HB SER 20 2HB SER 20 -4.994 19.738 4.504 160 2HB SER 20 1HB SER 20 -5.534 18.303 5.354 161 HG SER 20 HG SER 20 -6.971 20.250 5.274 162 H VAL 21 H VAL 21 -1.636 18.743 6.673 163 HA VAL 21 HA VAL 21 -1.174 16.200 6.303 164 HB VAL 21 HB VAL 21 0.013 16.108 8.503 165 1HG1 VAL 21 1HG1 VAL 21 0.801 17.419 6.441 166 2HG1 VAL 21 2HG1 VAL 21 1.529 17.860 7.986 167 3HG1 VAL 21 3HG1 VAL 21 0.252 18.860 7.295 168 1HG2 VAL 21 1HG2 VAL 21 -1.538 18.669 8.968 169 2HG2 VAL 21 2HG2 VAL 21 -0.161 18.159 9.944 170 3HG2 VAL 21 3HG2 VAL 21 -1.633 17.191 9.924 171 H SER 22 H SER 22 -3.294 17.342 8.797 172 HA SER 22 HA SER 22 -4.116 14.659 9.715 173 1HB SER 22 2HB SER 22 -4.447 17.457 10.438 174 2HB SER 22 1HB SER 22 -5.987 16.607 10.509 175 HG SER 22 HG SER 22 -3.725 16.346 12.059 176 H LYS 23 H LYS 23 -5.441 17.240 7.662 177 HA LYS 23 HA LYS 23 -7.844 15.700 7.033 178 1HB LYS 23 2HB LYS 23 -6.963 18.389 7.029 179 2HB LYS 23 1HB LYS 23 -7.410 17.994 5.370 180 1HG LYS 23 2HG LYS 23 -9.331 16.923 7.271 181 2HG LYS 23 1HG LYS 23 -9.151 18.668 7.450 182 1HD LYS 23 2HD LYS 23 -9.740 17.205 4.857 183 2HD LYS 23 1HD LYS 23 -10.897 18.152 5.792 184 1HE LYS 23 2HE LYS 23 -8.944 20.009 5.512 185 2HE LYS 23 1HE LYS 23 -8.698 19.085 4.017 186 1HZ LYS 23 1HZ LYS 23 -11.245 20.262 4.993 187 2HZ LYS 23 2HZ LYS 23 -11.142 19.186 3.682 188 3HZ LYS 23 3HZ LYS 23 -10.385 20.705 3.600 189 H MET 24 H MET 24 -4.792 16.606 5.267 190 HA MET 24 HA MET 24 -5.779 15.473 2.803 191 1HB MET 24 2HB MET 24 -2.979 15.169 2.800 192 2HB MET 24 1HB MET 24 -3.900 16.476 2.082 193 1HG MET 24 2HG MET 24 -3.389 17.948 3.769 194 2HG MET 24 1HG MET 24 -3.348 16.681 4.994 195 1HE MET 24 1HE MET 24 -2.053 14.900 4.995 196 2HE MET 24 2HE MET 24 -0.295 14.931 4.900 197 3HE MET 24 3HE MET 24 -1.239 14.478 3.482 198 H LEU 25 H LEU 25 -4.364 14.104 5.733 199 HA LEU 25 HA LEU 25 -3.810 11.509 4.504 200 1HB LEU 25 2HB LEU 25 -2.987 11.005 6.575 201 2HB LEU 25 1HB LEU 25 -3.029 12.751 6.753 202 HG LEU 25 HG LEU 25 -5.447 12.359 7.663 203 1HD1 LEU 25 1HD1 LEU 25 -4.465 9.752 8.659 204 2HD1 LEU 25 2HD1 LEU 25 -4.939 9.779 6.961 205 3HD1 LEU 25 3HD1 LEU 25 -6.098 10.241 8.208 206 1HD2 LEU 25 1HD2 LEU 25 -3.382 13.053 8.973 207 2HD2 LEU 25 2HD2 LEU 25 -3.182 11.352 9.383 208 3HD2 LEU 25 3HD2 LEU 25 -4.627 12.217 9.897 209 H ALA 26 H ALA 26 -6.458 12.876 6.492 210 HA ALA 26 HA ALA 26 -8.081 10.498 6.528 211 1HB ALA 26 1HB ALA 26 -9.317 13.218 6.453 212 2HB ALA 26 2HB ALA 26 -8.133 12.927 7.728 213 3HB ALA 26 3HB ALA 26 -9.568 11.911 7.609 214 H SER 27 H SER 27 -7.405 12.991 4.213 215 HA SER 27 HA SER 27 -9.660 12.303 2.445 216 1HB SER 27 2HB SER 27 -8.889 14.153 1.196 217 2HB SER 27 1HB SER 27 -8.492 14.597 2.852 218 HG SER 27 HG SER 27 -6.817 14.703 1.045 219 H PHE 28 H PHE 28 -6.145 11.906 2.620 220 HA PHE 28 HA PHE 28 -5.691 10.607 0.136 221 1HB PHE 28 2HB PHE 28 -3.709 11.111 1.164 222 2HB PHE 28 1HB PHE 28 -4.399 10.932 2.771 223 HD1 PHE 28 HD1 PHE 28 -2.521 9.298 0.102 224 HD2 PHE 28 HD2 PHE 28 -4.653 8.629 3.772 225 HE1 PHE 28 HE1 PHE 28 -1.381 7.141 0.382 226 HE2 PHE 28 HE2 PHE 28 -3.525 6.476 4.036 227 HZ PHE 28 HZ PHE 28 -1.890 5.713 2.335 228 H GLU 29 H GLU 29 -6.467 9.193 3.338 229 HA GLU 29 HA GLU 29 -6.625 6.506 2.290 230 1HB GLU 29 2HB GLU 29 -6.326 7.242 4.701 231 2HB GLU 29 1HB GLU 29 -8.036 7.694 4.693 232 1HG GLU 29 2HG GLU 29 -7.802 5.105 3.528 233 2HG GLU 29 1HG GLU 29 -6.896 5.108 5.040 234 H LYS 30 H LYS 30 -8.812 9.209 2.739 235 HA LYS 30 HA LYS 30 -11.250 7.854 2.064 236 1HB LYS 30 2HB LYS 30 -11.183 10.045 3.169 237 2HB LYS 30 1HB LYS 30 -10.358 10.743 1.777 238 1HG LYS 30 2HG LYS 30 -12.296 10.278 0.355 239 2HG LYS 30 1HG LYS 30 -13.123 9.505 1.707 240 1HD LYS 30 2HD LYS 30 -12.155 12.204 2.343 241 2HD LYS 30 1HD LYS 30 -13.331 12.181 1.029 242 1HE LYS 30 2HE LYS 30 -14.781 10.693 2.533 243 2HE LYS 30 1HE LYS 30 -13.685 11.146 3.853 244 1HZ LYS 30 1HZ LYS 30 -14.030 13.505 3.128 245 2HZ LYS 30 2HZ LYS 30 -15.395 12.766 3.817 246 3HZ LYS 30 3HZ LYS 30 -15.288 12.955 2.132 247 H ILE 31 H ILE 31 -8.511 8.979 0.183 248 HA ILE 31 HA ILE 31 -10.126 8.536 -2.281 249 HB ILE 31 HB ILE 31 -8.022 9.570 -3.323 250 1HG1 ILE 31 2HG1 ILE 31 -7.529 11.307 -1.135 251 2HG1 ILE 31 1HG1 ILE 31 -7.239 9.647 -0.633 252 1HG2 ILE 31 1HG2 ILE 31 -9.549 11.511 -1.656 253 2HG2 ILE 31 2HG2 ILE 31 -10.438 10.493 -2.789 254 3HG2 ILE 31 3HG2 ILE 31 -9.176 11.576 -3.379 255 1HD1 ILE 31 1HD1 ILE 31 -5.503 9.355 -2.063 256 2HD1 ILE 31 2HD1 ILE 31 -5.418 11.115 -1.986 257 3HD1 ILE 31 3HD1 ILE 31 -6.256 10.330 -3.324 258 H ILE 32 H ILE 32 -7.424 7.421 -0.442 259 HA ILE 32 HA ILE 32 -6.405 5.567 -2.443 260 HB ILE 32 HB ILE 32 -6.212 5.574 0.595 261 1HG1 ILE 32 2HG1 ILE 32 -5.231 7.477 -1.183 262 2HG1 ILE 32 1HG1 ILE 32 -4.591 7.163 0.428 263 1HG2 ILE 32 1HG2 ILE 32 -5.611 3.410 -0.199 264 2HG2 ILE 32 2HG2 ILE 32 -4.085 4.257 0.050 265 3HG2 ILE 32 3HG2 ILE 32 -4.734 4.070 -1.579 266 1HD1 ILE 32 1HD1 ILE 32 -2.938 5.646 -0.446 267 2HD1 ILE 32 2HD1 ILE 32 -2.857 7.130 -1.397 268 3HD1 ILE 32 3HD1 ILE 32 -3.662 5.704 -2.053 269 H THR 33 H THR 33 -8.124 5.077 0.608 270 HA THR 33 HA THR 33 -8.936 2.429 -0.062 271 HB THR 33 HB THR 33 -9.036 4.304 2.118 272 HG1 THR 33 HG1 THR 33 -8.267 2.474 2.756 273 1HG2 THR 33 1HG2 THR 33 -11.616 2.854 1.525 274 2HG2 THR 33 2HG2 THR 33 -11.388 4.595 1.695 275 3HG2 THR 33 3HG2 THR 33 -11.205 3.540 3.097 276 H GLU 34 H GLU 34 -10.420 5.657 -0.438 277 HA GLU 34 HA GLU 34 -12.974 4.569 -1.315 278 1HB GLU 34 2HB GLU 34 -11.626 7.257 -1.342 279 2HB GLU 34 1HB GLU 34 -13.274 7.026 -1.911 280 1HG GLU 34 2HG GLU 34 -12.379 6.078 0.830 281 2HG GLU 34 1HG GLU 34 -13.032 7.696 0.574 282 H THR 35 H THR 35 -9.966 5.647 -3.011 283 HA THR 35 HA THR 35 -11.139 5.795 -5.636 284 HB THR 35 HB THR 35 -8.373 5.116 -4.610 285 HG1 THR 35 HG1 THR 35 -9.347 7.184 -6.290 286 1HG2 THR 35 1HG2 THR 35 -9.540 4.507 -7.238 287 2HG2 THR 35 2HG2 THR 35 -8.030 3.946 -6.528 288 3HG2 THR 35 3HG2 THR 35 -8.093 5.508 -7.343 289 H VAL 36 H VAL 36 -9.538 3.081 -3.922 290 HA VAL 36 HA VAL 36 -10.088 1.104 -5.903 291 HB VAL 36 HB VAL 36 -9.029 1.224 -3.329 292 1HG1 VAL 36 1HG1 VAL 36 -11.273 0.933 -2.340 293 2HG1 VAL 36 2HG1 VAL 36 -10.260 -0.471 -2.020 294 3HG1 VAL 36 3HG1 VAL 36 -11.495 -0.547 -3.273 295 1HG2 VAL 36 1HG2 VAL 36 -8.028 -0.668 -4.054 296 2HG2 VAL 36 2HG2 VAL 36 -8.993 -0.487 -5.517 297 3HG2 VAL 36 3HG2 VAL 36 -9.565 -1.517 -4.206 298 H ALA 37 H ALA 37 -12.084 2.550 -3.371 299 HA ALA 37 HA ALA 37 -14.438 0.897 -3.946 300 1HB ALA 37 1HB ALA 37 -14.049 3.459 -2.390 301 2HB ALA 37 2HB ALA 37 -13.894 1.834 -1.737 302 3HB ALA 37 3HB ALA 37 -15.461 2.411 -2.303 303 H LYS 38 H LYS 38 -12.932 3.525 -5.443 304 HA LYS 38 HA LYS 38 -15.474 4.576 -6.595 305 1HB LYS 38 2HB LYS 38 -13.091 5.764 -5.704 306 2HB LYS 38 1HB LYS 38 -12.953 5.790 -7.460 307 1HG LYS 38 2HG LYS 38 -14.244 7.646 -7.388 308 2HG LYS 38 1HG LYS 38 -15.585 6.559 -7.021 309 1HD LYS 38 2HD LYS 38 -13.772 7.820 -4.941 310 2HD LYS 38 1HD LYS 38 -15.378 8.414 -5.364 311 1HE LYS 38 2HE LYS 38 -15.022 5.531 -4.556 312 2HE LYS 38 1HE LYS 38 -15.161 6.795 -3.319 313 1HZ LYS 38 1HZ LYS 38 -17.150 7.613 -4.502 314 2HZ LYS 38 2HZ LYS 38 -17.353 6.040 -3.892 315 3HZ LYS 38 3HZ LYS 38 -17.057 6.280 -5.548 316 H GLY 39 H GLY 39 -13.061 2.342 -7.030 317 1HA GLY 39 2HA GLY 39 -12.790 0.824 -8.753 318 2HA GLY 39 1HA GLY 39 -13.961 1.738 -9.700 319 H ASP 40 H ASP 40 -10.847 2.715 -8.233 320 HA ASP 40 HA ASP 40 -9.917 3.359 -11.021 321 1HB ASP 40 2HB ASP 40 -10.525 5.097 -8.806 322 2HB ASP 40 1HB ASP 40 -8.804 5.211 -9.175 323 H LYS 41 H LYS 41 -8.105 2.202 -11.421 324 HA LYS 41 HA LYS 41 -6.551 0.933 -9.308 325 1HB LYS 41 2HB LYS 41 -6.124 1.270 -12.298 326 2HB LYS 41 1HB LYS 41 -5.216 0.161 -11.268 327 1HG LYS 41 2HG LYS 41 -7.056 -1.233 -10.917 328 2HG LYS 41 1HG LYS 41 -8.218 0.042 -11.289 329 1HD LYS 41 2HD LYS 41 -7.967 -0.205 -13.583 330 2HD LYS 41 1HD LYS 41 -6.332 -0.852 -13.438 331 1HE LYS 41 2HE LYS 41 -8.625 -2.430 -12.298 332 2HE LYS 41 1HE LYS 41 -8.300 -2.495 -14.041 333 1HZ LYS 41 1HZ LYS 41 -5.925 -2.889 -13.451 334 2HZ LYS 41 2HZ LYS 41 -6.966 -4.158 -13.016 335 3HZ LYS 41 3HZ LYS 41 -6.400 -3.076 -11.834 336 H VAL 42 H VAL 42 -5.925 2.941 -8.143 337 HA VAL 42 HA VAL 42 -4.387 5.039 -9.334 338 HB VAL 42 HB VAL 42 -5.492 5.254 -7.175 339 1HG1 VAL 42 1HG1 VAL 42 -5.472 3.099 -6.239 340 2HG1 VAL 42 2HG1 VAL 42 -4.346 3.987 -5.214 341 3HG1 VAL 42 3HG1 VAL 42 -3.734 2.914 -6.472 342 1HG2 VAL 42 1HG2 VAL 42 -2.997 6.186 -7.707 343 2HG2 VAL 42 2HG2 VAL 42 -2.674 5.265 -6.239 344 3HG2 VAL 42 3HG2 VAL 42 -3.872 6.560 -6.222 345 H GLN 43 H GLN 43 -2.151 5.310 -9.538 346 HA GLN 43 HA GLN 43 -0.449 2.911 -8.943 347 1HB GLN 43 2HB GLN 43 0.013 4.756 -11.280 348 2HB GLN 43 1HB GLN 43 0.485 3.068 -11.096 349 1HG GLN 43 2HG GLN 43 -2.188 2.778 -10.948 350 2HG GLN 43 1HG GLN 43 -2.119 4.229 -11.949 351 1HE2 GLN 43 1HE2 GLN 43 -2.700 1.214 -12.557 352 2HE2 GLN 43 2HE2 GLN 43 -1.713 0.896 -13.900 353 H LEU 44 H LEU 44 0.570 3.797 -7.090 354 HA LEU 44 HA LEU 44 1.422 6.506 -6.792 355 1HB LEU 44 2HB LEU 44 1.923 3.842 -5.576 356 2HB LEU 44 1HB LEU 44 3.131 5.081 -5.240 357 HG LEU 44 HG LEU 44 0.159 5.519 -4.880 358 1HD1 LEU 44 1HD1 LEU 44 0.893 5.388 -2.378 359 2HD1 LEU 44 2HD1 LEU 44 2.262 4.466 -2.992 360 3HD1 LEU 44 3HD1 LEU 44 0.619 3.883 -3.250 361 1HD2 LEU 44 1HD2 LEU 44 1.212 7.324 -3.322 362 2HD2 LEU 44 2HD2 LEU 44 1.230 7.604 -5.063 363 3HD2 LEU 44 3HD2 LEU 44 2.685 7.032 -4.247 364 H THR 45 H THR 45 2.741 7.420 -8.343 365 HA THR 45 HA THR 45 4.423 7.512 -10.038 366 HB THR 45 HB THR 45 5.623 8.503 -8.327 367 HG1 THR 45 HG1 THR 45 7.180 7.557 -9.561 368 1HG2 THR 45 1HG2 THR 45 5.388 5.872 -6.853 369 2HG2 THR 45 2HG2 THR 45 4.653 7.414 -6.425 370 3HG2 THR 45 3HG2 THR 45 6.397 7.198 -6.287 371 H GLY 46 H GLY 46 6.264 5.077 -8.276 372 1HA GLY 46 2HA GLY 46 5.573 2.997 -10.251 373 2HA GLY 46 1HA GLY 46 7.243 3.562 -10.261 374 H PHE 47 H PHE 47 5.300 3.311 -7.311 375 HA PHE 47 HA PHE 47 6.881 0.908 -6.552 376 1HB PHE 47 2HB PHE 47 7.795 1.935 -4.695 377 2HB PHE 47 1HB PHE 47 7.736 3.275 -5.830 378 HD1 PHE 47 HD1 PHE 47 6.323 5.128 -5.491 379 HD2 PHE 47 HD2 PHE 47 6.043 1.722 -2.921 380 HE1 PHE 47 HE1 PHE 47 4.898 6.425 -3.949 381 HE2 PHE 47 HE2 PHE 47 4.614 3.004 -1.376 382 HZ PHE 47 HZ PHE 47 4.030 5.356 -1.896 383 H LEU 48 H LEU 48 3.844 2.657 -6.250 384 HA LEU 48 HA LEU 48 2.866 0.247 -4.796 385 1HB LEU 48 2HB LEU 48 2.813 3.063 -4.044 386 2HB LEU 48 1HB LEU 48 1.240 2.276 -3.919 387 HG LEU 48 HG LEU 48 3.822 1.500 -2.556 388 1HD1 LEU 48 1HD1 LEU 48 1.069 2.333 -1.683 389 2HD1 LEU 48 2HD1 LEU 48 2.616 3.085 -1.296 390 3HD1 LEU 48 3HD1 LEU 48 2.190 1.530 -0.585 391 1HD2 LEU 48 1HD2 LEU 48 1.886 -0.289 -1.684 392 2HD2 LEU 48 2HD2 LEU 48 3.199 -0.663 -2.798 393 3HD2 LEU 48 3HD2 LEU 48 1.610 -0.220 -3.425 394 H ASN 49 H ASN 49 1.437 -0.792 -6.040 395 HA ASN 49 HA ASN 49 -0.281 0.806 -7.912 396 1HB ASN 49 2HB ASN 49 1.389 -1.582 -8.124 397 2HB ASN 49 1HB ASN 49 -0.251 -1.882 -8.698 398 1HD2 ASN 49 1HD2 ASN 49 2.457 -1.394 -10.160 399 2HD2 ASN 49 2HD2 ASN 49 2.074 -0.202 -11.306 400 H ILE 50 H ILE 50 -2.057 1.080 -6.430 401 HA ILE 50 HA ILE 50 -3.247 -1.292 -5.122 402 HB ILE 50 HB ILE 50 -4.425 1.478 -5.299 403 1HG1 ILE 50 2HG1 ILE 50 -2.063 1.839 -4.740 404 2HG1 ILE 50 1HG1 ILE 50 -3.066 2.120 -3.319 405 1HG2 ILE 50 1HG2 ILE 50 -5.268 -0.786 -4.039 406 2HG2 ILE 50 2HG2 ILE 50 -5.681 0.847 -3.521 407 3HG2 ILE 50 3HG2 ILE 50 -4.343 -0.007 -2.755 408 1HD1 ILE 50 1HD1 ILE 50 -2.432 0.092 -2.315 409 2HD1 ILE 50 2HD1 ILE 50 -0.932 0.674 -3.036 410 3HD1 ILE 50 3HD1 ILE 50 -1.863 -0.589 -3.838 411 H LYS 51 H LYS 51 -4.995 -2.451 -6.022 412 HA LYS 51 HA LYS 51 -6.623 -1.061 -8.104 413 1HB LYS 51 2HB LYS 51 -6.195 -2.934 -9.702 414 2HB LYS 51 1HB LYS 51 -4.733 -2.029 -9.312 415 1HG LYS 51 2HG LYS 51 -4.070 -3.738 -7.691 416 2HG LYS 51 1HG LYS 51 -5.565 -4.624 -7.982 417 1HD LYS 51 2HD LYS 51 -3.993 -4.003 -10.408 418 2HD LYS 51 1HD LYS 51 -3.232 -5.136 -9.290 419 1HE LYS 51 2HE LYS 51 -4.766 -6.777 -9.722 420 2HE LYS 51 1HE LYS 51 -6.115 -5.626 -9.791 421 1HZ LYS 51 1HZ LYS 51 -5.333 -4.856 -11.927 422 2HZ LYS 51 2HZ LYS 51 -5.582 -6.535 -11.991 423 3HZ LYS 51 3HZ LYS 51 -4.006 -5.910 -11.868 424 HA PRO 52 HA PRO 52 -9.513 -3.663 -5.909 425 1HB PRO 52 2HB PRO 52 -11.783 -2.603 -6.964 426 2HB PRO 52 1HB PRO 52 -10.841 -1.779 -5.704 427 1HG PRO 52 2HG PRO 52 -11.002 -1.239 -8.600 428 2HG PRO 52 1HG PRO 52 -10.733 -0.126 -7.253 429 1HD PRO 52 2HD PRO 52 -8.772 -1.113 -8.978 430 2HD PRO 52 1HD PRO 52 -8.480 -0.329 -7.411 431 H VAL 53 H VAL 53 -10.431 -5.591 -6.470 432 HA VAL 53 HA VAL 53 -11.194 -6.072 -9.298 433 HB VAL 53 HB VAL 53 -9.895 -8.160 -9.278 434 1HG1 VAL 53 1HG1 VAL 53 -8.884 -5.949 -9.997 435 2HG1 VAL 53 2HG1 VAL 53 -7.705 -7.146 -9.463 436 3HG1 VAL 53 3HG1 VAL 53 -8.171 -5.828 -8.389 437 1HG2 VAL 53 1HG2 VAL 53 -9.612 -8.967 -7.146 438 2HG2 VAL 53 2HG2 VAL 53 -9.567 -7.354 -6.443 439 3HG2 VAL 53 3HG2 VAL 53 -8.129 -8.016 -7.212 440 H ALA 54 H ALA 54 -13.244 -6.706 -9.198 441 HA ALA 54 HA ALA 54 -14.825 -7.400 -7.072 442 1HB ALA 54 1HB ALA 54 -16.361 -7.901 -8.681 443 2HB ALA 54 2HB ALA 54 -15.273 -9.009 -9.518 444 3HB ALA 54 3HB ALA 54 -15.114 -7.268 -9.756 445 H ARG 55 H ARG 55 -14.963 -9.026 -5.648 446 HA ARG 55 HA ARG 55 -14.166 -11.783 -6.355 447 1HB ARG 55 2HB ARG 55 -12.506 -9.881 -4.912 448 2HB ARG 55 1HB ARG 55 -12.897 -11.259 -3.884 449 1HG ARG 55 2HG ARG 55 -12.313 -12.452 -6.317 450 2HG ARG 55 1HG ARG 55 -11.152 -11.126 -6.238 451 1HD ARG 55 2HD ARG 55 -9.925 -12.603 -4.983 452 2HD ARG 55 1HD ARG 55 -11.021 -12.119 -3.674 453 HE ARG 55 HE ARG 55 -12.175 -14.196 -5.351 454 1HH1 ARG 55 1HH2 ARG 55 -9.279 -14.446 -3.828 455 2HH1 ARG 55 2HH2 ARG 55 -9.771 -15.585 -2.620 456 1HH2 ARG 55 1HH1 ARG 55 -13.153 -15.272 -3.322 457 2HH2 ARG 55 2HH1 ARG 55 -11.964 -16.053 -2.333 458 H GLN 56 H GLN 56 -15.116 -13.312 -4.843 459 HA GLN 56 HA GLN 56 -17.036 -12.062 -2.902 460 1HB GLN 56 2HB GLN 56 -18.549 -13.934 -3.524 461 2HB GLN 56 1HB GLN 56 -18.126 -12.938 -4.915 462 1HG GLN 56 2HG GLN 56 -16.399 -14.560 -5.573 463 2HG GLN 56 1HG GLN 56 -16.780 -15.551 -4.164 464 1HE2 GLN 56 1HE2 GLN 56 -18.572 -14.016 -6.906 465 2HE2 GLN 56 2HE2 GLN 56 -19.581 -15.353 -7.182 466 H ALA 57 H ALA 57 -17.927 -14.183 -1.543 467 HA ALA 57 HA ALA 57 -15.823 -16.054 -0.752 468 1HB ALA 57 1HB ALA 57 -16.469 -13.527 0.766 469 2HB ALA 57 2HB ALA 57 -14.889 -14.172 0.340 470 3HB ALA 57 3HB ALA 57 -15.833 -14.934 1.615 471 H ARG 58 H ARG 58 -16.671 -17.602 0.856 472 HA ARG 58 HA ARG 58 -19.523 -17.316 1.671 473 1HB ARG 58 2HB ARG 58 -18.342 -19.337 -0.196 474 2HB ARG 58 1HB ARG 58 -19.862 -19.613 0.648 475 1HG ARG 58 2HG ARG 58 -19.271 -17.299 -1.208 476 2HG ARG 58 1HG ARG 58 -20.256 -18.703 -1.605 477 1HD ARG 58 2HD ARG 58 -21.751 -18.092 0.361 478 2HD ARG 58 1HD ARG 58 -20.860 -16.560 0.455 479 HE ARG 58 HE ARG 58 -22.617 -17.398 -1.777 480 1HH1 ARG 58 1HH2 ARG 58 -22.319 -14.740 -0.100 481 2HH1 ARG 58 2HH2 ARG 58 -21.782 -13.678 -1.358 482 1HH2 ARG 58 1HH1 ARG 58 -21.045 -16.243 -3.573 483 2HH2 ARG 58 2HH1 ARG 58 -21.061 -14.528 -3.324 484 H LYS 59 H LYS 59 -20.155 -18.933 3.282 485 HA LYS 59 HA LYS 59 -17.826 -20.306 4.574 486 1HB LYS 59 2HB LYS 59 -18.841 -19.809 6.686 487 2HB LYS 59 1HB LYS 59 -18.928 -18.329 5.744 488 1HG LYS 59 2HG LYS 59 -21.277 -19.657 5.064 489 2HG LYS 59 1HG LYS 59 -21.094 -20.006 6.780 490 1HD LYS 59 2HD LYS 59 -21.393 -17.330 5.424 491 2HD LYS 59 1HD LYS 59 -22.314 -17.994 6.765 492 1HE LYS 59 2HE LYS 59 -19.402 -17.110 6.899 493 2HE LYS 59 1HE LYS 59 -20.787 -16.253 7.596 494 1HZ LYS 59 1HZ LYS 59 -19.837 -18.981 8.279 495 2HZ LYS 59 2HZ LYS 59 -21.332 -18.355 8.791 496 3HZ LYS 59 3HZ LYS 59 -19.883 -17.627 9.299 497 H GLY 60 H GLY 60 -18.560 -22.269 5.898 498 1HA GLY 60 2HA GLY 60 -19.574 -24.387 5.936 499 2HA GLY 60 1HA GLY 60 -21.046 -23.580 5.392 500 H PHE 61 H PHE 61 -18.333 -23.058 3.369 501 HA PHE 61 HA PHE 61 -19.506 -24.145 1.108 502 1HB PHE 61 2HB PHE 61 -17.827 -22.470 0.957 503 2HB PHE 61 1HB PHE 61 -16.693 -23.491 1.816 504 HD1 PHE 61 HD1 PHE 61 -17.925 -22.507 -1.415 505 HD2 PHE 61 HD2 PHE 61 -15.937 -25.691 0.674 506 HE1 PHE 61 HE1 PHE 61 -17.013 -23.354 -3.543 507 HE2 PHE 61 HE2 PHE 61 -15.036 -26.538 -1.457 508 HZ PHE 61 HZ PHE 61 -15.572 -25.358 -3.573 509 H ASN 62 H ASN 62 -18.431 -25.941 -0.303 510 HA ASN 62 HA ASN 62 -16.894 -28.025 0.283 511 1HB ASN 62 2HB ASN 62 -17.523 -28.320 2.496 512 2HB ASN 62 1HB ASN 62 -19.228 -28.028 2.153 513 1HD2 ASN 62 1HD2 ASN 62 -16.829 -30.495 2.514 514 2HD2 ASN 62 2HD2 ASN 62 -17.790 -31.809 2.035 515 HA PRO 63 HA PRO 63 -20.704 -29.837 -1.994 516 1HB PRO 63 2HB PRO 63 -22.569 -28.006 -2.832 517 2HB PRO 63 1HB PRO 63 -22.717 -28.921 -1.318 518 1HG PRO 63 2HG PRO 63 -21.790 -26.125 -1.756 519 2HG PRO 63 1HG PRO 63 -22.807 -26.789 -0.467 520 1HD PRO 63 2HD PRO 63 -20.182 -26.232 -0.129 521 2HD PRO 63 1HD PRO 63 -21.005 -27.533 0.754 522 H GLN 64 H GLN 64 -18.813 -27.075 -2.490 523 HA GLN 64 HA GLN 64 -19.092 -27.165 -5.440 524 1HB GLN 64 2HB GLN 64 -18.542 -25.176 -3.419 525 2HB GLN 64 1HB GLN 64 -17.305 -25.156 -4.677 526 1HG GLN 64 2HG GLN 64 -18.723 -24.087 -6.056 527 2HG GLN 64 1HG GLN 64 -19.848 -25.442 -5.955 528 1HE2 GLN 64 1HE2 GLN 64 -21.746 -24.059 -5.857 529 2HE2 GLN 64 2HE2 GLN 64 -22.089 -23.109 -4.493 530 H THR 65 H THR 65 -16.657 -27.346 -2.866 531 HA THR 65 HA THR 65 -14.967 -29.071 -4.596 532 HB THR 65 HB THR 65 -14.077 -26.476 -3.288 533 HG1 THR 65 HG1 THR 65 -15.187 -26.160 -5.224 534 1HG2 THR 65 1HG2 THR 65 -12.608 -28.747 -4.573 535 2HG2 THR 65 2HG2 THR 65 -12.182 -27.807 -3.142 536 3HG2 THR 65 3HG2 THR 65 -11.984 -27.107 -4.749 537 H GLN 66 H GLN 66 -16.573 -29.040 -1.920 538 HA GLN 66 HA GLN 66 -16.389 -30.025 0.192 539 1HB GLN 66 2HB GLN 66 -14.044 -31.295 -1.252 540 2HB GLN 66 1HB GLN 66 -14.746 -31.903 0.247 541 1HG GLN 66 2HG GLN 66 -16.065 -33.141 -1.133 542 2HG GLN 66 1HG GLN 66 -16.979 -31.644 -1.316 543 1HE2 GLN 66 1HE2 GLN 66 -16.863 -30.544 -3.348 544 2HE2 GLN 66 2HE2 GLN 66 -16.004 -31.153 -4.680 545 H GLU 67 H GLU 67 -15.870 -28.459 1.646 546 HA GLU 67 HA GLU 67 -13.927 -28.232 3.385 547 1HB GLU 67 2HB GLU 67 -12.120 -28.373 1.822 548 2HB GLU 67 1HB GLU 67 -12.862 -27.186 0.745 549 1HG GLU 67 2HG GLU 67 -12.213 -25.405 2.034 550 2HG GLU 67 1HG GLU 67 -12.267 -26.335 3.532 551 H ALA 68 H ALA 68 -15.997 -27.139 4.074 552 HA ALA 68 HA ALA 68 -17.078 -24.790 3.031 553 1HB ALA 68 1HB ALA 68 -16.743 -25.811 5.834 554 2HB ALA 68 2HB ALA 68 -18.180 -25.849 4.813 555 3HB ALA 68 3HB ALA 68 -17.625 -24.322 5.497 556 H LEU 69 H LEU 69 -16.723 -22.599 3.303 557 HA LEU 69 HA LEU 69 -13.942 -21.928 4.223 558 1HB LEU 69 2HB LEU 69 -15.479 -20.607 1.979 559 2HB LEU 69 1HB LEU 69 -13.734 -20.617 2.250 560 HG LEU 69 HG LEU 69 -15.240 -23.191 1.812 561 1HD1 LEU 69 1HD1 LEU 69 -14.097 -21.401 -0.326 562 2HD1 LEU 69 2HD1 LEU 69 -15.794 -21.831 -0.110 563 3HD1 LEU 69 3HD1 LEU 69 -14.624 -23.066 -0.573 564 1HD2 LEU 69 1HD2 LEU 69 -12.935 -23.781 0.848 565 2HD2 LEU 69 2HD2 LEU 69 -13.067 -23.596 2.598 566 3HD2 LEU 69 3HD2 LEU 69 -12.379 -22.296 1.623 567 H GLU 70 H GLU 70 -14.873 -19.075 3.313 568 HA GLU 70 HA GLU 70 -16.562 -18.304 5.625 569 1HB GLU 70 2HB GLU 70 -13.809 -18.261 5.759 570 2HB GLU 70 1HB GLU 70 -14.152 -16.642 5.148 571 1HG GLU 70 2HG GLU 70 -16.026 -16.786 7.086 572 2HG GLU 70 1HG GLU 70 -14.802 -17.845 7.786 573 H ILE 71 H ILE 71 -17.422 -16.038 5.200 574 HA ILE 71 HA ILE 71 -17.228 -15.452 2.306 575 HB ILE 71 HB ILE 71 -19.389 -15.839 2.241 576 1HG1 ILE 71 2HG1 ILE 71 -20.683 -14.517 4.361 577 2HG1 ILE 71 1HG1 ILE 71 -19.395 -13.439 3.824 578 1HG2 ILE 71 1HG2 ILE 71 -18.638 -17.296 4.248 579 2HG2 ILE 71 2HG2 ILE 71 -20.347 -17.125 3.878 580 3HG2 ILE 71 3HG2 ILE 71 -19.628 -16.184 5.184 581 1HD1 ILE 71 1HD1 ILE 71 -21.642 -14.622 2.232 582 2HD1 ILE 71 2HD1 ILE 71 -20.161 -14.088 1.438 583 3HD1 ILE 71 3HD1 ILE 71 -21.138 -12.935 2.348 584 H ALA 72 H ALA 72 -17.995 -13.283 1.742 585 HA ALA 72 HA ALA 72 -18.129 -10.969 3.226 586 1HB ALA 72 1HB ALA 72 -15.395 -12.153 3.118 587 2HB ALA 72 2HB ALA 72 -16.153 -11.210 4.401 588 3HB ALA 72 3HB ALA 72 -15.518 -10.399 2.969 589 HA PRO 73 HA PRO 73 -17.974 -10.831 -1.456 590 1HB PRO 73 2HB PRO 73 -20.348 -9.449 -1.669 591 2HB PRO 73 1HB PRO 73 -20.238 -11.222 -1.643 592 1HG PRO 73 2HG PRO 73 -20.812 -9.338 0.614 593 2HG PRO 73 1HG PRO 73 -21.653 -10.834 0.163 594 1HD PRO 73 2HD PRO 73 -19.893 -10.860 2.149 595 2HD PRO 73 1HD PRO 73 -19.933 -12.197 0.973 596 H SER 74 H SER 74 -16.596 -9.286 -2.090 597 HA SER 74 HA SER 74 -17.195 -6.459 -1.998 598 1HB SER 74 2HB SER 74 -15.293 -5.908 -0.429 599 2HB SER 74 1HB SER 74 -16.626 -6.753 0.354 600 HG SER 74 HG SER 74 -15.404 -8.477 0.590 601 H VAL 75 H VAL 75 -15.587 -5.291 -3.315 602 HA VAL 75 HA VAL 75 -14.319 -6.794 -5.345 603 HB VAL 75 HB VAL 75 -14.784 -4.134 -4.791 604 1HG1 VAL 75 1HG1 VAL 75 -11.782 -4.345 -5.033 605 2HG1 VAL 75 2HG1 VAL 75 -12.560 -4.236 -3.454 606 3HG1 VAL 75 3HG1 VAL 75 -12.755 -2.932 -4.625 607 1HG2 VAL 75 1HG2 VAL 75 -14.564 -5.379 -6.998 608 2HG2 VAL 75 2HG2 VAL 75 -12.825 -5.104 -6.885 609 3HG2 VAL 75 3HG2 VAL 75 -13.929 -3.734 -6.995 610 H GLY 76 H GLY 76 -11.773 -6.548 -5.684 611 1HA GLY 76 2HA GLY 76 -10.513 -7.545 -3.158 612 2HA GLY 76 1HA GLY 76 -10.045 -8.092 -4.769 613 H VAL 77 H VAL 77 -10.272 -5.114 -2.839 614 HA VAL 77 HA VAL 77 -8.674 -3.387 -4.374 615 HB VAL 77 HB VAL 77 -9.897 -2.661 -2.413 616 1HG1 VAL 77 1HG1 VAL 77 -8.501 -3.596 -0.180 617 2HG1 VAL 77 2HG1 VAL 77 -8.628 -5.008 -1.227 618 3HG1 VAL 77 3HG1 VAL 77 -10.084 -4.150 -0.725 619 1HG2 VAL 77 1HG2 VAL 77 -7.061 -2.173 -2.674 620 2HG2 VAL 77 2HG2 VAL 77 -7.514 -2.136 -0.970 621 3HG2 VAL 77 3HG2 VAL 77 -8.324 -1.076 -2.122 622 H SER 78 H SER 78 -7.090 -4.942 -5.302 623 HA SER 78 HA SER 78 -5.057 -6.134 -3.604 624 1HB SER 78 2HB SER 78 -4.622 -5.496 -6.496 625 2HB SER 78 1HB SER 78 -4.258 -6.975 -5.616 626 HG SER 78 HG SER 78 -6.159 -6.904 -7.127 627 H VAL 79 H VAL 79 -2.691 -5.544 -4.254 628 HA VAL 79 HA VAL 79 -2.029 -2.746 -4.770 629 HB VAL 79 HB VAL 79 -1.949 -3.996 -1.996 630 1HG1 VAL 79 1HG1 VAL 79 0.176 -2.966 -2.167 631 2HG1 VAL 79 2HG1 VAL 79 -0.838 -1.795 -1.330 632 3HG1 VAL 79 3HG1 VAL 79 -0.474 -1.582 -3.038 633 1HG2 VAL 79 1HG2 VAL 79 -3.371 -1.679 -3.249 634 2HG2 VAL 79 2HG2 VAL 79 -2.993 -1.629 -1.530 635 3HG2 VAL 79 3HG2 VAL 79 -4.002 -2.922 -2.173 636 H LYS 80 H LYS 80 0.505 -2.551 -4.254 637 HA LYS 80 HA LYS 80 2.039 -4.933 -3.870 638 1HB LYS 80 2HB LYS 80 1.056 -4.259 -6.559 639 2HB LYS 80 1HB LYS 80 2.804 -4.476 -6.500 640 1HG LYS 80 2HG LYS 80 2.583 -6.706 -6.320 641 2HG LYS 80 1HG LYS 80 1.487 -6.534 -4.949 642 1HD LYS 80 2HD LYS 80 -0.236 -5.836 -6.844 643 2HD LYS 80 1HD LYS 80 0.853 -6.778 -7.865 644 1HE LYS 80 2HE LYS 80 0.099 -8.039 -5.275 645 2HE LYS 80 1HE LYS 80 -1.183 -7.920 -6.497 646 1HZ LYS 80 1HZ LYS 80 1.534 -9.060 -6.876 647 2HZ LYS 80 2HZ LYS 80 0.426 -8.796 -8.136 648 3HZ LYS 80 3HZ LYS 80 0.067 -9.910 -6.905 649 HA PRO 81 HA PRO 81 5.168 -1.736 -3.921 650 1HB PRO 81 2HB PRO 81 7.300 -3.398 -3.580 651 2HB PRO 81 1HB PRO 81 6.088 -3.136 -2.311 652 1HG PRO 81 2HG PRO 81 6.592 -5.519 -3.883 653 2HG PRO 81 1HG PRO 81 5.560 -5.319 -2.462 654 1HD PRO 81 2HD PRO 81 4.808 -5.327 -5.299 655 2HD PRO 81 1HD PRO 81 3.787 -5.521 -3.857 656 H GLY 82 H GLY 82 6.437 -0.715 -5.489 657 1HA GLY 82 2HA GLY 82 6.980 -2.167 -8.016 658 2HA GLY 82 1HA GLY 82 7.188 -0.430 -7.763 659 H GLU 83 H GLU 83 9.396 -0.416 -8.464 660 HA GLU 83 HA GLU 83 11.280 -2.069 -6.839 661 1HB GLU 83 2HB GLU 83 12.907 -1.336 -8.587 662 2HB GLU 83 1HB GLU 83 11.523 -2.204 -9.249 663 1HG GLU 83 2HG GLU 83 11.030 0.672 -9.054 664 2HG GLU 83 1HG GLU 83 12.423 0.303 -10.070 665 H SER 84 H SER 84 10.014 1.112 -7.104 666 HA SER 84 HA SER 84 12.212 2.738 -6.328 667 1HB SER 84 2HB SER 84 9.543 3.058 -6.823 668 2HB SER 84 1HB SER 84 9.575 3.264 -5.074 669 HG SER 84 HG SER 84 10.437 4.922 -7.036 670 H LEU 85 H LEU 85 10.134 0.569 -4.478 671 HA LEU 85 HA LEU 85 11.244 1.375 -1.877 672 1HB LEU 85 2HB LEU 85 9.676 -1.122 -2.556 673 2HB LEU 85 1HB LEU 85 9.732 -0.265 -1.021 674 HG LEU 85 HG LEU 85 8.821 1.516 -3.109 675 1HD1 LEU 85 1HD1 LEU 85 8.118 -0.957 -3.849 676 2HD1 LEU 85 2HD1 LEU 85 7.027 0.413 -4.042 677 3HD1 LEU 85 3HD1 LEU 85 6.841 -0.671 -2.666 678 1HD2 LEU 85 1HD2 LEU 85 6.909 0.570 -1.074 679 2HD2 LEU 85 2HD2 LEU 85 7.475 2.207 -1.408 680 3HD2 LEU 85 3HD2 LEU 85 8.444 1.126 -0.408 681 H LYS 86 H LYS 86 11.722 -1.145 -4.303 682 HA LYS 86 HA LYS 86 13.421 -2.797 -2.639 683 1HB LYS 86 2HB LYS 86 12.196 -2.823 -5.244 684 2HB LYS 86 1HB LYS 86 13.898 -3.259 -5.400 685 1HG LYS 86 2HG LYS 86 13.666 -5.182 -4.148 686 2HG LYS 86 1HG LYS 86 12.353 -4.517 -3.177 687 1HD LYS 86 2HD LYS 86 10.799 -4.748 -5.045 688 2HD LYS 86 1HD LYS 86 12.103 -5.307 -6.093 689 1HE LYS 86 2HE LYS 86 11.591 -6.774 -3.519 690 2HE LYS 86 1HE LYS 86 10.546 -7.085 -4.919 691 1HZ LYS 86 1HZ LYS 86 13.515 -7.205 -4.880 692 2HZ LYS 86 2HZ LYS 86 12.556 -7.384 -6.270 693 3HZ LYS 86 3HZ LYS 86 12.462 -8.528 -5.017 694 H LYS 87 H LYS 87 13.989 -0.337 -5.105 695 HA LYS 87 HA LYS 87 16.870 -0.623 -5.049 696 1HB LYS 87 2HB LYS 87 15.638 0.379 -6.940 697 2HB LYS 87 1HB LYS 87 15.008 1.639 -5.878 698 1HG LYS 87 2HG LYS 87 17.557 2.098 -5.388 699 2HG LYS 87 1HG LYS 87 17.797 1.269 -6.926 700 1HD LYS 87 2HD LYS 87 15.831 3.544 -6.619 701 2HD LYS 87 1HD LYS 87 17.522 3.814 -7.044 702 1HE LYS 87 2HE LYS 87 16.987 1.917 -8.859 703 2HE LYS 87 1HE LYS 87 15.346 2.565 -8.666 704 1HZ LYS 87 1HZ LYS 87 17.776 4.213 -9.125 705 2HZ LYS 87 2HZ LYS 87 16.179 4.782 -9.012 706 3HZ LYS 87 3HZ LYS 87 16.647 3.810 -10.324 707 H ALA 88 H ALA 88 14.428 1.295 -3.401 708 HA ALA 88 HA ALA 88 16.281 2.900 -1.847 709 1HB ALA 88 1HB ALA 88 14.249 3.491 -0.643 710 2HB ALA 88 2HB ALA 88 13.420 2.061 -1.260 711 3HB ALA 88 3HB ALA 88 13.845 3.377 -2.355 712 H ALA 89 H ALA 89 14.687 -0.229 -1.577 713 HA ALA 89 HA ALA 89 15.283 -0.820 1.150 714 1HB ALA 89 1HB ALA 89 14.784 -2.394 -1.363 715 2HB ALA 89 2HB ALA 89 13.759 -2.243 0.061 716 3HB ALA 89 3HB ALA 89 15.214 -3.237 0.122 717 H GLU 90 H GLU 90 17.128 -1.367 -1.842 718 HA GLU 90 HA GLU 90 19.382 -2.697 -0.744 719 1HB GLU 90 2HB GLU 90 18.650 -1.129 -3.110 720 2HB GLU 90 1HB GLU 90 20.337 -0.883 -2.661 721 1HG GLU 90 2HG GLU 90 19.250 -3.676 -2.700 722 2HG GLU 90 1HG GLU 90 19.658 -2.901 -4.231 723 H GLY 91 H GLY 91 18.332 0.656 -0.736 724 1HA GLY 91 2HA GLY 91 20.730 1.817 0.356 725 2HA GLY 91 1HA GLY 91 19.120 2.535 0.432 726 H LEU 92 H LEU 92 17.859 0.297 1.895 727 HA LEU 92 HA LEU 92 18.569 1.088 4.592 728 1HB LEU 92 2HB LEU 92 16.628 -0.071 5.113 729 2HB LEU 92 1HB LEU 92 16.369 0.187 3.394 730 HG LEU 92 HG LEU 92 17.752 -2.140 3.294 731 1HD1 LEU 92 1HD1 LEU 92 17.898 -3.080 5.340 732 2HD1 LEU 92 2HD1 LEU 92 16.144 -3.244 5.316 733 3HD1 LEU 92 3HD1 LEU 92 16.885 -1.823 6.050 734 1HD2 LEU 92 1HD2 LEU 92 14.987 -1.289 3.113 735 2HD2 LEU 92 2HD2 LEU 92 15.081 -2.934 3.741 736 3HD2 LEU 92 3HD2 LEU 92 15.825 -2.538 2.193 737 H LYS 93 H LYS 93 20.367 -0.821 2.611 738 HA LYS 93 HA LYS 93 22.026 -2.453 3.043 739 1HB LYS 93 2HB LYS 93 21.772 -0.863 5.335 740 2HB LYS 93 1HB LYS 93 21.626 -2.510 5.952 741 1HG LYS 93 2HG LYS 93 23.940 -2.210 5.983 742 2HG LYS 93 1HG LYS 93 23.707 -2.968 4.407 743 1HD LYS 93 2HD LYS 93 24.215 -1.056 3.260 744 2HD LYS 93 1HD LYS 93 23.467 -0.011 4.467 745 1HE LYS 93 2HE LYS 93 25.662 -1.190 5.788 746 2HE LYS 93 1HE LYS 93 26.263 -0.727 4.184 747 1HZ LYS 93 1HZ LYS 93 26.348 1.142 5.739 748 2HZ LYS 93 2HZ LYS 93 24.673 1.017 5.992 749 3HZ LYS 93 3HZ LYS 93 25.273 1.451 4.464 750 H TYR 94 H TYR 94 19.313 -3.096 2.523 751 HA TYR 94 HA TYR 94 17.906 -4.862 4.097 752 1HB TYR 94 2HB TYR 94 16.836 -5.277 2.139 753 2HB TYR 94 1HB TYR 94 17.899 -4.028 1.500 754 HD1 TYR 94 HD1 TYR 94 17.122 -7.568 1.607 755 HD2 TYR 94 HD2 TYR 94 19.968 -4.652 0.280 756 HE1 TYR 94 HE1 TYR 94 18.159 -9.275 0.138 757 HE2 TYR 94 HE2 TYR 94 21.015 -6.353 -1.200 758 HH TYR 94 HH TYR 94 21.017 -9.209 -1.007 759 H GLU 95 H GLU 95 20.911 -5.561 2.339 760 HA GLU 95 HA GLU 95 20.987 -8.382 2.663 761 1HB GLU 95 2HB GLU 95 23.433 -8.063 2.396 762 2HB GLU 95 1HB GLU 95 22.525 -7.073 1.255 763 1HG GLU 95 2HG GLU 95 22.703 -5.173 2.942 764 2HG GLU 95 1HG GLU 95 23.854 -6.177 3.823 765 H ASP 96 H ASP 96 22.043 -5.772 4.840 766 HA ASP 96 HA ASP 96 23.105 -7.426 6.931 767 1HB ASP 96 2HB ASP 96 22.455 -4.666 6.408 768 2HB ASP 96 1HB ASP 96 21.812 -5.102 7.992 769 H PHE 97 H PHE 97 19.890 -6.317 6.055 770 HA PHE 97 HA PHE 97 18.493 -7.349 8.386 771 1HB PHE 97 2HB PHE 97 18.003 -5.752 6.127 772 2HB PHE 97 1HB PHE 97 16.978 -7.166 5.892 773 HD1 PHE 97 HD1 PHE 97 17.488 -4.108 7.763 774 HD2 PHE 97 HD2 PHE 97 15.382 -7.851 7.725 775 HE1 PHE 97 HE1 PHE 97 15.872 -3.215 9.417 776 HE2 PHE 97 HE2 PHE 97 13.766 -6.959 9.380 777 HZ PHE 97 HZ PHE 97 14.012 -4.642 10.230 778 H ALA 98 H ALA 98 19.572 -8.634 5.311 779 HA ALA 98 HA ALA 98 17.913 -11.020 5.313 780 1HB ALA 98 1HB ALA 98 18.642 -10.500 3.191 781 2HB ALA 98 2HB ALA 98 19.980 -11.557 3.643 782 3HB ALA 98 3HB ALA 98 20.155 -9.807 3.777 783 H LYS 99 H LYS 99 21.454 -11.112 5.203 784 HA LYS 99 HA LYS 99 21.456 -13.456 6.994 785 1HB LYS 99 2HB LYS 99 23.811 -13.571 6.294 786 2HB LYS 99 1HB LYS 99 22.778 -13.314 4.889 787 1HG LYS 99 2HG LYS 99 23.309 -10.731 5.697 788 2HG LYS 99 1HG LYS 99 24.828 -11.553 6.052 789 1HD LYS 99 2HD LYS 99 24.929 -12.415 3.758 790 2HD LYS 99 1HD LYS 99 23.379 -11.657 3.390 791 1HE LYS 99 2HE LYS 99 24.347 -9.427 3.824 792 2HE LYS 99 1HE LYS 99 25.908 -10.179 4.209 793 1HZ LYS 99 1HZ LYS 99 24.465 -10.663 1.663 794 2HZ LYS 99 2HZ LYS 99 26.068 -11.079 2.045 795 3HZ LYS 99 3HZ LYS 99 25.637 -9.449 1.834 796 1H MET 1 1H MET 1 -4.850 6.921 -12.408 797 2H MET 1 2H MET 1 -6.107 7.199 -11.300 798 3H MET 1 3H MET 1 -4.790 6.219 -10.866 799 HA MET 1 HA MET 1 -4.400 9.064 -11.602 800 1HB MET 1 2HB MET 1 -4.429 9.304 -9.017 801 2HB MET 1 1HB MET 1 -5.977 9.206 -9.850 802 1HG MET 1 2HG MET 1 -6.236 6.898 -9.266 803 2HG MET 1 1HG MET 1 -4.569 6.800 -8.705 804 1HE MET 1 1HE MET 1 -7.683 9.566 -6.769 805 2HE MET 1 2HE MET 1 -7.628 9.031 -8.446 806 3HE MET 1 3HE MET 1 -6.419 10.167 -7.852 807 H ASN 2 H ASN 2 -2.699 9.609 -9.549 808 HA ASN 2 HA ASN 2 -0.810 7.631 -8.868 809 1HB ASN 2 2HB ASN 2 0.982 8.214 -10.524 810 2HB ASN 2 1HB ASN 2 -0.439 7.511 -11.291 811 1HD2 ASN 2 1HD2 ASN 2 1.705 10.084 -11.546 812 2HD2 ASN 2 2HD2 ASN 2 0.729 11.152 -12.434 813 H LYS 3 H LYS 3 1.585 9.217 -9.048 814 HA LYS 3 HA LYS 3 1.444 10.813 -6.733 815 1HB LYS 3 2HB LYS 3 3.264 10.477 -9.068 816 2HB LYS 3 1HB LYS 3 3.517 11.912 -8.076 817 1HG LYS 3 2HG LYS 3 3.210 10.013 -6.143 818 2HG LYS 3 1HG LYS 3 3.968 9.060 -7.416 819 1HD LYS 3 2HD LYS 3 5.868 10.516 -7.513 820 2HD LYS 3 1HD LYS 3 5.066 11.739 -6.530 821 1HE LYS 3 2HE LYS 3 6.079 9.017 -5.610 822 2HE LYS 3 1HE LYS 3 6.599 10.612 -5.040 823 1HZ LYS 3 1HZ LYS 3 5.043 10.067 -3.461 824 2HZ LYS 3 2HZ LYS 3 4.064 9.200 -4.544 825 3HZ LYS 3 3HZ LYS 3 4.065 10.899 -4.567 826 H THR 4 H THR 4 0.132 11.527 -9.828 827 HA THR 4 HA THR 4 0.195 14.475 -9.336 828 HB THR 4 HB THR 4 -0.475 12.691 -11.692 829 HG1 THR 4 HG1 THR 4 1.281 13.885 -12.576 830 1HG2 THR 4 1HG2 THR 4 -0.757 14.883 -12.946 831 2HG2 THR 4 2HG2 THR 4 -0.847 15.678 -11.373 832 3HG2 THR 4 3HG2 THR 4 -2.064 14.485 -11.830 833 H GLU 5 H GLU 5 -2.181 11.971 -10.309 834 HA GLU 5 HA GLU 5 -4.473 13.605 -9.775 835 1HB GLU 5 2HB GLU 5 -3.847 10.762 -10.319 836 2HB GLU 5 1HB GLU 5 -5.381 11.063 -9.503 837 1HG GLU 5 2HG GLU 5 -5.900 11.164 -11.817 838 2HG GLU 5 1HG GLU 5 -5.792 12.849 -11.306 839 H LEU 6 H LEU 6 -2.919 11.027 -7.799 840 HA LEU 6 HA LEU 6 -4.570 11.261 -5.493 841 1HB LEU 6 2HB LEU 6 -1.659 10.596 -5.973 842 2HB LEU 6 1HB LEU 6 -2.320 10.593 -4.341 843 HG LEU 6 HG LEU 6 -3.551 9.032 -6.623 844 1HD1 LEU 6 1HD1 LEU 6 -2.445 7.163 -4.974 845 2HD1 LEU 6 2HD1 LEU 6 -1.239 8.445 -4.866 846 3HD1 LEU 6 3HD1 LEU 6 -1.663 7.761 -6.435 847 1HD2 LEU 6 1HD2 LEU 6 -5.140 9.369 -4.883 848 2HD2 LEU 6 2HD2 LEU 6 -3.926 9.149 -3.624 849 3HD2 LEU 6 3HD2 LEU 6 -4.472 7.767 -4.573 850 H ILE 7 H ILE 7 -1.679 13.082 -6.470 851 HA ILE 7 HA ILE 7 -1.352 14.820 -4.267 852 HB ILE 7 HB ILE 7 -0.799 14.725 -7.171 853 1HG1 ILE 7 2HG1 ILE 7 0.692 15.713 -4.735 854 2HG1 ILE 7 1HG1 ILE 7 0.901 14.169 -5.548 855 1HG2 ILE 7 1HG2 ILE 7 -0.080 17.257 -7.008 856 2HG2 ILE 7 2HG2 ILE 7 -1.367 17.333 -5.809 857 3HG2 ILE 7 3HG2 ILE 7 -1.730 16.834 -7.458 858 1HD1 ILE 7 1HD1 ILE 7 1.400 15.671 -7.653 859 2HD1 ILE 7 2HD1 ILE 7 2.665 15.379 -6.458 860 3HD1 ILE 7 3HD1 ILE 7 1.765 16.897 -6.439 861 H LYS 8 H LYS 8 -3.336 15.192 -7.161 862 HA LYS 8 HA LYS 8 -4.804 17.508 -6.496 863 1HB LYS 8 2HB LYS 8 -4.616 15.642 -8.523 864 2HB LYS 8 1HB LYS 8 -6.210 15.296 -7.858 865 1HG LYS 8 2HG LYS 8 -6.314 18.000 -7.962 866 2HG LYS 8 1HG LYS 8 -5.247 17.674 -9.328 867 1HD LYS 8 2HD LYS 8 -8.113 16.888 -8.933 868 2HD LYS 8 1HD LYS 8 -7.315 17.509 -10.376 869 1HE LYS 8 2HE LYS 8 -5.983 15.187 -10.198 870 2HE LYS 8 1HE LYS 8 -7.469 14.694 -9.363 871 1HZ LYS 8 1HZ LYS 8 -7.400 16.114 -11.976 872 2HZ LYS 8 2HZ LYS 8 -8.777 15.509 -11.186 873 3HZ LYS 8 3HZ LYS 8 -7.612 14.440 -11.807 874 H ALA 9 H ALA 9 -5.347 14.058 -5.728 875 HA ALA 9 HA ALA 9 -7.909 14.148 -4.589 876 1HB ALA 9 1HB ALA 9 -7.272 12.114 -3.619 877 2HB ALA 9 2HB ALA 9 -5.648 12.689 -3.247 878 3HB ALA 9 3HB ALA 9 -6.079 12.271 -4.906 879 H ILE 10 H ILE 10 -4.784 15.138 -3.172 880 HA ILE 10 HA ILE 10 -6.196 15.997 -0.714 881 HB ILE 10 HB ILE 10 -3.416 15.391 -1.635 882 1HG1 ILE 10 2HG1 ILE 10 -3.253 14.496 0.680 883 2HG1 ILE 10 1HG1 ILE 10 -4.873 15.114 1.009 884 1HG2 ILE 10 1HG2 ILE 10 -4.006 17.539 0.415 885 2HG2 ILE 10 2HG2 ILE 10 -3.011 17.679 -1.033 886 3HG2 ILE 10 3HG2 ILE 10 -2.462 16.693 0.321 887 1HD1 ILE 10 1HD1 ILE 10 -5.896 13.499 -0.260 888 2HD1 ILE 10 2HD1 ILE 10 -4.429 12.601 0.130 889 3HD1 ILE 10 3HD1 ILE 10 -4.571 13.427 -1.422 890 H ALA 11 H ALA 11 -4.607 17.172 -3.622 891 HA ALA 11 HA ALA 11 -4.564 19.950 -2.811 892 1HB ALA 11 1HB ALA 11 -3.619 18.373 -4.878 893 2HB ALA 11 2HB ALA 11 -3.574 20.134 -4.874 894 3HB ALA 11 3HB ALA 11 -4.897 19.287 -5.677 895 H GLN 12 H GLN 12 -7.110 17.807 -3.487 896 HA GLN 12 HA GLN 12 -8.952 20.070 -4.109 897 1HB GLN 12 2HB GLN 12 -9.111 18.750 -6.009 898 2HB GLN 12 1HB GLN 12 -8.629 17.292 -5.155 899 1HG GLN 12 2HG GLN 12 -10.768 16.728 -4.638 900 2HG GLN 12 1HG GLN 12 -11.237 18.397 -4.317 901 1HE2 GLN 12 1HE2 GLN 12 -12.567 16.273 -6.061 902 2HE2 GLN 12 2HE2 GLN 12 -12.728 17.011 -7.581 903 H ASP 13 H ASP 13 -8.603 16.960 -2.334 904 HA ASP 13 HA ASP 13 -11.113 17.307 -0.865 905 1HB ASP 13 2HB ASP 13 -8.560 15.726 -0.377 906 2HB ASP 13 1HB ASP 13 -10.001 15.581 0.627 907 H THR 14 H THR 14 -7.762 18.105 -0.556 908 HA THR 14 HA THR 14 -8.118 19.579 1.994 909 HB THR 14 HB THR 14 -5.486 19.556 0.722 910 HG1 THR 14 HG1 THR 14 -6.756 17.057 1.156 911 1HG2 THR 14 1HG2 THR 14 -5.977 17.762 2.972 912 2HG2 THR 14 2HG2 THR 14 -6.523 19.414 3.252 913 3HG2 THR 14 3HG2 THR 14 -4.839 19.099 2.819 914 H GLY 15 H GLY 15 -6.079 20.302 -0.837 915 1HA GLY 15 2HA GLY 15 -5.815 22.259 -2.096 916 2HA GLY 15 1HA GLY 15 -7.574 22.289 -2.108 917 H LEU 16 H LEU 16 -6.544 22.464 1.061 918 HA LEU 16 HA LEU 16 -7.443 25.127 1.469 919 1HB LEU 16 2HB LEU 16 -6.319 24.847 3.696 920 2HB LEU 16 1HB LEU 16 -7.413 23.528 3.259 921 HG LEU 16 HG LEU 16 -4.943 22.975 2.069 922 1HD1 LEU 16 1HD1 LEU 16 -4.399 24.619 4.181 923 2HD1 LEU 16 2HD1 LEU 16 -3.293 23.391 3.567 924 3HD1 LEU 16 3HD1 LEU 16 -4.331 23.032 4.948 925 1HD2 LEU 16 1HD2 LEU 16 -5.319 20.926 2.986 926 2HD2 LEU 16 2HD2 LEU 16 -6.905 21.610 3.328 927 3HD2 LEU 16 3HD2 LEU 16 -5.665 21.585 4.581 928 H THR 17 H THR 17 -4.394 23.879 0.509 929 HA THR 17 HA THR 17 -3.360 26.581 0.036 930 HB THR 17 HB THR 17 -3.007 25.398 2.504 931 HG1 THR 17 HG1 THR 17 -1.413 27.271 1.100 932 1HG2 THR 17 1HG2 THR 17 -0.541 24.882 2.547 933 2HG2 THR 17 2HG2 THR 17 -0.566 24.870 0.791 934 3HG2 THR 17 3HG2 THR 17 -1.518 23.693 1.695 935 H GLN 18 H GLN 18 -3.412 23.199 -0.572 936 HA GLN 18 HA GLN 18 -2.188 21.854 -2.096 937 1HB GLN 18 2HB GLN 18 -1.377 24.513 -3.304 938 2HB GLN 18 1HB GLN 18 -1.645 22.984 -4.141 939 1HG GLN 18 2HG GLN 18 -4.070 23.165 -3.240 940 2HG GLN 18 1HG GLN 18 -3.680 24.864 -2.964 941 1HE2 GLN 18 1HE2 GLN 18 -1.989 25.303 -5.247 942 2HE2 GLN 18 2HE2 GLN 18 -2.942 25.178 -6.646 943 H VAL 19 H VAL 19 -1.080 22.747 0.346 944 HA VAL 19 HA VAL 19 1.205 23.759 0.965 945 HB VAL 19 HB VAL 19 0.557 22.059 2.401 946 1HG1 VAL 19 1HG1 VAL 19 -0.905 20.707 1.232 947 2HG1 VAL 19 2HG1 VAL 19 0.436 19.593 1.500 948 3HG1 VAL 19 3HG1 VAL 19 0.253 20.392 -0.062 949 1HG2 VAL 19 1HG2 VAL 19 3.133 21.754 1.406 950 2HG2 VAL 19 2HG2 VAL 19 2.488 20.117 1.454 951 3HG2 VAL 19 3HG2 VAL 19 2.510 21.101 2.918 952 H SER 20 H SER 20 2.175 20.717 -0.411 953 HA SER 20 HA SER 20 3.634 22.099 -2.572 954 1HB SER 20 2HB SER 20 5.682 21.249 -1.888 955 2HB SER 20 1HB SER 20 4.923 21.498 -0.330 956 HG SER 20 HG SER 20 4.142 19.276 -0.597 957 H VAL 21 H VAL 21 1.184 20.378 -2.205 958 HA VAL 21 HA VAL 21 0.679 17.971 -2.683 959 HB VAL 21 HB VAL 21 -0.314 18.433 -4.918 960 1HG1 VAL 21 1HG1 VAL 21 -1.916 19.318 -3.615 961 2HG1 VAL 21 2HG1 VAL 21 -1.150 20.891 -3.836 962 3HG1 VAL 21 3HG1 VAL 21 -0.718 19.886 -2.453 963 1HG2 VAL 21 1HG2 VAL 21 -0.019 20.808 -5.762 964 2HG2 VAL 21 2HG2 VAL 21 1.393 19.771 -5.955 965 3HG2 VAL 21 3HG2 VAL 21 1.338 20.952 -4.646 966 H SER 22 H SER 22 2.965 19.571 -4.726 967 HA SER 22 HA SER 22 3.740 17.141 -6.197 968 1HB SER 22 2HB SER 22 4.228 20.011 -6.234 969 2HB SER 22 1HB SER 22 5.720 19.108 -6.491 970 HG SER 22 HG SER 22 4.831 18.136 -8.241 971 H LYS 23 H LYS 23 5.067 19.004 -3.484 972 HA LYS 23 HA LYS 23 7.385 17.207 -3.299 973 1HB LYS 23 2HB LYS 23 6.574 19.843 -2.447 974 2HB LYS 23 1HB LYS 23 7.259 18.944 -1.096 975 1HG LYS 23 2HG LYS 23 9.235 18.407 -2.502 976 2HG LYS 23 1HG LYS 23 8.548 19.377 -3.806 977 1HD LYS 23 2HD LYS 23 9.522 20.312 -1.100 978 2HD LYS 23 1HD LYS 23 10.064 20.838 -2.693 979 1HE LYS 23 2HE LYS 23 7.486 21.531 -2.939 980 2HE LYS 23 1HE LYS 23 7.614 21.636 -1.171 981 1HZ LYS 23 1HZ LYS 23 9.489 22.891 -3.111 982 2HZ LYS 23 2HZ LYS 23 9.594 22.991 -1.417 983 3HZ LYS 23 3HZ LYS 23 8.293 23.717 -2.235 984 H MET 24 H MET 24 4.268 17.734 -1.580 985 HA MET 24 HA MET 24 5.095 16.066 0.641 986 1HB MET 24 2HB MET 24 2.347 15.810 0.596 987 2HB MET 24 1HB MET 24 3.235 17.067 1.433 988 1HG MET 24 2HG MET 24 2.470 18.678 0.044 989 2HG MET 24 1HG MET 24 2.750 17.695 -1.396 990 1HE MET 24 1HE MET 24 0.833 16.134 -2.548 991 2HE MET 24 2HE MET 24 0.039 15.143 -1.328 992 3HE MET 24 3HE MET 24 1.777 15.398 -1.252 993 H LEU 25 H LEU 25 3.430 15.364 -2.490 994 HA LEU 25 HA LEU 25 3.219 12.522 -1.783 995 1HB LEU 25 2HB LEU 25 2.849 14.197 -4.263 996 2HB LEU 25 1HB LEU 25 2.792 12.440 -4.349 997 HG LEU 25 HG LEU 25 0.794 14.325 -3.342 998 1HD1 LEU 25 1HD1 LEU 25 -0.239 12.934 -4.807 999 2HD1 LEU 25 2HD1 LEU 25 -0.324 11.792 -3.469 1000 3HD1 LEU 25 3HD1 LEU 25 0.999 11.694 -4.630 1001 1HD2 LEU 25 1HD2 LEU 25 0.006 12.948 -1.463 1002 2HD2 LEU 25 2HD2 LEU 25 1.640 13.521 -1.139 1003 3HD2 LEU 25 3HD2 LEU 25 1.378 11.859 -1.665 1004 H ALA 26 H ALA 26 5.366 14.518 -3.837 1005 HA ALA 26 HA ALA 26 7.084 12.457 -4.776 1006 1HB ALA 26 1HB ALA 26 7.192 14.756 -5.577 1007 2HB ALA 26 2HB ALA 26 8.754 14.357 -4.861 1008 3HB ALA 26 3HB ALA 26 7.597 15.340 -3.963 1009 H SER 27 H SER 27 6.901 14.167 -1.698 1010 HA SER 27 HA SER 27 9.304 12.895 -0.593 1011 1HB SER 27 2HB SER 27 8.637 14.133 1.412 1012 2HB SER 27 1HB SER 27 8.484 15.185 0.008 1013 HG SER 27 HG SER 27 6.653 15.015 1.593 1014 H PHE 28 H PHE 28 5.794 12.504 -0.490 1015 HA PHE 28 HA PHE 28 5.497 10.597 1.585 1016 1HB PHE 28 2HB PHE 28 3.531 11.451 0.629 1017 2HB PHE 28 1HB PHE 28 4.148 11.287 -1.005 1018 HD1 PHE 28 HD1 PHE 28 4.307 8.930 -2.037 1019 HD2 PHE 28 HD2 PHE 28 2.211 9.752 1.623 1020 HE1 PHE 28 HE1 PHE 28 3.000 6.871 -2.314 1021 HE2 PHE 28 HE2 PHE 28 0.906 7.688 1.341 1022 HZ PHE 28 HZ PHE 28 1.300 6.226 -0.625 1023 H GLU 29 H GLU 29 6.174 10.058 -1.883 1024 HA GLU 29 HA GLU 29 6.559 7.219 -1.549 1025 1HB GLU 29 2HB GLU 29 6.084 8.396 -3.696 1026 2HB GLU 29 1HB GLU 29 7.686 9.140 -3.607 1027 1HG GLU 29 2HG GLU 29 7.884 6.311 -3.128 1028 2HG GLU 29 1HG GLU 29 7.030 6.612 -4.635 1029 H LYS 30 H LYS 30 8.539 10.112 -1.358 1030 HA LYS 30 HA LYS 30 11.091 8.825 -1.130 1031 1HB LYS 30 2HB LYS 30 10.474 11.304 -1.544 1032 2HB LYS 30 1HB LYS 30 10.269 11.408 0.206 1033 1HG LYS 30 2HG LYS 30 12.548 10.729 0.590 1034 2HG LYS 30 1HG LYS 30 12.778 10.356 -1.118 1035 1HD LYS 30 2HD LYS 30 12.303 12.786 -1.625 1036 2HD LYS 30 1HD LYS 30 12.338 13.090 0.112 1037 1HE LYS 30 2HE LYS 30 14.639 11.717 -1.299 1038 2HE LYS 30 1HE LYS 30 14.552 13.483 -1.135 1039 1HZ LYS 30 1HZ LYS 30 14.299 13.249 1.235 1040 2HZ LYS 30 2HZ LYS 30 15.705 12.429 0.749 1041 3HZ LYS 30 3HZ LYS 30 14.293 11.557 1.115 1042 H ILE 31 H ILE 31 8.390 9.194 1.053 1043 HA ILE 31 HA ILE 31 10.143 8.265 3.273 1044 HB ILE 31 HB ILE 31 8.001 8.831 4.592 1045 1HG1 ILE 31 2HG1 ILE 31 7.320 11.066 3.019 1046 2HG1 ILE 31 1HG1 ILE 31 7.189 9.639 2.005 1047 1HG2 ILE 31 1HG2 ILE 31 10.051 10.658 3.420 1048 2HG2 ILE 31 2HG2 ILE 31 9.902 10.076 5.077 1049 3HG2 ILE 31 3HG2 ILE 31 8.809 11.324 4.480 1050 1HD1 ILE 31 1HD1 ILE 31 5.235 10.412 3.702 1051 2HD1 ILE 31 2HD1 ILE 31 6.154 9.331 4.749 1052 3HD1 ILE 31 3HD1 ILE 31 5.498 8.736 3.226 1053 H ILE 32 H ILE 32 7.490 7.449 1.242 1054 HA ILE 32 HA ILE 32 6.654 5.073 2.713 1055 HB ILE 32 HB ILE 32 6.342 5.876 -0.199 1056 1HG1 ILE 32 2HG1 ILE 32 5.310 7.157 2.061 1057 2HG1 ILE 32 1HG1 ILE 32 4.667 7.284 0.426 1058 1HG2 ILE 32 1HG2 ILE 32 4.338 4.324 -0.025 1059 2HG2 ILE 32 2HG2 ILE 32 4.978 3.793 1.530 1060 3HG2 ILE 32 3HG2 ILE 32 5.909 3.528 0.057 1061 1HD1 ILE 32 1HD1 ILE 32 3.111 5.485 0.827 1062 2HD1 ILE 32 2HD1 ILE 32 2.957 6.641 2.150 1063 3HD1 ILE 32 3HD1 ILE 32 3.845 5.138 2.393 1064 H THR 33 H THR 33 8.317 5.609 -0.368 1065 HA THR 33 HA THR 33 9.295 2.924 -0.510 1066 HB THR 33 HB THR 33 9.211 5.354 -2.065 1067 HG1 THR 33 HG1 THR 33 8.431 3.699 -3.096 1068 1HG2 THR 33 1HG2 THR 33 11.558 5.635 -1.678 1069 2HG2 THR 33 2HG2 THR 33 11.362 4.969 -3.300 1070 3HG2 THR 33 3HG2 THR 33 11.862 3.923 -1.971 1071 H GLU 34 H GLU 34 10.577 6.023 0.708 1072 HA GLU 34 HA GLU 34 13.235 4.949 1.197 1073 1HB GLU 34 2HB GLU 34 11.699 7.387 2.086 1074 2HB GLU 34 1HB GLU 34 13.416 7.153 2.401 1075 1HG GLU 34 2HG GLU 34 12.174 7.084 -0.379 1076 2HG GLU 34 1HG GLU 34 12.998 8.490 0.296 1077 H THR 35 H THR 35 10.228 5.250 3.194 1078 HA THR 35 HA THR 35 11.518 4.690 5.717 1079 HB THR 35 HB THR 35 8.732 4.212 4.641 1080 HG1 THR 35 HG1 THR 35 9.808 5.836 6.707 1081 1HG2 THR 35 1HG2 THR 35 8.483 3.809 7.328 1082 2HG2 THR 35 2HG2 THR 35 10.058 3.076 7.033 1083 3HG2 THR 35 3HG2 THR 35 8.644 2.499 6.158 1084 H VAL 36 H VAL 36 9.926 2.533 3.346 1085 HA VAL 36 HA VAL 36 10.592 0.081 4.634 1086 HB VAL 36 HB VAL 36 9.738 1.067 2.026 1087 1HG1 VAL 36 1HG1 VAL 36 10.608 -0.897 0.711 1088 2HG1 VAL 36 2HG1 VAL 36 11.701 -1.242 2.052 1089 3HG1 VAL 36 3HG1 VAL 36 11.852 0.271 1.159 1090 1HG2 VAL 36 1HG2 VAL 36 9.522 -1.740 3.118 1091 2HG2 VAL 36 2HG2 VAL 36 8.384 -0.883 2.077 1092 3HG2 VAL 36 3HG2 VAL 36 8.561 -0.411 3.766 1093 H ALA 37 H ALA 37 12.438 2.278 2.591 1094 HA ALA 37 HA ALA 37 14.850 0.609 2.560 1095 1HB ALA 37 1HB ALA 37 15.751 2.647 1.437 1096 2HB ALA 37 2HB ALA 37 14.228 3.463 1.780 1097 3HB ALA 37 3HB ALA 37 14.254 2.064 0.712 1098 H LYS 38 H LYS 38 13.334 2.567 4.830 1099 HA LYS 38 HA LYS 38 15.881 3.444 6.115 1100 1HB LYS 38 2HB LYS 38 13.403 4.649 5.746 1101 2HB LYS 38 1HB LYS 38 13.308 4.064 7.406 1102 1HG LYS 38 2HG LYS 38 14.845 5.563 8.148 1103 2HG LYS 38 1HG LYS 38 15.874 5.348 6.732 1104 1HD LYS 38 2HD LYS 38 13.306 6.964 6.790 1105 2HD LYS 38 1HD LYS 38 14.934 7.642 6.844 1106 1HE LYS 38 2HE LYS 38 15.198 6.101 4.641 1107 2HE LYS 38 1HE LYS 38 13.462 6.457 4.542 1108 1HZ LYS 38 1HZ LYS 38 13.999 8.810 4.939 1109 2HZ LYS 38 2HZ LYS 38 14.691 8.230 3.499 1110 3HZ LYS 38 3HZ LYS 38 15.653 8.437 4.884 1111 H GLY 39 H GLY 39 13.246 1.229 6.247 1112 1HA GLY 39 2HA GLY 39 13.564 -0.882 7.351 1113 2HA GLY 39 1HA GLY 39 14.529 -0.055 8.569 1114 H ASP 40 H ASP 40 11.338 0.946 7.311 1115 HA ASP 40 HA ASP 40 10.240 0.360 10.050 1116 1HB ASP 40 2HB ASP 40 10.759 2.877 8.806 1117 2HB ASP 40 1HB ASP 40 9.008 2.686 8.914 1118 H LYS 41 H LYS 41 8.295 -0.673 10.014 1119 HA LYS 41 HA LYS 41 7.102 -1.448 7.456 1120 1HB LYS 41 2HB LYS 41 6.492 -1.966 10.381 1121 2HB LYS 41 1HB LYS 41 5.565 -2.684 9.065 1122 1HG LYS 41 2HG LYS 41 7.128 -4.279 8.793 1123 2HG LYS 41 1HG LYS 41 8.364 -3.051 8.528 1124 1HD LYS 41 2HD LYS 41 8.675 -2.821 10.960 1125 2HD LYS 41 1HD LYS 41 7.426 -4.035 11.239 1126 1HE LYS 41 2HE LYS 41 9.834 -4.656 9.519 1127 2HE LYS 41 1HE LYS 41 9.877 -4.862 11.282 1128 1HZ LYS 41 1HZ LYS 41 9.094 -6.891 10.294 1129 2HZ LYS 41 2HZ LYS 41 7.912 -6.060 9.400 1130 3HZ LYS 41 3HZ LYS 41 7.795 -6.149 11.093 1131 H VAL 42 H VAL 42 6.314 0.587 6.667 1132 HA VAL 42 HA VAL 42 4.678 2.434 8.093 1133 HB VAL 42 HB VAL 42 4.706 1.663 5.155 1134 1HG1 VAL 42 1HG1 VAL 42 3.387 3.465 4.721 1135 2HG1 VAL 42 2HG1 VAL 42 4.168 4.453 5.955 1136 3HG1 VAL 42 3HG1 VAL 42 2.904 3.312 6.409 1137 1HG2 VAL 42 1HG2 VAL 42 6.102 4.102 5.967 1138 2HG2 VAL 42 2HG2 VAL 42 6.682 2.755 4.987 1139 3HG2 VAL 42 3HG2 VAL 42 6.767 2.666 6.746 1140 H GLN 43 H GLN 43 2.599 2.227 8.836 1141 HA GLN 43 HA GLN 43 0.890 0.070 7.665 1142 1HB GLN 43 2HB GLN 43 1.258 -0.632 9.836 1143 2HB GLN 43 1HB GLN 43 1.581 1.001 10.413 1144 1HG GLN 43 2HG GLN 43 -0.629 1.452 10.813 1145 2HG GLN 43 1HG GLN 43 -1.191 0.398 9.515 1146 1HE2 GLN 43 1HE2 GLN 43 -2.722 -0.495 11.219 1147 2HE2 GLN 43 2HE2 GLN 43 -2.142 -1.677 12.291 1148 H LEU 44 H LEU 44 -0.317 1.352 6.201 1149 HA LEU 44 HA LEU 44 -1.289 4.005 6.837 1150 1HB LEU 44 2HB LEU 44 -1.616 1.941 4.715 1151 2HB LEU 44 1HB LEU 44 -2.819 3.225 4.784 1152 HG LEU 44 HG LEU 44 0.167 3.729 4.759 1153 1HD1 LEU 44 1HD1 LEU 44 -0.243 2.836 2.611 1154 2HD1 LEU 44 2HD1 LEU 44 -0.436 4.567 2.372 1155 3HD1 LEU 44 3HD1 LEU 44 -1.858 3.538 2.527 1156 1HD2 LEU 44 1HD2 LEU 44 -0.842 6.009 3.963 1157 2HD2 LEU 44 2HD2 LEU 44 -0.891 5.608 5.678 1158 3HD2 LEU 44 3HD2 LEU 44 -2.330 5.397 4.684 1159 H THR 45 H THR 45 -2.370 3.699 8.874 1160 HA THR 45 HA THR 45 -4.109 3.034 10.331 1161 HB THR 45 HB THR 45 -5.000 4.966 9.285 1162 HG1 THR 45 HG1 THR 45 -6.643 4.012 10.311 1163 1HG2 THR 45 1HG2 THR 45 -4.492 4.531 6.963 1164 2HG2 THR 45 2HG2 THR 45 -6.228 4.811 7.089 1165 3HG2 THR 45 3HG2 THR 45 -5.609 3.169 6.930 1166 H GLY 46 H GLY 46 -3.146 0.734 8.652 1167 1HA GLY 46 2HA GLY 46 -3.878 -1.531 8.876 1168 2HA GLY 46 1HA GLY 46 -5.516 -0.952 9.137 1169 H PHE 47 H PHE 47 -5.305 0.777 6.581 1170 HA PHE 47 HA PHE 47 -6.175 -1.407 4.838 1171 1HB PHE 47 2HB PHE 47 -7.257 0.227 3.624 1172 2HB PHE 47 1HB PHE 47 -7.163 0.991 5.199 1173 HD1 PHE 47 HD1 PHE 47 -6.313 3.130 5.357 1174 HD2 PHE 47 HD2 PHE 47 -5.234 0.709 1.995 1175 HE1 PHE 47 HE1 PHE 47 -5.113 5.050 4.372 1176 HE2 PHE 47 HE2 PHE 47 -4.033 2.625 1.008 1177 HZ PHE 47 HZ PHE 47 -3.960 4.790 2.202 1178 H LEU 48 H LEU 48 -3.282 0.603 5.050 1179 HA LEU 48 HA LEU 48 -2.191 -1.116 2.865 1180 1HB LEU 48 2HB LEU 48 -2.455 1.807 3.011 1181 2HB LEU 48 1HB LEU 48 -0.856 1.246 2.529 1182 HG LEU 48 HG LEU 48 -3.501 0.767 1.169 1183 1HD1 LEU 48 1HD1 LEU 48 -2.399 1.705 -0.723 1184 2HD1 LEU 48 2HD1 LEU 48 -0.818 1.566 0.048 1185 3HD1 LEU 48 3HD1 LEU 48 -1.993 2.737 0.649 1186 1HD2 LEU 48 1HD2 LEU 48 -1.091 -0.976 1.222 1187 2HD2 LEU 48 2HD2 LEU 48 -1.801 -0.659 -0.360 1188 3HD2 LEU 48 3HD2 LEU 48 -2.775 -1.397 0.910 1189 H ASN 49 H ASN 49 -1.024 -2.412 4.331 1190 HA ASN 49 HA ASN 49 0.887 -1.044 6.168 1191 1HB ASN 49 2HB ASN 49 -0.798 -2.802 6.904 1192 2HB ASN 49 1HB ASN 49 0.138 -3.971 5.972 1193 1HD2 ASN 49 1HD2 ASN 49 -0.092 -2.445 9.028 1194 2HD2 ASN 49 2HD2 ASN 49 1.426 -2.905 9.632 1195 H ILE 50 H ILE 50 2.518 -0.511 4.576 1196 HA ILE 50 HA ILE 50 3.699 -2.513 2.816 1197 HB ILE 50 HB ILE 50 4.575 0.205 3.847 1198 1HG1 ILE 50 2HG1 ILE 50 2.501 -0.427 2.158 1199 2HG1 ILE 50 1HG1 ILE 50 3.353 1.112 2.159 1200 1HG2 ILE 50 1HG2 ILE 50 5.792 -1.609 1.757 1201 2HG2 ILE 50 2HG2 ILE 50 6.580 -0.877 3.156 1202 3HG2 ILE 50 3HG2 ILE 50 6.095 0.129 1.790 1203 1HD1 ILE 50 1HD1 ILE 50 4.707 0.499 0.319 1204 2HD1 ILE 50 2HD1 ILE 50 3.111 -0.116 -0.105 1205 3HD1 ILE 50 3HD1 ILE 50 4.343 -1.215 0.510 1206 H LYS 51 H LYS 51 5.569 -3.803 3.234 1207 HA LYS 51 HA LYS 51 7.076 -3.309 5.748 1208 1HB LYS 51 2HB LYS 51 6.643 -5.775 6.362 1209 2HB LYS 51 1HB LYS 51 5.304 -4.653 6.593 1210 1HG LYS 51 2HG LYS 51 4.213 -5.390 4.600 1211 2HG LYS 51 1HG LYS 51 5.646 -6.257 4.051 1212 1HD LYS 51 2HD LYS 51 4.454 -7.006 6.693 1213 2HD LYS 51 1HD LYS 51 3.653 -7.557 5.220 1214 1HE LYS 51 2HE LYS 51 5.643 -8.703 4.471 1215 2HE LYS 51 1HE LYS 51 6.612 -7.976 5.768 1216 1HZ LYS 51 1HZ LYS 51 4.192 -9.615 6.273 1217 2HZ LYS 51 2HZ LYS 51 5.345 -9.093 7.406 1218 3HZ LYS 51 3HZ LYS 51 5.756 -10.269 6.252 1219 HA PRO 52 HA PRO 52 9.977 -4.833 2.670 1220 1HB PRO 52 2HB PRO 52 12.234 -3.996 3.941 1221 2HB PRO 52 1HB PRO 52 11.201 -2.905 2.996 1222 1HG PRO 52 2HG PRO 52 11.406 -3.248 5.930 1223 2HG PRO 52 1HG PRO 52 11.099 -1.789 4.979 1224 1HD PRO 52 2HD PRO 52 9.167 -3.232 6.328 1225 2HD PRO 52 1HD PRO 52 8.850 -2.127 4.974 1226 H VAL 53 H VAL 53 11.145 -6.710 2.566 1227 HA VAL 53 HA VAL 53 11.986 -8.053 5.076 1228 HB VAL 53 HB VAL 53 10.848 -10.112 4.329 1229 1HG1 VAL 53 1HG1 VAL 53 8.705 -9.454 5.059 1230 2HG1 VAL 53 2HG1 VAL 53 8.806 -7.894 4.242 1231 3HG1 VAL 53 3HG1 VAL 53 9.741 -8.182 5.709 1232 1HG2 VAL 53 1HG2 VAL 53 8.998 -9.272 2.451 1233 2HG2 VAL 53 2HG2 VAL 53 10.454 -10.198 2.085 1234 3HG2 VAL 53 3HG2 VAL 53 10.464 -8.444 1.936 1235 H ALA 54 H ALA 54 14.086 -8.485 4.765 1236 HA ALA 54 HA ALA 54 15.648 -8.319 2.513 1237 1HB ALA 54 1HB ALA 54 17.252 -9.177 3.867 1238 2HB ALA 54 2HB ALA 54 16.304 -10.616 4.240 1239 3HB ALA 54 3HB ALA 54 15.987 -9.105 5.094 1240 H ARG 55 H ARG 55 16.177 -9.543 0.760 1241 HA ARG 55 HA ARG 55 15.500 -12.360 0.463 1242 1HB ARG 55 2HB ARG 55 13.601 -10.258 -0.227 1243 2HB ARG 55 1HB ARG 55 14.028 -11.213 -1.647 1244 1HG ARG 55 2HG ARG 55 13.700 -13.191 0.197 1245 2HG ARG 55 1HG ARG 55 12.528 -12.008 0.779 1246 1HD ARG 55 2HD ARG 55 12.581 -12.574 -2.163 1247 2HD ARG 55 1HD ARG 55 11.839 -13.778 -1.090 1248 HE ARG 55 HE ARG 55 11.053 -10.889 -0.986 1249 1HH1 ARG 55 1HH2 ARG 55 9.925 -12.708 1.074 1250 2HH1 ARG 55 2HH2 ARG 55 8.422 -13.197 0.363 1251 1HH2 ARG 55 1HH1 ARG 55 9.301 -12.188 -2.835 1252 2HH2 ARG 55 2HH1 ARG 55 8.069 -12.901 -1.850 1253 H GLN 56 H GLN 56 17.832 -12.190 -0.054 1254 HA GLN 56 HA GLN 56 18.982 -10.563 -2.051 1255 1HB GLN 56 2HB GLN 56 19.657 -13.415 -1.288 1256 2HB GLN 56 1HB GLN 56 20.751 -12.262 -2.049 1257 1HG GLN 56 2HG GLN 56 20.182 -10.742 -0.002 1258 2HG GLN 56 1HG GLN 56 19.651 -12.246 0.752 1259 1HE2 GLN 56 1HE2 GLN 56 22.500 -10.781 -0.886 1260 2HE2 GLN 56 2HE2 GLN 56 23.646 -11.730 -0.069 1261 H ALA 57 H ALA 57 20.128 -12.010 -3.997 1262 HA ALA 57 HA ALA 57 17.942 -12.460 -5.880 1263 1HB ALA 57 1HB ALA 57 20.949 -12.773 -6.106 1264 2HB ALA 57 2HB ALA 57 20.052 -11.287 -6.413 1265 3HB ALA 57 3HB ALA 57 19.820 -12.687 -7.457 1266 H ARG 58 H ARG 58 17.923 -14.462 -7.260 1267 HA ARG 58 HA ARG 58 18.857 -16.922 -5.827 1268 1HB ARG 58 2HB ARG 58 16.108 -16.114 -6.756 1269 2HB ARG 58 1HB ARG 58 16.527 -17.803 -6.495 1270 1HG ARG 58 2HG ARG 58 16.886 -17.489 -4.193 1271 2HG ARG 58 1HG ARG 58 17.057 -15.744 -4.365 1272 1HD ARG 58 2HD ARG 58 14.786 -15.389 -4.349 1273 2HD ARG 58 1HD ARG 58 14.443 -16.906 -5.202 1274 HE ARG 58 HE ARG 58 14.316 -17.979 -3.102 1275 1HH1 ARG 58 1HH2 ARG 58 14.523 -14.776 -2.419 1276 2HH1 ARG 58 2HH2 ARG 58 15.374 -14.931 -0.919 1277 1HH2 ARG 58 1HH1 ARG 58 16.081 -18.296 -1.363 1278 2HH2 ARG 58 2HH1 ARG 58 16.256 -16.925 -0.321 1279 H LYS 59 H LYS 59 19.397 -15.314 -8.466 1280 HA LYS 59 HA LYS 59 18.556 -16.837 -10.710 1281 1HB LYS 59 2HB LYS 59 20.504 -15.735 -11.797 1282 2HB LYS 59 1HB LYS 59 19.587 -14.606 -10.802 1283 1HG LYS 59 2HG LYS 59 21.325 -15.467 -8.942 1284 2HG LYS 59 1HG LYS 59 22.318 -15.721 -10.377 1285 1HD LYS 59 2HD LYS 59 20.878 -13.118 -9.825 1286 2HD LYS 59 1HD LYS 59 22.532 -13.425 -9.298 1287 1HE LYS 59 2HE LYS 59 22.659 -14.196 -11.933 1288 2HE LYS 59 1HE LYS 59 21.516 -12.841 -12.005 1289 1HZ LYS 59 1HZ LYS 59 23.048 -11.526 -10.669 1290 2HZ LYS 59 2HZ LYS 59 23.799 -12.042 -12.104 1291 3HZ LYS 59 3HZ LYS 59 24.152 -12.813 -10.631 1292 H GLY 60 H GLY 60 18.762 -19.057 -9.728 1293 1HA GLY 60 2HA GLY 60 21.379 -20.228 -10.454 1294 2HA GLY 60 1HA GLY 60 20.817 -20.499 -8.802 1295 H PHE 61 H PHE 61 19.097 -21.944 -8.442 1296 HA PHE 61 HA PHE 61 17.312 -22.949 -10.420 1297 1HB PHE 61 2HB PHE 61 18.554 -25.237 -10.661 1298 2HB PHE 61 1HB PHE 61 19.150 -23.872 -11.609 1299 HD1 PHE 61 HD1 PHE 61 19.598 -25.529 -8.270 1300 HD2 PHE 61 HD2 PHE 61 21.377 -23.220 -11.416 1301 HE1 PHE 61 HE1 PHE 61 21.790 -25.685 -7.160 1302 HE2 PHE 61 HE2 PHE 61 23.572 -23.377 -10.299 1303 HZ PHE 61 HZ PHE 61 23.788 -24.610 -8.162 1304 H ASN 62 H ASN 62 16.610 -25.390 -9.657 1305 HA ASN 62 HA ASN 62 16.366 -25.203 -6.683 1306 1HB ASN 62 2HB ASN 62 14.232 -25.005 -7.486 1307 2HB ASN 62 1HB ASN 62 14.581 -25.927 -8.945 1308 1HD2 ASN 62 1HD2 ASN 62 14.905 -26.773 -5.448 1309 2HD2 ASN 62 2HD2 ASN 62 13.955 -28.176 -5.549 1310 HA PRO 63 HA PRO 63 16.811 -29.922 -7.367 1311 1HB PRO 63 2HB PRO 63 17.373 -30.831 -9.894 1312 2HB PRO 63 1HB PRO 63 15.721 -30.647 -9.270 1313 1HG PRO 63 2HG PRO 63 17.285 -28.830 -11.043 1314 2HG PRO 63 1HG PRO 63 15.578 -29.296 -11.129 1315 1HD PRO 63 2HD PRO 63 16.385 -26.926 -10.121 1316 2HD PRO 63 1HD PRO 63 14.942 -27.770 -9.523 1317 H GLN 64 H GLN 64 18.739 -28.467 -6.519 1318 HA GLN 64 HA GLN 64 21.207 -29.770 -7.114 1319 1HB GLN 64 2HB GLN 64 20.388 -27.501 -8.782 1320 2HB GLN 64 1HB GLN 64 21.978 -27.292 -8.050 1321 1HG GLN 64 2HG GLN 64 21.974 -29.948 -8.919 1322 2HG GLN 64 1HG GLN 64 21.180 -29.058 -10.218 1323 1HE2 GLN 64 1HE2 GLN 64 23.009 -29.162 -11.676 1324 2HE2 GLN 64 2HE2 GLN 64 24.453 -28.323 -11.371 1325 H THR 65 H THR 65 19.650 -28.936 -4.840 1326 HA THR 65 HA THR 65 19.909 -27.917 -2.733 1327 HB THR 65 HB THR 65 22.115 -28.028 -1.906 1328 HG1 THR 65 HG1 THR 65 23.202 -27.784 -4.491 1329 1HG2 THR 65 1HG2 THR 65 21.203 -30.103 -3.360 1330 2HG2 THR 65 2HG2 THR 65 22.758 -30.135 -2.530 1331 3HG2 THR 65 3HG2 THR 65 22.685 -29.762 -4.252 1332 H GLN 66 H GLN 66 18.933 -26.110 -4.542 1333 HA GLN 66 HA GLN 66 20.218 -23.598 -3.657 1334 1HB GLN 66 2HB GLN 66 20.711 -24.821 -6.124 1335 2HB GLN 66 1HB GLN 66 19.674 -23.456 -6.485 1336 1HG GLN 66 2HG GLN 66 21.452 -22.095 -6.281 1337 2HG GLN 66 1HG GLN 66 21.533 -22.520 -4.575 1338 1HE2 GLN 66 1HE2 GLN 66 22.213 -25.417 -5.225 1339 2HE2 GLN 66 2HE2 GLN 66 23.828 -25.385 -5.736 1340 H GLU 67 H GLU 67 18.325 -22.817 -6.254 1341 HA GLU 67 HA GLU 67 15.639 -23.192 -5.313 1342 1HB GLU 67 2HB GLU 67 17.271 -21.131 -4.085 1343 2HB GLU 67 1HB GLU 67 15.916 -20.395 -4.943 1344 1HG GLU 67 2HG GLU 67 14.521 -22.298 -3.777 1345 2HG GLU 67 1HG GLU 67 15.876 -22.330 -2.649 1346 H ALA 68 H ALA 68 15.324 -23.557 -7.577 1347 HA ALA 68 HA ALA 68 16.232 -21.803 -9.649 1348 1HB ALA 68 1HB ALA 68 14.264 -24.032 -9.341 1349 2HB ALA 68 2HB ALA 68 15.675 -23.930 -10.391 1350 3HB ALA 68 3HB ALA 68 14.198 -23.069 -10.814 1351 H LEU 69 H LEU 69 15.711 -19.725 -9.097 1352 HA LEU 69 HA LEU 69 12.839 -18.977 -9.503 1353 1HB LEU 69 2HB LEU 69 14.540 -17.779 -7.302 1354 2HB LEU 69 1HB LEU 69 12.790 -17.702 -7.484 1355 HG LEU 69 HG LEU 69 14.309 -20.276 -6.987 1356 1HD1 LEU 69 1HD1 LEU 69 13.360 -20.086 -4.671 1357 2HD1 LEU 69 2HD1 LEU 69 12.913 -18.424 -5.054 1358 3HD1 LEU 69 3HD1 LEU 69 14.611 -18.899 -5.040 1359 1HD2 LEU 69 1HD2 LEU 69 12.282 -21.330 -6.988 1360 2HD2 LEU 69 2HD2 LEU 69 11.817 -19.968 -8.008 1361 3HD2 LEU 69 3HD2 LEU 69 11.451 -19.943 -6.283 1362 H GLU 70 H GLU 70 13.325 -16.188 -8.885 1363 HA GLU 70 HA GLU 70 15.596 -15.242 -10.469 1364 1HB GLU 70 2HB GLU 70 13.807 -16.222 -12.056 1365 2HB GLU 70 1HB GLU 70 12.836 -14.816 -11.620 1366 1HG GLU 70 2HG GLU 70 13.928 -13.802 -13.338 1367 2HG GLU 70 1HG GLU 70 15.248 -13.644 -12.178 1368 H ILE 71 H ILE 71 14.088 -14.721 -7.851 1369 HA ILE 71 HA ILE 71 12.781 -12.176 -7.979 1370 HB ILE 71 HB ILE 71 12.756 -12.339 -5.661 1371 1HG1 ILE 71 2HG1 ILE 71 15.065 -11.983 -5.139 1372 2HG1 ILE 71 1HG1 ILE 71 14.580 -13.466 -4.329 1373 1HG2 ILE 71 1HG2 ILE 71 13.625 -15.168 -5.996 1374 2HG2 ILE 71 2HG2 ILE 71 12.212 -14.602 -6.887 1375 3HG2 ILE 71 3HG2 ILE 71 12.237 -14.513 -5.126 1376 1HD1 ILE 71 1HD1 ILE 71 16.399 -13.087 -6.655 1377 2HD1 ILE 71 2HD1 ILE 71 15.398 -14.533 -6.632 1378 3HD1 ILE 71 3HD1 ILE 71 16.506 -14.213 -5.307 1379 H ALA 72 H ALA 72 14.264 -10.575 -6.154 1380 HA ALA 72 HA ALA 72 16.689 -9.937 -7.777 1381 1HB ALA 72 1HB ALA 72 14.822 -8.467 -8.288 1382 2HB ALA 72 2HB ALA 72 16.026 -7.560 -7.370 1383 3HB ALA 72 3HB ALA 72 14.566 -8.147 -6.573 1384 HA PRO 73 HA PRO 73 18.854 -9.969 -3.918 1385 1HB PRO 73 2HB PRO 73 20.952 -8.354 -4.630 1386 2HB PRO 73 1HB PRO 73 20.802 -10.040 -5.161 1387 1HG PRO 73 2HG PRO 73 20.134 -7.529 -6.627 1388 2HG PRO 73 1HG PRO 73 20.925 -9.002 -7.216 1389 1HD PRO 73 2HD PRO 73 18.314 -8.474 -7.693 1390 2HD PRO 73 1HD PRO 73 18.927 -10.129 -7.486 1391 H SER 74 H SER 74 17.123 -8.709 -2.864 1392 HA SER 74 HA SER 74 18.034 -6.230 -1.704 1393 1HB SER 74 2HB SER 74 17.540 -5.212 -3.798 1394 2HB SER 74 1HB SER 74 16.084 -6.179 -4.015 1395 HG SER 74 HG SER 74 15.027 -4.924 -2.618 1396 H VAL 75 H VAL 75 16.244 -5.305 -0.247 1397 HA VAL 75 HA VAL 75 14.931 -7.351 1.208 1398 HB VAL 75 HB VAL 75 15.397 -4.651 1.490 1399 1HG1 VAL 75 1HG1 VAL 75 12.387 -4.937 1.465 1400 2HG1 VAL 75 2HG1 VAL 75 13.277 -4.288 0.088 1401 3HG1 VAL 75 3HG1 VAL 75 13.337 -3.463 1.645 1402 1HG2 VAL 75 1HG2 VAL 75 14.985 -6.585 3.180 1403 2HG2 VAL 75 2HG2 VAL 75 13.308 -6.040 3.157 1404 3HG2 VAL 75 3HG2 VAL 75 14.586 -4.942 3.678 1405 H GLY 76 H GLY 76 12.432 -7.368 1.482 1406 1HA GLY 76 2HA GLY 76 11.222 -7.412 -1.255 1407 2HA GLY 76 1HA GLY 76 10.783 -8.544 0.026 1408 H VAL 77 H VAL 77 10.772 -5.094 -0.775 1409 HA VAL 77 HA VAL 77 9.197 -4.072 1.306 1410 HB VAL 77 HB VAL 77 10.269 -2.674 -0.349 1411 1HG1 VAL 77 1HG1 VAL 77 10.411 -3.612 -2.412 1412 2HG1 VAL 77 2HG1 VAL 77 8.864 -2.822 -2.708 1413 3HG1 VAL 77 3HG1 VAL 77 8.908 -4.512 -2.209 1414 1HG2 VAL 77 1HG2 VAL 77 7.929 -1.679 -1.409 1415 2HG2 VAL 77 2HG2 VAL 77 8.565 -1.272 0.181 1416 3HG2 VAL 77 3HG2 VAL 77 7.349 -2.535 0.016 1417 H SER 78 H SER 78 7.725 -5.852 1.791 1418 HA SER 78 HA SER 78 5.614 -6.522 -0.130 1419 1HB SER 78 2HB SER 78 6.624 -7.364 2.484 1420 2HB SER 78 1HB SER 78 4.864 -7.371 2.419 1421 HG SER 78 HG SER 78 6.696 -8.972 1.153 1422 H VAL 79 H VAL 79 3.293 -6.383 0.879 1423 HA VAL 79 HA VAL 79 2.496 -4.286 2.637 1424 HB VAL 79 HB VAL 79 3.542 -2.866 0.904 1425 1HG1 VAL 79 1HG1 VAL 79 1.677 -4.372 -0.944 1426 2HG1 VAL 79 2HG1 VAL 79 3.438 -4.313 -1.014 1427 3HG1 VAL 79 3HG1 VAL 79 2.492 -2.876 -1.401 1428 1HG2 VAL 79 1HG2 VAL 79 1.746 -1.359 0.558 1429 2HG2 VAL 79 2HG2 VAL 79 1.309 -2.232 2.026 1430 3HG2 VAL 79 3HG2 VAL 79 0.560 -2.661 0.487 1431 H LYS 80 H LYS 80 0.007 -3.731 2.042 1432 HA LYS 80 HA LYS 80 -1.363 -5.573 0.305 1433 1HB LYS 80 2HB LYS 80 -2.383 -6.930 2.135 1434 2HB LYS 80 1HB LYS 80 -0.633 -7.122 2.070 1435 1HG LYS 80 2HG LYS 80 -0.292 -5.755 3.967 1436 2HG LYS 80 1HG LYS 80 -1.903 -5.049 3.856 1437 1HD LYS 80 2HD LYS 80 -2.427 -6.568 5.469 1438 2HD LYS 80 1HD LYS 80 -2.520 -7.696 4.118 1439 1HE LYS 80 2HE LYS 80 0.093 -7.919 4.532 1440 2HE LYS 80 1HE LYS 80 -0.348 -7.371 6.162 1441 1HZ LYS 80 1HZ LYS 80 -0.572 -9.749 6.063 1442 2HZ LYS 80 2HZ LYS 80 -1.542 -9.650 4.672 1443 3HZ LYS 80 3HZ LYS 80 -2.121 -9.066 6.158 1444 HA PRO 81 HA PRO 81 -4.662 -2.815 1.447 1445 1HB PRO 81 2HB PRO 81 -6.734 -4.251 0.414 1446 2HB PRO 81 1HB PRO 81 -5.495 -3.497 -0.607 1447 1HG PRO 81 2HG PRO 81 -5.957 -6.317 -0.063 1448 2HG PRO 81 1HG PRO 81 -4.949 -5.566 -1.304 1449 1HD PRO 81 2HD PRO 81 -4.150 -6.681 1.265 1450 2HD PRO 81 1HD PRO 81 -3.137 -6.172 -0.103 1451 H GLY 82 H GLY 82 -5.744 -2.506 3.388 1452 1HA GLY 82 2HA GLY 82 -6.382 -4.810 5.099 1453 2HA GLY 82 1HA GLY 82 -6.623 -3.112 5.520 1454 H GLU 83 H GLU 83 -8.828 -3.642 6.214 1455 HA GLU 83 HA GLU 83 -10.682 -4.508 4.061 1456 1HB GLU 83 2HB GLU 83 -12.309 -4.546 5.941 1457 2HB GLU 83 1HB GLU 83 -10.877 -5.521 6.265 1458 1HG GLU 83 2HG GLU 83 -10.413 -2.807 7.134 1459 2HG GLU 83 1HG GLU 83 -11.909 -3.407 7.846 1460 H SER 84 H SER 84 -9.522 -1.614 5.527 1461 HA SER 84 HA SER 84 -11.756 0.124 5.386 1462 1HB SER 84 2HB SER 84 -9.157 0.341 6.057 1463 2HB SER 84 1HB SER 84 -9.073 1.055 4.450 1464 HG SER 84 HG SER 84 -10.833 2.426 5.131 1465 H LEU 85 H LEU 85 -9.548 -1.027 2.865 1466 HA LEU 85 HA LEU 85 -10.791 0.614 0.766 1467 1HB LEU 85 2HB LEU 85 -9.029 -1.785 0.298 1468 2HB LEU 85 1HB LEU 85 -9.096 -0.276 -0.600 1469 HG LEU 85 HG LEU 85 -8.348 0.370 2.070 1470 1HD1 LEU 85 1HD1 LEU 85 -7.341 -1.560 2.724 1471 2HD1 LEU 85 2HD1 LEU 85 -6.048 -1.042 1.642 1472 3HD1 LEU 85 3HD1 LEU 85 -7.263 -2.190 1.078 1473 1HD2 LEU 85 1HD2 LEU 85 -7.053 1.750 0.846 1474 2HD2 LEU 85 2HD2 LEU 85 -7.575 0.907 -0.611 1475 3HD2 LEU 85 3HD2 LEU 85 -6.123 0.381 0.239 1476 H LYS 86 H LYS 86 -10.973 -2.685 2.009 1477 HA LYS 86 HA LYS 86 -12.556 -3.733 -0.175 1478 1HB LYS 86 2HB LYS 86 -11.288 -4.626 2.232 1479 2HB LYS 86 1HB LYS 86 -12.965 -5.172 2.262 1480 1HG LYS 86 2HG LYS 86 -12.540 -5.932 -0.183 1481 2HG LYS 86 1HG LYS 86 -10.829 -5.774 0.220 1482 1HD LYS 86 2HD LYS 86 -11.107 -7.324 2.103 1483 2HD LYS 86 1HD LYS 86 -12.832 -7.456 1.757 1484 1HE LYS 86 2HE LYS 86 -12.137 -9.297 0.553 1485 2HE LYS 86 1HE LYS 86 -11.801 -8.077 -0.691 1486 1HZ LYS 86 1HZ LYS 86 -9.843 -9.459 -0.199 1487 2HZ LYS 86 2HZ LYS 86 -9.885 -8.931 1.416 1488 3HZ LYS 86 3HZ LYS 86 -9.577 -7.824 0.165 1489 H LYS 87 H LYS 87 -13.284 -2.322 2.969 1490 HA LYS 87 HA LYS 87 -16.131 -2.822 2.819 1491 1HB LYS 87 2HB LYS 87 -14.986 -2.383 4.943 1492 2HB LYS 87 1HB LYS 87 -14.407 -0.829 4.342 1493 1HG LYS 87 2HG LYS 87 -16.284 -0.278 5.682 1494 2HG LYS 87 1HG LYS 87 -16.899 -0.229 4.029 1495 1HD LYS 87 2HD LYS 87 -17.994 -2.310 4.247 1496 2HD LYS 87 1HD LYS 87 -17.056 -2.752 5.674 1497 1HE LYS 87 2HE LYS 87 -18.340 -1.438 7.094 1498 2HE LYS 87 1HE LYS 87 -18.769 -0.291 5.809 1499 1HZ LYS 87 1HZ LYS 87 -20.588 -1.869 6.451 1500 2HZ LYS 87 2HZ LYS 87 -19.639 -3.129 5.819 1501 3HZ LYS 87 3HZ LYS 87 -20.187 -1.882 4.804 1502 H ALA 88 H ALA 88 -13.895 -0.269 1.894 1503 HA ALA 88 HA ALA 88 -15.893 1.597 0.938 1504 1HB ALA 88 1HB ALA 88 -13.963 2.731 0.062 1505 2HB ALA 88 2HB ALA 88 -13.035 1.232 -0.006 1506 3HB ALA 88 3HB ALA 88 -13.418 1.962 1.553 1507 H ALA 89 H ALA 89 -14.100 -1.156 -0.346 1508 HA ALA 89 HA ALA 89 -14.748 -0.877 -3.110 1509 1HB ALA 89 1HB ALA 89 -14.505 -3.498 -2.902 1510 2HB ALA 89 2HB ALA 89 -14.034 -3.121 -1.248 1511 3HB ALA 89 3HB ALA 89 -13.106 -2.468 -2.594 1512 H GLU 90 H GLU 90 -16.447 -2.533 -0.457 1513 HA GLU 90 HA GLU 90 -18.643 -3.582 -1.918 1514 1HB GLU 90 2HB GLU 90 -18.373 -2.372 0.857 1515 2HB GLU 90 1HB GLU 90 -19.832 -3.202 0.316 1516 1HG GLU 90 2HG GLU 90 -18.390 -5.202 -0.227 1517 2HG GLU 90 1HG GLU 90 -17.048 -4.371 0.560 1518 H GLY 91 H GLY 91 -17.819 -0.347 -0.829 1519 1HA GLY 91 2HA GLY 91 -20.350 0.905 -1.434 1520 2HA GLY 91 1HA GLY 91 -18.810 1.742 -1.243 1521 H LEU 92 H LEU 92 -17.449 0.175 -3.403 1522 HA LEU 92 HA LEU 92 -18.232 1.843 -5.646 1523 1HB LEU 92 2HB LEU 92 -16.258 1.021 -6.552 1524 2HB LEU 92 1HB LEU 92 -15.974 0.693 -4.848 1525 HG LEU 92 HG LEU 92 -17.256 -1.594 -5.551 1526 1HD1 LEU 92 1HD1 LEU 92 -15.609 -1.856 -7.817 1527 2HD1 LEU 92 2HD1 LEU 92 -16.443 -0.316 -8.028 1528 3HD1 LEU 92 3HD1 LEU 92 -17.371 -1.796 -7.794 1529 1HD2 LEU 92 1HD2 LEU 92 -14.529 -0.720 -5.083 1530 2HD2 LEU 92 2HD2 LEU 92 -14.561 -2.069 -6.217 1531 3HD2 LEU 92 3HD2 LEU 92 -15.303 -2.238 -4.627 1532 H LYS 93 H LYS 93 -19.955 -0.676 -4.470 1533 HA LYS 93 HA LYS 93 -21.530 -2.147 -5.452 1534 1HB LYS 93 2HB LYS 93 -21.283 0.156 -7.106 1535 2HB LYS 93 1HB LYS 93 -21.281 -1.232 -8.193 1536 1HG LYS 93 2HG LYS 93 -23.573 -0.724 -7.933 1537 2HG LYS 93 1HG LYS 93 -23.309 -2.063 -6.818 1538 1HD LYS 93 2HD LYS 93 -23.934 -0.786 -5.075 1539 2HD LYS 93 1HD LYS 93 -22.703 0.412 -5.477 1540 1HE LYS 93 2HE LYS 93 -24.183 1.713 -6.727 1541 2HE LYS 93 1HE LYS 93 -25.242 0.334 -7.090 1542 1HZ LYS 93 1HZ LYS 93 -25.887 0.226 -4.786 1543 2HZ LYS 93 2HZ LYS 93 -26.177 1.797 -5.364 1544 3HZ LYS 93 3HZ LYS 93 -24.827 1.486 -4.381 1545 H TYR 94 H TYR 94 -18.781 -2.792 -5.199 1546 HA TYR 94 HA TYR 94 -17.344 -3.801 -7.324 1547 1HB TYR 94 2HB TYR 94 -16.155 -4.732 -5.644 1548 2HB TYR 94 1HB TYR 94 -17.300 -3.922 -4.583 1549 HD1 TYR 94 HD1 TYR 94 -16.338 -7.078 -6.154 1550 HD2 TYR 94 HD2 TYR 94 -19.075 -5.162 -3.470 1551 HE1 TYR 94 HE1 TYR 94 -17.112 -9.307 -5.383 1552 HE2 TYR 94 HE2 TYR 94 -19.859 -7.392 -2.687 1553 HH TYR 94 HH TYR 94 -19.444 -10.149 -4.269 1554 H GLU 95 H GLU 95 -20.192 -5.299 -5.809 1555 HA GLU 95 HA GLU 95 -20.123 -7.812 -7.133 1556 1HB GLU 95 2HB GLU 95 -22.578 -7.785 -6.689 1557 2HB GLU 95 1HB GLU 95 -21.638 -7.271 -5.290 1558 1HG GLU 95 2HG GLU 95 -23.188 -5.566 -5.318 1559 2HG GLU 95 1HG GLU 95 -22.003 -4.866 -6.418 1560 H ASP 96 H ASP 96 -21.348 -4.655 -8.186 1561 HA ASP 96 HA ASP 96 -22.520 -5.511 -10.670 1562 1HB ASP 96 2HB ASP 96 -21.995 -3.108 -9.215 1563 2HB ASP 96 1HB ASP 96 -21.310 -2.893 -10.825 1564 H PHE 97 H PHE 97 -19.281 -4.656 -9.609 1565 HA PHE 97 HA PHE 97 -18.000 -4.692 -12.212 1566 1HB PHE 97 2HB PHE 97 -17.396 -4.132 -9.503 1567 2HB PHE 97 1HB PHE 97 -16.317 -5.446 -9.963 1568 HD1 PHE 97 HD1 PHE 97 -17.533 -2.088 -11.067 1569 HD2 PHE 97 HD2 PHE 97 -14.409 -5.027 -11.267 1570 HE1 PHE 97 HE1 PHE 97 -16.098 -0.479 -12.292 1571 HE2 PHE 97 HE2 PHE 97 -12.973 -3.420 -12.494 1572 HZ PHE 97 HZ PHE 97 -13.819 -1.145 -13.008 1573 H ALA 98 H ALA 98 -18.902 -7.092 -9.820 1574 HA ALA 98 HA ALA 98 -17.232 -9.254 -10.783 1575 1HB ALA 98 1HB ALA 98 -18.564 -10.547 -9.226 1576 2HB ALA 98 2HB ALA 98 -19.860 -9.351 -9.268 1577 3HB ALA 98 3HB ALA 98 -18.319 -8.956 -8.507 1578 H LYS 99 H LYS 99 -20.441 -8.041 -11.591 1579 HA LYS 99 HA LYS 99 -21.342 -10.340 -13.088 1580 1HB LYS 99 2HB LYS 99 -22.055 -7.389 -13.190 1581 2HB LYS 99 1HB LYS 99 -23.004 -8.676 -13.935 1582 1HG LYS 99 2HG LYS 99 -22.808 -9.689 -11.451 1583 2HG LYS 99 1HG LYS 99 -22.696 -7.973 -11.060 1584 1HD LYS 99 2HD LYS 99 -24.751 -7.914 -12.828 1585 2HD LYS 99 1HD LYS 99 -24.988 -9.519 -12.136 1586 1HE LYS 99 2HE LYS 99 -24.727 -8.355 -9.832 1587 2HE LYS 99 1HE LYS 99 -25.016 -6.848 -10.724 1588 1HZ LYS 99 1HZ LYS 99 -26.974 -7.982 -11.742 1589 2HZ LYS 99 2HZ LYS 99 -27.128 -7.690 -10.076 1590 3HZ LYS 99 3HZ LYS 99 -26.758 -9.250 -10.638 Start of MODEL 17 1 1H MET 1 1H MET 1 5.302 3.200 8.832 2 2H MET 1 2H MET 1 4.937 3.019 10.480 3 3H MET 1 3H MET 1 6.322 3.880 10.004 4 HA MET 1 HA MET 1 4.822 5.564 10.544 5 1HB MET 1 2HB MET 1 5.497 4.906 7.805 6 2HB MET 1 1HB MET 1 3.990 5.823 7.856 7 1HG MET 1 2HG MET 1 5.000 7.705 8.698 8 2HG MET 1 1HG MET 1 6.200 6.785 9.603 9 1HE MET 1 1HE MET 1 6.218 7.132 5.035 10 2HE MET 1 2HE MET 1 5.115 8.082 6.025 11 3HE MET 1 3HE MET 1 5.023 6.324 6.058 12 H ASN 2 H ASN 2 2.538 6.455 9.260 13 HA ASN 2 HA ASN 2 0.470 4.496 8.946 14 1HB ASN 2 2HB ASN 2 1.307 4.589 11.504 15 2HB ASN 2 1HB ASN 2 0.123 5.895 11.548 16 1HD2 ASN 2 1HD2 ASN 2 0.371 2.631 12.096 17 2HD2 ASN 2 2HD2 ASN 2 -1.223 2.164 11.751 18 H LYS 3 H LYS 3 -1.796 5.659 9.450 19 HA LYS 3 HA LYS 3 -2.200 7.781 7.689 20 1HB LYS 3 2HB LYS 3 -3.603 6.399 9.787 21 2HB LYS 3 1HB LYS 3 -3.947 8.121 9.931 22 1HG LYS 3 2HG LYS 3 -4.276 7.928 7.296 23 2HG LYS 3 1HG LYS 3 -4.589 6.240 7.690 24 1HD LYS 3 2HD LYS 3 -6.336 6.899 9.278 25 2HD LYS 3 1HD LYS 3 -5.996 8.599 8.979 26 1HE LYS 3 2HE LYS 3 -6.606 8.220 6.543 27 2HE LYS 3 1HE LYS 3 -7.144 6.591 7.002 28 1HZ LYS 3 1HZ LYS 3 -8.046 9.040 8.408 29 2HZ LYS 3 2HZ LYS 3 -8.685 7.472 8.535 30 3HZ LYS 3 3HZ LYS 3 -8.899 8.366 7.106 31 H THR 4 H THR 4 -0.853 7.889 10.923 32 HA THR 4 HA THR 4 -0.957 10.877 10.955 33 HB THR 4 HB THR 4 -0.409 8.703 12.986 34 HG1 THR 4 HG1 THR 4 -2.217 9.720 13.965 35 1HG2 THR 4 1HG2 THR 4 1.046 10.207 13.906 36 2HG2 THR 4 2HG2 THR 4 -0.439 10.966 14.479 37 3HG2 THR 4 3HG2 THR 4 0.355 11.569 13.024 38 H GLU 5 H GLU 5 1.386 8.236 11.539 39 HA GLU 5 HA GLU 5 3.716 9.812 11.645 40 1HB GLU 5 2HB GLU 5 3.013 7.002 10.927 41 2HB GLU 5 1HB GLU 5 4.650 7.548 10.584 42 1HG GLU 5 2HG GLU 5 4.470 8.494 13.064 43 2HG GLU 5 1HG GLU 5 3.282 7.200 13.211 44 H LEU 6 H LEU 6 2.146 8.313 8.783 45 HA LEU 6 HA LEU 6 3.920 9.328 6.798 46 1HB LEU 6 2HB LEU 6 1.056 8.487 6.966 47 2HB LEU 6 1HB LEU 6 1.551 9.368 5.522 48 HG LEU 6 HG LEU 6 3.265 7.110 6.487 49 1HD1 LEU 6 1HD1 LEU 6 1.073 6.516 4.546 50 2HD1 LEU 6 2HD1 LEU 6 0.665 6.555 6.262 51 3HD1 LEU 6 3HD1 LEU 6 1.897 5.438 5.674 52 1HD2 LEU 6 1HD2 LEU 6 2.484 7.932 3.680 53 2HD2 LEU 6 2HD2 LEU 6 3.887 6.989 4.182 54 3HD2 LEU 6 3HD2 LEU 6 3.803 8.711 4.554 55 H ILE 7 H ILE 7 1.168 10.855 8.479 56 HA ILE 7 HA ILE 7 0.911 13.252 7.029 57 HB ILE 7 HB ILE 7 0.022 12.155 9.451 58 1HG1 ILE 7 2HG1 ILE 7 -0.422 14.813 8.105 59 2HG1 ILE 7 1HG1 ILE 7 -1.448 13.381 8.065 60 1HG2 ILE 7 1HG2 ILE 7 1.909 13.239 10.637 61 2HG2 ILE 7 2HG2 ILE 7 0.369 13.936 11.113 62 3HG2 ILE 7 3HG2 ILE 7 1.413 14.797 9.984 63 1HD1 ILE 7 1HD1 ILE 7 -1.423 13.795 10.727 64 2HD1 ILE 7 2HD1 ILE 7 -2.605 14.570 9.679 65 3HD1 ILE 7 3HD1 ILE 7 -1.174 15.456 10.194 66 H LYS 8 H LYS 8 3.178 12.381 9.608 67 HA LYS 8 HA LYS 8 4.639 14.869 9.584 68 1HB LYS 8 2HB LYS 8 5.601 13.859 11.383 69 2HB LYS 8 1HB LYS 8 4.510 12.509 11.089 70 1HG LYS 8 2HG LYS 8 6.219 11.530 9.539 71 2HG LYS 8 1HG LYS 8 7.319 12.833 9.991 72 1HD LYS 8 2HD LYS 8 7.995 11.335 11.580 73 2HD LYS 8 1HD LYS 8 6.597 11.964 12.453 74 1HE LYS 8 2HE LYS 8 5.496 9.983 12.289 75 2HE LYS 8 1HE LYS 8 5.878 9.832 10.562 76 1HZ LYS 8 1HZ LYS 8 7.721 9.279 12.829 77 2HZ LYS 8 2HZ LYS 8 8.163 9.244 11.189 78 3HZ LYS 8 3HZ LYS 8 7.036 8.125 11.793 79 H ALA 9 H ALA 9 4.853 11.843 7.788 80 HA ALA 9 HA ALA 9 7.408 12.079 6.623 81 1HB ALA 9 1HB ALA 9 5.506 10.298 6.446 82 2HB ALA 9 2HB ALA 9 6.553 10.538 5.048 83 3HB ALA 9 3HB ALA 9 4.947 11.265 5.081 84 H ILE 10 H ILE 10 4.332 13.657 5.755 85 HA ILE 10 HA ILE 10 5.782 15.249 3.688 86 HB ILE 10 HB ILE 10 3.038 14.215 4.159 87 1HG1 ILE 10 2HG1 ILE 10 2.991 14.249 1.689 88 2HG1 ILE 10 1HG1 ILE 10 4.523 15.124 1.675 89 1HG2 ILE 10 1HG2 ILE 10 2.548 16.588 4.479 90 2HG2 ILE 10 2HG2 ILE 10 1.944 16.069 2.907 91 3HG2 ILE 10 3HG2 ILE 10 3.440 16.995 3.013 92 1HD1 ILE 10 1HD1 ILE 10 4.969 12.756 1.324 93 2HD1 ILE 10 2HD1 ILE 10 4.046 12.335 2.766 94 3HD1 ILE 10 3HD1 ILE 10 5.566 13.216 2.918 95 H ALA 11 H ALA 11 4.082 15.404 6.766 96 HA ALA 11 HA ALA 11 3.879 18.296 6.826 97 1HB ALA 11 1HB ALA 11 3.947 16.134 8.959 98 2HB ALA 11 2HB ALA 11 2.509 16.840 8.232 99 3HB ALA 11 3HB ALA 11 3.535 17.813 9.287 100 H GLN 12 H GLN 12 6.497 16.122 6.995 101 HA GLN 12 HA GLN 12 8.208 18.168 8.337 102 1HB GLN 12 2HB GLN 12 8.659 15.183 7.952 103 2HB GLN 12 1HB GLN 12 9.664 16.267 8.914 104 1HG GLN 12 2HG GLN 12 6.722 15.935 9.497 105 2HG GLN 12 1HG GLN 12 7.920 14.829 10.167 106 1HE2 GLN 12 1HE2 GLN 12 6.342 16.635 11.804 107 2HE2 GLN 12 2HE2 GLN 12 7.409 17.745 12.519 108 H ASP 13 H ASP 13 8.022 15.836 5.618 109 HA ASP 13 HA ASP 13 10.477 16.721 4.337 110 1HB ASP 13 2HB ASP 13 7.910 15.376 3.441 111 2HB ASP 13 1HB ASP 13 9.205 15.740 2.304 112 H THR 14 H THR 14 7.117 17.612 4.344 113 HA THR 14 HA THR 14 7.564 19.919 2.530 114 HB THR 14 HB THR 14 4.869 19.445 3.562 115 HG1 THR 14 HG1 THR 14 6.176 17.307 2.226 116 1HG2 THR 14 1HG2 THR 14 6.235 19.358 0.887 117 2HG2 THR 14 2HG2 THR 14 5.173 20.608 1.523 118 3HG2 THR 14 3HG2 THR 14 4.514 19.036 1.078 119 H GLY 15 H GLY 15 5.482 19.419 5.408 120 1HA GLY 15 2HA GLY 15 5.060 20.871 7.219 121 2HA GLY 15 1HA GLY 15 6.818 20.911 7.331 122 H LEU 16 H LEU 16 5.333 22.104 4.471 123 HA LEU 16 HA LEU 16 6.444 24.761 4.887 124 1HB LEU 16 2HB LEU 16 4.551 24.833 2.757 125 2HB LEU 16 1HB LEU 16 6.306 24.810 2.638 126 HG LEU 16 HG LEU 16 6.162 22.308 2.939 127 1HD1 LEU 16 1HD1 LEU 16 4.116 21.238 2.956 128 2HD1 LEU 16 2HD1 LEU 16 3.360 22.461 1.932 129 3HD1 LEU 16 3HD1 LEU 16 3.596 22.771 3.645 130 1HD2 LEU 16 1HD2 LEU 16 6.196 22.077 0.655 131 2HD2 LEU 16 2HD2 LEU 16 6.106 23.839 0.677 132 3HD2 LEU 16 3HD2 LEU 16 4.641 22.883 0.454 133 H THR 17 H THR 17 3.408 23.211 5.333 134 HA THR 17 HA THR 17 2.305 25.504 6.778 135 HB THR 17 HB THR 17 2.011 25.274 4.004 136 HG1 THR 17 HG1 THR 17 1.727 27.160 5.191 137 1HG2 THR 17 1HG2 THR 17 0.443 23.532 4.020 138 2HG2 THR 17 2HG2 THR 17 -0.534 24.989 3.883 139 3HG2 THR 17 3HG2 THR 17 -0.402 24.170 5.428 140 H GLN 18 H GLN 18 2.583 22.181 6.197 141 HA GLN 18 HA GLN 18 1.456 20.304 7.083 142 1HB GLN 18 2HB GLN 18 0.061 22.281 8.907 143 2HB GLN 18 1HB GLN 18 0.549 20.625 9.266 144 1HG GLN 18 2HG GLN 18 2.968 21.491 8.846 145 2HG GLN 18 1HG GLN 18 2.263 23.093 9.072 146 1HE2 GLN 18 1HE2 GLN 18 3.315 23.455 11.142 147 2HE2 GLN 18 2HE2 GLN 18 2.880 22.582 12.531 148 H VAL 19 H VAL 19 0.447 22.078 4.957 149 HA VAL 19 HA VAL 19 -1.814 22.948 4.275 150 HB VAL 19 HB VAL 19 -0.693 21.746 2.588 151 1HG1 VAL 19 1HG1 VAL 19 0.355 19.827 3.103 152 2HG1 VAL 19 2HG1 VAL 19 -1.197 19.002 2.973 153 3HG1 VAL 19 3HG1 VAL 19 -0.649 19.610 4.534 154 1HG2 VAL 19 1HG2 VAL 19 -3.093 21.806 2.109 155 2HG2 VAL 19 2HG2 VAL 19 -3.325 20.297 2.983 156 3HG2 VAL 19 3HG2 VAL 19 -2.395 20.310 1.495 157 H SER 20 H SER 20 -2.574 19.591 4.495 158 HA SER 20 HA SER 20 -4.693 20.113 6.476 159 1HB SER 20 2HB SER 20 -4.859 19.423 3.670 160 2HB SER 20 1HB SER 20 -5.505 18.109 4.635 161 HG SER 20 HG SER 20 -7.135 19.590 4.262 162 H VAL 21 H VAL 21 -1.879 18.972 6.458 163 HA VAL 21 HA VAL 21 -1.299 16.416 6.431 164 HB VAL 21 HB VAL 21 -0.425 16.645 8.801 165 1HG1 VAL 21 1HG1 VAL 21 1.014 18.650 8.215 166 2HG1 VAL 21 2HG1 VAL 21 0.029 18.826 6.763 167 3HG1 VAL 21 3HG1 VAL 21 0.983 17.364 7.008 168 1HG2 VAL 21 1HG2 VAL 21 -2.160 18.010 9.784 169 2HG2 VAL 21 2HG2 VAL 21 -1.926 19.266 8.569 170 3HG2 VAL 21 3HG2 VAL 21 -0.675 18.961 9.772 171 H SER 22 H SER 22 -3.674 17.787 8.556 172 HA SER 22 HA SER 22 -4.518 15.201 9.693 173 1HB SER 22 2HB SER 22 -5.465 18.062 9.767 174 2HB SER 22 1HB SER 22 -6.458 16.781 10.456 175 HG SER 22 HG SER 22 -3.739 17.319 11.096 176 H LYS 23 H LYS 23 -5.651 17.409 7.169 177 HA LYS 23 HA LYS 23 -7.941 15.700 6.553 178 1HB LYS 23 2HB LYS 23 -6.905 18.382 5.947 179 2HB LYS 23 1HB LYS 23 -7.879 17.648 4.672 180 1HG LYS 23 2HG LYS 23 -9.654 18.400 5.856 181 2HG LYS 23 1HG LYS 23 -9.312 17.066 6.957 182 1HD LYS 23 2HD LYS 23 -9.484 19.177 8.206 183 2HD LYS 23 1HD LYS 23 -7.837 18.549 8.281 184 1HE LYS 23 2HE LYS 23 -6.984 20.290 7.054 185 2HE LYS 23 1HE LYS 23 -8.411 20.374 6.004 186 1HZ LYS 23 1HZ LYS 23 -9.672 21.294 7.860 187 2HZ LYS 23 2HZ LYS 23 -8.338 22.280 7.491 188 3HZ LYS 23 3HZ LYS 23 -8.290 21.250 8.843 189 H MET 24 H MET 24 -4.787 16.541 4.976 190 HA MET 24 HA MET 24 -5.468 15.083 2.579 191 1HB MET 24 2HB MET 24 -2.771 14.921 2.582 192 2HB MET 24 1HB MET 24 -3.643 16.350 2.070 193 1HG MET 24 2HG MET 24 -2.778 17.569 3.758 194 2HG MET 24 1HG MET 24 -3.212 16.340 4.945 195 1HE MET 24 1HE MET 24 -0.632 14.686 6.066 196 2HE MET 24 2HE MET 24 -1.280 13.702 4.756 197 3HE MET 24 3HE MET 24 -2.350 14.767 5.659 198 H LEU 25 H LEU 25 -4.244 14.108 5.748 199 HA LEU 25 HA LEU 25 -3.544 11.422 4.762 200 1HB LEU 25 2HB LEU 25 -2.461 11.332 6.747 201 2HB LEU 25 1HB LEU 25 -2.842 13.043 6.873 202 HG LEU 25 HG LEU 25 -5.027 12.342 7.977 203 1HD1 LEU 25 1HD1 LEU 25 -4.230 9.907 9.109 204 2HD1 LEU 25 2HD1 LEU 25 -3.835 9.743 7.399 205 3HD1 LEU 25 3HD1 LEU 25 -5.484 10.124 7.888 206 1HD2 LEU 25 1HD2 LEU 25 -3.593 11.489 10.103 207 2HD2 LEU 25 2HD2 LEU 25 -3.651 13.173 9.595 208 3HD2 LEU 25 3HD2 LEU 25 -2.297 12.154 9.114 209 H ALA 26 H ALA 26 -6.117 12.913 6.743 210 HA ALA 26 HA ALA 26 -7.635 10.490 7.113 211 1HB ALA 26 1HB ALA 26 -8.692 13.329 6.973 212 2HB ALA 26 2HB ALA 26 -7.740 12.759 8.344 213 3HB ALA 26 3HB ALA 26 -9.288 12.001 7.970 214 H SER 27 H SER 27 -7.300 12.870 4.585 215 HA SER 27 HA SER 27 -9.640 11.852 3.088 216 1HB SER 27 2HB SER 27 -9.160 13.659 1.599 217 2HB SER 27 1HB SER 27 -8.849 14.284 3.213 218 HG SER 27 HG SER 27 -7.141 13.854 1.123 219 H PHE 28 H PHE 28 -6.128 11.615 3.150 220 HA PHE 28 HA PHE 28 -5.640 10.420 0.620 221 1HB PHE 28 2HB PHE 28 -3.693 10.879 1.749 222 2HB PHE 28 1HB PHE 28 -4.415 10.547 3.316 223 HD1 PHE 28 HD1 PHE 28 -2.536 9.146 0.497 224 HD2 PHE 28 HD2 PHE 28 -4.604 8.196 4.143 225 HE1 PHE 28 HE1 PHE 28 -1.339 7.012 0.629 226 HE2 PHE 28 HE2 PHE 28 -3.409 6.061 4.266 227 HZ PHE 28 HZ PHE 28 -1.782 5.452 2.494 228 H GLU 29 H GLU 29 -6.503 8.884 3.750 229 HA GLU 29 HA GLU 29 -6.748 6.257 2.550 230 1HB GLU 29 2HB GLU 29 -6.419 6.813 5.008 231 2HB GLU 29 1HB GLU 29 -8.101 7.359 5.029 232 1HG GLU 29 2HG GLU 29 -8.161 4.893 3.709 233 2HG GLU 29 1HG GLU 29 -7.055 4.662 5.057 234 H LYS 30 H LYS 30 -8.834 9.016 3.211 235 HA LYS 30 HA LYS 30 -11.318 7.796 2.434 236 1HB LYS 30 2HB LYS 30 -10.743 10.050 3.657 237 2HB LYS 30 1HB LYS 30 -10.637 10.700 2.021 238 1HG LYS 30 2HG LYS 30 -12.915 9.926 1.542 239 2HG LYS 30 1HG LYS 30 -13.029 9.223 3.156 240 1HD LYS 30 2HD LYS 30 -12.913 11.380 4.199 241 2HD LYS 30 1HD LYS 30 -12.469 12.159 2.680 242 1HE LYS 30 2HE LYS 30 -14.787 12.627 2.885 243 2HE LYS 30 1HE LYS 30 -14.754 11.214 1.811 244 1HZ LYS 30 1HZ LYS 30 -16.282 10.994 3.762 245 2HZ LYS 30 2HZ LYS 30 -14.913 11.016 4.769 246 3HZ LYS 30 3HZ LYS 30 -15.120 9.765 3.636 247 H ILE 31 H ILE 31 -8.529 8.851 0.638 248 HA ILE 31 HA ILE 31 -10.161 8.766 -1.856 249 HB ILE 31 HB ILE 31 -8.118 9.860 -2.815 250 1HG1 ILE 31 2HG1 ILE 31 -7.117 11.116 -0.536 251 2HG1 ILE 31 1HG1 ILE 31 -7.137 9.394 -0.192 252 1HG2 ILE 31 1HG2 ILE 31 -10.283 10.961 -2.040 253 2HG2 ILE 31 2HG2 ILE 31 -8.878 12.018 -2.180 254 3HG2 ILE 31 3HG2 ILE 31 -9.390 11.435 -0.596 255 1HD1 ILE 31 1HD1 ILE 31 -5.881 8.885 -2.169 256 2HD1 ILE 31 2HD1 ILE 31 -5.038 10.191 -1.337 257 3HD1 ILE 31 3HD1 ILE 31 -6.035 10.543 -2.749 258 H ILE 32 H ILE 32 -7.487 7.382 -0.135 259 HA ILE 32 HA ILE 32 -6.581 5.659 -2.294 260 HB ILE 32 HB ILE 32 -6.347 5.363 0.730 261 1HG1 ILE 32 2HG1 ILE 32 -5.270 7.376 -0.908 262 2HG1 ILE 32 1HG1 ILE 32 -4.718 6.943 0.707 263 1HG2 ILE 32 1HG2 ILE 32 -4.324 3.985 0.075 264 2HG2 ILE 32 2HG2 ILE 32 -4.887 4.067 -1.593 265 3HG2 ILE 32 3HG2 ILE 32 -5.875 3.272 -0.368 266 1HD1 ILE 32 1HD1 ILE 32 -2.887 6.950 -0.993 267 2HD1 ILE 32 2HD1 ILE 32 -3.717 5.639 -1.833 268 3HD1 ILE 32 3HD1 ILE 32 -3.099 5.388 -0.201 269 H THR 33 H THR 33 -8.362 5.083 0.700 270 HA THR 33 HA THR 33 -9.302 2.528 -0.168 271 HB THR 33 HB THR 33 -9.298 4.223 2.159 272 HG1 THR 33 HG1 THR 33 -10.069 1.519 1.917 273 1HG2 THR 33 1HG2 THR 33 -11.905 2.778 1.717 274 2HG2 THR 33 2HG2 THR 33 -11.714 4.525 1.568 275 3HG2 THR 33 3HG2 THR 33 -11.440 3.736 3.119 276 H GLU 34 H GLU 34 -10.717 5.831 -0.099 277 HA GLU 34 HA GLU 34 -13.275 5.002 -1.139 278 1HB GLU 34 2HB GLU 34 -11.711 7.567 -1.026 279 2HB GLU 34 1HB GLU 34 -13.356 7.504 -1.646 280 1HG GLU 34 2HG GLU 34 -12.538 6.481 1.101 281 2HG GLU 34 1HG GLU 34 -13.269 8.062 0.817 282 H THR 35 H THR 35 -10.195 5.978 -2.778 283 HA THR 35 HA THR 35 -11.328 6.287 -5.402 284 HB THR 35 HB THR 35 -8.632 5.396 -4.356 285 HG1 THR 35 HG1 THR 35 -9.607 7.625 -5.813 286 1HG2 THR 35 1HG2 THR 35 -8.322 4.285 -6.309 287 2HG2 THR 35 2HG2 THR 35 -8.245 5.883 -7.048 288 3HG2 THR 35 3HG2 THR 35 -9.762 4.989 -7.037 289 H VAL 36 H VAL 36 -9.980 3.425 -3.748 290 HA VAL 36 HA VAL 36 -10.617 1.557 -5.818 291 HB VAL 36 HB VAL 36 -10.562 1.417 -2.784 292 1HG1 VAL 36 1HG1 VAL 36 -11.634 -0.563 -2.898 293 2HG1 VAL 36 2HG1 VAL 36 -10.262 -1.178 -3.820 294 3HG1 VAL 36 3HG1 VAL 36 -11.657 -0.509 -4.661 295 1HG2 VAL 36 1HG2 VAL 36 -8.525 1.746 -4.467 296 2HG2 VAL 36 2HG2 VAL 36 -8.687 -0.002 -4.628 297 3HG2 VAL 36 3HG2 VAL 36 -8.377 0.713 -3.046 298 H ALA 37 H ALA 37 -12.580 3.071 -3.289 299 HA ALA 37 HA ALA 37 -15.008 1.607 -4.070 300 1HB ALA 37 1HB ALA 37 -14.223 2.514 -1.731 301 2HB ALA 37 2HB ALA 37 -15.931 2.548 -2.168 302 3HB ALA 37 3HB ALA 37 -14.959 4.013 -2.299 303 H LYS 38 H LYS 38 -13.256 3.995 -5.465 304 HA LYS 38 HA LYS 38 -15.670 5.456 -6.478 305 1HB LYS 38 2HB LYS 38 -13.274 6.379 -5.395 306 2HB LYS 38 1HB LYS 38 -13.009 6.515 -7.131 307 1HG LYS 38 2HG LYS 38 -14.000 8.586 -6.396 308 2HG LYS 38 1HG LYS 38 -15.239 7.700 -7.284 309 1HD LYS 38 2HD LYS 38 -16.319 8.470 -5.305 310 2HD LYS 38 1HD LYS 38 -15.980 6.764 -5.016 311 1HE LYS 38 2HE LYS 38 -15.148 7.668 -3.038 312 2HE LYS 38 1HE LYS 38 -13.691 7.782 -4.043 313 1HZ LYS 38 1HZ LYS 38 -15.762 9.898 -3.779 314 2HZ LYS 38 2HZ LYS 38 -14.348 9.998 -4.717 315 3HZ LYS 38 3HZ LYS 38 -14.244 9.923 -3.022 316 H GLY 39 H GLY 39 -13.209 3.214 -7.160 317 1HA GLY 39 2HA GLY 39 -13.202 1.828 -9.069 318 2HA GLY 39 1HA GLY 39 -14.155 3.037 -9.924 319 H ASP 40 H ASP 40 -11.018 3.334 -8.186 320 HA ASP 40 HA ASP 40 -9.810 4.049 -10.844 321 1HB ASP 40 2HB ASP 40 -10.428 5.778 -8.608 322 2HB ASP 40 1HB ASP 40 -8.690 5.772 -8.909 323 H LYS 41 H LYS 41 -7.765 3.258 -11.115 324 HA LYS 41 HA LYS 41 -6.649 1.452 -9.108 325 1HB LYS 41 2HB LYS 41 -5.836 2.412 -11.868 326 2HB LYS 41 1HB LYS 41 -4.895 1.234 -10.952 327 1HG LYS 41 2HG LYS 41 -7.136 -0.060 -10.728 328 2HG LYS 41 1HG LYS 41 -7.684 0.958 -12.061 329 1HD LYS 41 2HD LYS 41 -5.065 -0.517 -12.246 330 2HD LYS 41 1HD LYS 41 -6.580 -1.334 -12.628 331 1HE LYS 41 2HE LYS 41 -6.466 1.289 -13.898 332 2HE LYS 41 1HE LYS 41 -5.095 0.269 -14.382 333 1HZ LYS 41 1HZ LYS 41 -7.020 -0.211 -15.757 334 2HZ LYS 41 2HZ LYS 41 -7.957 -0.540 -14.379 335 3HZ LYS 41 3HZ LYS 41 -6.652 -1.550 -14.785 336 H VAL 42 H VAL 42 -6.059 2.854 -7.382 337 HA VAL 42 HA VAL 42 -4.585 5.287 -7.600 338 HB VAL 42 HB VAL 42 -4.845 3.148 -5.472 339 1HG1 VAL 42 1HG1 VAL 42 -3.192 5.648 -5.503 340 2HG1 VAL 42 2HG1 VAL 42 -2.857 4.095 -4.737 341 3HG1 VAL 42 3HG1 VAL 42 -4.017 5.205 -4.009 342 1HG2 VAL 42 1HG2 VAL 42 -5.892 5.688 -4.729 343 2HG2 VAL 42 2HG2 VAL 42 -6.789 4.216 -5.091 344 3HG2 VAL 42 3HG2 VAL 42 -6.431 5.366 -6.377 345 H GLN 43 H GLN 43 -2.505 5.604 -8.294 346 HA GLN 43 HA GLN 43 -0.567 3.326 -8.029 347 1HB GLN 43 2HB GLN 43 -0.844 5.399 -10.232 348 2HB GLN 43 1HB GLN 43 0.363 4.116 -10.182 349 1HG GLN 43 2HG GLN 43 -1.139 2.493 -10.757 350 2HG GLN 43 1HG GLN 43 -2.463 3.259 -9.881 351 1HE2 GLN 43 1HE2 GLN 43 -3.940 3.188 -11.706 352 2HE2 GLN 43 2HE2 GLN 43 -3.707 4.152 -13.084 353 H LEU 44 H LEU 44 1.727 4.121 -7.969 354 HA LEU 44 HA LEU 44 1.979 6.906 -6.907 355 1HB LEU 44 2HB LEU 44 3.188 4.364 -5.755 356 2HB LEU 44 1HB LEU 44 3.395 5.992 -5.114 357 HG LEU 44 HG LEU 44 0.705 4.635 -5.407 358 1HD1 LEU 44 1HD1 LEU 44 1.075 3.573 -3.454 359 2HD1 LEU 44 2HD1 LEU 44 1.508 5.092 -2.683 360 3HD1 LEU 44 3HD1 LEU 44 2.741 4.138 -3.488 361 1HD2 LEU 44 1HD2 LEU 44 0.041 6.786 -5.161 362 2HD2 LEU 44 2HD2 LEU 44 1.650 7.316 -4.672 363 3HD2 LEU 44 3HD2 LEU 44 0.555 6.611 -3.484 364 H THR 45 H THR 45 3.211 7.814 -8.508 365 HA THR 45 HA THR 45 4.809 7.973 -10.253 366 HB THR 45 HB THR 45 6.119 8.842 -8.546 367 HG1 THR 45 HG1 THR 45 8.051 8.176 -9.092 368 1HG2 THR 45 1HG2 THR 45 5.310 7.502 -6.695 369 2HG2 THR 45 2HG2 THR 45 7.072 7.438 -6.702 370 3HG2 THR 45 3HG2 THR 45 6.141 6.080 -7.316 371 H GLY 46 H GLY 46 6.813 5.454 -8.843 372 1HA GLY 46 2HA GLY 46 5.927 3.586 -10.978 373 2HA GLY 46 1HA GLY 46 7.629 4.029 -10.879 374 H PHE 47 H PHE 47 5.846 3.678 -7.869 375 HA PHE 47 HA PHE 47 7.225 1.063 -7.517 376 1HB PHE 47 2HB PHE 47 7.828 1.645 -5.324 377 2HB PHE 47 1HB PHE 47 8.146 3.085 -6.269 378 HD1 PHE 47 HD1 PHE 47 6.205 1.624 -3.540 379 HD2 PHE 47 HD2 PHE 47 6.610 5.038 -6.096 380 HE1 PHE 47 HE1 PHE 47 4.849 2.958 -1.979 381 HE2 PHE 47 HE2 PHE 47 5.253 6.374 -4.537 382 HZ PHE 47 HZ PHE 47 4.366 5.343 -2.477 383 H LEU 48 H LEU 48 4.427 2.865 -6.091 384 HA LEU 48 HA LEU 48 3.211 0.199 -5.629 385 1HB LEU 48 2HB LEU 48 3.340 2.757 -4.341 386 2HB LEU 48 1HB LEU 48 1.671 2.208 -4.490 387 HG LEU 48 HG LEU 48 2.912 1.474 -2.417 388 1HD1 LEU 48 1HD1 LEU 48 1.499 -0.323 -4.364 389 2HD1 LEU 48 2HD1 LEU 48 0.955 0.246 -2.786 390 3HD1 LEU 48 3HD1 LEU 48 2.155 -1.042 -2.894 391 1HD2 LEU 48 1HD2 LEU 48 4.806 0.610 -4.329 392 2HD2 LEU 48 2HD2 LEU 48 4.099 -0.860 -3.667 393 3HD2 LEU 48 3HD2 LEU 48 4.853 0.318 -2.594 394 H ASN 49 H ASN 49 1.585 -0.553 -6.771 395 HA ASN 49 HA ASN 49 -0.268 1.364 -8.177 396 1HB ASN 49 2HB ASN 49 1.487 0.033 -9.576 397 2HB ASN 49 1HB ASN 49 0.452 -1.359 -9.244 398 1HD2 ASN 49 1HD2 ASN 49 0.967 0.332 -11.808 399 2HD2 ASN 49 2HD2 ASN 49 -0.598 0.698 -12.355 400 H ILE 50 H ILE 50 -1.994 1.122 -6.681 401 HA ILE 50 HA ILE 50 -2.787 -1.558 -5.738 402 HB ILE 50 HB ILE 50 -3.881 1.244 -5.373 403 1HG1 ILE 50 2HG1 ILE 50 -1.767 -0.357 -4.102 404 2HG1 ILE 50 1HG1 ILE 50 -2.039 1.381 -4.055 405 1HG2 ILE 50 1HG2 ILE 50 -5.281 0.322 -3.599 406 2HG2 ILE 50 2HG2 ILE 50 -4.619 -1.289 -3.872 407 3HG2 ILE 50 3HG2 ILE 50 -5.626 -0.529 -5.103 408 1HD1 ILE 50 1HD1 ILE 50 -3.362 -0.733 -2.341 409 2HD1 ILE 50 2HD1 ILE 50 -3.926 0.935 -2.418 410 3HD1 ILE 50 3HD1 ILE 50 -2.310 0.577 -1.810 411 H LYS 51 H LYS 51 -5.011 -2.430 -6.139 412 HA LYS 51 HA LYS 51 -6.647 -1.120 -8.193 413 1HB LYS 51 2HB LYS 51 -6.270 -3.050 -9.838 414 2HB LYS 51 1HB LYS 51 -4.937 -1.911 -9.661 415 1HG LYS 51 2HG LYS 51 -3.616 -3.424 -8.496 416 2HG LYS 51 1HG LYS 51 -5.001 -4.327 -7.887 417 1HD LYS 51 2HD LYS 51 -4.537 -4.283 -10.842 418 2HD LYS 51 1HD LYS 51 -3.496 -5.304 -9.849 419 1HE LYS 51 2HE LYS 51 -5.690 -6.189 -8.788 420 2HE LYS 51 1HE LYS 51 -6.493 -5.463 -10.194 421 1HZ LYS 51 1HZ LYS 51 -5.106 -6.693 -11.664 422 2HZ LYS 51 2HZ LYS 51 -5.743 -7.802 -10.545 423 3HZ LYS 51 3HZ LYS 51 -4.140 -7.262 -10.391 424 HA PRO 52 HA PRO 52 -9.309 -3.913 -5.930 425 1HB PRO 52 2HB PRO 52 -11.666 -2.828 -6.746 426 2HB PRO 52 1HB PRO 52 -10.650 -2.086 -5.497 427 1HG PRO 52 2HG PRO 52 -11.012 -1.332 -8.330 428 2HG PRO 52 1HG PRO 52 -10.680 -0.316 -6.923 429 1HD PRO 52 2HD PRO 52 -8.813 -1.109 -8.828 430 2HD PRO 52 1HD PRO 52 -8.439 -0.470 -7.213 431 H VAL 53 H VAL 53 -10.408 -5.761 -6.498 432 HA VAL 53 HA VAL 53 -11.151 -6.127 -9.358 433 HB VAL 53 HB VAL 53 -10.034 -8.314 -9.308 434 1HG1 VAL 53 1HG1 VAL 53 -7.736 -7.456 -9.324 435 2HG1 VAL 53 2HG1 VAL 53 -8.225 -6.066 -8.355 436 3HG1 VAL 53 3HG1 VAL 53 -8.811 -6.238 -10.009 437 1HG2 VAL 53 1HG2 VAL 53 -9.387 -7.426 -6.494 438 2HG2 VAL 53 2HG2 VAL 53 -8.438 -8.659 -7.315 439 3HG2 VAL 53 3HG2 VAL 53 -10.151 -8.929 -6.998 440 H ALA 54 H ALA 54 -13.260 -6.544 -9.338 441 HA ALA 54 HA ALA 54 -14.714 -7.588 -7.067 442 1HB ALA 54 1HB ALA 54 -15.392 -7.116 -9.981 443 2HB ALA 54 2HB ALA 54 -15.744 -6.053 -8.618 444 3HB ALA 54 3HB ALA 54 -16.589 -7.592 -8.776 445 H ARG 55 H ARG 55 -15.224 -9.702 -6.563 446 HA ARG 55 HA ARG 55 -15.607 -11.829 -8.429 447 1HB ARG 55 2HB ARG 55 -12.854 -11.052 -7.887 448 2HB ARG 55 1HB ARG 55 -13.133 -12.730 -7.427 449 1HG ARG 55 2HG ARG 55 -13.536 -13.401 -9.584 450 2HG ARG 55 1HG ARG 55 -14.263 -11.859 -10.039 451 1HD ARG 55 2HD ARG 55 -12.122 -10.808 -10.280 452 2HD ARG 55 1HD ARG 55 -11.296 -12.160 -9.482 453 HE ARG 55 HE ARG 55 -12.517 -12.265 -12.201 454 1HH1 ARG 55 1HH1 ARG 55 -11.803 -14.370 -9.705 455 2HH1 ARG 55 2HH1 ARG 55 -10.718 -15.369 -10.613 456 1HH2 ARG 55 1HH2 ARG 55 -10.638 -13.251 -13.355 457 2HH2 ARG 55 2HH2 ARG 55 -10.058 -14.735 -12.678 458 H GLN 56 H GLN 56 -16.863 -11.105 -5.993 459 HA GLN 56 HA GLN 56 -16.507 -13.613 -4.465 460 1HB GLN 56 2HB GLN 56 -15.767 -10.854 -3.519 461 2HB GLN 56 1HB GLN 56 -16.291 -12.074 -2.357 462 1HG GLN 56 2HG GLN 56 -14.537 -13.592 -3.617 463 2HG GLN 56 1HG GLN 56 -13.844 -12.042 -4.094 464 1HE2 GLN 56 1HE2 GLN 56 -13.744 -10.428 -2.047 465 2HE2 GLN 56 2HE2 GLN 56 -13.110 -11.125 -0.635 466 H ALA 57 H ALA 57 -18.593 -14.280 -4.167 467 HA ALA 57 HA ALA 57 -20.528 -12.749 -2.703 468 1HB ALA 57 1HB ALA 57 -20.806 -11.394 -4.617 469 2HB ALA 57 2HB ALA 57 -22.114 -12.569 -4.753 470 3HB ALA 57 3HB ALA 57 -20.650 -12.763 -5.717 471 H ARG 58 H ARG 58 -20.123 -15.066 -1.868 472 HA ARG 58 HA ARG 58 -22.091 -16.923 -3.136 473 1HB ARG 58 2HB ARG 58 -20.146 -17.960 -3.771 474 2HB ARG 58 1HB ARG 58 -19.194 -17.137 -2.542 475 1HG ARG 58 2HG ARG 58 -19.595 -18.745 -0.953 476 2HG ARG 58 1HG ARG 58 -21.152 -19.197 -1.646 477 1HD ARG 58 2HD ARG 58 -19.205 -19.764 -3.635 478 2HD ARG 58 1HD ARG 58 -18.588 -20.425 -2.110 479 HE ARG 58 HE ARG 58 -20.933 -21.452 -1.855 480 1HH1 ARG 58 1HH1 ARG 58 -21.116 -19.976 -4.758 481 2HH1 ARG 58 2HH1 ARG 58 -21.353 -21.399 -5.717 482 1HH2 ARG 58 1HH2 ARG 58 -20.562 -23.587 -3.145 483 2HH2 ARG 58 2HH2 ARG 58 -21.040 -23.444 -4.803 484 H LYS 59 H LYS 59 -23.075 -18.400 -1.600 485 HA LYS 59 HA LYS 59 -22.551 -18.031 1.286 486 1HB LYS 59 2HB LYS 59 -24.852 -16.906 -0.243 487 2HB LYS 59 1HB LYS 59 -25.201 -17.589 1.346 488 1HG LYS 59 2HG LYS 59 -23.095 -16.170 2.074 489 2HG LYS 59 1HG LYS 59 -23.490 -15.233 0.631 490 1HD LYS 59 2HD LYS 59 -25.957 -15.447 1.706 491 2HD LYS 59 1HD LYS 59 -24.994 -15.508 3.182 492 1HE LYS 59 2HE LYS 59 -24.190 -13.344 2.909 493 2HE LYS 59 1HE LYS 59 -24.345 -13.401 1.142 494 1HZ LYS 59 1HZ LYS 59 -26.770 -13.508 1.431 495 2HZ LYS 59 2HZ LYS 59 -26.118 -12.066 2.052 496 3HZ LYS 59 3HZ LYS 59 -26.576 -13.318 3.105 497 H GLY 60 H GLY 60 -22.266 -20.252 1.578 498 1HA GLY 60 2HA GLY 60 -23.679 -22.215 2.297 499 2HA GLY 60 1HA GLY 60 -24.552 -22.011 0.775 500 H PHE 61 H PHE 61 -23.978 -24.101 -0.040 501 HA PHE 61 HA PHE 61 -21.073 -24.351 -0.752 502 1HB PHE 61 2HB PHE 61 -21.593 -25.953 0.997 503 2HB PHE 61 1HB PHE 61 -23.060 -26.465 0.156 504 HD1 PHE 61 HD1 PHE 61 -22.967 -28.239 -1.410 505 HD2 PHE 61 HD2 PHE 61 -19.376 -26.163 -0.329 506 HE1 PHE 61 HE1 PHE 61 -21.639 -29.735 -2.844 507 HE2 PHE 61 HE2 PHE 61 -18.054 -27.685 -1.754 508 HZ PHE 61 HZ PHE 61 -19.191 -29.484 -3.019 509 H ASN 62 H ASN 62 -20.858 -26.067 -2.610 510 HA ASN 62 HA ASN 62 -22.248 -25.207 -4.949 511 1HB ASN 62 2HB ASN 62 -20.027 -26.765 -4.152 512 2HB ASN 62 1HB ASN 62 -21.075 -27.892 -5.011 513 1HD2 ASN 62 1HD2 ASN 62 -19.729 -27.981 -6.931 514 2HD2 ASN 62 2HD2 ASN 62 -19.548 -26.649 -7.967 515 HA PRO 63 HA PRO 63 -25.659 -28.038 -4.879 516 1HB PRO 63 2HB PRO 63 -25.580 -29.513 -7.179 517 2HB PRO 63 1HB PRO 63 -25.976 -27.784 -7.157 518 1HG PRO 63 2HG PRO 63 -23.481 -29.138 -7.972 519 2HG PRO 63 1HG PRO 63 -24.190 -27.626 -8.551 520 1HD PRO 63 2HD PRO 63 -22.065 -27.863 -6.760 521 2HD PRO 63 1HD PRO 63 -23.021 -26.396 -7.054 522 H GLN 64 H GLN 64 -23.643 -29.082 -3.266 523 HA GLN 64 HA GLN 64 -24.150 -31.959 -3.450 524 1HB GLN 64 2HB GLN 64 -22.024 -30.861 -4.799 525 2HB GLN 64 1HB GLN 64 -21.271 -31.293 -3.271 526 1HG GLN 64 2HG GLN 64 -21.101 -33.393 -4.090 527 2HG GLN 64 1HG GLN 64 -22.845 -33.515 -3.860 528 1HE2 GLN 64 1HE2 GLN 64 -23.138 -34.843 -5.787 529 2HE2 GLN 64 2HE2 GLN 64 -22.963 -34.195 -7.346 530 H THR 65 H THR 65 -21.330 -31.514 -1.767 531 HA THR 65 HA THR 65 -22.065 -30.234 0.665 532 HB THR 65 HB THR 65 -23.787 -31.977 0.781 533 HG1 THR 65 HG1 THR 65 -22.534 -31.421 2.684 534 1HG2 THR 65 1HG2 THR 65 -21.918 -33.534 -0.568 535 2HG2 THR 65 2HG2 THR 65 -23.459 -34.097 0.077 536 3HG2 THR 65 3HG2 THR 65 -21.989 -34.264 1.036 537 H GLN 66 H GLN 66 -19.718 -29.890 -0.253 538 HA GLN 66 HA GLN 66 -17.905 -31.872 1.069 539 1HB GLN 66 2HB GLN 66 -17.173 -30.360 -1.433 540 2HB GLN 66 1HB GLN 66 -16.494 -31.864 -0.821 541 1HG GLN 66 2HG GLN 66 -19.287 -31.509 -1.958 542 2HG GLN 66 1HG GLN 66 -17.934 -32.297 -2.767 543 1HE2 GLN 66 1HE2 GLN 66 -20.423 -33.652 -2.145 544 2HE2 GLN 66 2HE2 GLN 66 -20.072 -34.878 -1.024 545 H GLU 67 H GLU 67 -17.429 -28.741 -0.587 546 HA GLU 67 HA GLU 67 -16.079 -27.762 1.915 547 1HB GLU 67 2HB GLU 67 -15.115 -28.115 -0.661 548 2HB GLU 67 1HB GLU 67 -15.493 -26.392 -0.619 549 1HG GLU 67 2HG GLU 67 -14.261 -26.422 1.681 550 2HG GLU 67 1HG GLU 67 -13.577 -27.943 1.109 551 H ALA 68 H ALA 68 -18.319 -27.063 2.581 552 HA ALA 68 HA ALA 68 -19.907 -25.183 1.161 553 1HB ALA 68 1HB ALA 68 -20.043 -26.577 3.487 554 2HB ALA 68 2HB ALA 68 -21.134 -25.249 3.090 555 3HB ALA 68 3HB ALA 68 -19.724 -24.959 4.110 556 H LEU 69 H LEU 69 -19.816 -22.973 0.957 557 HA LEU 69 HA LEU 69 -17.447 -21.581 2.152 558 1HB LEU 69 2HB LEU 69 -19.101 -20.782 -0.257 559 2HB LEU 69 1HB LEU 69 -17.485 -20.221 0.173 560 HG LEU 69 HG LEU 69 -17.120 -22.943 0.063 561 1HD1 LEU 69 1HD1 LEU 69 -18.587 -22.510 -2.473 562 2HD1 LEU 69 2HD1 LEU 69 -19.596 -22.685 -1.037 563 3HD1 LEU 69 3HD1 LEU 69 -18.460 -23.960 -1.476 564 1HD2 LEU 69 1HD2 LEU 69 -15.529 -22.234 -1.374 565 2HD2 LEU 69 2HD2 LEU 69 -16.266 -20.633 -1.319 566 3HD2 LEU 69 3HD2 LEU 69 -16.744 -21.783 -2.569 567 H GLU 70 H GLU 70 -18.402 -18.951 1.580 568 HA GLU 70 HA GLU 70 -21.011 -18.278 2.426 569 1HB GLU 70 2HB GLU 70 -19.312 -19.398 4.507 570 2HB GLU 70 1HB GLU 70 -19.797 -17.755 4.921 571 1HG GLU 70 2HG GLU 70 -22.060 -18.281 4.960 572 2HG GLU 70 1HG GLU 70 -21.866 -19.648 3.863 573 H ILE 71 H ILE 71 -18.588 -17.271 0.930 574 HA ILE 71 HA ILE 71 -17.654 -14.887 2.305 575 HB ILE 71 HB ILE 71 -16.612 -14.477 0.100 576 1HG1 ILE 71 2HG1 ILE 71 -17.381 -16.909 -1.219 577 2HG1 ILE 71 1HG1 ILE 71 -18.834 -15.996 -0.814 578 1HG2 ILE 71 1HG2 ILE 71 -15.115 -16.254 0.240 579 2HG2 ILE 71 2HG2 ILE 71 -16.392 -17.433 0.541 580 3HG2 ILE 71 3HG2 ILE 71 -15.887 -16.333 1.824 581 1HD1 ILE 71 1HD1 ILE 71 -16.449 -14.658 -2.081 582 2HD1 ILE 71 2HD1 ILE 71 -18.119 -14.096 -2.020 583 3HD1 ILE 71 3HD1 ILE 71 -17.682 -15.455 -3.057 584 H ALA 72 H ALA 72 -17.907 -12.954 0.218 585 HA ALA 72 HA ALA 72 -20.745 -12.617 -0.434 586 1HB ALA 72 1HB ALA 72 -21.312 -11.444 1.418 587 2HB ALA 72 2HB ALA 72 -19.897 -10.403 1.254 588 3HB ALA 72 3HB ALA 72 -19.769 -11.937 2.114 589 HA PRO 73 HA PRO 73 -19.348 -9.574 -3.266 590 1HB PRO 73 2HB PRO 73 -20.753 -7.283 -2.748 591 2HB PRO 73 1HB PRO 73 -21.475 -8.721 -3.496 592 1HG PRO 73 2HG PRO 73 -21.597 -7.796 -0.669 593 2HG PRO 73 1HG PRO 73 -22.862 -8.520 -1.677 594 1HD PRO 73 2HD PRO 73 -21.489 -9.917 0.195 595 2HD PRO 73 1HD PRO 73 -22.135 -10.666 -1.279 596 H SER 74 H SER 74 -17.261 -8.913 -3.071 597 HA SER 74 HA SER 74 -16.639 -6.426 -1.658 598 1HB SER 74 2HB SER 74 -14.923 -7.633 -0.201 599 2HB SER 74 1HB SER 74 -16.606 -7.921 0.230 600 HG SER 74 HG SER 74 -15.673 -9.905 0.124 601 H VAL 75 H VAL 75 -15.593 -5.607 -3.489 602 HA VAL 75 HA VAL 75 -14.156 -7.018 -5.435 603 HB VAL 75 HB VAL 75 -14.836 -4.424 -4.985 604 1HG1 VAL 75 1HG1 VAL 75 -12.641 -4.436 -3.463 605 2HG1 VAL 75 2HG1 VAL 75 -13.056 -3.040 -4.454 606 3HG1 VAL 75 3HG1 VAL 75 -11.851 -4.195 -5.020 607 1HG2 VAL 75 1HG2 VAL 75 -12.606 -5.283 -6.840 608 2HG2 VAL 75 2HG2 VAL 75 -13.696 -3.923 -7.070 609 3HG2 VAL 75 3HG2 VAL 75 -14.315 -5.569 -7.153 610 H GLY 76 H GLY 76 -11.695 -6.847 -5.768 611 1HA GLY 76 2HA GLY 76 -10.387 -7.669 -3.212 612 2HA GLY 76 1HA GLY 76 -9.861 -8.180 -4.817 613 H VAL 77 H VAL 77 -10.166 -5.310 -2.740 614 HA VAL 77 HA VAL 77 -8.690 -3.496 -4.372 615 HB VAL 77 HB VAL 77 -8.690 -3.654 -1.337 616 1HG1 VAL 77 1HG1 VAL 77 -7.783 -1.726 -3.289 617 2HG1 VAL 77 2HG1 VAL 77 -7.607 -1.696 -1.536 618 3HG1 VAL 77 3HG1 VAL 77 -9.049 -1.017 -2.288 619 1HG2 VAL 77 1HG2 VAL 77 -10.768 -2.009 -1.858 620 2HG2 VAL 77 2HG2 VAL 77 -10.972 -3.743 -1.625 621 3HG2 VAL 77 3HG2 VAL 77 -10.898 -3.076 -3.253 622 H SER 78 H SER 78 -7.056 -5.076 -5.174 623 HA SER 78 HA SER 78 -4.928 -5.759 -3.217 624 1HB SER 78 2HB SER 78 -6.110 -7.129 -5.221 625 2HB SER 78 1HB SER 78 -4.745 -6.450 -6.102 626 HG SER 78 HG SER 78 -4.271 -8.473 -5.097 627 H VAL 79 H VAL 79 -2.785 -5.824 -4.817 628 HA VAL 79 HA VAL 79 -2.232 -3.230 -6.091 629 HB VAL 79 HB VAL 79 -0.384 -2.788 -4.498 630 1HG1 VAL 79 1HG1 VAL 79 -2.844 -3.349 -2.840 631 2HG1 VAL 79 2HG1 VAL 79 -2.818 -2.056 -4.034 632 3HG1 VAL 79 3HG1 VAL 79 -1.694 -2.023 -2.678 633 1HG2 VAL 79 1HG2 VAL 79 -0.431 -4.225 -2.356 634 2HG2 VAL 79 2HG2 VAL 79 0.282 -4.953 -3.794 635 3HG2 VAL 79 3HG2 VAL 79 -1.356 -5.387 -3.307 636 H LYS 80 H LYS 80 0.648 -3.683 -6.013 637 HA LYS 80 HA LYS 80 1.209 -6.405 -6.730 638 1HB LYS 80 2HB LYS 80 0.071 -6.319 -8.689 639 2HB LYS 80 1HB LYS 80 0.153 -4.566 -8.770 640 1HG LYS 80 2HG LYS 80 2.528 -4.730 -9.497 641 2HG LYS 80 1HG LYS 80 2.404 -6.488 -9.449 642 1HD LYS 80 2HD LYS 80 0.193 -5.549 -10.967 643 2HD LYS 80 1HD LYS 80 1.618 -4.688 -11.552 644 1HE LYS 80 2HE LYS 80 2.684 -7.153 -11.401 645 2HE LYS 80 1HE LYS 80 0.990 -7.602 -11.681 646 1HZ LYS 80 1HZ LYS 80 2.574 -5.664 -13.283 647 2HZ LYS 80 2HZ LYS 80 0.927 -6.010 -13.518 648 3HZ LYS 80 3HZ LYS 80 2.098 -7.212 -13.784 649 HA PRO 81 HA PRO 81 5.030 -3.987 -7.799 650 1HB PRO 81 2HB PRO 81 4.888 -1.383 -8.543 651 2HB PRO 81 1HB PRO 81 4.555 -2.723 -9.658 652 1HG PRO 81 2HG PRO 81 2.710 -0.833 -8.415 653 2HG PRO 81 1HG PRO 81 2.494 -1.839 -9.852 654 1HD PRO 81 2HD PRO 81 1.504 -2.315 -7.186 655 2HD PRO 81 1HD PRO 81 1.273 -3.299 -8.640 656 H GLY 82 H GLY 82 6.566 -2.353 -7.001 657 1HA GLY 82 2HA GLY 82 6.054 -0.455 -5.022 658 2HA GLY 82 1HA GLY 82 6.342 -1.985 -4.197 659 H GLU 83 H GLU 83 8.096 -2.242 -7.035 660 HA GLU 83 HA GLU 83 10.513 -2.491 -7.082 661 1HB GLU 83 2HB GLU 83 11.459 -0.327 -7.544 662 2HB GLU 83 1HB GLU 83 9.793 -0.225 -8.101 663 1HG GLU 83 2HG GLU 83 9.226 0.783 -5.839 664 2HG GLU 83 1HG GLU 83 10.957 0.892 -5.542 665 H SER 84 H SER 84 9.451 -3.204 -4.747 666 HA SER 84 HA SER 84 9.625 -2.889 -2.377 667 1HB SER 84 2HB SER 84 10.659 -4.924 -2.693 668 2HB SER 84 1HB SER 84 11.808 -4.251 -3.834 669 HG SER 84 HG SER 84 12.785 -4.829 -1.841 670 H LEU 85 H LEU 85 10.040 -0.364 -3.476 671 HA LEU 85 HA LEU 85 11.796 1.387 -3.346 672 1HB LEU 85 2HB LEU 85 11.607 0.961 -0.402 673 2HB LEU 85 1HB LEU 85 11.235 2.405 -1.331 674 HG LEU 85 HG LEU 85 9.187 1.662 -0.308 675 1HD1 LEU 85 1HD1 LEU 85 8.223 2.288 -2.234 676 2HD1 LEU 85 2HD1 LEU 85 8.166 0.582 -2.669 677 3HD1 LEU 85 3HD1 LEU 85 9.520 1.581 -3.196 678 1HD2 LEU 85 1HD2 LEU 85 8.966 -0.945 -1.632 679 2HD2 LEU 85 2HD2 LEU 85 8.598 -0.486 0.028 680 3HD2 LEU 85 3HD2 LEU 85 10.255 -0.869 -0.431 681 H LYS 86 H LYS 86 12.381 -1.413 -3.497 682 HA LYS 86 HA LYS 86 14.350 -2.641 -1.949 683 1HB LYS 86 2HB LYS 86 13.337 -3.832 -3.743 684 2HB LYS 86 1HB LYS 86 13.360 -2.433 -4.800 685 1HG LYS 86 2HG LYS 86 15.971 -2.823 -4.753 686 2HG LYS 86 1HG LYS 86 15.510 -4.462 -4.278 687 1HD LYS 86 2HD LYS 86 13.937 -4.525 -6.237 688 2HD LYS 86 1HD LYS 86 14.575 -2.961 -6.746 689 1HE LYS 86 2HE LYS 86 16.583 -3.859 -7.449 690 2HE LYS 86 1HE LYS 86 16.578 -5.115 -6.196 691 1HZ LYS 86 1HZ LYS 86 14.858 -5.009 -8.618 692 2HZ LYS 86 2HZ LYS 86 14.659 -6.128 -7.355 693 3HZ LYS 86 3HZ LYS 86 16.078 -6.140 -8.290 694 H LYS 87 H LYS 87 14.353 -0.481 -4.565 695 HA LYS 87 HA LYS 87 17.093 -0.065 -4.866 696 1HB LYS 87 2HB LYS 87 15.116 0.408 -6.385 697 2HB LYS 87 1HB LYS 87 14.698 1.746 -5.314 698 1HG LYS 87 2HG LYS 87 16.569 3.015 -5.941 699 2HG LYS 87 1HG LYS 87 17.480 1.598 -6.464 700 1HD LYS 87 2HD LYS 87 16.083 1.349 -8.427 701 2HD LYS 87 1HD LYS 87 15.001 2.627 -7.870 702 1HE LYS 87 2HE LYS 87 17.385 3.956 -7.828 703 2HE LYS 87 1HE LYS 87 17.643 2.850 -9.193 704 1HZ LYS 87 1HZ LYS 87 15.306 4.643 -8.788 705 2HZ LYS 87 2HZ LYS 87 15.439 3.496 -10.035 706 3HZ LYS 87 3HZ LYS 87 16.510 4.814 -9.971 707 H ALA 88 H ALA 88 14.527 1.350 -2.899 708 HA ALA 88 HA ALA 88 16.407 3.300 -1.705 709 1HB ALA 88 1HB ALA 88 13.485 2.610 -1.270 710 2HB ALA 88 2HB ALA 88 14.121 3.949 -2.221 711 3HB ALA 88 3HB ALA 88 14.317 3.944 -0.470 712 H ALA 89 H ALA 89 15.139 0.126 -1.096 713 HA ALA 89 HA ALA 89 15.693 0.130 1.772 714 1HB ALA 89 1HB ALA 89 15.115 -2.245 1.573 715 2HB ALA 89 2HB ALA 89 15.294 -2.160 -0.180 716 3HB ALA 89 3HB ALA 89 13.980 -1.293 0.616 717 H GLU 90 H GLU 90 17.241 -1.183 -1.129 718 HA GLU 90 HA GLU 90 19.597 -2.223 0.112 719 1HB GLU 90 2HB GLU 90 18.733 -1.213 -2.568 720 2HB GLU 90 1HB GLU 90 20.470 -1.339 -2.290 721 1HG GLU 90 2HG GLU 90 18.691 -3.640 -1.547 722 2HG GLU 90 1HG GLU 90 19.152 -3.412 -3.234 723 H GLY 91 H GLY 91 18.402 0.972 -0.664 724 1HA GLY 91 2HA GLY 91 20.917 2.345 -0.278 725 2HA GLY 91 1HA GLY 91 19.333 3.091 -0.417 726 H LEU 92 H LEU 92 18.164 1.587 2.085 727 HA LEU 92 HA LEU 92 19.830 3.227 3.983 728 1HB LEU 92 2HB LEU 92 17.097 2.595 4.825 729 2HB LEU 92 1HB LEU 92 17.941 4.132 4.807 730 HG LEU 92 HG LEU 92 16.534 2.796 2.477 731 1HD1 LEU 92 1HD1 LEU 92 15.708 4.636 4.480 732 2HD1 LEU 92 2HD1 LEU 92 14.813 4.134 3.053 733 3HD1 LEU 92 3HD1 LEU 92 15.852 5.550 2.984 734 1HD2 LEU 92 1HD2 LEU 92 18.776 4.619 2.470 735 2HD2 LEU 92 2HD2 LEU 92 17.354 5.451 1.841 736 3HD2 LEU 92 3HD2 LEU 92 17.902 3.953 1.091 737 H LYS 93 H LYS 93 17.389 0.683 4.632 738 HA LYS 93 HA LYS 93 19.455 -0.540 6.436 739 1HB LYS 93 2HB LYS 93 16.473 -0.145 6.688 740 2HB LYS 93 1HB LYS 93 17.380 -1.204 7.769 741 1HG LYS 93 2HG LYS 93 17.998 1.731 7.312 742 2HG LYS 93 1HG LYS 93 17.115 1.094 8.699 743 1HD LYS 93 2HD LYS 93 19.152 -0.421 9.095 744 2HD LYS 93 1HD LYS 93 20.003 0.620 7.952 745 1HE LYS 93 2HE LYS 93 18.540 1.718 10.372 746 2HE LYS 93 1HE LYS 93 20.264 1.299 10.393 747 1HZ LYS 93 1HZ LYS 93 19.960 3.611 9.753 748 2HZ LYS 93 2HZ LYS 93 18.948 3.146 8.469 749 3HZ LYS 93 3HZ LYS 93 20.593 2.718 8.458 750 H TYR 94 H TYR 94 19.195 -1.458 3.736 751 HA TYR 94 HA TYR 94 17.522 -3.844 3.674 752 1HB TYR 94 2HB TYR 94 17.958 -3.253 1.515 753 2HB TYR 94 1HB TYR 94 19.405 -2.360 1.976 754 HD1 TYR 94 HD1 TYR 94 21.436 -3.162 1.207 755 HD2 TYR 94 HD2 TYR 94 18.210 -5.925 1.841 756 HE1 TYR 94 HE1 TYR 94 22.864 -5.016 0.395 757 HE2 TYR 94 HE2 TYR 94 19.640 -7.781 1.027 758 HH TYR 94 HH TYR 94 22.555 -7.259 -0.620 759 H GLU 95 H GLU 95 21.051 -3.335 3.818 760 HA GLU 95 HA GLU 95 21.664 -6.079 4.476 761 1HB GLU 95 2HB GLU 95 23.912 -5.158 4.856 762 2HB GLU 95 1HB GLU 95 23.210 -4.448 3.403 763 1HG GLU 95 2HG GLU 95 22.393 -2.547 4.951 764 2HG GLU 95 1HG GLU 95 23.535 -3.192 6.130 765 H ASP 96 H ASP 96 21.141 -3.134 6.373 766 HA ASP 96 HA ASP 96 21.934 -4.077 8.935 767 1HB ASP 96 2HB ASP 96 21.273 -1.735 8.189 768 2HB ASP 96 1HB ASP 96 19.592 -2.263 8.276 769 H PHE 97 H PHE 97 18.965 -4.503 7.074 770 HA PHE 97 HA PHE 97 17.514 -5.861 9.225 771 1HB PHE 97 2HB PHE 97 17.158 -5.107 6.365 772 2HB PHE 97 1HB PHE 97 16.201 -6.474 6.935 773 HD1 PHE 97 HD1 PHE 97 17.301 -3.183 8.382 774 HD2 PHE 97 HD2 PHE 97 14.055 -5.884 7.591 775 HE1 PHE 97 HE1 PHE 97 15.730 -1.623 9.496 776 HE2 PHE 97 HE2 PHE 97 12.485 -4.324 8.707 777 HZ PHE 97 HZ PHE 97 13.323 -2.194 9.660 778 H ALA 98 H ALA 98 19.672 -6.762 6.611 779 HA ALA 98 HA ALA 98 19.001 -9.577 6.517 780 1HB ALA 98 1HB ALA 98 20.591 -9.571 4.858 781 2HB ALA 98 2HB ALA 98 21.728 -8.629 5.822 782 3HB ALA 98 3HB ALA 98 20.398 -7.823 4.990 783 H LYS 99 H LYS 99 21.835 -7.877 7.876 784 HA LYS 99 HA LYS 99 22.915 -10.155 9.240 785 1HB LYS 99 2HB LYS 99 23.154 -7.169 9.742 786 2HB LYS 99 1HB LYS 99 24.235 -8.390 10.416 787 1HG LYS 99 2HG LYS 99 24.635 -9.137 7.988 788 2HG LYS 99 1HG LYS 99 23.869 -7.618 7.518 789 1HD LYS 99 2HD LYS 99 25.592 -6.644 9.324 790 2HD LYS 99 1HD LYS 99 26.497 -8.082 8.851 791 1HE LYS 99 2HE LYS 99 27.261 -6.672 7.190 792 2HE LYS 99 1HE LYS 99 25.752 -7.167 6.398 793 1HZ LYS 99 1HZ LYS 99 25.860 -4.768 6.502 794 2HZ LYS 99 2HZ LYS 99 26.110 -4.816 8.182 795 3HZ LYS 99 3HZ LYS 99 24.627 -5.322 7.525 796 1H MET 1 1H MET 1 -4.903 5.768 -9.882 797 2H MET 1 2H MET 1 -4.974 6.331 -11.484 798 3H MET 1 3H MET 1 -6.266 6.621 -10.420 799 HA MET 1 HA MET 1 -4.906 8.622 -10.728 800 1HB MET 1 2HB MET 1 -5.308 7.122 -8.176 801 2HB MET 1 1HB MET 1 -4.371 8.615 -8.099 802 1HG MET 1 2HG MET 1 -6.171 9.938 -8.641 803 2HG MET 1 1HG MET 1 -6.902 8.704 -9.666 804 1HE MET 1 1HE MET 1 -5.851 8.273 -5.629 805 2HE MET 1 2HE MET 1 -7.115 9.436 -5.234 806 3HE MET 1 3HE MET 1 -5.863 9.867 -6.396 807 H ASN 2 H ASN 2 -2.814 9.375 -9.076 808 HA ASN 2 HA ASN 2 -0.571 7.584 -9.070 809 1HB ASN 2 2HB ASN 2 -1.320 8.635 -11.583 810 2HB ASN 2 1HB ASN 2 0.131 9.518 -11.104 811 1HD2 ASN 2 1HD2 ASN 2 -0.386 7.189 -13.113 812 2HD2 ASN 2 2HD2 ASN 2 0.819 6.060 -12.716 813 H LYS 3 H LYS 3 1.590 9.177 -9.206 814 HA LYS 3 HA LYS 3 1.571 10.753 -6.863 815 1HB LYS 3 2HB LYS 3 3.426 9.856 -8.631 816 2HB LYS 3 1HB LYS 3 3.392 11.563 -9.068 817 1HG LYS 3 2HG LYS 3 4.763 11.940 -7.310 818 2HG LYS 3 1HG LYS 3 3.393 11.570 -6.266 819 1HD LYS 3 2HD LYS 3 4.263 9.574 -5.648 820 2HD LYS 3 1HD LYS 3 4.688 9.160 -7.303 821 1HE LYS 3 2HE LYS 3 6.319 10.831 -5.349 822 2HE LYS 3 1HE LYS 3 6.779 9.298 -6.106 823 1HZ LYS 3 1HZ LYS 3 6.740 11.974 -7.248 824 2HZ LYS 3 2HZ LYS 3 6.170 10.740 -8.262 825 3HZ LYS 3 3HZ LYS 3 7.738 10.655 -7.615 826 H THR 4 H THR 4 0.243 11.508 -9.958 827 HA THR 4 HA THR 4 0.189 14.438 -9.319 828 HB THR 4 HB THR 4 -0.255 12.793 -11.832 829 HG1 THR 4 HG1 THR 4 1.624 14.793 -11.119 830 1HG2 THR 4 1HG2 THR 4 -0.620 15.767 -11.381 831 2HG2 THR 4 2HG2 THR 4 -1.856 14.615 -11.885 832 3HG2 THR 4 3HG2 THR 4 -0.524 15.013 -12.972 833 H GLU 5 H GLU 5 -1.856 11.729 -10.385 834 HA GLU 5 HA GLU 5 -4.368 13.075 -10.164 835 1HB GLU 5 2HB GLU 5 -3.328 10.506 -10.787 836 2HB GLU 5 1HB GLU 5 -4.523 10.270 -9.517 837 1HG GLU 5 2HG GLU 5 -5.641 10.152 -11.676 838 2HG GLU 5 1HG GLU 5 -6.146 11.627 -10.853 839 H LEU 6 H LEU 6 -2.646 10.927 -7.872 840 HA LEU 6 HA LEU 6 -4.498 11.320 -5.694 841 1HB LEU 6 2HB LEU 6 -1.641 10.403 -6.016 842 2HB LEU 6 1HB LEU 6 -2.313 10.620 -4.402 843 HG LEU 6 HG LEU 6 -4.034 9.124 -6.287 844 1HD1 LEU 6 1HD1 LEU 6 -1.858 7.506 -5.068 845 2HD1 LEU 6 2HD1 LEU 6 -1.426 8.457 -6.489 846 3HD1 LEU 6 3HD1 LEU 6 -2.724 7.267 -6.586 847 1HD2 LEU 6 1HD2 LEU 6 -4.135 7.655 -4.185 848 2HD2 LEU 6 2HD2 LEU 6 -4.743 9.302 -4.013 849 3HD2 LEU 6 3HD2 LEU 6 -3.140 8.884 -3.405 850 H ILE 7 H ILE 7 -1.822 13.212 -6.968 851 HA ILE 7 HA ILE 7 -1.261 14.857 -4.716 852 HB ILE 7 HB ILE 7 -0.905 14.883 -7.638 853 1HG1 ILE 7 2HG1 ILE 7 0.663 15.992 -5.307 854 2HG1 ILE 7 1HG1 ILE 7 0.899 14.423 -6.055 855 1HG2 ILE 7 1HG2 ILE 7 -1.426 17.457 -6.151 856 2HG2 ILE 7 2HG2 ILE 7 -2.044 16.958 -7.724 857 3HG2 ILE 7 3HG2 ILE 7 -0.354 17.419 -7.548 858 1HD1 ILE 7 1HD1 ILE 7 1.657 17.122 -7.058 859 2HD1 ILE 7 2HD1 ILE 7 1.143 15.930 -8.253 860 3HD1 ILE 7 3HD1 ILE 7 2.518 15.589 -7.202 861 H LYS 8 H LYS 8 -3.456 15.498 -7.448 862 HA LYS 8 HA LYS 8 -4.805 17.695 -6.209 863 1HB LYS 8 2HB LYS 8 -5.986 17.698 -8.191 864 2HB LYS 8 1HB LYS 8 -4.708 16.592 -8.686 865 1HG LYS 8 2HG LYS 8 -6.258 14.731 -7.734 866 2HG LYS 8 1HG LYS 8 -7.526 15.951 -7.829 867 1HD LYS 8 2HD LYS 8 -7.640 15.821 -10.087 868 2HD LYS 8 1HD LYS 8 -5.886 15.800 -10.259 869 1HE LYS 8 2HE LYS 8 -6.091 13.602 -10.793 870 2HE LYS 8 1HE LYS 8 -6.504 13.319 -9.091 871 1HZ LYS 8 1HZ LYS 8 -8.254 12.574 -10.661 872 2HZ LYS 8 2HZ LYS 8 -8.451 14.187 -11.161 873 3HZ LYS 8 3HZ LYS 8 -8.796 13.743 -9.557 874 H ALA 9 H ALA 9 -5.169 14.205 -5.931 875 HA ALA 9 HA ALA 9 -7.804 14.079 -4.837 876 1HB ALA 9 1HB ALA 9 -7.104 11.918 -4.149 877 2HB ALA 9 2HB ALA 9 -5.435 12.441 -3.936 878 3HB ALA 9 3HB ALA 9 -6.103 12.264 -5.558 879 H ILE 10 H ILE 10 -4.654 14.887 -3.437 880 HA ILE 10 HA ILE 10 -5.890 15.275 -0.776 881 HB ILE 10 HB ILE 10 -3.337 14.464 -1.900 882 1HG1 ILE 10 2HG1 ILE 10 -2.917 13.832 0.496 883 2HG1 ILE 10 1HG1 ILE 10 -4.430 14.634 0.918 884 1HG2 ILE 10 1HG2 ILE 10 -2.745 16.878 -1.546 885 2HG2 ILE 10 2HG2 ILE 10 -1.794 15.767 -0.562 886 3HG2 ILE 10 3HG2 ILE 10 -3.120 16.670 0.164 887 1HD1 ILE 10 1HD1 ILE 10 -5.714 12.977 0.014 888 2HD1 ILE 10 2HD1 ILE 10 -4.263 12.002 0.247 889 3HD1 ILE 10 3HD1 ILE 10 -4.603 12.714 -1.330 890 H ALA 11 H ALA 11 -4.277 16.911 -3.465 891 HA ALA 11 HA ALA 11 -4.065 19.530 -2.317 892 1HB ALA 11 1HB ALA 11 -4.814 19.251 -5.168 893 2HB ALA 11 2HB ALA 11 -3.409 18.320 -4.654 894 3HB ALA 11 3HB ALA 11 -3.431 20.069 -4.446 895 H GLN 12 H GLN 12 -6.761 17.721 -3.629 896 HA GLN 12 HA GLN 12 -8.526 20.095 -3.549 897 1HB GLN 12 2HB GLN 12 -8.921 17.168 -4.287 898 2HB GLN 12 1HB GLN 12 -10.186 18.391 -4.412 899 1HG GLN 12 2HG GLN 12 -7.613 19.098 -5.699 900 2HG GLN 12 1HG GLN 12 -8.493 17.767 -6.451 901 1HE2 GLN 12 1HE2 GLN 12 -9.055 19.127 -8.318 902 2HE2 GLN 12 2HE2 GLN 12 -10.232 20.344 -8.185 903 H ASP 13 H ASP 13 -8.057 16.951 -1.911 904 HA ASP 13 HA ASP 13 -10.220 17.314 -0.019 905 1HB ASP 13 2HB ASP 13 -7.640 15.729 -0.112 906 2HB ASP 13 1HB ASP 13 -8.713 15.657 1.285 907 H THR 14 H THR 14 -7.029 18.565 -0.435 908 HA THR 14 HA THR 14 -6.860 19.695 2.291 909 HB THR 14 HB THR 14 -4.650 20.524 1.252 910 HG1 THR 14 HG1 THR 14 -4.345 20.201 -0.740 911 1HG2 THR 14 1HG2 THR 14 -5.347 18.086 2.347 912 2HG2 THR 14 2HG2 THR 14 -3.700 18.641 2.051 913 3HG2 THR 14 3HG2 THR 14 -4.519 17.639 0.859 914 H GLY 15 H GLY 15 -6.059 21.109 -0.880 915 1HA GLY 15 2HA GLY 15 -6.631 23.198 -1.807 916 2HA GLY 15 1HA GLY 15 -8.201 22.981 -1.036 917 H LEU 16 H LEU 16 -5.496 22.927 1.073 918 HA LEU 16 HA LEU 16 -6.362 25.452 2.353 919 1HB LEU 16 2HB LEU 16 -3.987 23.687 3.022 920 2HB LEU 16 1HB LEU 16 -4.808 24.818 4.094 921 HG LEU 16 HG LEU 16 -6.881 23.223 3.362 922 1HD1 LEU 16 1HD1 LEU 16 -5.024 21.833 2.169 923 2HD1 LEU 16 2HD1 LEU 16 -6.217 20.989 3.142 924 3HD1 LEU 16 3HD1 LEU 16 -4.621 21.303 3.791 925 1HD2 LEU 16 1HD2 LEU 16 -5.702 21.884 5.553 926 2HD2 LEU 16 2HD2 LEU 16 -6.871 23.200 5.633 927 3HD2 LEU 16 3HD2 LEU 16 -5.143 23.552 5.673 928 H THR 17 H THR 17 -3.297 24.126 1.237 929 HA THR 17 HA THR 17 -2.557 26.775 0.132 930 HB THR 17 HB THR 17 -1.756 25.829 2.590 931 HG1 THR 17 HG1 THR 17 -1.482 27.937 1.640 932 1HG2 THR 17 1HG2 THR 17 0.657 25.240 2.280 933 2HG2 THR 17 2HG2 THR 17 0.358 25.086 0.556 934 3HG2 THR 17 3HG2 THR 17 -0.459 24.015 1.693 935 H GLN 18 H GLN 18 -3.005 23.550 -0.422 936 HA GLN 18 HA GLN 18 -2.183 22.039 -2.037 937 1HB GLN 18 2HB GLN 18 -0.859 24.492 -3.240 938 2HB GLN 18 1HB GLN 18 -1.458 23.065 -4.086 939 1HG GLN 18 2HG GLN 18 -3.768 23.761 -3.051 940 2HG GLN 18 1HG GLN 18 -3.007 25.344 -2.892 941 1HE2 GLN 18 1HE2 GLN 18 -4.784 23.434 -5.035 942 2HE2 GLN 18 2HE2 GLN 18 -4.388 24.232 -6.480 943 H VAL 19 H VAL 19 -0.708 22.999 0.382 944 HA VAL 19 HA VAL 19 1.625 23.342 1.072 945 HB VAL 19 HB VAL 19 0.887 21.517 2.263 946 1HG1 VAL 19 1HG1 VAL 19 0.098 19.389 1.176 947 2HG1 VAL 19 2HG1 VAL 19 0.321 20.192 -0.379 948 3HG1 VAL 19 3HG1 VAL 19 -0.838 20.829 0.780 949 1HG2 VAL 19 1HG2 VAL 19 2.333 19.416 0.920 950 2HG2 VAL 19 2HG2 VAL 19 2.691 20.201 2.451 951 3HG2 VAL 19 3HG2 VAL 19 3.315 20.879 0.951 952 H SER 20 H SER 20 2.261 20.486 -0.725 953 HA SER 20 HA SER 20 3.900 21.934 -2.689 954 1HB SER 20 2HB SER 20 4.768 20.463 -0.394 955 2HB SER 20 1HB SER 20 5.211 19.548 -1.826 956 HG SER 20 HG SER 20 5.705 22.322 -1.463 957 H VAL 21 H VAL 21 1.267 20.364 -2.519 958 HA VAL 21 HA VAL 21 0.649 18.040 -3.267 959 HB VAL 21 HB VAL 21 -0.255 18.812 -5.491 960 1HG1 VAL 21 1HG1 VAL 21 -0.617 20.387 -2.953 961 2HG1 VAL 21 2HG1 VAL 21 -1.675 19.156 -3.644 962 3HG1 VAL 21 3HG1 VAL 21 -1.569 20.750 -4.393 963 1HG2 VAL 21 1HG2 VAL 21 1.425 20.336 -6.248 964 2HG2 VAL 21 2HG2 VAL 21 1.362 21.255 -4.744 965 3HG2 VAL 21 3HG2 VAL 21 0.011 21.320 -5.874 966 H SER 22 H SER 22 2.955 19.784 -5.184 967 HA SER 22 HA SER 22 3.681 17.422 -6.806 968 1HB SER 22 2HB SER 22 5.136 20.064 -6.530 969 2HB SER 22 1HB SER 22 5.156 18.968 -7.909 970 HG SER 22 HG SER 22 2.908 19.405 -8.150 971 H LYS 23 H LYS 23 5.078 19.241 -4.095 972 HA LYS 23 HA LYS 23 7.373 17.406 -4.003 973 1HB LYS 23 2HB LYS 23 8.254 19.408 -3.457 974 2HB LYS 23 1HB LYS 23 6.669 20.098 -3.145 975 1HG LYS 23 2HG LYS 23 7.866 20.212 -1.080 976 2HG LYS 23 1HG LYS 23 6.728 18.879 -0.898 977 1HD LYS 23 2HD LYS 23 8.716 17.431 -1.829 978 2HD LYS 23 1HD LYS 23 9.700 18.789 -1.283 979 1HE LYS 23 2HE LYS 23 8.401 18.573 0.958 980 2HE LYS 23 1HE LYS 23 7.951 16.961 0.365 981 1HZ LYS 23 1HZ LYS 23 10.136 16.279 0.266 982 2HZ LYS 23 2HZ LYS 23 10.183 17.273 1.642 983 3HZ LYS 23 3HZ LYS 23 10.751 17.855 0.153 984 H MET 24 H MET 24 4.246 17.825 -2.294 985 HA MET 24 HA MET 24 5.191 16.202 -0.048 986 1HB MET 24 2HB MET 24 2.453 16.032 0.037 987 2HB MET 24 1HB MET 24 3.396 17.312 0.784 988 1HG MET 24 2HG MET 24 2.739 18.866 -0.758 989 2HG MET 24 1HG MET 24 2.721 17.704 -2.080 990 1HE MET 24 1HE MET 24 -0.012 16.276 -2.686 991 2HE MET 24 2HE MET 24 0.233 15.351 -1.207 992 3HE MET 24 3HE MET 24 1.625 15.889 -2.142 993 H LEU 25 H LEU 25 3.368 15.610 -3.111 994 HA LEU 25 HA LEU 25 3.093 12.765 -2.438 995 1HB LEU 25 2HB LEU 25 2.619 14.488 -4.869 996 2HB LEU 25 1HB LEU 25 2.468 12.735 -4.957 997 HG LEU 25 HG LEU 25 0.645 14.707 -3.794 998 1HD1 LEU 25 1HD1 LEU 25 0.080 13.019 -5.552 999 2HD1 LEU 25 2HD1 LEU 25 -0.965 12.893 -4.139 1000 3HD1 LEU 25 3HD1 LEU 25 0.348 11.741 -4.369 1001 1HD2 LEU 25 1HD2 LEU 25 -0.057 13.341 -1.865 1002 2HD2 LEU 25 2HD2 LEU 25 1.611 13.876 -1.664 1003 3HD2 LEU 25 3HD2 LEU 25 1.269 12.219 -2.165 1004 H ALA 26 H ALA 26 5.309 14.804 -4.315 1005 HA ALA 26 HA ALA 26 6.856 12.649 -5.458 1006 1HB ALA 26 1HB ALA 26 7.039 14.931 -6.283 1007 2HB ALA 26 2HB ALA 26 8.599 14.501 -5.580 1008 3HB ALA 26 3HB ALA 26 7.476 15.520 -4.680 1009 H SER 27 H SER 27 6.816 14.381 -2.396 1010 HA SER 27 HA SER 27 9.195 13.041 -1.325 1011 1HB SER 27 2HB SER 27 8.626 15.290 -0.597 1012 2HB SER 27 1HB SER 27 7.000 14.777 -0.152 1013 HG SER 27 HG SER 27 7.885 13.502 1.463 1014 H PHE 28 H PHE 28 5.692 12.694 -1.280 1015 HA PHE 28 HA PHE 28 5.309 10.857 0.835 1016 1HB PHE 28 2HB PHE 28 3.368 11.635 -0.192 1017 2HB PHE 28 1HB PHE 28 4.061 11.509 -1.800 1018 HD1 PHE 28 HD1 PHE 28 4.283 9.207 -2.885 1019 HD2 PHE 28 HD2 PHE 28 2.072 9.868 0.740 1020 HE1 PHE 28 HE1 PHE 28 3.039 7.121 -3.262 1021 HE2 PHE 28 HE2 PHE 28 0.834 7.781 0.362 1022 HZ PHE 28 HZ PHE 28 1.311 6.392 -1.628 1023 H GLU 29 H GLU 29 6.196 10.229 -2.571 1024 HA GLU 29 HA GLU 29 6.554 7.393 -2.141 1025 1HB GLU 29 2HB GLU 29 6.214 8.480 -4.360 1026 2HB GLU 29 1HB GLU 29 7.777 9.286 -4.176 1027 1HG GLU 29 2HG GLU 29 8.174 6.537 -3.594 1028 2HG GLU 29 1HG GLU 29 7.245 6.629 -5.083 1029 H LYS 30 H LYS 30 8.504 10.316 -1.932 1030 HA LYS 30 HA LYS 30 11.044 9.061 -1.495 1031 1HB LYS 30 2HB LYS 30 10.374 11.529 -2.009 1032 2HB LYS 30 1HB LYS 30 10.155 11.668 -0.263 1033 1HG LYS 30 2HG LYS 30 12.392 11.484 0.174 1034 2HG LYS 30 1HG LYS 30 12.666 10.366 -1.163 1035 1HD LYS 30 2HD LYS 30 13.161 12.039 -2.618 1036 2HD LYS 30 1HD LYS 30 11.856 13.065 -2.022 1037 1HE LYS 30 2HE LYS 30 13.214 14.134 -0.507 1038 2HE LYS 30 1HE LYS 30 14.158 12.668 -0.171 1039 1HZ LYS 30 1HZ LYS 30 15.279 12.860 -2.232 1040 2HZ LYS 30 2HZ LYS 30 15.348 14.400 -1.518 1041 3HZ LYS 30 3HZ LYS 30 14.245 14.090 -2.773 1042 H ILE 31 H ILE 31 8.204 9.398 0.486 1043 HA ILE 31 HA ILE 31 9.823 8.596 2.859 1044 HB ILE 31 HB ILE 31 7.613 9.188 4.025 1045 1HG1 ILE 31 2HG1 ILE 31 6.671 11.225 2.536 1046 2HG1 ILE 31 1HG1 ILE 31 7.031 10.038 1.297 1047 1HG2 ILE 31 1HG2 ILE 31 9.630 11.012 2.811 1048 2HG2 ILE 31 2HG2 ILE 31 9.382 10.597 4.507 1049 3HG2 ILE 31 3HG2 ILE 31 8.285 11.722 3.704 1050 1HD1 ILE 31 1HD1 ILE 31 5.872 8.411 3.091 1051 2HD1 ILE 31 2HD1 ILE 31 4.944 9.265 1.859 1052 3HD1 ILE 31 3HD1 ILE 31 5.045 9.914 3.495 1053 H ILE 32 H ILE 32 7.290 7.695 0.691 1054 HA ILE 32 HA ILE 32 6.389 5.338 2.143 1055 HB ILE 32 HB ILE 32 6.298 6.051 -0.802 1056 1HG1 ILE 32 2HG1 ILE 32 5.061 7.362 1.321 1057 2HG1 ILE 32 1HG1 ILE 32 4.535 7.413 -0.360 1058 1HG2 ILE 32 1HG2 ILE 32 4.848 3.977 0.865 1059 2HG2 ILE 32 2HG2 ILE 32 5.926 3.694 -0.501 1060 3HG2 ILE 32 3HG2 ILE 32 4.347 4.434 -0.762 1061 1HD1 ILE 32 1HD1 ILE 32 2.748 6.764 1.325 1062 2HD1 ILE 32 2HD1 ILE 32 3.644 5.266 1.572 1063 3HD1 ILE 32 3HD1 ILE 32 2.969 5.639 -0.015 1064 H THR 33 H THR 33 8.276 5.861 -0.796 1065 HA THR 33 HA THR 33 9.349 3.232 -0.852 1066 HB THR 33 HB THR 33 9.380 5.686 -2.380 1067 HG1 THR 33 HG1 THR 33 8.595 3.926 -3.334 1068 1HG2 THR 33 1HG2 THR 33 11.692 5.922 -1.795 1069 2HG2 THR 33 2HG2 THR 33 11.617 5.285 -3.439 1070 3HG2 THR 33 3HG2 THR 33 11.991 4.210 -2.092 1071 H GLU 34 H GLU 34 10.495 6.359 0.427 1072 HA GLU 34 HA GLU 34 13.109 5.316 1.157 1073 1HB GLU 34 2HB GLU 34 11.474 7.755 1.824 1074 2HB GLU 34 1HB GLU 34 13.144 7.554 2.339 1075 1HG GLU 34 2HG GLU 34 12.223 7.393 -0.559 1076 2HG GLU 34 1HG GLU 34 12.956 8.825 0.166 1077 H THR 35 H THR 35 9.944 5.484 2.869 1078 HA THR 35 HA THR 35 11.149 5.098 5.493 1079 HB THR 35 HB THR 35 8.385 4.641 4.369 1080 HG1 THR 35 HG1 THR 35 8.974 6.765 4.835 1081 1HG2 THR 35 1HG2 THR 35 9.637 3.710 6.914 1082 2HG2 THR 35 2HG2 THR 35 8.353 2.965 5.967 1083 3HG2 THR 35 3HG2 THR 35 7.994 4.342 7.012 1084 H VAL 36 H VAL 36 9.316 2.805 3.415 1085 HA VAL 36 HA VAL 36 9.963 0.459 4.864 1086 HB VAL 36 HB VAL 36 9.238 1.239 2.095 1087 1HG1 VAL 36 1HG1 VAL 36 9.604 -1.319 1.506 1088 2HG1 VAL 36 2HG1 VAL 36 10.892 -1.185 2.694 1089 3HG1 VAL 36 3HG1 VAL 36 10.902 -0.152 1.269 1090 1HG2 VAL 36 1HG2 VAL 36 7.403 -0.106 2.525 1091 2HG2 VAL 36 2HG2 VAL 36 7.859 0.334 4.170 1092 3HG2 VAL 36 3HG2 VAL 36 8.331 -1.233 3.513 1093 H ALA 37 H ALA 37 11.694 2.187 2.342 1094 HA ALA 37 HA ALA 37 14.025 0.560 2.171 1095 1HB ALA 37 1HB ALA 37 13.218 3.398 1.656 1096 2HB ALA 37 2HB ALA 37 13.697 2.153 0.507 1097 3HB ALA 37 3HB ALA 37 14.911 2.955 1.499 1098 H LYS 38 H LYS 38 12.917 2.979 4.451 1099 HA LYS 38 HA LYS 38 15.516 3.320 5.789 1100 1HB LYS 38 2HB LYS 38 12.998 4.600 5.730 1101 2HB LYS 38 1HB LYS 38 13.127 3.931 7.353 1102 1HG LYS 38 2HG LYS 38 14.895 5.282 7.922 1103 2HG LYS 38 1HG LYS 38 15.532 5.320 6.278 1104 1HD LYS 38 2HD LYS 38 12.955 6.701 7.056 1105 2HD LYS 38 1HD LYS 38 14.522 7.507 7.124 1106 1HE LYS 38 2HE LYS 38 14.360 6.223 4.579 1107 2HE LYS 38 1HE LYS 38 12.846 7.114 4.826 1108 1HZ LYS 38 1HZ LYS 38 14.548 8.585 3.953 1109 2HZ LYS 38 2HZ LYS 38 15.591 8.185 5.233 1110 3HZ LYS 38 3HZ LYS 38 14.153 9.035 5.539 1111 H GLY 39 H GLY 39 12.637 1.414 5.948 1112 1HA GLY 39 2HA GLY 39 12.900 -0.869 6.687 1113 2HA GLY 39 1HA GLY 39 13.975 -0.277 7.949 1114 H ASP 40 H ASP 40 11.069 1.504 7.232 1115 HA ASP 40 HA ASP 40 10.023 0.703 9.920 1116 1HB ASP 40 2HB ASP 40 10.356 3.138 8.582 1117 2HB ASP 40 1HB ASP 40 8.619 2.840 8.522 1118 H LYS 41 H LYS 41 7.698 0.237 10.105 1119 HA LYS 41 HA LYS 41 6.694 -1.271 7.756 1120 1HB LYS 41 2HB LYS 41 5.823 -1.073 10.659 1121 2HB LYS 41 1HB LYS 41 5.145 -2.194 9.479 1122 1HG LYS 41 2HG LYS 41 6.803 -3.647 9.924 1123 2HG LYS 41 1HG LYS 41 7.979 -2.460 9.358 1124 1HD LYS 41 2HD LYS 41 8.621 -2.952 11.598 1125 2HD LYS 41 1HD LYS 41 7.794 -1.397 11.686 1126 1HE LYS 41 2HE LYS 41 5.654 -2.945 12.068 1127 2HE LYS 41 1HE LYS 41 6.885 -4.079 12.660 1128 1HZ LYS 41 1HZ LYS 41 6.257 -2.676 14.472 1129 2HZ LYS 41 2HZ LYS 41 6.466 -1.272 13.537 1130 3HZ LYS 41 3HZ LYS 41 7.812 -2.210 13.980 1131 H VAL 42 H VAL 42 5.923 0.503 6.458 1132 HA VAL 42 HA VAL 42 4.235 2.624 7.346 1133 HB VAL 42 HB VAL 42 4.366 1.152 4.690 1134 1HG1 VAL 42 1HG1 VAL 42 2.498 2.473 4.389 1135 2HG1 VAL 42 2HG1 VAL 42 3.743 3.664 4.014 1136 3HG1 VAL 42 3HG1 VAL 42 2.997 3.642 5.611 1137 1HG2 VAL 42 1HG2 VAL 42 5.752 3.721 5.491 1138 2HG2 VAL 42 2HG2 VAL 42 6.055 2.725 4.067 1139 3HG2 VAL 42 3HG2 VAL 42 6.520 2.142 5.664 1140 H GLN 43 H GLN 43 2.249 2.395 8.305 1141 HA GLN 43 HA GLN 43 0.499 0.127 7.397 1142 1HB GLN 43 2HB GLN 43 0.579 1.421 10.139 1143 2HB GLN 43 1HB GLN 43 -0.210 -0.090 9.691 1144 1HG GLN 43 2HG GLN 43 2.399 -0.531 8.902 1145 2HG GLN 43 1HG GLN 43 2.603 0.422 10.372 1146 1HE2 GLN 43 1HE2 GLN 43 0.309 -0.482 11.828 1147 2HE2 GLN 43 2HE2 GLN 43 0.519 -2.126 12.193 1148 H LEU 44 H LEU 44 -0.687 1.464 5.902 1149 HA LEU 44 HA LEU 44 -1.709 4.070 6.491 1150 1HB LEU 44 2HB LEU 44 -2.755 1.864 4.692 1151 2HB LEU 44 1HB LEU 44 -3.192 3.564 4.567 1152 HG LEU 44 HG LEU 44 -0.404 2.412 4.227 1153 1HD1 LEU 44 1HD1 LEU 44 -1.268 3.934 1.985 1154 2HD1 LEU 44 2HD1 LEU 44 -2.578 2.831 2.384 1155 3HD1 LEU 44 3HD1 LEU 44 -0.968 2.205 2.058 1156 1HD2 LEU 44 1HD2 LEU 44 -0.102 4.907 3.416 1157 2HD2 LEU 44 2HD2 LEU 44 -0.001 4.514 5.133 1158 3HD2 LEU 44 3HD2 LEU 44 -1.485 5.197 4.472 1159 H THR 45 H THR 45 -2.786 4.235 8.455 1160 HA THR 45 HA THR 45 -4.317 3.699 10.187 1161 HB THR 45 HB THR 45 -5.668 5.158 8.995 1162 HG1 THR 45 HG1 THR 45 -7.631 4.311 9.180 1163 1HG2 THR 45 1HG2 THR 45 -4.887 4.586 6.750 1164 2HG2 THR 45 2HG2 THR 45 -6.646 4.655 6.776 1165 3HG2 THR 45 3HG2 THR 45 -5.828 3.098 6.782 1166 H GLY 46 H GLY 46 -6.366 1.910 7.951 1167 1HA GLY 46 2HA GLY 46 -5.439 -0.641 9.155 1168 2HA GLY 46 1HA GLY 46 -7.135 -0.196 9.324 1169 H PHE 47 H PHE 47 -5.561 0.720 6.336 1170 HA PHE 47 HA PHE 47 -6.937 -1.592 5.033 1171 1HB PHE 47 2HB PHE 47 -7.763 -0.176 3.358 1172 2HB PHE 47 1HB PHE 47 -7.940 0.770 4.830 1173 HD1 PHE 47 HD1 PHE 47 -6.678 2.755 5.196 1174 HD2 PHE 47 HD2 PHE 47 -5.918 0.309 1.759 1175 HE1 PHE 47 HE1 PHE 47 -5.306 4.564 4.219 1176 HE2 PHE 47 HE2 PHE 47 -4.543 2.117 0.780 1177 HZ PHE 47 HZ PHE 47 -4.228 4.237 2.019 1178 H LEU 48 H LEU 48 -3.948 0.234 5.207 1179 HA LEU 48 HA LEU 48 -2.847 -1.731 3.260 1180 1HB LEU 48 2HB LEU 48 -2.974 1.163 3.139 1181 2HB LEU 48 1HB LEU 48 -1.326 0.574 2.976 1182 HG LEU 48 HG LEU 48 -3.566 0.440 1.108 1183 1HD1 LEU 48 1HD1 LEU 48 -1.732 1.424 0.154 1184 2HD1 LEU 48 2HD1 LEU 48 -1.356 -0.241 -0.290 1185 3HD1 LEU 48 3HD1 LEU 48 -0.598 0.485 1.127 1186 1HD2 LEU 48 1HD2 LEU 48 -2.021 -2.083 1.753 1187 2HD2 LEU 48 2HD2 LEU 48 -2.716 -1.804 0.158 1188 3HD2 LEU 48 3HD2 LEU 48 -3.766 -1.887 1.571 1189 H ASN 49 H ASN 49 -0.920 -2.639 3.815 1190 HA ASN 49 HA ASN 49 0.671 -1.476 6.054 1191 1HB ASN 49 2HB ASN 49 -1.187 -3.434 6.459 1192 2HB ASN 49 1HB ASN 49 0.236 -4.409 6.093 1193 1HD2 ASN 49 1HD2 ASN 49 2.122 -4.186 7.530 1194 2HD2 ASN 49 2HD2 ASN 49 1.957 -3.512 9.080 1195 H ILE 50 H ILE 50 2.702 -1.308 5.178 1196 HA ILE 50 HA ILE 50 3.653 -3.446 3.288 1197 HB ILE 50 HB ILE 50 4.786 -0.662 3.521 1198 1HG1 ILE 50 2HG1 ILE 50 2.362 -0.332 3.281 1199 2HG1 ILE 50 1HG1 ILE 50 3.186 0.090 1.782 1200 1HG2 ILE 50 1HG2 ILE 50 4.401 -2.036 0.922 1201 2HG2 ILE 50 2HG2 ILE 50 5.537 -2.798 2.033 1202 3HG2 ILE 50 3HG2 ILE 50 5.787 -1.128 1.525 1203 1HD1 ILE 50 1HD1 ILE 50 2.513 -1.924 0.718 1204 2HD1 ILE 50 2HD1 ILE 50 1.076 -1.353 1.565 1205 3HD1 ILE 50 3HD1 ILE 50 2.039 -2.663 2.246 1206 H LYS 51 H LYS 51 5.803 -4.322 3.644 1207 HA LYS 51 HA LYS 51 7.452 -3.146 5.809 1208 1HB LYS 51 2HB LYS 51 7.411 -5.332 7.081 1209 2HB LYS 51 1HB LYS 51 5.882 -4.456 7.094 1210 1HG LYS 51 2HG LYS 51 4.937 -5.902 5.433 1211 2HG LYS 51 1HG LYS 51 6.502 -6.635 5.089 1212 1HD LYS 51 2HD LYS 51 5.264 -6.775 7.836 1213 2HD LYS 51 1HD LYS 51 4.907 -7.976 6.595 1214 1HE LYS 51 2HE LYS 51 7.202 -8.664 6.460 1215 2HE LYS 51 1HE LYS 51 7.741 -7.269 7.418 1216 1HZ LYS 51 1HZ LYS 51 5.872 -9.373 8.377 1217 2HZ LYS 51 2HZ LYS 51 6.457 -8.059 9.283 1218 3HZ LYS 51 3HZ LYS 51 7.518 -9.288 8.779 1219 HA PRO 52 HA PRO 52 10.256 -5.091 2.925 1220 1HB PRO 52 2HB PRO 52 12.509 -3.800 3.734 1221 2HB PRO 52 1HB PRO 52 11.271 -3.036 2.721 1222 1HG PRO 52 2HG PRO 52 11.888 -2.624 5.563 1223 2HG PRO 52 1HG PRO 52 11.111 -1.542 4.408 1224 1HD PRO 52 2HD PRO 52 9.842 -3.109 6.401 1225 2HD PRO 52 1HD PRO 52 9.061 -2.143 5.133 1226 H VAL 53 H VAL 53 11.855 -6.698 3.021 1227 HA VAL 53 HA VAL 53 12.876 -7.480 5.685 1228 HB VAL 53 HB VAL 53 12.189 -9.807 5.246 1229 1HG1 VAL 53 1HG1 VAL 53 9.733 -8.118 4.833 1230 2HG1 VAL 53 2HG1 VAL 53 10.681 -7.925 6.307 1231 3HG1 VAL 53 3HG1 VAL 53 9.965 -9.489 5.917 1232 1HG2 VAL 53 1HG2 VAL 53 11.750 -10.375 3.101 1233 2HG2 VAL 53 2HG2 VAL 53 11.707 -8.681 2.625 1234 3HG2 VAL 53 3HG2 VAL 53 10.246 -9.459 3.224 1235 H ALA 54 H ALA 54 14.999 -7.504 5.467 1236 HA ALA 54 HA ALA 54 16.533 -7.388 3.149 1237 1HB ALA 54 1HB ALA 54 17.087 -8.534 5.886 1238 2HB ALA 54 2HB ALA 54 17.470 -6.920 5.288 1239 3HB ALA 54 3HB ALA 54 18.350 -8.320 4.675 1240 H ARG 55 H ARG 55 17.937 -8.941 2.150 1241 HA ARG 55 HA ARG 55 17.724 -11.796 2.448 1242 1HB ARG 55 2HB ARG 55 16.442 -12.159 0.300 1243 2HB ARG 55 1HB ARG 55 15.471 -11.420 1.572 1244 1HG ARG 55 2HG ARG 55 15.719 -9.229 0.591 1245 2HG ARG 55 1HG ARG 55 16.904 -9.827 -0.571 1246 1HD ARG 55 2HD ARG 55 14.274 -11.222 -0.566 1247 2HD ARG 55 1HD ARG 55 14.289 -9.565 -1.200 1248 HE ARG 55 HE ARG 55 16.377 -11.467 -2.143 1249 1HH1 ARG 55 1HH2 ARG 55 14.990 -8.621 -2.952 1250 2HH1 ARG 55 2HH2 ARG 55 14.492 -9.065 -4.550 1251 1HH2 ARG 55 1HH1 ARG 55 15.136 -12.441 -4.100 1252 2HH2 ARG 55 2HH1 ARG 55 14.574 -11.227 -5.200 1253 H GLN 56 H GLN 56 19.947 -10.418 2.356 1254 HA GLN 56 HA GLN 56 21.116 -9.418 0.066 1255 1HB GLN 56 2HB GLN 56 23.248 -10.247 1.065 1256 2HB GLN 56 1HB GLN 56 22.190 -9.438 2.221 1257 1HG GLN 56 2HG GLN 56 21.429 -11.546 3.114 1258 2HG GLN 56 1HG GLN 56 22.240 -12.442 1.830 1259 1HE2 GLN 56 1HE2 GLN 56 23.490 -9.711 3.813 1260 2HE2 GLN 56 2HE2 GLN 56 24.804 -10.578 4.449 1261 H ALA 57 H ALA 57 22.952 -10.486 -1.162 1262 HA ALA 57 HA ALA 57 21.913 -12.417 -2.961 1263 1HB ALA 57 1HB ALA 57 24.420 -12.459 -3.612 1264 2HB ALA 57 2HB ALA 57 24.619 -11.269 -2.326 1265 3HB ALA 57 3HB ALA 57 23.568 -10.918 -3.695 1266 H ARG 58 H ARG 58 23.647 -14.284 -3.499 1267 HA ARG 58 HA ARG 58 24.812 -15.892 -1.457 1268 1HB ARG 58 2HB ARG 58 22.792 -17.618 -1.544 1269 2HB ARG 58 1HB ARG 58 22.694 -16.247 -0.448 1270 1HG ARG 58 2HG ARG 58 20.606 -16.576 -1.731 1271 2HG ARG 58 1HG ARG 58 21.342 -15.015 -2.068 1272 1HD ARG 58 2HD ARG 58 22.320 -17.097 -3.874 1273 2HD ARG 58 1HD ARG 58 20.586 -16.874 -3.970 1274 HE ARG 58 HE ARG 58 21.283 -14.314 -4.014 1275 1HH1 ARG 58 1HH2 ARG 58 22.567 -17.021 -5.752 1276 2HH1 ARG 58 2HH2 ARG 58 23.371 -16.039 -6.925 1277 1HH2 ARG 58 1HH1 ARG 58 22.473 -13.041 -5.450 1278 2HH2 ARG 58 2HH1 ARG 58 23.320 -13.800 -6.756 1279 H LYS 59 H LYS 59 23.887 -18.450 -2.627 1280 HA LYS 59 HA LYS 59 23.807 -18.521 -5.438 1281 1HB LYS 59 2HB LYS 59 26.198 -19.012 -5.953 1282 2HB LYS 59 1HB LYS 59 25.925 -17.360 -5.414 1283 1HG LYS 59 2HG LYS 59 26.440 -18.366 -3.026 1284 2HG LYS 59 1HG LYS 59 27.242 -19.633 -3.956 1285 1HD LYS 59 2HD LYS 59 28.899 -18.230 -4.702 1286 2HD LYS 59 1HD LYS 59 27.832 -16.824 -4.744 1287 1HE LYS 59 2HE LYS 59 27.847 -17.117 -2.109 1288 2HE LYS 59 1HE LYS 59 29.380 -17.951 -2.432 1289 1HZ LYS 59 1HZ LYS 59 29.699 -15.548 -2.180 1290 2HZ LYS 59 2HZ LYS 59 28.635 -15.268 -3.475 1291 3HZ LYS 59 3HZ LYS 59 30.109 -16.071 -3.741 1292 H GLY 60 H GLY 60 22.510 -20.312 -4.844 1293 1HA GLY 60 2HA GLY 60 22.044 -22.548 -4.280 1294 2HA GLY 60 1HA GLY 60 23.569 -22.866 -5.103 1295 H PHE 61 H PHE 61 22.838 -21.222 -1.984 1296 HA PHE 61 HA PHE 61 24.960 -22.872 -0.838 1297 1HB PHE 61 2HB PHE 61 25.456 -21.036 0.382 1298 2HB PHE 61 1HB PHE 61 24.323 -20.206 -0.680 1299 HD1 PHE 61 HD1 PHE 61 24.403 -22.259 2.482 1300 HD2 PHE 61 HD2 PHE 61 22.421 -19.186 0.230 1301 HE1 PHE 61 HE1 PHE 61 22.953 -21.777 4.391 1302 HE2 PHE 61 HE2 PHE 61 20.969 -18.709 2.151 1303 HZ PHE 61 HZ PHE 61 21.229 -19.996 4.246 1304 H ASN 62 H ASN 62 24.668 -24.463 0.575 1305 HA ASN 62 HA ASN 62 22.011 -24.735 1.889 1306 1HB ASN 62 2HB ASN 62 21.733 -26.832 1.001 1307 2HB ASN 62 1HB ASN 62 22.699 -26.100 -0.276 1308 1HD2 ASN 62 1HD2 ASN 62 23.034 -28.122 2.684 1309 2HD2 ASN 62 2HD2 ASN 62 24.439 -28.918 2.160 1310 HA PRO 63 HA PRO 63 25.290 -26.950 4.592 1311 1HB PRO 63 2HB PRO 63 27.852 -25.999 4.478 1312 2HB PRO 63 1HB PRO 63 27.274 -27.362 3.499 1313 1HG PRO 63 2HG PRO 63 27.741 -24.543 2.726 1314 2HG PRO 63 1HG PRO 63 27.943 -26.026 1.782 1315 1HD PRO 63 2HD PRO 63 25.819 -24.286 1.565 1316 2HD PRO 63 1HD PRO 63 25.794 -25.984 1.043 1317 H GLN 64 H GLN 64 25.020 -23.601 3.907 1318 HA GLN 64 HA GLN 64 25.974 -22.689 6.531 1319 1HB GLN 64 2HB GLN 64 25.494 -21.619 3.950 1320 2HB GLN 64 1HB GLN 64 24.432 -20.765 5.069 1321 1HG GLN 64 2HG GLN 64 26.634 -20.696 6.560 1322 2HG GLN 64 1HG GLN 64 27.417 -20.854 4.987 1323 1HE2 GLN 64 1HE2 GLN 64 28.180 -18.549 5.481 1324 2HE2 GLN 64 2HE2 GLN 64 27.137 -17.267 5.096 1325 H THR 65 H THR 65 24.148 -24.584 7.058 1326 HA THR 65 HA THR 65 22.134 -25.027 8.182 1327 HB THR 65 HB THR 65 21.573 -23.396 9.784 1328 HG1 THR 65 HG1 THR 65 22.646 -21.326 8.208 1329 1HG2 THR 65 1HG2 THR 65 24.333 -22.472 8.968 1330 2HG2 THR 65 2HG2 THR 65 24.039 -24.022 9.757 1331 3HG2 THR 65 3HG2 THR 65 23.645 -22.519 10.591 1332 H GLN 66 H GLN 66 21.869 -24.617 5.361 1333 HA GLN 66 HA GLN 66 19.065 -23.801 5.227 1334 1HB GLN 66 2HB GLN 66 21.245 -22.086 4.649 1335 2HB GLN 66 1HB GLN 66 20.354 -22.379 3.166 1336 1HG GLN 66 2HG GLN 66 19.036 -20.683 3.946 1337 2HG GLN 66 1HG GLN 66 18.297 -21.975 4.887 1338 1HE2 GLN 66 1HE2 GLN 66 21.562 -21.197 5.888 1339 2HE2 GLN 66 2HE2 GLN 66 21.134 -20.282 7.247 1340 H GLU 67 H GLU 67 19.044 -23.515 2.438 1341 HA GLU 67 HA GLU 67 19.944 -26.156 1.417 1342 1HB GLU 67 2HB GLU 67 17.505 -26.087 1.924 1343 2HB GLU 67 1HB GLU 67 17.346 -24.650 0.912 1344 1HG GLU 67 2HG GLU 67 17.645 -25.831 -1.057 1345 2HG GLU 67 1HG GLU 67 18.607 -27.088 -0.279 1346 H ALA 68 H ALA 68 20.907 -25.953 -0.588 1347 HA ALA 68 HA ALA 68 22.149 -23.657 -1.489 1348 1HB ALA 68 1HB ALA 68 22.057 -26.207 -2.242 1349 2HB ALA 68 2HB ALA 68 22.741 -24.948 -3.271 1350 3HB ALA 68 3HB ALA 68 21.092 -25.513 -3.544 1351 H LEU 69 H LEU 69 21.402 -21.737 -2.204 1352 HA LEU 69 HA LEU 69 18.670 -21.663 -3.485 1353 1HB LEU 69 2HB LEU 69 20.114 -19.514 -1.906 1354 2HB LEU 69 1HB LEU 69 18.429 -19.485 -2.427 1355 HG LEU 69 HG LEU 69 18.772 -21.926 -1.071 1356 1HD1 LEU 69 1HD1 LEU 69 20.025 -19.591 0.395 1357 2HD1 LEU 69 2HD1 LEU 69 20.812 -21.106 -0.048 1358 3HD1 LEU 69 3HD1 LEU 69 19.537 -21.098 1.170 1359 1HD2 LEU 69 1HD2 LEU 69 17.542 -19.331 -0.100 1360 2HD2 LEU 69 2HD2 LEU 69 17.173 -20.945 0.510 1361 3HD2 LEU 69 3HD2 LEU 69 16.742 -20.507 -1.143 1362 H GLU 70 H GLU 70 19.122 -18.758 -4.050 1363 HA GLU 70 HA GLU 70 21.310 -18.214 -5.783 1364 1HB GLU 70 2HB GLU 70 20.123 -18.681 -7.986 1365 2HB GLU 70 1HB GLU 70 20.572 -20.127 -7.088 1366 1HG GLU 70 2HG GLU 70 18.390 -20.656 -6.580 1367 2HG GLU 70 1HG GLU 70 17.885 -18.967 -6.529 1368 H ILE 71 H ILE 71 18.967 -17.114 -4.040 1369 HA ILE 71 HA ILE 71 17.253 -15.396 -5.502 1370 HB ILE 71 HB ILE 71 16.888 -14.396 -3.351 1371 1HG1 ILE 71 2HG1 ILE 71 18.961 -15.463 -1.716 1372 2HG1 ILE 71 1HG1 ILE 71 19.733 -14.714 -3.107 1373 1HG2 ILE 71 1HG2 ILE 71 17.874 -17.044 -2.401 1374 2HG2 ILE 71 2HG2 ILE 71 16.664 -17.040 -3.683 1375 3HG2 ILE 71 3HG2 ILE 71 16.314 -16.268 -2.137 1376 1HD1 ILE 71 1HD1 ILE 71 17.649 -12.970 -2.268 1377 2HD1 ILE 71 2HD1 ILE 71 19.388 -12.696 -2.199 1378 3HD1 ILE 71 3HD1 ILE 71 18.559 -13.437 -0.831 1379 H ALA 72 H ALA 72 17.911 -12.870 -4.222 1380 HA ALA 72 HA ALA 72 20.417 -12.049 -5.606 1381 1HB ALA 72 1HB ALA 72 18.671 -9.996 -6.126 1382 2HB ALA 72 2HB ALA 72 17.601 -11.397 -6.195 1383 3HB ALA 72 3HB ALA 72 19.015 -11.315 -7.246 1384 HA PRO 73 HA PRO 73 21.062 -9.650 -1.947 1385 1HB PRO 73 2HB PRO 73 22.593 -7.632 -2.988 1386 2HB PRO 73 1HB PRO 73 23.205 -9.279 -2.731 1387 1HG PRO 73 2HG PRO 73 22.258 -7.980 -5.240 1388 2HG PRO 73 1HG PRO 73 23.620 -9.083 -4.985 1389 1HD PRO 73 2HD PRO 73 21.240 -9.880 -6.039 1390 2HD PRO 73 1HD PRO 73 22.292 -10.959 -5.097 1391 H SER 74 H SER 74 19.331 -8.540 -1.144 1392 HA SER 74 HA SER 74 18.818 -5.801 -1.640 1393 1HB SER 74 2HB SER 74 17.631 -7.711 -3.546 1394 2HB SER 74 1HB SER 74 16.467 -6.582 -2.858 1395 HG SER 74 HG SER 74 18.883 -6.008 -4.230 1396 H VAL 75 H VAL 75 16.154 -5.501 -1.151 1397 HA VAL 75 HA VAL 75 15.745 -7.027 1.393 1398 HB VAL 75 HB VAL 75 15.743 -4.261 0.666 1399 1HG1 VAL 75 1HG1 VAL 75 13.577 -3.495 1.462 1400 2HG1 VAL 75 2HG1 VAL 75 13.063 -5.153 1.765 1401 3HG1 VAL 75 3HG1 VAL 75 13.327 -4.600 0.111 1402 1HG2 VAL 75 1HG2 VAL 75 16.543 -5.403 2.779 1403 2HG2 VAL 75 2HG2 VAL 75 14.855 -5.493 3.281 1404 3HG2 VAL 75 3HG2 VAL 75 15.621 -3.923 3.038 1405 H GLY 76 H GLY 76 13.258 -7.204 1.914 1406 1HA GLY 76 2HA GLY 76 11.821 -7.893 -0.635 1407 2HA GLY 76 1HA GLY 76 11.701 -8.895 0.812 1408 H VAL 77 H VAL 77 10.608 -6.013 -0.749 1409 HA VAL 77 HA VAL 77 9.361 -4.706 1.482 1410 HB VAL 77 HB VAL 77 9.927 -3.779 -0.789 1411 1HG1 VAL 77 1HG1 VAL 77 8.867 -4.500 -2.707 1412 2HG1 VAL 77 2HG1 VAL 77 7.341 -4.761 -1.877 1413 3HG1 VAL 77 3HG1 VAL 77 8.620 -5.966 -1.765 1414 1HG2 VAL 77 1HG2 VAL 77 7.841 -2.418 -0.970 1415 2HG2 VAL 77 2HG2 VAL 77 8.406 -2.562 0.693 1416 3HG2 VAL 77 3HG2 VAL 77 7.048 -3.535 0.138 1417 H SER 78 H SER 78 8.355 -6.839 2.454 1418 HA SER 78 HA SER 78 6.153 -8.089 1.090 1419 1HB SER 78 2HB SER 78 6.632 -9.295 2.979 1420 2HB SER 78 1HB SER 78 7.307 -7.893 3.799 1421 HG SER 78 HG SER 78 4.964 -9.031 4.190 1422 H VAL 79 H VAL 79 3.802 -7.687 1.983 1423 HA VAL 79 HA VAL 79 2.990 -5.228 3.127 1424 HB VAL 79 HB VAL 79 3.542 -3.807 1.399 1425 1HG1 VAL 79 1HG1 VAL 79 3.966 -6.349 -0.086 1426 2HG1 VAL 79 2HG1 VAL 79 5.010 -4.936 0.057 1427 3HG1 VAL 79 3HG1 VAL 79 3.651 -4.915 -1.060 1428 1HG2 VAL 79 1HG2 VAL 79 1.111 -3.872 1.086 1429 2HG2 VAL 79 2HG2 VAL 79 1.269 -5.247 -0.002 1430 3HG2 VAL 79 3HG2 VAL 79 1.916 -3.677 -0.466 1431 H LYS 80 H LYS 80 0.656 -4.739 2.539 1432 HA LYS 80 HA LYS 80 -1.054 -6.451 1.112 1433 1HB LYS 80 2HB LYS 80 -2.008 -7.741 3.063 1434 2HB LYS 80 1HB LYS 80 -0.344 -8.186 2.699 1435 1HG LYS 80 2HG LYS 80 0.367 -7.502 4.726 1436 2HG LYS 80 1HG LYS 80 -0.445 -5.946 4.552 1437 1HD LYS 80 2HD LYS 80 -1.750 -6.724 6.254 1438 2HD LYS 80 1HD LYS 80 -2.587 -7.578 4.958 1439 1HE LYS 80 2HE LYS 80 -0.808 -9.451 5.347 1440 2HE LYS 80 1HE LYS 80 -0.557 -8.652 6.913 1441 1HZ LYS 80 1HZ LYS 80 -3.132 -9.638 5.807 1442 2HZ LYS 80 2HZ LYS 80 -3.002 -8.690 7.210 1443 3HZ LYS 80 3HZ LYS 80 -2.312 -10.241 7.164 1444 HA PRO 81 HA PRO 81 -3.677 -3.298 2.770 1445 1HB PRO 81 2HB PRO 81 -6.151 -4.341 2.289 1446 2HB PRO 81 1HB PRO 81 -5.087 -3.767 0.990 1447 1HG PRO 81 2HG PRO 81 -5.788 -6.510 1.757 1448 2HG PRO 81 1HG PRO 81 -5.198 -5.882 0.212 1449 1HD PRO 81 2HD PRO 81 -3.700 -7.241 2.217 1450 2HD PRO 81 1HD PRO 81 -3.101 -6.528 0.707 1451 H GLY 82 H GLY 82 -5.999 -3.352 4.075 1452 1HA GLY 82 2HA GLY 82 -5.692 -5.228 6.393 1453 2HA GLY 82 1HA GLY 82 -6.004 -3.504 6.659 1454 H GLU 83 H GLU 83 -8.039 -2.648 6.095 1455 HA GLU 83 HA GLU 83 -10.269 -4.590 5.996 1456 1HB GLU 83 2HB GLU 83 -9.856 -1.920 6.809 1457 2HB GLU 83 1HB GLU 83 -10.870 -1.802 5.367 1458 1HG GLU 83 2HG GLU 83 -12.476 -3.338 6.277 1459 2HG GLU 83 1HG GLU 83 -11.431 -3.700 7.650 1460 H SER 84 H SER 84 -8.756 -5.183 4.004 1461 HA SER 84 HA SER 84 -8.319 -4.765 1.634 1462 1HB SER 84 2HB SER 84 -9.940 -6.711 2.572 1463 2HB SER 84 1HB SER 84 -11.046 -5.893 1.474 1464 HG SER 84 HG SER 84 -8.883 -7.466 0.946 1465 H LEU 85 H LEU 85 -9.143 -2.282 2.562 1466 HA LEU 85 HA LEU 85 -10.883 -0.600 2.072 1467 1HB LEU 85 2HB LEU 85 -9.681 -1.424 -0.596 1468 2HB LEU 85 1HB LEU 85 -10.352 0.156 -0.232 1469 HG LEU 85 HG LEU 85 -8.569 0.275 1.632 1470 1HD1 LEU 85 1HD1 LEU 85 -7.947 -2.300 0.384 1471 2HD1 LEU 85 2HD1 LEU 85 -7.401 -1.642 1.925 1472 3HD1 LEU 85 3HD1 LEU 85 -6.553 -1.221 0.438 1473 1HD2 LEU 85 1HD2 LEU 85 -7.516 1.638 0.175 1474 2HD2 LEU 85 2HD2 LEU 85 -8.539 0.970 -1.095 1475 3HD2 LEU 85 3HD2 LEU 85 -6.953 0.267 -0.781 1476 H LYS 86 H LYS 86 -11.507 -3.381 2.220 1477 HA LYS 86 HA LYS 86 -13.278 -4.566 0.347 1478 1HB LYS 86 2HB LYS 86 -12.090 -4.943 2.871 1479 2HB LYS 86 1HB LYS 86 -13.792 -4.773 3.273 1480 1HG LYS 86 2HG LYS 86 -14.388 -6.684 2.007 1481 2HG LYS 86 1HG LYS 86 -12.849 -6.682 1.135 1482 1HD LYS 86 2HD LYS 86 -11.635 -7.204 3.199 1483 2HD LYS 86 1HD LYS 86 -13.129 -7.119 4.129 1484 1HE LYS 86 2HE LYS 86 -14.013 -9.087 3.083 1485 2HE LYS 86 1HE LYS 86 -12.767 -9.059 1.820 1486 1HZ LYS 86 1HZ LYS 86 -12.335 -9.468 4.731 1487 2HZ LYS 86 2HZ LYS 86 -11.086 -9.268 3.596 1488 3HZ LYS 86 3HZ LYS 86 -12.113 -10.619 3.505 1489 H LYS 87 H LYS 87 -13.472 -2.440 3.030 1490 HA LYS 87 HA LYS 87 -16.257 -1.804 3.048 1491 1HB LYS 87 2HB LYS 87 -14.321 -1.567 4.767 1492 2HB LYS 87 1HB LYS 87 -13.848 -0.140 3.845 1493 1HG LYS 87 2HG LYS 87 -15.759 1.061 4.452 1494 2HG LYS 87 1HG LYS 87 -16.706 -0.399 4.745 1495 1HD LYS 87 2HD LYS 87 -15.397 -0.868 6.768 1496 2HD LYS 87 1HD LYS 87 -14.401 0.558 6.469 1497 1HE LYS 87 2HE LYS 87 -16.049 1.260 8.065 1498 2HE LYS 87 1HE LYS 87 -16.621 1.890 6.506 1499 1HZ LYS 87 1HZ LYS 87 -17.387 -0.763 7.599 1500 2HZ LYS 87 2HZ LYS 87 -18.025 0.004 6.224 1501 3HZ LYS 87 3HZ LYS 87 -18.337 0.631 7.772 1502 H ALA 88 H ALA 88 -13.319 -0.680 1.432 1503 HA ALA 88 HA ALA 88 -14.672 1.597 0.154 1504 1HB ALA 88 1HB ALA 88 -12.297 0.923 -1.197 1505 2HB ALA 88 2HB ALA 88 -12.021 0.468 0.484 1506 3HB ALA 88 3HB ALA 88 -12.479 2.117 0.086 1507 H ALA 89 H ALA 89 -14.082 -1.772 -0.442 1508 HA ALA 89 HA ALA 89 -14.552 -1.721 -3.280 1509 1HB ALA 89 1HB ALA 89 -14.993 -3.944 -1.272 1510 2HB ALA 89 2HB ALA 89 -13.421 -3.520 -1.946 1511 3HB ALA 89 3HB ALA 89 -14.693 -4.136 -2.996 1512 H GLU 90 H GLU 90 -16.686 -2.494 -0.524 1513 HA GLU 90 HA GLU 90 -19.072 -2.827 -2.067 1514 1HB GLU 90 2HB GLU 90 -20.180 -2.284 0.115 1515 2HB GLU 90 1HB GLU 90 -18.869 -3.445 0.310 1516 1HG GLU 90 2HG GLU 90 -17.394 -1.788 1.177 1517 2HG GLU 90 1HG GLU 90 -18.452 -0.474 0.665 1518 H GLY 91 H GLY 91 -17.221 -0.035 -1.032 1519 1HA GLY 91 2HA GLY 91 -19.287 1.926 -1.635 1520 2HA GLY 91 1HA GLY 91 -17.587 2.272 -1.329 1521 H LEU 92 H LEU 92 -16.862 0.221 -3.567 1522 HA LEU 92 HA LEU 92 -16.899 2.192 -5.748 1523 1HB LEU 92 2HB LEU 92 -15.255 0.820 -6.664 1524 2HB LEU 92 1HB LEU 92 -15.115 0.371 -4.971 1525 HG LEU 92 HG LEU 92 -17.061 -1.367 -5.802 1526 1HD1 LEU 92 1HD1 LEU 92 -15.182 -1.828 -8.000 1527 2HD1 LEU 92 2HD1 LEU 92 -16.068 -0.316 -8.187 1528 3HD1 LEU 92 3HD1 LEU 92 -16.945 -1.837 -8.016 1529 1HD2 LEU 92 1HD2 LEU 92 -15.479 -2.584 -4.758 1530 2HD2 LEU 92 2HD2 LEU 92 -14.215 -1.430 -5.186 1531 3HD2 LEU 92 3HD2 LEU 92 -14.667 -2.705 -6.314 1532 H LYS 93 H LYS 93 -19.468 0.746 -4.752 1533 HA LYS 93 HA LYS 93 -21.404 -0.158 -5.782 1534 1HB LYS 93 2HB LYS 93 -19.948 0.795 -8.288 1535 2HB LYS 93 1HB LYS 93 -21.668 0.437 -8.167 1536 1HG LYS 93 2HG LYS 93 -20.571 2.399 -6.214 1537 2HG LYS 93 1HG LYS 93 -20.700 2.931 -7.890 1538 1HD LYS 93 2HD LYS 93 -23.031 1.513 -6.651 1539 2HD LYS 93 1HD LYS 93 -22.750 3.204 -6.234 1540 1HE LYS 93 2HE LYS 93 -22.428 3.214 -8.987 1541 2HE LYS 93 1HE LYS 93 -23.755 2.059 -8.746 1542 1HZ LYS 93 1HZ LYS 93 -24.897 3.629 -7.371 1543 2HZ LYS 93 2HZ LYS 93 -24.503 4.407 -8.829 1544 3HZ LYS 93 3HZ LYS 93 -23.596 4.715 -7.426 1545 H TYR 94 H TYR 94 -19.132 -1.695 -5.136 1546 HA TYR 94 HA TYR 94 -17.847 -3.425 -6.734 1547 1HB TYR 94 2HB TYR 94 -17.784 -3.636 -4.369 1548 2HB TYR 94 1HB TYR 94 -19.522 -3.931 -4.274 1549 HD1 TYR 94 HD1 TYR 94 -20.426 -6.067 -4.578 1550 HD2 TYR 94 HD2 TYR 94 -16.302 -5.332 -5.451 1551 HE1 TYR 94 HE1 TYR 94 -20.065 -8.513 -4.879 1552 HE2 TYR 94 HE2 TYR 94 -15.924 -7.776 -5.738 1553 HH TYR 94 HH TYR 94 -18.535 -10.023 -5.933 1554 H GLU 95 H GLU 95 -21.331 -3.806 -5.992 1555 HA GLU 95 HA GLU 95 -21.802 -6.183 -7.465 1556 1HB GLU 95 2HB GLU 95 -23.533 -3.754 -6.929 1557 2HB GLU 95 1HB GLU 95 -24.152 -5.288 -7.543 1558 1HG GLU 95 2HG GLU 95 -22.452 -5.365 -5.089 1559 2HG GLU 95 1HG GLU 95 -24.100 -4.756 -4.924 1560 H ASP 96 H ASP 96 -21.944 -2.783 -8.517 1561 HA ASP 96 HA ASP 96 -22.744 -3.199 -11.213 1562 1HB ASP 96 2HB ASP 96 -21.652 -1.119 -9.525 1563 2HB ASP 96 1HB ASP 96 -20.859 -1.076 -11.100 1564 H PHE 97 H PHE 97 -19.615 -3.488 -9.610 1565 HA PHE 97 HA PHE 97 -18.169 -3.994 -12.137 1566 1HB PHE 97 2HB PHE 97 -17.578 -3.087 -9.546 1567 2HB PHE 97 1HB PHE 97 -16.834 -4.682 -9.628 1568 HD1 PHE 97 HD1 PHE 97 -16.877 -1.283 -11.051 1569 HD2 PHE 97 HD2 PHE 97 -15.045 -5.165 -11.218 1570 HE1 PHE 97 HE1 PHE 97 -15.029 -0.353 -12.419 1571 HE2 PHE 97 HE2 PHE 97 -13.198 -4.235 -12.586 1572 HZ PHE 97 HZ PHE 97 -13.190 -1.829 -13.186 1573 H ALA 98 H ALA 98 -19.806 -5.750 -9.620 1574 HA ALA 98 HA ALA 98 -18.585 -8.306 -9.772 1575 1HB ALA 98 1HB ALA 98 -20.331 -7.376 -8.158 1576 2HB ALA 98 2HB ALA 98 -20.625 -9.025 -8.707 1577 3HB ALA 98 3HB ALA 98 -21.530 -7.686 -9.413 1578 H LYS 99 H LYS 99 -21.339 -6.981 -11.607 1579 HA LYS 99 HA LYS 99 -21.292 -9.339 -13.418 1580 1HB LYS 99 2HB LYS 99 -23.170 -7.177 -12.615 1581 2HB LYS 99 1HB LYS 99 -23.324 -7.763 -14.271 1582 1HG LYS 99 2HG LYS 99 -24.600 -9.407 -13.368 1583 2HG LYS 99 1HG LYS 99 -23.065 -10.112 -12.861 1584 1HD LYS 99 2HD LYS 99 -24.146 -8.001 -11.082 1585 2HD LYS 99 1HD LYS 99 -25.073 -9.500 -11.133 1586 1HE LYS 99 2HE LYS 99 -22.073 -9.576 -10.796 1587 2HE LYS 99 1HE LYS 99 -23.141 -9.353 -9.397 1588 1HZ LYS 99 1HZ LYS 99 -22.728 -11.714 -9.869 1589 2HZ LYS 99 2HZ LYS 99 -23.407 -11.520 -11.414 1590 3HZ LYS 99 3HZ LYS 99 -24.368 -11.314 -10.029 Start of MODEL 18 1 1H MET 1 1H MET 1 4.875 3.371 9.182 2 2H MET 1 2H MET 1 4.703 3.254 10.868 3 3H MET 1 3H MET 1 6.024 4.090 10.202 4 HA MET 1 HA MET 1 4.374 5.660 11.017 5 1HB MET 1 2HB MET 1 5.031 5.275 8.114 6 2HB MET 1 1HB MET 1 4.002 6.628 8.583 7 1HG MET 1 2HG MET 1 5.701 7.735 9.627 8 2HG MET 1 1HG MET 1 6.427 6.249 10.239 9 1HE MET 1 1HE MET 1 6.747 7.955 6.004 10 2HE MET 1 2HE MET 1 5.570 8.336 7.259 11 3HE MET 1 3HE MET 1 5.463 6.804 6.397 12 H ASN 2 H ASN 2 2.266 6.718 9.533 13 HA ASN 2 HA ASN 2 0.347 4.736 8.712 14 1HB ASN 2 2HB ASN 2 0.718 5.253 11.532 15 2HB ASN 2 1HB ASN 2 -0.926 5.664 11.047 16 1HD2 ASN 2 1HD2 ASN 2 -2.195 3.908 9.934 17 2HD2 ASN 2 2HD2 ASN 2 -1.812 2.285 10.252 18 H LYS 3 H LYS 3 -2.050 5.872 9.252 19 HA LYS 3 HA LYS 3 -2.348 7.992 7.429 20 1HB LYS 3 2HB LYS 3 -3.926 6.478 9.226 21 2HB LYS 3 1HB LYS 3 -4.244 8.163 9.635 22 1HG LYS 3 2HG LYS 3 -4.406 8.397 6.980 23 2HG LYS 3 1HG LYS 3 -4.814 6.687 7.097 24 1HD LYS 3 2HD LYS 3 -6.447 7.519 8.999 25 2HD LYS 3 1HD LYS 3 -6.297 9.067 8.169 26 1HE LYS 3 2HE LYS 3 -7.673 8.377 6.479 27 2HE LYS 3 1HE LYS 3 -6.770 6.863 6.281 28 1HZ LYS 3 1HZ LYS 3 -7.833 6.153 8.440 29 2HZ LYS 3 2HZ LYS 3 -8.874 6.244 7.101 30 3HZ LYS 3 3HZ LYS 3 -8.880 7.476 8.270 31 H THR 4 H THR 4 -1.031 8.074 10.628 32 HA THR 4 HA THR 4 -1.267 11.059 10.733 33 HB THR 4 HB THR 4 -1.127 8.837 12.753 34 HG1 THR 4 HG1 THR 4 -3.136 9.585 12.375 35 1HG2 THR 4 1HG2 THR 4 -0.834 10.781 14.461 36 2HG2 THR 4 2HG2 THR 4 -0.135 11.660 13.101 37 3HG2 THR 4 3HG2 THR 4 0.601 10.155 13.650 38 H GLU 5 H GLU 5 0.970 8.417 11.621 39 HA GLU 5 HA GLU 5 3.306 9.873 12.049 40 1HB GLU 5 2HB GLU 5 2.501 7.171 11.419 41 2HB GLU 5 1HB GLU 5 4.003 7.553 10.585 42 1HG GLU 5 2HG GLU 5 5.047 7.098 12.535 43 2HG GLU 5 1HG GLU 5 4.389 8.624 13.122 44 H LEU 6 H LEU 6 2.081 8.607 8.945 45 HA LEU 6 HA LEU 6 4.149 9.721 7.303 46 1HB LEU 6 2HB LEU 6 1.289 8.855 6.930 47 2HB LEU 6 1HB LEU 6 2.157 9.598 5.588 48 HG LEU 6 HG LEU 6 3.696 7.519 6.987 49 1HD1 LEU 6 1HD1 LEU 6 2.039 6.009 5.290 50 2HD1 LEU 6 2HD1 LEU 6 0.937 6.999 6.247 51 3HD1 LEU 6 3HD1 LEU 6 2.092 5.936 7.051 52 1HD2 LEU 6 1HD2 LEU 6 2.923 7.918 4.081 53 2HD2 LEU 6 2HD2 LEU 6 4.213 6.878 4.683 54 3HD2 LEU 6 3HD2 LEU 6 4.343 8.630 4.848 55 H ILE 7 H ILE 7 1.230 11.222 8.701 56 HA ILE 7 HA ILE 7 1.199 13.531 7.004 57 HB ILE 7 HB ILE 7 -0.286 14.458 8.552 58 1HG1 ILE 7 2HG1 ILE 7 -0.303 13.463 11.003 59 2HG1 ILE 7 1HG1 ILE 7 1.379 13.123 10.635 60 1HG2 ILE 7 1HG2 ILE 7 -1.218 12.384 7.759 61 2HG2 ILE 7 2HG2 ILE 7 -1.669 12.596 9.448 62 3HG2 ILE 7 3HG2 ILE 7 -0.381 11.481 9.018 63 1HD1 ILE 7 1HD1 ILE 7 0.036 15.720 11.049 64 2HD1 ILE 7 2HD1 ILE 7 1.189 15.675 9.716 65 3HD1 ILE 7 3HD1 ILE 7 1.712 15.260 11.348 66 H LYS 8 H LYS 8 2.883 12.832 10.040 67 HA LYS 8 HA LYS 8 4.248 15.357 10.202 68 1HB LYS 8 2HB LYS 8 4.807 14.374 12.175 69 2HB LYS 8 1HB LYS 8 4.053 12.883 11.622 70 1HG LYS 8 2HG LYS 8 6.258 12.391 10.406 71 2HG LYS 8 1HG LYS 8 6.948 13.714 11.346 72 1HD LYS 8 2HD LYS 8 7.382 12.028 12.834 73 2HD LYS 8 1HD LYS 8 5.716 12.341 13.324 74 1HE LYS 8 2HE LYS 8 4.970 10.365 12.456 75 2HE LYS 8 1HE LYS 8 6.002 10.497 11.020 76 1HZ LYS 8 1HZ LYS 8 6.774 8.724 12.489 77 2HZ LYS 8 2HZ LYS 8 6.934 9.833 13.767 78 3HZ LYS 8 3HZ LYS 8 7.922 9.969 12.391 79 H ALA 9 H ALA 9 4.839 12.312 8.516 80 HA ALA 9 HA ALA 9 7.525 12.686 7.688 81 1HB ALA 9 1HB ALA 9 5.385 11.611 5.874 82 2HB ALA 9 2HB ALA 9 5.741 10.776 7.387 83 3HB ALA 9 3HB ALA 9 7.004 10.980 6.173 84 H ILE 10 H ILE 10 4.466 13.966 6.346 85 HA ILE 10 HA ILE 10 5.962 15.441 4.269 86 HB ILE 10 HB ILE 10 3.250 14.441 4.782 87 1HG1 ILE 10 2HG1 ILE 10 3.069 14.679 2.322 88 2HG1 ILE 10 1HG1 ILE 10 4.592 15.567 2.307 89 1HG2 ILE 10 1HG2 ILE 10 3.555 17.334 3.941 90 2HG2 ILE 10 2HG2 ILE 10 2.613 16.702 5.291 91 3HG2 ILE 10 3HG2 ILE 10 2.099 16.386 3.634 92 1HD1 ILE 10 1HD1 ILE 10 5.451 13.475 1.916 93 2HD1 ILE 10 2HD1 ILE 10 4.096 12.660 2.697 94 3HD1 ILE 10 3HD1 ILE 10 5.378 13.374 3.674 95 H ALA 11 H ALA 11 4.233 15.839 7.312 96 HA ALA 11 HA ALA 11 4.145 18.706 7.293 97 1HB ALA 11 1HB ALA 11 3.408 18.368 9.491 98 2HB ALA 11 2HB ALA 11 4.584 17.089 9.789 99 3HB ALA 11 3HB ALA 11 3.142 16.757 8.832 100 H GLN 12 H GLN 12 6.749 16.478 7.469 101 HA GLN 12 HA GLN 12 8.537 18.594 8.562 102 1HB GLN 12 2HB GLN 12 9.820 16.835 9.537 103 2HB GLN 12 1HB GLN 12 8.152 16.317 9.762 104 1HG GLN 12 2HG GLN 12 8.313 14.904 7.748 105 2HG GLN 12 1HG GLN 12 9.982 15.423 7.513 106 1HE2 GLN 12 1HE2 GLN 12 7.870 13.427 9.534 107 2HE2 GLN 12 2HE2 GLN 12 9.121 12.633 10.363 108 H ASP 13 H ASP 13 8.268 16.031 6.068 109 HA ASP 13 HA ASP 13 10.732 16.791 4.700 110 1HB ASP 13 2HB ASP 13 8.205 15.287 3.938 111 2HB ASP 13 1HB ASP 13 9.561 15.478 2.828 112 H THR 14 H THR 14 7.396 17.683 4.704 113 HA THR 14 HA THR 14 7.701 19.644 2.498 114 HB THR 14 HB THR 14 5.094 19.361 3.799 115 HG1 THR 14 HG1 THR 14 6.341 17.009 2.819 116 1HG2 THR 14 1HG2 THR 14 5.385 18.046 1.249 117 2HG2 THR 14 2HG2 THR 14 6.145 19.632 1.225 118 3HG2 THR 14 3HG2 THR 14 4.444 19.472 1.669 119 H GLY 15 H GLY 15 5.997 19.582 5.640 120 1HA GLY 15 2HA GLY 15 5.794 21.196 7.333 121 2HA GLY 15 1HA GLY 15 7.512 21.462 7.058 122 H LEU 16 H LEU 16 5.293 22.049 4.484 123 HA LEU 16 HA LEU 16 6.103 24.805 4.158 124 1HB LEU 16 2HB LEU 16 3.728 23.234 3.113 125 2HB LEU 16 1HB LEU 16 4.229 24.810 2.503 126 HG LEU 16 HG LEU 16 6.571 23.481 2.370 127 1HD1 LEU 16 1HD1 LEU 16 4.821 21.459 3.004 128 2HD1 LEU 16 2HD1 LEU 16 6.365 21.241 2.184 129 3HD1 LEU 16 3HD1 LEU 16 4.883 21.374 1.253 130 1HD2 LEU 16 1HD2 LEU 16 6.292 23.791 0.101 131 2HD2 LEU 16 2HD2 LEU 16 4.818 24.620 0.601 132 3HD2 LEU 16 3HD2 LEU 16 4.752 22.936 0.086 133 H THR 17 H THR 17 2.834 23.602 4.702 134 HA THR 17 HA THR 17 2.343 25.822 6.624 135 HB THR 17 HB THR 17 1.491 25.768 4.060 136 HG1 THR 17 HG1 THR 17 0.970 27.510 5.204 137 1HG2 THR 17 1HG2 THR 17 -0.857 24.973 4.027 138 2HG2 THR 17 2HG2 THR 17 -0.645 24.310 5.641 139 3HG2 THR 17 3HG2 THR 17 0.289 23.663 4.293 140 H GLN 18 H GLN 18 2.645 22.590 6.304 141 HA GLN 18 HA GLN 18 1.759 20.732 7.430 142 1HB GLN 18 2HB GLN 18 0.477 22.768 9.276 143 2HB GLN 18 1HB GLN 18 1.077 21.163 9.689 144 1HG GLN 18 2HG GLN 18 3.388 22.075 8.925 145 2HG GLN 18 1HG GLN 18 2.648 23.665 9.109 146 1HE2 GLN 18 1HE2 GLN 18 4.814 22.518 10.796 147 2HE2 GLN 18 2HE2 GLN 18 4.203 22.470 12.379 148 H VAL 19 H VAL 19 0.399 22.257 5.335 149 HA VAL 19 HA VAL 19 -2.050 22.909 4.986 150 HB VAL 19 HB VAL 19 -1.057 21.969 3.090 151 1HG1 VAL 19 1HG1 VAL 19 -0.513 19.391 3.130 152 2HG1 VAL 19 2HG1 VAL 19 -0.471 19.650 4.874 153 3HG1 VAL 19 3HG1 VAL 19 0.610 20.561 3.820 154 1HG2 VAL 19 1HG2 VAL 19 -2.613 19.496 3.242 155 2HG2 VAL 19 2HG2 VAL 19 -2.748 20.839 2.118 156 3HG2 VAL 19 3HG2 VAL 19 -3.557 20.915 3.684 157 H SER 20 H SER 20 -2.437 19.509 5.004 158 HA SER 20 HA SER 20 -4.058 19.544 7.443 159 1HB SER 20 2HB SER 20 -5.974 19.061 6.281 160 2HB SER 20 1HB SER 20 -5.126 19.798 4.938 161 HG SER 20 HG SER 20 -4.718 17.868 4.109 162 H VAL 21 H VAL 21 -1.348 18.608 6.478 163 HA VAL 21 HA VAL 21 -0.631 16.214 5.774 164 HB VAL 21 HB VAL 21 0.761 16.018 7.827 165 1HG1 VAL 21 1HG1 VAL 21 0.630 18.938 7.197 166 2HG1 VAL 21 2HG1 VAL 21 0.998 17.810 5.892 167 3HG1 VAL 21 3HG1 VAL 21 2.039 17.883 7.315 168 1HG2 VAL 21 1HG2 VAL 21 -0.839 16.646 9.528 169 2HG2 VAL 21 2HG2 VAL 21 -1.081 18.225 8.780 170 3HG2 VAL 21 3HG2 VAL 21 0.459 17.840 9.549 171 H SER 22 H SER 22 -2.632 16.742 8.550 172 HA SER 22 HA SER 22 -2.990 13.860 9.114 173 1HB SER 22 2HB SER 22 -4.056 16.475 10.170 174 2HB SER 22 1HB SER 22 -4.800 14.957 10.665 175 HG SER 22 HG SER 22 -2.822 14.290 11.468 176 H LYS 23 H LYS 23 -4.776 16.487 7.601 177 HA LYS 23 HA LYS 23 -7.077 14.792 6.977 178 1HB LYS 23 2HB LYS 23 -6.395 17.567 7.232 179 2HB LYS 23 1HB LYS 23 -7.121 17.297 5.649 180 1HG LYS 23 2HG LYS 23 -9.038 16.191 6.702 181 2HG LYS 23 1HG LYS 23 -8.306 16.414 8.290 182 1HD LYS 23 2HD LYS 23 -10.075 18.146 7.595 183 2HD LYS 23 1HD LYS 23 -8.541 18.780 8.189 184 1HE LYS 23 2HE LYS 23 -7.922 19.593 6.116 185 2HE LYS 23 1HE LYS 23 -8.751 18.288 5.244 186 1HZ LYS 23 1HZ LYS 23 -10.015 20.584 6.646 187 2HZ LYS 23 2HZ LYS 23 -10.879 19.255 6.035 188 3HZ LYS 23 3HZ LYS 23 -10.029 20.278 4.978 189 H MET 24 H MET 24 -4.197 16.084 5.255 190 HA MET 24 HA MET 24 -5.325 15.392 2.670 191 1HB MET 24 2HB MET 24 -2.613 15.514 2.240 192 2HB MET 24 1HB MET 24 -3.708 16.882 2.168 193 1HG MET 24 2HG MET 24 -2.878 17.801 4.083 194 2HG MET 24 1HG MET 24 -2.691 16.233 4.868 195 1HE MET 24 1HE MET 24 0.342 14.714 3.954 196 2HE MET 24 2HE MET 24 -0.989 14.506 2.818 197 3HE MET 24 3HE MET 24 -1.327 14.676 4.538 198 H LEU 25 H LEU 25 -3.187 13.733 5.022 199 HA LEU 25 HA LEU 25 -2.821 11.460 3.198 200 1HB LEU 25 2HB LEU 25 -2.201 12.164 6.035 201 2HB LEU 25 1HB LEU 25 -2.180 10.461 5.573 202 HG LEU 25 HG LEU 25 -0.627 12.670 4.207 203 1HD1 LEU 25 1HD1 LEU 25 0.146 11.982 6.501 204 2HD1 LEU 25 2HD1 LEU 25 1.327 11.689 5.228 205 3HD1 LEU 25 3HD1 LEU 25 0.371 10.355 5.873 206 1HD2 LEU 25 1HD2 LEU 25 -0.969 11.087 2.520 207 2HD2 LEU 25 2HD2 LEU 25 -1.037 9.743 3.661 208 3HD2 LEU 25 3HD2 LEU 25 0.514 10.484 3.260 209 H ALA 26 H ALA 26 -4.763 12.168 6.116 210 HA ALA 26 HA ALA 26 -6.220 9.738 6.274 211 1HB ALA 26 1HB ALA 26 -6.999 12.624 6.831 212 2HB ALA 26 2HB ALA 26 -6.306 11.483 7.983 213 3HB ALA 26 3HB ALA 26 -7.939 11.232 7.367 214 H SER 27 H SER 27 -6.555 12.574 4.198 215 HA SER 27 HA SER 27 -9.049 11.662 2.971 216 1HB SER 27 2HB SER 27 -8.647 13.594 1.491 217 2HB SER 27 1HB SER 27 -8.408 14.054 3.172 218 HG SER 27 HG SER 27 -6.729 14.419 1.281 219 H PHE 28 H PHE 28 -5.576 11.493 2.335 220 HA PHE 28 HA PHE 28 -5.738 10.415 -0.336 221 1HB PHE 28 2HB PHE 28 -3.568 10.972 0.005 222 2HB PHE 28 1HB PHE 28 -3.765 10.924 1.751 223 HD1 PHE 28 HD1 PHE 28 -2.980 9.072 3.020 224 HD2 PHE 28 HD2 PHE 28 -3.201 8.751 -1.259 225 HE1 PHE 28 HE1 PHE 28 -1.666 6.996 3.113 226 HE2 PHE 28 HE2 PHE 28 -1.885 6.669 -1.158 227 HZ PHE 28 HZ PHE 28 -1.106 5.792 1.020 228 H GLU 29 H GLU 29 -5.945 9.057 2.879 229 HA GLU 29 HA GLU 29 -5.934 6.288 1.897 230 1HB GLU 29 2HB GLU 29 -5.994 7.798 4.490 231 2HB GLU 29 1HB GLU 29 -6.508 6.106 4.478 232 1HG GLU 29 2HG GLU 29 -4.425 5.342 4.017 233 2HG GLU 29 1HG GLU 29 -4.083 6.671 2.924 234 H LYS 30 H LYS 30 -8.037 8.828 2.977 235 HA LYS 30 HA LYS 30 -10.473 7.256 3.011 236 1HB LYS 30 2HB LYS 30 -10.205 9.438 4.167 237 2HB LYS 30 1HB LYS 30 -9.971 10.224 2.605 238 1HG LYS 30 2HG LYS 30 -12.194 9.841 1.933 239 2HG LYS 30 1HG LYS 30 -12.435 8.581 3.143 240 1HD LYS 30 2HD LYS 30 -11.845 10.659 4.771 241 2HD LYS 30 1HD LYS 30 -12.586 11.535 3.432 242 1HE LYS 30 2HE LYS 30 -13.985 9.073 4.403 243 2HE LYS 30 1HE LYS 30 -14.089 10.537 5.402 244 1HZ LYS 30 1HZ LYS 30 -14.550 10.531 2.471 245 2HZ LYS 30 2HZ LYS 30 -14.866 11.789 3.566 246 3HZ LYS 30 3HZ LYS 30 -15.805 10.375 3.600 247 H ILE 31 H ILE 31 -8.554 8.982 0.576 248 HA ILE 31 HA ILE 31 -10.628 8.557 -1.489 249 HB ILE 31 HB ILE 31 -9.048 9.798 -2.893 250 1HG1 ILE 31 2HG1 ILE 31 -7.214 10.858 -1.135 251 2HG1 ILE 31 1HG1 ILE 31 -7.226 9.140 -0.768 252 1HG2 ILE 31 1HG2 ILE 31 -10.017 10.831 -0.286 253 2HG2 ILE 31 2HG2 ILE 31 -10.471 11.313 -1.920 254 3HG2 ILE 31 3HG2 ILE 31 -8.949 11.871 -1.227 255 1HD1 ILE 31 1HD1 ILE 31 -5.882 8.866 -2.564 256 2HD1 ILE 31 2HD1 ILE 31 -6.186 10.511 -3.119 257 3HD1 ILE 31 3HD1 ILE 31 -7.301 9.216 -3.550 258 H ILE 32 H ILE 32 -7.424 7.385 -0.571 259 HA ILE 32 HA ILE 32 -6.882 5.717 -2.828 260 HB ILE 32 HB ILE 32 -6.258 5.577 0.131 261 1HG1 ILE 32 2HG1 ILE 32 -5.097 7.155 -1.571 262 2HG1 ILE 32 1HG1 ILE 32 -4.069 6.179 -0.528 263 1HG2 ILE 32 1HG2 ILE 32 -6.155 3.309 -0.176 264 2HG2 ILE 32 2HG2 ILE 32 -4.575 3.713 -0.845 265 3HG2 ILE 32 3HG2 ILE 32 -5.945 3.443 -1.922 266 1HD1 ILE 32 1HD1 ILE 32 -4.903 5.205 -3.253 267 2HD1 ILE 32 2HD1 ILE 32 -3.542 4.673 -2.265 268 3HD1 ILE 32 3HD1 ILE 32 -3.499 6.252 -3.048 269 H THR 33 H THR 33 -8.310 5.013 0.302 270 HA THR 33 HA THR 33 -9.229 2.434 -0.331 271 HB THR 33 HB THR 33 -9.165 4.237 1.839 272 HG1 THR 33 HG1 THR 33 -8.889 2.407 2.758 273 1HG2 THR 33 1HG2 THR 33 -11.932 3.154 1.346 274 2HG2 THR 33 2HG2 THR 33 -11.468 4.854 1.383 275 3HG2 THR 33 3HG2 THR 33 -11.384 3.885 2.854 276 H GLU 34 H GLU 34 -10.650 5.632 -0.616 277 HA GLU 34 HA GLU 34 -13.302 4.783 -1.384 278 1HB GLU 34 2HB GLU 34 -11.671 7.278 -1.320 279 2HB GLU 34 1HB GLU 34 -13.176 7.299 -2.229 280 1HG GLU 34 2HG GLU 34 -13.058 6.244 0.605 281 2HG GLU 34 1HG GLU 34 -13.304 7.959 0.273 282 H THR 35 H THR 35 -10.494 5.995 -3.370 283 HA THR 35 HA THR 35 -11.833 5.919 -5.873 284 HB THR 35 HB THR 35 -8.945 5.283 -5.229 285 HG1 THR 35 HG1 THR 35 -9.004 7.334 -4.772 286 1HG2 THR 35 1HG2 THR 35 -8.596 5.054 -7.461 287 2HG2 THR 35 2HG2 THR 35 -9.599 6.454 -7.835 288 3HG2 THR 35 3HG2 THR 35 -10.342 4.875 -7.606 289 H VAL 36 H VAL 36 -9.889 3.347 -4.324 290 HA VAL 36 HA VAL 36 -10.253 1.331 -6.256 291 HB VAL 36 HB VAL 36 -9.950 1.501 -3.278 292 1HG1 VAL 36 1HG1 VAL 36 -9.825 -1.224 -3.727 293 2HG1 VAL 36 2HG1 VAL 36 -11.249 -0.747 -4.644 294 3HG1 VAL 36 3HG1 VAL 36 -11.147 -0.381 -2.923 295 1HG2 VAL 36 1HG2 VAL 36 -7.819 0.908 -3.762 296 2HG2 VAL 36 2HG2 VAL 36 -8.246 1.299 -5.428 297 3HG2 VAL 36 3HG2 VAL 36 -8.331 -0.370 -4.864 298 H ALA 37 H ALA 37 -12.338 2.342 -3.590 299 HA ALA 37 HA ALA 37 -14.525 0.560 -4.398 300 1HB ALA 37 1HB ALA 37 -15.571 2.030 -2.509 301 2HB ALA 37 2HB ALA 37 -13.911 2.579 -2.284 302 3HB ALA 37 3HB ALA 37 -14.302 0.871 -2.123 303 H LYS 38 H LYS 38 -13.345 3.507 -5.456 304 HA LYS 38 HA LYS 38 -16.005 4.661 -6.125 305 1HB LYS 38 2HB LYS 38 -13.677 5.830 -5.420 306 2HB LYS 38 1HB LYS 38 -13.422 5.756 -7.161 307 1HG LYS 38 2HG LYS 38 -14.933 7.394 -7.552 308 2HG LYS 38 1HG LYS 38 -16.110 6.679 -6.451 309 1HD LYS 38 2HD LYS 38 -13.695 8.296 -5.581 310 2HD LYS 38 1HD LYS 38 -15.339 8.925 -5.689 311 1HE LYS 38 2HE LYS 38 -16.010 6.999 -4.110 312 2HE LYS 38 1HE LYS 38 -14.272 6.815 -3.800 313 1HZ LYS 38 1HZ LYS 38 -15.120 8.386 -2.238 314 2HZ LYS 38 2HZ LYS 38 -15.905 9.272 -3.456 315 3HZ LYS 38 3HZ LYS 38 -14.209 9.249 -3.378 316 H GLY 39 H GLY 39 -13.365 2.832 -7.379 317 1HA GLY 39 2HA GLY 39 -13.981 1.307 -9.202 318 2HA GLY 39 1HA GLY 39 -14.792 2.670 -9.964 319 H ASP 40 H ASP 40 -11.569 2.753 -8.429 320 HA ASP 40 HA ASP 40 -10.343 2.888 -11.147 321 1HB ASP 40 2HB ASP 40 -10.957 5.126 -9.425 322 2HB ASP 40 1HB ASP 40 -9.211 5.004 -9.648 323 H LYS 41 H LYS 41 -8.243 2.135 -11.174 324 HA LYS 41 HA LYS 41 -7.197 0.922 -8.687 325 1HB LYS 41 2HB LYS 41 -6.260 0.827 -11.577 326 2HB LYS 41 1HB LYS 41 -5.698 -0.222 -10.276 327 1HG LYS 41 2HG LYS 41 -7.464 -1.599 -10.531 328 2HG LYS 41 1HG LYS 41 -8.596 -0.251 -10.429 329 1HD LYS 41 2HD LYS 41 -8.517 0.152 -12.752 330 2HD LYS 41 1HD LYS 41 -7.018 -0.758 -12.947 331 1HE LYS 41 2HE LYS 41 -8.104 -2.792 -12.995 332 2HE LYS 41 1HE LYS 41 -9.374 -2.253 -11.880 333 1HZ LYS 41 1HZ LYS 41 -9.059 -1.169 -14.622 334 2HZ LYS 41 2HZ LYS 41 -10.371 -0.950 -13.565 335 3HZ LYS 41 3HZ LYS 41 -10.083 -2.471 -14.264 336 H VAL 42 H VAL 42 -6.394 2.757 -7.574 337 HA VAL 42 HA VAL 42 -4.845 4.870 -8.687 338 HB VAL 42 HB VAL 42 -4.189 5.234 -6.332 339 1HG1 VAL 42 1HG1 VAL 42 -6.959 4.293 -5.955 340 2HG1 VAL 42 2HG1 VAL 42 -6.715 5.308 -7.377 341 3HG1 VAL 42 3HG1 VAL 42 -6.285 5.913 -5.778 342 1HG2 VAL 42 1HG2 VAL 42 -5.420 2.493 -5.911 343 2HG2 VAL 42 2HG2 VAL 42 -4.922 3.586 -4.620 344 3HG2 VAL 42 3HG2 VAL 42 -3.718 2.908 -5.716 345 H GLN 43 H GLN 43 -2.680 5.037 -9.196 346 HA GLN 43 HA GLN 43 -0.937 2.660 -8.624 347 1HB GLN 43 2HB GLN 43 -0.622 4.423 -11.043 348 2HB GLN 43 1HB GLN 43 -0.177 2.730 -10.844 349 1HG GLN 43 2HG GLN 43 -2.819 2.472 -10.505 350 2HG GLN 43 1HG GLN 43 -2.829 3.931 -11.497 351 1HE2 GLN 43 1HE2 GLN 43 -2.060 3.762 -13.711 352 2HE2 GLN 43 2HE2 GLN 43 -1.788 2.259 -14.451 353 H LEU 44 H LEU 44 0.447 3.441 -7.034 354 HA LEU 44 HA LEU 44 1.249 6.224 -6.855 355 1HB LEU 44 2HB LEU 44 1.979 3.608 -5.571 356 2HB LEU 44 1HB LEU 44 2.937 5.045 -5.224 357 HG LEU 44 HG LEU 44 -0.079 4.954 -4.960 358 1HD1 LEU 44 1HD1 LEU 44 0.641 5.065 -2.427 359 2HD1 LEU 44 2HD1 LEU 44 2.115 4.292 -3.009 360 3HD1 LEU 44 3HD1 LEU 44 0.554 3.506 -3.237 361 1HD2 LEU 44 1HD2 LEU 44 2.110 6.919 -4.401 362 2HD2 LEU 44 2HD2 LEU 44 0.655 6.952 -3.404 363 3HD2 LEU 44 3HD2 LEU 44 0.539 7.189 -5.146 364 H THR 45 H THR 45 2.403 6.965 -8.625 365 HA THR 45 HA THR 45 4.002 6.947 -10.389 366 HB THR 45 HB THR 45 5.248 8.087 -8.795 367 HG1 THR 45 HG1 THR 45 7.080 7.470 -9.544 368 1HG2 THR 45 1HG2 THR 45 6.153 7.040 -6.727 369 2HG2 THR 45 2HG2 THR 45 5.382 5.524 -7.184 370 3HG2 THR 45 3HG2 THR 45 4.396 6.935 -6.817 371 H GLY 46 H GLY 46 6.093 4.742 -8.648 372 1HA GLY 46 2HA GLY 46 5.273 2.494 -10.396 373 2HA GLY 46 1HA GLY 46 6.936 3.067 -10.515 374 H PHE 47 H PHE 47 5.206 3.073 -7.443 375 HA PHE 47 HA PHE 47 6.828 0.709 -6.618 376 1HB PHE 47 2HB PHE 47 7.732 1.865 -4.813 377 2HB PHE 47 1HB PHE 47 7.661 3.115 -6.044 378 HD1 PHE 47 HD1 PHE 47 6.445 5.087 -5.687 379 HD2 PHE 47 HD2 PHE 47 5.803 1.704 -3.135 380 HE1 PHE 47 HE1 PHE 47 5.038 6.476 -4.205 381 HE2 PHE 47 HE2 PHE 47 4.396 3.088 -1.655 382 HZ PHE 47 HZ PHE 47 4.004 5.469 -2.194 383 H LEU 48 H LEU 48 3.778 2.446 -6.301 384 HA LEU 48 HA LEU 48 2.786 0.053 -4.824 385 1HB LEU 48 2HB LEU 48 2.801 2.884 -4.038 386 2HB LEU 48 1HB LEU 48 1.256 2.069 -3.818 387 HG LEU 48 HG LEU 48 3.918 1.400 -2.577 388 1HD1 LEU 48 1HD1 LEU 48 2.375 2.984 -1.457 389 2HD1 LEU 48 2HD1 LEU 48 2.639 1.514 -0.518 390 3HD1 LEU 48 3HD1 LEU 48 1.143 1.722 -1.430 391 1HD2 LEU 48 1HD2 LEU 48 2.290 -0.556 -1.628 392 2HD2 LEU 48 2HD2 LEU 48 3.382 -0.792 -2.992 393 3HD2 LEU 48 3HD2 LEU 48 1.680 -0.424 -3.277 394 H ASN 49 H ASN 49 1.740 -0.789 -6.670 395 HA ASN 49 HA ASN 49 -0.251 0.964 -8.042 396 1HB ASN 49 2HB ASN 49 1.439 -1.384 -8.696 397 2HB ASN 49 1HB ASN 49 -0.152 -1.356 -9.455 398 1HD2 ASN 49 1HD2 ASN 49 0.996 -0.963 -11.554 399 2HD2 ASN 49 2HD2 ASN 49 1.548 0.599 -11.924 400 H ILE 50 H ILE 50 -1.923 0.817 -6.388 401 HA ILE 50 HA ILE 50 -2.942 -1.786 -5.501 402 HB ILE 50 HB ILE 50 -4.135 0.992 -5.356 403 1HG1 ILE 50 2HG1 ILE 50 -1.753 -0.050 -4.152 404 2HG1 ILE 50 1HG1 ILE 50 -2.491 1.530 -3.916 405 1HG2 ILE 50 1HG2 ILE 50 -4.590 -1.478 -3.661 406 2HG2 ILE 50 2HG2 ILE 50 -5.702 -0.856 -4.880 407 3HG2 ILE 50 3HG2 ILE 50 -5.365 0.090 -3.429 408 1HD1 ILE 50 1HD1 ILE 50 -2.281 0.345 -1.775 409 2HD1 ILE 50 2HD1 ILE 50 -3.219 -1.002 -2.417 410 3HD1 ILE 50 3HD1 ILE 50 -3.980 0.573 -2.190 411 H LYS 51 H LYS 51 -5.044 -2.662 -6.092 412 HA LYS 51 HA LYS 51 -6.644 -1.309 -8.144 413 1HB LYS 51 2HB LYS 51 -6.216 -3.086 -9.882 414 2HB LYS 51 1HB LYS 51 -4.812 -2.077 -9.538 415 1HG LYS 51 2HG LYS 51 -3.867 -3.795 -8.099 416 2HG LYS 51 1HG LYS 51 -5.316 -4.782 -8.269 417 1HD LYS 51 2HD LYS 51 -3.889 -3.934 -10.755 418 2HD LYS 51 1HD LYS 51 -3.191 -5.235 -9.789 419 1HE LYS 51 2HE LYS 51 -5.289 -6.505 -9.920 420 2HE LYS 51 1HE LYS 51 -6.048 -5.184 -10.832 421 1HZ LYS 51 1HZ LYS 51 -4.464 -5.422 -12.567 422 2HZ LYS 51 2HZ LYS 51 -5.067 -6.977 -12.245 423 3HZ LYS 51 3HZ LYS 51 -3.534 -6.521 -11.671 424 HA PRO 52 HA PRO 52 -9.210 -4.198 -5.853 425 1HB PRO 52 2HB PRO 52 -11.590 -3.023 -6.429 426 2HB PRO 52 1HB PRO 52 -10.486 -2.400 -5.191 427 1HG PRO 52 2HG PRO 52 -10.981 -1.431 -7.945 428 2HG PRO 52 1HG PRO 52 -10.605 -0.523 -6.478 429 1HD PRO 52 2HD PRO 52 -8.794 -1.114 -8.482 430 2HD PRO 52 1HD PRO 52 -8.360 -0.686 -6.813 431 H VAL 53 H VAL 53 -10.289 -5.992 -6.521 432 HA VAL 53 HA VAL 53 -11.452 -6.097 -9.236 433 HB VAL 53 HB VAL 53 -10.113 -8.090 -9.758 434 1HG1 VAL 53 1HG1 VAL 53 -8.271 -5.897 -8.763 435 2HG1 VAL 53 2HG1 VAL 53 -9.285 -5.699 -10.192 436 3HG1 VAL 53 3HG1 VAL 53 -8.037 -6.946 -10.161 437 1HG2 VAL 53 1HG2 VAL 53 -9.656 -9.105 -7.675 438 2HG2 VAL 53 2HG2 VAL 53 -9.120 -7.588 -6.963 439 3HG2 VAL 53 3HG2 VAL 53 -8.093 -8.421 -8.123 440 H ALA 54 H ALA 54 -13.443 -6.825 -8.878 441 HA ALA 54 HA ALA 54 -14.765 -7.830 -6.761 442 1HB ALA 54 1HB ALA 54 -15.227 -7.660 -9.427 443 2HB ALA 54 2HB ALA 54 -16.346 -8.422 -8.297 444 3HB ALA 54 3HB ALA 54 -15.218 -9.411 -9.224 445 H ARG 55 H ARG 55 -13.903 -9.250 -5.229 446 HA ARG 55 HA ARG 55 -13.618 -12.066 -6.003 447 1HB ARG 55 2HB ARG 55 -11.451 -10.805 -6.601 448 2HB ARG 55 1HB ARG 55 -11.213 -10.625 -4.862 449 1HG ARG 55 2HG ARG 55 -10.470 -12.743 -4.685 450 2HG ARG 55 1HG ARG 55 -11.912 -13.362 -5.490 451 1HD ARG 55 2HD ARG 55 -10.817 -13.615 -7.470 452 2HD ARG 55 1HD ARG 55 -10.036 -12.028 -7.330 453 HE ARG 55 HE ARG 55 -9.007 -13.987 -5.422 454 1HH1 ARG 55 1HH1 ARG 55 -7.642 -11.665 -6.997 455 2HH1 ARG 55 2HH1 ARG 55 -6.513 -12.575 -7.946 456 1HH2 ARG 55 1HH2 ARG 55 -8.054 -15.621 -7.341 457 2HH2 ARG 55 2HH2 ARG 55 -6.747 -14.815 -8.140 458 H GLN 56 H GLN 56 -14.374 -13.205 -4.250 459 HA GLN 56 HA GLN 56 -15.221 -12.015 -1.831 460 1HB GLN 56 2HB GLN 56 -15.283 -14.394 -1.037 461 2HB GLN 56 1HB GLN 56 -16.003 -14.178 -2.632 462 1HG GLN 56 2HG GLN 56 -13.135 -14.684 -2.803 463 2HG GLN 56 1HG GLN 56 -13.981 -15.987 -1.968 464 1HE2 GLN 56 1HE2 GLN 56 -13.061 -15.011 -5.025 465 2HE2 GLN 56 2HE2 GLN 56 -14.245 -15.816 -5.938 466 H ALA 57 H ALA 57 -14.245 -13.123 0.357 467 HA ALA 57 HA ALA 57 -11.733 -11.814 0.817 468 1HB ALA 57 1HB ALA 57 -13.340 -12.093 2.568 469 2HB ALA 57 2HB ALA 57 -11.943 -13.067 3.001 470 3HB ALA 57 3HB ALA 57 -13.374 -13.839 2.337 471 H ARG 58 H ARG 58 -9.837 -12.958 1.761 472 HA ARG 58 HA ARG 58 -8.447 -14.576 -0.014 473 1HB ARG 58 2HB ARG 58 -8.418 -14.043 2.925 474 2HB ARG 58 1HB ARG 58 -7.351 -15.299 2.310 475 1HG ARG 58 2HG ARG 58 -6.474 -13.637 0.642 476 2HG ARG 58 1HG ARG 58 -7.435 -12.400 1.452 477 1HD ARG 58 2HD ARG 58 -5.675 -12.104 2.855 478 2HD ARG 58 1HD ARG 58 -6.035 -13.709 3.521 479 HE ARG 58 HE ARG 58 -4.404 -14.666 2.003 480 1HH1 ARG 58 1HH1 ARG 58 -5.139 -11.864 0.435 481 2HH1 ARG 58 2HH1 ARG 58 -3.510 -11.347 0.159 482 1HH2 ARG 58 1HH2 ARG 58 -2.118 -13.744 2.243 483 2HH2 ARG 58 2HH2 ARG 58 -1.799 -12.412 1.184 484 H LYS 59 H LYS 59 -7.728 -16.916 0.408 485 HA LYS 59 HA LYS 59 -9.339 -18.758 1.901 486 1HB LYS 59 2HB LYS 59 -10.639 -19.697 0.001 487 2HB LYS 59 1HB LYS 59 -11.059 -18.016 0.314 488 1HG LYS 59 2HG LYS 59 -8.870 -17.999 -1.505 489 2HG LYS 59 1HG LYS 59 -10.035 -19.179 -2.108 490 1HD LYS 59 2HD LYS 59 -11.811 -17.341 -1.620 491 2HD LYS 59 1HD LYS 59 -10.434 -16.238 -1.587 492 1HE LYS 59 2HE LYS 59 -10.916 -18.145 -3.895 493 2HE LYS 59 1HE LYS 59 -11.555 -16.488 -3.869 494 1HZ LYS 59 1HZ LYS 59 -8.714 -17.320 -3.619 495 2HZ LYS 59 2HZ LYS 59 -9.262 -15.738 -3.327 496 3HZ LYS 59 3HZ LYS 59 -9.406 -16.419 -4.877 497 H GLY 60 H GLY 60 -7.267 -19.642 2.302 498 1HA GLY 60 2HA GLY 60 -6.368 -21.790 0.704 499 2HA GLY 60 1HA GLY 60 -5.391 -20.394 0.239 500 H PHE 61 H PHE 61 -4.044 -19.379 1.886 501 HA PHE 61 HA PHE 61 -3.959 -20.363 4.602 502 1HB PHE 61 2HB PHE 61 -2.908 -22.321 4.037 503 2HB PHE 61 1HB PHE 61 -2.400 -21.709 2.472 504 HD1 PHE 61 HD1 PHE 61 -1.740 -20.977 6.111 505 HD2 PHE 61 HD2 PHE 61 -0.137 -21.431 2.160 506 HE1 PHE 61 HE1 PHE 61 0.527 -20.502 6.977 507 HE2 PHE 61 HE2 PHE 61 2.137 -20.977 3.028 508 HZ PHE 61 HZ PHE 61 2.473 -20.501 5.437 509 H ASN 62 H ASN 62 -2.460 -19.305 5.900 510 HA ASN 62 HA ASN 62 -0.588 -17.407 4.657 511 1HB ASN 62 2HB ASN 62 -3.230 -16.748 5.329 512 2HB ASN 62 1HB ASN 62 -2.228 -16.043 6.595 513 1HD2 ASN 62 1HD2 ASN 62 -0.448 -14.551 5.870 514 2HD2 ASN 62 2HD2 ASN 62 -0.599 -13.733 4.390 515 HA PRO 63 HA PRO 63 0.416 -17.740 9.214 516 1HB PRO 63 2HB PRO 63 -1.596 -17.852 11.051 517 2HB PRO 63 1HB PRO 63 -1.155 -16.359 10.202 518 1HG PRO 63 2HG PRO 63 -3.564 -17.946 9.946 519 2HG PRO 63 1HG PRO 63 -3.201 -16.354 9.270 520 1HD PRO 63 2HD PRO 63 -3.031 -18.999 7.991 521 2HD PRO 63 1HD PRO 63 -3.118 -17.391 7.249 522 H GLN 64 H GLN 64 -1.627 -20.273 8.068 523 HA GLN 64 HA GLN 64 -0.513 -22.102 10.166 524 1HB GLN 64 2HB GLN 64 -3.358 -22.063 9.136 525 2HB GLN 64 1HB GLN 64 -2.732 -23.037 10.466 526 1HG GLN 64 2HG GLN 64 -2.011 -20.678 11.424 527 2HG GLN 64 1HG GLN 64 -3.298 -20.099 10.367 528 1HE2 GLN 64 1HE2 GLN 64 -2.978 -23.028 12.467 529 2HE2 GLN 64 2HE2 GLN 64 -4.446 -22.780 13.281 530 H THR 65 H THR 65 0.655 -22.063 7.722 531 HA THR 65 HA THR 65 1.001 -23.226 5.678 532 HB THR 65 HB THR 65 2.048 -24.454 7.533 533 HG1 THR 65 HG1 THR 65 2.382 -25.419 5.615 534 1HG2 THR 65 1HG2 THR 65 -0.661 -25.782 7.656 535 2HG2 THR 65 2HG2 THR 65 0.228 -24.997 8.960 536 3HG2 THR 65 3HG2 THR 65 0.784 -26.543 8.321 537 H GLN 66 H GLN 66 -2.113 -22.892 6.374 538 HA GLN 66 HA GLN 66 -3.078 -24.244 4.059 539 1HB GLN 66 2HB GLN 66 -4.150 -26.189 5.026 540 2HB GLN 66 1HB GLN 66 -2.464 -26.207 5.527 541 1HG GLN 66 2HG GLN 66 -3.742 -24.699 7.503 542 2HG GLN 66 1HG GLN 66 -4.871 -26.008 7.159 543 1HE2 GLN 66 1HE2 GLN 66 -2.735 -25.422 9.420 544 2HE2 GLN 66 2HE2 GLN 66 -1.950 -26.919 9.575 545 H GLU 67 H GLU 67 -3.565 -21.690 5.756 546 HA GLU 67 HA GLU 67 -6.508 -21.777 5.452 547 1HB GLU 67 2HB GLU 67 -5.076 -22.072 7.993 548 2HB GLU 67 1HB GLU 67 -6.216 -20.727 8.015 549 1HG GLU 67 2HG GLU 67 -7.992 -22.253 7.169 550 2HG GLU 67 1HG GLU 67 -6.848 -23.593 7.254 551 H ALA 68 H ALA 68 -6.085 -20.078 3.893 552 HA ALA 68 HA ALA 68 -4.632 -17.694 4.702 553 1HB ALA 68 1HB ALA 68 -6.315 -17.093 2.517 554 2HB ALA 68 2HB ALA 68 -5.867 -18.775 2.316 555 3HB ALA 68 3HB ALA 68 -4.617 -17.554 2.441 556 H LEU 69 H LEU 69 -5.959 -17.647 6.706 557 HA LEU 69 HA LEU 69 -8.423 -17.297 7.505 558 1HB LEU 69 2HB LEU 69 -7.872 -14.933 8.357 559 2HB LEU 69 1HB LEU 69 -6.696 -16.191 8.743 560 HG LEU 69 HG LEU 69 -6.193 -14.964 6.132 561 1HD1 LEU 69 1HD1 LEU 69 -7.177 -13.110 7.814 562 2HD1 LEU 69 2HD1 LEU 69 -5.843 -12.757 6.715 563 3HD1 LEU 69 3HD1 LEU 69 -5.515 -13.143 8.404 564 1HD2 LEU 69 1HD2 LEU 69 -4.376 -14.896 8.532 565 2HD2 LEU 69 2HD2 LEU 69 -3.968 -15.136 6.833 566 3HD2 LEU 69 3HD2 LEU 69 -4.736 -16.433 7.746 567 H GLU 70 H GLU 70 -9.929 -17.323 5.775 568 HA GLU 70 HA GLU 70 -10.234 -15.766 3.533 569 1HB GLU 70 2HB GLU 70 -12.210 -16.847 5.544 570 2HB GLU 70 1HB GLU 70 -12.745 -16.081 4.048 571 1HG GLU 70 2HG GLU 70 -11.991 -17.802 2.735 572 2HG GLU 70 1HG GLU 70 -10.611 -18.132 3.782 573 H ILE 71 H ILE 71 -9.746 -13.529 3.635 574 HA ILE 71 HA ILE 71 -11.681 -11.869 5.102 575 HB ILE 71 HB ILE 71 -9.717 -10.511 5.850 576 1HG1 ILE 71 2HG1 ILE 71 -7.647 -12.180 6.088 577 2HG1 ILE 71 1HG1 ILE 71 -8.308 -12.807 4.583 578 1HG2 ILE 71 1HG2 ILE 71 -9.386 -11.901 7.794 579 2HG2 ILE 71 2HG2 ILE 71 -9.812 -13.345 6.875 580 3HG2 ILE 71 3HG2 ILE 71 -11.042 -12.135 7.235 581 1HD1 ILE 71 1HD1 ILE 71 -6.709 -10.501 4.927 582 2HD1 ILE 71 2HD1 ILE 71 -8.322 -9.935 4.495 583 3HD1 ILE 71 3HD1 ILE 71 -7.473 -11.069 3.443 584 H ALA 72 H ALA 72 -12.531 -10.703 3.623 585 HA ALA 72 HA ALA 72 -11.942 -8.513 2.336 586 1HB ALA 72 1HB ALA 72 -9.789 -9.138 1.643 587 2HB ALA 72 2HB ALA 72 -10.742 -9.222 0.163 588 3HB ALA 72 3HB ALA 72 -10.341 -10.700 1.034 589 HA PRO 73 HA PRO 73 -15.234 -10.933 0.006 590 1HB PRO 73 2HB PRO 73 -17.426 -10.676 1.602 591 2HB PRO 73 1HB PRO 73 -16.283 -12.024 1.757 592 1HG PRO 73 2HG PRO 73 -16.654 -9.665 3.480 593 2HG PRO 73 1HG PRO 73 -16.031 -11.269 3.878 594 1HD PRO 73 2HD PRO 73 -14.518 -8.926 3.445 595 2HD PRO 73 1HD PRO 73 -13.911 -10.581 3.622 596 H SER 74 H SER 74 -14.739 -8.699 -1.113 597 HA SER 74 HA SER 74 -17.179 -7.239 -1.463 598 1HB SER 74 2HB SER 74 -16.544 -5.142 -0.312 599 2HB SER 74 1HB SER 74 -16.640 -6.481 0.826 600 HG SER 74 HG SER 74 -14.351 -6.712 0.547 601 H VAL 75 H VAL 75 -14.582 -8.265 -2.683 602 HA VAL 75 HA VAL 75 -14.240 -7.365 -5.098 603 HB VAL 75 HB VAL 75 -14.646 -5.009 -4.090 604 1HG1 VAL 75 1HG1 VAL 75 -12.599 -3.843 -3.332 605 2HG1 VAL 75 2HG1 VAL 75 -11.693 -5.348 -3.460 606 3HG1 VAL 75 3HG1 VAL 75 -12.981 -5.194 -2.265 607 1HG2 VAL 75 1HG2 VAL 75 -13.415 -5.841 -6.381 608 2HG2 VAL 75 2HG2 VAL 75 -12.171 -4.804 -5.681 609 3HG2 VAL 75 3HG2 VAL 75 -13.779 -4.157 -6.004 610 H GLY 76 H GLY 76 -11.653 -6.718 -5.624 611 1HA GLY 76 2HA GLY 76 -10.078 -8.484 -3.793 612 2HA GLY 76 1HA GLY 76 -9.886 -8.549 -5.545 613 H VAL 77 H VAL 77 -9.933 -6.050 -3.011 614 HA VAL 77 HA VAL 77 -8.500 -4.024 -4.238 615 HB VAL 77 HB VAL 77 -9.515 -3.826 -2.039 616 1HG1 VAL 77 1HG1 VAL 77 -7.709 -6.136 -1.436 617 2HG1 VAL 77 2HG1 VAL 77 -9.392 -5.884 -0.990 618 3HG1 VAL 77 3HG1 VAL 77 -8.116 -5.033 -0.126 619 1HG2 VAL 77 1HG2 VAL 77 -6.496 -3.529 -1.975 620 2HG2 VAL 77 2HG2 VAL 77 -7.525 -3.006 -0.647 621 3HG2 VAL 77 3HG2 VAL 77 -7.701 -2.272 -2.240 622 H SER 78 H SER 78 -6.907 -5.217 -5.634 623 HA SER 78 HA SER 78 -4.694 -6.575 -4.248 624 1HB SER 78 2HB SER 78 -4.307 -5.831 -7.056 625 2HB SER 78 1HB SER 78 -4.316 -7.426 -6.315 626 HG SER 78 HG SER 78 -6.105 -7.430 -7.534 627 H VAL 79 H VAL 79 -2.437 -5.843 -4.994 628 HA VAL 79 HA VAL 79 -1.730 -3.185 -5.667 629 HB VAL 79 HB VAL 79 -2.900 -2.530 -3.636 630 1HG1 VAL 79 1HG1 VAL 79 -3.191 -4.407 -2.318 631 2HG1 VAL 79 2HG1 VAL 79 -1.884 -3.619 -1.434 632 3HG1 VAL 79 3HG1 VAL 79 -1.527 -4.948 -2.538 633 1HG2 VAL 79 1HG2 VAL 79 -0.578 -1.557 -4.041 634 2HG2 VAL 79 2HG2 VAL 79 0.008 -2.693 -2.825 635 3HG2 VAL 79 3HG2 VAL 79 -1.168 -1.458 -2.383 636 H LYS 80 H LYS 80 0.684 -2.792 -4.755 637 HA LYS 80 HA LYS 80 2.158 -5.005 -3.716 638 1HB LYS 80 2HB LYS 80 3.300 -5.637 -5.859 639 2HB LYS 80 1HB LYS 80 1.579 -6.010 -5.875 640 1HG LYS 80 2HG LYS 80 2.177 -3.291 -6.809 641 2HG LYS 80 1HG LYS 80 2.910 -4.547 -7.808 642 1HD LYS 80 2HD LYS 80 0.575 -5.683 -7.708 643 2HD LYS 80 1HD LYS 80 -0.006 -4.098 -7.194 644 1HE LYS 80 2HE LYS 80 -0.195 -3.755 -9.464 645 2HE LYS 80 1HE LYS 80 1.539 -3.395 -9.338 646 1HZ LYS 80 1HZ LYS 80 1.283 -5.087 -10.976 647 2HZ LYS 80 2HZ LYS 80 0.287 -6.015 -9.960 648 3HZ LYS 80 3HZ LYS 80 1.935 -5.825 -9.596 649 HA PRO 81 HA PRO 81 5.262 -1.820 -3.881 650 1HB PRO 81 2HB PRO 81 7.432 -3.357 -3.282 651 2HB PRO 81 1HB PRO 81 6.140 -3.032 -2.110 652 1HG PRO 81 2HG PRO 81 6.806 -5.517 -3.465 653 2HG PRO 81 1HG PRO 81 5.743 -5.246 -2.079 654 1HD PRO 81 2HD PRO 81 5.030 -5.590 -4.883 655 2HD PRO 81 1HD PRO 81 3.979 -5.584 -3.449 656 H GLY 82 H GLY 82 6.524 -0.860 -5.487 657 1HA GLY 82 2HA GLY 82 7.272 -2.490 -7.841 658 2HA GLY 82 1HA GLY 82 7.359 -0.728 -7.737 659 H GLU 83 H GLU 83 9.615 -0.932 -8.537 660 HA GLU 83 HA GLU 83 11.533 -2.216 -6.685 661 1HB GLU 83 2HB GLU 83 13.160 -1.525 -8.436 662 2HB GLU 83 1HB GLU 83 11.821 -2.467 -9.088 663 1HG GLU 83 2HG GLU 83 11.100 0.323 -9.084 664 2HG GLU 83 1HG GLU 83 12.660 0.127 -9.885 665 H SER 84 H SER 84 10.147 0.898 -7.228 666 HA SER 84 HA SER 84 12.212 2.682 -6.505 667 1HB SER 84 2HB SER 84 9.580 2.860 -7.081 668 2HB SER 84 1HB SER 84 9.493 3.054 -5.332 669 HG SER 84 HG SER 84 9.857 4.995 -6.746 670 H LEU 85 H LEU 85 10.175 0.600 -4.483 671 HA LEU 85 HA LEU 85 11.314 1.618 -1.971 672 1HB LEU 85 2HB LEU 85 9.789 -0.959 -2.324 673 2HB LEU 85 1HB LEU 85 9.774 0.145 -0.956 674 HG LEU 85 HG LEU 85 8.871 1.651 -3.170 675 1HD1 LEU 85 1HD1 LEU 85 8.467 -0.442 -4.374 676 2HD1 LEU 85 2HD1 LEU 85 6.931 0.292 -3.915 677 3HD1 LEU 85 3HD1 LEU 85 7.560 -1.076 -3.002 678 1HD2 LEU 85 1HD2 LEU 85 7.307 2.221 -1.631 679 2HD2 LEU 85 2HD2 LEU 85 8.153 1.136 -0.531 680 3HD2 LEU 85 3HD2 LEU 85 6.768 0.552 -1.452 681 H LYS 86 H LYS 86 11.750 -1.124 -4.164 682 HA LYS 86 HA LYS 86 13.469 -2.641 -2.413 683 1HB LYS 86 2HB LYS 86 12.271 -2.838 -5.002 684 2HB LYS 86 1HB LYS 86 13.995 -3.164 -5.177 685 1HG LYS 86 2HG LYS 86 13.790 -4.773 -3.233 686 2HG LYS 86 1HG LYS 86 12.042 -4.567 -3.338 687 1HD LYS 86 2HD LYS 86 12.361 -5.156 -5.857 688 2HD LYS 86 1HD LYS 86 13.913 -5.815 -5.338 689 1HE LYS 86 2HE LYS 86 12.268 -6.898 -3.448 690 2HE LYS 86 1HE LYS 86 11.181 -6.849 -4.850 691 1HZ LYS 86 1HZ LYS 86 12.825 -7.932 -6.185 692 2HZ LYS 86 2HZ LYS 86 12.602 -8.863 -4.782 693 3HZ LYS 86 3HZ LYS 86 13.970 -7.868 -4.937 694 H LYS 87 H LYS 87 14.076 -0.375 -5.061 695 HA LYS 87 HA LYS 87 16.946 -0.545 -4.931 696 1HB LYS 87 2HB LYS 87 15.598 0.400 -6.822 697 2HB LYS 87 1HB LYS 87 15.107 1.731 -5.775 698 1HG LYS 87 2HG LYS 87 16.927 2.784 -6.656 699 2HG LYS 87 1HG LYS 87 17.822 1.821 -5.479 700 1HD LYS 87 2HD LYS 87 18.019 0.013 -7.224 701 2HD LYS 87 1HD LYS 87 17.315 1.137 -8.387 702 1HE LYS 87 2HE LYS 87 19.206 2.767 -7.613 703 2HE LYS 87 1HE LYS 87 19.988 1.295 -7.003 704 1HZ LYS 87 1HZ LYS 87 19.047 1.817 -9.770 705 2HZ LYS 87 2HZ LYS 87 19.523 0.282 -9.216 706 3HZ LYS 87 3HZ LYS 87 20.645 1.558 -9.262 707 H ALA 88 H ALA 88 14.441 1.390 -3.374 708 HA ALA 88 HA ALA 88 16.202 3.075 -1.831 709 1HB ALA 88 1HB ALA 88 13.416 2.050 -1.180 710 2HB ALA 88 2HB ALA 88 13.723 3.372 -2.306 711 3HB ALA 88 3HB ALA 88 14.152 3.546 -0.605 712 H ALA 89 H ALA 89 14.801 -0.150 -1.501 713 HA ALA 89 HA ALA 89 15.409 -0.722 1.204 714 1HB ALA 89 1HB ALA 89 15.819 -2.757 -0.966 715 2HB ALA 89 2HB ALA 89 14.217 -2.050 -0.753 716 3HB ALA 89 3HB ALA 89 14.976 -2.930 0.571 717 H GLU 90 H GLU 90 17.441 -1.108 -1.700 718 HA GLU 90 HA GLU 90 19.780 -2.136 -0.466 719 1HB GLU 90 2HB GLU 90 19.059 -0.510 -2.858 720 2HB GLU 90 1HB GLU 90 20.751 -0.435 -2.365 721 1HG GLU 90 2HG GLU 90 20.889 -2.315 -3.673 722 2HG GLU 90 1HG GLU 90 20.366 -3.096 -2.181 723 H GLY 91 H GLY 91 18.343 1.060 -0.590 724 1HA GLY 91 2HA GLY 91 20.514 2.549 0.561 725 2HA GLY 91 1HA GLY 91 18.820 3.039 0.579 726 H LEU 92 H LEU 92 17.781 0.738 2.080 727 HA LEU 92 HA LEU 92 18.371 1.637 4.770 728 1HB LEU 92 2HB LEU 92 16.560 0.275 5.290 729 2HB LEU 92 1HB LEU 92 16.289 0.503 3.571 730 HG LEU 92 HG LEU 92 17.922 -1.671 3.503 731 1HD1 LEU 92 1HD1 LEU 92 16.341 -2.913 5.483 732 2HD1 LEU 92 2HD1 LEU 92 16.967 -1.442 6.229 733 3HD1 LEU 92 3HD1 LEU 92 18.080 -2.624 5.540 734 1HD2 LEU 92 1HD2 LEU 92 16.092 -2.325 2.365 735 2HD2 LEU 92 2HD2 LEU 92 15.125 -1.085 3.163 736 3HD2 LEU 92 3HD2 LEU 92 15.291 -2.679 3.895 737 H LYS 93 H LYS 93 20.424 -0.023 2.868 738 HA LYS 93 HA LYS 93 22.211 -1.506 3.315 739 1HB LYS 93 2HB LYS 93 21.365 -1.026 6.204 740 2HB LYS 93 1HB LYS 93 22.934 -1.613 5.658 741 1HG LYS 93 2HG LYS 93 21.934 1.004 4.591 742 2HG LYS 93 1HG LYS 93 22.590 0.950 6.226 743 1HD LYS 93 2HD LYS 93 24.517 -0.438 4.998 744 2HD LYS 93 1HD LYS 93 23.969 0.510 3.617 745 1HE LYS 93 2HE LYS 93 24.122 2.545 5.259 746 2HE LYS 93 1HE LYS 93 25.180 1.476 6.201 747 1HZ LYS 93 1HZ LYS 93 25.477 2.230 3.342 748 2HZ LYS 93 2HZ LYS 93 26.386 1.006 4.094 749 3HZ LYS 93 3HZ LYS 93 26.529 2.617 4.615 750 H TYR 94 H TYR 94 19.658 -2.428 2.672 751 HA TYR 94 HA TYR 94 18.232 -4.246 4.100 752 1HB TYR 94 2HB TYR 94 17.476 -4.470 1.993 753 2HB TYR 94 1HB TYR 94 18.956 -3.754 1.364 754 HD1 TYR 94 HD1 TYR 94 17.467 -6.942 2.562 755 HD2 TYR 94 HD2 TYR 94 20.561 -5.062 0.264 756 HE1 TYR 94 HE1 TYR 94 18.201 -9.171 1.746 757 HE2 TYR 94 HE2 TYR 94 21.301 -7.288 -0.562 758 HH TYR 94 HH TYR 94 21.112 -9.752 0.381 759 H GLU 95 H GLU 95 21.480 -4.876 2.771 760 HA GLU 95 HA GLU 95 21.659 -7.632 3.485 761 1HB GLU 95 2HB GLU 95 24.107 -7.209 3.297 762 2HB GLU 95 1HB GLU 95 23.204 -6.498 1.961 763 1HG GLU 95 2HG GLU 95 24.493 -4.673 2.515 764 2HG GLU 95 1HG GLU 95 23.157 -4.397 3.630 765 H ASP 96 H ASP 96 22.391 -4.680 5.317 766 HA ASP 96 HA ASP 96 23.521 -5.910 7.641 767 1HB ASP 96 2HB ASP 96 22.782 -3.349 6.711 768 2HB ASP 96 1HB ASP 96 21.852 -3.586 8.191 769 H PHE 97 H PHE 97 20.228 -5.296 6.567 770 HA PHE 97 HA PHE 97 18.920 -6.165 9.022 771 1HB PHE 97 2HB PHE 97 18.283 -4.900 6.588 772 2HB PHE 97 1HB PHE 97 17.377 -6.412 6.561 773 HD1 PHE 97 HD1 PHE 97 17.743 -3.141 8.134 774 HD2 PHE 97 HD2 PHE 97 15.784 -6.955 8.395 775 HE1 PHE 97 HE1 PHE 97 16.088 -2.183 9.714 776 HE2 PHE 97 HE2 PHE 97 14.129 -5.998 9.976 777 HZ PHE 97 HZ PHE 97 14.282 -3.612 10.636 778 H ALA 98 H ALA 98 20.217 -7.717 6.175 779 HA ALA 98 HA ALA 98 18.736 -10.204 6.381 780 1HB ALA 98 1HB ALA 98 21.104 -10.701 5.026 781 2HB ALA 98 2HB ALA 98 20.882 -8.966 4.802 782 3HB ALA 98 3HB ALA 98 19.624 -10.090 4.288 783 H LYS 99 H LYS 99 21.976 -9.143 7.403 784 HA LYS 99 HA LYS 99 22.451 -11.728 8.780 785 1HB LYS 99 2HB LYS 99 24.118 -9.215 8.412 786 2HB LYS 99 1HB LYS 99 24.705 -10.729 9.100 787 1HG LYS 99 2HG LYS 99 24.299 -11.903 7.017 788 2HG LYS 99 1HG LYS 99 23.519 -10.482 6.323 789 1HD LYS 99 2HD LYS 99 25.941 -9.453 7.111 790 2HD LYS 99 1HD LYS 99 26.388 -11.089 6.626 791 1HE LYS 99 2HE LYS 99 25.152 -10.714 4.457 792 2HE LYS 99 1HE LYS 99 24.945 -9.018 4.937 793 1HZ LYS 99 1HZ LYS 99 26.978 -9.348 3.630 794 2HZ LYS 99 2HZ LYS 99 27.547 -10.449 4.793 795 3HZ LYS 99 3HZ LYS 99 27.324 -8.815 5.202 796 1H MET 1 1H MET 1 -5.290 6.303 -10.568 797 2H MET 1 2H MET 1 -5.645 7.300 -11.896 798 3H MET 1 3H MET 1 -6.620 7.356 -10.506 799 HA MET 1 HA MET 1 -4.732 9.151 -10.963 800 1HB MET 1 2HB MET 1 -4.658 9.293 -8.398 801 2HB MET 1 1HB MET 1 -6.247 9.357 -9.152 802 1HG MET 1 2HG MET 1 -5.919 6.653 -8.784 803 2HG MET 1 1HG MET 1 -5.082 7.312 -7.382 804 1HE MET 1 1HE MET 1 -5.927 9.490 -6.426 805 2HE MET 1 2HE MET 1 -6.513 8.375 -5.193 806 3HE MET 1 3HE MET 1 -7.566 9.660 -5.782 807 H ASN 2 H ASN 2 -2.831 9.491 -9.185 808 HA ASN 2 HA ASN 2 -1.210 7.275 -8.507 809 1HB ASN 2 2HB ASN 2 0.516 7.520 -10.313 810 2HB ASN 2 1HB ASN 2 -1.048 7.023 -10.949 811 1HD2 ASN 2 1HD2 ASN 2 -1.892 8.304 -12.609 812 2HD2 ASN 2 2HD2 ASN 2 -1.355 9.868 -12.991 813 H LYS 3 H LYS 3 1.367 8.611 -9.067 814 HA LYS 3 HA LYS 3 1.594 10.271 -6.768 815 1HB LYS 3 2HB LYS 3 3.221 9.233 -8.884 816 2HB LYS 3 1HB LYS 3 3.565 10.956 -8.744 817 1HG LYS 3 2HG LYS 3 3.629 10.404 -6.148 818 2HG LYS 3 1HG LYS 3 3.966 8.774 -6.722 819 1HD LYS 3 2HD LYS 3 5.777 9.844 -8.203 820 2HD LYS 3 1HD LYS 3 5.570 11.287 -7.221 821 1HE LYS 3 2HE LYS 3 6.630 10.350 -5.394 822 2HE LYS 3 1HE LYS 3 5.958 8.737 -5.709 823 1HZ LYS 3 1HZ LYS 3 8.422 9.104 -6.212 824 2HZ LYS 3 2HZ LYS 3 7.893 9.985 -7.564 825 3HZ LYS 3 3HZ LYS 3 7.485 8.343 -7.404 826 H THR 4 H THR 4 -0.048 10.989 -9.629 827 HA THR 4 HA THR 4 0.494 13.923 -9.403 828 HB THR 4 HB THR 4 -0.640 12.148 -11.583 829 HG1 THR 4 HG1 THR 4 1.668 13.787 -11.438 830 1HG2 THR 4 1HG2 THR 4 -0.700 15.106 -11.215 831 2HG2 THR 4 2HG2 THR 4 -1.845 14.053 -12.045 832 3HG2 THR 4 3HG2 THR 4 -0.329 14.499 -12.829 833 H GLU 5 H GLU 5 -2.211 11.654 -9.995 834 HA GLU 5 HA GLU 5 -4.268 13.575 -9.422 835 1HB GLU 5 2HB GLU 5 -3.992 10.670 -9.877 836 2HB GLU 5 1HB GLU 5 -5.396 11.141 -8.919 837 1HG GLU 5 2HG GLU 5 -5.566 12.999 -10.859 838 2HG GLU 5 1HG GLU 5 -4.770 11.716 -11.770 839 H LEU 6 H LEU 6 -2.773 11.000 -7.404 840 HA LEU 6 HA LEU 6 -4.250 11.347 -5.039 841 1HB LEU 6 2HB LEU 6 -1.360 10.722 -5.640 842 2HB LEU 6 1HB LEU 6 -1.928 10.782 -3.973 843 HG LEU 6 HG LEU 6 -3.179 9.078 -6.147 844 1HD1 LEU 6 1HD1 LEU 6 -0.959 8.609 -4.224 845 2HD1 LEU 6 2HD1 LEU 6 -1.255 7.878 -5.802 846 3HD1 LEU 6 3HD1 LEU 6 -2.144 7.313 -4.388 847 1HD2 LEU 6 1HD2 LEU 6 -3.681 9.497 -3.204 848 2HD2 LEU 6 2HD2 LEU 6 -4.107 7.968 -3.973 849 3HD2 LEU 6 3HD2 LEU 6 -4.844 9.470 -4.529 850 H ILE 7 H ILE 7 -1.292 13.177 -5.958 851 HA ILE 7 HA ILE 7 -1.237 14.993 -3.783 852 HB ILE 7 HB ILE 7 0.457 15.845 -5.013 853 1HG1 ILE 7 2HG1 ILE 7 -1.325 16.450 -7.366 854 2HG1 ILE 7 1HG1 ILE 7 -1.399 17.415 -5.890 855 1HG2 ILE 7 1HG2 ILE 7 0.850 14.961 -7.352 856 2HG2 ILE 7 2HG2 ILE 7 -0.634 14.040 -7.162 857 3HG2 ILE 7 3HG2 ILE 7 0.725 13.742 -6.085 858 1HD1 ILE 7 1HD1 ILE 7 0.320 18.594 -6.734 859 2HD1 ILE 7 2HD1 ILE 7 0.635 17.386 -7.979 860 3HD1 ILE 7 3HD1 ILE 7 1.319 17.190 -6.366 861 H LYS 8 H LYS 8 -2.932 15.245 -6.886 862 HA LYS 8 HA LYS 8 -4.457 17.578 -6.409 863 1HB LYS 8 2HB LYS 8 -4.124 15.660 -8.366 864 2HB LYS 8 1HB LYS 8 -5.763 15.328 -7.813 865 1HG LYS 8 2HG LYS 8 -5.664 18.106 -7.999 866 2HG LYS 8 1HG LYS 8 -4.762 17.550 -9.407 867 1HD LYS 8 2HD LYS 8 -7.612 16.879 -8.641 868 2HD LYS 8 1HD LYS 8 -7.041 17.657 -10.116 869 1HE LYS 8 2HE LYS 8 -5.648 15.249 -10.120 870 2HE LYS 8 1HE LYS 8 -7.246 14.794 -9.496 871 1HZ LYS 8 1HZ LYS 8 -8.299 15.899 -11.314 872 2HZ LYS 8 2HZ LYS 8 -7.124 14.858 -11.966 873 3HZ LYS 8 3HZ LYS 8 -6.826 16.529 -11.872 874 H ALA 9 H ALA 9 -5.006 14.173 -5.490 875 HA ALA 9 HA ALA 9 -7.665 14.353 -4.523 876 1HB ALA 9 1HB ALA 9 -5.523 12.833 -3.069 877 2HB ALA 9 2HB ALA 9 -5.867 12.421 -4.749 878 3HB ALA 9 3HB ALA 9 -7.140 12.303 -3.533 879 H ILE 10 H ILE 10 -4.571 15.279 -3.049 880 HA ILE 10 HA ILE 10 -5.894 16.124 -0.551 881 HB ILE 10 HB ILE 10 -3.135 15.737 -1.685 882 1HG1 ILE 10 2HG1 ILE 10 -2.812 14.634 0.537 883 2HG1 ILE 10 1HG1 ILE 10 -4.479 15.048 0.937 884 1HG2 ILE 10 1HG2 ILE 10 -3.860 17.767 0.394 885 2HG2 ILE 10 2HG2 ILE 10 -2.624 17.841 -0.859 886 3HG2 ILE 10 3HG2 ILE 10 -2.360 16.859 0.581 887 1HD1 ILE 10 1HD1 ILE 10 -4.321 12.741 0.071 888 2HD1 ILE 10 2HD1 ILE 10 -3.615 13.356 -1.424 889 3HD1 ILE 10 3HD1 ILE 10 -5.278 13.761 -1.002 890 H ALA 11 H ALA 11 -4.433 17.351 -3.497 891 HA ALA 11 HA ALA 11 -4.484 20.139 -2.740 892 1HB ALA 11 1HB ALA 11 -3.588 20.332 -4.861 893 2HB ALA 11 2HB ALA 11 -4.849 19.330 -5.581 894 3HB ALA 11 3HB ALA 11 -3.480 18.574 -4.765 895 H GLN 12 H GLN 12 -6.899 17.835 -3.441 896 HA GLN 12 HA GLN 12 -8.913 19.948 -4.054 897 1HB GLN 12 2HB GLN 12 -8.693 18.265 -5.800 898 2HB GLN 12 1HB GLN 12 -8.771 16.965 -4.612 899 1HG GLN 12 2HG GLN 12 -10.938 17.165 -5.693 900 2HG GLN 12 1HG GLN 12 -11.086 17.711 -4.023 901 1HE2 GLN 12 1HE2 GLN 12 -9.878 19.365 -6.999 902 2HE2 GLN 12 2HE2 GLN 12 -10.908 20.706 -6.845 903 H ASP 13 H ASP 13 -8.313 16.968 -2.138 904 HA ASP 13 HA ASP 13 -10.722 17.264 -0.516 905 1HB ASP 13 2HB ASP 13 -8.060 15.834 -0.175 906 2HB ASP 13 1HB ASP 13 -9.369 15.702 0.998 907 H THR 14 H THR 14 -7.584 18.609 -0.693 908 HA THR 14 HA THR 14 -7.957 20.136 1.844 909 HB THR 14 HB THR 14 -5.244 19.919 0.800 910 HG1 THR 14 HG1 THR 14 -6.623 17.530 1.468 911 1HG2 THR 14 1HG2 THR 14 -4.774 19.487 3.020 912 2HG2 THR 14 2HG2 THR 14 -6.310 18.665 3.286 913 3HG2 THR 14 3HG2 THR 14 -6.263 20.421 3.135 914 H GLY 15 H GLY 15 -5.606 20.627 -0.784 915 1HA GLY 15 2HA GLY 15 -5.357 22.387 -2.318 916 2HA GLY 15 1HA GLY 15 -7.088 22.674 -2.157 917 H LEU 16 H LEU 16 -6.627 22.923 0.833 918 HA LEU 16 HA LEU 16 -6.877 25.489 1.492 919 1HB LEU 16 2HB LEU 16 -4.586 24.721 3.040 920 2HB LEU 16 1HB LEU 16 -6.270 24.802 3.541 921 HG LEU 16 HG LEU 16 -6.607 22.556 2.531 922 1HD1 LEU 16 1HD1 LEU 16 -4.581 21.214 2.036 923 2HD1 LEU 16 2HD1 LEU 16 -3.575 22.622 2.344 924 3HD1 LEU 16 3HD1 LEU 16 -4.670 22.602 0.970 925 1HD2 LEU 16 1HD2 LEU 16 -6.287 22.650 4.914 926 2HD2 LEU 16 2HD2 LEU 16 -4.556 22.934 4.732 927 3HD2 LEU 16 3HD2 LEU 16 -5.236 21.361 4.339 928 H THR 17 H THR 17 -3.629 24.235 0.987 929 HA THR 17 HA THR 17 -2.777 26.862 -0.122 930 HB THR 17 HB THR 17 -2.288 25.909 2.430 931 HG1 THR 17 HG1 THR 17 -0.712 27.543 2.446 932 1HG2 THR 17 1HG2 THR 17 -0.878 24.118 1.705 933 2HG2 THR 17 2HG2 THR 17 0.153 25.360 2.407 934 3HG2 THR 17 3HG2 THR 17 0.052 25.189 0.659 935 H GLN 18 H GLN 18 -3.076 23.550 -0.580 936 HA GLN 18 HA GLN 18 -2.007 22.018 -2.032 937 1HB GLN 18 2HB GLN 18 -0.817 24.504 -3.300 938 2HB GLN 18 1HB GLN 18 -1.266 22.994 -4.096 939 1HG GLN 18 2HG GLN 18 -3.670 23.593 -3.172 940 2HG GLN 18 1HG GLN 18 -3.019 25.231 -3.148 941 1HE2 GLN 18 1HE2 GLN 18 -1.300 25.002 -5.471 942 2HE2 GLN 18 2HE2 GLN 18 -2.296 24.847 -6.837 943 H VAL 19 H VAL 19 -0.849 23.025 0.420 944 HA VAL 19 HA VAL 19 1.476 23.734 1.122 945 HB VAL 19 HB VAL 19 0.547 22.064 2.494 946 1HG1 VAL 19 1HG1 VAL 19 0.261 20.583 -0.007 947 2HG1 VAL 19 2HG1 VAL 19 -0.693 20.488 1.472 948 3HG1 VAL 19 3HG1 VAL 19 0.800 19.563 1.326 949 1HG2 VAL 19 1HG2 VAL 19 3.216 21.858 1.870 950 2HG2 VAL 19 2HG2 VAL 19 2.664 20.195 1.704 951 3HG2 VAL 19 3HG2 VAL 19 2.431 21.056 3.225 952 H SER 20 H SER 20 2.214 20.611 -0.172 953 HA SER 20 HA SER 20 3.987 21.788 -2.207 954 1HB SER 20 2HB SER 20 4.616 20.352 0.228 955 2HB SER 20 1HB SER 20 5.246 19.521 -1.173 956 HG SER 20 HG SER 20 5.961 21.801 -1.754 957 H VAL 21 H VAL 21 1.270 20.375 -2.124 958 HA VAL 21 HA VAL 21 0.802 17.876 -2.693 959 HB VAL 21 HB VAL 21 -0.286 18.542 -4.833 960 1HG1 VAL 21 1HG1 VAL 21 -1.900 19.790 -3.760 961 2HG1 VAL 21 2HG1 VAL 21 -0.715 20.855 -3.005 962 3HG1 VAL 21 3HG1 VAL 21 -0.988 19.239 -2.354 963 1HG2 VAL 21 1HG2 VAL 21 1.302 21.075 -4.367 964 2HG2 VAL 21 2HG2 VAL 21 -0.062 20.974 -5.479 965 3HG2 VAL 21 3HG2 VAL 21 1.386 20.009 -5.770 966 H SER 22 H SER 22 3.041 19.783 -4.526 967 HA SER 22 HA SER 22 3.897 17.557 -6.272 968 1HB SER 22 2HB SER 22 3.841 20.028 -6.858 969 2HB SER 22 1HB SER 22 5.197 20.248 -5.756 970 HG SER 22 HG SER 22 5.715 19.869 -8.041 971 H LYS 23 H LYS 23 5.189 19.314 -3.450 972 HA LYS 23 HA LYS 23 7.562 17.598 -3.331 973 1HB LYS 23 2HB LYS 23 6.743 20.178 -2.486 974 2HB LYS 23 1HB LYS 23 7.158 19.270 -1.034 975 1HG LYS 23 2HG LYS 23 9.111 18.724 -3.067 976 2HG LYS 23 1HG LYS 23 8.924 20.469 -2.903 977 1HD LYS 23 2HD LYS 23 9.504 18.510 -0.660 978 2HD LYS 23 1HD LYS 23 10.629 19.689 -1.332 979 1HE LYS 23 2HE LYS 23 8.428 21.251 -0.671 980 2HE LYS 23 1HE LYS 23 8.512 20.081 0.661 981 1HZ LYS 23 1HZ LYS 23 10.910 21.468 -0.397 982 2HZ LYS 23 2HZ LYS 23 10.760 20.598 1.054 983 3HZ LYS 23 3HZ LYS 23 9.991 22.103 0.879 984 H MET 24 H MET 24 4.486 17.962 -1.476 985 HA MET 24 HA MET 24 5.381 16.094 0.557 986 1HB MET 24 2HB MET 24 2.695 15.954 0.782 987 2HB MET 24 1HB MET 24 3.639 17.271 1.456 988 1HG MET 24 2HG MET 24 2.651 18.772 0.094 989 2HG MET 24 1HG MET 24 2.943 17.769 -1.326 990 1HE MET 24 1HE MET 24 1.507 15.034 -0.784 991 2HE MET 24 2HE MET 24 1.883 16.104 -2.132 992 3HE MET 24 3HE MET 24 0.225 15.561 -1.884 993 H LEU 25 H LEU 25 3.807 15.815 -2.602 994 HA LEU 25 HA LEU 25 3.150 12.984 -2.218 995 1HB LEU 25 2HB LEU 25 2.192 13.222 -4.286 996 2HB LEU 25 1HB LEU 25 2.360 14.930 -3.920 997 HG LEU 25 HG LEU 25 4.702 14.712 -5.032 998 1HD1 LEU 25 1HD1 LEU 25 5.252 12.768 -6.042 999 2HD1 LEU 25 2HD1 LEU 25 3.665 12.625 -6.795 1000 3HD1 LEU 25 3HD1 LEU 25 3.916 12.044 -5.148 1001 1HD2 LEU 25 1HD2 LEU 25 2.226 15.468 -5.980 1002 2HD2 LEU 25 2HD2 LEU 25 2.774 14.317 -7.191 1003 3HD2 LEU 25 3HD2 LEU 25 3.757 15.723 -6.809 1004 H ALA 26 H ALA 26 5.771 14.873 -3.714 1005 HA ALA 26 HA ALA 26 7.319 12.599 -4.616 1006 1HB ALA 26 1HB ALA 26 7.909 15.508 -3.974 1007 2HB ALA 26 2HB ALA 26 7.684 14.789 -5.569 1008 3HB ALA 26 3HB ALA 26 9.130 14.418 -4.629 1009 H SER 27 H SER 27 6.796 14.275 -1.630 1010 HA SER 27 HA SER 27 9.133 13.109 -0.261 1011 1HB SER 27 2HB SER 27 8.493 15.260 0.507 1012 2HB SER 27 1HB SER 27 6.779 14.863 0.436 1013 HG SER 27 HG SER 27 7.069 14.490 2.492 1014 H PHE 28 H PHE 28 5.641 12.680 -0.546 1015 HA PHE 28 HA PHE 28 5.128 10.757 1.443 1016 1HB PHE 28 2HB PHE 28 3.206 11.374 0.361 1017 2HB PHE 28 1HB PHE 28 4.040 11.604 -1.171 1018 HD1 PHE 28 HD1 PHE 28 4.453 9.686 -2.684 1019 HD2 PHE 28 HD2 PHE 28 2.235 9.207 0.964 1020 HE1 PHE 28 HE1 PHE 28 3.556 7.570 -3.513 1021 HE2 PHE 28 HE2 PHE 28 1.333 7.084 0.122 1022 HZ PHE 28 HZ PHE 28 2.002 6.248 -2.106 1023 H GLU 29 H GLU 29 6.104 10.217 -1.946 1024 HA GLU 29 HA GLU 29 6.562 7.400 -1.657 1025 1HB GLU 29 2HB GLU 29 6.331 8.932 -3.754 1026 2HB GLU 29 1HB GLU 29 8.052 9.254 -3.515 1027 1HG GLU 29 2HG GLU 29 7.592 6.444 -3.232 1028 2HG GLU 29 1HG GLU 29 6.857 6.993 -4.737 1029 H LYS 30 H LYS 30 8.502 10.306 -1.311 1030 HA LYS 30 HA LYS 30 11.037 9.141 -0.877 1031 1HB LYS 30 2HB LYS 30 10.433 11.594 -1.129 1032 2HB LYS 30 1HB LYS 30 9.912 11.556 0.557 1033 1HG LYS 30 2HG LYS 30 12.093 10.983 1.328 1034 2HG LYS 30 1HG LYS 30 12.651 10.630 -0.308 1035 1HD LYS 30 2HD LYS 30 12.745 12.898 -0.907 1036 2HD LYS 30 1HD LYS 30 11.635 13.380 0.375 1037 1HE LYS 30 2HE LYS 30 14.142 12.091 1.305 1038 2HE LYS 30 1HE LYS 30 14.328 13.697 0.570 1039 1HZ LYS 30 1HZ LYS 30 12.361 12.989 2.685 1040 2HZ LYS 30 2HZ LYS 30 12.553 14.522 1.977 1041 3HZ LYS 30 3HZ LYS 30 13.792 13.864 2.935 1042 H ILE 31 H ILE 31 8.210 9.348 1.308 1043 HA ILE 31 HA ILE 31 9.985 8.091 3.366 1044 HB ILE 31 HB ILE 31 7.256 8.712 4.227 1045 1HG1 ILE 31 2HG1 ILE 31 8.389 11.232 4.426 1046 2HG1 ILE 31 1HG1 ILE 31 8.773 10.762 2.771 1047 1HG2 ILE 31 1HG2 ILE 31 9.841 9.797 5.320 1048 2HG2 ILE 31 2HG2 ILE 31 9.457 8.084 5.487 1049 3HG2 ILE 31 3HG2 ILE 31 8.391 9.299 6.192 1050 1HD1 ILE 31 1HD1 ILE 31 6.325 9.981 2.631 1051 2HD1 ILE 31 2HD1 ILE 31 6.619 11.721 2.613 1052 3HD1 ILE 31 3HD1 ILE 31 6.075 10.932 4.093 1053 H ILE 32 H ILE 32 7.320 7.570 1.235 1054 HA ILE 32 HA ILE 32 6.405 5.111 2.499 1055 HB ILE 32 HB ILE 32 6.172 6.105 -0.357 1056 1HG1 ILE 32 2HG1 ILE 32 5.141 7.284 1.932 1057 2HG1 ILE 32 1HG1 ILE 32 4.476 7.466 0.312 1058 1HG2 ILE 32 1HG2 ILE 32 4.171 4.574 -0.368 1059 2HG2 ILE 32 2HG2 ILE 32 4.704 3.954 1.194 1060 3HG2 ILE 32 3HG2 ILE 32 5.718 3.737 -0.233 1061 1HD1 ILE 32 1HD1 ILE 32 2.920 5.649 0.678 1062 2HD1 ILE 32 2HD1 ILE 32 2.780 6.771 2.031 1063 3HD1 ILE 32 3HD1 ILE 32 3.671 5.263 2.225 1064 H THR 33 H THR 33 8.124 5.745 -0.528 1065 HA THR 33 HA THR 33 9.091 3.078 -0.765 1066 HB THR 33 HB THR 33 9.168 5.641 -2.140 1067 HG1 THR 33 HG1 THR 33 9.844 3.264 -3.395 1068 1HG2 THR 33 1HG2 THR 33 11.679 3.964 -2.168 1069 2HG2 THR 33 2HG2 THR 33 11.534 5.648 -1.667 1070 3HG2 THR 33 3HG2 THR 33 11.299 5.208 -3.359 1071 H GLU 34 H GLU 34 10.383 6.094 0.655 1072 HA GLU 34 HA GLU 34 12.994 4.925 1.194 1073 1HB GLU 34 2HB GLU 34 11.529 7.385 2.124 1074 2HB GLU 34 1HB GLU 34 13.231 7.079 2.442 1075 1HG GLU 34 2HG GLU 34 12.127 6.981 -0.380 1076 2HG GLU 34 1HG GLU 34 12.675 8.500 0.326 1077 H THR 35 H THR 35 9.966 5.344 3.169 1078 HA THR 35 HA THR 35 11.156 4.707 5.700 1079 HB THR 35 HB THR 35 8.415 4.144 4.533 1080 HG1 THR 35 HG1 THR 35 9.316 5.819 6.641 1081 1HG2 THR 35 1HG2 THR 35 8.186 2.537 6.114 1082 2HG2 THR 35 2HG2 THR 35 8.231 3.844 7.297 1083 3HG2 THR 35 3HG2 THR 35 9.709 2.979 6.883 1084 H VAL 36 H VAL 36 9.765 2.620 3.169 1085 HA VAL 36 HA VAL 36 10.367 0.112 4.382 1086 HB VAL 36 HB VAL 36 10.342 1.169 1.538 1087 1HG1 VAL 36 1HG1 VAL 36 10.993 -0.817 0.649 1088 2HG1 VAL 36 2HG1 VAL 36 10.174 -1.756 1.895 1089 3HG1 VAL 36 3HG1 VAL 36 11.767 -1.075 2.210 1090 1HG2 VAL 36 1HG2 VAL 36 8.299 0.801 3.180 1091 2HG2 VAL 36 2HG2 VAL 36 8.480 -0.877 2.670 1092 3HG2 VAL 36 3HG2 VAL 36 8.169 0.380 1.473 1093 H ALA 37 H ALA 37 12.332 2.335 2.438 1094 HA ALA 37 HA ALA 37 14.762 0.716 2.738 1095 1HB ALA 37 1HB ALA 37 15.732 2.648 1.516 1096 2HB ALA 37 2HB ALA 37 14.182 3.473 1.657 1097 3HB ALA 37 3HB ALA 37 14.303 1.984 0.729 1098 H LYS 38 H LYS 38 13.049 2.694 4.777 1099 HA LYS 38 HA LYS 38 15.475 3.814 6.118 1100 1HB LYS 38 2HB LYS 38 13.033 4.923 5.535 1101 2HB LYS 38 1HB LYS 38 12.757 4.344 7.177 1102 1HG LYS 38 2HG LYS 38 13.605 6.584 7.364 1103 2HG LYS 38 1HG LYS 38 14.919 5.503 7.829 1104 1HD LYS 38 2HD LYS 38 15.756 7.241 6.310 1105 2HD LYS 38 1HD LYS 38 15.842 5.660 5.531 1106 1HE LYS 38 2HE LYS 38 14.383 6.284 3.902 1107 2HE LYS 38 1HE LYS 38 13.267 7.005 5.079 1108 1HZ LYS 38 1HZ LYS 38 14.187 8.766 3.778 1109 2HZ LYS 38 2HZ LYS 38 15.771 8.202 4.018 1110 3HZ LYS 38 3HZ LYS 38 14.890 8.851 5.318 1111 H GLY 39 H GLY 39 13.122 1.351 6.186 1112 1HA GLY 39 2HA GLY 39 13.481 -0.617 7.482 1113 2HA GLY 39 1HA GLY 39 14.285 0.367 8.701 1114 H ASP 40 H ASP 40 11.109 0.906 7.138 1115 HA ASP 40 HA ASP 40 9.803 0.281 9.749 1116 1HB ASP 40 2HB ASP 40 10.379 2.916 8.678 1117 2HB ASP 40 1HB ASP 40 8.640 2.690 8.863 1118 H LYS 41 H LYS 41 7.560 -0.198 9.520 1119 HA LYS 41 HA LYS 41 6.765 -0.926 6.755 1120 1HB LYS 41 2HB LYS 41 5.621 -1.593 9.489 1121 2HB LYS 41 1HB LYS 41 5.112 -2.320 7.966 1122 1HG LYS 41 2HG LYS 41 7.276 -3.324 7.632 1123 2HG LYS 41 1HG LYS 41 7.962 -2.425 8.985 1124 1HD LYS 41 2HD LYS 41 6.321 -3.598 10.496 1125 2HD LYS 41 1HD LYS 41 5.858 -4.602 9.121 1126 1HE LYS 41 2HE LYS 41 8.457 -5.041 8.933 1127 2HE LYS 41 1HE LYS 41 8.449 -4.564 10.642 1128 1HZ LYS 41 1HZ LYS 41 6.743 -6.163 11.096 1129 2HZ LYS 41 2HZ LYS 41 8.016 -6.964 10.306 1130 3HZ LYS 41 3HZ LYS 41 6.602 -6.564 9.454 1131 H VAL 42 H VAL 42 6.072 1.140 5.976 1132 HA VAL 42 HA VAL 42 4.350 2.967 7.331 1133 HB VAL 42 HB VAL 42 4.618 2.294 4.380 1134 1HG1 VAL 42 1HG1 VAL 42 2.789 3.701 4.364 1135 2HG1 VAL 42 2HG1 VAL 42 4.071 4.911 4.402 1136 3HG1 VAL 42 3HG1 VAL 42 3.234 4.466 5.889 1137 1HG2 VAL 42 1HG2 VAL 42 6.754 2.979 4.812 1138 2HG2 VAL 42 2HG2 VAL 42 6.302 3.747 6.334 1139 3HG2 VAL 42 3HG2 VAL 42 6.034 4.589 4.808 1140 H GLN 43 H GLN 43 2.179 2.789 7.835 1141 HA GLN 43 HA GLN 43 0.613 0.647 6.434 1142 1HB GLN 43 2HB GLN 43 0.369 1.580 9.308 1143 2HB GLN 43 1HB GLN 43 -0.424 0.184 8.579 1144 1HG GLN 43 2HG GLN 43 2.263 -0.247 8.021 1145 2HG GLN 43 1HG GLN 43 2.288 0.431 9.649 1146 1HE2 GLN 43 1HE2 GLN 43 -0.111 -0.593 10.715 1147 2HE2 GLN 43 2HE2 GLN 43 -0.027 -2.288 10.768 1148 H LEU 44 H LEU 44 -0.665 1.889 5.039 1149 HA LEU 44 HA LEU 44 -1.722 4.497 5.622 1150 1HB LEU 44 2HB LEU 44 -2.832 2.315 3.823 1151 2HB LEU 44 1HB LEU 44 -3.137 4.038 3.672 1152 HG LEU 44 HG LEU 44 -0.523 2.584 3.215 1153 1HD1 LEU 44 1HD1 LEU 44 -0.754 3.946 1.036 1154 2HD1 LEU 44 2HD1 LEU 44 -2.424 4.223 1.528 1155 3HD1 LEU 44 3HD1 LEU 44 -1.850 2.587 1.236 1156 1HD2 LEU 44 1HD2 LEU 44 -0.009 5.191 2.599 1157 2HD2 LEU 44 2HD2 LEU 44 0.408 4.453 4.146 1158 3HD2 LEU 44 3HD2 LEU 44 -1.077 5.389 3.989 1159 H THR 45 H THR 45 -3.099 4.864 7.334 1160 HA THR 45 HA THR 45 -4.644 4.331 9.074 1161 HB THR 45 HB THR 45 -6.160 5.389 7.690 1162 HG1 THR 45 HG1 THR 45 -7.967 4.156 7.651 1163 1HG2 THR 45 1HG2 THR 45 -5.105 4.847 5.578 1164 2HG2 THR 45 2HG2 THR 45 -6.831 4.529 5.447 1165 3HG2 THR 45 3HG2 THR 45 -5.701 3.194 5.652 1166 H GLY 46 H GLY 46 -6.136 1.985 6.896 1167 1HA GLY 46 2HA GLY 46 -4.996 -0.245 8.462 1168 2HA GLY 46 1HA GLY 46 -6.745 -0.038 8.509 1169 H PHE 47 H PHE 47 -5.292 0.872 5.485 1170 HA PHE 47 HA PHE 47 -6.278 -1.720 4.395 1171 1HB PHE 47 2HB PHE 47 -6.857 -0.544 2.378 1172 2HB PHE 47 1HB PHE 47 -7.549 0.294 3.751 1173 HD1 PHE 47 HD1 PHE 47 -7.147 2.590 4.071 1174 HD2 PHE 47 HD2 PHE 47 -4.608 0.375 1.402 1175 HE1 PHE 47 HE1 PHE 47 -6.144 4.681 3.277 1176 HE2 PHE 47 HE2 PHE 47 -3.601 2.486 0.623 1177 HZ PHE 47 HZ PHE 47 -4.363 4.647 1.559 1178 H LEU 48 H LEU 48 -3.572 0.579 4.112 1179 HA LEU 48 HA LEU 48 -2.165 -1.542 2.543 1180 1HB LEU 48 2HB LEU 48 -2.437 1.344 2.353 1181 2HB LEU 48 1HB LEU 48 -0.760 0.825 2.276 1182 HG LEU 48 HG LEU 48 -2.547 0.871 0.158 1183 1HD1 LEU 48 1HD1 LEU 48 -0.589 -0.982 -0.565 1184 2HD1 LEU 48 2HD1 LEU 48 0.156 -0.051 0.733 1185 3HD1 LEU 48 3HD1 LEU 48 -0.465 0.772 -0.698 1186 1HD2 LEU 48 1HD2 LEU 48 -3.584 -1.232 1.229 1187 2HD2 LEU 48 2HD2 LEU 48 -2.092 -2.052 0.772 1188 3HD2 LEU 48 3HD2 LEU 48 -3.123 -1.344 -0.466 1189 H ASN 49 H ASN 49 -0.737 -2.665 3.727 1190 HA ASN 49 HA ASN 49 0.648 -1.271 5.991 1191 1HB ASN 49 2HB ASN 49 -0.587 -3.915 5.539 1192 2HB ASN 49 1HB ASN 49 0.975 -3.980 6.357 1193 1HD2 ASN 49 1HD2 ASN 49 -0.221 -4.632 8.359 1194 2HD2 ASN 49 2HD2 ASN 49 -1.019 -3.451 9.281 1195 H ILE 50 H ILE 50 2.149 -0.495 4.162 1196 HA ILE 50 HA ILE 50 3.821 -2.222 2.632 1197 HB ILE 50 HB ILE 50 3.955 0.566 3.757 1198 1HG1 ILE 50 2HG1 ILE 50 2.569 -0.207 1.710 1199 2HG1 ILE 50 1HG1 ILE 50 3.557 1.241 1.535 1200 1HG2 ILE 50 1HG2 ILE 50 6.271 -0.043 3.811 1201 2HG2 ILE 50 2HG2 ILE 50 6.034 0.895 2.337 1202 3HG2 ILE 50 3HG2 ILE 50 6.157 -0.862 2.253 1203 1HD1 ILE 50 1HD1 ILE 50 4.949 -1.285 0.887 1204 2HD1 ILE 50 2HD1 ILE 50 4.959 0.257 0.033 1205 3HD1 ILE 50 3HD1 ILE 50 3.625 -0.872 -0.201 1206 H LYS 51 H LYS 51 5.654 -3.469 3.221 1207 HA LYS 51 HA LYS 51 7.054 -2.778 5.748 1208 1HB LYS 51 2HB LYS 51 6.634 -4.999 6.721 1209 2HB LYS 51 1HB LYS 51 5.109 -4.179 6.393 1210 1HG LYS 51 2HG LYS 51 4.564 -6.138 5.359 1211 2HG LYS 51 1HG LYS 51 5.501 -5.468 4.024 1212 1HD LYS 51 2HD LYS 51 6.351 -7.681 4.409 1213 2HD LYS 51 1HD LYS 51 7.547 -6.561 5.056 1214 1HE LYS 51 2HE LYS 51 7.131 -8.413 6.643 1215 2HE LYS 51 1HE LYS 51 6.590 -6.871 7.331 1216 1HZ LYS 51 1HZ LYS 51 4.743 -8.482 5.692 1217 2HZ LYS 51 2HZ LYS 51 4.387 -7.341 6.901 1218 3HZ LYS 51 3HZ LYS 51 4.972 -8.878 7.325 1219 HA PRO 52 HA PRO 52 10.180 -4.477 3.032 1220 1HB PRO 52 2HB PRO 52 12.339 -3.629 4.448 1221 2HB PRO 52 1HB PRO 52 11.382 -2.543 3.426 1222 1HG PRO 52 2HG PRO 52 11.449 -2.801 6.357 1223 2HG PRO 52 1HG PRO 52 11.088 -1.394 5.353 1224 1HD PRO 52 2HD PRO 52 9.220 -3.019 6.683 1225 2HD PRO 52 1HD PRO 52 8.863 -1.800 5.442 1226 H VAL 53 H VAL 53 11.319 -6.401 3.087 1227 HA VAL 53 HA VAL 53 11.896 -7.624 5.725 1228 HB VAL 53 HB VAL 53 10.927 -9.735 4.933 1229 1HG1 VAL 53 1HG1 VAL 53 8.722 -7.849 4.329 1230 2HG1 VAL 53 2HG1 VAL 53 9.568 -7.552 5.847 1231 3HG1 VAL 53 3HG1 VAL 53 8.810 -9.115 5.552 1232 1HG2 VAL 53 1HG2 VAL 53 10.845 -8.193 2.428 1233 2HG2 VAL 53 2HG2 VAL 53 9.364 -9.086 2.760 1234 3HG2 VAL 53 3HG2 VAL 53 10.907 -9.936 2.662 1235 H ALA 54 H ALA 54 14.021 -7.965 5.737 1236 HA ALA 54 HA ALA 54 15.768 -7.998 3.514 1237 1HB ALA 54 1HB ALA 54 16.471 -9.658 5.871 1238 2HB ALA 54 2HB ALA 54 16.012 -7.989 6.208 1239 3HB ALA 54 3HB ALA 54 17.360 -8.332 5.124 1240 H ARG 55 H ARG 55 15.366 -9.396 1.829 1241 HA ARG 55 HA ARG 55 15.332 -12.323 2.478 1242 1HB ARG 55 2HB ARG 55 13.196 -10.881 1.594 1243 2HB ARG 55 1HB ARG 55 13.921 -11.344 0.054 1244 1HG ARG 55 2HG ARG 55 14.072 -13.717 1.300 1245 2HG ARG 55 1HG ARG 55 12.677 -13.055 2.154 1246 1HD ARG 55 2HD ARG 55 11.498 -12.683 0.053 1247 2HD ARG 55 1HD ARG 55 12.925 -13.190 -0.872 1248 HE ARG 55 HE ARG 55 11.960 -15.139 1.116 1249 1HH1 ARG 55 1HH2 ARG 55 10.281 -14.205 -1.486 1250 2HH1 ARG 55 2HH2 ARG 55 10.529 -15.623 -2.450 1251 1HH2 ARG 55 1HH1 ARG 55 13.021 -16.901 -0.406 1252 2HH2 ARG 55 2HH1 ARG 55 12.080 -17.149 -1.839 1253 H GLN 56 H GLN 56 17.690 -12.155 2.033 1254 HA GLN 56 HA GLN 56 18.798 -11.176 -0.401 1255 1HB GLN 56 2HB GLN 56 20.710 -12.625 0.253 1256 2HB GLN 56 1HB GLN 56 20.076 -11.723 1.627 1257 1HG GLN 56 2HG GLN 56 19.485 -13.612 2.716 1258 2HG GLN 56 1HG GLN 56 18.702 -14.277 1.281 1259 1HE2 GLN 56 1HE2 GLN 56 22.126 -13.481 2.149 1260 2HE2 GLN 56 2HE2 GLN 56 22.748 -14.980 1.650 1261 H ALA 57 H ALA 57 20.212 -13.561 -1.324 1262 HA ALA 57 HA ALA 57 18.087 -15.373 -2.297 1263 1HB ALA 57 1HB ALA 57 19.467 -13.233 -3.877 1264 2HB ALA 57 2HB ALA 57 17.771 -13.712 -3.897 1265 3HB ALA 57 3HB ALA 57 18.981 -14.721 -4.684 1266 H ARG 58 H ARG 58 19.096 -16.861 -3.995 1267 HA ARG 58 HA ARG 58 21.113 -18.482 -2.870 1268 1HB ARG 58 2HB ARG 58 19.784 -18.051 -5.515 1269 2HB ARG 58 1HB ARG 58 21.131 -19.181 -5.434 1270 1HG ARG 58 2HG ARG 58 19.031 -20.376 -5.072 1271 2HG ARG 58 1HG ARG 58 19.978 -20.380 -3.585 1272 1HD ARG 58 2HD ARG 58 18.637 -18.576 -2.655 1273 2HD ARG 58 1HD ARG 58 17.765 -18.387 -4.190 1274 HE ARG 58 HE ARG 58 17.684 -20.953 -2.643 1275 1HH1 ARG 58 1HH1 ARG 58 16.488 -19.667 -5.416 1276 2HH1 ARG 58 2HH1 ARG 58 14.811 -19.818 -5.015 1277 1HH2 ARG 58 1HH2 ARG 58 15.403 -20.610 -1.692 1278 2HH2 ARG 58 2HH2 ARG 58 14.196 -20.352 -2.907 1279 H LYS 59 H LYS 59 22.889 -19.037 -4.927 1280 HA LYS 59 HA LYS 59 24.350 -17.155 -6.303 1281 1HB LYS 59 2HB LYS 59 24.532 -16.748 -3.394 1282 2HB LYS 59 1HB LYS 59 26.107 -16.895 -4.165 1283 1HG LYS 59 2HG LYS 59 24.451 -15.238 -5.818 1284 2HG LYS 59 1HG LYS 59 24.367 -14.636 -4.163 1285 1HD LYS 59 2HD LYS 59 26.381 -13.679 -4.452 1286 2HD LYS 59 1HD LYS 59 27.084 -15.287 -4.623 1287 1HE LYS 59 2HE LYS 59 26.139 -15.069 -7.106 1288 2HE LYS 59 1HE LYS 59 26.290 -13.336 -6.753 1289 1HZ LYS 59 1HZ LYS 59 28.403 -15.405 -6.466 1290 2HZ LYS 59 2HZ LYS 59 28.554 -13.806 -5.911 1291 3HZ LYS 59 3HZ LYS 59 28.386 -14.119 -7.572 1292 H GLY 60 H GLY 60 24.046 -19.850 -6.578 1293 1HA GLY 60 2HA GLY 60 26.777 -20.907 -5.963 1294 2HA GLY 60 1HA GLY 60 25.344 -21.920 -5.798 1295 H PHE 61 H PHE 61 24.542 -22.940 -7.623 1296 HA PHE 61 HA PHE 61 25.648 -22.142 -10.292 1297 1HB PHE 61 2HB PHE 61 27.112 -23.876 -9.978 1298 2HB PHE 61 1HB PHE 61 26.186 -24.523 -8.626 1299 HD1 PHE 61 HD1 PHE 61 24.044 -25.846 -9.150 1300 HD2 PHE 61 HD2 PHE 61 26.979 -24.853 -12.111 1301 HE1 PHE 61 HE1 PHE 61 23.138 -27.597 -10.644 1302 HE2 PHE 61 HE2 PHE 61 26.062 -26.600 -13.597 1303 HZ PHE 61 HZ PHE 61 24.162 -27.983 -12.867 1304 H ASN 62 H ASN 62 24.600 -23.665 -11.982 1305 HA ASN 62 HA ASN 62 21.928 -22.991 -12.237 1306 1HB ASN 62 2HB ASN 62 23.730 -25.079 -13.438 1307 2HB ASN 62 1HB ASN 62 22.075 -24.871 -14.017 1308 1HD2 ASN 62 1HD2 ASN 62 25.255 -23.360 -13.864 1309 2HD2 ASN 62 2HD2 ASN 62 24.893 -22.078 -14.916 1310 HA PRO 63 HA PRO 63 19.685 -26.681 -10.643 1311 1HB PRO 63 2HB PRO 63 20.593 -29.240 -11.126 1312 2HB PRO 63 1HB PRO 63 19.554 -28.339 -12.246 1313 1HG PRO 63 2HG PRO 63 22.523 -28.659 -12.278 1314 2HG PRO 63 1HG PRO 63 21.364 -28.802 -13.613 1315 1HD PRO 63 2HD PRO 63 22.784 -26.584 -13.307 1316 2HD PRO 63 1HD PRO 63 21.081 -26.497 -13.794 1317 H GLN 64 H GLN 64 21.363 -29.314 -9.672 1318 HA GLN 64 HA GLN 64 22.613 -29.844 -7.731 1319 1HB GLN 64 2HB GLN 64 24.172 -28.247 -9.061 1320 2HB GLN 64 1HB GLN 64 23.651 -26.999 -7.932 1321 1HG GLN 64 2HG GLN 64 24.258 -28.955 -6.171 1322 2HG GLN 64 1HG GLN 64 25.385 -29.368 -7.464 1323 1HE2 GLN 64 1HE2 GLN 64 27.104 -27.853 -7.951 1324 2HE2 GLN 64 2HE2 GLN 64 27.445 -26.527 -6.948 1325 H THR 65 H THR 65 21.952 -26.405 -7.473 1326 HA THR 65 HA THR 65 20.057 -26.816 -5.212 1327 HB THR 65 HB THR 65 21.318 -24.803 -4.157 1328 HG1 THR 65 HG1 THR 65 22.533 -24.395 -6.080 1329 1HG2 THR 65 1HG2 THR 65 21.654 -26.712 -2.919 1330 2HG2 THR 65 2HG2 THR 65 23.293 -26.503 -3.535 1331 3HG2 THR 65 3HG2 THR 65 22.198 -27.646 -4.313 1332 H GLN 66 H GLN 66 20.248 -26.013 -8.158 1333 HA GLN 66 HA GLN 66 19.502 -24.428 -9.669 1334 1HB GLN 66 2HB GLN 66 17.450 -24.373 -7.412 1335 2HB GLN 66 1HB GLN 66 17.154 -23.717 -9.023 1336 1HG GLN 66 2HG GLN 66 16.316 -25.859 -9.303 1337 2HG GLN 66 1HG GLN 66 17.993 -26.120 -9.784 1338 1HE2 GLN 66 1HE2 GLN 66 18.994 -27.836 -8.731 1339 2HE2 GLN 66 2HE2 GLN 66 18.542 -28.448 -7.213 1340 H GLU 67 H GLU 67 20.898 -22.771 -9.730 1341 HA GLU 67 HA GLU 67 20.283 -20.113 -9.065 1342 1HB GLU 67 2HB GLU 67 22.010 -19.871 -7.139 1343 2HB GLU 67 1HB GLU 67 20.477 -20.628 -6.712 1344 1HG GLU 67 2HG GLU 67 21.431 -22.810 -6.723 1345 2HG GLU 67 1HG GLU 67 22.871 -22.256 -7.568 1346 H ALA 68 H ALA 68 21.140 -20.718 -11.278 1347 HA ALA 68 HA ALA 68 23.557 -21.717 -12.005 1348 1HB ALA 68 1HB ALA 68 22.296 -19.298 -13.216 1349 2HB ALA 68 2HB ALA 68 21.713 -20.951 -13.419 1350 3HB ALA 68 3HB ALA 68 23.307 -20.496 -14.024 1351 H LEU 69 H LEU 69 23.871 -19.434 -9.749 1352 HA LEU 69 HA LEU 69 26.205 -18.913 -9.231 1353 1HB LEU 69 2HB LEU 69 26.277 -18.145 -12.159 1354 2HB LEU 69 1HB LEU 69 27.615 -17.926 -11.027 1355 HG LEU 69 HG LEU 69 26.354 -20.607 -10.980 1356 1HD1 LEU 69 1HD1 LEU 69 27.106 -19.512 -13.511 1357 2HD1 LEU 69 2HD1 LEU 69 26.611 -21.165 -13.141 1358 3HD1 LEU 69 3HD1 LEU 69 28.315 -20.719 -13.067 1359 1HD2 LEU 69 1HD2 LEU 69 29.271 -20.164 -11.336 1360 2HD2 LEU 69 2HD2 LEU 69 28.415 -21.285 -10.277 1361 3HD2 LEU 69 3HD2 LEU 69 28.535 -19.580 -9.843 1362 H GLU 70 H GLU 70 23.481 -17.466 -9.334 1363 HA GLU 70 HA GLU 70 24.152 -15.154 -7.892 1364 1HB GLU 70 2HB GLU 70 25.400 -14.341 -9.791 1365 2HB GLU 70 1HB GLU 70 24.098 -14.753 -10.905 1366 1HG GLU 70 2HG GLU 70 22.701 -13.002 -10.053 1367 2HG GLU 70 1HG GLU 70 23.770 -12.731 -8.677 1368 H ILE 71 H ILE 71 22.290 -13.645 -7.695 1369 HA ILE 71 HA ILE 71 19.758 -14.263 -9.017 1370 HB ILE 71 HB ILE 71 18.940 -14.699 -6.508 1371 1HG1 ILE 71 2HG1 ILE 71 20.549 -16.088 -5.312 1372 2HG1 ILE 71 1HG1 ILE 71 21.755 -15.799 -6.553 1373 1HG2 ILE 71 1HG2 ILE 71 20.243 -17.034 -7.817 1374 2HG2 ILE 71 2HG2 ILE 71 19.004 -16.164 -8.723 1375 3HG2 ILE 71 3HG2 ILE 71 18.612 -16.885 -7.162 1376 1HD1 ILE 71 1HD1 ILE 71 20.555 -13.343 -5.461 1377 2HD1 ILE 71 2HD1 ILE 71 22.251 -13.734 -5.742 1378 3HD1 ILE 71 3HD1 ILE 71 21.448 -14.285 -4.272 1379 H ALA 72 H ALA 72 18.182 -13.145 -6.869 1380 HA ALA 72 HA ALA 72 19.179 -10.330 -7.004 1381 1HB ALA 72 1HB ALA 72 17.112 -11.185 -8.257 1382 2HB ALA 72 2HB ALA 72 16.907 -9.726 -7.288 1383 3HB ALA 72 3HB ALA 72 16.341 -11.281 -6.675 1384 HA PRO 73 HA PRO 73 18.938 -11.175 -2.481 1385 1HB PRO 73 2HB PRO 73 21.317 -9.994 -1.850 1386 2HB PRO 73 1HB PRO 73 21.196 -11.687 -2.367 1387 1HG PRO 73 2HG PRO 73 22.100 -9.309 -3.880 1388 2HG PRO 73 1HG PRO 73 22.626 -10.993 -3.997 1389 1HD PRO 73 2HD PRO 73 20.891 -9.720 -5.753 1390 2HD PRO 73 1HD PRO 73 21.079 -11.477 -5.579 1391 H SER 74 H SER 74 17.609 -9.644 -1.515 1392 HA SER 74 HA SER 74 18.411 -6.915 -1.057 1393 1HB SER 74 2HB SER 74 16.567 -5.975 -2.603 1394 2HB SER 74 1HB SER 74 18.035 -6.559 -3.382 1395 HG SER 74 HG SER 74 15.643 -8.049 -2.995 1396 H VAL 75 H VAL 75 16.716 -5.741 0.169 1397 HA VAL 75 HA VAL 75 15.167 -7.407 1.891 1398 HB VAL 75 HB VAL 75 15.771 -4.613 1.494 1399 1HG1 VAL 75 1HG1 VAL 75 13.404 -4.434 0.740 1400 2HG1 VAL 75 2HG1 VAL 75 13.684 -3.595 2.264 1401 3HG1 VAL 75 3HG1 VAL 75 12.889 -5.167 2.259 1402 1HG2 VAL 75 1HG2 VAL 75 14.764 -6.334 3.750 1403 2HG2 VAL 75 2HG2 VAL 75 15.011 -4.603 3.962 1404 3HG2 VAL 75 3HG2 VAL 75 16.370 -5.641 3.532 1405 H GLY 76 H GLY 76 12.674 -7.174 2.050 1406 1HA GLY 76 2HA GLY 76 11.556 -7.277 -0.734 1407 2HA GLY 76 1HA GLY 76 11.025 -8.367 0.546 1408 H VAL 77 H VAL 77 10.969 -5.040 -0.578 1409 HA VAL 77 HA VAL 77 9.423 -3.879 1.532 1410 HB VAL 77 HB VAL 77 10.564 -2.545 -0.152 1411 1HG1 VAL 77 1HG1 VAL 77 9.136 -2.766 -2.517 1412 2HG1 VAL 77 2HG1 VAL 77 9.245 -4.437 -1.969 1413 3HG1 VAL 77 3HG1 VAL 77 10.713 -3.489 -2.207 1414 1HG2 VAL 77 1HG2 VAL 77 8.163 -1.632 -1.269 1415 2HG2 VAL 77 2HG2 VAL 77 8.905 -1.054 0.219 1416 3HG2 VAL 77 3HG2 VAL 77 7.689 -2.324 0.280 1417 H SER 78 H SER 78 7.986 -5.806 1.906 1418 HA SER 78 HA SER 78 5.939 -6.422 -0.075 1419 1HB SER 78 2HB SER 78 7.022 -7.585 2.190 1420 2HB SER 78 1HB SER 78 5.427 -7.084 2.744 1421 HG SER 78 HG SER 78 5.942 -8.540 0.359 1422 H VAL 79 H VAL 79 3.606 -6.331 0.833 1423 HA VAL 79 HA VAL 79 2.664 -4.293 2.580 1424 HB VAL 79 HB VAL 79 3.745 -2.812 0.923 1425 1HG1 VAL 79 1HG1 VAL 79 2.455 -4.698 -0.946 1426 2HG1 VAL 79 2HG1 VAL 79 3.925 -3.744 -1.141 1427 3HG1 VAL 79 3HG1 VAL 79 2.350 -3.002 -1.421 1428 1HG2 VAL 79 1HG2 VAL 79 1.869 -1.404 0.388 1429 2HG2 VAL 79 2HG2 VAL 79 1.486 -2.199 1.915 1430 3HG2 VAL 79 3HG2 VAL 79 0.760 -2.773 0.413 1431 H LYS 80 H LYS 80 0.185 -3.873 1.950 1432 HA LYS 80 HA LYS 80 -1.113 -5.496 0.008 1433 1HB LYS 80 2HB LYS 80 -1.995 -7.235 1.690 1434 2HB LYS 80 1HB LYS 80 -0.313 -7.410 1.204 1435 1HG LYS 80 2HG LYS 80 -0.587 -5.624 3.492 1436 2HG LYS 80 1HG LYS 80 -1.273 -7.214 3.824 1437 1HD LYS 80 2HD LYS 80 1.037 -7.923 2.565 1438 2HD LYS 80 1HD LYS 80 1.545 -6.434 3.363 1439 1HE LYS 80 2HE LYS 80 1.458 -7.387 5.432 1440 2HE LYS 80 1HE LYS 80 -0.070 -8.217 5.078 1441 1HZ LYS 80 1HZ LYS 80 2.572 -8.998 3.963 1442 2HZ LYS 80 2HZ LYS 80 1.098 -9.819 3.748 1443 3HZ LYS 80 3HZ LYS 80 1.827 -9.764 5.281 1444 HA PRO 81 HA PRO 81 -4.693 -3.408 1.549 1445 1HB PRO 81 2HB PRO 81 -6.656 -5.252 1.109 1446 2HB PRO 81 1HB PRO 81 -5.870 -4.356 -0.208 1447 1HG PRO 81 2HG PRO 81 -5.364 -7.129 0.760 1448 2HG PRO 81 1HG PRO 81 -5.424 -6.509 -0.897 1449 1HD PRO 81 2HD PRO 81 -3.094 -6.987 0.399 1450 2HD PRO 81 1HD PRO 81 -3.270 -5.715 -0.824 1451 H GLY 82 H GLY 82 -5.763 -3.200 3.512 1452 1HA GLY 82 2HA GLY 82 -5.608 -5.496 5.427 1453 2HA GLY 82 1HA GLY 82 -5.608 -3.793 5.920 1454 H GLU 83 H GLU 83 -7.536 -2.529 5.300 1455 HA GLU 83 HA GLU 83 -10.041 -4.114 5.650 1456 1HB GLU 83 2HB GLU 83 -10.991 -1.966 6.155 1457 2HB GLU 83 1HB GLU 83 -9.434 -2.024 6.977 1458 1HG GLU 83 2HG GLU 83 -8.758 -1.000 4.512 1459 2HG GLU 83 1HG GLU 83 -10.341 -0.276 4.796 1460 H SER 84 H SER 84 -8.597 -4.407 3.252 1461 HA SER 84 HA SER 84 -8.690 -3.714 0.916 1462 1HB SER 84 2HB SER 84 -9.466 -5.911 1.014 1463 2HB SER 84 1HB SER 84 -10.804 -5.474 2.063 1464 HG SER 84 HG SER 84 -11.440 -5.967 -0.110 1465 H LEU 85 H LEU 85 -9.499 -1.436 2.304 1466 HA LEU 85 HA LEU 85 -11.480 0.033 2.421 1467 1HB LEU 85 2HB LEU 85 -11.669 0.347 -0.434 1468 2HB LEU 85 1HB LEU 85 -10.947 1.459 0.707 1469 HG LEU 85 HG LEU 85 -9.342 0.931 -1.018 1470 1HD1 LEU 85 1HD1 LEU 85 -8.878 0.265 1.757 1471 2HD1 LEU 85 2HD1 LEU 85 -7.819 1.079 0.610 1472 3HD1 LEU 85 3HD1 LEU 85 -7.832 -0.681 0.701 1473 1HD2 LEU 85 1HD2 LEU 85 -9.107 -1.080 -1.963 1474 2HD2 LEU 85 2HD2 LEU 85 -10.560 -1.544 -1.081 1475 3HD2 LEU 85 3HD2 LEU 85 -8.968 -1.888 -0.407 1476 H LYS 86 H LYS 86 -11.736 -2.864 2.121 1477 HA LYS 86 HA LYS 86 -13.636 -3.958 0.396 1478 1HB LYS 86 2HB LYS 86 -12.565 -5.354 1.989 1479 2HB LYS 86 1HB LYS 86 -12.709 -4.151 3.259 1480 1HG LYS 86 2HG LYS 86 -15.327 -4.760 2.897 1481 2HG LYS 86 1HG LYS 86 -14.588 -6.305 2.472 1482 1HD LYS 86 2HD LYS 86 -13.318 -6.305 4.577 1483 2HD LYS 86 1HD LYS 86 -14.003 -4.736 5.004 1484 1HE LYS 86 2HE LYS 86 -15.983 -6.852 4.317 1485 2HE LYS 86 1HE LYS 86 -15.101 -7.071 5.841 1486 1HZ LYS 86 1HZ LYS 86 -16.348 -4.506 5.021 1487 2HZ LYS 86 2HZ LYS 86 -15.686 -4.893 6.538 1488 3HZ LYS 86 3HZ LYS 86 -17.124 -5.636 6.019 1489 H LYS 87 H LYS 87 -13.747 -2.058 3.210 1490 HA LYS 87 HA LYS 87 -16.504 -1.883 3.591 1491 1HB LYS 87 2HB LYS 87 -14.502 -1.334 5.086 1492 2HB LYS 87 1HB LYS 87 -14.289 0.123 4.116 1493 1HG LYS 87 2HG LYS 87 -17.042 0.022 4.884 1494 2HG LYS 87 1HG LYS 87 -16.084 -0.292 6.331 1495 1HD LYS 87 2HD LYS 87 -15.195 1.811 6.360 1496 2HD LYS 87 1HD LYS 87 -15.090 1.899 4.602 1497 1HE LYS 87 2HE LYS 87 -17.609 2.169 4.545 1498 2HE LYS 87 1HE LYS 87 -17.558 2.334 6.312 1499 1HZ LYS 87 1HZ LYS 87 -15.929 4.108 6.058 1500 2HZ LYS 87 2HZ LYS 87 -17.371 4.498 5.250 1501 3HZ LYS 87 3HZ LYS 87 -16.016 3.973 4.370 1502 H ALA 88 H ALA 88 -14.085 -0.098 1.758 1503 HA ALA 88 HA ALA 88 -16.050 1.793 0.672 1504 1HB ALA 88 1HB ALA 88 -13.354 1.226 -0.513 1505 2HB ALA 88 2HB ALA 88 -13.428 1.909 1.108 1506 3HB ALA 88 3HB ALA 88 -14.146 2.778 -0.248 1507 H ALA 89 H ALA 89 -14.493 -1.235 -0.204 1508 HA ALA 89 HA ALA 89 -15.284 -1.264 -2.962 1509 1HB ALA 89 1HB ALA 89 -14.436 -3.469 -2.928 1510 2HB ALA 89 2HB ALA 89 -14.869 -3.715 -1.239 1511 3HB ALA 89 3HB ALA 89 -13.518 -2.661 -1.662 1512 H GLU 90 H GLU 90 -16.885 -2.102 0.039 1513 HA GLU 90 HA GLU 90 -19.168 -3.443 -1.132 1514 1HB GLU 90 2HB GLU 90 -18.309 -2.241 1.431 1515 2HB GLU 90 1HB GLU 90 -20.043 -2.097 1.138 1516 1HG GLU 90 2HG GLU 90 -19.841 -4.636 0.461 1517 2HG GLU 90 1HG GLU 90 -18.374 -4.574 1.439 1518 H GLY 91 H GLY 91 -18.108 -0.138 -0.546 1519 1HA GLY 91 2HA GLY 91 -20.535 1.225 -1.254 1520 2HA GLY 91 1HA GLY 91 -18.920 1.927 -1.308 1521 H LEU 92 H LEU 92 -17.678 0.297 -3.306 1522 HA LEU 92 HA LEU 92 -18.670 1.490 -5.713 1523 1HB LEU 92 2HB LEU 92 -16.764 0.518 -6.614 1524 2HB LEU 92 1HB LEU 92 -16.357 0.424 -4.904 1525 HG LEU 92 HG LEU 92 -17.662 -1.902 -5.103 1526 1HD1 LEU 92 1HD1 LEU 92 -18.151 -2.453 -7.235 1527 2HD1 LEU 92 2HD1 LEU 92 -16.420 -2.517 -7.564 1528 3HD1 LEU 92 3HD1 LEU 92 -17.316 -1.024 -7.842 1529 1HD2 LEU 92 1HD2 LEU 92 -15.123 -2.540 -6.150 1530 2HD2 LEU 92 2HD2 LEU 92 -15.577 -2.464 -4.449 1531 3HD2 LEU 92 3HD2 LEU 92 -14.894 -1.046 -5.244 1532 H LYS 93 H LYS 93 -20.140 -0.941 -3.989 1533 HA LYS 93 HA LYS 93 -21.906 -2.402 -4.590 1534 1HB LYS 93 2HB LYS 93 -21.845 -0.501 -6.604 1535 2HB LYS 93 1HB LYS 93 -21.599 -1.999 -7.501 1536 1HG LYS 93 2HG LYS 93 -23.978 -1.624 -7.369 1537 2HG LYS 93 1HG LYS 93 -23.593 -2.955 -6.277 1538 1HD LYS 93 2HD LYS 93 -23.720 -1.538 -4.354 1539 2HD LYS 93 1HD LYS 93 -23.751 -0.081 -5.346 1540 1HE LYS 93 2HE LYS 93 -25.924 -1.247 -6.372 1541 2HE LYS 93 1HE LYS 93 -25.953 -2.026 -4.777 1542 1HZ LYS 93 1HZ LYS 93 -27.089 0.043 -4.577 1543 2HZ LYS 93 2HZ LYS 93 -25.833 0.885 -5.354 1544 3HZ LYS 93 3HZ LYS 93 -25.587 0.222 -3.809 1545 H TYR 94 H TYR 94 -19.527 -3.412 -4.029 1546 HA TYR 94 HA TYR 94 -17.848 -4.773 -5.688 1547 1HB TYR 94 2HB TYR 94 -17.577 -4.978 -3.364 1548 2HB TYR 94 1HB TYR 94 -19.241 -5.508 -3.124 1549 HD1 TYR 94 HD1 TYR 94 -19.349 -7.689 -2.393 1550 HD2 TYR 94 HD2 TYR 94 -16.422 -6.613 -5.341 1551 HE1 TYR 94 HE1 TYR 94 -18.652 -10.072 -2.560 1552 HE2 TYR 94 HE2 TYR 94 -15.724 -8.994 -5.512 1553 HH TYR 94 HH TYR 94 -16.160 -11.193 -3.406 1554 H GLU 95 H GLU 95 -21.138 -5.892 -4.847 1555 HA GLU 95 HA GLU 95 -21.102 -8.367 -6.234 1556 1HB GLU 95 2HB GLU 95 -23.568 -8.086 -6.219 1557 2HB GLU 95 1HB GLU 95 -22.857 -7.632 -4.671 1558 1HG GLU 95 2HG GLU 95 -22.795 -5.227 -5.624 1559 2HG GLU 95 1HG GLU 95 -23.912 -5.829 -6.848 1560 H ASP 96 H ASP 96 -21.871 -5.095 -7.393 1561 HA ASP 96 HA ASP 96 -22.644 -5.785 -10.059 1562 1HB ASP 96 2HB ASP 96 -22.570 -3.536 -8.578 1563 2HB ASP 96 1HB ASP 96 -21.084 -3.297 -9.498 1564 H PHE 97 H PHE 97 -19.528 -5.367 -8.480 1565 HA PHE 97 HA PHE 97 -17.982 -5.546 -10.976 1566 1HB PHE 97 2HB PHE 97 -17.629 -4.782 -8.234 1567 2HB PHE 97 1HB PHE 97 -16.452 -6.043 -8.599 1568 HD1 PHE 97 HD1 PHE 97 -17.944 -3.260 -10.634 1569 HD2 PHE 97 HD2 PHE 97 -14.382 -5.093 -9.085 1570 HE1 PHE 97 HE1 PHE 97 -16.559 -1.614 -11.869 1571 HE2 PHE 97 HE2 PHE 97 -12.998 -3.449 -10.319 1572 HZ PHE 97 HZ PHE 97 -14.086 -1.708 -11.712 1573 H ALA 98 H ALA 98 -19.234 -7.689 -8.510 1574 HA ALA 98 HA ALA 98 -17.481 -9.934 -8.936 1575 1HB ALA 98 1HB ALA 98 -20.344 -10.303 -8.176 1576 2HB ALA 98 2HB ALA 98 -19.378 -9.246 -7.147 1577 3HB ALA 98 3HB ALA 98 -18.891 -10.923 -7.393 1578 H LYS 99 H LYS 99 -20.412 -8.792 -10.530 1579 HA LYS 99 HA LYS 99 -20.495 -11.218 -12.259 1580 1HB LYS 99 2HB LYS 99 -22.328 -9.042 -11.386 1581 2HB LYS 99 1HB LYS 99 -22.592 -9.676 -13.011 1582 1HG LYS 99 2HG LYS 99 -23.829 -11.250 -11.912 1583 2HG LYS 99 1HG LYS 99 -22.255 -11.997 -11.637 1584 1HD LYS 99 2HD LYS 99 -22.900 -11.891 -9.446 1585 2HD LYS 99 1HD LYS 99 -22.300 -10.237 -9.576 1586 1HE LYS 99 2HE LYS 99 -25.099 -10.615 -10.477 1587 2HE LYS 99 1HE LYS 99 -24.824 -10.839 -8.739 1588 1HZ LYS 99 1HZ LYS 99 -23.511 -8.755 -8.781 1589 2HZ LYS 99 2HZ LYS 99 -25.154 -8.517 -9.145 1590 3HZ LYS 99 3HZ LYS 99 -23.996 -8.511 -10.388 Start of MODEL 19 1 1H MET 1 1H MET 1 5.522 3.315 11.762 2 2H MET 1 2H MET 1 5.014 4.175 13.137 3 3H MET 1 3H MET 1 6.538 4.484 12.453 4 HA MET 1 HA MET 1 4.882 6.220 11.887 5 1HB MET 1 2HB MET 1 6.774 4.811 10.358 6 2HB MET 1 1HB MET 1 5.386 5.023 9.296 7 1HG MET 1 2HG MET 1 5.429 7.390 9.533 8 2HG MET 1 1HG MET 1 6.537 7.304 10.901 9 1HE MET 1 1HE MET 1 5.769 7.212 7.393 10 2HE MET 1 2HE MET 1 7.277 7.369 6.496 11 3HE MET 1 3HE MET 1 6.712 8.704 7.498 12 H ASN 2 H ASN 2 2.973 6.703 10.561 13 HA ASN 2 HA ASN 2 1.492 4.648 9.244 14 1HB ASN 2 2HB ASN 2 -0.284 4.327 10.901 15 2HB ASN 2 1HB ASN 2 1.272 3.954 11.637 16 1HD2 ASN 2 1HD2 ASN 2 -1.549 5.516 12.332 17 2HD2 ASN 2 2HD2 ASN 2 -0.971 6.711 13.389 18 H LYS 3 H LYS 3 -1.110 5.569 9.619 19 HA LYS 3 HA LYS 3 -1.446 7.646 7.801 20 1HB LYS 3 2HB LYS 3 -2.989 6.151 9.635 21 2HB LYS 3 1HB LYS 3 -3.360 7.838 9.985 22 1HG LYS 3 2HG LYS 3 -3.617 8.077 7.399 23 2HG LYS 3 1HG LYS 3 -3.754 6.319 7.412 24 1HD LYS 3 2HD LYS 3 -5.621 6.445 8.993 25 2HD LYS 3 1HD LYS 3 -5.468 8.193 9.074 26 1HE LYS 3 2HE LYS 3 -5.810 8.093 6.462 27 2HE LYS 3 1HE LYS 3 -6.508 6.497 6.806 28 1HZ LYS 3 1HZ LYS 3 -7.249 8.916 8.347 29 2HZ LYS 3 2HZ LYS 3 -8.048 7.419 8.295 30 3HZ LYS 3 3HZ LYS 3 -8.084 8.449 6.946 31 H THR 4 H THR 4 -0.336 7.882 11.103 32 HA THR 4 HA THR 4 -0.779 10.816 11.215 33 HB THR 4 HB THR 4 0.427 8.839 13.174 34 HG1 THR 4 HG1 THR 4 -1.758 8.431 12.696 35 1HG2 THR 4 1HG2 THR 4 0.193 10.558 14.824 36 2HG2 THR 4 2HG2 THR 4 -0.706 11.590 13.713 37 3HG2 THR 4 3HG2 THR 4 1.012 11.297 13.448 38 H GLU 5 H GLU 5 2.033 8.742 12.006 39 HA GLU 5 HA GLU 5 4.015 10.701 11.825 40 1HB GLU 5 2HB GLU 5 4.170 7.810 10.940 41 2HB GLU 5 1HB GLU 5 5.539 8.816 11.399 42 1HG GLU 5 2HG GLU 5 3.894 9.128 13.568 43 2HG GLU 5 1HG GLU 5 3.550 7.461 13.106 44 H LEU 6 H LEU 6 2.586 8.762 9.202 45 HA LEU 6 HA LEU 6 4.200 9.654 7.051 46 1HB LEU 6 2HB LEU 6 1.302 8.884 7.384 47 2HB LEU 6 1HB LEU 6 1.910 9.376 5.804 48 HG LEU 6 HG LEU 6 3.311 7.258 7.437 49 1HD1 LEU 6 1HD1 LEU 6 0.800 7.091 5.835 50 2HD1 LEU 6 2HD1 LEU 6 1.330 6.105 7.197 51 3HD1 LEU 6 3HD1 LEU 6 1.984 5.807 5.588 52 1HD2 LEU 6 1HD2 LEU 6 4.585 6.971 5.562 53 2HD2 LEU 6 2HD2 LEU 6 4.048 8.605 5.174 54 3HD2 LEU 6 3HD2 LEU 6 3.218 7.215 4.476 55 H ILE 7 H ILE 7 1.355 11.283 8.551 56 HA ILE 7 HA ILE 7 1.279 13.479 6.720 57 HB ILE 7 HB ILE 7 -0.138 14.514 8.289 58 1HG1 ILE 7 2HG1 ILE 7 -0.024 13.477 10.777 59 2HG1 ILE 7 1HG1 ILE 7 1.663 13.305 10.318 60 1HG2 ILE 7 1HG2 ILE 7 -0.789 12.022 9.568 61 2HG2 ILE 7 2HG2 ILE 7 -0.388 11.748 7.871 62 3HG2 ILE 7 3HG2 ILE 7 -1.648 12.892 8.303 63 1HD1 ILE 7 1HD1 ILE 7 0.028 15.847 10.321 64 2HD1 ILE 7 2HD1 ILE 7 1.641 15.726 9.616 65 3HD1 ILE 7 3HD1 ILE 7 1.414 15.470 11.345 66 H LYS 8 H LYS 8 3.136 12.865 9.663 67 HA LYS 8 HA LYS 8 4.518 15.382 9.764 68 1HB LYS 8 2HB LYS 8 5.621 12.656 10.507 69 2HB LYS 8 1HB LYS 8 6.035 14.206 11.229 70 1HG LYS 8 2HG LYS 8 3.533 14.330 11.899 71 2HG LYS 8 1HG LYS 8 3.508 12.599 11.559 72 1HD LYS 8 2HD LYS 8 5.356 14.004 13.512 73 2HD LYS 8 1HD LYS 8 3.990 12.975 13.936 74 1HE LYS 8 2HE LYS 8 5.097 11.014 13.302 75 2HE LYS 8 1HE LYS 8 6.159 11.860 12.160 76 1HZ LYS 8 1HZ LYS 8 7.330 12.876 13.933 77 2HZ LYS 8 2HZ LYS 8 7.230 11.225 14.321 78 3HZ LYS 8 3HZ LYS 8 6.207 12.345 15.088 79 H ALA 9 H ALA 9 5.036 12.316 8.048 80 HA ALA 9 HA ALA 9 7.599 12.764 6.942 81 1HB ALA 9 1HB ALA 9 5.370 11.635 5.292 82 2HB ALA 9 2HB ALA 9 5.763 10.834 6.813 83 3HB ALA 9 3HB ALA 9 6.992 10.999 5.560 84 H ILE 10 H ILE 10 4.400 13.994 5.962 85 HA ILE 10 HA ILE 10 5.602 15.458 3.702 86 HB ILE 10 HB ILE 10 2.895 14.722 4.782 87 1HG1 ILE 10 2HG1 ILE 10 2.460 14.225 2.401 88 2HG1 ILE 10 1HG1 ILE 10 4.044 14.873 1.982 89 1HG2 ILE 10 1HG2 ILE 10 2.445 17.025 4.629 90 2HG2 ILE 10 2HG2 ILE 10 1.920 16.401 3.066 91 3HG2 ILE 10 3HG2 ILE 10 3.473 17.225 3.210 92 1HD1 ILE 10 1HD1 ILE 10 3.518 12.499 3.794 93 2HD1 ILE 10 2HD1 ILE 10 5.111 13.166 3.436 94 3HD1 ILE 10 3HD1 ILE 10 4.156 12.426 2.151 95 H ALA 11 H ALA 11 4.319 15.866 6.935 96 HA ALA 11 HA ALA 11 4.216 18.743 6.865 97 1HB ALA 11 1HB ALA 11 3.579 18.430 9.087 98 2HB ALA 11 2HB ALA 11 4.811 17.200 9.368 99 3HB ALA 11 3HB ALA 11 3.333 16.788 8.500 100 H GLN 12 H GLN 12 6.826 16.578 6.708 101 HA GLN 12 HA GLN 12 8.689 18.707 7.647 102 1HB GLN 12 2HB GLN 12 9.247 17.136 9.204 103 2HB GLN 12 1HB GLN 12 8.391 15.868 8.337 104 1HG GLN 12 2HG GLN 12 10.260 15.378 6.968 105 2HG GLN 12 1HG GLN 12 11.058 16.898 7.372 106 1HE2 GLN 12 1HE2 GLN 12 12.966 15.661 8.134 107 2HE2 GLN 12 2HE2 GLN 12 12.928 14.870 9.636 108 H ASP 13 H ASP 13 8.155 16.044 5.301 109 HA ASP 13 HA ASP 13 10.563 16.694 3.748 110 1HB ASP 13 2HB ASP 13 7.990 15.176 3.172 111 2HB ASP 13 1HB ASP 13 9.348 15.249 2.050 112 H THR 14 H THR 14 7.415 17.838 4.186 113 HA THR 14 HA THR 14 7.464 19.603 1.787 114 HB THR 14 HB THR 14 4.977 19.326 3.294 115 HG1 THR 14 HG1 THR 14 6.184 16.969 2.273 116 1HG2 THR 14 1HG2 THR 14 5.827 19.545 0.643 117 2HG2 THR 14 2HG2 THR 14 4.167 19.357 1.218 118 3HG2 THR 14 3HG2 THR 14 5.112 17.941 0.765 119 H GLY 15 H GLY 15 5.903 19.697 4.988 120 1HA GLY 15 2HA GLY 15 5.863 21.344 6.655 121 2HA GLY 15 1HA GLY 15 7.547 21.626 6.228 122 H LEU 16 H LEU 16 5.264 22.052 3.717 123 HA LEU 16 HA LEU 16 5.933 24.771 3.184 124 1HB LEU 16 2HB LEU 16 3.469 23.111 2.574 125 2HB LEU 16 1HB LEU 16 3.809 24.673 1.828 126 HG LEU 16 HG LEU 16 6.163 23.438 1.411 127 1HD1 LEU 16 1HD1 LEU 16 6.064 21.218 1.611 128 2HD1 LEU 16 2HD1 LEU 16 4.675 21.165 0.539 129 3HD1 LEU 16 3HD1 LEU 16 4.437 21.366 2.268 130 1HD2 LEU 16 1HD2 LEU 16 3.970 24.276 -0.125 131 2HD2 LEU 16 2HD2 LEU 16 4.229 22.607 -0.627 132 3HD2 LEU 16 3HD2 LEU 16 5.539 23.778 -0.758 133 H THR 17 H THR 17 2.872 23.527 4.407 134 HA THR 17 HA THR 17 2.657 25.813 6.283 135 HB THR 17 HB THR 17 1.532 25.783 3.780 136 HG1 THR 17 HG1 THR 17 1.404 27.637 4.832 137 1HG2 THR 17 1HG2 THR 17 0.079 23.902 4.294 138 2HG2 THR 17 2HG2 THR 17 -0.887 25.362 4.107 139 3HG2 THR 17 3HG2 THR 17 -0.553 24.733 5.714 140 H GLN 18 H GLN 18 2.732 22.576 5.957 141 HA GLN 18 HA GLN 18 1.808 20.772 7.165 142 1HB GLN 18 2HB GLN 18 0.665 22.859 9.036 143 2HB GLN 18 1HB GLN 18 1.275 21.254 9.437 144 1HG GLN 18 2HG GLN 18 3.523 22.311 8.402 145 2HG GLN 18 1HG GLN 18 2.767 23.792 8.992 146 1HE2 GLN 18 1HE2 GLN 18 1.563 23.069 11.349 147 2HE2 GLN 18 2HE2 GLN 18 2.691 22.422 12.439 148 H VAL 19 H VAL 19 0.455 22.392 5.105 149 HA VAL 19 HA VAL 19 -1.915 23.154 4.735 150 HB VAL 19 HB VAL 19 -1.069 21.939 2.929 151 1HG1 VAL 19 1HG1 VAL 19 -0.657 19.429 3.061 152 2HG1 VAL 19 2HG1 VAL 19 -0.858 19.584 4.804 153 3HG1 VAL 19 3HG1 VAL 19 0.442 20.448 3.986 154 1HG2 VAL 19 1HG2 VAL 19 -3.032 21.168 2.154 155 2HG2 VAL 19 2HG2 VAL 19 -3.654 21.058 3.797 156 3HG2 VAL 19 3HG2 VAL 19 -2.818 19.688 3.083 157 H SER 20 H SER 20 -2.649 19.851 5.083 158 HA SER 20 HA SER 20 -4.215 20.285 7.527 159 1HB SER 20 2HB SER 20 -6.167 19.803 6.410 160 2HB SER 20 1HB SER 20 -5.265 20.363 5.018 161 HG SER 20 HG SER 20 -6.157 18.323 4.618 162 H VAL 21 H VAL 21 -1.595 19.010 6.694 163 HA VAL 21 HA VAL 21 -1.124 16.481 6.275 164 HB VAL 21 HB VAL 21 0.288 16.417 8.322 165 1HG1 VAL 21 1HG1 VAL 21 1.725 18.005 7.507 166 2HG1 VAL 21 2HG1 VAL 21 0.473 19.245 7.434 167 3HG1 VAL 21 3HG1 VAL 21 0.567 18.012 6.177 168 1HG2 VAL 21 1HG2 VAL 21 0.176 18.468 9.805 169 2HG2 VAL 21 2HG2 VAL 21 -1.198 17.374 9.961 170 3HG2 VAL 21 3HG2 VAL 21 -1.356 18.859 9.023 171 H SER 22 H SER 22 -3.013 17.563 8.968 172 HA SER 22 HA SER 22 -3.670 14.862 9.956 173 1HB SER 22 2HB SER 22 -3.563 16.898 11.383 174 2HB SER 22 1HB SER 22 -4.900 17.593 10.470 175 HG SER 22 HG SER 22 -6.062 16.587 11.914 176 H LYS 23 H LYS 23 -5.267 17.403 8.065 177 HA LYS 23 HA LYS 23 -7.676 15.831 7.633 178 1HB LYS 23 2HB LYS 23 -6.764 18.527 7.461 179 2HB LYS 23 1HB LYS 23 -7.461 18.078 5.905 180 1HG LYS 23 2HG LYS 23 -9.501 17.310 7.029 181 2HG LYS 23 1HG LYS 23 -8.801 17.724 8.595 182 1HD LYS 23 2HD LYS 23 -10.363 19.482 7.671 183 2HD LYS 23 1HD LYS 23 -8.740 20.072 8.025 184 1HE LYS 23 2HE LYS 23 -8.307 20.528 5.830 185 2HE LYS 23 1HE LYS 23 -9.064 19.021 5.279 186 1HZ LYS 23 1HZ LYS 23 -11.237 19.981 5.755 187 2HZ LYS 23 2HZ LYS 23 -10.396 20.933 4.626 188 3HZ LYS 23 3HZ LYS 23 -10.509 21.432 6.245 189 H MET 24 H MET 24 -4.779 16.689 5.612 190 HA MET 24 HA MET 24 -5.997 15.527 3.255 191 1HB MET 24 2HB MET 24 -3.181 15.291 3.023 192 2HB MET 24 1HB MET 24 -4.211 16.515 2.308 193 1HG MET 24 2HG MET 24 -3.654 18.099 3.884 194 2HG MET 24 1HG MET 24 -3.425 16.901 5.154 195 1HE MET 24 1HE MET 24 -2.057 15.175 5.063 196 2HE MET 24 2HE MET 24 -0.313 15.317 4.851 197 3HE MET 24 3HE MET 24 -1.314 14.753 3.514 198 H LEU 25 H LEU 25 -4.336 14.216 6.059 199 HA LEU 25 HA LEU 25 -3.743 11.649 4.801 200 1HB LEU 25 2HB LEU 25 -2.676 11.298 6.772 201 2HB LEU 25 1HB LEU 25 -2.965 13.011 7.026 202 HG LEU 25 HG LEU 25 -5.202 12.289 8.078 203 1HD1 LEU 25 1HD1 LEU 25 -3.973 9.738 8.877 204 2HD1 LEU 25 2HD1 LEU 25 -4.408 9.806 7.170 205 3HD1 LEU 25 3HD1 LEU 25 -5.637 10.080 8.403 206 1HD2 LEU 25 1HD2 LEU 25 -3.188 13.117 9.331 207 2HD2 LEU 25 2HD2 LEU 25 -2.696 11.440 9.532 208 3HD2 LEU 25 3HD2 LEU 25 -4.200 12.006 10.248 209 H ALA 26 H ALA 26 -6.289 12.849 7.033 210 HA ALA 26 HA ALA 26 -7.769 10.385 7.142 211 1HB ALA 26 1HB ALA 26 -9.632 12.293 7.572 212 2HB ALA 26 2HB ALA 26 -8.186 13.291 7.721 213 3HB ALA 26 3HB ALA 26 -8.409 11.900 8.782 214 H SER 27 H SER 27 -7.516 13.022 4.889 215 HA SER 27 HA SER 27 -9.853 12.168 3.304 216 1HB SER 27 2HB SER 27 -9.480 14.175 2.158 217 2HB SER 27 1HB SER 27 -8.837 14.558 3.749 218 HG SER 27 HG SER 27 -7.491 13.941 1.356 219 H PHE 28 H PHE 28 -6.326 12.000 3.254 220 HA PHE 28 HA PHE 28 -5.924 10.985 0.624 221 1HB PHE 28 2HB PHE 28 -3.947 11.550 1.652 222 2HB PHE 28 1HB PHE 28 -4.536 11.086 3.240 223 HD1 PHE 28 HD1 PHE 28 -2.616 10.063 0.343 224 HD2 PHE 28 HD2 PHE 28 -4.609 8.634 3.868 225 HE1 PHE 28 HE1 PHE 28 -1.286 7.986 0.260 226 HE2 PHE 28 HE2 PHE 28 -3.294 6.558 3.775 227 HZ PHE 28 HZ PHE 28 -1.626 6.222 1.966 228 H GLU 29 H GLU 29 -6.533 9.215 3.698 229 HA GLU 29 HA GLU 29 -6.596 6.647 2.364 230 1HB GLU 29 2HB GLU 29 -6.168 7.042 4.808 231 2HB GLU 29 1HB GLU 29 -7.855 7.544 4.976 232 1HG GLU 29 2HG GLU 29 -8.005 5.163 3.555 233 2HG GLU 29 1HG GLU 29 -6.739 4.869 4.737 234 H LYS 30 H LYS 30 -8.848 9.205 3.217 235 HA LYS 30 HA LYS 30 -11.275 7.833 2.529 236 1HB LYS 30 2HB LYS 30 -11.067 9.971 3.830 237 2HB LYS 30 1HB LYS 30 -10.567 10.780 2.346 238 1HG LYS 30 2HG LYS 30 -12.678 10.337 1.290 239 2HG LYS 30 1HG LYS 30 -13.171 9.266 2.602 240 1HD LYS 30 2HD LYS 30 -13.509 11.036 4.098 241 2HD LYS 30 1HD LYS 30 -12.459 12.127 3.195 242 1HE LYS 30 2HE LYS 30 -14.184 12.001 1.300 243 2HE LYS 30 1HE LYS 30 -15.268 11.242 2.484 244 1HZ LYS 30 1HZ LYS 30 -15.489 13.674 2.473 245 2HZ LYS 30 2HZ LYS 30 -13.845 13.825 2.878 246 3HZ LYS 30 3HZ LYS 30 -14.929 13.100 3.968 247 H ILE 31 H ILE 31 -8.642 9.128 0.649 248 HA ILE 31 HA ILE 31 -10.354 8.909 -1.786 249 HB ILE 31 HB ILE 31 -8.391 10.169 -2.802 250 1HG1 ILE 31 2HG1 ILE 31 -7.454 11.673 -0.774 251 2HG1 ILE 31 1HG1 ILE 31 -7.550 10.095 -0.016 252 1HG2 ILE 31 1HG2 ILE 31 -10.689 11.030 -2.081 253 2HG2 ILE 31 2HG2 ILE 31 -9.415 12.238 -2.262 254 3HG2 ILE 31 3HG2 ILE 31 -9.867 11.664 -0.656 255 1HD1 ILE 31 1HD1 ILE 31 -6.449 9.277 -2.265 256 2HD1 ILE 31 2HD1 ILE 31 -5.448 9.957 -0.983 257 3HD1 ILE 31 3HD1 ILE 31 -5.917 10.954 -2.360 258 H ILE 32 H ILE 32 -7.509 7.752 -0.169 259 HA ILE 32 HA ILE 32 -6.523 6.209 -2.412 260 HB ILE 32 HB ILE 32 -6.165 5.848 0.586 261 1HG1 ILE 32 2HG1 ILE 32 -5.326 7.975 -1.034 262 2HG1 ILE 32 1HG1 ILE 32 -4.668 7.556 0.545 263 1HG2 ILE 32 1HG2 ILE 32 -5.559 3.826 -0.605 264 2HG2 ILE 32 2HG2 ILE 32 -4.070 4.642 -0.124 265 3HG2 ILE 32 3HG2 ILE 32 -4.633 4.744 -1.792 266 1HD1 ILE 32 1HD1 ILE 32 -2.959 6.179 -0.462 267 2HD1 ILE 32 2HD1 ILE 32 -2.930 7.759 -1.246 268 3HD1 ILE 32 3HD1 ILE 32 -3.675 6.385 -2.061 269 H THR 33 H THR 33 -8.202 5.382 0.586 270 HA THR 33 HA THR 33 -8.865 2.752 -0.391 271 HB THR 33 HB THR 33 -8.919 4.335 2.048 272 HG1 THR 33 HG1 THR 33 -8.443 2.365 2.904 273 1HG2 THR 33 1HG2 THR 33 -10.782 2.960 3.070 274 2HG2 THR 33 2HG2 THR 33 -11.281 2.591 1.419 275 3HG2 THR 33 3HG2 THR 33 -11.280 4.260 1.990 276 H GLU 34 H GLU 34 -10.459 5.941 -0.191 277 HA GLU 34 HA GLU 34 -13.075 4.879 -0.935 278 1HB GLU 34 2HB GLU 34 -11.785 7.589 -0.768 279 2HB GLU 34 1HB GLU 34 -13.487 7.371 -1.157 280 1HG GLU 34 2HG GLU 34 -12.179 6.224 1.338 281 2HG GLU 34 1HG GLU 34 -13.056 7.755 1.318 282 H THR 35 H THR 35 -10.308 6.421 -2.739 283 HA THR 35 HA THR 35 -11.831 6.583 -5.217 284 HB THR 35 HB THR 35 -8.830 6.262 -4.823 285 HG1 THR 35 HG1 THR 35 -8.795 8.330 -4.365 286 1HG2 THR 35 1HG2 THR 35 -9.899 7.885 -7.039 287 2HG2 THR 35 2HG2 THR 35 -10.284 6.169 -7.153 288 3HG2 THR 35 3HG2 THR 35 -8.604 6.690 -7.045 289 H VAL 36 H VAL 36 -9.868 4.110 -3.618 290 HA VAL 36 HA VAL 36 -9.950 2.146 -5.708 291 HB VAL 36 HB VAL 36 -9.643 2.264 -2.748 292 1HG1 VAL 36 1HG1 VAL 36 -11.177 0.487 -2.647 293 2HG1 VAL 36 2HG1 VAL 36 -9.631 -0.348 -2.809 294 3HG1 VAL 36 3HG1 VAL 36 -10.680 -0.154 -4.214 295 1HG2 VAL 36 1HG2 VAL 36 -7.560 2.116 -3.641 296 2HG2 VAL 36 2HG2 VAL 36 -8.160 1.455 -5.161 297 3HG2 VAL 36 3HG2 VAL 36 -7.909 0.393 -3.775 298 H ALA 37 H ALA 37 -12.233 3.251 -3.263 299 HA ALA 37 HA ALA 37 -14.333 1.374 -4.167 300 1HB ALA 37 1HB ALA 37 -13.906 2.041 -1.770 301 2HB ALA 37 2HB ALA 37 -15.567 2.262 -2.317 302 3HB ALA 37 3HB ALA 37 -14.487 3.647 -2.190 303 H LYS 38 H LYS 38 -13.039 3.913 -5.584 304 HA LYS 38 HA LYS 38 -15.657 4.965 -6.578 305 1HB LYS 38 2HB LYS 38 -13.701 6.337 -5.086 306 2HB LYS 38 1HB LYS 38 -13.446 6.858 -6.749 307 1HG LYS 38 2HG LYS 38 -15.576 7.787 -6.925 308 2HG LYS 38 1HG LYS 38 -16.238 6.762 -5.651 309 1HD LYS 38 2HD LYS 38 -14.208 8.968 -5.192 310 2HD LYS 38 1HD LYS 38 -15.943 9.138 -4.927 311 1HE LYS 38 2HE LYS 38 -15.594 6.946 -3.451 312 2HE LYS 38 1HE LYS 38 -13.934 7.569 -3.350 313 1HZ LYS 38 1HZ LYS 38 -14.817 9.728 -2.716 314 2HZ LYS 38 2HZ LYS 38 -15.330 8.537 -1.619 315 3HZ LYS 38 3HZ LYS 38 -16.402 9.132 -2.795 316 H GLY 39 H GLY 39 -13.424 2.946 -7.345 317 1HA GLY 39 2HA GLY 39 -12.822 2.112 -9.449 318 2HA GLY 39 1HA GLY 39 -13.478 3.574 -10.186 319 H ASP 40 H ASP 40 -11.056 3.351 -7.613 320 HA ASP 40 HA ASP 40 -9.340 5.359 -8.642 321 1HB ASP 40 2HB ASP 40 -9.323 4.623 -6.337 322 2HB ASP 40 1HB ASP 40 -8.867 2.997 -6.809 323 H LYS 41 H LYS 41 -7.160 5.131 -9.333 324 HA LYS 41 HA LYS 41 -6.172 2.653 -10.546 325 1HB LYS 41 2HB LYS 41 -7.097 5.089 -12.118 326 2HB LYS 41 1HB LYS 41 -5.937 3.938 -12.785 327 1HG LYS 41 2HG LYS 41 -7.647 2.116 -12.228 328 2HG LYS 41 1HG LYS 41 -8.800 3.425 -11.961 329 1HD LYS 41 2HD LYS 41 -7.214 3.457 -14.493 330 2HD LYS 41 1HD LYS 41 -8.532 2.293 -14.359 331 1HE LYS 41 2HE LYS 41 -9.728 4.569 -13.386 332 2HE LYS 41 1HE LYS 41 -8.657 5.227 -14.640 333 1HZ LYS 41 1HZ LYS 41 -10.430 2.876 -15.027 334 2HZ LYS 41 2HZ LYS 41 -9.501 3.659 -16.214 335 3HZ LYS 41 3HZ LYS 41 -10.831 4.451 -15.512 336 H VAL 42 H VAL 42 -5.119 3.835 -8.455 337 HA VAL 42 HA VAL 42 -3.206 5.963 -9.200 338 HB VAL 42 HB VAL 42 -4.417 4.746 -6.759 339 1HG1 VAL 42 1HG1 VAL 42 -1.760 6.207 -6.729 340 2HG1 VAL 42 2HG1 VAL 42 -2.047 4.545 -6.214 341 3HG1 VAL 42 3HG1 VAL 42 -2.745 5.882 -5.304 342 1HG2 VAL 42 1HG2 VAL 42 -5.385 6.768 -7.618 343 2HG2 VAL 42 2HG2 VAL 42 -3.807 7.548 -7.726 344 3HG2 VAL 42 3HG2 VAL 42 -4.512 7.197 -6.148 345 H GLN 43 H GLN 43 -0.940 5.707 -8.967 346 HA GLN 43 HA GLN 43 0.091 2.957 -8.467 347 1HB GLN 43 2HB GLN 43 0.263 2.853 -10.749 348 2HB GLN 43 1HB GLN 43 0.060 4.593 -10.930 349 1HG GLN 43 2HG GLN 43 2.332 5.019 -10.715 350 2HG GLN 43 1HG GLN 43 2.629 3.539 -9.802 351 1HE2 GLN 43 1HE2 GLN 43 1.143 4.211 -13.033 352 2HE2 GLN 43 2HE2 GLN 43 2.095 3.078 -13.863 353 H LEU 44 H LEU 44 1.082 3.543 -6.499 354 HA LEU 44 HA LEU 44 2.428 6.037 -6.011 355 1HB LEU 44 2HB LEU 44 2.687 3.288 -4.756 356 2HB LEU 44 1HB LEU 44 3.331 4.763 -4.051 357 HG LEU 44 HG LEU 44 0.448 3.954 -4.416 358 1HD1 LEU 44 1HD1 LEU 44 0.349 4.646 -2.040 359 2HD1 LEU 44 2HD1 LEU 44 2.048 5.102 -2.106 360 3HD1 LEU 44 3HD1 LEU 44 1.581 3.417 -2.287 361 1HD2 LEU 44 1HD2 LEU 44 -0.009 6.359 -3.594 362 2HD2 LEU 44 2HD2 LEU 44 0.395 6.156 -5.299 363 3HD2 LEU 44 3HD2 LEU 44 1.617 6.723 -4.163 364 H THR 45 H THR 45 4.215 6.647 -7.152 365 HA THR 45 HA THR 45 6.153 6.379 -8.535 366 HB THR 45 HB THR 45 7.222 6.972 -6.581 367 HG1 THR 45 HG1 THR 45 8.689 5.635 -7.553 368 1HG2 THR 45 1HG2 THR 45 5.556 6.110 -5.046 369 2HG2 THR 45 2HG2 THR 45 7.148 5.599 -4.488 370 3HG2 THR 45 3HG2 THR 45 6.094 4.458 -5.322 371 H GLY 46 H GLY 46 6.917 3.495 -6.646 372 1HA GLY 46 2HA GLY 46 6.253 1.759 -8.941 373 2HA GLY 46 1HA GLY 46 7.950 1.851 -8.474 374 H PHE 47 H PHE 47 5.624 2.129 -5.881 375 HA PHE 47 HA PHE 47 6.269 -0.702 -5.186 376 1HB PHE 47 2HB PHE 47 6.386 -0.044 -2.872 377 2HB PHE 47 1HB PHE 47 7.402 1.032 -3.814 378 HD1 PHE 47 HD1 PHE 47 6.994 3.392 -3.867 379 HD2 PHE 47 HD2 PHE 47 4.114 0.761 -2.064 380 HE1 PHE 47 HE1 PHE 47 5.852 5.330 -2.853 381 HE2 PHE 47 HE2 PHE 47 2.966 2.708 -1.069 382 HZ PHE 47 HZ PHE 47 3.837 4.994 -1.457 383 H LEU 48 H LEU 48 3.690 1.756 -4.993 384 HA LEU 48 HA LEU 48 1.799 -0.480 -4.410 385 1HB LEU 48 2HB LEU 48 2.223 2.192 -3.377 386 2HB LEU 48 1HB LEU 48 0.547 1.920 -3.830 387 HG LEU 48 HG LEU 48 1.601 1.234 -1.424 388 1HD1 LEU 48 1HD1 LEU 48 -0.638 -0.021 -3.010 389 2HD1 LEU 48 2HD1 LEU 48 -0.748 1.254 -1.797 390 3HD1 LEU 48 3HD1 LEU 48 -0.369 -0.397 -1.309 391 1HD2 LEU 48 1HD2 LEU 48 2.971 -0.560 -2.753 392 2HD2 LEU 48 2HD2 LEU 48 1.446 -1.439 -2.788 393 3HD2 LEU 48 3HD2 LEU 48 2.188 -1.019 -1.245 394 H ASN 49 H ASN 49 0.894 -1.115 -6.294 395 HA ASN 49 HA ASN 49 0.183 0.830 -8.429 396 1HB ASN 49 2HB ASN 49 1.186 -1.731 -8.339 397 2HB ASN 49 1HB ASN 49 -0.530 -2.051 -8.593 398 1HD2 ASN 49 1HD2 ASN 49 -1.177 0.257 -10.187 399 2HD2 ASN 49 2HD2 ASN 49 -0.365 0.120 -11.672 400 H ILE 50 H ILE 50 -1.484 1.691 -6.623 401 HA ILE 50 HA ILE 50 -3.706 0.267 -5.686 402 HB ILE 50 HB ILE 50 -3.514 3.122 -6.658 403 1HG1 ILE 50 2HG1 ILE 50 -1.778 2.490 -5.005 404 2HG1 ILE 50 1HG1 ILE 50 -2.938 3.622 -4.316 405 1HG2 ILE 50 1HG2 ILE 50 -5.319 2.141 -4.456 406 2HG2 ILE 50 2HG2 ILE 50 -5.850 2.068 -6.134 407 3HG2 ILE 50 3HG2 ILE 50 -5.437 3.620 -5.407 408 1HD1 ILE 50 1HD1 ILE 50 -2.261 0.999 -3.389 409 2HD1 ILE 50 2HD1 ILE 50 -3.953 0.992 -3.882 410 3HD1 ILE 50 3HD1 ILE 50 -3.389 2.151 -2.679 411 H LYS 51 H LYS 51 -5.105 -0.980 -6.863 412 HA LYS 51 HA LYS 51 -6.609 0.177 -9.100 413 1HB LYS 51 2HB LYS 51 -4.428 -1.830 -9.220 414 2HB LYS 51 1HB LYS 51 -5.873 -2.228 -10.149 415 1HG LYS 51 2HG LYS 51 -4.350 0.363 -10.298 416 2HG LYS 51 1HG LYS 51 -4.260 -0.944 -11.474 417 1HD LYS 51 2HD LYS 51 -6.640 0.804 -10.820 418 2HD LYS 51 1HD LYS 51 -5.829 0.632 -12.372 419 1HE LYS 51 2HE LYS 51 -7.429 -1.547 -10.964 420 2HE LYS 51 1HE LYS 51 -7.946 -0.639 -12.397 421 1HZ LYS 51 1HZ LYS 51 -5.580 -2.416 -12.158 422 2HZ LYS 51 2HZ LYS 51 -5.842 -1.376 -13.476 423 3HZ LYS 51 3HZ LYS 51 -6.931 -2.641 -13.157 424 HA PRO 52 HA PRO 52 -9.159 -2.702 -6.679 425 1HB PRO 52 2HB PRO 52 -11.573 -1.600 -7.335 426 2HB PRO 52 1HB PRO 52 -10.533 -0.943 -6.055 427 1HG PRO 52 2HG PRO 52 -10.970 0.027 -8.823 428 2HG PRO 52 1HG PRO 52 -10.662 0.940 -7.340 429 1HD PRO 52 2HD PRO 52 -8.777 0.406 -9.292 430 2HD PRO 52 1HD PRO 52 -8.406 0.835 -7.607 431 H VAL 53 H VAL 53 -10.424 -4.483 -7.393 432 HA VAL 53 HA VAL 53 -10.587 -4.845 -10.344 433 HB VAL 53 HB VAL 53 -10.622 -7.058 -8.321 434 1HG1 VAL 53 1HG1 VAL 53 -8.997 -7.162 -10.796 435 2HG1 VAL 53 2HG1 VAL 53 -10.738 -7.027 -11.046 436 3HG1 VAL 53 3HG1 VAL 53 -10.083 -8.371 -10.111 437 1HG2 VAL 53 1HG2 VAL 53 -8.677 -6.149 -7.485 438 2HG2 VAL 53 2HG2 VAL 53 -8.370 -5.201 -8.937 439 3HG2 VAL 53 3HG2 VAL 53 -7.985 -6.921 -8.908 440 H ALA 54 H ALA 54 -12.215 -7.300 -9.731 441 HA ALA 54 HA ALA 54 -14.680 -6.701 -8.464 442 1HB ALA 54 1HB ALA 54 -15.533 -5.130 -9.866 443 2HB ALA 54 2HB ALA 54 -15.631 -6.386 -11.097 444 3HB ALA 54 3HB ALA 54 -14.205 -5.354 -11.002 445 H ARG 55 H ARG 55 -14.884 -8.926 -8.025 446 HA ARG 55 HA ARG 55 -16.122 -10.726 -9.768 447 1HB ARG 55 2HB ARG 55 -14.079 -12.110 -10.505 448 2HB ARG 55 1HB ARG 55 -14.317 -10.584 -11.348 449 1HG ARG 55 2HG ARG 55 -12.391 -9.709 -10.527 450 2HG ARG 55 1HG ARG 55 -12.716 -10.309 -8.901 451 1HD ARG 55 2HD ARG 55 -12.009 -12.364 -10.944 452 2HD ARG 55 1HD ARG 55 -10.702 -11.293 -10.401 453 HE ARG 55 HE ARG 55 -12.354 -12.333 -8.218 454 1HH1 ARG 55 1HH2 ARG 55 -11.318 -14.801 -9.441 455 2HH1 ARG 55 2HH2 ARG 55 -9.759 -14.978 -8.709 456 1HH2 ARG 55 2HH1 ARG 55 -9.604 -11.691 -7.616 457 2HH2 ARG 55 1HH1 ARG 55 -8.788 -13.217 -7.675 458 H GLN 56 H GLN 56 -16.664 -10.855 -7.312 459 HA GLN 56 HA GLN 56 -15.342 -13.262 -6.215 460 1HB GLN 56 2HB GLN 56 -15.138 -10.468 -5.105 461 2HB GLN 56 1HB GLN 56 -15.019 -11.864 -4.034 462 1HG GLN 56 2HG GLN 56 -13.289 -12.695 -5.877 463 2HG GLN 56 1HG GLN 56 -13.152 -10.966 -6.195 464 1HE2 GLN 56 1HE2 GLN 56 -13.662 -10.174 -3.378 465 2HE2 GLN 56 2HE2 GLN 56 -12.271 -10.604 -2.506 466 H ALA 57 H ALA 57 -16.742 -14.363 -4.797 467 HA ALA 57 HA ALA 57 -18.748 -13.308 -3.167 468 1HB ALA 57 1HB ALA 57 -19.527 -13.547 -6.044 469 2HB ALA 57 2HB ALA 57 -19.970 -12.316 -4.860 470 3HB ALA 57 3HB ALA 57 -20.737 -13.901 -4.812 471 H ARG 58 H ARG 58 -19.798 -14.803 -2.091 472 HA ARG 58 HA ARG 58 -19.200 -17.242 -1.351 473 1HB ARG 58 2HB ARG 58 -21.836 -17.609 -1.449 474 2HB ARG 58 1HB ARG 58 -21.137 -16.349 -0.456 475 1HG ARG 58 2HG ARG 58 -23.026 -15.543 -1.860 476 2HG ARG 58 1HG ARG 58 -21.521 -14.687 -2.167 477 1HD ARG 58 2HD ARG 58 -21.261 -15.603 -4.263 478 2HD ARG 58 1HD ARG 58 -22.087 -17.106 -3.823 479 HE ARG 58 HE ARG 58 -24.225 -15.955 -4.040 480 1HH1 ARG 58 1HH2 ARG 58 -22.623 -15.205 -6.564 481 2HH1 ARG 58 2HH2 ARG 58 -22.979 -13.514 -6.675 482 1HH2 ARG 58 2HH1 ARG 58 -24.184 -13.285 -3.431 483 2HH2 ARG 58 1HH1 ARG 58 -23.863 -12.426 -4.901 484 H LYS 59 H LYS 59 -21.547 -18.867 -2.258 485 HA LYS 59 HA LYS 59 -20.802 -20.992 -3.544 486 1HB LYS 59 2HB LYS 59 -23.119 -20.412 -3.210 487 2HB LYS 59 1HB LYS 59 -23.032 -19.152 -4.437 488 1HG LYS 59 2HG LYS 59 -22.153 -21.595 -5.639 489 2HG LYS 59 1HG LYS 59 -23.661 -21.925 -4.789 490 1HD LYS 59 2HD LYS 59 -23.219 -19.699 -6.804 491 2HD LYS 59 1HD LYS 59 -24.115 -21.190 -7.095 492 1HE LYS 59 2HE LYS 59 -25.286 -20.181 -4.771 493 2HE LYS 59 1HE LYS 59 -25.007 -18.741 -5.771 494 1HZ LYS 59 1HZ LYS 59 -26.303 -21.264 -6.660 495 2HZ LYS 59 2HZ LYS 59 -25.970 -19.932 -7.660 496 3HZ LYS 59 3HZ LYS 59 -27.088 -19.786 -6.389 497 H GLY 60 H GLY 60 -18.695 -19.926 -4.407 498 1HA GLY 60 2HA GLY 60 -18.719 -20.161 -7.299 499 2HA GLY 60 1HA GLY 60 -18.427 -18.501 -6.774 500 H PHE 61 H PHE 61 -16.617 -18.185 -5.186 501 HA PHE 61 HA PHE 61 -14.684 -20.047 -4.403 502 1HB PHE 61 2HB PHE 61 -14.233 -20.906 -6.506 503 2HB PHE 61 1HB PHE 61 -14.647 -19.404 -7.321 504 HD1 PHE 61 HD1 PHE 61 -12.922 -18.093 -8.201 505 HD2 PHE 61 HD2 PHE 61 -12.019 -20.807 -4.990 506 HE1 PHE 61 HE1 PHE 61 -10.529 -17.585 -8.448 507 HE2 PHE 61 HE2 PHE 61 -9.638 -20.285 -5.242 508 HZ PHE 61 HZ PHE 61 -8.883 -18.673 -6.976 509 H ASN 62 H ASN 62 -13.198 -18.951 -3.185 510 HA ASN 62 HA ASN 62 -13.199 -16.044 -3.089 511 1HB ASN 62 2HB ASN 62 -12.093 -18.370 -1.673 512 2HB ASN 62 1HB ASN 62 -10.962 -17.020 -1.725 513 1HD2 ASN 62 1HD2 ASN 62 -11.220 -15.624 0.022 514 2HD2 ASN 62 2HD2 ASN 62 -12.687 -15.319 0.819 515 HA PRO 63 HA PRO 63 -9.787 -15.280 -5.797 516 1HB PRO 63 2HB PRO 63 -8.021 -13.746 -4.378 517 2HB PRO 63 1HB PRO 63 -9.581 -13.125 -4.954 518 1HG PRO 63 2HG PRO 63 -8.795 -14.039 -2.237 519 2HG PRO 63 1HG PRO 63 -9.862 -12.712 -2.718 520 1HD PRO 63 2HD PRO 63 -10.746 -15.144 -1.819 521 2HD PRO 63 1HD PRO 63 -11.690 -14.069 -2.873 522 H GLN 64 H GLN 64 -9.552 -17.831 -4.780 523 HA GLN 64 HA GLN 64 -6.693 -18.062 -4.036 524 1HB GLN 64 2HB GLN 64 -9.086 -19.731 -3.287 525 2HB GLN 64 1HB GLN 64 -7.429 -20.109 -2.812 526 1HG GLN 64 2HG GLN 64 -8.262 -17.336 -2.230 527 2HG GLN 64 1HG GLN 64 -9.147 -18.567 -1.330 528 1HE2 GLN 64 1HE2 GLN 64 -5.718 -18.637 -2.418 529 2HE2 GLN 64 2HE2 GLN 64 -5.069 -18.780 -0.856 530 H THR 65 H THR 65 -8.050 -21.043 -4.470 531 HA THR 65 HA THR 65 -7.662 -21.240 -7.383 532 HB THR 65 HB THR 65 -5.994 -23.254 -6.262 533 HG1 THR 65 HG1 THR 65 -5.223 -20.690 -5.364 534 1HG2 THR 65 1HG2 THR 65 -5.759 -22.124 -8.461 535 2HG2 THR 65 2HG2 THR 65 -4.255 -22.110 -7.538 536 3HG2 THR 65 3HG2 THR 65 -5.248 -20.656 -7.628 537 H GLN 66 H GLN 66 -8.470 -22.701 -4.282 538 HA GLN 66 HA GLN 66 -10.427 -24.456 -5.609 539 1HB GLN 66 2HB GLN 66 -9.412 -26.472 -4.557 540 2HB GLN 66 1HB GLN 66 -8.296 -25.697 -5.681 541 1HG GLN 66 2HG GLN 66 -8.242 -24.917 -2.778 542 2HG GLN 66 1HG GLN 66 -7.449 -26.404 -3.291 543 1HE2 GLN 66 1HE2 GLN 66 -7.003 -23.033 -2.988 544 2HE2 GLN 66 2HE2 GLN 66 -5.626 -22.884 -3.969 545 H GLU 67 H GLU 67 -10.469 -22.194 -3.651 546 HA GLU 67 HA GLU 67 -11.624 -23.631 -1.283 547 1HB GLU 67 2HB GLU 67 -9.554 -22.334 -0.863 548 2HB GLU 67 1HB GLU 67 -10.332 -20.892 -1.514 549 1HG GLU 67 2HG GLU 67 -11.718 -20.640 0.318 550 2HG GLU 67 1HG GLU 67 -11.722 -22.365 0.684 551 H ALA 68 H ALA 68 -13.804 -23.660 -1.941 552 HA ALA 68 HA ALA 68 -15.046 -21.059 -2.740 553 1HB ALA 68 1HB ALA 68 -15.128 -23.463 -3.942 554 2HB ALA 68 2HB ALA 68 -16.488 -22.343 -4.005 555 3HB ALA 68 3HB ALA 68 -16.489 -23.668 -2.840 556 H LEU 69 H LEU 69 -16.622 -20.142 -1.439 557 HA LEU 69 HA LEU 69 -17.839 -21.718 0.761 558 1HB LEU 69 2HB LEU 69 -17.097 -19.856 2.364 559 2HB LEU 69 1HB LEU 69 -15.834 -20.956 1.817 560 HG LEU 69 HG LEU 69 -16.287 -18.583 0.100 561 1HD1 LEU 69 1HD1 LEU 69 -14.968 -18.340 2.822 562 2HD1 LEU 69 2HD1 LEU 69 -16.525 -17.633 2.389 563 3HD1 LEU 69 3HD1 LEU 69 -15.053 -17.080 1.592 564 1HD2 LEU 69 1HD2 LEU 69 -14.079 -20.360 1.020 565 2HD2 LEU 69 2HD2 LEU 69 -13.641 -18.701 0.606 566 3HD2 LEU 69 3HD2 LEU 69 -14.420 -19.732 -0.593 567 H GLU 70 H GLU 70 -19.110 -19.738 2.148 568 HA GLU 70 HA GLU 70 -20.850 -18.518 0.045 569 1HB GLU 70 2HB GLU 70 -21.145 -19.506 2.862 570 2HB GLU 70 1HB GLU 70 -22.249 -18.244 2.313 571 1HG GLU 70 2HG GLU 70 -23.481 -19.891 1.381 572 2HG GLU 70 1HG GLU 70 -22.192 -20.051 0.187 573 H ILE 71 H ILE 71 -19.157 -16.801 -0.180 574 HA ILE 71 HA ILE 71 -18.932 -14.788 1.982 575 HB ILE 71 HB ILE 71 -16.889 -14.504 1.059 576 1HG1 ILE 71 2HG1 ILE 71 -18.510 -13.875 -1.358 577 2HG1 ILE 71 1HG1 ILE 71 -17.295 -12.901 -0.544 578 1HG2 ILE 71 1HG2 ILE 71 -15.984 -16.223 -0.263 579 2HG2 ILE 71 2HG2 ILE 71 -17.499 -16.483 -1.118 580 3HG2 ILE 71 3HG2 ILE 71 -17.332 -16.999 0.561 581 1HD1 ILE 71 1HD1 ILE 71 -15.572 -14.460 -1.466 582 2HD1 ILE 71 2HD1 ILE 71 -16.441 -13.512 -2.674 583 3HD1 ILE 71 3HD1 ILE 71 -16.854 -15.209 -2.418 584 H ALA 72 H ALA 72 -18.565 -12.545 0.441 585 HA ALA 72 HA ALA 72 -21.217 -12.059 -0.838 586 1HB ALA 72 1HB ALA 72 -20.348 -9.667 -0.018 587 2HB ALA 72 2HB ALA 72 -19.431 -10.676 1.101 588 3HB ALA 72 3HB ALA 72 -21.194 -10.763 1.074 589 HA PRO 73 HA PRO 73 -18.910 -10.455 -4.242 590 1HB PRO 73 2HB PRO 73 -20.590 -8.490 -5.127 591 2HB PRO 73 1HB PRO 73 -20.967 -10.215 -5.289 592 1HG PRO 73 2HG PRO 73 -22.089 -8.211 -3.451 593 2HG PRO 73 1HG PRO 73 -22.796 -9.716 -4.054 594 1HD PRO 73 2HD PRO 73 -21.622 -9.276 -1.511 595 2HD PRO 73 1HD PRO 73 -22.166 -10.824 -2.190 596 H SER 74 H SER 74 -17.198 -9.034 -4.424 597 HA SER 74 HA SER 74 -17.421 -6.255 -3.494 598 1HB SER 74 2HB SER 74 -17.032 -7.384 -1.386 599 2HB SER 74 1HB SER 74 -15.733 -8.346 -2.085 600 HG SER 74 HG SER 74 -15.754 -5.512 -1.870 601 H VAL 75 H VAL 75 -15.989 -5.010 -4.710 602 HA VAL 75 HA VAL 75 -14.549 -6.047 -6.905 603 HB VAL 75 HB VAL 75 -14.810 -3.536 -5.392 604 1HG1 VAL 75 1HG1 VAL 75 -12.355 -3.793 -7.145 605 2HG1 VAL 75 2HG1 VAL 75 -12.268 -3.945 -5.394 606 3HG1 VAL 75 3HG1 VAL 75 -12.818 -2.439 -6.119 607 1HG2 VAL 75 1HG2 VAL 75 -15.024 -4.557 -8.120 608 2HG2 VAL 75 2HG2 VAL 75 -14.339 -2.936 -8.037 609 3HG2 VAL 75 3HG2 VAL 75 -15.914 -3.265 -7.326 610 H GLY 76 H GLY 76 -11.936 -5.833 -7.021 611 1HA GLY 76 2HA GLY 76 -10.957 -7.173 -4.543 612 2HA GLY 76 1HA GLY 76 -10.319 -7.481 -6.158 613 H VAL 77 H VAL 77 -8.274 -6.968 -5.308 614 HA VAL 77 HA VAL 77 -7.682 -4.041 -5.334 615 HB VAL 77 HB VAL 77 -6.407 -6.009 -3.407 616 1HG1 VAL 77 1HG1 VAL 77 -6.464 -3.529 -2.237 617 2HG1 VAL 77 2HG1 VAL 77 -6.324 -3.106 -3.944 618 3HG1 VAL 77 3HG1 VAL 77 -5.117 -4.147 -3.191 619 1HG2 VAL 77 1HG2 VAL 77 -8.809 -6.050 -2.932 620 2HG2 VAL 77 2HG2 VAL 77 -8.869 -4.288 -2.955 621 3HG2 VAL 77 3HG2 VAL 77 -7.983 -5.124 -1.680 622 H SER 78 H SER 78 -7.040 -4.511 -7.475 623 HA SER 78 HA SER 78 -5.213 -6.480 -8.358 624 1HB SER 78 2HB SER 78 -6.573 -4.321 -9.410 625 2HB SER 78 1HB SER 78 -4.898 -3.790 -9.517 626 HG SER 78 HG SER 78 -6.125 -5.403 -11.137 627 H VAL 79 H VAL 79 -4.631 -3.228 -7.068 628 HA VAL 79 HA VAL 79 -1.887 -2.948 -7.352 629 HB VAL 79 HB VAL 79 -3.431 -1.305 -6.420 630 1HG1 VAL 79 1HG1 VAL 79 -4.091 -3.514 -4.666 631 2HG1 VAL 79 2HG1 VAL 79 -5.011 -2.049 -5.010 632 3HG1 VAL 79 3HG1 VAL 79 -3.781 -2.040 -3.748 633 1HG2 VAL 79 1HG2 VAL 79 -2.040 -0.349 -4.787 634 2HG2 VAL 79 2HG2 VAL 79 -0.935 -1.415 -5.645 635 3HG2 VAL 79 3HG2 VAL 79 -1.617 -1.917 -4.101 636 H LYS 80 H LYS 80 -0.256 -3.060 -5.620 637 HA LYS 80 HA LYS 80 -0.267 -4.779 -3.375 638 1HB LYS 80 2HB LYS 80 0.833 -6.744 -4.444 639 2HB LYS 80 1HB LYS 80 -0.741 -6.461 -5.172 640 1HG LYS 80 2HG LYS 80 0.920 -4.880 -6.708 641 2HG LYS 80 1HG LYS 80 1.930 -6.287 -6.374 642 1HD LYS 80 2HD LYS 80 -0.918 -6.722 -7.204 643 2HD LYS 80 1HD LYS 80 0.273 -6.300 -8.435 644 1HE LYS 80 2HE LYS 80 1.710 -8.197 -7.620 645 2HE LYS 80 1HE LYS 80 0.382 -8.673 -6.541 646 1HZ LYS 80 1HZ LYS 80 0.179 -9.836 -8.636 647 2HZ LYS 80 2HZ LYS 80 0.225 -8.371 -9.495 648 3HZ LYS 80 3HZ LYS 80 -1.092 -8.724 -8.482 649 HA PRO 81 HA PRO 81 3.845 -3.050 -3.228 650 1HB PRO 81 2HB PRO 81 5.493 -5.194 -2.684 651 2HB PRO 81 1HB PRO 81 4.465 -4.423 -1.456 652 1HG PRO 81 2HG PRO 81 3.933 -6.881 -3.080 653 2HG PRO 81 1HG PRO 81 3.702 -6.613 -1.341 654 1HD PRO 81 2HD PRO 81 1.625 -6.471 -3.009 655 2HD PRO 81 1HD PRO 81 1.777 -5.319 -1.663 656 H GLY 82 H GLY 82 5.458 -2.660 -4.840 657 1HA GLY 82 2HA GLY 82 5.398 -4.590 -7.155 658 2HA GLY 82 1HA GLY 82 5.481 -2.841 -7.378 659 H GLU 83 H GLU 83 7.458 -1.868 -7.348 660 HA GLU 83 HA GLU 83 9.881 -3.528 -7.327 661 1HB GLU 83 2HB GLU 83 9.434 -1.368 -8.636 662 2HB GLU 83 1HB GLU 83 9.598 -0.516 -7.097 663 1HG GLU 83 2HG GLU 83 11.839 -1.282 -6.804 664 2HG GLU 83 1HG GLU 83 11.692 -2.426 -8.138 665 H SER 84 H SER 84 8.556 -4.011 -5.056 666 HA SER 84 HA SER 84 8.455 -3.407 -2.696 667 1HB SER 84 2HB SER 84 9.352 -5.550 -2.886 668 2HB SER 84 1HB SER 84 10.747 -4.978 -3.787 669 HG SER 84 HG SER 84 11.565 -4.116 -1.871 670 H LEU 85 H LEU 85 9.163 -1.020 -3.940 671 HA LEU 85 HA LEU 85 11.017 0.609 -3.887 672 1HB LEU 85 2HB LEU 85 10.806 1.675 -1.662 673 2HB LEU 85 1HB LEU 85 9.216 1.148 -2.207 674 HG LEU 85 HG LEU 85 10.058 -1.085 -0.900 675 1HD1 LEU 85 1HD1 LEU 85 10.823 0.807 1.170 676 2HD1 LEU 85 2HD1 LEU 85 11.940 0.830 -0.186 677 3HD1 LEU 85 3HD1 LEU 85 11.622 -0.679 0.662 678 1HD2 LEU 85 1HD2 LEU 85 8.002 0.649 -0.692 679 2HD2 LEU 85 2HD2 LEU 85 8.850 1.028 0.807 680 3HD2 LEU 85 3HD2 LEU 85 8.298 -0.618 0.498 681 H LYS 86 H LYS 86 11.499 -2.208 -3.745 682 HA LYS 86 HA LYS 86 13.440 -3.236 -1.975 683 1HB LYS 86 2HB LYS 86 12.395 -4.679 -3.555 684 2HB LYS 86 1HB LYS 86 12.473 -3.475 -4.829 685 1HG LYS 86 2HG LYS 86 15.149 -4.057 -4.312 686 2HG LYS 86 1HG LYS 86 14.342 -5.620 -4.184 687 1HD LYS 86 2HD LYS 86 13.349 -5.385 -6.365 688 2HD LYS 86 1HD LYS 86 13.873 -3.704 -6.483 689 1HE LYS 86 2HE LYS 86 16.164 -4.316 -6.730 690 2HE LYS 86 1HE LYS 86 15.861 -5.972 -6.166 691 1HZ LYS 86 1HZ LYS 86 15.989 -5.764 -8.627 692 2HZ LYS 86 2HZ LYS 86 14.600 -4.787 -8.579 693 3HZ LYS 86 3HZ LYS 86 14.522 -6.407 -8.071 694 H LYS 87 H LYS 87 13.380 -1.366 -4.833 695 HA LYS 87 HA LYS 87 16.103 -1.034 -5.296 696 1HB LYS 87 2HB LYS 87 14.032 -0.529 -6.708 697 2HB LYS 87 1HB LYS 87 13.798 0.897 -5.698 698 1HG LYS 87 2HG LYS 87 15.729 1.960 -6.519 699 2HG LYS 87 1HG LYS 87 16.452 0.444 -7.058 700 1HD LYS 87 2HD LYS 87 15.141 0.342 -8.981 701 2HD LYS 87 1HD LYS 87 13.872 1.355 -8.290 702 1HE LYS 87 2HE LYS 87 15.725 3.217 -8.271 703 2HE LYS 87 1HE LYS 87 16.504 2.188 -9.489 704 1HZ LYS 87 1HZ LYS 87 14.972 3.707 -10.559 705 2HZ LYS 87 2HZ LYS 87 13.701 3.177 -9.563 706 3HZ LYS 87 3HZ LYS 87 14.393 2.118 -10.699 707 H ALA 88 H ALA 88 13.685 0.631 -3.311 708 HA ALA 88 HA ALA 88 15.673 2.528 -2.262 709 1HB ALA 88 1HB ALA 88 13.147 2.863 -2.547 710 2HB ALA 88 2HB ALA 88 13.798 3.314 -0.972 711 3HB ALA 88 3HB ALA 88 12.945 1.789 -1.169 712 H ALA 89 H ALA 89 14.259 -0.585 -1.473 713 HA ALA 89 HA ALA 89 15.154 -0.776 1.240 714 1HB ALA 89 1HB ALA 89 13.485 -2.237 -0.060 715 2HB ALA 89 2HB ALA 89 14.597 -3.085 1.009 716 3HB ALA 89 3HB ALA 89 14.893 -3.067 -0.726 717 H GLU 90 H GLU 90 16.715 -1.353 -1.860 718 HA GLU 90 HA GLU 90 19.143 -2.542 -0.878 719 1HB GLU 90 2HB GLU 90 18.154 -1.075 -3.280 720 2HB GLU 90 1HB GLU 90 19.899 -1.041 -3.031 721 1HG GLU 90 2HG GLU 90 19.573 -3.633 -2.617 722 2HG GLU 90 1HG GLU 90 18.109 -3.383 -3.569 723 H GLY 91 H GLY 91 17.851 0.719 -1.186 724 1HA GLY 91 2HA GLY 91 20.186 2.184 -0.405 725 2HA GLY 91 1HA GLY 91 18.529 2.759 -0.241 726 H LEU 92 H LEU 92 17.701 0.510 1.582 727 HA LEU 92 HA LEU 92 18.618 1.693 4.085 728 1HB LEU 92 2HB LEU 92 16.746 0.613 4.896 729 2HB LEU 92 1HB LEU 92 16.353 0.516 3.185 730 HG LEU 92 HG LEU 92 17.854 -1.719 3.417 731 1HD1 LEU 92 1HD1 LEU 92 17.371 -0.903 6.106 732 2HD1 LEU 92 2HD1 LEU 92 18.094 -2.413 5.553 733 3HD1 LEU 92 3HD1 LEU 92 16.352 -2.310 5.804 734 1HD2 LEU 92 1HD2 LEU 92 15.830 -2.175 2.472 735 2HD2 LEU 92 2HD2 LEU 92 14.966 -1.088 3.557 736 3HD2 LEU 92 3HD2 LEU 92 15.404 -2.707 4.097 737 H LYS 93 H LYS 93 20.435 -0.052 2.190 738 HA LYS 93 HA LYS 93 22.387 -1.322 2.641 739 1HB LYS 93 2HB LYS 93 23.097 -1.412 4.821 740 2HB LYS 93 1HB LYS 93 21.699 -0.405 5.164 741 1HG LYS 93 2HG LYS 93 20.435 -2.732 5.355 742 2HG LYS 93 1HG LYS 93 22.064 -3.367 5.607 743 1HD LYS 93 2HD LYS 93 21.489 -0.932 7.163 744 2HD LYS 93 1HD LYS 93 20.470 -2.308 7.586 745 1HE LYS 93 2HE LYS 93 22.271 -3.592 8.316 746 2HE LYS 93 1HE LYS 93 23.427 -2.747 7.267 747 1HZ LYS 93 1HZ LYS 93 21.989 -1.436 9.508 748 2HZ LYS 93 2HZ LYS 93 23.276 -0.804 8.596 749 3HZ LYS 93 3HZ LYS 93 23.543 -2.097 9.665 750 H TYR 94 H TYR 94 19.776 -2.242 1.636 751 HA TYR 94 HA TYR 94 18.610 -4.464 2.540 752 1HB TYR 94 2HB TYR 94 18.279 -4.046 0.216 753 2HB TYR 94 1HB TYR 94 20.007 -4.220 -0.132 754 HD1 TYR 94 HD1 TYR 94 20.494 -6.212 -1.247 755 HD2 TYR 94 HD2 TYR 94 17.485 -6.247 1.822 756 HE1 TYR 94 HE1 TYR 94 20.250 -8.660 -1.520 757 HE2 TYR 94 HE2 TYR 94 17.237 -8.689 1.535 758 HH TYR 94 HH TYR 94 18.223 -10.554 0.641 759 H GLU 95 H GLU 95 21.827 -5.018 0.924 760 HA GLU 95 HA GLU 95 22.864 -7.276 1.515 761 1HB GLU 95 2HB GLU 95 23.397 -5.219 3.697 762 2HB GLU 95 1HB GLU 95 24.473 -6.534 3.225 763 1HG GLU 95 2HG GLU 95 23.642 -4.266 1.390 764 2HG GLU 95 1HG GLU 95 25.165 -4.322 2.278 765 H ASP 96 H ASP 96 20.195 -7.130 1.978 766 HA ASP 96 HA ASP 96 18.432 -7.326 3.563 767 1HB ASP 96 2HB ASP 96 19.419 -9.922 4.366 768 2HB ASP 96 1HB ASP 96 18.079 -9.529 3.306 769 H PHE 97 H PHE 97 20.524 -5.784 4.760 770 HA PHE 97 HA PHE 97 21.906 -5.696 6.727 771 1HB PHE 97 2HB PHE 97 19.938 -6.399 8.598 772 2HB PHE 97 1HB PHE 97 20.287 -4.775 8.031 773 HD1 PHE 97 HD1 PHE 97 17.763 -7.156 8.446 774 HD2 PHE 97 HD2 PHE 97 19.144 -4.206 5.647 775 HE1 PHE 97 HE1 PHE 97 15.493 -7.032 7.458 776 HE2 PHE 97 HE2 PHE 97 16.876 -4.088 4.654 777 HZ PHE 97 HZ PHE 97 15.050 -5.498 5.563 778 H ALA 98 H ALA 98 21.480 -7.952 5.130 779 HA ALA 98 HA ALA 98 21.127 -10.433 6.499 780 1HB ALA 98 1HB ALA 98 22.908 -10.204 4.166 781 2HB ALA 98 2HB ALA 98 21.372 -9.371 4.000 782 3HB ALA 98 3HB ALA 98 21.397 -11.094 4.338 783 H LYS 99 H LYS 99 23.780 -8.234 6.026 784 HA LYS 99 HA LYS 99 25.704 -10.140 7.329 785 1HB LYS 99 2HB LYS 99 25.952 -8.886 4.997 786 2HB LYS 99 1HB LYS 99 26.487 -7.558 6.027 787 1HG LYS 99 2HG LYS 99 28.501 -8.526 6.283 788 2HG LYS 99 1HG LYS 99 27.741 -9.982 6.926 789 1HD LYS 99 2HD LYS 99 28.897 -10.744 5.010 790 2HD LYS 99 1HD LYS 99 27.230 -10.569 4.459 791 1HE LYS 99 2HE LYS 99 27.943 -8.153 3.777 792 2HE LYS 99 1HE LYS 99 29.597 -8.789 3.884 793 1HZ LYS 99 1HZ LYS 99 28.981 -10.600 2.430 794 2HZ LYS 99 2HZ LYS 99 28.633 -9.123 1.666 795 3HZ LYS 99 3HZ LYS 99 27.380 -10.045 2.350 796 1H MET 1 1H MET 1 -4.168 6.744 -12.480 797 2H MET 1 2H MET 1 -3.695 8.174 -13.264 798 3H MET 1 3H MET 1 -5.322 7.934 -12.838 799 HA MET 1 HA MET 1 -4.154 9.478 -11.306 800 1HB MET 1 2HB MET 1 -5.886 7.304 -10.883 801 2HB MET 1 1HB MET 1 -4.723 7.229 -9.562 802 1HG MET 1 2HG MET 1 -5.180 9.546 -8.970 803 2HG MET 1 1HG MET 1 -6.269 9.714 -10.347 804 1HE MET 1 1HE MET 1 -6.110 8.560 -6.499 805 2HE MET 1 2HE MET 1 -7.659 9.398 -6.465 806 3HE MET 1 3HE MET 1 -6.282 10.140 -7.274 807 H ASN 2 H ASN 2 -2.422 9.744 -9.803 808 HA ASN 2 HA ASN 2 -0.891 7.644 -8.730 809 1HB ASN 2 2HB ASN 2 1.112 7.738 -10.219 810 2HB ASN 2 1HB ASN 2 -0.321 7.215 -11.094 811 1HD2 ASN 2 1HD2 ASN 2 -0.318 8.182 -13.126 812 2HD2 ASN 2 2HD2 ASN 2 0.099 9.799 -13.435 813 H LYS 3 H LYS 3 1.738 9.116 -9.194 814 HA LYS 3 HA LYS 3 1.817 10.689 -6.869 815 1HB LYS 3 2HB LYS 3 3.444 10.193 -9.279 816 2HB LYS 3 1HB LYS 3 3.765 11.751 -8.521 817 1HG LYS 3 2HG LYS 3 3.650 10.089 -6.333 818 2HG LYS 3 1HG LYS 3 4.365 9.032 -7.551 819 1HD LYS 3 2HD LYS 3 5.977 10.949 -8.070 820 2HD LYS 3 1HD LYS 3 5.391 11.712 -6.596 821 1HE LYS 3 2HE LYS 3 7.119 10.518 -5.623 822 2HE LYS 3 1HE LYS 3 5.955 9.179 -5.676 823 1HZ LYS 3 1HZ LYS 3 6.769 8.496 -7.778 824 2HZ LYS 3 2HZ LYS 3 8.133 8.716 -6.789 825 3HZ LYS 3 3HZ LYS 3 7.723 9.888 -7.949 826 H THR 4 H THR 4 0.084 11.464 -9.680 827 HA THR 4 HA THR 4 0.352 14.408 -9.194 828 HB THR 4 HB THR 4 -0.354 12.726 -11.609 829 HG1 THR 4 HG1 THR 4 1.667 13.072 -11.956 830 1HG2 THR 4 1HG2 THR 4 -0.331 15.220 -12.613 831 2HG2 THR 4 2HG2 THR 4 -0.958 15.578 -11.004 832 3HG2 THR 4 3HG2 THR 4 -1.812 14.444 -12.050 833 H GLU 5 H GLU 5 -2.141 12.212 -10.531 834 HA GLU 5 HA GLU 5 -4.396 13.758 -9.952 835 1HB GLU 5 2HB GLU 5 -3.847 10.810 -10.089 836 2HB GLU 5 1HB GLU 5 -5.459 11.379 -9.669 837 1HG GLU 5 2HG GLU 5 -5.511 11.129 -12.030 838 2HG GLU 5 1HG GLU 5 -5.306 12.860 -11.763 839 H LEU 6 H LEU 6 -2.741 11.399 -7.841 840 HA LEU 6 HA LEU 6 -4.453 11.657 -5.569 841 1HB LEU 6 2HB LEU 6 -1.548 11.027 -6.041 842 2HB LEU 6 1HB LEU 6 -2.170 11.118 -4.394 843 HG LEU 6 HG LEU 6 -3.548 9.457 -6.505 844 1HD1 LEU 6 1HD1 LEU 6 -1.686 8.160 -6.545 845 2HD1 LEU 6 2HD1 LEU 6 -2.161 7.673 -4.918 846 3HD1 LEU 6 3HD1 LEU 6 -0.985 8.967 -5.143 847 1HD2 LEU 6 1HD2 LEU 6 -4.747 8.584 -4.729 848 2HD2 LEU 6 2HD2 LEU 6 -4.421 10.192 -4.084 849 3HD2 LEU 6 3HD2 LEU 6 -3.428 8.823 -3.583 850 H ILE 7 H ILE 7 -1.794 13.778 -6.717 851 HA ILE 7 HA ILE 7 -1.595 15.407 -4.379 852 HB ILE 7 HB ILE 7 -0.449 16.949 -5.730 853 1HG1 ILE 7 2HG1 ILE 7 -0.836 16.760 -8.364 854 2HG1 ILE 7 1HG1 ILE 7 -2.426 16.239 -7.833 855 1HG2 ILE 7 1HG2 ILE 7 0.776 14.924 -5.866 856 2HG2 ILE 7 2HG2 ILE 7 0.793 15.634 -7.476 857 3HG2 ILE 7 3HG2 ILE 7 -0.282 14.286 -7.122 858 1HD1 ILE 7 1HD1 ILE 7 -2.292 18.325 -6.251 859 2HD1 ILE 7 2HD1 ILE 7 -2.705 18.551 -7.950 860 3HD1 ILE 7 3HD1 ILE 7 -1.063 18.872 -7.392 861 H LYS 8 H LYS 8 -3.720 15.523 -7.198 862 HA LYS 8 HA LYS 8 -5.238 17.818 -6.377 863 1HB LYS 8 2HB LYS 8 -6.170 17.399 -8.410 864 2HB LYS 8 1HB LYS 8 -5.114 15.996 -8.527 865 1HG LYS 8 2HG LYS 8 -6.846 14.635 -7.356 866 2HG LYS 8 1HG LYS 8 -7.911 16.041 -7.353 867 1HD LYS 8 2HD LYS 8 -8.646 15.138 -9.321 868 2HD LYS 8 1HD LYS 8 -7.239 15.974 -9.977 869 1HE LYS 8 2HE LYS 8 -6.235 14.012 -10.506 870 2HE LYS 8 1HE LYS 8 -6.515 13.363 -8.879 871 1HZ LYS 8 1HZ LYS 8 -8.776 12.870 -9.451 872 2HZ LYS 8 2HZ LYS 8 -7.769 12.164 -10.623 873 3HZ LYS 8 3HZ LYS 8 -8.609 13.599 -10.974 874 H ALA 9 H ALA 9 -5.375 14.379 -5.599 875 HA ALA 9 HA ALA 9 -7.918 14.222 -4.360 876 1HB ALA 9 1HB ALA 9 -6.000 12.490 -4.834 877 2HB ALA 9 2HB ALA 9 -7.052 12.238 -3.443 878 3HB ALA 9 3HB ALA 9 -5.447 12.931 -3.218 879 H ILE 10 H ILE 10 -4.772 15.367 -3.062 880 HA ILE 10 HA ILE 10 -6.097 16.107 -0.517 881 HB ILE 10 HB ILE 10 -3.352 15.688 -1.596 882 1HG1 ILE 10 2HG1 ILE 10 -3.088 15.029 0.907 883 2HG1 ILE 10 1HG1 ILE 10 -4.843 15.200 0.974 884 1HG2 ILE 10 1HG2 ILE 10 -2.470 17.051 0.442 885 2HG2 ILE 10 2HG2 ILE 10 -4.010 17.901 0.336 886 3HG2 ILE 10 3HG2 ILE 10 -2.896 17.922 -1.029 887 1HD1 ILE 10 1HD1 ILE 10 -3.190 13.196 -0.501 888 2HD1 ILE 10 2HD1 ILE 10 -4.710 13.708 -1.231 889 3HD1 ILE 10 3HD1 ILE 10 -4.706 12.974 0.372 890 H ALA 11 H ALA 11 -4.844 17.453 -3.508 891 HA ALA 11 HA ALA 11 -4.855 20.224 -2.696 892 1HB ALA 11 1HB ALA 11 -5.522 19.394 -5.489 893 2HB ALA 11 2HB ALA 11 -4.001 18.796 -4.834 894 3HB ALA 11 3HB ALA 11 -4.296 20.528 -4.929 895 H GLN 12 H GLN 12 -7.324 17.910 -3.283 896 HA GLN 12 HA GLN 12 -9.376 20.058 -3.543 897 1HB GLN 12 2HB GLN 12 -9.565 18.644 -5.427 898 2HB GLN 12 1HB GLN 12 -9.114 17.213 -4.508 899 1HG GLN 12 2HG GLN 12 -11.503 17.159 -5.071 900 2HG GLN 12 1HG GLN 12 -11.282 17.284 -3.327 901 1HE2 GLN 12 1HE2 GLN 12 -13.201 18.494 -5.706 902 2HE2 GLN 12 2HE2 GLN 12 -13.517 20.040 -5.082 903 H ASP 13 H ASP 13 -8.576 16.975 -1.899 904 HA ASP 13 HA ASP 13 -10.805 16.936 -0.072 905 1HB ASP 13 2HB ASP 13 -7.942 15.974 -0.076 906 2HB ASP 13 1HB ASP 13 -8.916 15.811 1.380 907 H THR 14 H THR 14 -7.645 18.374 -0.126 908 HA THR 14 HA THR 14 -8.099 19.906 2.364 909 HB THR 14 HB THR 14 -5.596 20.051 0.766 910 HG1 THR 14 HG1 THR 14 -6.540 17.666 1.976 911 1HG2 THR 14 1HG2 THR 14 -6.508 19.921 3.564 912 2HG2 THR 14 2HG2 THR 14 -5.241 20.893 2.825 913 3HG2 THR 14 3HG2 THR 14 -4.938 19.205 3.214 914 H GLY 15 H GLY 15 -6.452 20.661 -0.723 915 1HA GLY 15 2HA GLY 15 -6.462 22.667 -1.966 916 2HA GLY 15 1HA GLY 15 -8.213 22.518 -1.827 917 H LEU 16 H LEU 16 -6.219 22.905 0.990 918 HA LEU 16 HA LEU 16 -7.554 25.482 1.532 919 1HB LEU 16 2HB LEU 16 -6.081 25.154 3.753 920 2HB LEU 16 1HB LEU 16 -7.650 24.388 3.541 921 HG LEU 16 HG LEU 16 -6.434 22.438 2.558 922 1HD1 LEU 16 1HD1 LEU 16 -4.215 24.229 2.892 923 2HD1 LEU 16 2HD1 LEU 16 -4.211 22.626 2.162 924 3HD1 LEU 16 3HD1 LEU 16 -3.941 22.811 3.895 925 1HD2 LEU 16 1HD2 LEU 16 -5.269 22.314 5.169 926 2HD2 LEU 16 2HD2 LEU 16 -6.770 21.575 4.613 927 3HD2 LEU 16 3HD2 LEU 16 -6.786 23.204 5.286 928 H THR 17 H THR 17 -4.464 24.154 0.765 929 HA THR 17 HA THR 17 -3.339 26.870 0.366 930 HB THR 17 HB THR 17 -2.912 25.579 2.680 931 HG1 THR 17 HG1 THR 17 -2.047 27.602 2.097 932 1HG2 THR 17 1HG2 THR 17 -0.943 24.219 2.616 933 2HG2 THR 17 2HG2 THR 17 -0.626 24.646 0.937 934 3HG2 THR 17 3HG2 THR 17 -2.004 23.623 1.345 935 H GLN 18 H GLN 18 -3.598 23.530 -0.501 936 HA GLN 18 HA GLN 18 -2.614 22.279 -2.250 937 1HB GLN 18 2HB GLN 18 -1.622 24.877 -3.407 938 2HB GLN 18 1HB GLN 18 -2.338 23.497 -4.240 939 1HG GLN 18 2HG GLN 18 -4.476 24.114 -2.857 940 2HG GLN 18 1HG GLN 18 -3.699 25.690 -2.705 941 1HE2 GLN 18 1HE2 GLN 18 -4.872 23.331 -5.136 942 2HE2 GLN 18 2HE2 GLN 18 -5.057 24.469 -6.381 943 H VAL 19 H VAL 19 -1.265 22.640 0.101 944 HA VAL 19 HA VAL 19 1.227 23.644 0.409 945 HB VAL 19 HB VAL 19 0.335 22.250 2.104 946 1HG1 VAL 19 1HG1 VAL 19 -1.130 20.679 1.390 947 2HG1 VAL 19 2HG1 VAL 19 0.270 19.610 1.327 948 3HG1 VAL 19 3HG1 VAL 19 -0.274 20.440 -0.130 949 1HG2 VAL 19 1HG2 VAL 19 2.093 20.061 1.684 950 2HG2 VAL 19 2HG2 VAL 19 2.366 21.482 2.692 951 3HG2 VAL 19 3HG2 VAL 19 2.880 21.484 1.010 952 H SER 20 H SER 20 1.578 20.315 -0.453 953 HA SER 20 HA SER 20 3.120 21.011 -2.861 954 1HB SER 20 2HB SER 20 3.934 19.873 -0.295 955 2HB SER 20 1HB SER 20 4.445 18.913 -1.664 956 HG SER 20 HG SER 20 5.082 21.156 -2.497 957 H VAL 21 H VAL 21 0.379 19.841 -2.172 958 HA VAL 21 HA VAL 21 -0.309 17.339 -2.223 959 HB VAL 21 HB VAL 21 -1.665 17.743 -4.285 960 1HG1 VAL 21 1HG1 VAL 21 -2.027 20.351 -3.157 961 2HG1 VAL 21 2HG1 VAL 21 -1.619 19.229 -1.860 962 3HG1 VAL 21 3HG1 VAL 21 -3.001 18.904 -2.904 963 1HG2 VAL 21 1HG2 VAL 21 -0.062 18.904 -5.671 964 2HG2 VAL 21 2HG2 VAL 21 0.123 20.180 -4.467 965 3HG2 VAL 21 3HG2 VAL 21 -1.394 20.015 -5.351 966 H SER 22 H SER 22 1.699 18.725 -4.687 967 HA SER 22 HA SER 22 2.200 16.132 -6.041 968 1HB SER 22 2HB SER 22 3.315 17.485 -7.648 969 2HB SER 22 1HB SER 22 1.945 18.450 -7.106 970 HG SER 22 HG SER 22 4.088 19.500 -7.162 971 H LYS 23 H LYS 23 3.929 18.439 -3.968 972 HA LYS 23 HA LYS 23 6.367 16.817 -3.978 973 1HB LYS 23 2HB LYS 23 5.519 19.490 -3.389 974 2HB LYS 23 1HB LYS 23 6.357 18.839 -1.983 975 1HG LYS 23 2HG LYS 23 8.222 18.131 -3.496 976 2HG LYS 23 1HG LYS 23 7.400 18.955 -4.820 977 1HD LYS 23 2HD LYS 23 9.203 20.326 -3.668 978 2HD LYS 23 1HD LYS 23 7.616 21.091 -3.739 979 1HE LYS 23 2HE LYS 23 7.341 21.009 -1.465 980 2HE LYS 23 1HE LYS 23 8.093 19.407 -1.338 981 1HZ LYS 23 1HZ LYS 23 9.452 21.304 -0.431 982 2HZ LYS 23 2HZ LYS 23 9.624 21.851 -2.030 983 3HZ LYS 23 3HZ LYS 23 10.236 20.333 -1.579 984 H MET 24 H MET 24 3.560 17.312 -1.817 985 HA MET 24 HA MET 24 4.913 15.917 0.378 986 1HB MET 24 2HB MET 24 2.392 15.920 1.224 987 2HB MET 24 1HB MET 24 3.373 17.370 1.290 988 1HG MET 24 2HG MET 24 1.979 18.447 -0.107 989 2HG MET 24 1HG MET 24 2.066 17.136 -1.281 990 1HE MET 24 1HE MET 24 0.812 15.744 -1.820 991 2HE MET 24 2HE MET 24 -0.811 15.314 -1.296 992 3HE MET 24 3HE MET 24 0.586 14.592 -0.500 993 H LEU 25 H LEU 25 2.563 15.028 -2.196 994 HA LEU 25 HA LEU 25 2.289 12.344 -1.024 995 1HB LEU 25 2HB LEU 25 0.506 12.298 -2.415 996 2HB LEU 25 1HB LEU 25 0.862 13.982 -2.755 997 HG LEU 25 HG LEU 25 2.292 13.292 -4.636 998 1HD1 LEU 25 1HD1 LEU 25 3.005 11.141 -4.766 999 2HD1 LEU 25 2HD1 LEU 25 1.338 10.620 -5.016 1000 3HD1 LEU 25 3HD1 LEU 25 1.997 10.710 -3.384 1001 1HD2 LEU 25 1HD2 LEU 25 0.464 12.783 -6.101 1002 2HD2 LEU 25 2HD2 LEU 25 -0.231 13.717 -4.777 1003 3HD2 LEU 25 3HD2 LEU 25 -0.417 11.968 -4.815 1004 H ALA 26 H ALA 26 4.029 13.894 -3.734 1005 HA ALA 26 HA ALA 26 5.354 11.529 -4.685 1006 1HB ALA 26 1HB ALA 26 6.980 13.190 -5.584 1007 2HB ALA 26 2HB ALA 26 6.269 14.431 -4.552 1008 3HB ALA 26 3HB ALA 26 5.320 13.719 -5.857 1009 H SER 27 H SER 27 5.708 13.583 -1.898 1010 HA SER 27 HA SER 27 8.355 12.583 -1.118 1011 1HB SER 27 2HB SER 27 7.849 14.781 -0.401 1012 2HB SER 27 1HB SER 27 6.201 14.347 0.043 1013 HG SER 27 HG SER 27 6.895 13.724 1.929 1014 H PHE 28 H PHE 28 4.953 12.028 -0.346 1015 HA PHE 28 HA PHE 28 5.274 10.247 1.872 1016 1HB PHE 28 2HB PHE 28 3.069 10.752 1.684 1017 2HB PHE 28 1HB PHE 28 3.236 11.159 -0.016 1018 HD1 PHE 28 HD1 PHE 28 2.805 9.506 -1.763 1019 HD2 PHE 28 HD2 PHE 28 2.547 8.429 2.386 1020 HE1 PHE 28 HE1 PHE 28 1.560 7.471 -2.369 1021 HE2 PHE 28 HE2 PHE 28 1.308 6.392 1.774 1022 HZ PHE 28 HZ PHE 28 0.809 5.901 -0.600 1023 H GLU 29 H GLU 29 5.344 9.749 -1.629 1024 HA GLU 29 HA GLU 29 5.606 6.854 -1.433 1025 1HB GLU 29 2HB GLU 29 5.629 9.042 -3.474 1026 2HB GLU 29 1HB GLU 29 6.373 7.502 -3.919 1027 1HG GLU 29 2HG GLU 29 4.386 6.307 -3.565 1028 2HG GLU 29 1HG GLU 29 3.684 7.607 -2.616 1029 H LYS 30 H LYS 30 7.552 9.728 -1.711 1030 HA LYS 30 HA LYS 30 10.101 8.422 -2.075 1031 1HB LYS 30 2HB LYS 30 9.563 10.828 -2.570 1032 2HB LYS 30 1HB LYS 30 9.423 11.108 -0.832 1033 1HG LYS 30 2HG LYS 30 11.702 10.739 -0.450 1034 2HG LYS 30 1HG LYS 30 11.905 9.836 -1.952 1035 1HD LYS 30 2HD LYS 30 11.575 11.898 -3.254 1036 2HD LYS 30 1HD LYS 30 11.334 12.812 -1.764 1037 1HE LYS 30 2HE LYS 30 13.667 11.955 -1.059 1038 2HE LYS 30 1HE LYS 30 13.874 11.505 -2.764 1039 1HZ LYS 30 1HZ LYS 30 13.410 13.722 -3.441 1040 2HZ LYS 30 2HZ LYS 30 14.589 13.821 -2.221 1041 3HZ LYS 30 3HZ LYS 30 12.967 14.188 -1.871 1042 H ILE 31 H ILE 31 8.003 9.085 0.679 1043 HA ILE 31 HA ILE 31 10.179 8.282 2.541 1044 HB ILE 31 HB ILE 31 8.539 9.028 4.242 1045 1HG1 ILE 31 2HG1 ILE 31 6.895 10.661 2.648 1046 2HG1 ILE 31 1HG1 ILE 31 6.789 9.018 2.027 1047 1HG2 ILE 31 1HG2 ILE 31 8.700 11.493 3.526 1048 2HG2 ILE 31 2HG2 ILE 31 9.505 10.873 2.084 1049 3HG2 ILE 31 3HG2 ILE 31 10.209 10.593 3.677 1050 1HD1 ILE 31 1HD1 ILE 31 5.724 8.249 3.870 1051 2HD1 ILE 31 2HD1 ILE 31 5.386 9.950 4.195 1052 3HD1 ILE 31 3HD1 ILE 31 6.767 9.163 4.958 1053 H ILE 32 H ILE 32 7.096 7.282 1.256 1054 HA ILE 32 HA ILE 32 6.618 5.082 3.056 1055 HB ILE 32 HB ILE 32 5.874 5.592 0.140 1056 1HG1 ILE 32 2HG1 ILE 32 4.970 6.816 2.454 1057 2HG1 ILE 32 1HG1 ILE 32 4.070 6.707 0.944 1058 1HG2 ILE 32 1HG2 ILE 32 4.142 3.783 0.586 1059 2HG2 ILE 32 2HG2 ILE 32 5.034 3.390 2.055 1060 3HG2 ILE 32 3HG2 ILE 32 5.806 3.208 0.480 1061 1HD1 ILE 32 1HD1 ILE 32 3.933 4.591 3.093 1062 2HD1 ILE 32 2HD1 ILE 32 2.881 4.770 1.687 1063 3HD1 ILE 32 3HD1 ILE 32 2.807 5.945 3.001 1064 H THR 33 H THR 33 7.863 5.260 -0.244 1065 HA THR 33 HA THR 33 8.902 2.624 -0.304 1066 HB THR 33 HB THR 33 8.648 4.942 -1.972 1067 HG1 THR 33 HG1 THR 33 8.950 3.310 -3.585 1068 1HG2 THR 33 1HG2 THR 33 11.026 5.323 -1.670 1069 2HG2 THR 33 2HG2 THR 33 10.734 4.697 -3.293 1070 3HG2 THR 33 3HG2 THR 33 11.368 3.632 -2.037 1071 H GLU 34 H GLU 34 10.278 5.789 0.548 1072 HA GLU 34 HA GLU 34 12.977 4.789 0.913 1073 1HB GLU 34 2HB GLU 34 11.421 7.273 1.508 1074 2HB GLU 34 1HB GLU 34 13.047 7.095 2.156 1075 1HG GLU 34 2HG GLU 34 12.345 6.747 -0.781 1076 2HG GLU 34 1HG GLU 34 13.005 8.233 -0.095 1077 H THR 35 H THR 35 10.245 5.401 3.236 1078 HA THR 35 HA THR 35 11.816 5.018 5.599 1079 HB THR 35 HB THR 35 8.908 4.359 5.053 1080 HG1 THR 35 HG1 THR 35 8.643 6.413 5.364 1081 1HG2 THR 35 1HG2 THR 35 10.670 3.901 7.350 1082 2HG2 THR 35 2HG2 THR 35 9.048 3.280 7.047 1083 3HG2 THR 35 3HG2 THR 35 9.261 4.876 7.769 1084 H VAL 36 H VAL 36 9.806 2.609 3.841 1085 HA VAL 36 HA VAL 36 10.687 0.356 5.354 1086 HB VAL 36 HB VAL 36 9.680 0.904 2.573 1087 1HG1 VAL 36 1HG1 VAL 36 10.004 -1.248 1.764 1088 2HG1 VAL 36 2HG1 VAL 36 10.155 -1.940 3.372 1089 3HG1 VAL 36 3HG1 VAL 36 11.499 -1.042 2.672 1090 1HG2 VAL 36 1HG2 VAL 36 8.512 0.436 4.992 1091 2HG2 VAL 36 2HG2 VAL 36 8.513 -1.181 4.293 1092 3HG2 VAL 36 3HG2 VAL 36 7.730 0.146 3.439 1093 H ALA 37 H ALA 37 12.100 2.169 2.692 1094 HA ALA 37 HA ALA 37 14.514 0.477 2.595 1095 1HB ALA 37 1HB ALA 37 15.060 2.399 0.932 1096 2HB ALA 37 2HB ALA 37 13.372 2.838 1.154 1097 3HB ALA 37 3HB ALA 37 13.788 1.249 0.523 1098 H LYS 38 H LYS 38 13.411 2.717 4.702 1099 HA LYS 38 HA LYS 38 16.063 4.064 5.079 1100 1HB LYS 38 2HB LYS 38 13.667 5.235 4.925 1101 2HB LYS 38 1HB LYS 38 13.571 4.744 6.612 1102 1HG LYS 38 2HG LYS 38 14.506 6.948 6.612 1103 2HG LYS 38 1HG LYS 38 15.843 5.844 6.933 1104 1HD LYS 38 2HD LYS 38 16.547 7.477 5.265 1105 2HD LYS 38 1HD LYS 38 16.418 5.894 4.502 1106 1HE LYS 38 2HE LYS 38 15.378 7.677 3.101 1107 2HE LYS 38 1HE LYS 38 14.170 6.494 3.637 1108 1HZ LYS 38 1HZ LYS 38 14.793 8.877 5.271 1109 2HZ LYS 38 2HZ LYS 38 13.401 7.902 5.298 1110 3HZ LYS 38 3HZ LYS 38 13.669 8.970 4.005 1111 H GLY 39 H GLY 39 13.610 2.017 6.485 1112 1HA GLY 39 2HA GLY 39 14.713 0.215 7.874 1113 2HA GLY 39 1HA GLY 39 15.416 1.550 8.782 1114 H ASP 40 H ASP 40 12.085 1.463 7.557 1115 HA ASP 40 HA ASP 40 11.092 0.933 10.312 1116 1HB ASP 40 2HB ASP 40 11.377 3.520 9.092 1117 2HB ASP 40 1HB ASP 40 9.658 3.176 9.298 1118 H LYS 41 H LYS 41 8.592 0.930 10.240 1119 HA LYS 41 HA LYS 41 7.608 -0.132 7.625 1120 1HB LYS 41 2HB LYS 41 6.246 -1.694 9.157 1121 2HB LYS 41 1HB LYS 41 7.976 -2.018 9.052 1122 1HG LYS 41 2HG LYS 41 8.389 -1.280 11.200 1123 2HG LYS 41 1HG LYS 41 7.045 -0.139 11.182 1124 1HD LYS 41 2HD LYS 41 6.039 -2.832 10.897 1125 2HD LYS 41 1HD LYS 41 7.080 -2.732 12.317 1126 1HE LYS 41 2HE LYS 41 4.957 -2.094 13.155 1127 2HE LYS 41 1HE LYS 41 5.740 -0.534 12.834 1128 1HZ LYS 41 1HZ LYS 41 4.128 -1.978 10.805 1129 2HZ LYS 41 2HZ LYS 41 4.683 -0.373 10.743 1130 3HZ LYS 41 3HZ LYS 41 3.461 -0.810 11.840 1131 H VAL 42 H VAL 42 6.099 1.313 6.953 1132 HA VAL 42 HA VAL 42 4.559 2.865 8.985 1133 HB VAL 42 HB VAL 42 4.749 3.162 5.975 1134 1HG1 VAL 42 1HG1 VAL 42 3.999 5.260 7.994 1135 2HG1 VAL 42 2HG1 VAL 42 2.794 4.203 7.260 1136 3HG1 VAL 42 3HG1 VAL 42 3.756 5.280 6.249 1137 1HG2 VAL 42 1HG2 VAL 42 6.714 4.256 6.217 1138 2HG2 VAL 42 2HG2 VAL 42 6.797 3.530 7.820 1139 3HG2 VAL 42 3HG2 VAL 42 6.126 5.147 7.617 1140 H GLN 43 H GLN 43 2.424 2.435 9.367 1141 HA GLN 43 HA GLN 43 1.043 0.501 7.540 1142 1HB GLN 43 2HB GLN 43 -0.325 0.029 9.592 1143 2HB GLN 43 1HB GLN 43 1.390 -0.310 9.807 1144 1HG GLN 43 2HG GLN 43 1.529 1.178 11.488 1145 2HG GLN 43 1HG GLN 43 0.839 2.445 10.477 1146 1HE2 GLN 43 1HE2 GLN 43 -1.748 1.390 10.003 1147 2HE2 GLN 43 2HE2 GLN 43 -2.585 1.291 11.476 1148 H LEU 44 H LEU 44 -0.583 1.368 6.326 1149 HA LEU 44 HA LEU 44 -1.587 4.074 6.882 1150 1HB LEU 44 2HB LEU 44 -1.795 1.970 4.763 1151 2HB LEU 44 1HB LEU 44 -2.988 3.267 4.775 1152 HG LEU 44 HG LEU 44 0.005 3.722 4.830 1153 1HD1 LEU 44 1HD1 LEU 44 -0.684 4.645 2.424 1154 2HD1 LEU 44 2HD1 LEU 44 -1.940 3.423 2.573 1155 3HD1 LEU 44 3HD1 LEU 44 -0.243 2.956 2.654 1156 1HD2 LEU 44 1HD2 LEU 44 -0.808 5.716 5.590 1157 2HD2 LEU 44 2HD2 LEU 44 -2.428 5.404 4.969 1158 3HD2 LEU 44 3HD2 LEU 44 -1.165 5.989 3.886 1159 H THR 45 H THR 45 -2.963 4.049 8.669 1160 HA THR 45 HA THR 45 -4.703 3.304 10.109 1161 HB THR 45 HB THR 45 -6.025 4.729 8.882 1162 HG1 THR 45 HG1 THR 45 -7.572 3.348 9.351 1163 1HG2 THR 45 1HG2 THR 45 -6.461 4.506 6.457 1164 2HG2 THR 45 2HG2 THR 45 -5.494 3.038 6.425 1165 3HG2 THR 45 3HG2 THR 45 -4.736 4.581 6.803 1166 H GLY 46 H GLY 46 -6.182 1.587 7.414 1167 1HA GLY 46 2HA GLY 46 -5.272 -1.014 8.475 1168 2HA GLY 46 1HA GLY 46 -7.001 -0.685 8.572 1169 H PHE 47 H PHE 47 -5.301 0.689 5.860 1170 HA PHE 47 HA PHE 47 -6.482 -1.462 4.160 1171 1HB PHE 47 2HB PHE 47 -7.219 0.161 2.654 1172 2HB PHE 47 1HB PHE 47 -7.450 0.944 4.210 1173 HD1 PHE 47 HD1 PHE 47 -6.317 2.926 4.774 1174 HD2 PHE 47 HD2 PHE 47 -5.172 0.735 1.273 1175 HE1 PHE 47 HE1 PHE 47 -4.929 4.838 4.039 1176 HE2 PHE 47 HE2 PHE 47 -3.781 2.645 0.532 1177 HZ PHE 47 HZ PHE 47 -3.657 4.699 1.921 1178 H LEU 48 H LEU 48 -3.630 0.610 4.602 1179 HA LEU 48 HA LEU 48 -2.293 -1.106 2.584 1180 1HB LEU 48 2HB LEU 48 -2.615 1.677 2.833 1181 2HB LEU 48 1HB LEU 48 -0.923 1.325 3.167 1182 HG LEU 48 HG LEU 48 -1.835 1.691 0.714 1183 1HD1 LEU 48 1HD1 LEU 48 0.473 0.680 1.902 1184 2HD1 LEU 48 2HD1 LEU 48 0.313 1.132 0.206 1185 3HD1 LEU 48 3HD1 LEU 48 0.063 -0.542 0.699 1186 1HD2 LEU 48 1HD2 LEU 48 -2.554 -0.217 -0.428 1187 2HD2 LEU 48 2HD2 LEU 48 -3.335 -0.444 1.135 1188 3HD2 LEU 48 3HD2 LEU 48 -1.844 -1.310 0.759 1189 H ASN 49 H ASN 49 0.171 -0.958 2.954 1190 HA ASN 49 HA ASN 49 1.119 -0.845 5.698 1191 1HB ASN 49 2HB ASN 49 -0.001 -3.268 4.473 1192 2HB ASN 49 1HB ASN 49 1.661 -3.511 5.005 1193 1HD2 ASN 49 1HD2 ASN 49 -1.603 -3.275 6.092 1194 2HD2 ASN 49 2HD2 ASN 49 -1.280 -3.268 7.759 1195 H ILE 50 H ILE 50 3.411 -0.785 5.642 1196 HA ILE 50 HA ILE 50 4.788 -1.578 3.151 1197 HB ILE 50 HB ILE 50 5.815 0.582 2.847 1198 1HG1 ILE 50 2HG1 ILE 50 4.412 2.341 4.458 1199 2HG1 ILE 50 1HG1 ILE 50 4.821 1.008 5.541 1200 1HG2 ILE 50 1HG2 ILE 50 2.847 0.996 3.264 1201 2HG2 ILE 50 2HG2 ILE 50 3.525 0.119 1.892 1202 3HG2 ILE 50 3HG2 ILE 50 3.890 1.830 2.112 1203 1HD1 ILE 50 1HD1 ILE 50 6.537 3.035 4.901 1204 2HD1 ILE 50 2HD1 ILE 50 6.995 1.815 3.720 1205 3HD1 ILE 50 3HD1 ILE 50 7.052 1.441 5.439 1206 H LYS 51 H LYS 51 6.050 -3.090 4.128 1207 HA LYS 51 HA LYS 51 8.134 -2.136 6.009 1208 1HB LYS 51 2HB LYS 51 7.376 -3.376 7.780 1209 2HB LYS 51 1HB LYS 51 5.834 -3.323 6.933 1210 1HG LYS 51 2HG LYS 51 6.235 -5.481 5.921 1211 2HG LYS 51 1HG LYS 51 7.893 -5.512 6.522 1212 1HD LYS 51 2HD LYS 51 6.090 -5.066 8.725 1213 2HD LYS 51 1HD LYS 51 5.577 -6.492 7.823 1214 1HE LYS 51 2HE LYS 51 7.650 -7.594 8.152 1215 2HE LYS 51 1HE LYS 51 8.475 -6.087 8.597 1216 1HZ LYS 51 1HZ LYS 51 6.288 -7.406 10.120 1217 2HZ LYS 51 2HZ LYS 51 6.991 -5.912 10.520 1218 3HZ LYS 51 3HZ LYS 51 7.918 -7.333 10.581 1219 HA PRO 52 HA PRO 52 10.157 -5.023 3.234 1220 1HB PRO 52 2HB PRO 52 12.706 -4.287 3.826 1221 2HB PRO 52 1HB PRO 52 11.617 -3.261 2.874 1222 1HG PRO 52 2HG PRO 52 12.585 -2.903 5.609 1223 2HG PRO 52 1HG PRO 52 11.881 -1.728 4.501 1224 1HD PRO 52 2HD PRO 52 10.610 -3.112 6.684 1225 2HD PRO 52 1HD PRO 52 9.940 -1.845 5.630 1226 H VAL 53 H VAL 53 11.398 -6.961 3.366 1227 HA VAL 53 HA VAL 53 12.426 -7.737 6.041 1228 HB VAL 53 HB VAL 53 11.487 -10.008 5.702 1229 1HG1 VAL 53 1HG1 VAL 53 9.675 -7.601 5.826 1230 2HG1 VAL 53 2HG1 VAL 53 10.205 -8.649 7.141 1231 3HG1 VAL 53 3HG1 VAL 53 9.027 -9.235 5.967 1232 1HG2 VAL 53 1HG2 VAL 53 9.446 -9.291 3.794 1233 2HG2 VAL 53 2HG2 VAL 53 10.618 -10.607 3.712 1234 3HG2 VAL 53 3HG2 VAL 53 11.037 -9.015 3.088 1235 H ALA 54 H ALA 54 14.524 -7.990 5.745 1236 HA ALA 54 HA ALA 54 15.951 -8.251 3.357 1237 1HB ALA 54 1HB ALA 54 17.554 -9.515 5.172 1238 2HB ALA 54 2HB ALA 54 16.400 -8.732 6.243 1239 3HB ALA 54 3HB ALA 54 17.337 -7.766 5.109 1240 H ARG 55 H ARG 55 15.895 -9.845 1.840 1241 HA ARG 55 HA ARG 55 16.253 -12.650 2.592 1242 1HB ARG 55 2HB ARG 55 13.820 -12.211 2.969 1243 2HB ARG 55 1HB ARG 55 13.675 -11.714 1.283 1244 1HG ARG 55 2HG ARG 55 13.635 -13.853 0.548 1245 2HG ARG 55 1HG ARG 55 14.997 -14.310 1.571 1246 1HD ARG 55 2HD ARG 55 12.214 -13.897 2.699 1247 2HD ARG 55 1HD ARG 55 12.787 -15.474 2.121 1248 HE ARG 55 HE ARG 55 13.688 -14.131 4.546 1249 1HH1 ARG 55 1HH2 ARG 55 13.631 -17.062 3.084 1250 2HH1 ARG 55 2HH2 ARG 55 15.251 -17.531 3.478 1251 1HH2 ARG 55 2HH1 ARG 55 16.178 -14.379 4.586 1252 2HH2 ARG 55 1HH1 ARG 55 16.693 -16.012 4.329 1253 H GLN 56 H GLN 56 17.528 -13.478 0.959 1254 HA GLN 56 HA GLN 56 18.240 -12.020 -1.380 1255 1HB GLN 56 2HB GLN 56 18.308 -15.015 -0.909 1256 2HB GLN 56 1HB GLN 56 19.321 -14.109 -2.033 1257 1HG GLN 56 2HG GLN 56 19.835 -12.749 0.257 1258 2HG GLN 56 1HG GLN 56 19.526 -14.356 0.918 1259 1HE2 GLN 56 1HE2 GLN 56 21.929 -12.416 -0.522 1260 2HE2 GLN 56 2HE2 GLN 56 23.023 -13.650 -0.927 1261 H ALA 57 H ALA 57 17.972 -13.876 -3.510 1262 HA ALA 57 HA ALA 57 15.169 -14.618 -3.839 1263 1HB ALA 57 1HB ALA 57 14.387 -12.714 -4.779 1264 2HB ALA 57 2HB ALA 57 15.833 -12.521 -5.772 1265 3HB ALA 57 3HB ALA 57 15.823 -11.943 -4.106 1266 H ARG 58 H ARG 58 14.963 -14.416 -6.582 1267 HA ARG 58 HA ARG 58 16.408 -16.665 -7.548 1268 1HB ARG 58 2HB ARG 58 14.137 -15.355 -8.079 1269 2HB ARG 58 1HB ARG 58 15.159 -14.641 -9.326 1270 1HG ARG 58 2HG ARG 58 14.971 -16.446 -10.552 1271 2HG ARG 58 1HG ARG 58 15.642 -17.422 -9.249 1272 1HD ARG 58 2HD ARG 58 13.534 -18.028 -8.436 1273 2HD ARG 58 1HD ARG 58 12.757 -16.586 -9.118 1274 HE ARG 58 HE ARG 58 12.874 -17.619 -11.324 1275 1HH1 ARG 58 2HH1 ARG 58 12.485 -19.712 -8.798 1276 2HH1 ARG 58 1HH1 ARG 58 13.048 -21.129 -9.622 1277 1HH2 ARG 58 1HH2 ARG 58 14.249 -19.379 -12.363 1278 2HH2 ARG 58 2HH2 ARG 58 14.046 -20.940 -11.641 1279 H LYS 59 H LYS 59 18.123 -16.788 -8.891 1280 HA LYS 59 HA LYS 59 19.363 -15.503 -10.795 1281 1HB LYS 59 2HB LYS 59 19.379 -13.307 -10.137 1282 2HB LYS 59 1HB LYS 59 19.465 -13.701 -8.424 1283 1HG LYS 59 2HG LYS 59 21.795 -14.000 -8.484 1284 2HG LYS 59 1HG LYS 59 21.808 -14.248 -10.229 1285 1HD LYS 59 2HD LYS 59 22.352 -12.070 -10.434 1286 2HD LYS 59 1HD LYS 59 20.713 -11.693 -9.902 1287 1HE LYS 59 2HE LYS 59 22.164 -10.502 -8.405 1288 2HE LYS 59 1HE LYS 59 21.629 -11.928 -7.495 1289 1HZ LYS 59 1HZ LYS 59 24.210 -11.453 -8.839 1290 2HZ LYS 59 2HZ LYS 59 23.653 -13.044 -8.618 1291 3HZ LYS 59 3HZ LYS 59 23.915 -12.037 -7.275 1292 H GLY 60 H GLY 60 21.092 -16.740 -11.243 1293 1HA GLY 60 2HA GLY 60 23.273 -17.666 -10.764 1294 2HA GLY 60 1HA GLY 60 22.918 -17.536 -9.040 1295 H PHE 61 H PHE 61 21.780 -19.225 -11.956 1296 HA PHE 61 HA PHE 61 20.147 -21.182 -11.388 1297 1HB PHE 61 2HB PHE 61 21.134 -22.298 -13.105 1298 2HB PHE 61 1HB PHE 61 22.181 -20.893 -13.163 1299 HD1 PHE 61 HD1 PHE 61 22.293 -24.276 -13.461 1300 HD2 PHE 61 HD2 PHE 61 24.105 -21.202 -11.066 1301 HE1 PHE 61 HE1 PHE 61 24.276 -25.683 -13.126 1302 HE2 PHE 61 HE2 PHE 61 26.080 -22.635 -10.724 1303 HZ PHE 61 HZ PHE 61 26.172 -24.888 -11.749 1304 H ASN 62 H ASN 62 19.825 -22.956 -10.055 1305 HA ASN 62 HA ASN 62 21.003 -23.166 -7.518 1306 1HB ASN 62 2HB ASN 62 19.267 -24.690 -9.282 1307 2HB ASN 62 1HB ASN 62 20.299 -25.777 -8.353 1308 1HD2 ASN 62 1HD2 ASN 62 18.538 -26.479 -6.957 1309 2HD2 ASN 62 2HD2 ASN 62 17.857 -25.445 -5.796 1310 HA PRO 63 HA PRO 63 24.917 -25.069 -8.143 1311 1HB PRO 63 2HB PRO 63 24.997 -27.085 -6.283 1312 2HB PRO 63 1HB PRO 63 25.139 -25.368 -5.853 1313 1HG PRO 63 2HG PRO 63 22.766 -27.165 -5.699 1314 2HG PRO 63 1HG PRO 63 23.318 -25.928 -4.559 1315 1HD PRO 63 2HD PRO 63 21.284 -25.510 -6.301 1316 2HD PRO 63 1HD PRO 63 22.365 -24.208 -5.754 1317 H GLN 64 H GLN 64 23.482 -25.864 -10.213 1318 HA GLN 64 HA GLN 64 23.724 -28.812 -10.290 1319 1HB GLN 64 2HB GLN 64 21.399 -27.692 -10.143 1320 2HB GLN 64 1HB GLN 64 21.689 -27.220 -11.816 1321 1HG GLN 64 2HG GLN 64 20.556 -29.280 -12.015 1322 2HG GLN 64 1HG GLN 64 22.253 -29.725 -12.200 1323 1HE2 GLN 64 1HE2 GLN 64 22.665 -31.610 -11.046 1324 2HE2 GLN 64 2HE2 GLN 64 22.025 -31.980 -9.518 1325 H THR 65 H THR 65 22.644 -27.879 -13.196 1326 HA THR 65 HA THR 65 25.253 -27.031 -14.317 1327 HB THR 65 HB THR 65 25.237 -28.979 -15.854 1328 HG1 THR 65 HG1 THR 65 23.723 -30.680 -15.219 1329 1HG2 THR 65 1HG2 THR 65 26.333 -29.024 -13.543 1330 2HG2 THR 65 2HG2 THR 65 25.994 -30.594 -14.274 1331 3HG2 THR 65 3HG2 THR 65 24.937 -29.961 -13.012 1332 H GLN 66 H GLN 66 22.072 -26.424 -14.160 1333 HA GLN 66 HA GLN 66 22.001 -24.954 -16.631 1334 1HB GLN 66 2HB GLN 66 20.731 -26.366 -18.007 1335 2HB GLN 66 1HB GLN 66 21.792 -27.509 -17.192 1336 1HG GLN 66 2HG GLN 66 18.918 -26.872 -16.457 1337 2HG GLN 66 1HG GLN 66 19.515 -28.374 -17.155 1338 1HE2 GLN 66 1HE2 GLN 66 21.809 -28.868 -15.581 1339 2HE2 GLN 66 2HE2 GLN 66 21.345 -29.079 -13.962 1340 H GLU 67 H GLU 67 20.386 -26.091 -13.740 1341 HA GLU 67 HA GLU 67 17.816 -24.873 -14.162 1342 1HB GLU 67 2HB GLU 67 18.737 -26.595 -12.407 1343 2HB GLU 67 1HB GLU 67 19.162 -25.155 -11.483 1344 1HG GLU 67 2HG GLU 67 16.925 -24.480 -11.259 1345 2HG GLU 67 1HG GLU 67 16.393 -25.466 -12.622 1346 H ALA 68 H ALA 68 18.681 -22.812 -15.153 1347 HA ALA 68 HA ALA 68 20.113 -20.866 -13.580 1348 1HB ALA 68 1HB ALA 68 18.842 -19.443 -15.483 1349 2HB ALA 68 2HB ALA 68 18.651 -21.068 -16.142 1350 3HB ALA 68 3HB ALA 68 20.264 -20.435 -15.814 1351 H LEU 69 H LEU 69 19.145 -18.708 -13.016 1352 HA LEU 69 HA LEU 69 16.356 -19.015 -11.967 1353 1HB LEU 69 2HB LEU 69 18.819 -17.749 -10.732 1354 2HB LEU 69 1HB LEU 69 17.208 -17.703 -10.020 1355 HG LEU 69 HG LEU 69 18.666 -20.256 -10.723 1356 1HD1 LEU 69 1HD1 LEU 69 19.039 -20.487 -8.300 1357 2HD1 LEU 69 2HD1 LEU 69 18.288 -18.914 -8.029 1358 3HD1 LEU 69 3HD1 LEU 69 19.812 -19.023 -8.908 1359 1HD2 LEU 69 1HD2 LEU 69 15.997 -19.547 -9.599 1360 2HD2 LEU 69 2HD2 LEU 69 16.818 -20.938 -8.890 1361 3HD2 LEU 69 3HD2 LEU 69 16.460 -20.911 -10.618 1362 H GLU 70 H GLU 70 16.816 -16.103 -10.917 1363 HA GLU 70 HA GLU 70 17.066 -14.509 -13.315 1364 1HB GLU 70 2HB GLU 70 14.818 -15.876 -13.321 1365 2HB GLU 70 1HB GLU 70 14.284 -14.653 -12.170 1366 1HG GLU 70 2HG GLU 70 14.247 -12.991 -13.749 1367 2HG GLU 70 1HG GLU 70 15.641 -13.642 -14.613 1368 H ILE 71 H ILE 71 14.761 -12.901 -11.863 1369 HA ILE 71 HA ILE 71 15.486 -10.651 -10.984 1370 HB ILE 71 HB ILE 71 13.877 -10.781 -9.319 1371 1HG1 ILE 71 2HG1 ILE 71 13.896 -13.528 -8.492 1372 2HG1 ILE 71 1HG1 ILE 71 15.482 -12.817 -8.215 1373 1HG2 ILE 71 1HG2 ILE 71 12.220 -12.335 -10.027 1374 2HG2 ILE 71 2HG2 ILE 71 13.441 -13.466 -10.606 1375 3HG2 ILE 71 3HG2 ILE 71 13.169 -11.948 -11.463 1376 1HD1 ILE 71 1HD1 ILE 71 14.670 -11.300 -6.693 1377 2HD1 ILE 71 2HD1 ILE 71 13.483 -12.585 -6.460 1378 3HD1 ILE 71 3HD1 ILE 71 13.097 -11.201 -7.482 1379 H ALA 72 H ALA 72 15.808 -10.504 -8.052 1380 HA ALA 72 HA ALA 72 18.543 -11.569 -7.615 1381 1HB ALA 72 1HB ALA 72 17.769 -8.767 -8.256 1382 2HB ALA 72 2HB ALA 72 19.228 -9.657 -8.690 1383 3HB ALA 72 3HB ALA 72 19.045 -9.004 -7.061 1384 HA PRO 73 HA PRO 73 17.633 -11.356 -3.332 1385 1HB PRO 73 2HB PRO 73 20.076 -10.637 -2.319 1386 2HB PRO 73 1HB PRO 73 19.732 -12.257 -2.959 1387 1HG PRO 73 2HG PRO 73 21.125 -9.967 -4.259 1388 2HG PRO 73 1HG PRO 73 21.511 -11.695 -4.304 1389 1HD PRO 73 2HD PRO 73 20.244 -10.422 -6.340 1390 2HD PRO 73 1HD PRO 73 19.964 -12.135 -5.954 1391 H SER 74 H SER 74 16.609 -9.778 -2.223 1392 HA SER 74 HA SER 74 17.694 -7.121 -1.750 1393 1HB SER 74 2HB SER 74 15.366 -7.589 -3.641 1394 2HB SER 74 1HB SER 74 15.775 -6.017 -2.964 1395 HG SER 74 HG SER 74 16.938 -7.418 -4.998 1396 H VAL 75 H VAL 75 16.135 -5.933 -0.257 1397 HA VAL 75 HA VAL 75 15.049 -7.582 1.742 1398 HB VAL 75 HB VAL 75 15.307 -4.855 1.210 1399 1HG1 VAL 75 1HG1 VAL 75 13.091 -3.900 1.726 1400 2HG1 VAL 75 2HG1 VAL 75 12.387 -5.515 1.735 1401 3HG1 VAL 75 3HG1 VAL 75 13.020 -4.837 0.235 1402 1HG2 VAL 75 1HG2 VAL 75 13.853 -6.083 3.561 1403 2HG2 VAL 75 2HG2 VAL 75 14.798 -4.595 3.548 1404 3HG2 VAL 75 3HG2 VAL 75 15.602 -6.154 3.357 1405 H GLY 76 H GLY 76 12.623 -7.746 2.275 1406 1HA GLY 76 2HA GLY 76 11.152 -8.320 -0.275 1407 2HA GLY 76 1HA GLY 76 10.989 -9.312 1.173 1408 H VAL 77 H VAL 77 9.912 -6.446 -0.434 1409 HA VAL 77 HA VAL 77 8.740 -5.082 1.775 1410 HB VAL 77 HB VAL 77 8.433 -5.197 -1.199 1411 1HG1 VAL 77 1HG1 VAL 77 6.102 -5.155 -0.711 1412 2HG1 VAL 77 2HG1 VAL 77 6.549 -3.477 -1.003 1413 3HG1 VAL 77 3HG1 VAL 77 6.328 -4.057 0.648 1414 1HG2 VAL 77 1HG2 VAL 77 10.034 -3.677 -0.132 1415 2HG2 VAL 77 2HG2 VAL 77 8.745 -2.974 0.840 1416 3HG2 VAL 77 3HG2 VAL 77 8.754 -2.742 -0.906 1417 H SER 78 H SER 78 7.904 -6.736 3.078 1418 HA SER 78 HA SER 78 6.183 -8.873 2.439 1419 1HB SER 78 2HB SER 78 5.768 -7.506 5.029 1420 2HB SER 78 1HB SER 78 6.233 -9.171 4.697 1421 HG SER 78 HG SER 78 7.782 -6.917 5.090 1422 H VAL 79 H VAL 79 5.291 -5.648 3.590 1423 HA VAL 79 HA VAL 79 2.597 -5.831 4.015 1424 HB VAL 79 HB VAL 79 2.563 -3.487 3.341 1425 1HG1 VAL 79 1HG1 VAL 79 5.042 -4.341 4.853 1426 2HG1 VAL 79 2HG1 VAL 79 3.418 -4.387 5.525 1427 3HG1 VAL 79 3HG1 VAL 79 4.136 -2.853 5.072 1428 1HG2 VAL 79 1HG2 VAL 79 4.590 -4.350 1.589 1429 2HG2 VAL 79 2HG2 VAL 79 5.420 -3.346 2.771 1430 3HG2 VAL 79 3HG2 VAL 79 4.075 -2.685 1.845 1431 H LYS 80 H LYS 80 0.887 -4.679 2.745 1432 HA LYS 80 HA LYS 80 0.738 -4.643 -0.100 1433 1HB LYS 80 2HB LYS 80 -0.278 -6.757 -0.528 1434 2HB LYS 80 1HB LYS 80 1.025 -7.140 0.581 1435 1HG LYS 80 2HG LYS 80 -1.831 -6.643 1.465 1436 2HG LYS 80 1HG LYS 80 -1.156 -8.243 1.166 1437 1HD LYS 80 2HD LYS 80 0.755 -7.256 2.799 1438 2HD LYS 80 1HD LYS 80 -0.642 -6.366 3.408 1439 1HE LYS 80 2HE LYS 80 -1.745 -8.305 4.102 1440 2HE LYS 80 1HE LYS 80 -0.882 -9.330 2.938 1441 1HZ LYS 80 1HZ LYS 80 -0.045 -9.534 5.255 1442 2HZ LYS 80 2HZ LYS 80 0.433 -7.906 5.187 1443 3HZ LYS 80 3HZ LYS 80 1.139 -9.045 4.144 1444 HA PRO 81 HA PRO 81 -3.135 -2.755 0.938 1445 1HB PRO 81 2HB PRO 81 -4.983 -3.824 -0.781 1446 2HB PRO 81 1HB PRO 81 -3.737 -2.666 -1.289 1447 1HG PRO 81 2HG PRO 81 -3.788 -5.632 -1.568 1448 2HG PRO 81 1HG PRO 81 -3.229 -4.401 -2.712 1449 1HD PRO 81 2HD PRO 81 -1.539 -5.863 -1.181 1450 2HD PRO 81 1HD PRO 81 -1.172 -4.206 -1.704 1451 H GLY 82 H GLY 82 -4.492 -3.075 2.639 1452 1HA GLY 82 2HA GLY 82 -5.001 -5.782 3.636 1453 2HA GLY 82 1HA GLY 82 -5.473 -4.279 4.427 1454 H GLU 83 H GLU 83 -7.568 -5.299 4.806 1455 HA GLU 83 HA GLU 83 -9.265 -5.962 2.503 1456 1HB GLU 83 2HB GLU 83 -10.928 -6.400 4.276 1457 2HB GLU 83 1HB GLU 83 -9.386 -7.166 4.655 1458 1HG GLU 83 2HG GLU 83 -8.818 -5.410 6.215 1459 2HG GLU 83 1HG GLU 83 -10.202 -4.443 5.706 1460 H SER 84 H SER 84 -8.614 -3.134 4.457 1461 HA SER 84 HA SER 84 -11.077 -1.740 4.224 1462 1HB SER 84 2HB SER 84 -8.236 -1.147 4.680 1463 2HB SER 84 1HB SER 84 -9.128 0.194 3.969 1464 HG SER 84 HG SER 84 -9.594 -1.193 6.386 1465 H LEU 85 H LEU 85 -8.310 -1.863 1.965 1466 HA LEU 85 HA LEU 85 -9.411 -0.155 -0.065 1467 1HB LEU 85 2HB LEU 85 -7.361 -2.337 0.155 1468 2HB LEU 85 1HB LEU 85 -7.855 -1.834 -1.460 1469 HG LEU 85 HG LEU 85 -6.905 0.086 0.681 1470 1HD1 LEU 85 1HD1 LEU 85 -5.448 -1.405 -1.500 1471 2HD1 LEU 85 2HD1 LEU 85 -4.988 -1.204 0.190 1472 3HD1 LEU 85 3HD1 LEU 85 -4.861 0.156 -0.926 1473 1HD2 LEU 85 1HD2 LEU 85 -7.236 1.738 -0.863 1474 2HD2 LEU 85 2HD2 LEU 85 -8.372 0.590 -1.572 1475 3HD2 LEU 85 3HD2 LEU 85 -6.731 0.715 -2.208 1476 H LYS 86 H LYS 86 -9.808 -3.550 0.736 1477 HA LYS 86 HA LYS 86 -11.350 -4.168 -1.667 1478 1HB LYS 86 2HB LYS 86 -9.850 -5.536 0.225 1479 2HB LYS 86 1HB LYS 86 -11.506 -5.974 0.642 1480 1HG LYS 86 2HG LYS 86 -11.894 -7.012 -1.407 1481 2HG LYS 86 1HG LYS 86 -10.652 -6.071 -2.234 1482 1HD LYS 86 2HD LYS 86 -8.955 -7.466 -1.568 1483 2HD LYS 86 1HD LYS 86 -9.726 -7.836 -0.026 1484 1HE LYS 86 2HE LYS 86 -10.254 -9.840 -0.979 1485 2HE LYS 86 1HE LYS 86 -11.483 -8.933 -1.882 1486 1HZ LYS 86 1HZ LYS 86 -9.669 -8.353 -3.485 1487 2HZ LYS 86 2HZ LYS 86 -10.110 -9.995 -3.480 1488 3HZ LYS 86 3HZ LYS 86 -8.685 -9.491 -2.702 1489 H LYS 87 H LYS 87 -11.946 -3.307 1.659 1490 HA LYS 87 HA LYS 87 -14.767 -3.935 1.590 1491 1HB LYS 87 2HB LYS 87 -13.597 -3.897 3.702 1492 2HB LYS 87 1HB LYS 87 -12.937 -2.295 3.373 1493 1HG LYS 87 2HG LYS 87 -15.873 -2.365 3.270 1494 2HG LYS 87 1HG LYS 87 -15.226 -2.814 4.849 1495 1HD LYS 87 2HD LYS 87 -13.919 -0.759 4.948 1496 2HD LYS 87 1HD LYS 87 -14.430 -0.321 3.318 1497 1HE LYS 87 2HE LYS 87 -16.854 -0.494 4.261 1498 2HE LYS 87 1HE LYS 87 -16.071 -0.373 5.850 1499 1HZ LYS 87 1HZ LYS 87 -14.862 1.585 5.021 1500 2HZ LYS 87 2HZ LYS 87 -16.543 1.830 5.034 1501 3HZ LYS 87 3HZ LYS 87 -15.740 1.507 3.572 1502 H ALA 88 H ALA 88 -12.706 -1.113 1.061 1503 HA ALA 88 HA ALA 88 -14.860 0.767 0.592 1504 1HB ALA 88 1HB ALA 88 -13.081 2.190 0.148 1505 2HB ALA 88 2HB ALA 88 -12.225 0.976 -0.802 1506 3HB ALA 88 3HB ALA 88 -12.180 0.909 0.960 1507 H ALA 89 H ALA 89 -13.035 -1.578 -1.297 1508 HA ALA 89 HA ALA 89 -13.835 -0.882 -3.922 1509 1HB ALA 89 1HB ALA 89 -12.840 -3.201 -2.425 1510 2HB ALA 89 2HB ALA 89 -12.381 -2.635 -4.025 1511 3HB ALA 89 3HB ALA 89 -13.802 -3.660 -3.825 1512 H GLU 90 H GLU 90 -15.520 -2.938 -1.542 1513 HA GLU 90 HA GLU 90 -17.804 -3.537 -3.151 1514 1HB GLU 90 2HB GLU 90 -18.526 -4.468 -1.174 1515 2HB GLU 90 1HB GLU 90 -16.911 -4.069 -0.593 1516 1HG GLU 90 2HG GLU 90 -17.841 -1.812 0.114 1517 2HG GLU 90 1HG GLU 90 -19.446 -2.447 -0.246 1518 H GLY 91 H GLY 91 -16.736 -0.721 -1.390 1519 1HA GLY 91 2HA GLY 91 -19.159 0.800 -1.413 1520 2HA GLY 91 1HA GLY 91 -17.539 1.469 -1.268 1521 H LEU 92 H LEU 92 -16.594 0.432 -3.942 1522 HA LEU 92 HA LEU 92 -17.581 2.636 -5.554 1523 1HB LEU 92 2HB LEU 92 -16.015 1.833 -7.158 1524 2HB LEU 92 1HB LEU 92 -15.311 1.427 -5.607 1525 HG LEU 92 HG LEU 92 -16.820 -0.805 -6.107 1526 1HD1 LEU 92 1HD1 LEU 92 -16.286 0.562 -8.650 1527 2HD1 LEU 92 2HD1 LEU 92 -17.382 -0.777 -8.304 1528 3HD1 LEU 92 3HD1 LEU 92 -15.675 -1.093 -8.612 1529 1HD2 LEU 92 1HD2 LEU 92 -14.207 -1.108 -7.301 1530 2HD2 LEU 92 2HD2 LEU 92 -14.775 -1.683 -5.737 1531 3HD2 LEU 92 3HD2 LEU 92 -14.091 -0.070 -5.882 1532 H LYS 93 H LYS 93 -19.511 0.363 -4.650 1533 HA LYS 93 HA LYS 93 -21.385 -0.725 -5.627 1534 1HB LYS 93 2HB LYS 93 -20.683 1.028 -8.019 1535 2HB LYS 93 1HB LYS 93 -22.257 0.334 -7.645 1536 1HG LYS 93 2HG LYS 93 -22.758 2.197 -6.492 1537 2HG LYS 93 1HG LYS 93 -21.480 1.790 -5.346 1538 1HD LYS 93 2HD LYS 93 -19.926 2.840 -7.227 1539 2HD LYS 93 1HD LYS 93 -21.415 3.678 -7.669 1540 1HE LYS 93 2HE LYS 93 -21.607 4.676 -5.489 1541 2HE LYS 93 1HE LYS 93 -20.320 3.641 -4.837 1542 1HZ LYS 93 1HZ LYS 93 -19.993 5.584 -7.062 1543 2HZ LYS 93 2HZ LYS 93 -18.771 4.606 -6.402 1544 3HZ LYS 93 3HZ LYS 93 -19.475 5.837 -5.467 1545 H TYR 94 H TYR 94 -18.909 -1.891 -5.620 1546 HA TYR 94 HA TYR 94 -17.527 -2.784 -7.743 1547 1HB TYR 94 2HB TYR 94 -16.949 -3.773 -5.751 1548 2HB TYR 94 1HB TYR 94 -18.626 -4.058 -5.288 1549 HD1 TYR 94 HD1 TYR 94 -16.760 -4.944 -8.382 1550 HD2 TYR 94 HD2 TYR 94 -18.853 -6.328 -4.915 1551 HE1 TYR 94 HE1 TYR 94 -16.654 -7.271 -9.261 1552 HE2 TYR 94 HE2 TYR 94 -18.749 -8.667 -5.791 1553 HH TYR 94 HH TYR 94 -17.930 -9.401 -8.979 1554 H GLU 95 H GLU 95 -20.816 -3.956 -6.964 1555 HA GLU 95 HA GLU 95 -21.086 -5.952 -8.935 1556 1HB GLU 95 2HB GLU 95 -23.510 -5.424 -8.763 1557 2HB GLU 95 1HB GLU 95 -22.733 -5.472 -7.182 1558 1HG GLU 95 2HG GLU 95 -22.434 -2.944 -7.398 1559 2HG GLU 95 1HG GLU 95 -23.524 -3.029 -8.783 1560 H ASP 96 H ASP 96 -21.524 -2.440 -9.225 1561 HA ASP 96 HA ASP 96 -22.341 -2.427 -11.988 1562 1HB ASP 96 2HB ASP 96 -21.505 -0.563 -9.875 1563 2HB ASP 96 1HB ASP 96 -20.997 -0.042 -11.481 1564 H PHE 97 H PHE 97 -19.248 -2.580 -10.312 1565 HA PHE 97 HA PHE 97 -17.676 -2.196 -12.781 1566 1HB PHE 97 2HB PHE 97 -17.320 -2.022 -9.964 1567 2HB PHE 97 1HB PHE 97 -16.231 -3.289 -10.530 1568 HD1 PHE 97 HD1 PHE 97 -14.083 -2.533 -10.988 1569 HD2 PHE 97 HD2 PHE 97 -17.428 0.019 -11.855 1570 HE1 PHE 97 HE1 PHE 97 -12.537 -0.808 -11.875 1571 HE2 PHE 97 HE2 PHE 97 -15.883 1.744 -12.742 1572 HZ PHE 97 HZ PHE 97 -13.438 1.331 -12.752 1573 H ALA 98 H ALA 98 -19.221 -4.772 -11.083 1574 HA ALA 98 HA ALA 98 -17.474 -6.944 -11.893 1575 1HB ALA 98 1HB ALA 98 -19.927 -8.045 -11.379 1576 2HB ALA 98 2HB ALA 98 -20.078 -6.493 -10.556 1577 3HB ALA 98 3HB ALA 98 -18.774 -7.598 -10.122 1578 H LYS 99 H LYS 99 -20.459 -5.510 -13.169 1579 HA LYS 99 HA LYS 99 -20.642 -7.432 -15.381 1580 1HB LYS 99 2HB LYS 99 -22.267 -5.509 -14.033 1581 2HB LYS 99 1HB LYS 99 -22.219 -5.052 -15.735 1582 1HG LYS 99 2HG LYS 99 -23.726 -6.668 -16.162 1583 2HG LYS 99 1HG LYS 99 -22.517 -7.865 -15.697 1584 1HD LYS 99 2HD LYS 99 -24.356 -6.451 -13.745 1585 2HD LYS 99 1HD LYS 99 -24.645 -8.066 -14.394 1586 1HE LYS 99 2HE LYS 99 -22.005 -7.449 -13.077 1587 2HE LYS 99 1HE LYS 99 -23.421 -7.854 -12.086 1588 1HZ LYS 99 1HZ LYS 99 -23.769 -9.785 -13.606 1589 2HZ LYS 99 2HZ LYS 99 -22.366 -9.892 -12.653 1590 3HZ LYS 99 3HZ LYS 99 -22.252 -9.459 -14.292 Start of MODEL 20 1 1H MET 1 1H MET 1 4.813 2.593 10.486 2 2H MET 1 2H MET 1 4.626 3.096 12.099 3 3H MET 1 3H MET 1 6.038 3.492 11.240 4 HA MET 1 HA MET 1 4.588 5.424 11.380 5 1HB MET 1 2HB MET 1 5.645 4.079 9.057 6 2HB MET 1 1HB MET 1 4.221 5.009 8.593 7 1HG MET 1 2HG MET 1 5.163 7.039 9.266 8 2HG MET 1 1HG MET 1 6.306 6.259 10.360 9 1HE MET 1 1HE MET 1 6.040 6.653 5.975 10 2HE MET 1 2HE MET 1 6.668 8.117 6.729 11 3HE MET 1 3HE MET 1 5.161 7.411 7.309 12 H ASN 2 H ASN 2 2.623 6.226 9.764 13 HA ASN 2 HA ASN 2 0.446 4.545 9.169 14 1HB ASN 2 2HB ASN 2 -0.941 5.170 11.293 15 2HB ASN 2 1HB ASN 2 0.220 3.851 11.409 16 1HD2 ASN 2 1HD2 ASN 2 1.334 4.010 13.356 17 2HD2 ASN 2 2HD2 ASN 2 1.871 5.457 14.061 18 H LYS 3 H LYS 3 -1.706 5.834 9.171 19 HA LYS 3 HA LYS 3 -1.577 8.112 7.610 20 1HB LYS 3 2HB LYS 3 -3.511 7.090 9.671 21 2HB LYS 3 1HB LYS 3 -3.833 8.638 8.888 22 1HG LYS 3 2HG LYS 3 -3.063 6.356 7.129 23 2HG LYS 3 1HG LYS 3 -4.677 6.318 7.832 24 1HD LYS 3 2HD LYS 3 -4.166 8.971 6.880 25 2HD LYS 3 1HD LYS 3 -3.760 7.840 5.598 26 1HE LYS 3 2HE LYS 3 -6.216 8.646 5.664 27 2HE LYS 3 1HE LYS 3 -5.979 6.893 5.595 28 1HZ LYS 3 1HZ LYS 3 -7.380 8.220 7.516 29 2HZ LYS 3 2HZ LYS 3 -5.891 7.934 8.278 30 3HZ LYS 3 3HZ LYS 3 -6.789 6.639 7.651 31 H THR 4 H THR 4 -0.993 7.921 11.068 32 HA THR 4 HA THR 4 -1.043 10.859 11.442 33 HB THR 4 HB THR 4 -0.435 8.429 13.146 34 HG1 THR 4 HG1 THR 4 -2.405 10.465 13.246 35 1HG2 THR 4 1HG2 THR 4 1.077 10.050 14.013 36 2HG2 THR 4 2HG2 THR 4 -0.344 10.140 15.053 37 3HG2 THR 4 3HG2 THR 4 -0.087 11.358 13.803 38 H GLU 5 H GLU 5 1.400 8.264 11.766 39 HA GLU 5 HA GLU 5 3.658 10.001 11.933 40 1HB GLU 5 2HB GLU 5 3.149 7.139 11.179 41 2HB GLU 5 1HB GLU 5 4.765 7.807 10.963 42 1HG GLU 5 2HG GLU 5 3.835 8.618 13.535 43 2HG GLU 5 1HG GLU 5 3.530 6.888 13.380 44 H LEU 6 H LEU 6 2.198 8.302 9.135 45 HA LEU 6 HA LEU 6 3.893 9.390 7.111 46 1HB LEU 6 2HB LEU 6 1.152 8.228 7.327 47 2HB LEU 6 1HB LEU 6 1.508 9.128 5.855 48 HG LEU 6 HG LEU 6 3.269 6.914 6.933 49 1HD1 LEU 6 1HD1 LEU 6 1.496 5.619 6.267 50 2HD1 LEU 6 2HD1 LEU 6 2.184 5.900 4.669 51 3HD1 LEU 6 3HD1 LEU 6 0.831 6.881 5.231 52 1HD2 LEU 6 1HD2 LEU 6 4.487 8.417 5.497 53 2HD2 LEU 6 2HD2 LEU 6 3.158 8.483 4.341 54 3HD2 LEU 6 3HD2 LEU 6 4.093 6.999 4.527 55 H ILE 7 H ILE 7 1.083 10.711 8.810 56 HA ILE 7 HA ILE 7 0.533 12.977 7.189 57 HB ILE 7 HB ILE 7 -0.051 11.957 9.828 58 1HG1 ILE 7 2HG1 ILE 7 -1.288 14.009 7.991 59 2HG1 ILE 7 1HG1 ILE 7 -1.797 12.342 8.255 60 1HG2 ILE 7 1HG2 ILE 7 0.645 14.903 9.697 61 2HG2 ILE 7 2HG2 ILE 7 1.304 13.697 10.802 62 3HG2 ILE 7 3HG2 ILE 7 -0.372 14.205 10.956 63 1HD1 ILE 7 1HD1 ILE 7 -3.319 13.772 9.481 64 2HD1 ILE 7 2HD1 ILE 7 -1.979 14.637 10.229 65 3HD1 ILE 7 3HD1 ILE 7 -2.290 12.955 10.656 66 H LYS 8 H LYS 8 2.706 12.689 9.991 67 HA LYS 8 HA LYS 8 3.973 15.242 9.599 68 1HB LYS 8 2HB LYS 8 4.971 14.680 11.586 69 2HB LYS 8 1HB LYS 8 3.801 13.366 11.587 70 1HG LYS 8 2HG LYS 8 5.630 12.093 10.196 71 2HG LYS 8 1HG LYS 8 6.724 13.294 10.880 72 1HD LYS 8 2HD LYS 8 6.640 12.356 12.941 73 2HD LYS 8 1HD LYS 8 4.895 12.113 12.855 74 1HE LYS 8 2HE LYS 8 5.474 9.893 12.709 75 2HE LYS 8 1HE LYS 8 5.775 10.283 11.004 76 1HZ LYS 8 1HZ LYS 8 8.044 10.971 11.661 77 2HZ LYS 8 2HZ LYS 8 7.755 9.317 11.921 78 3HZ LYS 8 3HZ LYS 8 7.743 10.402 13.230 79 H ALA 9 H ALA 9 4.502 12.002 8.330 80 HA ALA 9 HA ALA 9 7.189 12.263 7.409 81 1HB ALA 9 1HB ALA 9 4.899 10.901 5.983 82 2HB ALA 9 2HB ALA 9 5.594 10.260 7.471 83 3HB ALA 9 3HB ALA 9 6.590 10.407 6.025 84 H ILE 10 H ILE 10 4.099 13.390 6.127 85 HA ILE 10 HA ILE 10 5.428 14.526 3.745 86 HB ILE 10 HB ILE 10 2.906 13.357 4.418 87 1HG1 ILE 10 2HG1 ILE 10 2.456 13.966 1.936 88 2HG1 ILE 10 1HG1 ILE 10 4.100 14.605 1.960 89 1HG2 ILE 10 1HG2 ILE 10 2.629 16.248 3.546 90 2HG2 ILE 10 2HG2 ILE 10 2.153 15.601 5.115 91 3HG2 ILE 10 3HG2 ILE 10 1.317 15.077 3.656 92 1HD1 ILE 10 1HD1 ILE 10 4.024 12.000 3.221 93 2HD1 ILE 10 2HD1 ILE 10 4.974 12.533 1.833 94 3HD1 ILE 10 3HD1 ILE 10 3.338 11.917 1.598 95 H ALA 11 H ALA 11 3.718 15.317 6.732 96 HA ALA 11 HA ALA 11 3.558 18.168 6.406 97 1HB ALA 11 1HB ALA 11 4.152 17.045 9.078 98 2HB ALA 11 2HB ALA 11 2.795 16.303 8.235 99 3HB ALA 11 3HB ALA 11 2.791 18.034 8.554 100 H GLN 12 H GLN 12 6.193 16.003 7.214 101 HA GLN 12 HA GLN 12 7.933 18.284 7.955 102 1HB GLN 12 2HB GLN 12 9.464 16.554 8.689 103 2HB GLN 12 1HB GLN 12 7.855 16.051 9.198 104 1HG GLN 12 2HG GLN 12 8.636 14.087 8.240 105 2HG GLN 12 1HG GLN 12 7.837 14.827 6.855 106 1HE2 GLN 12 1HE2 GLN 12 9.737 13.102 6.067 107 2HE2 GLN 12 2HE2 GLN 12 11.174 13.880 5.608 108 H ASP 13 H ASP 13 7.502 15.844 5.400 109 HA ASP 13 HA ASP 13 9.830 16.688 3.867 110 1HB ASP 13 2HB ASP 13 7.292 15.121 3.407 111 2HB ASP 13 1HB ASP 13 8.310 15.561 2.037 112 H THR 14 H THR 14 6.516 17.646 4.299 113 HA THR 14 HA THR 14 6.509 19.613 2.111 114 HB THR 14 HB THR 14 4.247 20.099 3.273 115 HG1 THR 14 HG1 THR 14 3.696 18.244 4.652 116 1HG2 THR 14 1HG2 THR 14 3.327 18.562 1.900 117 2HG2 THR 14 2HG2 THR 14 4.114 17.230 2.742 118 3HG2 THR 14 3HG2 THR 14 4.985 18.118 1.495 119 H GLY 15 H GLY 15 5.567 19.978 5.525 120 1HA GLY 15 2HA GLY 15 6.055 21.686 7.067 121 2HA GLY 15 1HA GLY 15 7.689 21.628 6.408 122 H LEU 16 H LEU 16 5.268 22.358 4.104 123 HA LEU 16 HA LEU 16 6.308 25.104 3.783 124 1HB LEU 16 2HB LEU 16 3.866 24.050 2.377 125 2HB LEU 16 1HB LEU 16 5.112 25.126 1.758 126 HG LEU 16 HG LEU 16 6.580 22.890 2.247 127 1HD1 LEU 16 1HD1 LEU 16 4.066 21.808 1.045 128 2HD1 LEU 16 2HD1 LEU 16 4.225 21.860 2.791 129 3HD1 LEU 16 3HD1 LEU 16 5.370 20.945 1.825 130 1HD2 LEU 16 1HD2 LEU 16 5.198 22.741 -0.347 131 2HD2 LEU 16 2HD2 LEU 16 6.905 23.012 -0.010 132 3HD2 LEU 16 3HD2 LEU 16 5.773 24.364 0.030 133 H THR 17 H THR 17 3.198 23.592 4.421 134 HA THR 17 HA THR 17 2.437 25.887 6.130 135 HB THR 17 HB THR 17 1.717 25.636 3.473 136 HG1 THR 17 HG1 THR 17 0.082 27.178 4.096 137 1HG2 THR 17 1HG2 THR 17 -0.765 25.154 3.620 138 2HG2 THR 17 2HG2 THR 17 -0.465 24.466 5.207 139 3HG2 THR 17 3HG2 THR 17 0.289 23.755 3.782 140 H GLN 18 H GLN 18 2.658 22.562 5.676 141 HA GLN 18 HA GLN 18 1.660 20.723 6.779 142 1HB GLN 18 2HB GLN 18 0.665 22.817 8.734 143 2HB GLN 18 1HB GLN 18 1.103 21.143 9.079 144 1HG GLN 18 2HG GLN 18 3.459 21.899 8.148 145 2HG GLN 18 1HG GLN 18 2.882 23.505 8.596 146 1HE2 GLN 18 1HE2 GLN 18 3.604 20.267 9.919 147 2HE2 GLN 18 2HE2 GLN 18 3.725 20.775 11.534 148 H VAL 19 H VAL 19 0.341 22.358 4.780 149 HA VAL 19 HA VAL 19 -1.974 23.191 4.380 150 HB VAL 19 HB VAL 19 -1.290 21.766 2.671 151 1HG1 VAL 19 1HG1 VAL 19 -0.994 19.264 3.005 152 2HG1 VAL 19 2HG1 VAL 19 -1.136 19.573 4.733 153 3HG1 VAL 19 3HG1 VAL 19 0.178 20.301 3.816 154 1HG2 VAL 19 1HG2 VAL 19 -3.102 19.663 2.926 155 2HG2 VAL 19 2HG2 VAL 19 -3.369 21.195 2.098 156 3HG2 VAL 19 3HG2 VAL 19 -3.846 21.007 3.779 157 H SER 20 H SER 20 -2.924 19.970 5.172 158 HA SER 20 HA SER 20 -4.233 20.875 7.654 159 1HB SER 20 2HB SER 20 -6.336 20.198 6.899 160 2HB SER 20 1HB SER 20 -5.648 20.836 5.420 161 HG SER 20 HG SER 20 -4.899 18.626 5.057 162 H VAL 21 H VAL 21 -1.852 19.201 6.775 163 HA VAL 21 HA VAL 21 -1.454 16.721 6.696 164 HB VAL 21 HB VAL 21 -0.311 16.648 8.924 165 1HG1 VAL 21 1HG1 VAL 21 1.140 17.527 7.389 166 2HG1 VAL 21 2HG1 VAL 21 0.919 18.972 8.374 167 3HG1 VAL 21 3HG1 VAL 21 0.006 18.776 6.879 168 1HG2 VAL 21 1HG2 VAL 21 -0.330 18.868 10.171 169 2HG2 VAL 21 2HG2 VAL 21 -1.802 17.909 10.312 170 3HG2 VAL 21 3HG2 VAL 21 -1.751 19.291 9.217 171 H SER 22 H SER 22 -3.448 17.939 9.242 172 HA SER 22 HA SER 22 -4.307 15.325 10.250 173 1HB SER 22 2HB SER 22 -5.541 18.087 10.512 174 2HB SER 22 1HB SER 22 -5.878 16.704 11.549 175 HG SER 22 HG SER 22 -3.787 16.776 12.292 176 H LYS 23 H LYS 23 -5.703 17.759 8.062 177 HA LYS 23 HA LYS 23 -8.055 16.110 7.552 178 1HB LYS 23 2HB LYS 23 -7.240 18.827 7.366 179 2HB LYS 23 1HB LYS 23 -7.762 18.314 5.762 180 1HG LYS 23 2HG LYS 23 -9.862 17.465 6.728 181 2HG LYS 23 1HG LYS 23 -9.337 17.995 8.325 182 1HD LYS 23 2HD LYS 23 -10.900 19.600 7.106 183 2HD LYS 23 1HD LYS 23 -9.388 20.303 7.679 184 1HE LYS 23 2HE LYS 23 -8.483 20.450 5.519 185 2HE LYS 23 1HE LYS 23 -9.545 19.177 4.884 186 1HZ LYS 23 1HZ LYS 23 -10.499 21.802 5.901 187 2HZ LYS 23 2HZ LYS 23 -11.437 20.599 5.154 188 3HZ LYS 23 3HZ LYS 23 -10.270 21.448 4.258 189 H MET 24 H MET 24 -4.965 16.860 5.816 190 HA MET 24 HA MET 24 -5.947 15.729 3.343 191 1HB MET 24 2HB MET 24 -3.149 15.201 3.529 192 2HB MET 24 1HB MET 24 -3.956 16.421 2.568 193 1HG MET 24 2HG MET 24 -3.461 18.108 4.043 194 2HG MET 24 1HG MET 24 -3.516 17.046 5.452 195 1HE MET 24 1HE MET 24 -2.301 15.195 5.725 196 2HE MET 24 2HE MET 24 -0.538 15.166 5.719 197 3HE MET 24 3HE MET 24 -1.430 14.542 4.331 198 H LEU 25 H LEU 25 -4.739 14.318 6.357 199 HA LEU 25 HA LEU 25 -4.388 11.680 5.127 200 1HB LEU 25 2HB LEU 25 -3.381 11.263 7.115 201 2HB LEU 25 1HB LEU 25 -3.596 12.973 7.455 202 HG LEU 25 HG LEU 25 -5.727 12.507 8.566 203 1HD1 LEU 25 1HD1 LEU 25 -5.497 10.001 7.178 204 2HD1 LEU 25 2HD1 LEU 25 -6.850 10.584 8.141 205 3HD1 LEU 25 3HD1 LEU 25 -5.553 9.668 8.905 206 1HD2 LEU 25 1HD2 LEU 25 -4.487 10.596 10.178 207 2HD2 LEU 25 2HD2 LEU 25 -4.330 12.344 10.339 208 3HD2 LEU 25 3HD2 LEU 25 -3.143 11.433 9.406 209 H ALA 26 H ALA 26 -6.804 13.248 7.271 210 HA ALA 26 HA ALA 26 -8.697 11.113 7.317 211 1HB ALA 26 1HB ALA 26 -9.668 13.924 7.150 212 2HB ALA 26 2HB ALA 26 -8.469 13.603 8.403 213 3HB ALA 26 3HB ALA 26 -9.986 12.705 8.384 214 H SER 27 H SER 27 -7.861 13.552 4.961 215 HA SER 27 HA SER 27 -10.141 12.972 3.184 216 1HB SER 27 2HB SER 27 -9.413 15.187 2.999 217 2HB SER 27 1HB SER 27 -7.726 14.753 3.252 218 HG SER 27 HG SER 27 -7.605 14.018 1.183 219 H PHE 28 H PHE 28 -6.679 12.308 3.446 220 HA PHE 28 HA PHE 28 -6.174 11.014 0.988 221 1HB PHE 28 2HB PHE 28 -4.432 11.583 2.504 222 2HB PHE 28 1HB PHE 28 -5.210 10.743 3.836 223 HD1 PHE 28 HD1 PHE 28 -5.053 8.326 4.062 224 HD2 PHE 28 HD2 PHE 28 -3.177 10.377 0.802 225 HE1 PHE 28 HE1 PHE 28 -3.620 6.371 3.669 226 HE2 PHE 28 HE2 PHE 28 -1.747 8.417 0.390 227 HZ PHE 28 HZ PHE 28 -1.959 6.404 1.810 228 H GLU 29 H GLU 29 -7.408 9.562 4.062 229 HA GLU 29 HA GLU 29 -7.807 6.949 2.883 230 1HB GLU 29 2HB GLU 29 -8.019 8.158 5.403 231 2HB GLU 29 1HB GLU 29 -9.680 7.740 4.992 232 1HG GLU 29 2HG GLU 29 -8.165 5.547 4.160 233 2HG GLU 29 1HG GLU 29 -7.491 6.001 5.719 234 H LYS 30 H LYS 30 -9.666 9.875 3.339 235 HA LYS 30 HA LYS 30 -12.169 8.975 2.330 236 1HB LYS 30 2HB LYS 30 -11.485 11.168 3.537 237 2HB LYS 30 1HB LYS 30 -11.042 11.747 1.930 238 1HG LYS 30 2HG LYS 30 -13.292 11.366 1.111 239 2HG LYS 30 1HG LYS 30 -13.760 10.614 2.637 240 1HD LYS 30 2HD LYS 30 -12.945 12.911 3.661 241 2HD LYS 30 1HD LYS 30 -13.249 13.506 2.029 242 1HE LYS 30 2HE LYS 30 -15.560 12.893 2.124 243 2HE LYS 30 1HE LYS 30 -15.308 11.906 3.578 244 1HZ LYS 30 1HZ LYS 30 -16.188 14.090 4.154 245 2HZ LYS 30 2HZ LYS 30 -14.874 14.841 3.382 246 3HZ LYS 30 3HZ LYS 30 -14.620 13.893 4.769 247 H ILE 31 H ILE 31 -9.134 9.627 0.742 248 HA ILE 31 HA ILE 31 -10.571 9.516 -1.870 249 HB ILE 31 HB ILE 31 -8.328 10.438 -2.667 250 1HG1 ILE 31 2HG1 ILE 31 -7.769 12.026 -0.445 251 2HG1 ILE 31 1HG1 ILE 31 -7.842 10.372 0.138 252 1HG2 ILE 31 1HG2 ILE 31 -10.535 11.596 -2.583 253 2HG2 ILE 31 2HG2 ILE 31 -9.175 12.692 -2.341 254 3HG2 ILE 31 3HG2 ILE 31 -10.127 12.149 -0.960 255 1HD1 ILE 31 1HD1 ILE 31 -5.827 11.616 -1.519 256 2HD1 ILE 31 2HD1 ILE 31 -6.496 10.183 -2.300 257 3HD1 ILE 31 3HD1 ILE 31 -5.782 10.060 -0.694 258 H ILE 32 H ILE 32 -8.259 8.023 0.162 259 HA ILE 32 HA ILE 32 -7.262 6.221 -1.928 260 HB ILE 32 HB ILE 32 -7.031 6.072 1.102 261 1HG1 ILE 32 2HG1 ILE 32 -6.046 8.103 -0.521 262 2HG1 ILE 32 1HG1 ILE 32 -5.373 7.644 1.039 263 1HG2 ILE 32 1HG2 ILE 32 -5.611 4.723 -1.216 264 2HG2 ILE 32 2HG2 ILE 32 -6.457 3.964 0.133 265 3HG2 ILE 32 3HG2 ILE 32 -4.913 4.775 0.403 266 1HD1 ILE 32 1HD1 ILE 32 -3.708 7.767 -0.872 267 2HD1 ILE 32 2HD1 ILE 32 -4.518 6.361 -1.563 268 3HD1 ILE 32 3HD1 ILE 32 -3.728 6.240 0.010 269 H THR 33 H THR 33 -9.238 6.077 0.985 270 HA THR 33 HA THR 33 -10.233 3.435 0.453 271 HB THR 33 HB THR 33 -11.639 5.311 2.264 272 HG1 THR 33 HG1 THR 33 -8.901 4.629 2.545 273 1HG2 THR 33 1HG2 THR 33 -11.787 2.780 2.101 274 2HG2 THR 33 2HG2 THR 33 -11.568 3.473 3.709 275 3HG2 THR 33 3HG2 THR 33 -10.195 2.759 2.858 276 H GLU 34 H GLU 34 -11.419 6.780 0.081 277 HA GLU 34 HA GLU 34 -14.062 5.976 -0.786 278 1HB GLU 34 2HB GLU 34 -12.408 8.488 -0.978 279 2HB GLU 34 1HB GLU 34 -14.126 8.425 -1.357 280 1HG GLU 34 2HG GLU 34 -12.994 7.484 1.302 281 2HG GLU 34 1HG GLU 34 -13.590 9.125 1.049 282 H THR 35 H THR 35 -10.960 6.538 -2.511 283 HA THR 35 HA THR 35 -12.331 6.645 -5.114 284 HB THR 35 HB THR 35 -9.411 6.225 -4.402 285 HG1 THR 35 HG1 THR 35 -9.378 8.502 -4.969 286 1HG2 THR 35 1HG2 THR 35 -8.970 6.217 -6.623 287 2HG2 THR 35 2HG2 THR 35 -10.106 7.530 -6.928 288 3HG2 THR 35 3HG2 THR 35 -10.684 5.867 -6.838 289 H VAL 36 H VAL 36 -10.522 4.153 -3.269 290 HA VAL 36 HA VAL 36 -10.641 2.092 -5.239 291 HB VAL 36 HB VAL 36 -9.435 1.837 -3.151 292 1HG1 VAL 36 1HG1 VAL 36 -12.111 1.964 -1.797 293 2HG1 VAL 36 2HG1 VAL 36 -10.870 3.212 -1.746 294 3HG1 VAL 36 3HG1 VAL 36 -10.574 1.647 -1.003 295 1HG2 VAL 36 1HG2 VAL 36 -9.999 -0.390 -2.627 296 2HG2 VAL 36 2HG2 VAL 36 -10.604 -0.178 -4.270 297 3HG2 VAL 36 3HG2 VAL 36 -11.717 -0.099 -2.904 298 H ALA 37 H ALA 37 -12.976 3.215 -2.856 299 HA ALA 37 HA ALA 37 -15.047 1.329 -3.723 300 1HB ALA 37 1HB ALA 37 -16.320 2.271 -1.998 301 2HB ALA 37 2HB ALA 37 -15.500 3.828 -2.117 302 3HB ALA 37 3HB ALA 37 -14.665 2.441 -1.417 303 H LYS 38 H LYS 38 -13.781 4.090 -5.143 304 HA LYS 38 HA LYS 38 -16.386 4.736 -6.472 305 1HB LYS 38 2HB LYS 38 -14.209 6.321 -5.361 306 2HB LYS 38 1HB LYS 38 -14.489 6.727 -7.051 307 1HG LYS 38 2HG LYS 38 -16.427 7.774 -6.572 308 2HG LYS 38 1HG LYS 38 -16.998 6.417 -5.601 309 1HD LYS 38 2HD LYS 38 -14.836 7.882 -4.284 310 2HD LYS 38 1HD LYS 38 -16.227 8.911 -4.628 311 1HE LYS 38 2HE LYS 38 -16.528 6.190 -3.325 312 2HE LYS 38 1HE LYS 38 -16.316 7.681 -2.386 313 1HZ LYS 38 1HZ LYS 38 -18.425 7.147 -4.411 314 2HZ LYS 38 2HZ LYS 38 -18.167 8.652 -3.667 315 3HZ LYS 38 3HZ LYS 38 -18.653 7.314 -2.739 316 H GLY 39 H GLY 39 -13.640 2.965 -6.854 317 1HA GLY 39 2HA GLY 39 -13.310 1.762 -8.944 318 2HA GLY 39 1HA GLY 39 -13.798 3.219 -9.809 319 H ASP 40 H ASP 40 -11.561 3.126 -7.082 320 HA ASP 40 HA ASP 40 -9.619 4.855 -8.030 321 1HB ASP 40 2HB ASP 40 -9.793 3.826 -5.780 322 2HB ASP 40 1HB ASP 40 -9.171 2.322 -6.435 323 H LYS 41 H LYS 41 -7.436 4.453 -8.695 324 HA LYS 41 HA LYS 41 -6.510 2.062 -9.992 325 1HB LYS 41 2HB LYS 41 -8.265 3.872 -11.453 326 2HB LYS 41 1HB LYS 41 -6.674 3.821 -12.211 327 1HG LYS 41 2HG LYS 41 -6.769 1.402 -12.382 328 2HG LYS 41 1HG LYS 41 -8.276 1.359 -11.464 329 1HD LYS 41 2HD LYS 41 -9.061 3.035 -13.389 330 2HD LYS 41 1HD LYS 41 -7.804 2.191 -14.293 331 1HE LYS 41 2HE LYS 41 -8.887 0.105 -14.097 332 2HE LYS 41 1HE LYS 41 -9.870 0.646 -12.721 333 1HZ LYS 41 1HZ LYS 41 -10.034 1.698 -15.497 334 2HZ LYS 41 2HZ LYS 41 -10.945 2.258 -14.177 335 3HZ LYS 41 3HZ LYS 41 -11.171 0.678 -14.759 336 H VAL 42 H VAL 42 -5.275 3.467 -8.129 337 HA VAL 42 HA VAL 42 -3.667 5.651 -9.291 338 HB VAL 42 HB VAL 42 -2.990 5.997 -6.985 339 1HG1 VAL 42 1HG1 VAL 42 -5.781 5.765 -7.768 340 2HG1 VAL 42 2HG1 VAL 42 -4.989 7.008 -6.800 341 3HG1 VAL 42 3HG1 VAL 42 -5.573 5.536 -6.033 342 1HG2 VAL 42 1HG2 VAL 42 -3.926 4.398 -5.222 343 2HG2 VAL 42 2HG2 VAL 42 -2.580 3.791 -6.185 344 3HG2 VAL 42 3HG2 VAL 42 -4.226 3.275 -6.547 345 H GLN 43 H GLN 43 -1.597 5.420 -9.949 346 HA GLN 43 HA GLN 43 -0.180 2.860 -9.326 347 1HB GLN 43 2HB GLN 43 -0.364 2.700 -11.606 348 2HB GLN 43 1HB GLN 43 -0.738 4.411 -11.780 349 1HG GLN 43 2HG GLN 43 1.498 5.026 -11.929 350 2HG GLN 43 1HG GLN 43 2.056 3.595 -11.062 351 1HE2 GLN 43 1HE2 GLN 43 3.523 2.931 -12.782 352 2HE2 GLN 43 2HE2 GLN 43 2.947 2.341 -14.265 353 H LEU 44 H LEU 44 1.112 3.548 -7.591 354 HA LEU 44 HA LEU 44 2.237 6.199 -7.403 355 1HB LEU 44 2HB LEU 44 2.720 3.544 -6.036 356 2HB LEU 44 1HB LEU 44 3.580 5.011 -5.573 357 HG LEU 44 HG LEU 44 0.564 4.853 -5.724 358 1HD1 LEU 44 1HD1 LEU 44 2.475 4.140 -3.534 359 2HD1 LEU 44 2HD1 LEU 44 0.905 3.441 -3.928 360 3HD1 LEU 44 3HD1 LEU 44 0.993 4.987 -3.102 361 1HD2 LEU 44 1HD2 LEU 44 2.614 6.879 -4.969 362 2HD2 LEU 44 2HD2 LEU 44 1.138 6.830 -4.004 363 3HD2 LEU 44 3HD2 LEU 44 1.045 7.101 -5.744 364 H THR 45 H THR 45 3.605 6.797 -9.048 365 HA THR 45 HA THR 45 5.327 6.597 -10.680 366 HB THR 45 HB THR 45 6.596 7.587 -9.024 367 HG1 THR 45 HG1 THR 45 8.328 6.657 -9.698 368 1HG2 THR 45 1HG2 THR 45 6.162 5.112 -7.329 369 2HG2 THR 45 2HG2 THR 45 5.389 6.676 -7.109 370 3HG2 THR 45 3HG2 THR 45 7.121 6.505 -6.838 371 H GLY 46 H GLY 46 6.891 4.138 -8.711 372 1HA GLY 46 2HA GLY 46 6.006 1.984 -10.522 373 2HA GLY 46 1HA GLY 46 7.725 2.379 -10.556 374 H PHE 47 H PHE 47 5.691 2.522 -7.654 375 HA PHE 47 HA PHE 47 7.104 0.103 -6.649 376 1HB PHE 47 2HB PHE 47 7.960 1.237 -4.814 377 2HB PHE 47 1HB PHE 47 8.048 2.466 -6.065 378 HD1 PHE 47 HD1 PHE 47 6.900 4.496 -5.848 379 HD2 PHE 47 HD2 PHE 47 5.950 1.233 -3.256 380 HE1 PHE 47 HE1 PHE 47 5.475 5.999 -4.491 381 HE2 PHE 47 HE2 PHE 47 4.531 2.721 -1.898 382 HZ PHE 47 HZ PHE 47 4.288 5.106 -2.516 383 H LEU 48 H LEU 48 4.187 2.084 -6.565 384 HA LEU 48 HA LEU 48 2.854 -0.202 -5.205 385 1HB LEU 48 2HB LEU 48 3.130 2.592 -4.291 386 2HB LEU 48 1HB LEU 48 1.523 1.898 -4.131 387 HG LEU 48 HG LEU 48 4.090 0.985 -2.843 388 1HD1 LEU 48 1HD1 LEU 48 1.375 1.275 -1.599 389 2HD1 LEU 48 2HD1 LEU 48 2.404 2.684 -1.860 390 3HD1 LEU 48 3HD1 LEU 48 2.960 1.363 -0.831 391 1HD2 LEU 48 1HD2 LEU 48 3.457 -1.173 -2.967 392 2HD2 LEU 48 2HD2 LEU 48 1.986 -0.730 -3.829 393 3HD2 LEU 48 3HD2 LEU 48 1.999 -0.758 -2.070 394 H ASN 49 H ASN 49 1.573 -0.866 -6.918 395 HA ASN 49 HA ASN 49 0.029 1.217 -8.411 396 1HB ASN 49 2HB ASN 49 1.626 -0.733 -9.327 397 2HB ASN 49 1HB ASN 49 0.133 -1.662 -9.201 398 1HD2 ASN 49 1HD2 ASN 49 -1.755 -0.873 -10.470 399 2HD2 ASN 49 2HD2 ASN 49 -1.511 0.115 -11.828 400 H ILE 50 H ILE 50 -1.459 1.310 -6.430 401 HA ILE 50 HA ILE 50 -3.031 -0.941 -5.601 402 HB ILE 50 HB ILE 50 -3.093 2.031 -5.402 403 1HG1 ILE 50 2HG1 ILE 50 -1.896 0.658 -3.743 404 2HG1 ILE 50 1HG1 ILE 50 -3.234 1.520 -2.996 405 1HG2 ILE 50 1HG2 ILE 50 -5.508 0.272 -5.050 406 2HG2 ILE 50 2HG2 ILE 50 -5.399 1.864 -5.801 407 3HG2 ILE 50 3HG2 ILE 50 -5.305 1.708 -4.046 408 1HD1 ILE 50 1HD1 ILE 50 -4.141 -1.036 -4.010 409 2HD1 ILE 50 2HD1 ILE 50 -4.207 -0.407 -2.365 410 3HD1 ILE 50 3HD1 ILE 50 -2.768 -1.255 -2.925 411 H LYS 51 H LYS 51 -4.258 -2.109 -7.106 412 HA LYS 51 HA LYS 51 -6.043 -0.466 -8.882 413 1HB LYS 51 2HB LYS 51 -4.761 -1.242 -10.579 414 2HB LYS 51 1HB LYS 51 -3.870 -2.298 -9.490 415 1HG LYS 51 2HG LYS 51 -4.908 -3.666 -11.184 416 2HG LYS 51 1HG LYS 51 -5.756 -3.956 -9.669 417 1HD LYS 51 2HD LYS 51 -7.680 -2.958 -10.403 418 2HD LYS 51 1HD LYS 51 -6.814 -1.747 -11.346 419 1HE LYS 51 2HE LYS 51 -6.595 -4.567 -12.293 420 2HE LYS 51 1HE LYS 51 -8.156 -3.755 -12.532 421 1HZ LYS 51 1HZ LYS 51 -6.661 -3.275 -14.370 422 2HZ LYS 51 2HZ LYS 51 -5.496 -2.667 -13.293 423 3HZ LYS 51 3HZ LYS 51 -6.980 -1.863 -13.486 424 HA PRO 52 HA PRO 52 -8.890 -3.234 -6.783 425 1HB PRO 52 2HB PRO 52 -11.181 -1.984 -7.539 426 2HB PRO 52 1HB PRO 52 -10.137 -1.376 -6.240 427 1HG PRO 52 2HG PRO 52 -10.448 -0.424 -9.015 428 2HG PRO 52 1HG PRO 52 -10.061 0.476 -7.544 429 1HD PRO 52 2HD PRO 52 -8.236 -0.297 -9.509 430 2HD PRO 52 1HD PRO 52 -7.828 0.228 -7.861 431 H VAL 53 H VAL 53 -9.914 -5.016 -7.435 432 HA VAL 53 HA VAL 53 -10.931 -5.259 -10.206 433 HB VAL 53 HB VAL 53 -9.641 -7.355 -10.460 434 1HG1 VAL 53 1HG1 VAL 53 -8.756 -4.996 -11.058 435 2HG1 VAL 53 2HG1 VAL 53 -7.571 -6.298 -10.956 436 3HG1 VAL 53 3HG1 VAL 53 -7.743 -5.156 -9.623 437 1HG2 VAL 53 1HG2 VAL 53 -7.659 -7.117 -8.489 438 2HG2 VAL 53 2HG2 VAL 53 -8.935 -8.334 -8.537 439 3HG2 VAL 53 3HG2 VAL 53 -9.171 -6.846 -7.622 440 H ALA 54 H ALA 54 -12.966 -5.973 -9.971 441 HA ALA 54 HA ALA 54 -14.317 -6.856 -7.750 442 1HB ALA 54 1HB ALA 54 -14.847 -8.184 -10.382 443 2HB ALA 54 2HB ALA 54 -15.022 -6.436 -10.233 444 3HB ALA 54 3HB ALA 54 -15.993 -7.506 -9.225 445 H ARG 55 H ARG 55 -13.988 -8.483 -6.359 446 HA ARG 55 HA ARG 55 -13.390 -11.209 -7.356 447 1HB ARG 55 2HB ARG 55 -11.359 -9.507 -6.588 448 2HB ARG 55 1HB ARG 55 -11.710 -10.353 -5.081 449 1HG ARG 55 2HG ARG 55 -11.559 -12.040 -7.522 450 2HG ARG 55 1HG ARG 55 -10.038 -11.342 -6.963 451 1HD ARG 55 2HD ARG 55 -11.153 -12.229 -4.599 452 2HD ARG 55 1HD ARG 55 -11.656 -13.482 -5.752 453 HE ARG 55 HE ARG 55 -8.849 -12.640 -5.995 454 1HH1 ARG 55 1HH2 ARG 55 -10.275 -14.146 -3.451 455 2HH1 ARG 55 2HH2 ARG 55 -9.519 -15.689 -3.667 456 1HH2 ARG 55 2HH1 ARG 55 -8.241 -14.924 -6.798 457 2HH2 ARG 55 1HH1 ARG 55 -8.368 -16.130 -5.560 458 H GLN 56 H GLN 56 -15.678 -11.287 -6.528 459 HA GLN 56 HA GLN 56 -16.463 -10.747 -3.865 460 1HB GLN 56 2HB GLN 56 -18.304 -12.316 -4.407 461 2HB GLN 56 1HB GLN 56 -17.966 -11.227 -5.750 462 1HG GLN 56 2HG GLN 56 -16.277 -13.249 -6.372 463 2HG GLN 56 1HG GLN 56 -17.541 -14.158 -5.542 464 1HE2 GLN 56 1HE2 GLN 56 -17.286 -11.537 -8.022 465 2HE2 GLN 56 2HE2 GLN 56 -18.567 -12.118 -8.974 466 H ALA 57 H ALA 57 -17.492 -13.194 -2.916 467 HA ALA 57 HA ALA 57 -15.229 -15.048 -2.496 468 1HB ALA 57 1HB ALA 57 -14.834 -13.166 -0.946 469 2HB ALA 57 2HB ALA 57 -15.283 -14.612 -0.044 470 3HB ALA 57 3HB ALA 57 -16.469 -13.336 -0.313 471 H ARG 58 H ARG 58 -15.963 -16.835 -0.972 472 HA ARG 58 HA ARG 58 -18.646 -17.714 -1.767 473 1HB ARG 58 2HB ARG 58 -17.917 -19.749 -0.531 474 2HB ARG 58 1HB ARG 58 -16.812 -19.245 -1.804 475 1HG ARG 58 2HG ARG 58 -16.152 -18.003 0.739 476 2HG ARG 58 1HG ARG 58 -16.149 -19.757 0.862 477 1HD ARG 58 2HD ARG 58 -14.810 -19.554 -1.445 478 2HD ARG 58 1HD ARG 58 -14.377 -17.977 -0.757 479 HE ARG 58 HE ARG 58 -13.608 -19.215 1.287 480 1HH1 ARG 58 1HH2 ARG 58 -14.970 -21.617 -0.486 481 2HH1 ARG 58 2HH2 ARG 58 -13.567 -22.628 -0.589 482 1HH2 ARG 58 2HH1 ARG 58 -11.411 -20.214 0.655 483 2HH2 ARG 58 1HH1 ARG 58 -11.552 -21.833 0.056 484 H LYS 59 H LYS 59 -20.307 -16.825 -0.599 485 HA LYS 59 HA LYS 59 -20.242 -15.894 2.078 486 1HB LYS 59 2HB LYS 59 -22.732 -16.350 1.973 487 2HB LYS 59 1HB LYS 59 -22.091 -15.385 0.644 488 1HG LYS 59 2HG LYS 59 -21.955 -18.250 0.080 489 2HG LYS 59 1HG LYS 59 -23.606 -17.718 0.397 490 1HD LYS 59 2HD LYS 59 -23.713 -16.506 -1.521 491 2HD LYS 59 1HD LYS 59 -22.072 -15.889 -1.330 492 1HE LYS 59 2HE LYS 59 -21.660 -17.267 -3.131 493 2HE LYS 59 1HE LYS 59 -21.546 -18.513 -1.871 494 1HZ LYS 59 1HZ LYS 59 -23.810 -19.068 -2.138 495 2HZ LYS 59 2HZ LYS 59 -23.175 -18.991 -3.711 496 3HZ LYS 59 3HZ LYS 59 -24.119 -17.712 -3.109 497 H GLY 60 H GLY 60 -21.823 -17.140 3.782 498 1HA GLY 60 2HA GLY 60 -20.585 -19.839 4.026 499 2HA GLY 60 1HA GLY 60 -21.086 -18.847 5.389 500 H PHE 61 H PHE 61 -21.897 -21.560 3.750 501 HA PHE 61 HA PHE 61 -24.531 -21.566 4.946 502 1HB PHE 61 2HB PHE 61 -25.833 -21.525 2.973 503 2HB PHE 61 1HB PHE 61 -24.557 -20.364 2.594 504 HD1 PHE 61 HD1 PHE 61 -25.412 -24.016 2.310 505 HD2 PHE 61 HD2 PHE 61 -23.132 -20.723 0.760 506 HE1 PHE 61 HE1 PHE 61 -24.605 -25.444 0.466 507 HE2 PHE 61 HE2 PHE 61 -22.343 -22.151 -1.101 508 HZ PHE 61 HZ PHE 61 -23.072 -24.508 -1.252 509 H ASN 62 H ASN 62 -25.559 -23.659 4.836 510 HA ASN 62 HA ASN 62 -23.910 -25.824 3.704 511 1HB ASN 62 2HB ASN 62 -23.723 -26.949 5.797 512 2HB ASN 62 1HB ASN 62 -23.287 -25.266 6.083 513 1HD2 ASN 62 1HD2 ASN 62 -25.120 -23.839 6.957 514 2HD2 ASN 62 2HD2 ASN 62 -26.266 -24.558 7.982 515 HA PRO 63 HA PRO 63 -28.431 -27.259 4.328 516 1HB PRO 63 2HB PRO 63 -30.325 -25.396 3.701 517 2HB PRO 63 1HB PRO 63 -29.745 -25.654 5.358 518 1HG PRO 63 2HG PRO 63 -29.089 -23.499 3.439 519 2HG PRO 63 1HG PRO 63 -29.207 -23.449 5.203 520 1HD PRO 63 2HD PRO 63 -26.851 -23.550 3.754 521 2HD PRO 63 1HD PRO 63 -27.024 -23.971 5.474 522 H GLN 64 H GLN 64 -26.970 -25.257 1.966 523 HA GLN 64 HA GLN 64 -28.727 -26.104 -0.243 524 1HB GLN 64 2HB GLN 64 -27.722 -23.801 0.112 525 2HB GLN 64 1HB GLN 64 -26.167 -24.508 -0.293 526 1HG GLN 64 2HG GLN 64 -27.010 -23.610 -2.339 527 2HG GLN 64 1HG GLN 64 -27.253 -25.355 -2.444 528 1HE2 GLN 64 1HE2 GLN 64 -29.084 -24.983 -3.948 529 2HE2 GLN 64 2HE2 GLN 64 -30.583 -24.450 -3.355 530 H THR 65 H THR 65 -25.404 -25.916 -1.131 531 HA THR 65 HA THR 65 -25.365 -28.703 -1.973 532 HB THR 65 HB THR 65 -23.248 -28.116 -2.919 533 HG1 THR 65 HG1 THR 65 -23.195 -26.364 -0.764 534 1HG2 THR 65 1HG2 THR 65 -24.370 -25.369 -2.964 535 2HG2 THR 65 2HG2 THR 65 -25.455 -26.662 -3.476 536 3HG2 THR 65 3HG2 THR 65 -23.915 -26.426 -4.302 537 H GLN 66 H GLN 66 -24.977 -27.335 1.034 538 HA GLN 66 HA GLN 66 -24.302 -28.284 3.067 539 1HB GLN 66 2HB GLN 66 -24.609 -30.428 1.355 540 2HB GLN 66 1HB GLN 66 -22.942 -30.616 1.900 541 1HG GLN 66 2HG GLN 66 -23.956 -31.688 3.653 542 2HG GLN 66 1HG GLN 66 -24.116 -30.040 4.263 543 1HE2 GLN 66 1HE2 GLN 66 -26.191 -29.124 2.493 544 2HE2 GLN 66 2HE2 GLN 66 -27.610 -29.983 2.854 545 H GLU 67 H GLU 67 -22.775 -26.921 3.725 546 HA GLU 67 HA GLU 67 -20.159 -27.399 4.228 547 1HB GLU 67 2HB GLU 67 -18.918 -26.337 2.306 548 2HB GLU 67 1HB GLU 67 -19.721 -27.837 1.861 549 1HG GLU 67 2HG GLU 67 -21.715 -26.112 1.299 550 2HG GLU 67 1HG GLU 67 -20.338 -25.038 1.051 551 H ALA 68 H ALA 68 -21.300 -25.903 5.819 552 HA ALA 68 HA ALA 68 -21.982 -23.179 5.256 553 1HB ALA 68 1HB ALA 68 -22.690 -23.814 7.321 554 2HB ALA 68 2HB ALA 68 -21.132 -23.161 7.831 555 3HB ALA 68 3HB ALA 68 -21.320 -24.896 7.571 556 H LEU 69 H LEU 69 -20.732 -21.368 5.017 557 HA LEU 69 HA LEU 69 -17.798 -21.521 5.648 558 1HB LEU 69 2HB LEU 69 -18.680 -20.316 3.045 559 2HB LEU 69 1HB LEU 69 -17.163 -21.114 3.441 560 HG LEU 69 HG LEU 69 -19.782 -22.609 3.300 561 1HD1 LEU 69 1HD1 LEU 69 -19.718 -22.013 1.099 562 2HD1 LEU 69 2HD1 LEU 69 -18.579 -23.357 1.032 563 3HD1 LEU 69 3HD1 LEU 69 -17.982 -21.699 1.124 564 1HD2 LEU 69 1HD2 LEU 69 -17.410 -24.077 2.572 565 2HD2 LEU 69 2HD2 LEU 69 -18.509 -24.372 3.916 566 3HD2 LEU 69 3HD2 LEU 69 -17.146 -23.276 4.120 567 H GLU 70 H GLU 70 -17.648 -18.925 3.940 568 HA GLU 70 HA GLU 70 -19.084 -16.737 4.484 569 1HB GLU 70 2HB GLU 70 -19.593 -17.282 6.748 570 2HB GLU 70 1HB GLU 70 -17.927 -17.733 7.107 571 1HG GLU 70 2HG GLU 70 -17.274 -15.559 7.435 572 2HG GLU 70 1HG GLU 70 -18.366 -14.937 6.197 573 H ILE 71 H ILE 71 -17.901 -14.907 3.951 574 HA ILE 71 HA ILE 71 -15.061 -14.578 4.530 575 HB ILE 71 HB ILE 71 -14.852 -14.452 1.864 576 1HG1 ILE 71 2HG1 ILE 71 -16.090 -16.230 0.790 577 2HG1 ILE 71 1HG1 ILE 71 -16.888 -16.622 2.306 578 1HG2 ILE 71 1HG2 ILE 71 -13.724 -15.991 3.686 579 2HG2 ILE 71 2HG2 ILE 71 -13.622 -16.417 1.977 580 3HG2 ILE 71 3HG2 ILE 71 -14.808 -17.208 3.014 581 1HD1 ILE 71 1HD1 ILE 71 -17.095 -13.804 1.417 582 2HD1 ILE 71 2HD1 ILE 71 -18.313 -14.834 2.164 583 3HD1 ILE 71 3HD1 ILE 71 -17.970 -14.980 0.444 584 H ALA 72 H ALA 72 -14.638 -12.778 2.309 585 HA ALA 72 HA ALA 72 -16.730 -10.710 2.844 586 1HB ALA 72 1HB ALA 72 -13.768 -10.208 2.555 587 2HB ALA 72 2HB ALA 72 -14.506 -10.587 4.111 588 3HB ALA 72 3HB ALA 72 -14.988 -9.134 3.236 589 HA PRO 73 HA PRO 73 -16.320 -11.201 -1.749 590 1HB PRO 73 2HB PRO 73 -18.914 -10.397 -2.203 591 2HB PRO 73 1HB PRO 73 -18.464 -12.078 -1.855 592 1HG PRO 73 2HG PRO 73 -19.478 -9.975 0.017 593 2HG PRO 73 1HG PRO 73 -20.000 -11.662 -0.163 594 1HD PRO 73 2HD PRO 73 -18.355 -11.000 1.804 595 2HD PRO 73 1HD PRO 73 -18.095 -12.500 0.885 596 H SER 74 H SER 74 -15.270 -9.454 -2.640 597 HA SER 74 HA SER 74 -16.540 -6.857 -2.893 598 1HB SER 74 2HB SER 74 -15.559 -5.721 -1.162 599 2HB SER 74 1HB SER 74 -15.415 -7.323 -0.449 600 HG SER 74 HG SER 74 -13.488 -5.848 -1.912 601 H VAL 75 H VAL 75 -14.998 -5.299 -4.050 602 HA VAL 75 HA VAL 75 -13.665 -6.528 -6.218 603 HB VAL 75 HB VAL 75 -14.319 -3.953 -5.364 604 1HG1 VAL 75 1HG1 VAL 75 -11.880 -4.042 -4.367 605 2HG1 VAL 75 2HG1 VAL 75 -12.403 -2.617 -5.257 606 3HG1 VAL 75 3HG1 VAL 75 -11.393 -3.827 -6.047 607 1HG2 VAL 75 1HG2 VAL 75 -13.762 -3.301 -7.604 608 2HG2 VAL 75 2HG2 VAL 75 -14.310 -4.974 -7.684 609 3HG2 VAL 75 3HG2 VAL 75 -12.587 -4.606 -7.756 610 H GLY 76 H GLY 76 -11.159 -5.920 -6.580 611 1HA GLY 76 2HA GLY 76 -9.705 -6.873 -4.142 612 2HA GLY 76 1HA GLY 76 -9.318 -7.468 -5.758 613 H VAL 77 H VAL 77 -9.177 -4.652 -3.639 614 HA VAL 77 HA VAL 77 -7.891 -2.852 -5.480 615 HB VAL 77 HB VAL 77 -8.941 -2.113 -3.398 616 1HG1 VAL 77 1HG1 VAL 77 -7.529 -2.727 -1.245 617 2HG1 VAL 77 2HG1 VAL 77 -7.059 -4.122 -2.213 618 3HG1 VAL 77 3HG1 VAL 77 -8.759 -3.835 -1.851 619 1HG2 VAL 77 1HG2 VAL 77 -6.201 -1.571 -2.519 620 2HG2 VAL 77 2HG2 VAL 77 -7.435 -0.450 -3.094 621 3HG2 VAL 77 3HG2 VAL 77 -6.417 -1.311 -4.249 622 H SER 78 H SER 78 -6.534 -4.773 -6.370 623 HA SER 78 HA SER 78 -4.355 -5.836 -4.849 624 1HB SER 78 2HB SER 78 -5.225 -5.624 -7.679 625 2HB SER 78 1HB SER 78 -3.515 -5.957 -7.424 626 HG SER 78 HG SER 78 -5.431 -7.683 -7.356 627 H VAL 79 H VAL 79 -2.065 -5.438 -5.626 628 HA VAL 79 HA VAL 79 -1.051 -3.026 -6.680 629 HB VAL 79 HB VAL 79 -2.353 -2.258 -4.564 630 1HG1 VAL 79 1HG1 VAL 79 -1.058 -4.272 -3.331 631 2HG1 VAL 79 2HG1 VAL 79 -1.638 -2.837 -2.490 632 3HG1 VAL 79 3HG1 VAL 79 0.051 -2.947 -2.978 633 1HG2 VAL 79 1HG2 VAL 79 -1.072 -0.435 -4.820 634 2HG2 VAL 79 2HG2 VAL 79 0.091 -1.397 -5.719 635 3HG2 VAL 79 3HG2 VAL 79 0.253 -1.222 -3.973 636 H LYS 80 H LYS 80 1.339 -2.760 -5.237 637 HA LYS 80 HA LYS 80 2.339 -5.268 -4.247 638 1HB LYS 80 2HB LYS 80 3.730 -5.831 -6.221 639 2HB LYS 80 1HB LYS 80 2.019 -5.824 -6.636 640 1HG LYS 80 2HG LYS 80 2.496 -3.290 -7.227 641 2HG LYS 80 1HG LYS 80 4.157 -3.863 -7.384 642 1HD LYS 80 2HD LYS 80 3.419 -5.592 -8.976 643 2HD LYS 80 1HD LYS 80 1.754 -5.032 -8.817 644 1HE LYS 80 2HE LYS 80 2.125 -3.148 -10.093 645 2HE LYS 80 1HE LYS 80 3.802 -2.980 -9.538 646 1HZ LYS 80 1HZ LYS 80 4.323 -5.035 -10.776 647 2HZ LYS 80 2HZ LYS 80 3.823 -3.767 -11.791 648 3HZ LYS 80 3HZ LYS 80 2.751 -5.031 -11.413 649 HA PRO 81 HA PRO 81 5.790 -2.625 -3.319 650 1HB PRO 81 2HB PRO 81 7.650 -4.545 -2.777 651 2HB PRO 81 1HB PRO 81 6.248 -4.259 -1.728 652 1HG PRO 81 2HG PRO 81 6.797 -6.490 -3.535 653 2HG PRO 81 1HG PRO 81 5.671 -6.392 -2.179 654 1HD PRO 81 2HD PRO 81 5.096 -6.150 -4.984 655 2HD PRO 81 1HD PRO 81 3.962 -6.103 -3.619 656 H GLY 82 H GLY 82 6.129 -1.784 -5.539 657 1HA GLY 82 2HA GLY 82 7.570 -3.156 -7.572 658 2HA GLY 82 1HA GLY 82 7.493 -1.400 -7.431 659 H GLU 83 H GLU 83 9.856 -2.852 -8.193 660 HA GLU 83 HA GLU 83 11.690 -3.399 -6.126 661 1HB GLU 83 2HB GLU 83 13.377 -2.928 -7.870 662 2HB GLU 83 1HB GLU 83 12.028 -3.867 -8.508 663 1HG GLU 83 2HG GLU 83 11.017 -1.835 -9.438 664 2HG GLU 83 1HG GLU 83 12.312 -0.856 -8.748 665 H SER 84 H SER 84 10.364 -0.319 -7.038 666 HA SER 84 HA SER 84 12.456 1.462 -6.342 667 1HB SER 84 2HB SER 84 9.648 1.502 -6.859 668 2HB SER 84 1HB SER 84 9.922 2.418 -5.380 669 HG SER 84 HG SER 84 11.055 2.793 -7.945 670 H LEU 85 H LEU 85 10.172 -0.336 -4.315 671 HA LEU 85 HA LEU 85 11.098 0.894 -1.808 672 1HB LEU 85 2HB LEU 85 9.517 -1.660 -2.215 673 2HB LEU 85 1HB LEU 85 9.483 -0.595 -0.817 674 HG LEU 85 HG LEU 85 8.803 0.956 -3.124 675 1HD1 LEU 85 1HD1 LEU 85 7.769 -1.809 -3.118 676 2HD1 LEU 85 2HD1 LEU 85 7.848 -0.644 -4.437 677 3HD1 LEU 85 3HD1 LEU 85 6.526 -0.569 -3.272 678 1HD2 LEU 85 1HD2 LEU 85 7.868 0.396 -0.449 679 2HD2 LEU 85 2HD2 LEU 85 6.499 0.409 -1.558 680 3HD2 LEU 85 3HD2 LEU 85 7.559 1.815 -1.448 681 H LYS 86 H LYS 86 11.543 -2.111 -3.615 682 HA LYS 86 HA LYS 86 13.177 -3.402 -1.599 683 1HB LYS 86 2HB LYS 86 11.791 -4.095 -3.886 684 2HB LYS 86 1HB LYS 86 13.470 -4.217 -4.412 685 1HG LYS 86 2HG LYS 86 13.925 -5.630 -2.374 686 2HG LYS 86 1HG LYS 86 12.188 -5.636 -2.061 687 1HD LYS 86 2HD LYS 86 11.727 -7.006 -3.846 688 2HD LYS 86 1HD LYS 86 13.059 -6.371 -4.811 689 1HE LYS 86 2HE LYS 86 14.488 -7.982 -4.073 690 2HE LYS 86 1HE LYS 86 13.959 -7.786 -2.390 691 1HZ LYS 86 1HZ LYS 86 13.313 -9.950 -3.437 692 2HZ LYS 86 2HZ LYS 86 12.299 -9.077 -4.483 693 3HZ LYS 86 3HZ LYS 86 12.017 -9.054 -2.809 694 H LYS 87 H LYS 87 13.782 -1.361 -4.360 695 HA LYS 87 HA LYS 87 16.643 -1.851 -4.368 696 1HB LYS 87 2HB LYS 87 15.305 -1.189 -6.372 697 2HB LYS 87 1HB LYS 87 14.954 0.357 -5.597 698 1HG LYS 87 2HG LYS 87 17.581 0.498 -5.381 699 2HG LYS 87 1HG LYS 87 17.546 -0.654 -6.715 700 1HD LYS 87 2HD LYS 87 17.476 1.280 -7.954 701 2HD LYS 87 1HD LYS 87 15.747 1.113 -7.648 702 1HE LYS 87 2HE LYS 87 15.829 2.679 -5.820 703 2HE LYS 87 1HE LYS 87 17.603 2.690 -5.835 704 1HZ LYS 87 1HZ LYS 87 17.541 3.523 -8.108 705 2HZ LYS 87 2HZ LYS 87 16.724 4.584 -7.063 706 3HZ LYS 87 3HZ LYS 87 15.846 3.541 -8.078 707 H ALA 88 H ALA 88 14.361 0.461 -3.034 708 HA ALA 88 HA ALA 88 16.367 2.302 -2.020 709 1HB ALA 88 1HB ALA 88 13.473 1.732 -1.294 710 2HB ALA 88 2HB ALA 88 14.032 2.929 -2.462 711 3HB ALA 88 3HB ALA 88 14.384 3.141 -0.747 712 H ALA 89 H ALA 89 14.743 -0.625 -0.920 713 HA ALA 89 HA ALA 89 15.649 -0.450 1.834 714 1HB ALA 89 1HB ALA 89 13.656 -1.723 0.869 715 2HB ALA 89 2HB ALA 89 14.647 -2.621 2.018 716 3HB ALA 89 3HB ALA 89 14.823 -2.912 0.288 717 H GLU 90 H GLU 90 16.693 -2.528 -0.887 718 HA GLU 90 HA GLU 90 18.929 -3.698 0.408 719 1HB GLU 90 2HB GLU 90 19.748 -4.038 -1.891 720 2HB GLU 90 1HB GLU 90 18.006 -4.305 -1.833 721 1HG GLU 90 2HG GLU 90 17.588 -2.075 -2.709 722 2HG GLU 90 1HG GLU 90 19.309 -1.694 -2.653 723 H GLY 91 H GLY 91 18.325 -0.465 -0.700 724 1HA GLY 91 2HA GLY 91 21.126 0.334 -0.734 725 2HA GLY 91 1HA GLY 91 19.739 1.388 -0.965 726 H LEU 92 H LEU 92 18.463 0.486 1.772 727 HA LEU 92 HA LEU 92 20.286 2.304 3.293 728 1HB LEU 92 2HB LEU 92 17.600 1.307 4.189 729 2HB LEU 92 1HB LEU 92 18.403 2.810 4.613 730 HG LEU 92 HG LEU 92 16.945 2.088 2.092 731 1HD1 LEU 92 1HD1 LEU 92 16.221 3.540 4.222 732 2HD1 LEU 92 2HD1 LEU 92 15.663 3.929 2.600 733 3HD1 LEU 92 3HD1 LEU 92 17.019 4.809 3.301 734 1HD2 LEU 92 1HD2 LEU 92 18.704 2.933 0.886 735 2HD2 LEU 92 2HD2 LEU 92 19.415 3.725 2.292 736 3HD2 LEU 92 3HD2 LEU 92 18.076 4.486 1.434 737 H LYS 93 H LYS 93 18.270 -0.396 4.480 738 HA LYS 93 HA LYS 93 20.715 -1.615 5.666 739 1HB LYS 93 2HB LYS 93 18.569 -0.108 7.028 740 2HB LYS 93 1HB LYS 93 18.987 -1.643 7.790 741 1HG LYS 93 2HG LYS 93 20.661 -0.466 8.776 742 2HG LYS 93 1HG LYS 93 21.470 -0.615 7.216 743 1HD LYS 93 2HD LYS 93 21.070 1.567 6.644 744 2HD LYS 93 1HD LYS 93 19.513 1.607 7.473 745 1HE LYS 93 2HE LYS 93 20.566 1.879 9.622 746 2HE LYS 93 1HE LYS 93 22.171 1.545 8.940 747 1HZ LYS 93 1HZ LYS 93 21.794 3.931 9.121 748 2HZ LYS 93 2HZ LYS 93 20.391 3.801 8.170 749 3HZ LYS 93 3HZ LYS 93 21.915 3.469 7.494 750 H TYR 94 H TYR 94 19.061 -2.661 3.591 751 HA TYR 94 HA TYR 94 17.025 -4.450 4.503 752 1HB TYR 94 2HB TYR 94 16.953 -4.519 2.235 753 2HB TYR 94 1HB TYR 94 18.577 -3.856 2.122 754 HD1 TYR 94 HD1 TYR 94 16.944 -7.080 3.155 755 HD2 TYR 94 HD2 TYR 94 20.145 -5.166 1.027 756 HE1 TYR 94 HE1 TYR 94 17.815 -9.301 2.473 757 HE2 TYR 94 HE2 TYR 94 21.019 -7.387 0.344 758 HH TYR 94 HH TYR 94 20.791 -9.867 1.440 759 H GLU 95 H GLU 95 20.508 -4.958 3.951 760 HA GLU 95 HA GLU 95 20.585 -7.671 4.900 761 1HB GLU 95 2HB GLU 95 23.018 -7.263 4.917 762 2HB GLU 95 1HB GLU 95 22.293 -6.571 3.467 763 1HG GLU 95 2HG GLU 95 22.118 -4.380 4.832 764 2HG GLU 95 1HG GLU 95 23.257 -5.141 5.943 765 H ASP 96 H ASP 96 20.972 -4.521 6.466 766 HA ASP 96 HA ASP 96 21.915 -5.338 9.014 767 1HB ASP 96 2HB ASP 96 21.196 -3.009 7.795 768 2HB ASP 96 1HB ASP 96 19.827 -3.226 8.885 769 H PHE 97 H PHE 97 18.729 -5.501 7.540 770 HA PHE 97 HA PHE 97 17.326 -6.232 10.008 771 1HB PHE 97 2HB PHE 97 16.762 -5.966 7.077 772 2HB PHE 97 1HB PHE 97 15.638 -6.915 8.051 773 HD1 PHE 97 HD1 PHE 97 13.789 -5.726 8.791 774 HD2 PHE 97 HD2 PHE 97 17.577 -3.724 8.491 775 HE1 PHE 97 HE1 PHE 97 12.750 -3.638 9.627 776 HE2 PHE 97 HE2 PHE 97 16.538 -1.635 9.327 777 HZ PHE 97 HZ PHE 97 14.124 -1.591 9.898 778 H ALA 98 H ALA 98 18.810 -7.876 7.261 779 HA ALA 98 HA ALA 98 17.796 -10.516 7.736 780 1HB ALA 98 1HB ALA 98 20.553 -10.008 6.673 781 2HB ALA 98 2HB ALA 98 19.181 -9.338 5.790 782 3HB ALA 98 3HB ALA 98 19.299 -11.079 6.050 783 H LYS 99 H LYS 99 20.414 -8.678 9.196 784 HA LYS 99 HA LYS 99 21.858 -10.839 10.408 785 1HB LYS 99 2HB LYS 99 21.576 -7.893 10.664 786 2HB LYS 99 1HB LYS 99 22.229 -8.722 12.078 787 1HG LYS 99 2HG LYS 99 23.817 -9.910 10.442 788 2HG LYS 99 1HG LYS 99 23.323 -8.695 9.262 789 1HD LYS 99 2HD LYS 99 24.356 -7.958 12.007 790 2HD LYS 99 1HD LYS 99 25.422 -8.148 10.616 791 1HE LYS 99 2HE LYS 99 23.675 -6.516 9.455 792 2HE LYS 99 1HE LYS 99 23.351 -6.042 11.135 793 1HZ LYS 99 1HZ LYS 99 25.788 -5.855 11.445 794 2HZ LYS 99 2HZ LYS 99 25.169 -4.732 10.329 795 3HZ LYS 99 3HZ LYS 99 25.995 -6.112 9.781 796 1H MET 1 1H MET 1 -7.325 7.315 -10.761 797 2H MET 1 2H MET 1 -6.315 6.266 -9.888 798 3H MET 1 3H MET 1 -5.926 6.690 -11.486 799 HA MET 1 HA MET 1 -5.816 9.086 -10.652 800 1HB MET 1 2HB MET 1 -6.523 7.488 -8.315 801 2HB MET 1 1HB MET 1 -5.096 8.479 -8.019 802 1HG MET 1 2HG MET 1 -6.255 10.442 -8.181 803 2HG MET 1 1HG MET 1 -7.326 9.822 -9.439 804 1HE MET 1 1HE MET 1 -6.042 8.908 -6.159 805 2HE MET 1 2HE MET 1 -7.394 8.382 -5.161 806 3HE MET 1 3HE MET 1 -7.018 10.098 -5.289 807 H ASN 2 H ASN 2 -3.622 9.291 -8.849 808 HA ASN 2 HA ASN 2 -1.523 7.413 -9.278 809 1HB ASN 2 2HB ASN 2 -2.268 9.046 -11.524 810 2HB ASN 2 1HB ASN 2 -0.654 9.518 -10.997 811 1HD2 ASN 2 1HD2 ASN 2 -2.481 7.038 -12.613 812 2HD2 ASN 2 2HD2 ASN 2 -1.188 5.970 -12.875 813 H LYS 3 H LYS 3 0.723 8.654 -9.022 814 HA LYS 3 HA LYS 3 0.773 10.021 -6.559 815 1HB LYS 3 2HB LYS 3 2.556 9.787 -8.960 816 2HB LYS 3 1HB LYS 3 2.990 10.964 -7.722 817 1HG LYS 3 2HG LYS 3 2.425 8.818 -6.154 818 2HG LYS 3 1HG LYS 3 3.006 7.998 -7.599 819 1HD LYS 3 2HD LYS 3 5.139 8.534 -7.119 820 2HD LYS 3 1HD LYS 3 4.728 10.238 -7.024 821 1HE LYS 3 2HE LYS 3 4.809 8.194 -4.789 822 2HE LYS 3 1HE LYS 3 5.549 9.804 -4.847 823 1HZ LYS 3 1HZ LYS 3 2.777 9.058 -4.283 824 2HZ LYS 3 2HZ LYS 3 3.004 10.467 -5.202 825 3HZ LYS 3 3HZ LYS 3 3.703 10.335 -3.661 826 H THR 4 H THR 4 -0.031 11.179 -9.750 827 HA THR 4 HA THR 4 0.133 14.045 -9.002 828 HB THR 4 HB THR 4 -0.702 12.492 -11.473 829 HG1 THR 4 HG1 THR 4 1.303 12.759 -12.042 830 1HG2 THR 4 1HG2 THR 4 -1.956 14.534 -11.517 831 2HG2 THR 4 2HG2 THR 4 -0.572 14.772 -12.586 832 3HG2 THR 4 3HG2 THR 4 -0.566 15.473 -10.967 833 H GLU 5 H GLU 5 -2.367 11.771 -10.173 834 HA GLU 5 HA GLU 5 -4.589 13.487 -9.719 835 1HB GLU 5 2HB GLU 5 -4.456 10.466 -9.552 836 2HB GLU 5 1HB GLU 5 -5.893 11.419 -9.883 837 1HG GLU 5 2HG GLU 5 -3.415 11.336 -11.632 838 2HG GLU 5 1HG GLU 5 -4.924 10.490 -11.964 839 H LEU 6 H LEU 6 -3.166 10.934 -7.629 840 HA LEU 6 HA LEU 6 -4.847 11.313 -5.363 841 1HB LEU 6 2HB LEU 6 -1.967 10.501 -5.784 842 2HB LEU 6 1HB LEU 6 -2.642 10.585 -4.157 843 HG LEU 6 HG LEU 6 -4.098 9.085 -6.320 844 1HD1 LEU 6 1HD1 LEU 6 -2.009 7.997 -6.456 845 2HD1 LEU 6 2HD1 LEU 6 -2.896 7.035 -5.274 846 3HD1 LEU 6 3HD1 LEU 6 -1.690 8.203 -4.734 847 1HD2 LEU 6 1HD2 LEU 6 -5.117 7.965 -4.475 848 2HD2 LEU 6 2HD2 LEU 6 -5.061 9.665 -4.009 849 3HD2 LEU 6 3HD2 LEU 6 -3.880 8.532 -3.353 850 H ILE 7 H ILE 7 -1.997 13.108 -6.480 851 HA ILE 7 HA ILE 7 -1.543 14.828 -4.282 852 HB ILE 7 HB ILE 7 -0.861 14.601 -7.056 853 1HG1 ILE 7 2HG1 ILE 7 0.187 16.325 -4.803 854 2HG1 ILE 7 1HG1 ILE 7 0.806 14.759 -5.331 855 1HG2 ILE 7 1HG2 ILE 7 -0.725 17.056 -7.620 856 2HG2 ILE 7 2HG2 ILE 7 -1.787 17.370 -6.252 857 3HG2 ILE 7 3HG2 ILE 7 -2.359 16.410 -7.614 858 1HD1 ILE 7 1HD1 ILE 7 1.169 15.899 -7.630 859 2HD1 ILE 7 2HD1 ILE 7 2.282 16.326 -6.334 860 3HD1 ILE 7 3HD1 ILE 7 0.968 17.418 -6.760 861 H LYS 8 H LYS 8 -3.732 15.234 -7.052 862 HA LYS 8 HA LYS 8 -5.051 17.591 -6.092 863 1HB LYS 8 2HB LYS 8 -5.991 17.412 -8.154 864 2HB LYS 8 1HB LYS 8 -5.004 15.970 -8.377 865 1HG LYS 8 2HG LYS 8 -6.859 14.635 -7.301 866 2HG LYS 8 1HG LYS 8 -7.848 16.094 -7.335 867 1HD LYS 8 2HD LYS 8 -8.477 15.415 -9.403 868 2HD LYS 8 1HD LYS 8 -6.885 15.971 -9.921 869 1HE LYS 8 2HE LYS 8 -6.320 13.849 -10.457 870 2HE LYS 8 1HE LYS 8 -6.603 13.342 -8.781 871 1HZ LYS 8 1HZ LYS 8 -8.923 13.109 -9.216 872 2HZ LYS 8 2HZ LYS 8 -8.094 12.248 -10.425 873 3HZ LYS 8 3HZ LYS 8 -8.767 13.769 -10.770 874 H ALA 9 H ALA 9 -5.496 14.139 -5.504 875 HA ALA 9 HA ALA 9 -8.109 14.096 -4.431 876 1HB ALA 9 1HB ALA 9 -5.768 12.667 -3.180 877 2HB ALA 9 2HB ALA 9 -6.297 12.260 -4.812 878 3HB ALA 9 3HB ALA 9 -7.401 12.065 -3.453 879 H ILE 10 H ILE 10 -5.020 15.106 -2.977 880 HA ILE 10 HA ILE 10 -6.459 15.921 -0.501 881 HB ILE 10 HB ILE 10 -3.765 15.044 -1.317 882 1HG1 ILE 10 2HG1 ILE 10 -3.590 14.484 1.087 883 2HG1 ILE 10 1HG1 ILE 10 -5.096 15.347 1.389 884 1HG2 ILE 10 1HG2 ILE 10 -4.033 17.570 0.320 885 2HG2 ILE 10 2HG2 ILE 10 -3.003 17.279 -1.081 886 3HG2 ILE 10 3HG2 ILE 10 -2.630 16.510 0.461 887 1HD1 ILE 10 1HD1 ILE 10 -4.701 12.853 -0.277 888 2HD1 ILE 10 2HD1 ILE 10 -6.180 13.811 -0.333 889 3HD1 ILE 10 3HD1 ILE 10 -5.689 13.036 1.173 890 H ALA 11 H ALA 11 -4.695 17.119 -3.309 891 HA ALA 11 HA ALA 11 -4.571 19.868 -2.438 892 1HB ALA 11 1HB ALA 11 -4.871 19.301 -5.329 893 2HB ALA 11 2HB ALA 11 -3.635 18.333 -4.531 894 3HB ALA 11 3HB ALA 11 -3.543 20.089 -4.479 895 H GLN 12 H GLN 12 -7.181 17.857 -3.364 896 HA GLN 12 HA GLN 12 -8.889 20.228 -3.972 897 1HB GLN 12 2HB GLN 12 -9.225 17.280 -4.635 898 2HB GLN 12 1HB GLN 12 -10.336 18.561 -5.120 899 1HG GLN 12 2HG GLN 12 -7.402 18.601 -5.847 900 2HG GLN 12 1HG GLN 12 -8.622 17.851 -6.876 901 1HE2 GLN 12 1HE2 GLN 12 -10.695 19.484 -7.072 902 2HE2 GLN 12 2HE2 GLN 12 -10.267 21.072 -7.493 903 H ASP 13 H ASP 13 -8.727 17.149 -2.140 904 HA ASP 13 HA ASP 13 -11.223 17.653 -0.695 905 1HB ASP 13 2HB ASP 13 -8.772 15.916 -0.236 906 2HB ASP 13 1HB ASP 13 -10.185 15.872 0.817 907 H THR 14 H THR 14 -7.855 18.385 -0.453 908 HA THR 14 HA THR 14 -8.219 19.927 2.070 909 HB THR 14 HB THR 14 -5.497 19.594 1.074 910 HG1 THR 14 HG1 THR 14 -5.616 17.226 1.370 911 1HG2 THR 14 1HG2 THR 14 -5.171 19.336 3.262 912 2HG2 THR 14 2HG2 THR 14 -6.183 17.893 3.285 913 3HG2 THR 14 3HG2 THR 14 -6.913 19.483 3.496 914 H GLY 15 H GLY 15 -5.808 20.348 -0.509 915 1HA GLY 15 2HA GLY 15 -5.472 22.065 -2.073 916 2HA GLY 15 1HA GLY 15 -7.155 22.522 -1.841 917 H LEU 16 H LEU 16 -6.464 22.702 1.141 918 HA LEU 16 HA LEU 16 -6.486 25.213 1.930 919 1HB LEU 16 2HB LEU 16 -4.172 23.373 2.590 920 2HB LEU 16 1HB LEU 16 -4.663 24.764 3.558 921 HG LEU 16 HG LEU 16 -7.027 23.507 3.340 922 1HD1 LEU 16 1HD1 LEU 16 -5.263 21.648 2.263 923 2HD1 LEU 16 2HD1 LEU 16 -6.884 21.310 2.864 924 3HD1 LEU 16 3HD1 LEU 16 -5.495 21.100 3.917 925 1HD2 LEU 16 1HD2 LEU 16 -6.686 22.823 5.618 926 2HD2 LEU 16 2HD2 LEU 16 -5.657 24.238 5.398 927 3HD2 LEU 16 3HD2 LEU 16 -4.956 22.625 5.362 928 H THR 17 H THR 17 -3.330 23.997 0.927 929 HA THR 17 HA THR 17 -2.738 26.595 -0.377 930 HB THR 17 HB THR 17 -1.992 25.929 2.189 931 HG1 THR 17 HG1 THR 17 -1.817 27.973 1.188 932 1HG2 THR 17 1HG2 THR 17 0.254 25.143 0.320 933 2HG2 THR 17 2HG2 THR 17 -0.522 24.152 1.552 934 3HG2 THR 17 3HG2 THR 17 0.481 25.517 2.021 935 H GLN 18 H GLN 18 -2.980 23.356 -0.742 936 HA GLN 18 HA GLN 18 -1.979 21.794 -2.199 937 1HB GLN 18 2HB GLN 18 -0.500 24.178 -3.358 938 2HB GLN 18 1HB GLN 18 -1.010 22.713 -4.194 939 1HG GLN 18 2HG GLN 18 -3.416 23.432 -3.603 940 2HG GLN 18 1HG GLN 18 -2.718 25.011 -3.241 941 1HE2 GLN 18 1HE2 GLN 18 -4.568 24.480 -5.456 942 2HE2 GLN 18 2HE2 GLN 18 -3.727 24.809 -6.893 943 H VAL 19 H VAL 19 -0.853 22.947 0.330 944 HA VAL 19 HA VAL 19 1.413 23.368 1.249 945 HB VAL 19 HB VAL 19 0.233 21.748 2.459 946 1HG1 VAL 19 1HG1 VAL 19 -0.957 20.237 1.301 947 2HG1 VAL 19 2HG1 VAL 19 0.504 19.252 1.250 948 3HG1 VAL 19 3HG1 VAL 19 0.129 20.344 -0.084 949 1HG2 VAL 19 1HG2 VAL 19 2.827 20.465 1.594 950 2HG2 VAL 19 2HG2 VAL 19 1.821 19.821 2.878 951 3HG2 VAL 19 3HG2 VAL 19 2.526 21.425 3.037 952 H SER 20 H SER 20 2.036 20.247 -0.038 953 HA SER 20 HA SER 20 4.153 21.281 -1.799 954 1HB SER 20 2HB SER 20 4.297 19.773 0.684 955 2HB SER 20 1HB SER 20 4.993 18.855 -0.635 956 HG SER 20 HG SER 20 6.581 20.163 0.200 957 H VAL 21 H VAL 21 1.300 20.189 -2.041 958 HA VAL 21 HA VAL 21 0.708 17.728 -2.733 959 HB VAL 21 HB VAL 21 -0.253 18.604 -4.894 960 1HG1 VAL 21 1HG1 VAL 21 -1.458 20.586 -3.646 961 2HG1 VAL 21 2HG1 VAL 21 -0.590 19.955 -2.247 962 3HG1 VAL 21 3HG1 VAL 21 -1.714 18.921 -3.127 963 1HG2 VAL 21 1HG2 VAL 21 1.359 21.030 -4.069 964 2HG2 VAL 21 2HG2 VAL 21 0.018 21.110 -5.209 965 3HG2 VAL 21 3HG2 VAL 21 1.446 20.152 -5.596 966 H SER 22 H SER 22 2.984 19.670 -4.485 967 HA SER 22 HA SER 22 3.846 17.520 -6.301 968 1HB SER 22 2HB SER 22 4.026 19.793 -7.043 969 2HB SER 22 1HB SER 22 4.846 20.282 -5.562 970 HG SER 22 HG SER 22 6.635 19.780 -6.522 971 H LYS 23 H LYS 23 5.039 19.002 -3.308 972 HA LYS 23 HA LYS 23 7.366 17.249 -3.230 973 1HB LYS 23 2HB LYS 23 6.308 19.637 -1.920 974 2HB LYS 23 1HB LYS 23 7.227 18.582 -0.845 975 1HG LYS 23 2HG LYS 23 9.109 19.437 -1.726 976 2HG LYS 23 1HG LYS 23 8.675 18.693 -3.264 977 1HD LYS 23 2HD LYS 23 9.059 21.132 -3.505 978 2HD LYS 23 1HD LYS 23 7.396 20.691 -3.893 979 1HE LYS 23 2HE LYS 23 6.551 21.874 -2.134 980 2HE LYS 23 1HE LYS 23 7.845 21.340 -1.042 981 1HZ LYS 23 1HZ LYS 23 7.950 23.747 -1.669 982 2HZ LYS 23 2HZ LYS 23 8.272 23.260 -3.266 983 3HZ LYS 23 3HZ LYS 23 9.357 22.865 -2.018 984 H MET 24 H MET 24 4.245 17.502 -1.353 985 HA MET 24 HA MET 24 5.039 15.432 0.470 986 1HB MET 24 2HB MET 24 2.301 15.104 0.251 987 2HB MET 24 1HB MET 24 3.105 16.198 1.360 988 1HG MET 24 2HG MET 24 2.358 18.029 0.252 989 2HG MET 24 1HG MET 24 2.723 17.322 -1.320 990 1HE MET 24 1HE MET 24 0.791 14.632 -1.711 991 2HE MET 24 2HE MET 24 1.858 15.858 -2.388 992 3HE MET 24 3HE MET 24 0.144 15.871 -2.795 993 H LEU 25 H LEU 25 3.855 15.320 -2.875 994 HA LEU 25 HA LEU 25 3.393 12.418 -2.715 995 1HB LEU 25 2HB LEU 25 2.364 12.779 -4.701 996 2HB LEU 25 1HB LEU 25 2.561 14.482 -4.329 997 HG LEU 25 HG LEU 25 4.688 14.507 -5.588 998 1HD1 LEU 25 1HD1 LEU 25 4.442 12.125 -7.123 999 2HD1 LEU 25 2HD1 LEU 25 4.354 11.641 -5.435 1000 3HD1 LEU 25 3HD1 LEU 25 5.746 12.547 -6.017 1001 1HD2 LEU 25 1HD2 LEU 25 3.217 13.400 -7.755 1002 2HD2 LEU 25 2HD2 LEU 25 3.359 15.098 -7.304 1003 3HD2 LEU 25 3HD2 LEU 25 2.049 14.118 -6.650 1004 H ALA 26 H ALA 26 5.861 14.568 -4.195 1005 HA ALA 26 HA ALA 26 7.585 12.478 -5.128 1006 1HB ALA 26 1HB ALA 26 9.254 14.303 -5.169 1007 2HB ALA 26 2HB ALA 26 8.232 15.272 -4.108 1008 3HB ALA 26 3HB ALA 26 7.697 14.898 -5.746 1009 H SER 27 H SER 27 7.014 13.978 -2.039 1010 HA SER 27 HA SER 27 9.335 12.732 -0.723 1011 1HB SER 27 2HB SER 27 6.901 14.266 0.236 1012 2HB SER 27 1HB SER 27 8.227 13.763 1.278 1013 HG SER 27 HG SER 27 9.542 15.172 0.313 1014 H PHE 28 H PHE 28 5.878 12.233 -1.124 1015 HA PHE 28 HA PHE 28 5.373 10.251 0.842 1016 1HB PHE 28 2HB PHE 28 3.558 11.184 -0.318 1017 2HB PHE 28 1HB PHE 28 4.341 11.015 -1.877 1018 HD1 PHE 28 HD1 PHE 28 4.674 8.528 -2.768 1019 HD2 PHE 28 HD2 PHE 28 1.979 9.649 0.380 1020 HE1 PHE 28 HE1 PHE 28 3.311 6.546 -3.214 1021 HE2 PHE 28 HE2 PHE 28 0.623 7.664 -0.063 1022 HZ PHE 28 HZ PHE 28 1.285 6.082 -1.850 1023 H GLU 29 H GLU 29 6.455 9.822 -2.577 1024 HA GLU 29 HA GLU 29 6.875 6.985 -2.260 1025 1HB GLU 29 2HB GLU 29 6.725 8.378 -4.417 1026 2HB GLU 29 1HB GLU 29 8.394 8.852 -4.093 1027 1HG GLU 29 2HG GLU 29 8.481 6.148 -3.675 1028 2HG GLU 29 1HG GLU 29 7.313 6.278 -4.983 1029 H LYS 30 H LYS 30 8.727 9.916 -1.739 1030 HA LYS 30 HA LYS 30 11.245 8.658 -1.199 1031 1HB LYS 30 2HB LYS 30 10.702 11.117 -1.708 1032 2HB LYS 30 1HB LYS 30 10.213 11.239 -0.015 1033 1HG LYS 30 2HG LYS 30 12.391 10.639 0.760 1034 2HG LYS 30 1HG LYS 30 12.903 10.151 -0.856 1035 1HD LYS 30 2HD LYS 30 13.853 12.328 -0.440 1036 2HD LYS 30 1HD LYS 30 12.536 12.545 -1.594 1037 1HE LYS 30 2HE LYS 30 12.125 14.253 -0.015 1038 2HE LYS 30 1HE LYS 30 11.077 12.943 0.566 1039 1HZ LYS 30 1HZ LYS 30 13.886 13.348 1.439 1040 2HZ LYS 30 2HZ LYS 30 12.782 12.214 2.054 1041 3HZ LYS 30 3HZ LYS 30 12.536 13.873 2.320 1042 H ILE 31 H ILE 31 8.291 8.977 0.642 1043 HA ILE 31 HA ILE 31 9.796 8.100 3.063 1044 HB ILE 31 HB ILE 31 7.608 8.742 4.167 1045 1HG1 ILE 31 2HG1 ILE 31 6.882 10.795 2.402 1046 2HG1 ILE 31 1HG1 ILE 31 6.914 9.301 1.477 1047 1HG2 ILE 31 1HG2 ILE 31 9.798 9.973 4.192 1048 2HG2 ILE 31 2HG2 ILE 31 8.388 11.014 4.393 1049 3HG2 ILE 31 3HG2 ILE 31 9.201 10.921 2.830 1050 1HD1 ILE 31 1HD1 ILE 31 5.261 9.988 3.863 1051 2HD1 ILE 31 2HD1 ILE 31 5.699 8.304 3.576 1052 3HD1 ILE 31 3HD1 ILE 31 4.776 9.193 2.365 1053 H ILE 32 H ILE 32 7.401 7.246 0.767 1054 HA ILE 32 HA ILE 32 6.391 4.927 2.214 1055 HB ILE 32 HB ILE 32 6.353 5.622 -0.749 1056 1HG1 ILE 32 2HG1 ILE 32 5.143 7.007 1.398 1057 2HG1 ILE 32 1HG1 ILE 32 4.743 7.159 -0.308 1058 1HG2 ILE 32 1HG2 ILE 32 4.774 3.681 0.969 1059 2HG2 ILE 32 2HG2 ILE 32 5.814 3.305 -0.404 1060 3HG2 ILE 32 3HG2 ILE 32 4.285 4.144 -0.660 1061 1HD1 ILE 32 1HD1 ILE 32 3.063 5.421 -0.126 1062 2HD1 ILE 32 2HD1 ILE 32 2.761 6.645 1.108 1063 3HD1 ILE 32 3HD1 ILE 32 3.516 5.116 1.551 1064 H THR 33 H THR 33 8.351 5.371 -0.718 1065 HA THR 33 HA THR 33 9.336 2.667 -0.617 1066 HB THR 33 HB THR 33 9.346 4.999 -2.359 1067 HG1 THR 33 HG1 THR 33 8.969 3.469 -3.760 1068 1HG2 THR 33 1HG2 THR 33 11.721 5.120 -1.864 1069 2HG2 THR 33 2HG2 THR 33 11.495 4.475 -3.491 1070 3HG2 THR 33 3HG2 THR 33 11.897 3.390 -2.159 1071 H GLU 34 H GLU 34 10.419 5.848 0.561 1072 HA GLU 34 HA GLU 34 13.118 4.878 1.132 1073 1HB GLU 34 2HB GLU 34 11.530 7.325 1.898 1074 2HB GLU 34 1HB GLU 34 13.265 7.150 2.135 1075 1HG GLU 34 2HG GLU 34 11.889 6.887 -0.574 1076 2HG GLU 34 1HG GLU 34 12.689 8.359 -0.017 1077 H THR 35 H THR 35 10.003 5.065 2.925 1078 HA THR 35 HA THR 35 11.268 4.699 5.536 1079 HB THR 35 HB THR 35 8.491 4.213 4.438 1080 HG1 THR 35 HG1 THR 35 8.229 6.123 5.251 1081 1HG2 THR 35 1HG2 THR 35 9.783 3.148 6.890 1082 2HG2 THR 35 2HG2 THR 35 8.424 2.506 5.974 1083 3HG2 THR 35 3HG2 THR 35 8.176 3.836 7.106 1084 H VAL 36 H VAL 36 9.488 2.478 3.365 1085 HA VAL 36 HA VAL 36 10.073 0.036 4.636 1086 HB VAL 36 HB VAL 36 8.651 0.362 2.632 1087 1HG1 VAL 36 1HG1 VAL 36 11.201 0.653 1.054 1088 2HG1 VAL 36 2HG1 VAL 36 10.221 2.023 1.575 1089 3HG1 VAL 36 3HG1 VAL 36 9.546 0.828 0.471 1090 1HG2 VAL 36 1HG2 VAL 36 10.973 -1.540 2.289 1091 2HG2 VAL 36 2HG2 VAL 36 9.542 -1.571 1.262 1092 3HG2 VAL 36 3HG2 VAL 36 9.395 -1.901 2.987 1093 H ALA 37 H ALA 37 11.993 1.994 2.448 1094 HA ALA 37 HA ALA 37 14.284 0.233 2.393 1095 1HB ALA 37 1HB ALA 37 15.333 2.367 1.473 1096 2HB ALA 37 2HB ALA 37 13.772 3.132 1.740 1097 3HB ALA 37 3HB ALA 37 13.911 1.780 0.622 1098 H LYS 38 H LYS 38 13.216 2.905 4.437 1099 HA LYS 38 HA LYS 38 15.709 3.201 5.914 1100 1HB LYS 38 2HB LYS 38 13.199 4.468 5.739 1101 2HB LYS 38 1HB LYS 38 13.232 3.784 7.361 1102 1HG LYS 38 2HG LYS 38 14.192 5.957 7.566 1103 2HG LYS 38 1HG LYS 38 15.550 4.832 7.606 1104 1HD LYS 38 2HD LYS 38 16.060 6.706 6.109 1105 2HD LYS 38 1HD LYS 38 15.915 5.215 5.182 1106 1HE LYS 38 2HE LYS 38 14.327 6.205 3.904 1107 2HE LYS 38 1HE LYS 38 13.301 6.363 5.345 1108 1HZ LYS 38 1HZ LYS 38 13.748 8.549 4.537 1109 2HZ LYS 38 2HZ LYS 38 15.415 8.241 4.434 1110 3HZ LYS 38 3HZ LYS 38 14.657 8.339 5.952 1111 H GLY 39 H GLY 39 13.065 1.082 5.737 1112 1HA GLY 39 2HA GLY 39 13.166 -1.114 6.560 1113 2HA GLY 39 1HA GLY 39 14.262 -0.565 7.828 1114 H ASP 40 H ASP 40 11.299 1.127 6.997 1115 HA ASP 40 HA ASP 40 10.188 0.273 9.663 1116 1HB ASP 40 2HB ASP 40 10.798 2.838 8.520 1117 2HB ASP 40 1HB ASP 40 9.054 2.734 8.767 1118 H LYS 41 H LYS 41 7.897 -0.082 9.742 1119 HA LYS 41 HA LYS 41 6.735 -0.893 7.139 1120 1HB LYS 41 2HB LYS 41 6.041 -1.359 10.052 1121 2HB LYS 41 1HB LYS 41 5.068 -1.979 8.718 1122 1HG LYS 41 2HG LYS 41 6.440 -3.792 8.884 1123 2HG LYS 41 1HG LYS 41 7.549 -2.794 7.944 1124 1HD LYS 41 2HD LYS 41 8.735 -3.665 9.882 1125 2HD LYS 41 1HD LYS 41 8.510 -1.928 10.085 1126 1HE LYS 41 2HE LYS 41 6.195 -3.165 11.180 1127 2HE LYS 41 1HE LYS 41 7.601 -4.047 11.810 1128 1HZ LYS 41 1HZ LYS 41 7.246 -1.095 11.793 1129 2HZ LYS 41 2HZ LYS 41 8.647 -1.904 12.310 1130 3HZ LYS 41 3HZ LYS 41 7.188 -2.098 13.160 1131 H VAL 42 H VAL 42 6.115 1.204 6.324 1132 HA VAL 42 HA VAL 42 4.451 3.019 7.883 1133 HB VAL 42 HB VAL 42 5.972 3.711 6.054 1134 1HG1 VAL 42 1HG1 VAL 42 4.561 1.595 4.659 1135 2HG1 VAL 42 2HG1 VAL 42 6.048 2.426 4.207 1136 3HG1 VAL 42 3HG1 VAL 42 4.487 3.102 3.743 1137 1HG2 VAL 42 1HG2 VAL 42 3.014 4.210 5.720 1138 2HG2 VAL 42 2HG2 VAL 42 4.207 5.016 4.704 1139 3HG2 VAL 42 3HG2 VAL 42 4.226 5.262 6.450 1140 H GLN 43 H GLN 43 2.149 3.386 7.520 1141 HA GLN 43 HA GLN 43 0.681 1.467 5.816 1142 1HB GLN 43 2HB GLN 43 -0.583 0.611 7.805 1143 2HB GLN 43 1HB GLN 43 1.129 0.191 7.848 1144 1HG GLN 43 2HG GLN 43 1.604 1.926 9.432 1145 2HG GLN 43 1HG GLN 43 0.004 2.639 9.225 1146 1HE2 GLN 43 1HE2 GLN 43 1.751 0.696 11.310 1147 2HE2 GLN 43 2HE2 GLN 43 0.469 -0.153 12.027 1148 H LEU 44 H LEU 44 -1.782 1.811 6.232 1149 HA LEU 44 HA LEU 44 -2.323 4.694 6.844 1150 1HB LEU 44 2HB LEU 44 -3.676 3.049 4.689 1151 2HB LEU 44 1HB LEU 44 -3.728 4.795 4.896 1152 HG LEU 44 HG LEU 44 -1.254 3.191 4.177 1153 1HD1 LEU 44 1HD1 LEU 44 -3.054 5.001 2.548 1154 2HD1 LEU 44 2HD1 LEU 44 -2.788 3.299 2.287 1155 3HD1 LEU 44 3HD1 LEU 44 -1.485 4.439 2.001 1156 1HD2 LEU 44 1HD2 LEU 44 -0.060 5.181 4.217 1157 2HD2 LEU 44 2HD2 LEU 44 -1.183 5.463 5.547 1158 3HD2 LEU 44 3HD2 LEU 44 -1.498 6.168 3.964 1159 H THR 45 H THR 45 -3.677 4.729 8.588 1160 HA THR 45 HA THR 45 -5.122 3.788 10.257 1161 HB THR 45 HB THR 45 -6.515 5.264 9.052 1162 HG1 THR 45 HG1 THR 45 -8.289 4.312 9.593 1163 1HG2 THR 45 1HG2 THR 45 -5.959 4.996 6.794 1164 2HG2 THR 45 2HG2 THR 45 -7.603 4.361 6.846 1165 3HG2 THR 45 3HG2 THR 45 -6.234 3.258 6.836 1166 H GLY 46 H GLY 46 -7.111 2.075 8.000 1167 1HA GLY 46 2HA GLY 46 -5.847 -0.502 8.791 1168 2HA GLY 46 1HA GLY 46 -7.580 -0.262 9.012 1169 H PHE 47 H PHE 47 -5.230 0.317 6.340 1170 HA PHE 47 HA PHE 47 -6.697 -1.537 4.640 1171 1HB PHE 47 2HB PHE 47 -7.629 0.015 3.129 1172 2HB PHE 47 1HB PHE 47 -8.012 0.642 4.721 1173 HD1 PHE 47 HD1 PHE 47 -7.298 2.775 5.389 1174 HD2 PHE 47 HD2 PHE 47 -5.624 0.991 1.867 1175 HE1 PHE 47 HE1 PHE 47 -6.208 4.922 4.821 1176 HE2 PHE 47 HE2 PHE 47 -4.540 3.140 1.299 1177 HZ PHE 47 HZ PHE 47 -4.836 5.101 2.776 1178 H LEU 48 H LEU 48 -4.007 0.660 5.122 1179 HA LEU 48 HA LEU 48 -2.579 -0.880 3.010 1180 1HB LEU 48 2HB LEU 48 -3.063 1.993 3.323 1181 2HB LEU 48 1HB LEU 48 -1.379 1.605 3.011 1182 HG LEU 48 HG LEU 48 -3.736 1.404 1.218 1183 1HD1 LEU 48 1HD1 LEU 48 -1.048 2.411 1.209 1184 2HD1 LEU 48 2HD1 LEU 48 -2.337 2.696 0.043 1185 3HD1 LEU 48 3HD1 LEU 48 -1.260 1.317 -0.160 1186 1HD2 LEU 48 1HD2 LEU 48 -1.836 -0.877 1.566 1187 2HD2 LEU 48 2HD2 LEU 48 -2.247 -0.426 -0.077 1188 3HD2 LEU 48 3HD2 LEU 48 -3.513 -0.902 1.052 1189 H ASN 49 H ASN 49 -0.417 -1.427 3.523 1190 HA ASN 49 HA ASN 49 0.865 -0.461 6.005 1191 1HB ASN 49 2HB ASN 49 -0.925 -2.686 5.815 1192 2HB ASN 49 1HB ASN 49 0.693 -3.308 6.130 1193 1HD2 ASN 49 1HD2 ASN 49 1.827 -2.439 8.099 1194 2HD2 ASN 49 2HD2 ASN 49 0.911 -1.839 9.395 1195 H ILE 50 H ILE 50 2.674 -0.012 4.464 1196 HA ILE 50 HA ILE 50 3.777 -2.249 2.912 1197 HB ILE 50 HB ILE 50 3.877 0.624 3.005 1198 1HG1 ILE 50 2HG1 ILE 50 3.362 -0.802 1.032 1199 2HG1 ILE 50 1HG1 ILE 50 4.655 0.348 0.697 1200 1HG2 ILE 50 1HG2 ILE 50 6.225 1.007 2.525 1201 2HG2 ILE 50 2HG2 ILE 50 6.578 -0.696 2.821 1202 3HG2 ILE 50 3HG2 ILE 50 6.029 0.334 4.144 1203 1HD1 ILE 50 1HD1 ILE 50 6.319 -1.452 1.208 1204 2HD1 ILE 50 2HD1 ILE 50 5.295 -1.833 -0.176 1205 3HD1 ILE 50 3HD1 ILE 50 4.981 -2.587 1.388 1206 H LYS 51 H LYS 51 5.748 -3.341 3.380 1207 HA LYS 51 HA LYS 51 7.383 -2.547 5.678 1208 1HB LYS 51 2HB LYS 51 6.764 -4.661 6.969 1209 2HB LYS 51 1HB LYS 51 5.528 -3.407 6.923 1210 1HG LYS 51 2HG LYS 51 4.111 -4.668 5.660 1211 2HG LYS 51 1HG LYS 51 5.419 -5.343 4.692 1212 1HD LYS 51 2HD LYS 51 4.911 -6.147 7.566 1213 2HD LYS 51 1HD LYS 51 4.224 -7.010 6.189 1214 1HE LYS 51 2HE LYS 51 6.359 -7.697 5.406 1215 2HE LYS 51 1HE LYS 51 7.202 -6.501 6.409 1216 1HZ LYS 51 1HZ LYS 51 5.980 -7.698 8.332 1217 2HZ LYS 51 2HZ LYS 51 7.380 -8.406 7.679 1218 3HZ LYS 51 3HZ LYS 51 5.845 -8.985 7.235 1219 HA PRO 52 HA PRO 52 9.823 -5.253 3.100 1220 1HB PRO 52 2HB PRO 52 12.245 -4.283 3.861 1221 2HB PRO 52 1HB PRO 52 11.188 -3.427 2.724 1222 1HG PRO 52 2HG PRO 52 11.821 -2.807 5.513 1223 2HG PRO 52 1HG PRO 52 11.216 -1.765 4.230 1224 1HD PRO 52 2HD PRO 52 9.730 -2.941 6.358 1225 2HD PRO 52 1HD PRO 52 9.123 -1.925 5.033 1226 H VAL 53 H VAL 53 10.972 -7.130 3.488 1227 HA VAL 53 HA VAL 53 11.725 -7.712 6.303 1228 HB VAL 53 HB VAL 53 10.737 -9.944 6.019 1229 1HG1 VAL 53 1HG1 VAL 53 8.685 -7.907 5.135 1230 2HG1 VAL 53 2HG1 VAL 53 9.403 -7.843 6.745 1231 3HG1 VAL 53 3HG1 VAL 53 8.472 -9.257 6.250 1232 1HG2 VAL 53 1HG2 VAL 53 10.135 -8.852 3.272 1233 2HG2 VAL 53 2HG2 VAL 53 9.204 -10.180 3.951 1234 3HG2 VAL 53 3HG2 VAL 53 10.937 -10.364 3.683 1235 H ALA 54 H ALA 54 13.830 -8.003 6.291 1236 HA ALA 54 HA ALA 54 15.627 -8.305 4.224 1237 1HB ALA 54 1HB ALA 54 16.962 -9.614 6.066 1238 2HB ALA 54 2HB ALA 54 15.559 -9.254 7.073 1239 3HB ALA 54 3HB ALA 54 16.497 -7.939 6.363 1240 H ARG 55 H ARG 55 15.554 -9.754 2.578 1241 HA ARG 55 HA ARG 55 15.487 -12.656 3.235 1242 1HB ARG 55 2HB ARG 55 13.592 -11.101 1.460 1243 2HB ARG 55 1HB ARG 55 13.836 -12.833 1.244 1244 1HG ARG 55 2HG ARG 55 13.049 -11.581 3.888 1245 2HG ARG 55 1HG ARG 55 11.884 -12.226 2.734 1246 1HD ARG 55 2HD ARG 55 14.153 -13.819 3.986 1247 2HD ARG 55 1HD ARG 55 12.443 -13.928 4.445 1248 HE ARG 55 HE ARG 55 12.081 -14.485 1.930 1249 1HH1 ARG 55 2HH1 ARG 55 15.130 -14.400 1.513 1250 2HH1 ARG 55 1HH1 ARG 55 15.499 -16.092 1.515 1251 1HH2 ARG 55 1HH2 ARG 55 12.457 -17.024 2.892 1252 2HH2 ARG 55 2HH2 ARG 55 13.985 -17.578 2.294 1253 H GLN 56 H GLN 56 17.789 -12.426 2.621 1254 HA GLN 56 HA GLN 56 18.710 -11.371 0.144 1255 1HB GLN 56 2HB GLN 56 20.702 -12.758 0.646 1256 2HB GLN 56 1HB GLN 56 20.116 -11.932 2.088 1257 1HG GLN 56 2HG GLN 56 18.778 -14.483 1.792 1258 2HG GLN 56 1HG GLN 56 20.527 -14.707 1.771 1259 1HE2 GLN 56 1HE2 GLN 56 17.825 -14.130 3.825 1260 2HE2 GLN 56 2HE2 GLN 56 18.692 -13.802 5.247 1261 H ALA 57 H ALA 57 20.135 -13.711 -0.901 1262 HA ALA 57 HA ALA 57 18.046 -15.596 -1.769 1263 1HB ALA 57 1HB ALA 57 18.515 -14.832 -4.198 1264 2HB ALA 57 2HB ALA 57 19.217 -13.390 -3.469 1265 3HB ALA 57 3HB ALA 57 17.520 -13.775 -3.201 1266 H ARG 58 H ARG 58 19.039 -17.065 -3.559 1267 HA ARG 58 HA ARG 58 21.190 -18.553 -2.664 1268 1HB ARG 58 2HB ARG 58 20.249 -19.664 -4.392 1269 2HB ARG 58 1HB ARG 58 19.589 -18.177 -5.058 1270 1HG ARG 58 2HG ARG 58 21.027 -19.087 -6.726 1271 2HG ARG 58 1HG ARG 58 21.896 -17.727 -6.021 1272 1HD ARG 58 2HD ARG 58 23.581 -19.278 -5.851 1273 2HD ARG 58 1HD ARG 58 22.708 -19.736 -4.377 1274 HE ARG 58 HE ARG 58 22.790 -21.289 -6.829 1275 1HH1 ARG 58 1HH2 ARG 58 22.242 -21.903 -3.766 1276 2HH1 ARG 58 2HH2 ARG 58 20.692 -22.662 -3.915 1277 1HH2 ARG 58 2HH1 ARG 58 20.194 -21.608 -7.179 1278 2HH2 ARG 58 1HH1 ARG 58 19.533 -22.496 -5.847 1279 H LYS 59 H LYS 59 23.420 -18.623 -3.094 1280 HA LYS 59 HA LYS 59 24.858 -17.011 -4.940 1281 1HB LYS 59 2HB LYS 59 25.745 -15.294 -3.347 1282 2HB LYS 59 1HB LYS 59 24.015 -15.133 -3.623 1283 1HG LYS 59 2HG LYS 59 23.510 -15.617 -1.466 1284 2HG LYS 59 1HG LYS 59 24.666 -16.947 -1.403 1285 1HD LYS 59 2HD LYS 59 26.381 -15.604 -0.656 1286 2HD LYS 59 1HD LYS 59 25.779 -14.182 -1.508 1287 1HE LYS 59 2HE LYS 59 24.188 -13.698 0.171 1288 2HE LYS 59 1HE LYS 59 24.260 -15.342 0.835 1289 1HZ LYS 59 1HZ LYS 59 26.413 -13.296 0.888 1290 2HZ LYS 59 2HZ LYS 59 26.641 -14.921 1.329 1291 3HZ LYS 59 3HZ LYS 59 25.583 -13.936 2.221 1292 H GLY 60 H GLY 60 25.642 -19.317 -4.819 1293 1HA GLY 60 2HA GLY 60 27.753 -19.566 -2.712 1294 2HA GLY 60 1HA GLY 60 26.790 -20.952 -3.219 1295 H PHE 61 H PHE 61 27.407 -22.075 -5.043 1296 HA PHE 61 HA PHE 61 28.945 -21.091 -7.228 1297 1HB PHE 61 2HB PHE 61 31.159 -22.234 -6.444 1298 2HB PHE 61 1HB PHE 61 30.758 -20.659 -5.756 1299 HD1 PHE 61 HD1 PHE 61 30.616 -20.408 -3.444 1300 HD2 PHE 61 HD2 PHE 61 30.264 -24.330 -5.142 1301 HE1 PHE 61 HE1 PHE 61 30.601 -21.380 -1.177 1302 HE2 PHE 61 HE2 PHE 61 30.261 -25.297 -2.878 1303 HZ PHE 61 HZ PHE 61 30.423 -23.833 -0.883 1304 H ASN 62 H ASN 62 30.191 -23.121 -8.311 1305 HA ASN 62 HA ASN 62 28.321 -25.435 -8.043 1306 1HB ASN 62 2HB ASN 62 28.120 -24.663 -10.203 1307 2HB ASN 62 1HB ASN 62 29.783 -24.093 -10.271 1308 1HD2 ASN 62 1HD2 ASN 62 28.285 -27.327 -9.645 1309 2HD2 ASN 62 2HD2 ASN 62 29.230 -28.146 -10.793 1310 HA PRO 63 HA PRO 63 32.537 -27.648 -8.611 1311 1HB PRO 63 2HB PRO 63 34.821 -26.129 -8.626 1312 2HB PRO 63 1HB PRO 63 33.918 -26.544 -10.098 1313 1HG PRO 63 2HG PRO 63 33.868 -24.028 -8.498 1314 2HG PRO 63 1HG PRO 63 33.879 -24.245 -10.256 1315 1HD PRO 63 2HD PRO 63 31.628 -23.666 -8.889 1316 2HD PRO 63 1HD PRO 63 31.615 -24.675 -10.352 1317 H GLN 64 H GLN 64 31.371 -27.431 -6.335 1318 HA GLN 64 HA GLN 64 33.347 -27.679 -4.282 1319 1HB GLN 64 2HB GLN 64 32.278 -25.021 -4.908 1320 2HB GLN 64 1HB GLN 64 32.083 -25.467 -3.215 1321 1HG GLN 64 2HG GLN 64 34.659 -26.301 -3.745 1322 2HG GLN 64 1HG GLN 64 34.530 -24.818 -4.693 1323 1HE2 GLN 64 1HE2 GLN 64 35.019 -22.959 -3.528 1324 2HE2 GLN 64 2HE2 GLN 64 34.854 -22.787 -1.846 1325 H THR 65 H THR 65 31.008 -29.034 -5.321 1326 HA THR 65 HA THR 65 29.077 -30.149 -4.575 1327 HB THR 65 HB THR 65 29.251 -30.920 -2.342 1328 HG1 THR 65 HG1 THR 65 30.920 -28.786 -1.601 1329 1HG2 THR 65 1HG2 THR 65 31.394 -31.724 -2.322 1330 2HG2 THR 65 2HG2 THR 65 32.107 -30.128 -2.559 1331 3HG2 THR 65 3HG2 THR 65 31.425 -31.001 -3.931 1332 H GLN 66 H GLN 66 28.346 -27.669 -5.367 1333 HA GLN 66 HA GLN 66 26.254 -26.959 -3.414 1334 1HB GLN 66 2HB GLN 66 28.710 -25.625 -3.570 1335 2HB GLN 66 1HB GLN 66 27.540 -24.538 -4.295 1336 1HG GLN 66 2HG GLN 66 26.827 -23.979 -2.239 1337 2HG GLN 66 1HG GLN 66 26.273 -25.634 -2.016 1338 1HE2 GLN 66 1HE2 GLN 66 29.100 -26.730 -2.125 1339 2HE2 GLN 66 2HE2 GLN 66 29.800 -26.299 -0.644 1340 H GLU 67 H GLU 67 26.863 -24.454 -5.621 1341 HA GLU 67 HA GLU 67 25.754 -25.368 -8.067 1342 1HB GLU 67 2HB GLU 67 23.416 -24.469 -7.732 1343 2HB GLU 67 1HB GLU 67 23.763 -25.887 -6.747 1344 1HG GLU 67 2HG GLU 67 24.533 -24.050 -4.983 1345 2HG GLU 67 1HG GLU 67 23.434 -23.031 -5.914 1346 H ALA 68 H ALA 68 27.203 -23.804 -8.924 1347 HA ALA 68 HA ALA 68 27.329 -21.083 -7.945 1348 1HB ALA 68 1HB ALA 68 29.290 -21.702 -8.993 1349 2HB ALA 68 2HB ALA 68 28.484 -20.944 -10.361 1350 3HB ALA 68 3HB ALA 68 28.454 -22.693 -10.184 1351 H LEU 69 H LEU 69 25.418 -20.063 -8.045 1352 HA LEU 69 HA LEU 69 24.281 -19.605 -10.779 1353 1HB LEU 69 2HB LEU 69 22.581 -19.996 -8.304 1354 2HB LEU 69 1HB LEU 69 22.091 -20.117 -9.993 1355 HG LEU 69 HG LEU 69 24.010 -22.015 -8.609 1356 1HD1 LEU 69 1HD1 LEU 69 21.078 -21.996 -8.905 1357 2HD1 LEU 69 2HD1 LEU 69 22.088 -22.834 -7.727 1358 3HD1 LEU 69 3HD1 LEU 69 21.862 -23.514 -9.338 1359 1HD2 LEU 69 1HD2 LEU 69 24.425 -22.935 -10.631 1360 2HD2 LEU 69 2HD2 LEU 69 23.755 -21.453 -11.311 1361 3HD2 LEU 69 3HD2 LEU 69 22.726 -22.869 -11.096 1362 H GLU 70 H GLU 70 22.088 -18.048 -9.262 1363 HA GLU 70 HA GLU 70 23.287 -15.928 -7.751 1364 1HB GLU 70 2HB GLU 70 23.326 -14.220 -9.622 1365 2HB GLU 70 1HB GLU 70 24.537 -15.487 -9.803 1366 1HG GLU 70 2HG GLU 70 23.515 -16.390 -11.640 1367 2HG GLU 70 1HG GLU 70 21.894 -16.044 -11.033 1368 H ILE 71 H ILE 71 21.732 -14.114 -7.493 1369 HA ILE 71 HA ILE 71 19.046 -14.309 -8.646 1370 HB ILE 71 HB ILE 71 18.327 -14.609 -6.107 1371 1HG1 ILE 71 2HG1 ILE 71 19.827 -16.114 -4.917 1372 2HG1 ILE 71 1HG1 ILE 71 20.985 -16.037 -6.230 1373 1HG2 ILE 71 1HG2 ILE 71 18.157 -16.172 -8.267 1374 2HG2 ILE 71 2HG2 ILE 71 17.710 -16.755 -6.664 1375 3HG2 ILE 71 3HG2 ILE 71 19.297 -17.137 -7.330 1376 1HD1 ILE 71 1HD1 ILE 71 21.737 -13.971 -5.613 1377 2HD1 ILE 71 2HD1 ILE 71 21.071 -14.414 -4.043 1378 3HD1 ILE 71 3HD1 ILE 71 20.130 -13.422 -5.147 1379 H ALA 72 H ALA 72 17.872 -12.960 -6.336 1380 HA ALA 72 HA ALA 72 19.391 -10.391 -6.434 1381 1HB ALA 72 1HB ALA 72 17.553 -10.139 -7.870 1382 2HB ALA 72 2HB ALA 72 16.961 -9.461 -6.354 1383 3HB ALA 72 3HB ALA 72 16.500 -11.096 -6.829 1384 HA PRO 73 HA PRO 73 18.778 -11.299 -1.970 1385 1HB PRO 73 2HB PRO 73 21.138 -10.154 -1.193 1386 2HB PRO 73 1HB PRO 73 21.026 -11.835 -1.748 1387 1HG PRO 73 2HG PRO 73 21.928 -9.413 -3.227 1388 2HG PRO 73 1HG PRO 73 22.580 -11.058 -3.254 1389 1HD PRO 73 2HD PRO 73 20.975 -10.063 -5.211 1390 2HD PRO 73 1HD PRO 73 21.041 -11.786 -4.784 1391 H SER 74 H SER 74 17.451 -9.785 -0.991 1392 HA SER 74 HA SER 74 18.251 -7.041 -0.544 1393 1HB SER 74 2HB SER 74 16.601 -7.800 -2.911 1394 2HB SER 74 1HB SER 74 16.108 -6.355 -2.031 1395 HG SER 74 HG SER 74 18.650 -6.927 -3.164 1396 H VAL 75 H VAL 75 16.277 -5.797 0.411 1397 HA VAL 75 HA VAL 75 15.092 -7.274 2.511 1398 HB VAL 75 HB VAL 75 15.160 -4.626 1.513 1399 1HG1 VAL 75 1HG1 VAL 75 12.884 -3.829 1.716 1400 2HG1 VAL 75 2HG1 VAL 75 12.311 -5.445 2.126 1401 3HG1 VAL 75 3HG1 VAL 75 12.915 -5.110 0.504 1402 1HG2 VAL 75 1HG2 VAL 75 14.546 -4.043 3.757 1403 2HG2 VAL 75 2HG2 VAL 75 15.494 -5.527 3.858 1404 3HG2 VAL 75 3HG2 VAL 75 13.737 -5.592 4.001 1405 H GLY 76 H GLY 76 12.557 -7.487 2.713 1406 1HA GLY 76 2HA GLY 76 11.585 -8.708 0.153 1407 2HA GLY 76 1HA GLY 76 11.167 -9.331 1.749 1408 H VAL 77 H VAL 77 11.147 -6.111 0.253 1409 HA VAL 77 HA VAL 77 9.165 -4.793 1.570 1410 HB VAL 77 HB VAL 77 9.537 -5.008 -1.438 1411 1HG1 VAL 77 1HG1 VAL 77 8.290 -3.094 -1.705 1412 2HG1 VAL 77 2HG1 VAL 77 8.689 -2.483 -0.105 1413 3HG1 VAL 77 3HG1 VAL 77 7.471 -3.742 -0.285 1414 1HG2 VAL 77 1HG2 VAL 77 11.625 -4.323 -0.761 1415 2HG2 VAL 77 2HG2 VAL 77 11.030 -3.659 0.759 1416 3HG2 VAL 77 3HG2 VAL 77 10.823 -2.754 -0.738 1417 H SER 78 H SER 78 7.637 -6.322 2.400 1418 HA SER 78 HA SER 78 5.933 -8.002 0.827 1419 1HB SER 78 2HB SER 78 6.334 -7.672 3.426 1420 2HB SER 78 1HB SER 78 4.990 -6.544 3.288 1421 HG SER 78 HG SER 78 3.821 -8.289 2.275 1422 H VAL 79 H VAL 79 3.477 -6.273 2.140 1423 HA VAL 79 HA VAL 79 3.453 -4.233 -0.036 1424 HB VAL 79 HB VAL 79 1.208 -4.890 -0.700 1425 1HG1 VAL 79 1HG1 VAL 79 1.754 -6.933 -1.804 1426 2HG1 VAL 79 2HG1 VAL 79 2.882 -7.405 -0.534 1427 3HG1 VAL 79 3HG1 VAL 79 3.279 -6.069 -1.615 1428 1HG2 VAL 79 1HG2 VAL 79 0.117 -5.688 1.181 1429 2HG2 VAL 79 2HG2 VAL 79 1.494 -6.657 1.707 1430 3HG2 VAL 79 3HG2 VAL 79 0.484 -7.213 0.373 1431 H LYS 80 H LYS 80 1.100 -3.281 0.112 1432 HA LYS 80 HA LYS 80 0.991 -1.972 2.709 1433 1HB LYS 80 2HB LYS 80 1.330 -0.997 0.337 1434 2HB LYS 80 1HB LYS 80 -0.417 -1.148 0.235 1435 1HG LYS 80 2HG LYS 80 0.030 1.050 1.024 1436 2HG LYS 80 1HG LYS 80 -0.532 0.135 2.409 1437 1HD LYS 80 2HD LYS 80 1.324 0.753 3.476 1438 2HD LYS 80 1HD LYS 80 2.225 -0.243 2.338 1439 1HE LYS 80 2HE LYS 80 3.171 1.627 1.461 1440 2HE LYS 80 1HE LYS 80 1.560 2.232 1.031 1441 1HZ LYS 80 1HZ LYS 80 2.830 3.629 2.675 1442 2HZ LYS 80 2HZ LYS 80 2.642 2.359 3.788 1443 3HZ LYS 80 3HZ LYS 80 1.277 3.157 3.168 1444 HA PRO 81 HA PRO 81 -3.684 -2.700 1.671 1445 1HB PRO 81 2HB PRO 81 -4.154 -4.971 0.172 1446 2HB PRO 81 1HB PRO 81 -4.057 -3.322 -0.486 1447 1HG PRO 81 2HG PRO 81 -1.915 -5.407 -0.308 1448 2HG PRO 81 1HG PRO 81 -2.374 -4.389 -1.685 1449 1HD PRO 81 2HD PRO 81 -0.273 -3.721 -0.218 1450 2HD PRO 81 1HD PRO 81 -1.406 -2.448 -0.716 1451 H GLY 82 H GLY 82 -4.891 -3.641 3.166 1452 1HA GLY 82 2HA GLY 82 -4.072 -6.247 4.348 1453 2HA GLY 82 1HA GLY 82 -4.364 -4.850 5.399 1454 H GLU 83 H GLU 83 -6.464 -3.657 4.774 1455 HA GLU 83 HA GLU 83 -8.661 -5.685 4.596 1456 1HB GLU 83 2HB GLU 83 -8.216 -3.460 6.234 1457 2HB GLU 83 1HB GLU 83 -9.372 -2.875 5.031 1458 1HG GLU 83 2HG GLU 83 -10.854 -4.715 5.456 1459 2HG GLU 83 1HG GLU 83 -9.676 -5.480 6.522 1460 H SER 84 H SER 84 -7.228 -5.244 2.381 1461 HA SER 84 HA SER 84 -7.242 -3.991 0.268 1462 1HB SER 84 2HB SER 84 -8.482 -6.437 0.726 1463 2HB SER 84 1HB SER 84 -9.656 -5.540 -0.232 1464 HG SER 84 HG SER 84 -6.912 -5.955 -0.849 1465 H LEU 85 H LEU 85 -8.414 -2.212 2.074 1466 HA LEU 85 HA LEU 85 -10.534 -0.973 2.322 1467 1HB LEU 85 2HB LEU 85 -10.044 -0.412 -0.600 1468 2HB LEU 85 1HB LEU 85 -10.439 0.724 0.686 1469 HG LEU 85 HG LEU 85 -7.991 -0.276 1.497 1470 1HD1 LEU 85 1HD1 LEU 85 -6.788 -0.993 -0.259 1471 2HD1 LEU 85 2HD1 LEU 85 -7.141 0.492 -1.144 1472 3HD1 LEU 85 3HD1 LEU 85 -8.236 -0.884 -1.258 1473 1HD2 LEU 85 1HD2 LEU 85 -8.829 2.189 -0.025 1474 2HD2 LEU 85 2HD2 LEU 85 -7.159 1.964 0.488 1475 3HD2 LEU 85 3HD2 LEU 85 -8.448 2.036 1.690 1476 H LYS 86 H LYS 86 -10.491 -3.748 1.515 1477 HA LYS 86 HA LYS 86 -12.177 -4.670 -0.522 1478 1HB LYS 86 2HB LYS 86 -10.829 -5.498 1.832 1479 2HB LYS 86 1HB LYS 86 -12.517 -5.863 2.162 1480 1HG LYS 86 2HG LYS 86 -12.651 -7.410 0.409 1481 2HG LYS 86 1HG LYS 86 -11.276 -6.702 -0.445 1482 1HD LYS 86 2HD LYS 86 -9.804 -7.423 1.470 1483 2HD LYS 86 1HD LYS 86 -11.188 -8.273 2.150 1484 1HE LYS 86 2HE LYS 86 -10.571 -8.847 -0.714 1485 2HE LYS 86 1HE LYS 86 -9.450 -9.502 0.497 1486 1HZ LYS 86 1HZ LYS 86 -11.354 -10.369 1.725 1487 2HZ LYS 86 2HZ LYS 86 -11.299 -11.018 0.156 1488 3HZ LYS 86 3HZ LYS 86 -12.408 -9.787 0.532 1489 H LYS 87 H LYS 87 -12.581 -3.255 2.544 1490 HA LYS 87 HA LYS 87 -15.414 -3.278 2.836 1491 1HB LYS 87 2HB LYS 87 -13.451 -2.980 4.481 1492 2HB LYS 87 1HB LYS 87 -13.280 -1.353 3.822 1493 1HG LYS 87 2HG LYS 87 -15.975 -2.268 4.816 1494 2HG LYS 87 1HG LYS 87 -14.763 -1.721 5.974 1495 1HD LYS 87 2HD LYS 87 -14.779 0.151 3.826 1496 2HD LYS 87 1HD LYS 87 -16.458 -0.132 4.286 1497 1HE LYS 87 2HE LYS 87 -14.592 0.176 6.568 1498 2HE LYS 87 1HE LYS 87 -14.835 1.635 5.586 1499 1HZ LYS 87 1HZ LYS 87 -16.948 -0.078 6.780 1500 2HZ LYS 87 2HZ LYS 87 -17.251 1.183 5.683 1501 3HZ LYS 87 3HZ LYS 87 -16.579 1.521 7.207 1502 H ALA 88 H ALA 88 -12.955 -1.137 1.448 1503 HA ALA 88 HA ALA 88 -14.930 0.912 0.685 1504 1HB ALA 88 1HB ALA 88 -13.003 2.049 -0.081 1505 2HB ALA 88 2HB ALA 88 -12.134 0.545 -0.386 1506 3HB ALA 88 3HB ALA 88 -12.398 1.093 1.269 1507 H ALA 89 H ALA 89 -13.458 -1.945 -0.627 1508 HA ALA 89 HA ALA 89 -14.072 -1.451 -3.401 1509 1HB ALA 89 1HB ALA 89 -13.726 -3.999 -3.441 1510 2HB ALA 89 2HB ALA 89 -13.478 -3.877 -1.703 1511 3HB ALA 89 3HB ALA 89 -12.388 -3.043 -2.810 1512 H GLU 90 H GLU 90 -15.754 -3.217 -0.801 1513 HA GLU 90 HA GLU 90 -18.018 -4.000 -2.374 1514 1HB GLU 90 2HB GLU 90 -18.884 -4.628 -0.301 1515 2HB GLU 90 1HB GLU 90 -17.190 -4.458 0.148 1516 1HG GLU 90 2HG GLU 90 -17.850 -1.963 0.631 1517 2HG GLU 90 1HG GLU 90 -19.490 -2.604 0.705 1518 H GLY 91 H GLY 91 -16.929 -1.010 -0.916 1519 1HA GLY 91 2HA GLY 91 -19.346 0.505 -1.057 1520 2HA GLY 91 1HA GLY 91 -17.719 1.182 -1.075 1521 H LEU 92 H LEU 92 -16.794 -0.091 -3.572 1522 HA LEU 92 HA LEU 92 -18.084 1.766 -5.446 1523 1HB LEU 92 2HB LEU 92 -16.312 1.148 -6.890 1524 2HB LEU 92 1HB LEU 92 -15.615 1.005 -5.288 1525 HG LEU 92 HG LEU 92 -16.731 -1.501 -5.698 1526 1HD1 LEU 92 1HD1 LEU 92 -17.083 -1.585 -7.956 1527 2HD1 LEU 92 2HD1 LEU 92 -15.343 -1.858 -8.010 1528 3HD1 LEU 92 3HD1 LEU 92 -15.990 -0.240 -8.278 1529 1HD2 LEU 92 1HD2 LEU 92 -13.932 -1.205 -6.581 1530 2HD2 LEU 92 2HD2 LEU 92 -14.599 -2.142 -5.246 1531 3HD2 LEU 92 3HD2 LEU 92 -14.293 -0.422 -5.044 1532 H LYS 93 H LYS 93 -19.547 -0.784 -4.323 1533 HA LYS 93 HA LYS 93 -21.065 -2.379 -5.212 1534 1HB LYS 93 2HB LYS 93 -20.842 -0.329 -7.450 1535 2HB LYS 93 1HB LYS 93 -22.025 -1.636 -7.453 1536 1HG LYS 93 2HG LYS 93 -23.339 -0.115 -6.380 1537 2HG LYS 93 1HG LYS 93 -22.420 -0.612 -4.959 1538 1HD LYS 93 2HD LYS 93 -21.032 1.274 -5.035 1539 2HD LYS 93 1HD LYS 93 -21.373 1.575 -6.739 1540 1HE LYS 93 2HE LYS 93 -23.523 2.467 -6.271 1541 2HE LYS 93 1HE LYS 93 -23.540 1.782 -4.634 1542 1HZ LYS 93 1HZ LYS 93 -21.725 3.902 -5.656 1543 2HZ LYS 93 2HZ LYS 93 -21.562 3.152 -4.139 1544 3HZ LYS 93 3HZ LYS 93 -22.938 4.086 -4.486 1545 H TYR 94 H TYR 94 -18.290 -2.835 -5.371 1546 HA TYR 94 HA TYR 94 -17.025 -3.519 -7.697 1547 1HB TYR 94 2HB TYR 94 -15.686 -4.722 -6.295 1548 2HB TYR 94 1HB TYR 94 -16.644 -3.905 -5.065 1549 HD1 TYR 94 HD1 TYR 94 -15.771 -7.013 -6.610 1550 HD2 TYR 94 HD2 TYR 94 -18.640 -5.093 -4.074 1551 HE1 TYR 94 HE1 TYR 94 -16.570 -9.240 -5.868 1552 HE2 TYR 94 HE2 TYR 94 -19.451 -7.322 -3.316 1553 HH TYR 94 HH TYR 94 -19.422 -9.763 -4.419 1554 H GLU 95 H GLU 95 -19.818 -5.196 -6.312 1555 HA GLU 95 HA GLU 95 -19.734 -7.594 -7.864 1556 1HB GLU 95 2HB GLU 95 -22.062 -5.926 -6.860 1557 2HB GLU 95 1HB GLU 95 -22.197 -7.588 -7.433 1558 1HG GLU 95 2HG GLU 95 -20.332 -8.076 -5.665 1559 2HG GLU 95 1HG GLU 95 -20.856 -6.551 -4.950 1560 H ASP 96 H ASP 96 -21.265 -4.438 -8.499 1561 HA ASP 96 HA ASP 96 -22.326 -4.969 -11.085 1562 1HB ASP 96 2HB ASP 96 -21.203 -2.532 -9.683 1563 2HB ASP 96 1HB ASP 96 -21.855 -2.421 -11.318 1564 H PHE 97 H PHE 97 -19.108 -4.085 -9.954 1565 HA PHE 97 HA PHE 97 -17.907 -3.824 -12.602 1566 1HB PHE 97 2HB PHE 97 -17.289 -3.192 -9.975 1567 2HB PHE 97 1HB PHE 97 -16.204 -4.542 -10.304 1568 HD1 PHE 97 HD1 PHE 97 -17.349 -1.259 -11.679 1569 HD2 PHE 97 HD2 PHE 97 -14.249 -4.228 -11.568 1570 HE1 PHE 97 HE1 PHE 97 -15.858 0.249 -12.967 1571 HE2 PHE 97 HE2 PHE 97 -12.757 -2.722 -12.858 1572 HZ PHE 97 HZ PHE 97 -13.563 -0.483 -13.558 1573 H ALA 98 H ALA 98 -18.510 -6.388 -10.300 1574 HA ALA 98 HA ALA 98 -16.702 -8.389 -11.210 1575 1HB ALA 98 1HB ALA 98 -19.501 -8.936 -10.233 1576 2HB ALA 98 2HB ALA 98 -18.327 -8.175 -9.159 1577 3HB ALA 98 3HB ALA 98 -18.006 -9.777 -9.821 1578 H LYS 99 H LYS 99 -19.905 -7.412 -12.360 1579 HA LYS 99 HA LYS 99 -19.705 -9.451 -14.551 1580 1HB LYS 99 2HB LYS 99 -22.054 -7.976 -13.317 1581 2HB LYS 99 1HB LYS 99 -22.184 -9.136 -14.640 1582 1HG LYS 99 2HG LYS 99 -21.818 -10.938 -13.279 1583 2HG LYS 99 1HG LYS 99 -20.689 -10.059 -12.246 1584 1HD LYS 99 2HD LYS 99 -22.851 -8.713 -11.548 1585 2HD LYS 99 1HD LYS 99 -23.684 -10.158 -12.124 1586 1HE LYS 99 2HE LYS 99 -22.200 -11.538 -10.624 1587 2HE LYS 99 1HE LYS 99 -21.568 -10.023 -9.949 1588 1HZ LYS 99 1HZ LYS 99 -24.421 -10.854 -10.031 1589 2HZ LYS 99 2HZ LYS 99 -23.863 -9.347 -9.479 1590 3HZ LYS 99 3HZ LYS 99 -23.446 -10.767 -8.646 Start of MODEL 21 1 1H MET 1 1H MET 1 5.577 3.406 9.816 2 2H MET 1 2H MET 1 4.079 2.700 10.194 3 3H MET 1 3H MET 1 5.069 3.309 11.431 4 HA MET 1 HA MET 1 4.331 5.397 11.181 5 1HB MET 1 2HB MET 1 4.848 4.634 8.327 6 2HB MET 1 1HB MET 1 3.952 6.119 8.654 7 1HG MET 1 2HG MET 1 5.769 7.181 9.545 8 2HG MET 1 1HG MET 1 6.394 5.709 10.286 9 1HE MET 1 1HE MET 1 7.295 7.778 6.495 10 2HE MET 1 2HE MET 1 5.928 7.962 7.592 11 3HE MET 1 3HE MET 1 5.816 6.842 6.235 12 H ASN 2 H ASN 2 2.276 6.526 9.746 13 HA ASN 2 HA ASN 2 0.138 4.710 9.116 14 1HB ASN 2 2HB ASN 2 0.671 4.744 11.756 15 2HB ASN 2 1HB ASN 2 -0.440 6.110 11.677 16 1HD2 ASN 2 1HD2 ASN 2 -0.492 2.910 12.350 17 2HD2 ASN 2 2HD2 ASN 2 -2.030 2.496 11.760 18 H LYS 3 H LYS 3 -2.094 6.196 9.834 19 HA LYS 3 HA LYS 3 -2.153 8.287 7.885 20 1HB LYS 3 2HB LYS 3 -3.903 6.950 9.745 21 2HB LYS 3 1HB LYS 3 -4.182 8.687 9.850 22 1HG LYS 3 2HG LYS 3 -4.307 8.693 7.296 23 2HG LYS 3 1HG LYS 3 -4.355 6.933 7.384 24 1HD LYS 3 2HD LYS 3 -6.353 7.087 8.868 25 2HD LYS 3 1HD LYS 3 -6.325 8.840 8.689 26 1HE LYS 3 2HE LYS 3 -6.510 8.448 6.147 27 2HE LYS 3 1HE LYS 3 -6.904 6.765 6.548 28 1HZ LYS 3 1HZ LYS 3 -8.820 8.434 6.422 29 2HZ LYS 3 2HZ LYS 3 -8.251 9.012 7.914 30 3HZ LYS 3 3HZ LYS 3 -8.761 7.398 7.763 31 H THR 4 H THR 4 -0.608 8.293 10.869 32 HA THR 4 HA THR 4 -0.769 11.287 11.067 33 HB THR 4 HB THR 4 -0.419 9.195 13.250 34 HG1 THR 4 HG1 THR 4 -2.596 10.845 12.497 35 1HG2 THR 4 1HG2 THR 4 -0.323 12.185 13.189 36 2HG2 THR 4 2HG2 THR 4 0.649 11.053 14.129 37 3HG2 THR 4 3HG2 THR 4 -1.014 11.393 14.605 38 H GLU 5 H GLU 5 1.205 8.362 11.499 39 HA GLU 5 HA GLU 5 3.689 9.688 12.029 40 1HB GLU 5 2HB GLU 5 2.668 7.054 11.620 41 2HB GLU 5 1HB GLU 5 4.046 7.261 10.541 42 1HG GLU 5 2HG GLU 5 4.123 7.974 13.482 43 2HG GLU 5 1HG GLU 5 4.637 6.409 12.853 44 H LEU 6 H LEU 6 2.393 8.280 8.995 45 HA LEU 6 HA LEU 6 4.384 9.362 7.252 46 1HB LEU 6 2HB LEU 6 1.518 8.461 7.007 47 2HB LEU 6 1HB LEU 6 2.332 9.160 5.609 48 HG LEU 6 HG LEU 6 3.984 7.172 6.981 49 1HD1 LEU 6 1HD1 LEU 6 1.195 6.490 6.113 50 2HD1 LEU 6 2HD1 LEU 6 2.124 5.865 7.475 51 3HD1 LEU 6 3HD1 LEU 6 2.484 5.318 5.837 52 1HD2 LEU 6 1HD2 LEU 6 2.936 7.066 4.156 53 2HD2 LEU 6 2HD2 LEU 6 4.504 6.542 4.770 54 3HD2 LEU 6 3HD2 LEU 6 4.146 8.263 4.619 55 H ILE 7 H ILE 7 1.509 10.782 8.714 56 HA ILE 7 HA ILE 7 1.168 13.083 7.098 57 HB ILE 7 HB ILE 7 0.714 12.307 9.954 58 1HG1 ILE 7 2HG1 ILE 7 -0.962 13.293 7.651 59 2HG1 ILE 7 1HG1 ILE 7 -0.961 11.690 8.368 60 1HG2 ILE 7 1HG2 ILE 7 1.098 15.074 9.028 61 2HG2 ILE 7 2HG2 ILE 7 1.108 14.425 10.665 62 3HG2 ILE 7 3HG2 ILE 7 -0.420 14.805 9.875 63 1HD1 ILE 7 1HD1 ILE 7 -2.900 12.778 9.241 64 2HD1 ILE 7 2HD1 ILE 7 -2.000 14.257 9.574 65 3HD1 ILE 7 3HD1 ILE 7 -1.710 12.815 10.542 66 H LYS 8 H LYS 8 3.115 12.714 10.057 67 HA LYS 8 HA LYS 8 4.508 15.198 9.872 68 1HB LYS 8 2HB LYS 8 5.523 12.540 10.929 69 2HB LYS 8 1HB LYS 8 6.081 14.137 11.415 70 1HG LYS 8 2HG LYS 8 3.935 14.652 12.418 71 2HG LYS 8 1HG LYS 8 3.238 13.155 11.800 72 1HD LYS 8 2HD LYS 8 5.447 13.416 13.859 73 2HD LYS 8 1HD LYS 8 3.814 12.804 14.126 74 1HE LYS 8 2HE LYS 8 4.677 11.189 12.065 75 2HE LYS 8 1HE LYS 8 6.163 11.412 13.008 76 1HZ LYS 8 1HZ LYS 8 3.527 10.451 13.967 77 2HZ LYS 8 2HZ LYS 8 4.732 11.004 15.029 78 3HZ LYS 8 3HZ LYS 8 5.020 9.649 14.046 79 H ALA 9 H ALA 9 5.039 12.034 8.353 80 HA ALA 9 HA ALA 9 7.655 12.348 7.347 81 1HB ALA 9 1HB ALA 9 7.037 10.589 5.960 82 2HB ALA 9 2HB ALA 9 5.456 11.289 5.612 83 3HB ALA 9 3HB ALA 9 5.753 10.502 7.163 84 H ILE 10 H ILE 10 4.569 13.676 6.147 85 HA ILE 10 HA ILE 10 6.002 15.098 3.983 86 HB ILE 10 HB ILE 10 3.364 13.987 4.560 87 1HG1 ILE 10 2HG1 ILE 10 3.139 14.091 2.126 88 2HG1 ILE 10 1HG1 ILE 10 4.529 15.170 2.025 89 1HG2 ILE 10 1HG2 ILE 10 3.431 16.847 3.554 90 2HG2 ILE 10 2HG2 ILE 10 2.720 16.292 5.070 91 3HG2 ILE 10 3HG2 ILE 10 2.015 15.796 3.531 92 1HD1 ILE 10 1HD1 ILE 10 5.716 13.253 1.718 93 2HD1 ILE 10 2HD1 ILE 10 4.442 12.246 2.402 94 3HD1 ILE 10 3HD1 ILE 10 5.572 13.079 3.466 95 H ALA 11 H ALA 11 4.218 15.545 6.995 96 HA ALA 11 HA ALA 11 4.069 18.406 6.891 97 1HB ALA 11 1HB ALA 11 4.509 17.098 9.514 98 2HB ALA 11 2HB ALA 11 3.245 16.356 8.534 99 3HB ALA 11 3HB ALA 11 3.140 18.062 8.962 100 H GLN 12 H GLN 12 6.734 16.271 7.149 101 HA GLN 12 HA GLN 12 8.475 18.464 8.180 102 1HB GLN 12 2HB GLN 12 8.911 15.454 8.150 103 2HB GLN 12 1HB GLN 12 9.965 16.641 8.917 104 1HG GLN 12 2HG GLN 12 7.142 16.816 9.756 105 2HG GLN 12 1HG GLN 12 7.936 15.305 10.197 106 1HE2 GLN 12 1HE2 GLN 12 9.125 18.716 10.031 107 2HE2 GLN 12 2HE2 GLN 12 9.731 18.731 11.618 108 H ASP 13 H ASP 13 8.250 15.802 5.777 109 HA ASP 13 HA ASP 13 10.642 16.534 4.313 110 1HB ASP 13 2HB ASP 13 8.058 15.078 3.678 111 2HB ASP 13 1HB ASP 13 9.297 15.318 2.447 112 H THR 14 H THR 14 7.256 17.377 4.214 113 HA THR 14 HA THR 14 7.614 19.411 2.105 114 HB THR 14 HB THR 14 5.024 19.291 3.450 115 HG1 THR 14 HG1 THR 14 6.085 16.834 2.509 116 1HG2 THR 14 1HG2 THR 14 4.412 19.491 1.304 117 2HG2 THR 14 2HG2 THR 14 5.090 17.908 0.945 118 3HG2 THR 14 3HG2 THR 14 6.103 19.344 0.830 119 H GLY 15 H GLY 15 5.791 19.589 5.158 120 1HA GLY 15 2HA GLY 15 5.972 21.051 6.997 121 2HA GLY 15 1HA GLY 15 7.609 21.421 6.462 122 H LEU 16 H LEU 16 5.460 21.868 3.965 123 HA LEU 16 HA LEU 16 5.870 24.629 3.616 124 1HB LEU 16 2HB LEU 16 3.645 22.734 2.837 125 2HB LEU 16 1HB LEU 16 3.758 24.379 2.210 126 HG LEU 16 HG LEU 16 6.265 23.586 1.771 127 1HD1 LEU 16 1HD1 LEU 16 6.522 21.402 2.139 128 2HD1 LEU 16 2HD1 LEU 16 5.527 21.148 0.719 129 3HD1 LEU 16 3HD1 LEU 16 4.789 21.151 2.316 130 1HD2 LEU 16 1HD2 LEU 16 5.509 24.109 -0.311 131 2HD2 LEU 16 2HD2 LEU 16 3.848 23.871 0.230 132 3HD2 LEU 16 3HD2 LEU 16 4.766 22.514 -0.421 133 H THR 17 H THR 17 2.764 23.219 4.536 134 HA THR 17 HA THR 17 2.360 25.365 6.550 135 HB THR 17 HB THR 17 1.465 25.515 3.971 136 HG1 THR 17 HG1 THR 17 1.290 27.232 5.316 137 1HG2 THR 17 1HG2 THR 17 0.007 23.593 4.153 138 2HG2 THR 17 2HG2 THR 17 -0.982 25.043 4.064 139 3HG2 THR 17 3HG2 THR 17 -0.747 24.242 5.607 140 H GLN 18 H GLN 18 2.468 22.148 5.997 141 HA GLN 18 HA GLN 18 1.461 20.279 7.026 142 1HB GLN 18 2HB GLN 18 0.151 22.288 8.886 143 2HB GLN 18 1HB GLN 18 0.676 20.648 9.259 144 1HG GLN 18 2HG GLN 18 3.051 21.624 8.560 145 2HG GLN 18 1HG GLN 18 2.297 23.148 9.029 146 1HE2 GLN 18 1HE2 GLN 18 3.827 23.177 10.912 147 2HE2 GLN 18 2HE2 GLN 18 3.488 22.227 12.278 148 H VAL 19 H VAL 19 0.264 22.084 4.963 149 HA VAL 19 HA VAL 19 -2.082 22.856 4.450 150 HB VAL 19 HB VAL 19 -0.962 21.786 2.671 151 1HG1 VAL 19 1HG1 VAL 19 -1.165 19.057 2.813 152 2HG1 VAL 19 2HG1 VAL 19 -0.876 19.487 4.500 153 3HG1 VAL 19 3HG1 VAL 19 0.267 19.983 3.256 154 1HG2 VAL 19 1HG2 VAL 19 -2.616 20.430 1.528 155 2HG2 VAL 19 2HG2 VAL 19 -3.447 21.699 2.418 156 3HG2 VAL 19 3HG2 VAL 19 -3.423 20.056 3.046 157 H SER 20 H SER 20 -2.640 19.462 4.564 158 HA SER 20 HA SER 20 -4.613 19.759 6.726 159 1HB SER 20 2HB SER 20 -4.954 19.180 3.892 160 2HB SER 20 1HB SER 20 -5.533 17.848 4.874 161 HG SER 20 HG SER 20 -7.104 19.504 4.495 162 H VAL 21 H VAL 21 -1.751 18.746 6.380 163 HA VAL 21 HA VAL 21 -1.039 16.240 6.146 164 HB VAL 21 HB VAL 21 -0.148 16.375 8.593 165 1HG1 VAL 21 1HG1 VAL 21 1.238 16.893 6.685 166 2HG1 VAL 21 2HG1 VAL 21 1.464 18.166 7.886 167 3HG1 VAL 21 3HG1 VAL 21 0.442 18.454 6.477 168 1HG2 VAL 21 1HG2 VAL 21 -0.522 19.258 8.601 169 2HG2 VAL 21 2HG2 VAL 21 -0.804 18.098 9.897 170 3HG2 VAL 21 3HG2 VAL 21 -2.066 18.421 8.713 171 H SER 22 H SER 22 -3.336 17.293 8.524 172 HA SER 22 HA SER 22 -3.945 14.553 9.460 173 1HB SER 22 2HB SER 22 -4.166 17.115 10.476 174 2HB SER 22 1HB SER 22 -5.833 16.736 10.054 175 HG SER 22 HG SER 22 -5.653 14.851 11.298 176 H LYS 23 H LYS 23 -5.325 16.960 7.289 177 HA LYS 23 HA LYS 23 -7.654 15.263 6.728 178 1HB LYS 23 2HB LYS 23 -6.892 18.032 6.553 179 2HB LYS 23 1HB LYS 23 -7.523 17.489 4.998 180 1HG LYS 23 2HG LYS 23 -9.224 16.370 6.963 181 2HG LYS 23 1HG LYS 23 -8.958 18.045 7.445 182 1HD LYS 23 2HD LYS 23 -9.961 17.066 4.756 183 2HD LYS 23 1HD LYS 23 -10.874 17.979 5.959 184 1HE LYS 23 2HE LYS 23 -8.712 19.621 5.609 185 2HE LYS 23 1HE LYS 23 -8.898 18.943 3.980 186 1HZ LYS 23 1HZ LYS 23 -10.342 20.881 4.321 187 2HZ LYS 23 2HZ LYS 23 -11.101 20.091 5.619 188 3HZ LYS 23 3HZ LYS 23 -11.245 19.472 4.043 189 H MET 24 H MET 24 -4.658 16.329 4.994 190 HA MET 24 HA MET 24 -5.502 15.096 2.526 191 1HB MET 24 2HB MET 24 -2.696 14.961 2.554 192 2HB MET 24 1HB MET 24 -3.673 16.218 1.827 193 1HG MET 24 2HG MET 24 -3.183 17.724 3.476 194 2HG MET 24 1HG MET 24 -3.216 16.490 4.732 195 1HE MET 24 1HE MET 24 -1.995 14.716 4.840 196 2HE MET 24 2HE MET 24 -0.247 14.813 5.046 197 3HE MET 24 3HE MET 24 -0.918 14.234 3.523 198 H LEU 25 H LEU 25 -3.711 13.857 5.403 199 HA LEU 25 HA LEU 25 -3.344 11.267 4.068 200 1HB LEU 25 2HB LEU 25 -2.908 12.362 6.843 201 2HB LEU 25 1HB LEU 25 -2.671 10.654 6.488 202 HG LEU 25 HG LEU 25 -0.975 12.957 5.818 203 1HD1 LEU 25 1HD1 LEU 25 -0.142 10.128 5.392 204 2HD1 LEU 25 2HD1 LEU 25 -0.611 10.577 7.029 205 3HD1 LEU 25 3HD1 LEU 25 0.700 11.433 6.221 206 1HD2 LEU 25 1HD2 LEU 25 -1.485 10.860 3.679 207 2HD2 LEU 25 2HD2 LEU 25 -0.225 12.092 3.633 208 3HD2 LEU 25 3HD2 LEU 25 -1.921 12.566 3.560 209 H ALA 26 H ALA 26 -5.595 12.661 6.437 210 HA ALA 26 HA ALA 26 -7.022 10.200 6.958 211 1HB ALA 26 1HB ALA 26 -7.809 13.136 7.044 212 2HB ALA 26 2HB ALA 26 -7.211 12.173 8.396 213 3HB ALA 26 3HB ALA 26 -8.797 11.833 7.706 214 H SER 27 H SER 27 -7.170 12.740 4.527 215 HA SER 27 HA SER 27 -9.543 11.612 3.197 216 1HB SER 27 2HB SER 27 -7.566 13.787 2.430 217 2HB SER 27 1HB SER 27 -9.073 13.451 1.587 218 HG SER 27 HG SER 27 -8.723 14.304 4.271 219 H PHE 28 H PHE 28 -6.039 11.558 2.943 220 HA PHE 28 HA PHE 28 -5.632 10.525 0.342 221 1HB PHE 28 2HB PHE 28 -3.733 11.098 1.621 222 2HB PHE 28 1HB PHE 28 -4.331 10.254 3.042 223 HD1 PHE 28 HD1 PHE 28 -2.349 10.013 0.029 224 HD2 PHE 28 HD2 PHE 28 -4.306 7.698 3.073 225 HE1 PHE 28 HE1 PHE 28 -0.922 8.090 -0.520 226 HE2 PHE 28 HE2 PHE 28 -2.886 5.773 2.511 227 HZ PHE 28 HZ PHE 28 -1.191 5.951 0.704 228 H GLU 29 H GLU 29 -6.270 8.761 3.384 229 HA GLU 29 HA GLU 29 -6.505 6.204 2.072 230 1HB GLU 29 2HB GLU 29 -6.117 6.566 4.516 231 2HB GLU 29 1HB GLU 29 -7.752 7.230 4.640 232 1HG GLU 29 2HG GLU 29 -7.885 4.776 3.189 233 2HG GLU 29 1HG GLU 29 -6.968 4.505 4.661 234 H LYS 30 H LYS 30 -8.657 8.870 2.899 235 HA LYS 30 HA LYS 30 -11.120 7.600 2.160 236 1HB LYS 30 2HB LYS 30 -10.657 9.796 3.449 237 2HB LYS 30 1HB LYS 30 -10.465 10.535 1.856 238 1HG LYS 30 2HG LYS 30 -12.688 10.161 1.261 239 2HG LYS 30 1HG LYS 30 -12.879 8.843 2.418 240 1HD LYS 30 2HD LYS 30 -12.386 11.687 3.315 241 2HD LYS 30 1HD LYS 30 -14.013 11.072 3.020 242 1HE LYS 30 2HE LYS 30 -12.157 9.480 4.773 243 2HE LYS 30 1HE LYS 30 -12.998 10.891 5.447 244 1HZ LYS 30 1HZ LYS 30 -14.273 8.746 5.558 245 2HZ LYS 30 2HZ LYS 30 -14.371 8.791 3.862 246 3HZ LYS 30 3HZ LYS 30 -15.082 10.024 4.790 247 H ILE 31 H ILE 31 -8.453 8.863 0.300 248 HA ILE 31 HA ILE 31 -10.162 8.745 -2.140 249 HB ILE 31 HB ILE 31 -8.057 9.842 -3.128 250 1HG1 ILE 31 2HG1 ILE 31 -7.168 11.343 -1.060 251 2HG1 ILE 31 1HG1 ILE 31 -7.354 9.772 -0.305 252 1HG2 ILE 31 1HG2 ILE 31 -8.889 12.055 -2.423 253 2HG2 ILE 31 2HG2 ILE 31 -9.785 11.280 -1.117 254 3HG2 ILE 31 3HG2 ILE 31 -10.214 10.953 -2.796 255 1HD1 ILE 31 1HD1 ILE 31 -5.517 10.603 -2.474 256 2HD1 ILE 31 2HD1 ILE 31 -6.212 8.987 -2.607 257 3HD1 ILE 31 3HD1 ILE 31 -5.267 9.427 -1.185 258 H ILE 32 H ILE 32 -7.457 7.357 -0.508 259 HA ILE 32 HA ILE 32 -6.531 5.713 -2.720 260 HB ILE 32 HB ILE 32 -6.265 5.407 0.289 261 1HG1 ILE 32 2HG1 ILE 32 -5.286 7.461 -1.323 262 2HG1 ILE 32 1HG1 ILE 32 -4.633 6.993 0.245 263 1HG2 ILE 32 1HG2 ILE 32 -5.716 3.326 -0.733 264 2HG2 ILE 32 2HG2 ILE 32 -4.167 4.123 -0.455 265 3HG2 ILE 32 3HG2 ILE 32 -4.875 4.113 -2.070 266 1HD1 ILE 32 1HD1 ILE 32 -2.924 7.103 -1.605 267 2HD1 ILE 32 2HD1 ILE 32 -3.754 5.748 -2.366 268 3HD1 ILE 32 3HD1 ILE 32 -3.008 5.545 -0.781 269 H THR 33 H THR 33 -8.218 5.012 0.311 270 HA THR 33 HA THR 33 -9.092 2.434 -0.562 271 HB THR 33 HB THR 33 -9.063 4.073 1.788 272 HG1 THR 33 HG1 THR 33 -8.527 2.178 2.427 273 1HG2 THR 33 1HG2 THR 33 -11.236 3.371 2.764 274 2HG2 THR 33 2HG2 THR 33 -11.729 2.800 1.169 275 3HG2 THR 33 3HG2 THR 33 -11.418 4.515 1.435 276 H GLU 34 H GLU 34 -10.476 5.720 -0.663 277 HA GLU 34 HA GLU 34 -13.099 4.790 -1.534 278 1HB GLU 34 2HB GLU 34 -11.627 7.413 -1.433 279 2HB GLU 34 1HB GLU 34 -13.280 7.293 -2.026 280 1HG GLU 34 2HG GLU 34 -12.369 6.297 0.703 281 2HG GLU 34 1HG GLU 34 -13.187 7.837 0.434 282 H THR 35 H THR 35 -10.150 6.053 -3.289 283 HA THR 35 HA THR 35 -11.436 6.214 -5.847 284 HB THR 35 HB THR 35 -8.584 5.497 -5.105 285 HG1 THR 35 HG1 THR 35 -9.308 7.611 -4.586 286 1HG2 THR 35 1HG2 THR 35 -9.226 6.572 -7.796 287 2HG2 THR 35 2HG2 THR 35 -9.756 4.917 -7.510 288 3HG2 THR 35 3HG2 THR 35 -8.056 5.338 -7.332 289 H VAL 36 H VAL 36 -9.598 3.503 -4.404 290 HA VAL 36 HA VAL 36 -10.150 1.595 -6.442 291 HB VAL 36 HB VAL 36 -9.625 1.582 -3.483 292 1HG1 VAL 36 1HG1 VAL 36 -10.960 -0.574 -4.981 293 2HG1 VAL 36 2HG1 VAL 36 -10.839 -0.321 -3.242 294 3HG1 VAL 36 3HG1 VAL 36 -9.515 -1.090 -4.116 295 1HG2 VAL 36 1HG2 VAL 36 -8.266 0.828 -6.029 296 2HG2 VAL 36 2HG2 VAL 36 -7.812 -0.044 -4.565 297 3HG2 VAL 36 3HG2 VAL 36 -7.635 1.709 -4.637 298 H ALA 37 H ALA 37 -12.036 2.762 -3.710 299 HA ALA 37 HA ALA 37 -14.306 0.985 -4.291 300 1HB ALA 37 1HB ALA 37 -13.794 1.420 -2.024 301 2HB ALA 37 2HB ALA 37 -15.242 2.370 -2.364 302 3HB ALA 37 3HB ALA 37 -13.666 3.151 -2.304 303 H LYS 38 H LYS 38 -13.105 3.762 -5.648 304 HA LYS 38 HA LYS 38 -15.815 4.911 -6.214 305 1HB LYS 38 2HB LYS 38 -12.972 5.905 -6.356 306 2HB LYS 38 1HB LYS 38 -14.220 6.706 -7.299 307 1HG LYS 38 2HG LYS 38 -14.103 6.412 -4.284 308 2HG LYS 38 1HG LYS 38 -14.035 7.900 -5.218 309 1HD LYS 38 2HD LYS 38 -16.263 8.032 -4.857 310 2HD LYS 38 1HD LYS 38 -16.408 6.758 -6.069 311 1HE LYS 38 2HE LYS 38 -15.983 5.121 -4.080 312 2HE LYS 38 1HE LYS 38 -16.433 6.502 -3.060 313 1HZ LYS 38 1HZ LYS 38 -18.026 5.408 -5.322 314 2HZ LYS 38 2HZ LYS 38 -18.439 6.778 -4.405 315 3HZ LYS 38 3HZ LYS 38 -18.399 5.244 -3.676 316 H GLY 39 H GLY 39 -13.000 3.354 -7.539 317 1HA GLY 39 2HA GLY 39 -13.551 1.830 -9.423 318 2HA GLY 39 1HA GLY 39 -14.418 3.186 -10.135 319 H ASP 40 H ASP 40 -11.205 3.207 -8.568 320 HA ASP 40 HA ASP 40 -9.957 3.649 -11.237 321 1HB ASP 40 2HB ASP 40 -10.545 5.662 -9.185 322 2HB ASP 40 1HB ASP 40 -8.850 5.655 -9.676 323 H LYS 41 H LYS 41 -8.204 2.340 -11.263 324 HA LYS 41 HA LYS 41 -7.073 1.050 -8.973 325 1HB LYS 41 2HB LYS 41 -6.011 1.569 -11.773 326 2HB LYS 41 1HB LYS 41 -5.332 0.393 -10.647 327 1HG LYS 41 2HG LYS 41 -7.003 -1.102 -11.008 328 2HG LYS 41 1HG LYS 41 -8.246 0.150 -11.019 329 1HD LYS 41 2HD LYS 41 -8.315 -0.462 -13.245 330 2HD LYS 41 1HD LYS 41 -7.068 0.783 -13.328 331 1HE LYS 41 2HE LYS 41 -5.352 -0.760 -13.597 332 2HE LYS 41 1HE LYS 41 -6.226 -2.036 -12.726 333 1HZ LYS 41 1HZ LYS 41 -7.852 -2.067 -14.549 334 2HZ LYS 41 2HZ LYS 41 -6.295 -2.491 -15.079 335 3HZ LYS 41 3HZ LYS 41 -6.912 -0.943 -15.403 336 H VAL 42 H VAL 42 -6.622 2.828 -7.516 337 HA VAL 42 HA VAL 42 -4.878 5.025 -8.177 338 HB VAL 42 HB VAL 42 -6.493 4.980 -6.304 339 1HG1 VAL 42 1HG1 VAL 42 -6.442 3.435 -4.621 340 2HG1 VAL 42 2HG1 VAL 42 -4.680 3.343 -4.620 341 3HG1 VAL 42 3HG1 VAL 42 -5.610 2.466 -5.836 342 1HG2 VAL 42 1HG2 VAL 42 -3.974 5.209 -4.789 343 2HG2 VAL 42 2HG2 VAL 42 -5.219 6.420 -5.089 344 3HG2 VAL 42 3HG2 VAL 42 -3.985 6.104 -6.309 345 H GLN 43 H GLN 43 -2.631 5.272 -7.792 346 HA GLN 43 HA GLN 43 -1.135 2.887 -6.809 347 1HB GLN 43 2HB GLN 43 -0.372 4.334 -9.352 348 2HB GLN 43 1HB GLN 43 0.174 2.754 -8.795 349 1HG GLN 43 2HG GLN 43 -2.320 2.065 -8.974 350 2HG GLN 43 1HG GLN 43 -2.500 3.516 -9.959 351 1HE2 GLN 43 1HE2 GLN 43 -2.602 0.577 -10.765 352 2HE2 GLN 43 2HE2 GLN 43 -1.451 0.432 -12.004 353 H LEU 44 H LEU 44 1.324 3.546 -6.771 354 HA LEU 44 HA LEU 44 1.580 6.420 -5.934 355 1HB LEU 44 2HB LEU 44 2.875 3.941 -4.747 356 2HB LEU 44 1HB LEU 44 3.106 5.587 -4.173 357 HG LEU 44 HG LEU 44 0.551 3.962 -4.104 358 1HD1 LEU 44 1HD1 LEU 44 2.001 3.496 -2.232 359 2HD1 LEU 44 2HD1 LEU 44 0.750 4.577 -1.649 360 3HD1 LEU 44 3HD1 LEU 44 2.358 5.202 -2.010 361 1HD2 LEU 44 1HD2 LEU 44 -0.479 5.967 -4.432 362 2HD2 LEU 44 2HD2 LEU 44 1.000 6.880 -4.133 363 3HD2 LEU 44 3HD2 LEU 44 0.023 6.312 -2.779 364 H THR 45 H THR 45 2.890 7.350 -7.482 365 HA THR 45 HA THR 45 4.478 7.462 -9.252 366 HB THR 45 HB THR 45 5.958 8.164 -7.634 367 HG1 THR 45 HG1 THR 45 7.310 7.133 -8.992 368 1HG2 THR 45 1HG2 THR 45 6.634 6.843 -5.663 369 2HG2 THR 45 2HG2 THR 45 5.684 5.481 -6.247 370 3HG2 THR 45 3HG2 THR 45 4.881 6.973 -5.773 371 H GLY 46 H GLY 46 6.062 4.662 -7.789 372 1HA GLY 46 2HA GLY 46 5.052 2.879 -9.896 373 2HA GLY 46 1HA GLY 46 6.778 3.237 -9.956 374 H PHE 47 H PHE 47 5.103 3.046 -6.850 375 HA PHE 47 HA PHE 47 6.427 0.410 -6.449 376 1HB PHE 47 2HB PHE 47 7.170 1.096 -4.291 377 2HB PHE 47 1HB PHE 47 7.663 2.315 -5.450 378 HD1 PHE 47 HD1 PHE 47 7.266 4.540 -4.943 379 HD2 PHE 47 HD2 PHE 47 4.808 1.538 -3.116 380 HE1 PHE 47 HE1 PHE 47 6.195 6.250 -3.557 381 HE2 PHE 47 HE2 PHE 47 3.725 3.275 -1.731 382 HZ PHE 47 HZ PHE 47 4.415 5.639 -1.948 383 H LEU 48 H LEU 48 3.597 2.360 -5.664 384 HA LEU 48 HA LEU 48 2.459 -0.139 -4.479 385 1HB LEU 48 2HB LEU 48 2.512 2.659 -3.606 386 2HB LEU 48 1HB LEU 48 0.949 1.874 -3.434 387 HG LEU 48 HG LEU 48 3.492 1.384 -1.966 388 1HD1 LEU 48 1HD1 LEU 48 1.812 2.299 -0.660 389 2HD1 LEU 48 2HD1 LEU 48 1.644 0.578 -0.314 390 3HD1 LEU 48 3HD1 LEU 48 0.547 1.360 -1.453 391 1HD2 LEU 48 1HD2 LEU 48 3.474 -0.765 -2.939 392 2HD2 LEU 48 2HD2 LEU 48 1.710 -0.851 -2.922 393 3HD2 LEU 48 3HD2 LEU 48 2.614 -0.974 -1.414 394 H ASN 49 H ASN 49 1.696 -0.753 -6.591 395 HA ASN 49 HA ASN 49 -0.272 0.995 -7.940 396 1HB ASN 49 2HB ASN 49 1.350 -1.420 -8.477 397 2HB ASN 49 1HB ASN 49 -0.242 -1.426 -9.237 398 1HD2 ASN 49 1HD2 ASN 49 2.150 1.213 -8.617 399 2HD2 ASN 49 2HD2 ASN 49 2.190 1.750 -10.227 400 H ILE 50 H ILE 50 -1.911 0.960 -6.212 401 HA ILE 50 HA ILE 50 -3.082 -1.541 -5.287 402 HB ILE 50 HB ILE 50 -3.970 1.365 -5.229 403 1HG1 ILE 50 2HG1 ILE 50 -2.712 1.652 -3.375 404 2HG1 ILE 50 1HG1 ILE 50 -3.307 0.166 -2.657 405 1HG2 ILE 50 1HG2 ILE 50 -5.888 -0.152 -5.009 406 2HG2 ILE 50 2HG2 ILE 50 -5.561 0.674 -3.486 407 3HG2 ILE 50 3HG2 ILE 50 -5.070 -1.006 -3.701 408 1HD1 ILE 50 1HD1 ILE 50 -0.945 -0.099 -2.857 409 2HD1 ILE 50 2HD1 ILE 50 -0.939 0.518 -4.507 410 3HD1 ILE 50 3HD1 ILE 50 -1.631 -1.065 -4.159 411 H LYS 51 H LYS 51 -4.916 -2.629 -6.152 412 HA LYS 51 HA LYS 51 -6.524 -1.205 -8.206 413 1HB LYS 51 2HB LYS 51 -6.046 -3.012 -9.883 414 2HB LYS 51 1HB LYS 51 -4.626 -2.052 -9.473 415 1HG LYS 51 2HG LYS 51 -3.816 -3.774 -7.973 416 2HG LYS 51 1HG LYS 51 -5.303 -4.701 -8.169 417 1HD LYS 51 2HD LYS 51 -3.845 -4.009 -10.663 418 2HD LYS 51 1HD LYS 51 -3.087 -5.209 -9.614 419 1HE LYS 51 2HE LYS 51 -4.768 -6.760 -9.947 420 2HE LYS 51 1HE LYS 51 -6.015 -5.514 -10.149 421 1HZ LYS 51 1HZ LYS 51 -5.133 -4.937 -12.274 422 2HZ LYS 51 2HZ LYS 51 -5.361 -6.620 -12.262 423 3HZ LYS 51 3HZ LYS 51 -3.802 -5.970 -12.077 424 HA PRO 52 HA PRO 52 -9.347 -3.971 -6.130 425 1HB PRO 52 2HB PRO 52 -11.640 -2.913 -7.139 426 2HB PRO 52 1HB PRO 52 -10.718 -2.145 -5.835 427 1HG PRO 52 2HG PRO 52 -10.891 -1.436 -8.695 428 2HG PRO 52 1HG PRO 52 -10.632 -0.401 -7.286 429 1HD PRO 52 2HD PRO 52 -8.667 -1.263 -9.073 430 2HD PRO 52 1HD PRO 52 -8.382 -0.556 -7.468 431 H VAL 53 H VAL 53 -10.398 -5.832 -6.728 432 HA VAL 53 HA VAL 53 -10.994 -6.274 -9.602 433 HB VAL 53 HB VAL 53 -9.875 -8.460 -9.457 434 1HG1 VAL 53 1HG1 VAL 53 -7.611 -7.624 -9.511 435 2HG1 VAL 53 2HG1 VAL 53 -8.029 -6.268 -8.464 436 3HG1 VAL 53 3HG1 VAL 53 -8.647 -6.330 -10.114 437 1HG2 VAL 53 1HG2 VAL 53 -9.701 -9.300 -7.350 438 2HG2 VAL 53 2HG2 VAL 53 -9.817 -7.700 -6.624 439 3HG2 VAL 53 3HG2 VAL 53 -8.263 -8.288 -7.207 440 H ALA 54 H ALA 54 -13.097 -6.728 -9.656 441 HA ALA 54 HA ALA 54 -14.801 -7.371 -7.549 442 1HB ALA 54 1HB ALA 54 -15.471 -8.643 -10.121 443 2HB ALA 54 2HB ALA 54 -15.015 -6.943 -10.237 444 3HB ALA 54 3HB ALA 54 -16.356 -7.429 -9.198 445 H ARG 55 H ARG 55 -15.393 -9.169 -6.480 446 HA ARG 55 HA ARG 55 -14.855 -11.885 -7.435 447 1HB ARG 55 2HB ARG 55 -13.010 -10.393 -5.714 448 2HB ARG 55 1HB ARG 55 -13.560 -11.885 -4.950 449 1HG ARG 55 2HG ARG 55 -12.618 -13.235 -6.583 450 2HG ARG 55 1HG ARG 55 -12.713 -11.982 -7.820 451 1HD ARG 55 2HD ARG 55 -10.951 -10.703 -6.451 452 2HD ARG 55 1HD ARG 55 -10.705 -12.223 -5.567 453 HE ARG 55 HE ARG 55 -10.468 -13.211 -7.997 454 1HH1 ARG 55 2HH1 ARG 55 -8.084 -11.829 -6.558 455 2HH1 ARG 55 1HH1 ARG 55 -7.438 -10.900 -7.869 456 1HH2 ARG 55 1HH2 ARG 55 -10.253 -11.257 -9.860 457 2HH2 ARG 55 2HH2 ARG 55 -8.665 -10.575 -9.738 458 H GLN 56 H GLN 56 -16.953 -12.558 -6.931 459 HA GLN 56 HA GLN 56 -18.296 -11.559 -4.527 460 1HB GLN 56 2HB GLN 56 -20.158 -12.934 -5.410 461 2HB GLN 56 1HB GLN 56 -19.473 -11.869 -6.637 462 1HG GLN 56 2HG GLN 56 -18.408 -13.627 -7.759 463 2HG GLN 56 1HG GLN 56 -18.424 -14.672 -6.338 464 1HE2 GLN 56 1HE2 GLN 56 -20.795 -13.021 -8.511 465 2HE2 GLN 56 2HE2 GLN 56 -21.907 -14.302 -8.507 466 H ALA 57 H ALA 57 -15.888 -13.582 -4.444 467 HA ALA 57 HA ALA 57 -16.163 -14.787 -2.039 468 1HB ALA 57 1HB ALA 57 -17.183 -17.109 -2.833 469 2HB ALA 57 2HB ALA 57 -17.959 -16.090 -4.043 470 3HB ALA 57 3HB ALA 57 -18.231 -15.786 -2.326 471 H ARG 58 H ARG 58 -14.821 -16.719 -1.705 472 HA ARG 58 HA ARG 58 -13.312 -17.828 -3.964 473 1HB ARG 58 2HB ARG 58 -12.359 -15.680 -2.125 474 2HB ARG 58 1HB ARG 58 -11.192 -16.902 -2.630 475 1HG ARG 58 2HG ARG 58 -12.416 -16.331 -5.002 476 2HG ARG 58 1HG ARG 58 -12.481 -14.762 -4.200 477 1HD ARG 58 2HD ARG 58 -10.108 -14.661 -3.967 478 2HD ARG 58 1HD ARG 58 -9.925 -16.386 -4.343 479 HE ARG 58 HE ARG 58 -10.281 -14.259 -6.299 480 1HH1 ARG 58 2HH1 ARG 58 -9.321 -17.377 -6.035 481 2HH1 ARG 58 1HH1 ARG 58 -10.115 -17.970 -7.455 482 1HH2 ARG 58 1HH2 ARG 58 -11.994 -15.094 -7.928 483 2HH2 ARG 58 2HH2 ARG 58 -11.629 -16.677 -8.526 484 H LYS 59 H LYS 59 -12.389 -19.801 -3.366 485 HA LYS 59 HA LYS 59 -11.835 -20.467 -0.570 486 1HB LYS 59 2HB LYS 59 -13.582 -22.240 -0.484 487 2HB LYS 59 1HB LYS 59 -14.282 -20.632 -0.659 488 1HG LYS 59 2HG LYS 59 -14.805 -20.970 -2.932 489 2HG LYS 59 1HG LYS 59 -13.678 -22.318 -3.083 490 1HD LYS 59 2HD LYS 59 -15.678 -23.477 -2.930 491 2HD LYS 59 1HD LYS 59 -15.233 -23.396 -1.225 492 1HE LYS 59 2HE LYS 59 -16.559 -21.049 -1.429 493 2HE LYS 59 1HE LYS 59 -17.417 -21.981 -2.672 494 1HZ LYS 59 1HZ LYS 59 -17.567 -23.821 -1.041 495 2HZ LYS 59 2HZ LYS 59 -18.434 -22.438 -0.570 496 3HZ LYS 59 3HZ LYS 59 -16.934 -22.788 0.146 497 H GLY 60 H GLY 60 -10.566 -20.519 -3.304 498 1HA GLY 60 2HA GLY 60 -10.004 -23.447 -3.511 499 2HA GLY 60 1HA GLY 60 -9.788 -22.299 -4.835 500 H PHE 61 H PHE 61 -7.944 -20.937 -4.835 501 HA PHE 61 HA PHE 61 -6.097 -20.753 -2.630 502 1HB PHE 61 2HB PHE 61 -5.853 -23.168 -3.231 503 2HB PHE 61 1HB PHE 61 -5.365 -22.687 -4.859 504 HD1 PHE 61 HD1 PHE 61 -3.312 -21.277 -5.169 505 HD2 PHE 61 HD2 PHE 61 -4.303 -23.059 -1.404 506 HE1 PHE 61 HE1 PHE 61 -1.043 -20.824 -4.358 507 HE2 PHE 61 HE2 PHE 61 -2.010 -22.621 -0.594 508 HZ PHE 61 HZ PHE 61 -0.379 -21.492 -2.083 509 H ASN 62 H ASN 62 -4.087 -19.604 -3.273 510 HA ASN 62 HA ASN 62 -4.515 -17.573 -5.287 511 1HB ASN 62 2HB ASN 62 -2.858 -18.128 -3.065 512 2HB ASN 62 1HB ASN 62 -1.755 -18.013 -4.433 513 1HD2 ASN 62 1HD2 ASN 62 -4.838 -16.232 -3.892 514 2HD2 ASN 62 2HD2 ASN 62 -4.130 -14.691 -3.924 515 HA PRO 63 HA PRO 63 -2.353 -19.557 -8.631 516 1HB PRO 63 2HB PRO 63 -0.273 -17.956 -9.389 517 2HB PRO 63 1HB PRO 63 -1.970 -17.510 -9.647 518 1HG PRO 63 2HG PRO 63 -0.034 -16.483 -7.682 519 2HG PRO 63 1HG PRO 63 -1.458 -15.705 -8.382 520 1HD PRO 63 2HD PRO 63 -1.247 -16.871 -5.824 521 2HD PRO 63 1HD PRO 63 -2.728 -16.292 -6.613 522 H GLN 64 H GLN 64 -1.503 -20.731 -6.219 523 HA GLN 64 HA GLN 64 1.220 -21.596 -6.926 524 1HB GLN 64 2HB GLN 64 0.974 -19.493 -5.313 525 2HB GLN 64 1HB GLN 64 0.724 -20.744 -4.101 526 1HG GLN 64 2HG GLN 64 3.079 -20.324 -4.124 527 2HG GLN 64 1HG GLN 64 2.855 -21.845 -4.988 528 1HE2 GLN 64 1HE2 GLN 64 4.254 -21.864 -6.751 529 2HE2 GLN 64 2HE2 GLN 64 4.531 -20.551 -7.788 530 H THR 65 H THR 65 0.662 -22.325 -3.741 531 HA THR 65 HA THR 65 -1.232 -24.497 -3.936 532 HB THR 65 HB THR 65 0.522 -25.418 -5.355 533 HG1 THR 65 HG1 THR 65 -0.526 -26.782 -3.776 534 1HG2 THR 65 1HG2 THR 65 2.267 -24.531 -3.084 535 2HG2 THR 65 2HG2 THR 65 2.508 -24.329 -4.818 536 3HG2 THR 65 3HG2 THR 65 2.768 -25.905 -4.069 537 H GLN 66 H GLN 66 1.190 -22.710 -2.166 538 HA GLN 66 HA GLN 66 0.614 -24.242 0.318 539 1HB GLN 66 2HB GLN 66 2.700 -22.144 -0.351 540 2HB GLN 66 1HB GLN 66 2.630 -23.077 1.143 541 1HG GLN 66 2HG GLN 66 3.654 -24.840 0.184 542 2HG GLN 66 1HG GLN 66 2.534 -24.825 -1.178 543 1HE2 GLN 66 1HE2 GLN 66 3.018 -22.766 -2.723 544 2HE2 GLN 66 2HE2 GLN 66 4.658 -22.545 -3.096 545 H GLU 67 H GLU 67 0.793 -20.854 -0.831 546 HA GLU 67 HA GLU 67 -0.513 -19.836 1.586 547 1HB GLU 67 2HB GLU 67 1.088 -18.884 -0.554 548 2HB GLU 67 1HB GLU 67 -0.439 -18.008 -0.654 549 1HG GLU 67 2HG GLU 67 -0.118 -16.942 1.350 550 2HG GLU 67 1HG GLU 67 0.733 -18.314 2.062 551 H ALA 68 H ALA 68 -2.538 -21.024 1.474 552 HA ALA 68 HA ALA 68 -4.339 -20.557 -0.818 553 1HB ALA 68 1HB ALA 68 -5.521 -22.328 0.102 554 2HB ALA 68 2HB ALA 68 -5.154 -21.841 1.757 555 3HB ALA 68 3HB ALA 68 -3.926 -22.649 0.783 556 H LEU 69 H LEU 69 -6.648 -19.852 -0.254 557 HA LEU 69 HA LEU 69 -7.007 -18.143 2.103 558 1HB LEU 69 2HB LEU 69 -7.217 -16.067 0.752 559 2HB LEU 69 1HB LEU 69 -5.598 -16.755 0.633 560 HG LEU 69 HG LEU 69 -7.510 -17.756 -1.388 561 1HD1 LEU 69 1HD1 LEU 69 -6.442 -14.943 -1.676 562 2HD1 LEU 69 2HD1 LEU 69 -8.065 -15.270 -1.073 563 3HD1 LEU 69 3HD1 LEU 69 -7.613 -15.772 -2.701 564 1HD2 LEU 69 1HD2 LEU 69 -4.820 -16.459 -1.817 565 2HD2 LEU 69 2HD2 LEU 69 -5.588 -17.738 -2.758 566 3HD2 LEU 69 3HD2 LEU 69 -4.940 -18.089 -1.156 567 H GLU 70 H GLU 70 -9.170 -16.717 1.521 568 HA GLU 70 HA GLU 70 -11.071 -17.925 -0.300 569 1HB GLU 70 2HB GLU 70 -12.442 -19.041 1.465 570 2HB GLU 70 1HB GLU 70 -10.844 -19.768 1.302 571 1HG GLU 70 2HG GLU 70 -10.178 -19.082 3.371 572 2HG GLU 70 1HG GLU 70 -11.002 -17.529 3.229 573 H ILE 71 H ILE 71 -10.619 -15.284 -0.078 574 HA ILE 71 HA ILE 71 -11.901 -13.772 1.922 575 HB ILE 71 HB ILE 71 -12.061 -12.061 0.074 576 1HG1 ILE 71 2HG1 ILE 71 -10.825 -12.831 -2.068 577 2HG1 ILE 71 1HG1 ILE 71 -11.241 -14.462 -1.557 578 1HG2 ILE 71 1HG2 ILE 71 -9.667 -11.843 -0.171 579 2HG2 ILE 71 2HG2 ILE 71 -9.436 -13.561 0.153 580 3HG2 ILE 71 3HG2 ILE 71 -9.998 -12.489 1.436 581 1HD1 ILE 71 1HD1 ILE 71 -12.873 -13.135 -3.135 582 2HD1 ILE 71 2HD1 ILE 71 -13.374 -12.355 -1.636 583 3HD1 ILE 71 3HD1 ILE 71 -13.533 -14.101 -1.815 584 H ALA 72 H ALA 72 -13.945 -12.332 1.203 585 HA ALA 72 HA ALA 72 -16.136 -14.285 0.663 586 1HB ALA 72 1HB ALA 72 -15.533 -12.513 2.733 587 2HB ALA 72 2HB ALA 72 -17.086 -13.304 2.473 588 3HB ALA 72 3HB ALA 72 -16.801 -11.686 1.829 589 HA PRO 73 HA PRO 73 -17.814 -12.000 -2.707 590 1HB PRO 73 2HB PRO 73 -20.228 -10.957 -1.935 591 2HB PRO 73 1HB PRO 73 -19.968 -12.682 -2.269 592 1HG PRO 73 2HG PRO 73 -20.049 -11.253 0.346 593 2HG PRO 73 1HG PRO 73 -20.734 -12.824 -0.102 594 1HD PRO 73 2HD PRO 73 -18.434 -12.596 1.285 595 2HD PRO 73 1HD PRO 73 -18.718 -13.924 0.144 596 H SER 74 H SER 74 -16.553 -10.292 -3.199 597 HA SER 74 HA SER 74 -17.378 -7.596 -2.879 598 1HB SER 74 2HB SER 74 -15.889 -8.796 -0.624 599 2HB SER 74 1HB SER 74 -15.241 -7.256 -1.178 600 HG SER 74 HG SER 74 -16.830 -6.409 -0.105 601 H VAL 75 H VAL 75 -15.736 -6.094 -3.805 602 HA VAL 75 HA VAL 75 -14.136 -7.243 -5.861 603 HB VAL 75 HB VAL 75 -14.813 -4.645 -4.809 604 1HG1 VAL 75 1HG1 VAL 75 -12.458 -4.599 -3.992 605 2HG1 VAL 75 2HG1 VAL 75 -12.751 -3.415 -5.264 606 3HG1 VAL 75 3HG1 VAL 75 -11.907 -4.916 -5.638 607 1HG2 VAL 75 1HG2 VAL 75 -15.236 -5.493 -7.100 608 2HG2 VAL 75 2HG2 VAL 75 -13.501 -5.461 -7.416 609 3HG2 VAL 75 3HG2 VAL 75 -14.370 -3.957 -7.117 610 H GLY 76 H GLY 76 -11.671 -6.922 -5.964 611 1HA GLY 76 2HA GLY 76 -10.505 -7.692 -3.309 612 2HA GLY 76 1HA GLY 76 -9.942 -8.368 -4.838 613 H VAL 77 H VAL 77 -10.017 -5.475 -2.851 614 HA VAL 77 HA VAL 77 -8.599 -3.692 -4.574 615 HB VAL 77 HB VAL 77 -9.775 -2.991 -2.546 616 1HG1 VAL 77 1HG1 VAL 77 -8.154 -5.148 -1.368 617 2HG1 VAL 77 2HG1 VAL 77 -9.707 -4.495 -0.847 618 3HG1 VAL 77 3HG1 VAL 77 -8.211 -3.686 -0.383 619 1HG2 VAL 77 1HG2 VAL 77 -6.942 -2.404 -2.990 620 2HG2 VAL 77 2HG2 VAL 77 -7.421 -2.154 -1.313 621 3HG2 VAL 77 3HG2 VAL 77 -8.266 -1.307 -2.606 622 H SER 78 H SER 78 -7.062 -5.309 -5.517 623 HA SER 78 HA SER 78 -4.981 -6.531 -3.982 624 1HB SER 78 2HB SER 78 -4.350 -5.590 -6.717 625 2HB SER 78 1HB SER 78 -4.290 -7.218 -6.053 626 HG SER 78 HG SER 78 -6.005 -7.330 -7.343 627 H VAL 79 H VAL 79 -2.618 -5.806 -4.516 628 HA VAL 79 HA VAL 79 -1.920 -3.026 -4.813 629 HB VAL 79 HB VAL 79 -2.462 -4.222 -2.085 630 1HG1 VAL 79 1HG1 VAL 79 -0.101 -3.606 -1.945 631 2HG1 VAL 79 2HG1 VAL 79 -1.073 -2.457 -1.026 632 3HG1 VAL 79 3HG1 VAL 79 -0.454 -2.014 -2.617 633 1HG2 VAL 79 1HG2 VAL 79 -3.280 -1.846 -3.614 634 2HG2 VAL 79 2HG2 VAL 79 -2.898 -1.520 -1.928 635 3HG2 VAL 79 3HG2 VAL 79 -4.129 -2.710 -2.338 636 H LYS 80 H LYS 80 0.518 -2.820 -4.035 637 HA LYS 80 HA LYS 80 2.054 -5.074 -3.275 638 1HB LYS 80 2HB LYS 80 3.045 -5.609 -5.532 639 2HB LYS 80 1HB LYS 80 1.338 -6.027 -5.410 640 1HG LYS 80 2HG LYS 80 0.737 -3.901 -6.513 641 2HG LYS 80 1HG LYS 80 2.446 -3.483 -6.637 642 1HD LYS 80 2HD LYS 80 2.878 -5.290 -8.139 643 2HD LYS 80 1HD LYS 80 1.311 -6.030 -7.810 644 1HE LYS 80 2HE LYS 80 0.696 -4.949 -9.743 645 2HE LYS 80 1HE LYS 80 0.541 -3.542 -8.671 646 1HZ LYS 80 1HZ LYS 80 3.083 -4.349 -9.977 647 2HZ LYS 80 2HZ LYS 80 2.781 -2.919 -9.109 648 3HZ LYS 80 3HZ LYS 80 2.037 -3.176 -10.615 649 HA PRO 81 HA PRO 81 5.139 -1.870 -3.578 650 1HB PRO 81 2HB PRO 81 7.331 -3.403 -3.068 651 2HB PRO 81 1HB PRO 81 6.105 -3.050 -1.837 652 1HG PRO 81 2HG PRO 81 6.683 -5.561 -3.195 653 2HG PRO 81 1HG PRO 81 5.724 -5.266 -1.740 654 1HD PRO 81 2HD PRO 81 4.801 -5.676 -4.462 655 2HD PRO 81 1HD PRO 81 3.856 -5.586 -2.960 656 H GLY 82 H GLY 82 6.507 -0.971 -5.141 657 1HA GLY 82 2HA GLY 82 7.082 -2.629 -7.551 658 2HA GLY 82 1HA GLY 82 7.137 -0.865 -7.495 659 H GLU 83 H GLU 83 9.340 -0.941 -8.365 660 HA GLU 83 HA GLU 83 11.389 -2.175 -6.611 661 1HB GLU 83 2HB GLU 83 12.905 -1.497 -8.465 662 2HB GLU 83 1HB GLU 83 11.561 -2.492 -9.018 663 1HG GLU 83 2HG GLU 83 10.931 0.373 -9.015 664 2HG GLU 83 1HG GLU 83 12.279 -0.032 -10.077 665 H SER 84 H SER 84 9.898 0.880 -7.144 666 HA SER 84 HA SER 84 11.954 2.739 -6.628 667 1HB SER 84 2HB SER 84 9.200 2.717 -6.889 668 2HB SER 84 1HB SER 84 9.417 3.231 -5.219 669 HG SER 84 HG SER 84 9.946 5.096 -6.005 670 H LEU 85 H LEU 85 10.203 0.618 -4.406 671 HA LEU 85 HA LEU 85 11.560 1.790 -2.048 672 1HB LEU 85 2HB LEU 85 10.149 -0.741 -1.626 673 2HB LEU 85 1HB LEU 85 9.873 0.822 -0.871 674 HG LEU 85 HG LEU 85 8.837 1.317 -3.322 675 1HD1 LEU 85 1HD1 LEU 85 7.622 -1.322 -3.039 676 2HD1 LEU 85 2HD1 LEU 85 9.341 -1.424 -3.419 677 3HD1 LEU 85 3HD1 LEU 85 8.256 -0.531 -4.482 678 1HD2 LEU 85 1HD2 LEU 85 7.368 1.808 -1.636 679 2HD2 LEU 85 2HD2 LEU 85 7.753 0.341 -0.735 680 3HD2 LEU 85 3HD2 LEU 85 6.653 0.268 -2.112 681 H LYS 86 H LYS 86 11.856 -0.905 -4.257 682 HA LYS 86 HA LYS 86 13.629 -2.448 -2.553 683 1HB LYS 86 2HB LYS 86 12.432 -2.567 -5.233 684 2HB LYS 86 1HB LYS 86 14.046 -3.271 -5.157 685 1HG LYS 86 2HG LYS 86 13.264 -5.089 -4.084 686 2HG LYS 86 1HG LYS 86 12.494 -4.087 -2.854 687 1HD LYS 86 2HD LYS 86 10.762 -5.369 -3.949 688 2HD LYS 86 1HD LYS 86 10.603 -3.693 -4.474 689 1HE LYS 86 2HE LYS 86 10.884 -4.318 -6.632 690 2HE LYS 86 1HE LYS 86 12.436 -5.081 -6.231 691 1HZ LYS 86 1HZ LYS 86 10.832 -6.724 -7.016 692 2HZ LYS 86 2HZ LYS 86 9.752 -6.280 -5.782 693 3HZ LYS 86 3HZ LYS 86 11.238 -7.005 -5.394 694 H LYS 87 H LYS 87 13.993 -0.049 -5.091 695 HA LYS 87 HA LYS 87 16.893 -0.281 -5.200 696 1HB LYS 87 2HB LYS 87 15.662 0.611 -7.096 697 2HB LYS 87 1HB LYS 87 14.842 1.788 -6.070 698 1HG LYS 87 2HG LYS 87 16.897 3.001 -5.693 699 2HG LYS 87 1HG LYS 87 17.844 1.742 -6.486 700 1HD LYS 87 2HD LYS 87 17.276 2.447 -8.584 701 2HD LYS 87 1HD LYS 87 15.642 2.901 -8.100 702 1HE LYS 87 2HE LYS 87 16.848 4.944 -8.635 703 2HE LYS 87 1HE LYS 87 16.671 4.881 -6.870 704 1HZ LYS 87 1HZ LYS 87 18.844 3.794 -6.747 705 2HZ LYS 87 2HZ LYS 87 18.964 5.334 -7.453 706 3HZ LYS 87 3HZ LYS 87 19.024 3.942 -8.427 707 H ALA 88 H ALA 88 14.457 1.675 -3.549 708 HA ALA 88 HA ALA 88 16.308 3.368 -2.106 709 1HB ALA 88 1HB ALA 88 13.496 2.370 -1.505 710 2HB ALA 88 2HB ALA 88 13.899 3.848 -2.380 711 3HB ALA 88 3HB ALA 88 14.287 3.705 -0.666 712 H ALA 89 H ALA 89 14.817 0.208 -1.658 713 HA ALA 89 HA ALA 89 15.589 -0.348 1.009 714 1HB ALA 89 1HB ALA 89 14.048 -1.793 -0.040 715 2HB ALA 89 2HB ALA 89 15.516 -2.764 0.059 716 3HB ALA 89 3HB ALA 89 15.074 -1.991 -1.458 717 H GLU 90 H GLU 90 17.373 -0.656 -2.040 718 HA GLU 90 HA GLU 90 19.708 -1.953 -1.035 719 1HB GLU 90 2HB GLU 90 20.433 -1.481 -3.163 720 2HB GLU 90 1HB GLU 90 18.820 -0.824 -3.420 721 1HG GLU 90 2HG GLU 90 19.645 1.406 -2.659 722 2HG GLU 90 1HG GLU 90 21.267 0.728 -2.522 723 H GLY 91 H GLY 91 18.442 1.308 -0.880 724 1HA GLY 91 2HA GLY 91 20.696 2.673 0.224 725 2HA GLY 91 1HA GLY 91 19.013 3.147 0.462 726 H LEU 92 H LEU 92 18.016 0.873 1.882 727 HA LEU 92 HA LEU 92 18.993 1.409 4.555 728 1HB LEU 92 2HB LEU 92 17.136 0.149 5.134 729 2HB LEU 92 1HB LEU 92 16.721 0.472 3.457 730 HG LEU 92 HG LEU 92 18.173 -1.750 3.078 731 1HD1 LEU 92 1HD1 LEU 92 16.795 -2.885 5.357 732 2HD1 LEU 92 2HD1 LEU 92 17.908 -1.629 5.900 733 3HD1 LEU 92 3HD1 LEU 92 18.506 -2.984 4.943 734 1HD2 LEU 92 1HD2 LEU 92 15.865 -2.965 3.467 735 2HD2 LEU 92 2HD2 LEU 92 16.021 -1.758 2.194 736 3HD2 LEU 92 3HD2 LEU 92 15.276 -1.327 3.734 737 H LYS 93 H LYS 93 20.772 0.032 2.309 738 HA LYS 93 HA LYS 93 22.582 -1.489 2.346 739 1HB LYS 93 2HB LYS 93 23.232 -0.723 4.528 740 2HB LYS 93 1HB LYS 93 21.807 -1.430 5.283 741 1HG LYS 93 2HG LYS 93 22.747 -3.497 5.433 742 2HG LYS 93 1HG LYS 93 23.468 -3.384 3.828 743 1HD LYS 93 2HD LYS 93 25.325 -3.409 5.305 744 2HD LYS 93 1HD LYS 93 25.126 -1.708 4.884 745 1HE LYS 93 2HE LYS 93 24.845 -1.195 7.070 746 2HE LYS 93 1HE LYS 93 23.456 -2.297 7.158 747 1HZ LYS 93 1HZ LYS 93 25.161 -3.089 8.634 748 2HZ LYS 93 2HZ LYS 93 26.326 -3.035 7.398 749 3HZ LYS 93 3HZ LYS 93 25.051 -4.156 7.319 750 H TYR 94 H TYR 94 20.807 -2.730 1.051 751 HA TYR 94 HA TYR 94 19.089 -4.577 2.246 752 1HB TYR 94 2HB TYR 94 19.139 -4.401 -0.171 753 2HB TYR 94 1HB TYR 94 20.830 -4.930 -0.211 754 HD1 TYR 94 HD1 TYR 94 21.277 -7.203 -0.535 755 HD2 TYR 94 HD2 TYR 94 17.524 -6.044 1.206 756 HE1 TYR 94 HE1 TYR 94 20.553 -9.579 -0.504 757 HE2 TYR 94 HE2 TYR 94 16.800 -8.420 1.211 758 HH TYR 94 HH TYR 94 18.935 -10.984 0.767 759 H GLU 95 H GLU 95 22.517 -5.237 1.276 760 HA GLU 95 HA GLU 95 23.465 -7.436 2.137 761 1HB GLU 95 2HB GLU 95 23.562 -5.305 4.301 762 2HB GLU 95 1HB GLU 95 24.745 -6.584 4.035 763 1HG GLU 95 2HG GLU 95 24.139 -4.379 2.043 764 2HG GLU 95 1HG GLU 95 25.506 -4.366 3.158 765 H ASP 96 H ASP 96 20.721 -7.326 2.151 766 HA ASP 96 HA ASP 96 18.741 -7.624 3.467 767 1HB ASP 96 2HB ASP 96 19.237 -9.686 2.467 768 2HB ASP 96 1HB ASP 96 20.714 -9.888 3.365 769 H PHE 97 H PHE 97 20.624 -5.930 4.874 770 HA PHE 97 HA PHE 97 21.794 -5.776 6.977 771 1HB PHE 97 2HB PHE 97 20.044 -5.721 8.785 772 2HB PHE 97 1HB PHE 97 19.662 -4.718 7.395 773 HD1 PHE 97 HD1 PHE 97 19.093 -8.236 8.628 774 HD2 PHE 97 HD2 PHE 97 17.527 -4.839 6.515 775 HE1 PHE 97 HE1 PHE 97 16.904 -9.373 8.425 776 HE2 PHE 97 HE2 PHE 97 15.337 -5.980 6.309 777 HZ PHE 97 HZ PHE 97 15.025 -8.247 7.266 778 H ALA 98 H ALA 98 21.496 -8.097 5.472 779 HA ALA 98 HA ALA 98 20.946 -10.496 6.874 780 1HB ALA 98 1HB ALA 98 23.098 -10.613 4.950 781 2HB ALA 98 2HB ALA 98 21.894 -9.450 4.427 782 3HB ALA 98 3HB ALA 98 21.421 -11.108 4.748 783 H LYS 99 H LYS 99 23.595 -8.277 6.809 784 HA LYS 99 HA LYS 99 25.379 -10.099 8.382 785 1HB LYS 99 2HB LYS 99 25.640 -7.857 6.497 786 2HB LYS 99 1HB LYS 99 26.723 -7.729 7.883 787 1HG LYS 99 2HG LYS 99 27.961 -9.535 7.251 788 2HG LYS 99 1HG LYS 99 26.551 -10.425 6.677 789 1HD LYS 99 2HD LYS 99 27.648 -9.967 4.671 790 2HD LYS 99 1HD LYS 99 26.533 -8.604 4.776 791 1HE LYS 99 2HE LYS 99 28.337 -7.236 4.630 792 2HE LYS 99 1HE LYS 99 28.827 -7.817 6.233 793 1HZ LYS 99 1HZ LYS 99 29.926 -9.689 5.208 794 2HZ LYS 99 2HZ LYS 99 30.532 -8.251 4.537 795 3HZ LYS 99 3HZ LYS 99 29.420 -9.195 3.666 796 1H MET 1 1H MET 1 -5.652 7.117 -11.049 797 2H MET 1 2H MET 1 -4.328 6.082 -10.797 798 3H MET 1 3H MET 1 -4.446 6.978 -12.234 799 HA MET 1 HA MET 1 -3.702 8.899 -11.289 800 1HB MET 1 2HB MET 1 -4.159 9.327 -8.841 801 2HB MET 1 1HB MET 1 -5.609 9.109 -9.819 802 1HG MET 1 2HG MET 1 -5.133 6.545 -9.087 803 2HG MET 1 1HG MET 1 -4.480 7.397 -7.690 804 1HE MET 1 1HE MET 1 -6.515 9.059 -5.936 805 2HE MET 1 2HE MET 1 -7.233 10.014 -7.229 806 3HE MET 1 3HE MET 1 -5.511 9.640 -7.272 807 H ASN 2 H ASN 2 -2.047 9.448 -9.439 808 HA ASN 2 HA ASN 2 -0.710 7.346 -8.108 809 1HB ASN 2 2HB ASN 2 1.258 7.081 -9.581 810 2HB ASN 2 1HB ASN 2 -0.217 6.693 -10.460 811 1HD2 ASN 2 1HD2 ASN 2 2.630 8.340 -10.844 812 2HD2 ASN 2 2HD2 ASN 2 2.129 9.525 -11.951 813 H LYS 3 H LYS 3 2.023 8.659 -8.785 814 HA LYS 3 HA LYS 3 2.183 10.440 -6.592 815 1HB LYS 3 2HB LYS 3 3.839 9.394 -8.679 816 2HB LYS 3 1HB LYS 3 4.104 11.134 -8.617 817 1HG LYS 3 2HG LYS 3 4.178 10.651 -5.985 818 2HG LYS 3 1HG LYS 3 4.671 9.055 -6.543 819 1HD LYS 3 2HD LYS 3 6.285 10.502 -8.104 820 2HD LYS 3 1HD LYS 3 6.085 11.677 -6.806 821 1HE LYS 3 2HE LYS 3 7.459 10.490 -5.414 822 2HE LYS 3 1HE LYS 3 6.620 8.969 -5.779 823 1HZ LYS 3 1HZ LYS 3 8.972 9.132 -6.615 824 2HZ LYS 3 2HZ LYS 3 8.425 10.311 -7.710 825 3HZ LYS 3 3HZ LYS 3 7.812 8.729 -7.785 826 H THR 4 H THR 4 0.425 11.000 -9.400 827 HA THR 4 HA THR 4 0.808 13.968 -9.210 828 HB THR 4 HB THR 4 0.220 12.077 -11.490 829 HG1 THR 4 HG1 THR 4 2.018 13.139 -12.350 830 1HG2 THR 4 1HG2 THR 4 -0.371 15.017 -11.260 831 2HG2 THR 4 2HG2 THR 4 -1.351 13.741 -11.984 832 3HG2 THR 4 3HG2 THR 4 0.089 14.327 -12.819 833 H GLU 5 H GLU 5 -1.686 11.814 -10.586 834 HA GLU 5 HA GLU 5 -3.917 13.430 -10.139 835 1HB GLU 5 2HB GLU 5 -3.385 10.502 -10.332 836 2HB GLU 5 1HB GLU 5 -4.996 11.005 -9.826 837 1HG GLU 5 2HG GLU 5 -3.957 12.525 -12.119 838 2HG GLU 5 1HG GLU 5 -4.160 10.804 -12.446 839 H LEU 6 H LEU 6 -2.263 11.264 -7.854 840 HA LEU 6 HA LEU 6 -4.219 11.604 -5.746 841 1HB LEU 6 2HB LEU 6 -1.288 10.822 -5.766 842 2HB LEU 6 1HB LEU 6 -2.320 10.711 -4.343 843 HG LEU 6 HG LEU 6 -2.998 9.362 -6.965 844 1HD1 LEU 6 1HD1 LEU 6 -1.571 8.255 -4.526 845 2HD1 LEU 6 2HD1 LEU 6 -0.892 8.427 -6.145 846 3HD1 LEU 6 3HD1 LEU 6 -2.196 7.277 -5.854 847 1HD2 LEU 6 1HD2 LEU 6 -4.763 9.878 -5.149 848 2HD2 LEU 6 2HD2 LEU 6 -3.920 8.682 -4.167 849 3HD2 LEU 6 3HD2 LEU 6 -4.648 8.208 -5.701 850 H ILE 7 H ILE 7 -1.419 13.540 -6.811 851 HA ILE 7 HA ILE 7 -1.198 15.102 -4.403 852 HB ILE 7 HB ILE 7 0.147 16.569 -5.691 853 1HG1 ILE 7 2HG1 ILE 7 0.059 16.124 -8.339 854 2HG1 ILE 7 1HG1 ILE 7 -1.619 15.803 -7.941 855 1HG2 ILE 7 1HG2 ILE 7 1.138 14.715 -7.450 856 2HG2 ILE 7 2HG2 ILE 7 0.339 13.709 -6.245 857 3HG2 ILE 7 3HG2 ILE 7 1.584 14.850 -5.753 858 1HD1 ILE 7 1HD1 ILE 7 -0.175 18.280 -6.997 859 2HD1 ILE 7 2HD1 ILE 7 -1.911 17.972 -6.975 860 3HD1 ILE 7 3HD1 ILE 7 -1.079 18.222 -8.510 861 H LYS 8 H LYS 8 -3.048 15.550 -7.392 862 HA LYS 8 HA LYS 8 -4.413 17.907 -6.378 863 1HB LYS 8 2HB LYS 8 -5.860 17.507 -8.418 864 2HB LYS 8 1HB LYS 8 -4.139 17.623 -8.772 865 1HG LYS 8 2HG LYS 8 -4.652 15.723 -9.974 866 2HG LYS 8 1HG LYS 8 -4.257 14.984 -8.429 867 1HD LYS 8 2HD LYS 8 -6.576 14.797 -7.827 868 2HD LYS 8 1HD LYS 8 -7.067 15.806 -9.187 869 1HE LYS 8 2HE LYS 8 -5.765 13.899 -10.566 870 2HE LYS 8 1HE LYS 8 -6.261 12.931 -9.162 871 1HZ LYS 8 1HZ LYS 8 -8.502 13.559 -9.451 872 2HZ LYS 8 2HZ LYS 8 -7.957 13.118 -10.998 873 3HZ LYS 8 3HZ LYS 8 -8.113 14.759 -10.586 874 H ALA 9 H ALA 9 -4.771 14.476 -6.060 875 HA ALA 9 HA ALA 9 -7.589 14.385 -5.411 876 1HB ALA 9 1HB ALA 9 -5.333 12.621 -4.425 877 2HB ALA 9 2HB ALA 9 -5.989 12.505 -6.058 878 3HB ALA 9 3HB ALA 9 -7.019 12.166 -4.666 879 H ILE 10 H ILE 10 -4.596 15.013 -3.625 880 HA ILE 10 HA ILE 10 -6.074 15.247 -1.079 881 HB ILE 10 HB ILE 10 -3.486 14.436 -1.954 882 1HG1 ILE 10 2HG1 ILE 10 -3.142 14.095 0.537 883 2HG1 ILE 10 1HG1 ILE 10 -4.705 14.878 0.776 884 1HG2 ILE 10 1HG2 ILE 10 -2.047 15.867 -0.471 885 2HG2 ILE 10 2HG2 ILE 10 -3.408 16.970 -0.297 886 3HG2 ILE 10 3HG2 ILE 10 -2.679 16.713 -1.882 887 1HD1 ILE 10 1HD1 ILE 10 -4.084 12.195 -0.336 888 2HD1 ILE 10 2HD1 ILE 10 -5.389 13.081 -1.125 889 3HD1 ILE 10 3HD1 ILE 10 -5.479 12.729 0.601 890 H ALA 11 H ALA 11 -4.350 17.057 -3.569 891 HA ALA 11 HA ALA 11 -4.215 19.621 -2.318 892 1HB ALA 11 1HB ALA 11 -3.965 20.388 -4.590 893 2HB ALA 11 2HB ALA 11 -4.832 18.987 -5.209 894 3HB ALA 11 3HB ALA 11 -3.226 18.791 -4.507 895 H GLN 12 H GLN 12 -6.869 17.793 -3.644 896 HA GLN 12 HA GLN 12 -8.692 20.128 -3.543 897 1HB GLN 12 2HB GLN 12 -8.838 17.247 -4.472 898 2HB GLN 12 1HB GLN 12 -10.295 18.232 -4.342 899 1HG GLN 12 2HG GLN 12 -7.948 19.384 -5.793 900 2HG GLN 12 1HG GLN 12 -8.899 18.142 -6.607 901 1HE2 GLN 12 1HE2 GLN 12 -10.218 19.309 -8.041 902 2HE2 GLN 12 2HE2 GLN 12 -11.201 20.617 -7.590 903 H ASP 13 H ASP 13 -8.231 16.918 -2.040 904 HA ASP 13 HA ASP 13 -10.363 17.163 -0.114 905 1HB ASP 13 2HB ASP 13 -7.699 15.693 -0.109 906 2HB ASP 13 1HB ASP 13 -8.973 15.420 1.080 907 H THR 14 H THR 14 -7.166 18.462 -0.444 908 HA THR 14 HA THR 14 -7.028 19.499 2.321 909 HB THR 14 HB THR 14 -4.847 20.437 1.288 910 HG1 THR 14 HG1 THR 14 -4.565 20.182 -0.715 911 1HG2 THR 14 1HG2 THR 14 -4.833 17.503 0.886 912 2HG2 THR 14 2HG2 THR 14 -5.347 18.080 2.467 913 3HG2 THR 14 3HG2 THR 14 -3.754 18.511 1.845 914 H GLY 15 H GLY 15 -6.296 21.042 -0.806 915 1HA GLY 15 2HA GLY 15 -6.916 23.150 -1.653 916 2HA GLY 15 1HA GLY 15 -8.461 22.901 -0.841 917 H LEU 16 H LEU 16 -5.696 22.777 1.186 918 HA LEU 16 HA LEU 16 -6.530 25.238 2.593 919 1HB LEU 16 2HB LEU 16 -4.166 23.383 3.051 920 2HB LEU 16 1HB LEU 16 -4.806 24.555 4.198 921 HG LEU 16 HG LEU 16 -7.041 23.109 3.620 922 1HD1 LEU 16 1HD1 LEU 16 -4.876 21.043 3.899 923 2HD1 LEU 16 2HD1 LEU 16 -5.382 21.592 2.309 924 3HD1 LEU 16 3HD1 LEU 16 -6.544 20.827 3.382 925 1HD2 LEU 16 1HD2 LEU 16 -5.133 23.355 5.796 926 2HD2 LEU 16 2HD2 LEU 16 -5.788 21.719 5.741 927 3HD2 LEU 16 3HD2 LEU 16 -6.876 23.099 5.882 928 H THR 17 H THR 17 -3.446 24.021 1.373 929 HA THR 17 HA THR 17 -2.800 26.722 0.332 930 HB THR 17 HB THR 17 -1.937 25.832 2.737 931 HG1 THR 17 HG1 THR 17 -0.445 27.330 0.848 932 1HG2 THR 17 1HG2 THR 17 0.115 24.904 0.708 933 2HG2 THR 17 2HG2 THR 17 -0.756 23.906 1.870 934 3HG2 THR 17 3HG2 THR 17 0.429 25.079 2.428 935 H GLN 18 H GLN 18 -3.149 23.500 -0.320 936 HA GLN 18 HA GLN 18 -2.294 22.078 -1.997 937 1HB GLN 18 2HB GLN 18 -1.129 24.623 -3.166 938 2HB GLN 18 1HB GLN 18 -1.704 23.200 -4.035 939 1HG GLN 18 2HG GLN 18 -3.993 23.774 -2.867 940 2HG GLN 18 1HG GLN 18 -3.288 25.384 -2.723 941 1HE2 GLN 18 1HE2 GLN 18 -5.169 25.887 -4.314 942 2HE2 GLN 18 2HE2 GLN 18 -4.851 25.690 -5.970 943 H VAL 19 H VAL 19 -0.822 22.915 0.408 944 HA VAL 19 HA VAL 19 1.627 23.455 0.852 945 HB VAL 19 HB VAL 19 0.628 21.824 2.271 946 1HG1 VAL 19 1HG1 VAL 19 0.570 19.338 1.249 947 2HG1 VAL 19 2HG1 VAL 19 0.337 20.256 -0.237 948 3HG1 VAL 19 3HG1 VAL 19 -0.784 20.454 1.101 949 1HG2 VAL 19 1HG2 VAL 19 2.639 21.020 2.876 950 2HG2 VAL 19 2HG2 VAL 19 3.258 21.254 1.243 951 3HG2 VAL 19 3HG2 VAL 19 2.457 19.745 1.671 952 H SER 20 H SER 20 2.150 20.309 -0.343 953 HA SER 20 HA SER 20 3.556 21.261 -2.739 954 1HB SER 20 2HB SER 20 5.558 20.548 -1.897 955 2HB SER 20 1HB SER 20 4.758 20.575 -0.337 956 HG SER 20 HG SER 20 5.803 18.546 -1.035 957 H VAL 21 H VAL 21 0.945 19.930 -1.949 958 HA VAL 21 HA VAL 21 0.320 17.419 -2.081 959 HB VAL 21 HB VAL 21 -1.205 17.895 -4.034 960 1HG1 VAL 21 1HG1 VAL 21 -2.364 18.619 -2.223 961 2HG1 VAL 21 2HG1 VAL 21 -1.907 20.237 -2.755 962 3HG1 VAL 21 3HG1 VAL 21 -0.948 19.409 -1.528 963 1HG2 VAL 21 1HG2 VAL 21 0.265 19.311 -5.358 964 2HG2 VAL 21 2HG2 VAL 21 0.378 20.481 -4.043 965 3HG2 VAL 21 3HG2 VAL 21 -1.151 20.252 -4.889 966 H SER 22 H SER 22 2.088 18.975 -4.618 967 HA SER 22 HA SER 22 2.351 16.546 -6.265 968 1HB SER 22 2HB SER 22 2.418 18.601 -7.441 969 2HB SER 22 1HB SER 22 3.478 19.345 -6.247 970 HG SER 22 HG SER 22 4.827 18.824 -7.860 971 H LYS 23 H LYS 23 4.400 18.413 -4.052 972 HA LYS 23 HA LYS 23 6.507 16.347 -4.180 973 1HB LYS 23 2HB LYS 23 6.205 19.061 -2.894 974 2HB LYS 23 1HB LYS 23 7.621 18.046 -2.633 975 1HG LYS 23 2HG LYS 23 8.453 18.999 -4.506 976 2HG LYS 23 1HG LYS 23 7.305 17.988 -5.383 977 1HD LYS 23 2HD LYS 23 7.049 20.328 -6.073 978 2HD LYS 23 1HD LYS 23 5.609 19.794 -5.206 979 1HE LYS 23 2HE LYS 23 5.901 21.609 -3.870 980 2HE LYS 23 1HE LYS 23 7.310 20.768 -3.194 981 1HZ LYS 23 1HZ LYS 23 8.037 22.857 -4.085 982 2HZ LYS 23 2HZ LYS 23 7.272 22.552 -5.571 983 3HZ LYS 23 3HZ LYS 23 8.613 21.624 -5.097 984 H MET 24 H MET 24 3.768 17.270 -2.204 985 HA MET 24 HA MET 24 4.656 16.196 0.281 986 1HB MET 24 2HB MET 24 2.885 17.864 -0.131 987 2HB MET 24 1HB MET 24 1.963 16.673 -1.029 988 1HG MET 24 2HG MET 24 2.830 16.093 1.750 989 2HG MET 24 1HG MET 24 1.436 17.124 1.480 990 1HE MET 24 1HE MET 24 0.065 16.436 -0.748 991 2HE MET 24 2HE MET 24 -0.507 14.803 -1.065 992 3HE MET 24 3HE MET 24 1.108 15.274 -1.575 993 H LEU 25 H LEU 25 2.746 14.900 -2.492 994 HA LEU 25 HA LEU 25 2.619 12.230 -1.292 995 1HB LEU 25 2HB LEU 25 1.837 13.588 -3.833 996 2HB LEU 25 1HB LEU 25 1.984 11.827 -3.847 997 HG LEU 25 HG LEU 25 0.489 13.214 -1.653 998 1HD1 LEU 25 1HD1 LEU 25 -1.271 12.133 -3.667 999 2HD1 LEU 25 2HD1 LEU 25 -0.228 13.362 -4.375 1000 3HD1 LEU 25 3HD1 LEU 25 -1.237 13.757 -2.984 1001 1HD2 LEU 25 1HD2 LEU 25 0.742 10.454 -2.783 1002 2HD2 LEU 25 2HD2 LEU 25 -0.782 10.908 -2.019 1003 3HD2 LEU 25 3HD2 LEU 25 0.721 10.974 -1.097 1004 H ALA 26 H ALA 26 4.484 13.858 -3.880 1005 HA ALA 26 HA ALA 26 6.096 11.660 -4.686 1006 1HB ALA 26 1HB ALA 26 5.962 14.005 -5.665 1007 2HB ALA 26 2HB ALA 26 7.603 13.388 -5.486 1008 3HB ALA 26 3HB ALA 26 6.966 14.547 -4.321 1009 H SER 27 H SER 27 6.208 13.805 -1.891 1010 HA SER 27 HA SER 27 8.735 12.791 -0.844 1011 1HB SER 27 2HB SER 27 6.444 14.476 0.176 1012 2HB SER 27 1HB SER 27 7.745 13.975 1.251 1013 HG SER 27 HG SER 27 8.459 15.849 0.421 1014 H PHE 28 H PHE 28 5.266 12.231 -0.308 1015 HA PHE 28 HA PHE 28 5.528 10.305 1.813 1016 1HB PHE 28 2HB PHE 28 3.335 10.849 1.692 1017 2HB PHE 28 1HB PHE 28 3.508 11.420 0.039 1018 HD1 PHE 28 HD1 PHE 28 2.891 10.034 -1.833 1019 HD2 PHE 28 HD2 PHE 28 2.927 8.392 2.139 1020 HE1 PHE 28 HE1 PHE 28 1.621 8.084 -2.632 1021 HE2 PHE 28 HE2 PHE 28 1.659 6.440 1.330 1022 HZ PHE 28 HZ PHE 28 0.991 6.288 -1.043 1023 H GLU 29 H GLU 29 5.724 10.106 -1.674 1024 HA GLU 29 HA GLU 29 5.811 7.176 -1.691 1025 1HB GLU 29 2HB GLU 29 5.810 9.489 -3.597 1026 2HB GLU 29 1HB GLU 29 6.432 7.937 -4.174 1027 1HG GLU 29 2HG GLU 29 4.405 6.927 -4.043 1028 2HG GLU 29 1HG GLU 29 3.971 7.783 -2.574 1029 H LYS 30 H LYS 30 7.851 9.970 -1.783 1030 HA LYS 30 HA LYS 30 10.329 8.552 -2.317 1031 1HB LYS 30 2HB LYS 30 10.038 10.970 -2.732 1032 2HB LYS 30 1HB LYS 30 9.713 11.232 -1.019 1033 1HG LYS 30 2HG LYS 30 11.961 10.448 -0.443 1034 2HG LYS 30 1HG LYS 30 12.294 10.108 -2.142 1035 1HD LYS 30 2HD LYS 30 11.784 12.571 -2.595 1036 2HD LYS 30 1HD LYS 30 11.843 12.804 -0.846 1037 1HE LYS 30 2HE LYS 30 14.156 11.359 -1.318 1038 2HE LYS 30 1HE LYS 30 14.058 12.419 -2.740 1039 1HZ LYS 30 1HZ LYS 30 15.121 13.461 -0.749 1040 2HZ LYS 30 2HZ LYS 30 13.621 13.363 0.040 1041 3HZ LYS 30 3HZ LYS 30 13.788 14.313 -1.359 1042 H ILE 31 H ILE 31 8.339 9.306 0.521 1043 HA ILE 31 HA ILE 31 10.440 8.299 2.351 1044 HB ILE 31 HB ILE 31 8.837 8.986 4.069 1045 1HG1 ILE 31 2HG1 ILE 31 7.043 10.564 2.620 1046 2HG1 ILE 31 1HG1 ILE 31 7.018 8.964 1.888 1047 1HG2 ILE 31 1HG2 ILE 31 8.757 11.495 3.196 1048 2HG2 ILE 31 2HG2 ILE 31 9.819 10.827 1.956 1049 3HG2 ILE 31 3HG2 ILE 31 10.279 10.730 3.656 1050 1HD1 ILE 31 1HD1 ILE 31 5.589 9.621 4.109 1051 2HD1 ILE 31 2HD1 ILE 31 7.060 8.982 4.840 1052 3HD1 ILE 31 3HD1 ILE 31 6.117 7.981 3.736 1053 H ILE 32 H ILE 32 7.347 7.383 0.993 1054 HA ILE 32 HA ILE 32 6.782 5.109 2.655 1055 HB ILE 32 HB ILE 32 6.199 5.866 -0.224 1056 1HG1 ILE 32 2HG1 ILE 32 5.042 6.870 1.909 1057 2HG1 ILE 32 1HG1 ILE 32 4.027 6.340 0.570 1058 1HG2 ILE 32 1HG2 ILE 32 5.774 3.241 1.152 1059 2HG2 ILE 32 2HG2 ILE 32 6.132 3.581 -0.541 1060 3HG2 ILE 32 3HG2 ILE 32 4.501 3.831 0.083 1061 1HD1 ILE 32 1HD1 ILE 32 4.722 4.569 2.919 1062 2HD1 ILE 32 2HD1 ILE 32 3.491 4.288 1.688 1063 3HD1 ILE 32 3HD1 ILE 32 3.276 5.577 2.871 1064 H THR 33 H THR 33 8.292 5.396 -0.517 1065 HA THR 33 HA THR 33 9.263 2.741 -0.623 1066 HB THR 33 HB THR 33 9.081 4.977 -2.247 1067 HG1 THR 33 HG1 THR 33 8.903 3.226 -3.351 1068 1HG2 THR 33 1HG2 THR 33 11.987 4.244 -1.902 1069 2HG2 THR 33 2HG2 THR 33 11.252 5.793 -1.486 1070 3HG2 THR 33 3HG2 THR 33 11.339 5.282 -3.171 1071 H GLU 34 H GLU 34 10.642 5.799 0.460 1072 HA GLU 34 HA GLU 34 13.281 4.817 1.051 1073 1HB GLU 34 2HB GLU 34 11.586 7.195 1.715 1074 2HB GLU 34 1HB GLU 34 13.134 6.993 2.529 1075 1HG GLU 34 2HG GLU 34 12.840 6.846 -0.488 1076 2HG GLU 34 1HG GLU 34 13.211 8.350 0.359 1077 H THR 35 H THR 35 10.363 5.290 3.156 1078 HA THR 35 HA THR 35 11.569 4.611 5.625 1079 HB THR 35 HB THR 35 8.800 3.899 4.618 1080 HG1 THR 35 HG1 THR 35 9.795 6.117 6.086 1081 1HG2 THR 35 1HG2 THR 35 8.333 3.149 6.722 1082 2HG2 THR 35 2HG2 THR 35 9.286 4.421 7.483 1083 3HG2 THR 35 3HG2 THR 35 10.080 2.972 6.873 1084 H VAL 36 H VAL 36 9.947 2.428 3.286 1085 HA VAL 36 HA VAL 36 10.512 -0.013 4.593 1086 HB VAL 36 HB VAL 36 9.562 0.869 2.100 1087 1HG1 VAL 36 1HG1 VAL 36 11.950 -0.949 1.683 1088 2HG1 VAL 36 2HG1 VAL 36 11.841 0.736 1.172 1089 3HG1 VAL 36 3HG1 VAL 36 10.791 -0.475 0.445 1090 1HG2 VAL 36 1HG2 VAL 36 8.483 -1.127 2.178 1091 2HG2 VAL 36 2HG2 VAL 36 9.251 -1.292 3.756 1092 3HG2 VAL 36 3HG2 VAL 36 9.985 -2.035 2.336 1093 H ALA 37 H ALA 37 12.516 2.066 2.590 1094 HA ALA 37 HA ALA 37 14.872 0.307 2.950 1095 1HB ALA 37 1HB ALA 37 15.831 1.924 1.338 1096 2HB ALA 37 2HB ALA 37 14.311 2.813 1.368 1097 3HB ALA 37 3HB ALA 37 14.354 1.160 0.754 1098 H LYS 38 H LYS 38 13.371 2.669 4.674 1099 HA LYS 38 HA LYS 38 15.872 3.986 5.621 1100 1HB LYS 38 2HB LYS 38 13.441 5.046 5.120 1101 2HB LYS 38 1HB LYS 38 13.162 4.523 6.781 1102 1HG LYS 38 2HG LYS 38 14.144 6.463 7.402 1103 2HG LYS 38 1HG LYS 38 15.665 5.718 6.908 1104 1HD LYS 38 2HD LYS 38 13.848 7.314 5.075 1105 2HD LYS 38 1HD LYS 38 15.311 7.940 5.838 1106 1HE LYS 38 2HE LYS 38 15.374 5.446 4.121 1107 2HE LYS 38 1HE LYS 38 15.578 7.068 3.429 1108 1HZ LYS 38 1HZ LYS 38 17.296 7.475 5.145 1109 2HZ LYS 38 2HZ LYS 38 17.724 6.246 4.053 1110 3HZ LYS 38 3HZ LYS 38 17.181 5.849 5.613 1111 H GLY 39 H GLY 39 13.518 1.585 6.262 1112 1HA GLY 39 2HA GLY 39 14.232 -0.232 7.712 1113 2HA GLY 39 1HA GLY 39 14.880 0.984 8.809 1114 H ASP 40 H ASP 40 11.670 0.840 7.181 1115 HA ASP 40 HA ASP 40 10.411 0.291 9.805 1116 1HB ASP 40 2HB ASP 40 10.816 2.946 8.698 1117 2HB ASP 40 1HB ASP 40 9.100 2.615 8.937 1118 H LYS 41 H LYS 41 8.018 0.184 9.599 1119 HA LYS 41 HA LYS 41 7.128 -0.596 6.850 1120 1HB LYS 41 2HB LYS 41 6.203 -1.702 9.529 1121 2HB LYS 41 1HB LYS 41 5.857 -2.362 7.933 1122 1HG LYS 41 2HG LYS 41 7.983 -3.264 7.694 1123 2HG LYS 41 1HG LYS 41 8.723 -2.085 8.772 1124 1HD LYS 41 2HD LYS 41 8.000 -3.202 10.700 1125 2HD LYS 41 1HD LYS 41 6.719 -4.056 9.840 1126 1HE LYS 41 2HE LYS 41 8.953 -4.949 8.506 1127 2HE LYS 41 1HE LYS 41 9.556 -4.794 10.167 1128 1HZ LYS 41 1HZ LYS 41 7.695 -6.041 10.975 1129 2HZ LYS 41 2HZ LYS 41 8.436 -6.945 9.741 1130 3HZ LYS 41 3HZ LYS 41 6.993 -6.103 9.432 1131 H VAL 42 H VAL 42 5.726 1.048 6.231 1132 HA VAL 42 HA VAL 42 4.367 2.655 8.274 1133 HB VAL 42 HB VAL 42 3.909 4.121 6.565 1134 1HG1 VAL 42 1HG1 VAL 42 5.821 2.749 4.780 1135 2HG1 VAL 42 2HG1 VAL 42 6.383 3.044 6.424 1136 3HG1 VAL 42 3HG1 VAL 42 5.848 4.390 5.420 1137 1HG2 VAL 42 1HG2 VAL 42 2.367 3.208 5.147 1138 2HG2 VAL 42 2HG2 VAL 42 3.222 1.673 5.028 1139 3HG2 VAL 42 3HG2 VAL 42 3.769 3.060 4.090 1140 H GLN 43 H GLN 43 2.130 2.712 8.698 1141 HA GLN 43 HA GLN 43 0.575 0.384 7.619 1142 1HB GLN 43 2HB GLN 43 0.307 1.650 10.364 1143 2HB GLN 43 1HB GLN 43 -0.325 0.093 9.832 1144 1HG GLN 43 2HG GLN 43 2.335 -0.238 9.322 1145 2HG GLN 43 1HG GLN 43 2.397 0.815 10.736 1146 1HE2 GLN 43 1HE2 GLN 43 0.068 -0.100 12.114 1147 2HE2 GLN 43 2HE2 GLN 43 0.321 -1.708 12.594 1148 H LEU 44 H LEU 44 -0.305 1.860 5.997 1149 HA LEU 44 HA LEU 44 -1.516 4.370 6.511 1150 1HB LEU 44 2HB LEU 44 -1.693 2.197 4.489 1151 2HB LEU 44 1HB LEU 44 -2.937 3.441 4.440 1152 HG LEU 44 HG LEU 44 0.047 3.979 4.432 1153 1HD1 LEU 44 1HD1 LEU 44 -0.680 4.834 2.050 1154 2HD1 LEU 44 2HD1 LEU 44 -2.003 3.690 2.254 1155 3HD1 LEU 44 3HD1 LEU 44 -0.332 3.127 2.293 1156 1HD2 LEU 44 1HD2 LEU 44 -0.948 5.894 5.332 1157 2HD2 LEU 44 2HD2 LEU 44 -2.434 5.675 4.407 1158 3HD2 LEU 44 3HD2 LEU 44 -0.973 6.256 3.606 1159 H THR 45 H THR 45 -2.720 4.202 8.465 1160 HA THR 45 HA THR 45 -4.514 3.589 9.878 1161 HB THR 45 HB THR 45 -5.377 5.394 8.586 1162 HG1 THR 45 HG1 THR 45 -7.440 4.951 8.863 1163 1HG2 THR 45 1HG2 THR 45 -6.530 4.919 6.375 1164 2HG2 THR 45 2HG2 THR 45 -5.783 3.328 6.422 1165 3HG2 THR 45 3HG2 THR 45 -4.774 4.772 6.350 1166 H GLY 46 H GLY 46 -3.405 1.172 8.372 1167 1HA GLY 46 2HA GLY 46 -4.115 -1.082 8.827 1168 2HA GLY 46 1HA GLY 46 -5.778 -0.519 8.892 1169 H PHE 47 H PHE 47 -5.364 0.934 6.181 1170 HA PHE 47 HA PHE 47 -6.011 -1.472 4.623 1171 1HB PHE 47 2HB PHE 47 -7.128 -0.050 3.199 1172 2HB PHE 47 1HB PHE 47 -7.185 0.863 4.697 1173 HD1 PHE 47 HD1 PHE 47 -5.354 0.525 1.466 1174 HD2 PHE 47 HD2 PHE 47 -6.157 2.942 4.893 1175 HE1 PHE 47 HE1 PHE 47 -4.224 2.427 0.388 1176 HE2 PHE 47 HE2 PHE 47 -5.027 4.859 3.828 1177 HZ PHE 47 HZ PHE 47 -4.048 4.597 1.574 1178 H LEU 48 H LEU 48 -3.290 0.750 4.810 1179 HA LEU 48 HA LEU 48 -1.998 -1.006 2.773 1180 1HB LEU 48 2HB LEU 48 -2.380 1.902 2.819 1181 2HB LEU 48 1HB LEU 48 -0.737 1.392 2.436 1182 HG LEU 48 HG LEU 48 -3.294 0.722 0.984 1183 1HD1 LEU 48 1HD1 LEU 48 -2.071 1.604 -0.930 1184 2HD1 LEU 48 2HD1 LEU 48 -0.635 1.819 0.070 1185 3HD1 LEU 48 3HD1 LEU 48 -2.079 2.781 0.382 1186 1HD2 LEU 48 1HD2 LEU 48 -0.822 -0.878 1.232 1187 2HD2 LEU 48 2HD2 LEU 48 -1.341 -0.580 -0.427 1188 3HD2 LEU 48 3HD2 LEU 48 -2.432 -1.371 0.711 1189 H ASN 49 H ASN 49 -0.918 -2.226 4.335 1190 HA ASN 49 HA ASN 49 0.905 -0.798 6.216 1191 1HB ASN 49 2HB ASN 49 -0.902 -2.923 6.445 1192 2HB ASN 49 1HB ASN 49 0.679 -3.704 6.435 1193 1HD2 ASN 49 1HD2 ASN 49 -1.558 -2.286 8.499 1194 2HD2 ASN 49 2HD2 ASN 49 -0.517 -1.879 9.777 1195 H ILE 50 H ILE 50 2.677 -0.372 4.802 1196 HA ILE 50 HA ILE 50 3.822 -2.559 3.175 1197 HB ILE 50 HB ILE 50 5.303 -0.827 2.381 1198 1HG1 ILE 50 2HG1 ILE 50 4.836 1.519 3.597 1199 2HG1 ILE 50 1HG1 ILE 50 4.621 0.423 4.963 1200 1HG2 ILE 50 1HG2 ILE 50 3.324 1.129 2.370 1201 2HG2 ILE 50 2HG2 ILE 50 2.430 -0.378 2.559 1202 3HG2 ILE 50 3HG2 ILE 50 3.512 -0.162 1.185 1203 1HD1 ILE 50 1HD1 ILE 50 6.821 -0.260 4.936 1204 2HD1 ILE 50 2HD1 ILE 50 7.043 1.348 4.248 1205 3HD1 ILE 50 3HD1 ILE 50 6.969 -0.061 3.191 1206 H LYS 51 H LYS 51 5.859 -3.579 3.591 1207 HA LYS 51 HA LYS 51 7.394 -2.702 5.969 1208 1HB LYS 51 2HB LYS 51 7.152 -4.972 7.022 1209 2HB LYS 51 1HB LYS 51 5.630 -4.087 6.933 1210 1HG LYS 51 2HG LYS 51 4.968 -5.336 4.948 1211 2HG LYS 51 1HG LYS 51 6.529 -6.154 4.906 1212 1HD LYS 51 2HD LYS 51 5.344 -6.448 7.523 1213 2HD LYS 51 1HD LYS 51 4.206 -6.982 6.286 1214 1HE LYS 51 2HE LYS 51 6.499 -8.109 5.338 1215 2HE LYS 51 1HE LYS 51 6.803 -8.171 7.085 1216 1HZ LYS 51 1HZ LYS 51 4.767 -9.266 7.459 1217 2HZ LYS 51 2HZ LYS 51 5.469 -10.076 6.142 1218 3HZ LYS 51 3HZ LYS 51 4.211 -8.964 5.886 1219 HA PRO 52 HA PRO 52 10.368 -4.465 3.134 1220 1HB PRO 52 2HB PRO 52 12.610 -3.562 4.370 1221 2HB PRO 52 1HB PRO 52 11.560 -2.500 3.412 1222 1HG PRO 52 2HG PRO 52 11.854 -2.726 6.331 1223 2HG PRO 52 1HG PRO 52 11.394 -1.338 5.347 1224 1HD PRO 52 2HD PRO 52 9.667 -2.987 6.828 1225 2HD PRO 52 1HD PRO 52 9.191 -1.775 5.621 1226 H VAL 53 H VAL 53 11.500 -6.382 3.130 1227 HA VAL 53 HA VAL 53 12.444 -7.500 5.700 1228 HB VAL 53 HB VAL 53 11.250 -9.603 5.268 1229 1HG1 VAL 53 1HG1 VAL 53 9.282 -7.317 5.010 1230 2HG1 VAL 53 2HG1 VAL 53 10.200 -7.588 6.492 1231 3HG1 VAL 53 3HG1 VAL 53 9.086 -8.823 5.907 1232 1HG2 VAL 53 1HG2 VAL 53 9.419 -9.411 3.439 1233 2HG2 VAL 53 2HG2 VAL 53 11.076 -9.692 2.903 1234 3HG2 VAL 53 3HG2 VAL 53 10.384 -8.077 2.818 1235 H ALA 54 H ALA 54 14.502 -7.990 5.360 1236 HA ALA 54 HA ALA 54 15.748 -8.292 2.805 1237 1HB ALA 54 1HB ALA 54 16.848 -7.591 4.942 1238 2HB ALA 54 2HB ALA 54 17.688 -8.897 4.147 1239 3HB ALA 54 3HB ALA 54 16.686 -9.242 5.540 1240 H ARG 55 H ARG 55 15.498 -10.011 1.430 1241 HA ARG 55 HA ARG 55 16.212 -12.669 1.939 1242 1HB ARG 55 2HB ARG 55 13.872 -13.700 2.157 1243 2HB ARG 55 1HB ARG 55 14.480 -12.874 3.587 1244 1HG ARG 55 2HG ARG 55 13.013 -11.095 3.351 1245 2HG ARG 55 1HG ARG 55 12.905 -11.282 1.600 1246 1HD ARG 55 2HD ARG 55 11.751 -13.575 2.185 1247 2HD ARG 55 1HD ARG 55 11.449 -12.801 3.752 1248 HE ARG 55 HE ARG 55 10.790 -11.194 1.362 1249 1HH1 ARG 55 2HH1 ARG 55 9.882 -11.605 4.462 1250 2HH1 ARG 55 1HH1 ARG 55 8.189 -11.830 4.173 1251 1HH2 ARG 55 1HH2 ARG 55 8.551 -12.192 0.743 1252 2HH2 ARG 55 2HH2 ARG 55 7.435 -12.162 2.068 1253 H GLN 56 H GLN 56 16.856 -12.150 -0.326 1254 HA GLN 56 HA GLN 56 14.773 -12.987 -2.233 1255 1HB GLN 56 2HB GLN 56 15.873 -10.220 -1.985 1256 2HB GLN 56 1HB GLN 56 15.417 -10.817 -3.579 1257 1HG GLN 56 2HG GLN 56 13.246 -11.588 -2.143 1258 2HG GLN 56 1HG GLN 56 13.705 -10.136 -1.254 1259 1HE2 GLN 56 1HE2 GLN 56 13.905 -8.090 -2.567 1260 2HE2 GLN 56 2HE2 GLN 56 12.984 -7.926 -3.983 1261 H ALA 57 H ALA 57 15.742 -12.797 -4.555 1262 HA ALA 57 HA ALA 57 18.113 -12.633 -5.670 1263 1HB ALA 57 1HB ALA 57 19.423 -14.752 -4.986 1264 2HB ALA 57 2HB ALA 57 18.365 -14.796 -3.576 1265 3HB ALA 57 3HB ALA 57 19.418 -13.406 -3.849 1266 H ARG 58 H ARG 58 17.782 -13.430 -7.681 1267 HA ARG 58 HA ARG 58 15.807 -15.605 -8.080 1268 1HB ARG 58 2HB ARG 58 16.566 -13.145 -9.267 1269 2HB ARG 58 1HB ARG 58 16.861 -14.399 -10.466 1270 1HG ARG 58 2HG ARG 58 14.292 -14.371 -8.932 1271 2HG ARG 58 1HG ARG 58 14.512 -13.269 -10.293 1272 1HD ARG 58 2HD ARG 58 15.271 -15.329 -11.630 1273 2HD ARG 58 1HD ARG 58 14.567 -16.290 -10.317 1274 HE ARG 58 HE ARG 58 12.994 -14.254 -11.854 1275 1HH1 ARG 58 1HH2 ARG 58 13.311 -17.510 -11.772 1276 2HH1 ARG 58 2HH2 ARG 58 11.694 -17.874 -11.266 1277 1HH2 ARG 58 2HH1 ARG 58 10.911 -14.584 -10.499 1278 2HH2 ARG 58 1HH1 ARG 58 10.337 -16.218 -10.546 1279 H LYS 59 H LYS 59 16.512 -16.560 -10.489 1280 HA LYS 59 HA LYS 59 19.199 -17.323 -10.998 1281 1HB LYS 59 2HB LYS 59 19.138 -18.445 -8.861 1282 2HB LYS 59 1HB LYS 59 17.556 -19.141 -9.206 1283 1HG LYS 59 2HG LYS 59 18.422 -20.785 -10.561 1284 2HG LYS 59 1HG LYS 59 19.743 -19.763 -11.130 1285 1HD LYS 59 2HD LYS 59 20.772 -21.410 -9.747 1286 2HD LYS 59 1HD LYS 59 20.709 -19.946 -8.765 1287 1HE LYS 59 2HE LYS 59 19.235 -20.865 -7.279 1288 2HE LYS 59 1HE LYS 59 18.309 -21.672 -8.561 1289 1HZ LYS 59 1HZ LYS 59 19.539 -23.281 -7.221 1290 2HZ LYS 59 2HZ LYS 59 20.999 -22.497 -7.598 1291 3HZ LYS 59 3HZ LYS 59 20.103 -23.263 -8.820 1292 H GLY 60 H GLY 60 17.846 -16.695 -12.970 1293 1HA GLY 60 2HA GLY 60 16.569 -19.138 -14.125 1294 2HA GLY 60 1HA GLY 60 15.798 -17.565 -14.300 1295 H PHE 61 H PHE 61 16.529 -16.171 -15.939 1296 HA PHE 61 HA PHE 61 19.006 -16.907 -17.443 1297 1HB PHE 61 2HB PHE 61 17.662 -17.015 -19.518 1298 2HB PHE 61 1HB PHE 61 17.088 -18.195 -18.334 1299 HD1 PHE 61 HD1 PHE 61 16.476 -14.714 -19.605 1300 HD2 PHE 61 HD2 PHE 61 14.883 -18.102 -17.502 1301 HE1 PHE 61 HE1 PHE 61 14.247 -13.685 -19.621 1302 HE2 PHE 61 HE2 PHE 61 12.648 -17.071 -17.526 1303 HZ PHE 61 HZ PHE 61 12.316 -14.866 -18.590 1304 H ASN 62 H ASN 62 19.635 -15.282 -19.014 1305 HA ASN 62 HA ASN 62 18.462 -12.592 -18.500 1306 1HB ASN 62 2HB ASN 62 20.690 -11.707 -18.477 1307 2HB ASN 62 1HB ASN 62 20.639 -13.097 -17.400 1308 1HD2 ASN 62 1HD2 ASN 62 21.921 -14.945 -17.942 1309 2HD2 ASN 62 2HD2 ASN 62 22.950 -14.991 -19.290 1310 HA PRO 63 HA PRO 63 19.923 -12.744 -23.076 1311 1HB PRO 63 2HB PRO 63 19.486 -15.132 -24.354 1312 2HB PRO 63 1HB PRO 63 21.051 -14.695 -23.637 1313 1HG PRO 63 2HG PRO 63 18.919 -16.477 -22.589 1314 2HG PRO 63 1HG PRO 63 20.679 -16.627 -22.472 1315 1HD PRO 63 2HD PRO 63 19.076 -15.751 -20.444 1316 2HD PRO 63 1HD PRO 63 20.792 -15.312 -20.603 1317 H GLN 64 H GLN 64 17.393 -14.746 -21.741 1318 HA GLN 64 HA GLN 64 15.367 -14.034 -23.740 1319 1HB GLN 64 2HB GLN 64 15.802 -15.860 -21.529 1320 2HB GLN 64 1HB GLN 64 14.250 -15.047 -21.344 1321 1HG GLN 64 2HG GLN 64 14.240 -15.647 -24.026 1322 2HG GLN 64 1HG GLN 64 15.092 -17.033 -23.346 1323 1HE2 GLN 64 1HE2 GLN 64 13.927 -17.899 -21.212 1324 2HE2 GLN 64 2HE2 GLN 64 12.237 -18.018 -21.312 1325 H THR 65 H THR 65 16.861 -12.558 -21.103 1326 HA THR 65 HA THR 65 16.489 -10.595 -19.906 1327 HB THR 65 HB THR 65 15.519 -8.881 -21.164 1328 HG1 THR 65 HG1 THR 65 13.687 -10.860 -21.905 1329 1HG2 THR 65 1HG2 THR 65 15.762 -10.761 -23.469 1330 2HG2 THR 65 2HG2 THR 65 17.179 -10.512 -22.449 1331 3HG2 THR 65 3HG2 THR 65 16.428 -9.140 -23.264 1332 H GLN 66 H GLN 66 15.569 -11.766 -18.044 1333 HA GLN 66 HA GLN 66 13.088 -10.709 -17.223 1334 1HB GLN 66 2HB GLN 66 12.866 -12.924 -18.971 1335 2HB GLN 66 1HB GLN 66 12.276 -13.416 -17.386 1336 1HG GLN 66 2HG GLN 66 10.485 -12.009 -17.480 1337 2HG GLN 66 1HG GLN 66 11.404 -10.736 -18.284 1338 1HE2 GLN 66 1HE2 GLN 66 12.305 -12.019 -20.606 1339 2HE2 GLN 66 2HE2 GLN 66 10.978 -12.513 -21.543 1340 H GLU 67 H GLU 67 15.706 -12.921 -16.632 1341 HA GLU 67 HA GLU 67 15.665 -12.566 -13.815 1342 1HB GLU 67 2HB GLU 67 14.688 -14.907 -13.257 1343 2HB GLU 67 1HB GLU 67 13.543 -13.638 -13.670 1344 1HG GLU 67 2HG GLU 67 13.067 -14.561 -15.747 1345 2HG GLU 67 1HG GLU 67 14.644 -15.340 -15.876 1346 H ALA 68 H ALA 68 17.857 -12.654 -15.185 1347 HA ALA 68 HA ALA 68 19.169 -14.834 -16.160 1348 1HB ALA 68 1HB ALA 68 21.109 -13.713 -15.622 1349 2HB ALA 68 2HB ALA 68 20.462 -13.146 -14.082 1350 3HB ALA 68 3HB ALA 68 19.888 -12.442 -15.595 1351 H LEU 69 H LEU 69 20.616 -16.429 -15.311 1352 HA LEU 69 HA LEU 69 19.502 -17.957 -13.153 1353 1HB LEU 69 2HB LEU 69 21.657 -19.310 -13.686 1354 2HB LEU 69 1HB LEU 69 20.402 -19.182 -14.909 1355 HG LEU 69 HG LEU 69 22.873 -18.783 -15.576 1356 1HD1 LEU 69 1HD1 LEU 69 21.919 -18.158 -17.467 1357 2HD1 LEU 69 2HD1 LEU 69 21.637 -16.549 -16.808 1358 3HD1 LEU 69 3HD1 LEU 69 20.432 -17.818 -16.584 1359 1HD2 LEU 69 1HD2 LEU 69 23.272 -17.100 -13.734 1360 2HD2 LEU 69 2HD2 LEU 69 22.271 -15.980 -14.655 1361 3HD2 LEU 69 3HD2 LEU 69 23.772 -16.588 -15.344 1362 H GLU 70 H GLU 70 20.860 -15.210 -12.450 1363 HA GLU 70 HA GLU 70 21.905 -16.083 -9.932 1364 1HB GLU 70 2HB GLU 70 23.646 -16.787 -11.775 1365 2HB GLU 70 1HB GLU 70 24.091 -15.083 -11.743 1366 1HG GLU 70 2HG GLU 70 25.487 -15.798 -10.072 1367 2HG GLU 70 1HG GLU 70 24.040 -15.563 -9.091 1368 H ILE 71 H ILE 71 20.236 -13.862 -11.073 1369 HA ILE 71 HA ILE 71 21.655 -11.364 -10.943 1370 HB ILE 71 HB ILE 71 19.404 -10.446 -10.730 1371 1HG1 ILE 71 2HG1 ILE 71 17.756 -12.698 -10.593 1372 2HG1 ILE 71 1HG1 ILE 71 18.955 -12.921 -9.319 1373 1HG2 ILE 71 1HG2 ILE 71 18.399 -11.375 -12.667 1374 2HG2 ILE 71 2HG2 ILE 71 19.099 -12.964 -12.360 1375 3HG2 ILE 71 3HG2 ILE 71 20.130 -11.631 -12.883 1376 1HD1 ILE 71 1HD1 ILE 71 16.856 -10.826 -9.609 1377 2HD1 ILE 71 2HD1 ILE 71 18.400 -10.315 -8.931 1378 3HD1 ILE 71 3HD1 ILE 71 17.478 -11.598 -8.151 1379 H ALA 72 H ALA 72 20.315 -9.940 -8.906 1380 HA ALA 72 HA ALA 72 21.608 -11.191 -6.521 1381 1HB ALA 72 1HB ALA 72 21.207 -8.532 -5.969 1382 2HB ALA 72 2HB ALA 72 21.453 -8.514 -7.715 1383 3HB ALA 72 3HB ALA 72 22.683 -9.206 -6.658 1384 HA PRO 73 HA PRO 73 17.965 -11.088 -4.187 1385 1HB PRO 73 2HB PRO 73 18.916 -10.238 -1.772 1386 2HB PRO 73 1HB PRO 73 19.286 -11.835 -2.428 1387 1HG PRO 73 2HG PRO 73 20.964 -9.390 -2.375 1388 2HG PRO 73 1HG PRO 73 21.424 -11.086 -2.156 1389 1HD PRO 73 2HD PRO 73 21.785 -9.684 -4.475 1390 2HD PRO 73 1HD PRO 73 21.621 -11.450 -4.397 1391 H SER 74 H SER 74 17.520 -9.270 -2.042 1392 HA SER 74 HA SER 74 17.721 -6.523 -2.366 1393 1HB SER 74 2HB SER 74 16.864 -6.585 -4.587 1394 2HB SER 74 1HB SER 74 15.672 -7.815 -4.181 1395 HG SER 74 HG SER 74 14.508 -6.291 -3.069 1396 H VAL 75 H VAL 75 16.418 -5.508 -0.718 1397 HA VAL 75 HA VAL 75 15.327 -7.116 1.322 1398 HB VAL 75 HB VAL 75 15.839 -4.459 0.916 1399 1HG1 VAL 75 1HG1 VAL 75 13.649 -4.145 -0.230 1400 2HG1 VAL 75 2HG1 VAL 75 13.754 -3.219 1.267 1401 3HG1 VAL 75 3HG1 VAL 75 12.830 -4.719 1.224 1402 1HG2 VAL 75 1HG2 VAL 75 14.427 -4.344 3.221 1403 2HG2 VAL 75 2HG2 VAL 75 16.026 -5.081 3.109 1404 3HG2 VAL 75 3HG2 VAL 75 14.582 -6.092 3.052 1405 H GLY 76 H GLY 76 12.878 -6.974 1.998 1406 1HA GLY 76 2HA GLY 76 11.281 -7.591 -0.464 1407 2HA GLY 76 1HA GLY 76 11.033 -8.392 1.085 1408 H VAL 77 H VAL 77 11.027 -5.104 -0.319 1409 HA VAL 77 HA VAL 77 9.509 -3.847 1.737 1410 HB VAL 77 HB VAL 77 10.644 -2.553 0.037 1411 1HG1 VAL 77 1HG1 VAL 77 9.577 -4.578 -1.711 1412 2HG1 VAL 77 2HG1 VAL 77 10.811 -3.367 -2.057 1413 3HG1 VAL 77 3HG1 VAL 77 9.110 -2.990 -2.319 1414 1HG2 VAL 77 1HG2 VAL 77 9.026 -0.980 0.050 1415 2HG2 VAL 77 2HG2 VAL 77 7.889 -2.208 0.600 1416 3HG2 VAL 77 3HG2 VAL 77 8.078 -1.891 -1.124 1417 H SER 78 H SER 78 8.033 -5.725 2.181 1418 HA SER 78 HA SER 78 5.948 -6.348 0.240 1419 1HB SER 78 2HB SER 78 6.525 -8.043 1.773 1420 2HB SER 78 1HB SER 78 6.524 -6.933 3.139 1421 HG SER 78 HG SER 78 4.346 -8.022 1.708 1422 H VAL 79 H VAL 79 3.619 -6.185 1.137 1423 HA VAL 79 HA VAL 79 2.702 -4.089 2.821 1424 HB VAL 79 HB VAL 79 3.816 -2.632 1.184 1425 1HG1 VAL 79 1HG1 VAL 79 2.698 -4.599 -0.676 1426 2HG1 VAL 79 2HG1 VAL 79 4.075 -3.517 -0.880 1427 3HG1 VAL 79 3HG1 VAL 79 2.442 -2.936 -1.205 1428 1HG2 VAL 79 1HG2 VAL 79 1.994 -1.216 0.585 1429 2HG2 VAL 79 2HG2 VAL 79 1.477 -2.041 2.055 1430 3HG2 VAL 79 3HG2 VAL 79 0.874 -2.573 0.485 1431 H LYS 80 H LYS 80 0.229 -3.583 2.067 1432 HA LYS 80 HA LYS 80 -0.989 -5.459 0.252 1433 1HB LYS 80 2HB LYS 80 -2.056 -6.874 1.988 1434 2HB LYS 80 1HB LYS 80 -0.299 -6.970 2.089 1435 1HG LYS 80 2HG LYS 80 -0.292 -5.323 3.911 1436 2HG LYS 80 1HG LYS 80 -2.045 -5.170 3.794 1437 1HD LYS 80 2HD LYS 80 -2.156 -6.828 5.326 1438 2HD LYS 80 1HD LYS 80 -1.656 -7.913 4.030 1439 1HE LYS 80 2HE LYS 80 0.768 -6.911 4.775 1440 2HE LYS 80 1HE LYS 80 -0.090 -6.891 6.329 1441 1HZ LYS 80 1HZ LYS 80 0.807 -9.062 6.057 1442 2HZ LYS 80 2HZ LYS 80 0.212 -9.186 4.470 1443 3HZ LYS 80 3HZ LYS 80 -0.863 -9.183 5.787 1444 HA PRO 81 HA PRO 81 -4.426 -2.793 1.192 1445 1HB PRO 81 2HB PRO 81 -6.411 -4.300 0.084 1446 2HB PRO 81 1HB PRO 81 -5.152 -3.517 -0.888 1447 1HG PRO 81 2HG PRO 81 -5.556 -6.344 -0.338 1448 2HG PRO 81 1HG PRO 81 -4.521 -5.574 -1.547 1449 1HD PRO 81 2HD PRO 81 -3.789 -6.656 1.057 1450 2HD PRO 81 1HD PRO 81 -2.736 -6.110 -0.268 1451 H GLY 82 H GLY 82 -5.734 -2.472 2.994 1452 1HA GLY 82 2HA GLY 82 -6.360 -4.804 4.709 1453 2HA GLY 82 1HA GLY 82 -6.584 -3.110 5.157 1454 H GLU 83 H GLU 83 -8.801 -3.927 5.825 1455 HA GLU 83 HA GLU 83 -10.640 -4.652 3.645 1456 1HB GLU 83 2HB GLU 83 -12.285 -4.665 5.511 1457 2HB GLU 83 1HB GLU 83 -10.855 -5.630 5.872 1458 1HG GLU 83 2HG GLU 83 -10.500 -2.849 6.675 1459 2HG GLU 83 1HG GLU 83 -11.907 -3.574 7.454 1460 H SER 84 H SER 84 -9.546 -1.738 5.175 1461 HA SER 84 HA SER 84 -11.754 -0.003 4.972 1462 1HB SER 84 2HB SER 84 -9.012 0.839 4.076 1463 2HB SER 84 1HB SER 84 -10.135 1.679 5.139 1464 HG SER 84 HG SER 84 -9.224 0.705 6.753 1465 H LEU 85 H LEU 85 -9.517 -1.122 2.452 1466 HA LEU 85 HA LEU 85 -10.723 0.521 0.349 1467 1HB LEU 85 2HB LEU 85 -9.036 -1.963 -0.010 1468 2HB LEU 85 1HB LEU 85 -9.117 -0.547 -1.049 1469 HG LEU 85 HG LEU 85 -8.271 0.139 1.664 1470 1HD1 LEU 85 1HD1 LEU 85 -6.241 -1.443 0.127 1471 2HD1 LEU 85 2HD1 LEU 85 -7.383 -2.297 1.165 1472 3HD1 LEU 85 3HD1 LEU 85 -6.303 -1.086 1.851 1473 1HD2 LEU 85 1HD2 LEU 85 -7.832 0.917 -1.069 1474 2HD2 LEU 85 2HD2 LEU 85 -6.270 0.619 -0.308 1475 3HD2 LEU 85 3HD2 LEU 85 -7.388 1.783 0.401 1476 H LYS 86 H LYS 86 -11.020 -2.769 1.591 1477 HA LYS 86 HA LYS 86 -12.642 -3.765 -0.581 1478 1HB LYS 86 2HB LYS 86 -11.357 -4.706 1.773 1479 2HB LYS 86 1HB LYS 86 -13.056 -5.158 1.901 1480 1HG LYS 86 2HG LYS 86 -12.998 -6.423 -0.086 1481 2HG LYS 86 1HG LYS 86 -11.524 -5.634 -0.652 1482 1HD LYS 86 2HD LYS 86 -10.152 -6.886 0.742 1483 2HD LYS 86 1HD LYS 86 -11.434 -7.168 1.921 1484 1HE LYS 86 2HE LYS 86 -11.745 -8.318 -0.839 1485 2HE LYS 86 1HE LYS 86 -10.686 -9.139 0.325 1486 1HZ LYS 86 1HZ LYS 86 -13.483 -8.287 0.869 1487 2HZ LYS 86 2HZ LYS 86 -12.462 -9.125 1.939 1488 3HZ LYS 86 3HZ LYS 86 -13.008 -9.877 0.517 1489 H LYS 87 H LYS 87 -13.403 -2.585 2.674 1490 HA LYS 87 HA LYS 87 -16.240 -2.938 2.463 1491 1HB LYS 87 2HB LYS 87 -15.118 -2.562 4.599 1492 2HB LYS 87 1HB LYS 87 -14.467 -1.025 4.029 1493 1HG LYS 87 2HG LYS 87 -17.395 -1.206 3.808 1494 2HG LYS 87 1HG LYS 87 -16.808 -1.318 5.467 1495 1HD LYS 87 2HD LYS 87 -16.170 0.856 5.508 1496 2HD LYS 87 1HD LYS 87 -15.457 0.767 3.898 1497 1HE LYS 87 2HE LYS 87 -17.365 1.523 2.876 1498 2HE LYS 87 1HE LYS 87 -18.426 0.633 3.986 1499 1HZ LYS 87 1HZ LYS 87 -16.792 2.958 4.833 1500 2HZ LYS 87 2HZ LYS 87 -18.051 2.204 5.689 1501 3HZ LYS 87 3HZ LYS 87 -18.393 3.115 4.296 1502 H ALA 88 H ALA 88 -13.977 -0.371 1.630 1503 HA ALA 88 HA ALA 88 -15.957 1.521 0.699 1504 1HB ALA 88 1HB ALA 88 -13.495 1.880 1.340 1505 2HB ALA 88 2HB ALA 88 -14.010 2.661 -0.155 1506 3HB ALA 88 3HB ALA 88 -13.086 1.160 -0.217 1507 H ALA 89 H ALA 89 -14.191 -1.229 -0.630 1508 HA ALA 89 HA ALA 89 -14.763 -0.902 -3.395 1509 1HB ALA 89 1HB ALA 89 -14.835 -3.582 -2.029 1510 2HB ALA 89 2HB ALA 89 -13.341 -2.644 -2.020 1511 3HB ALA 89 3HB ALA 89 -14.064 -3.137 -3.549 1512 H GLU 90 H GLU 90 -16.662 -2.470 -0.823 1513 HA GLU 90 HA GLU 90 -18.877 -3.325 -2.383 1514 1HB GLU 90 2HB GLU 90 -18.320 -2.505 0.434 1515 2HB GLU 90 1HB GLU 90 -20.017 -2.523 -0.048 1516 1HG GLU 90 2HG GLU 90 -19.556 -4.870 -0.988 1517 2HG GLU 90 1HG GLU 90 -18.047 -4.814 -0.074 1518 H GLY 91 H GLY 91 -17.857 -0.200 -1.153 1519 1HA GLY 91 2HA GLY 91 -20.232 1.293 -1.778 1520 2HA GLY 91 1HA GLY 91 -18.618 1.977 -1.589 1521 H LEU 92 H LEU 92 -17.368 0.402 -3.764 1522 HA LEU 92 HA LEU 92 -18.117 2.105 -6.000 1523 1HB LEU 92 2HB LEU 92 -16.126 1.300 -6.874 1524 2HB LEU 92 1HB LEU 92 -15.872 0.910 -5.180 1525 HG LEU 92 HG LEU 92 -17.169 -1.337 -5.974 1526 1HD1 LEU 92 1HD1 LEU 92 -16.384 0.010 -8.396 1527 2HD1 LEU 92 2HD1 LEU 92 -17.203 -1.540 -8.218 1528 3HD1 LEU 92 3HD1 LEU 92 -15.442 -1.471 -8.231 1529 1HD2 LEU 92 1HD2 LEU 92 -14.404 -0.510 -5.507 1530 2HD2 LEU 92 2HD2 LEU 92 -14.507 -1.892 -6.596 1531 3HD2 LEU 92 3HD2 LEU 92 -15.235 -1.979 -4.995 1532 H LYS 93 H LYS 93 -19.911 -0.325 -4.836 1533 HA LYS 93 HA LYS 93 -21.486 -1.800 -5.806 1534 1HB LYS 93 2HB LYS 93 -20.734 -0.332 -8.366 1535 2HB LYS 93 1HB LYS 93 -22.230 -1.208 -8.053 1536 1HG LYS 93 2HG LYS 93 -23.144 0.670 -7.221 1537 2HG LYS 93 1HG LYS 93 -21.919 0.689 -5.952 1538 1HD LYS 93 2HD LYS 93 -21.678 2.776 -7.065 1539 2HD LYS 93 1HD LYS 93 -20.368 1.773 -7.689 1540 1HE LYS 93 2HE LYS 93 -22.492 1.193 -9.402 1541 2HE LYS 93 1HE LYS 93 -22.630 2.940 -9.127 1542 1HZ LYS 93 1HZ LYS 93 -20.123 1.508 -9.836 1543 2HZ LYS 93 2HZ LYS 93 -20.281 3.182 -9.591 1544 3HZ LYS 93 3HZ LYS 93 -21.049 2.437 -10.910 1545 H TYR 94 H TYR 94 -18.797 -2.524 -5.434 1546 HA TYR 94 HA TYR 94 -17.192 -3.601 -7.341 1547 1HB TYR 94 2HB TYR 94 -16.337 -4.592 -5.512 1548 2HB TYR 94 1HB TYR 94 -17.691 -3.916 -4.621 1549 HD1 TYR 94 HD1 TYR 94 -16.468 -6.885 -6.449 1550 HD2 TYR 94 HD2 TYR 94 -19.479 -5.283 -3.849 1551 HE1 TYR 94 HE1 TYR 94 -17.345 -9.178 -6.071 1552 HE2 TYR 94 HE2 TYR 94 -20.361 -7.573 -3.462 1553 HH TYR 94 HH TYR 94 -19.592 -9.882 -3.585 1554 H GLU 95 H GLU 95 -20.317 -4.999 -6.363 1555 HA GLU 95 HA GLU 95 -20.150 -7.413 -7.879 1556 1HB GLU 95 2HB GLU 95 -22.607 -7.411 -7.608 1557 2HB GLU 95 1HB GLU 95 -21.801 -6.952 -6.108 1558 1HG GLU 95 2HG GLU 95 -22.113 -4.521 -6.856 1559 2HG GLU 95 1HG GLU 95 -23.204 -5.149 -8.090 1560 H ASP 96 H ASP 96 -21.402 -4.188 -8.743 1561 HA ASP 96 HA ASP 96 -22.338 -4.811 -11.367 1562 1HB ASP 96 2HB ASP 96 -21.316 -2.386 -9.909 1563 2HB ASP 96 1HB ASP 96 -21.611 -2.272 -11.644 1564 H PHE 97 H PHE 97 -19.151 -4.107 -10.054 1565 HA PHE 97 HA PHE 97 -17.757 -3.919 -12.598 1566 1HB PHE 97 2HB PHE 97 -17.272 -3.501 -9.864 1567 2HB PHE 97 1HB PHE 97 -16.211 -4.843 -10.292 1568 HD1 PHE 97 HD1 PHE 97 -14.137 -4.379 -11.243 1569 HD2 PHE 97 HD2 PHE 97 -17.300 -1.494 -11.592 1570 HE1 PHE 97 HE1 PHE 97 -12.572 -2.796 -12.335 1571 HE2 PHE 97 HE2 PHE 97 -15.735 0.089 -12.684 1572 HZ PHE 97 HZ PHE 97 -13.371 -0.561 -13.056 1573 H ALA 98 H ALA 98 -18.771 -6.503 -10.460 1574 HA ALA 98 HA ALA 98 -17.039 -8.595 -11.387 1575 1HB ALA 98 1HB ALA 98 -18.929 -8.224 -9.441 1576 2HB ALA 98 2HB ALA 98 -18.273 -9.800 -9.880 1577 3HB ALA 98 3HB ALA 98 -19.805 -9.260 -10.567 1578 H LYS 99 H LYS 99 -20.506 -8.147 -12.111 1579 HA LYS 99 HA LYS 99 -20.467 -9.911 -14.400 1580 1HB LYS 99 2HB LYS 99 -22.388 -7.757 -13.456 1581 2HB LYS 99 1HB LYS 99 -22.758 -8.936 -14.716 1582 1HG LYS 99 2HG LYS 99 -21.972 -10.661 -12.853 1583 2HG LYS 99 1HG LYS 99 -22.437 -9.349 -11.769 1584 1HD LYS 99 2HD LYS 99 -24.269 -10.294 -13.974 1585 2HD LYS 99 1HD LYS 99 -24.262 -11.064 -12.387 1586 1HE LYS 99 2HE LYS 99 -25.820 -9.441 -11.900 1587 2HE LYS 99 1HE LYS 99 -24.384 -8.422 -11.673 1588 1HZ LYS 99 1HZ LYS 99 -26.043 -7.523 -13.294 1589 2HZ LYS 99 2HZ LYS 99 -25.693 -8.844 -14.304 1590 3HZ LYS 99 3HZ LYS 99 -24.480 -7.717 -13.924 Start of MODEL 22 1 1H MET 1 1H MET 1 4.594 3.071 10.109 2 2H MET 1 2H MET 1 4.852 3.455 11.744 3 3H MET 1 3H MET 1 5.905 4.054 10.552 4 HA MET 1 HA MET 1 3.929 5.510 11.574 5 1HB MET 1 2HB MET 1 4.077 6.723 9.322 6 2HB MET 1 1HB MET 1 5.605 6.418 10.144 7 1HG MET 1 2HG MET 1 5.296 4.132 8.644 8 2HG MET 1 1HG MET 1 4.596 5.360 7.593 9 1HE MET 1 1HE MET 1 7.108 8.132 8.159 10 2HE MET 1 2HE MET 1 5.453 7.631 7.824 11 3HE MET 1 3HE MET 1 6.644 7.635 6.526 12 H ASN 2 H ASN 2 2.125 6.556 9.993 13 HA ASN 2 HA ASN 2 0.688 4.798 8.299 14 1HB ASN 2 2HB ASN 2 -1.161 4.188 9.836 15 2HB ASN 2 1HB ASN 2 0.382 3.599 10.448 16 1HD2 ASN 2 1HD2 ASN 2 -1.970 4.210 12.107 17 2HD2 ASN 2 2HD2 ASN 2 -1.515 5.464 13.157 18 H LYS 3 H LYS 3 -1.993 5.772 9.241 19 HA LYS 3 HA LYS 3 -2.303 8.067 7.649 20 1HB LYS 3 2HB LYS 3 -3.825 6.440 9.451 21 2HB LYS 3 1HB LYS 3 -4.165 8.126 9.832 22 1HG LYS 3 2HG LYS 3 -4.322 8.317 7.174 23 2HG LYS 3 1HG LYS 3 -4.714 6.604 7.317 24 1HD LYS 3 2HD LYS 3 -6.359 7.438 9.198 25 2HD LYS 3 1HD LYS 3 -6.218 8.983 8.362 26 1HE LYS 3 2HE LYS 3 -7.555 8.274 6.654 27 2HE LYS 3 1HE LYS 3 -6.660 6.749 6.500 28 1HZ LYS 3 1HZ LYS 3 -8.776 7.414 8.469 29 2HZ LYS 3 2HZ LYS 3 -7.757 6.063 8.631 30 3HZ LYS 3 3HZ LYS 3 -8.802 6.188 7.297 31 H THR 4 H THR 4 -0.612 7.915 10.609 32 HA THR 4 HA THR 4 -1.026 10.850 11.074 33 HB THR 4 HB THR 4 -0.351 8.551 12.930 34 HG1 THR 4 HG1 THR 4 -2.381 8.678 13.434 35 1HG2 THR 4 1HG2 THR 4 -0.382 11.538 13.407 36 2HG2 THR 4 2HG2 THR 4 0.930 10.406 13.727 37 3HG2 THR 4 3HG2 THR 4 -0.529 10.365 14.716 38 H GLU 5 H GLU 5 1.458 8.391 11.857 39 HA GLU 5 HA GLU 5 3.663 10.086 12.011 40 1HB GLU 5 2HB GLU 5 3.245 7.246 11.157 41 2HB GLU 5 1HB GLU 5 4.861 7.943 11.078 42 1HG GLU 5 2HG GLU 5 4.046 8.751 13.565 43 2HG GLU 5 1HG GLU 5 3.255 7.180 13.433 44 H LEU 6 H LEU 6 2.200 8.642 9.103 45 HA LEU 6 HA LEU 6 4.129 9.651 7.223 46 1HB LEU 6 2HB LEU 6 1.190 8.928 7.065 47 2HB LEU 6 1HB LEU 6 2.129 9.379 5.643 48 HG LEU 6 HG LEU 6 2.990 7.174 7.526 49 1HD1 LEU 6 1HD1 LEU 6 1.742 5.628 6.385 50 2HD1 LEU 6 2HD1 LEU 6 1.842 6.518 4.865 51 3HD1 LEU 6 3HD1 LEU 6 0.692 7.018 6.106 52 1HD2 LEU 6 1HD2 LEU 6 4.436 8.500 5.664 53 2HD2 LEU 6 2HD2 LEU 6 3.699 7.272 4.636 54 3HD2 LEU 6 3HD2 LEU 6 4.682 6.790 6.018 55 H ILE 7 H ILE 7 1.266 11.135 8.751 56 HA ILE 7 HA ILE 7 1.101 13.450 7.083 57 HB ILE 7 HB ILE 7 -0.281 14.349 8.765 58 1HG1 ILE 7 2HG1 ILE 7 0.044 12.867 11.122 59 2HG1 ILE 7 1HG1 ILE 7 1.675 13.261 10.607 60 1HG2 ILE 7 1HG2 ILE 7 -1.149 12.234 7.873 61 2HG2 ILE 7 2HG2 ILE 7 -1.672 12.493 9.536 62 3HG2 ILE 7 3HG2 ILE 7 -0.373 11.360 9.191 63 1HD1 ILE 7 1HD1 ILE 7 -0.596 15.222 10.984 64 2HD1 ILE 7 2HD1 ILE 7 0.999 15.644 10.362 65 3HD1 ILE 7 3HD1 ILE 7 0.825 15.057 12.017 66 H LYS 8 H LYS 8 3.098 12.648 9.863 67 HA LYS 8 HA LYS 8 4.422 15.216 10.042 68 1HB LYS 8 2HB LYS 8 5.475 12.469 10.791 69 2HB LYS 8 1HB LYS 8 5.953 14.012 11.492 70 1HG LYS 8 2HG LYS 8 3.586 14.288 12.311 71 2HG LYS 8 1HG LYS 8 3.264 12.642 11.765 72 1HD LYS 8 2HD LYS 8 5.178 13.547 13.923 73 2HD LYS 8 1HD LYS 8 3.822 12.430 14.070 74 1HE LYS 8 2HE LYS 8 5.053 10.869 12.485 75 2HE LYS 8 1HE LYS 8 6.456 11.938 12.641 76 1HZ LYS 8 1HZ LYS 8 6.342 10.074 14.306 77 2HZ LYS 8 2HZ LYS 8 4.991 10.852 14.981 78 3HZ LYS 8 3HZ LYS 8 6.504 11.626 14.968 79 H ALA 9 H ALA 9 4.903 12.217 8.245 80 HA ALA 9 HA ALA 9 7.498 12.611 7.208 81 1HB ALA 9 1HB ALA 9 5.724 10.698 6.985 82 2HB ALA 9 2HB ALA 9 6.843 10.970 5.650 83 3HB ALA 9 3HB ALA 9 5.193 11.586 5.558 84 H ILE 10 H ILE 10 4.355 13.921 6.092 85 HA ILE 10 HA ILE 10 5.747 15.476 3.998 86 HB ILE 10 HB ILE 10 2.985 14.589 4.713 87 1HG1 ILE 10 2HG1 ILE 10 2.795 14.412 2.248 88 2HG1 ILE 10 1HG1 ILE 10 4.388 15.149 2.086 89 1HG2 ILE 10 1HG2 ILE 10 2.009 16.408 3.219 90 2HG2 ILE 10 2HG2 ILE 10 3.536 17.267 3.421 91 3HG2 ILE 10 3HG2 ILE 10 2.522 16.930 4.823 92 1HD1 ILE 10 1HD1 ILE 10 3.816 12.573 3.578 93 2HD1 ILE 10 2HD1 ILE 10 5.404 13.298 3.329 94 3HD1 ILE 10 3HD1 ILE 10 4.496 12.669 1.954 95 H ALA 11 H ALA 11 4.242 15.751 7.153 96 HA ALA 11 HA ALA 11 4.073 18.631 7.148 97 1HB ALA 11 1HB ALA 11 4.447 16.662 9.436 98 2HB ALA 11 2HB ALA 11 2.898 16.966 8.653 99 3HB ALA 11 3HB ALA 11 3.705 18.254 9.545 100 H GLN 12 H GLN 12 6.714 16.485 7.110 101 HA GLN 12 HA GLN 12 8.503 18.597 8.225 102 1HB GLN 12 2HB GLN 12 8.885 15.581 8.182 103 2HB GLN 12 1HB GLN 12 9.954 16.747 8.959 104 1HG GLN 12 2HG GLN 12 7.144 16.985 9.800 105 2HG GLN 12 1HG GLN 12 7.877 15.434 10.209 106 1HE2 GLN 12 1HE2 GLN 12 10.075 15.597 11.368 107 2HE2 GLN 12 2HE2 GLN 12 10.309 16.900 12.429 108 H ASP 13 H ASP 13 8.187 16.002 5.757 109 HA ASP 13 HA ASP 13 10.636 16.748 4.352 110 1HB ASP 13 2HB ASP 13 8.080 15.280 3.610 111 2HB ASP 13 1HB ASP 13 9.427 15.464 2.487 112 H THR 14 H THR 14 7.402 17.809 4.594 113 HA THR 14 HA THR 14 7.655 19.771 2.374 114 HB THR 14 HB THR 14 5.057 19.440 3.687 115 HG1 THR 14 HG1 THR 14 6.298 17.126 2.616 116 1HG2 THR 14 1HG2 THR 14 6.144 19.701 1.081 117 2HG2 THR 14 2HG2 THR 14 4.446 19.730 1.564 118 3HG2 THR 14 3HG2 THR 14 5.212 18.207 1.120 119 H GLY 15 H GLY 15 5.663 19.880 5.317 120 1HA GLY 15 2HA GLY 15 5.714 21.311 7.185 121 2HA GLY 15 1HA GLY 15 7.383 21.695 6.770 122 H LEU 16 H LEU 16 5.453 22.178 4.116 123 HA LEU 16 HA LEU 16 5.858 24.940 3.823 124 1HB LEU 16 2HB LEU 16 3.651 23.077 2.917 125 2HB LEU 16 1HB LEU 16 3.818 24.726 2.310 126 HG LEU 16 HG LEU 16 6.339 23.888 1.992 127 1HD1 LEU 16 1HD1 LEU 16 4.756 21.483 2.398 128 2HD1 LEU 16 2HD1 LEU 16 6.502 21.690 2.359 129 3HD1 LEU 16 3HD1 LEU 16 5.612 21.489 0.864 130 1HD2 LEU 16 1HD2 LEU 16 4.129 24.448 0.350 131 2HD2 LEU 16 2HD2 LEU 16 4.711 22.886 -0.223 132 3HD2 LEU 16 3HD2 LEU 16 5.798 24.274 -0.192 133 H THR 17 H THR 17 2.674 23.584 4.534 134 HA THR 17 HA THR 17 2.185 25.773 6.498 135 HB THR 17 HB THR 17 1.256 25.802 3.973 136 HG1 THR 17 HG1 THR 17 0.470 27.470 4.950 137 1HG2 THR 17 1HG2 THR 17 -0.814 24.224 5.531 138 2HG2 THR 17 2HG2 THR 17 0.139 23.627 4.173 139 3HG2 THR 17 3HG2 THR 17 -1.042 24.908 3.926 140 H GLN 18 H GLN 18 2.578 22.576 6.158 141 HA GLN 18 HA GLN 18 1.761 20.678 7.276 142 1HB GLN 18 2HB GLN 18 0.368 22.636 9.122 143 2HB GLN 18 1HB GLN 18 1.066 21.068 9.529 144 1HG GLN 18 2HG GLN 18 3.287 22.266 8.632 145 2HG GLN 18 1HG GLN 18 2.411 23.703 9.157 146 1HE2 GLN 18 1HE2 GLN 18 0.997 22.460 11.383 147 2HE2 GLN 18 2HE2 GLN 18 2.150 22.093 12.574 148 H VAL 19 H VAL 19 0.337 22.193 5.182 149 HA VAL 19 HA VAL 19 -2.139 22.750 4.843 150 HB VAL 19 HB VAL 19 -1.091 21.892 2.929 151 1HG1 VAL 19 1HG1 VAL 19 -0.547 19.279 2.963 152 2HG1 VAL 19 2HG1 VAL 19 -0.419 19.598 4.693 153 3HG1 VAL 19 3HG1 VAL 19 0.596 20.484 3.556 154 1HG2 VAL 19 1HG2 VAL 19 -2.774 20.765 1.930 155 2HG2 VAL 19 2HG2 VAL 19 -3.570 20.768 3.502 156 3HG2 VAL 19 3HG2 VAL 19 -2.601 19.386 3.009 157 H SER 20 H SER 20 -2.294 19.325 4.808 158 HA SER 20 HA SER 20 -4.065 19.231 7.150 159 1HB SER 20 2HB SER 20 -4.521 18.539 4.273 160 2HB SER 20 1HB SER 20 -5.273 17.533 5.491 161 HG SER 20 HG SER 20 -6.036 19.599 6.406 162 H VAL 21 H VAL 21 -1.178 18.494 6.332 163 HA VAL 21 HA VAL 21 -0.315 16.116 5.729 164 HB VAL 21 HB VAL 21 0.977 16.023 7.869 165 1HG1 VAL 21 1HG1 VAL 21 0.757 18.271 6.035 166 2HG1 VAL 21 2HG1 VAL 21 2.200 17.509 6.701 167 3HG1 VAL 21 3HG1 VAL 21 1.372 18.772 7.611 168 1HG2 VAL 21 1HG2 VAL 21 -0.992 18.186 8.643 169 2HG2 VAL 21 2HG2 VAL 21 0.533 17.924 9.487 170 3HG2 VAL 21 3HG2 VAL 21 -0.696 16.660 9.476 171 H SER 22 H SER 22 -2.442 16.658 8.416 172 HA SER 22 HA SER 22 -2.808 13.759 8.949 173 1HB SER 22 2HB SER 22 -3.399 16.353 10.220 174 2HB SER 22 1HB SER 22 -4.647 15.134 10.463 175 HG SER 22 HG SER 22 -3.314 14.503 11.979 176 H LYS 23 H LYS 23 -4.627 16.486 7.597 177 HA LYS 23 HA LYS 23 -6.981 14.819 7.088 178 1HB LYS 23 2HB LYS 23 -6.240 17.617 7.187 179 2HB LYS 23 1HB LYS 23 -7.169 17.268 5.729 180 1HG LYS 23 2HG LYS 23 -8.642 15.890 7.507 181 2HG LYS 23 1HG LYS 23 -7.996 17.128 8.582 182 1HD LYS 23 2HD LYS 23 -9.704 17.486 6.122 183 2HD LYS 23 1HD LYS 23 -9.981 18.103 7.751 184 1HE LYS 23 2HE LYS 23 -7.737 19.415 7.359 185 2HE LYS 23 1HE LYS 23 -8.086 19.125 5.642 186 1HZ LYS 23 1HZ LYS 23 -9.176 21.144 6.312 187 2HZ LYS 23 2HZ LYS 23 -9.904 20.371 7.639 188 3HZ LYS 23 3HZ LYS 23 -10.360 19.957 6.055 189 H MET 24 H MET 24 -4.192 16.057 5.193 190 HA MET 24 HA MET 24 -5.440 15.242 2.683 191 1HB MET 24 2HB MET 24 -2.808 15.443 2.045 192 2HB MET 24 1HB MET 24 -3.893 16.820 2.120 193 1HG MET 24 2HG MET 24 -2.836 17.687 3.925 194 2HG MET 24 1HG MET 24 -2.701 16.112 4.701 195 1HE MET 24 1HE MET 24 -1.165 14.668 4.729 196 2HE MET 24 2HE MET 24 0.295 14.494 3.757 197 3HE MET 24 3HE MET 24 -1.283 14.207 3.026 198 H LEU 25 H LEU 25 -2.915 13.783 4.865 199 HA LEU 25 HA LEU 25 -2.629 11.463 3.143 200 1HB LEU 25 2HB LEU 25 -1.890 12.293 5.898 201 2HB LEU 25 1HB LEU 25 -1.921 10.558 5.570 202 HG LEU 25 HG LEU 25 -0.554 12.480 3.707 203 1HD1 LEU 25 1HD1 LEU 25 1.406 11.139 5.221 204 2HD1 LEU 25 2HD1 LEU 25 0.252 11.773 6.392 205 3HD1 LEU 25 3HD1 LEU 25 1.038 12.862 5.249 206 1HD2 LEU 25 1HD2 LEU 25 -1.182 10.009 3.177 207 2HD2 LEU 25 2HD2 LEU 25 0.141 9.602 4.271 208 3HD2 LEU 25 3HD2 LEU 25 0.459 10.548 2.817 209 H ALA 26 H ALA 26 -4.522 12.106 6.122 210 HA ALA 26 HA ALA 26 -5.889 9.612 6.272 211 1HB ALA 26 1HB ALA 26 -6.832 12.437 6.896 212 2HB ALA 26 2HB ALA 26 -5.941 11.388 7.999 213 3HB ALA 26 3HB ALA 26 -7.580 10.963 7.509 214 H SER 27 H SER 27 -6.347 12.484 4.285 215 HA SER 27 HA SER 27 -8.863 11.641 3.084 216 1HB SER 27 2HB SER 27 -8.350 13.970 3.048 217 2HB SER 27 1HB SER 27 -6.706 13.678 2.491 218 HG SER 27 HG SER 27 -7.487 13.142 0.496 219 H PHE 28 H PHE 28 -5.416 11.383 2.372 220 HA PHE 28 HA PHE 28 -5.603 10.217 -0.246 221 1HB PHE 28 2HB PHE 28 -3.447 10.838 0.156 222 2HB PHE 28 1HB PHE 28 -3.639 10.667 1.894 223 HD1 PHE 28 HD1 PHE 28 -2.929 8.676 3.041 224 HD2 PHE 28 HD2 PHE 28 -2.976 8.769 -1.256 225 HE1 PHE 28 HE1 PHE 28 -1.580 6.619 2.984 226 HE2 PHE 28 HE2 PHE 28 -1.629 6.708 -1.303 227 HZ PHE 28 HZ PHE 28 -0.920 5.635 0.803 228 H GLU 29 H GLU 29 -5.752 8.924 3.013 229 HA GLU 29 HA GLU 29 -5.803 6.144 2.104 230 1HB GLU 29 2HB GLU 29 -5.900 7.725 4.657 231 2HB GLU 29 1HB GLU 29 -6.376 6.021 4.681 232 1HG GLU 29 2HG GLU 29 -4.278 5.294 4.220 233 2HG GLU 29 1HG GLU 29 -3.963 6.619 3.116 234 H LYS 30 H LYS 30 -7.903 8.730 3.048 235 HA LYS 30 HA LYS 30 -10.348 7.165 3.138 236 1HB LYS 30 2HB LYS 30 -9.993 9.385 4.246 237 2HB LYS 30 1HB LYS 30 -9.878 10.126 2.649 238 1HG LYS 30 2HG LYS 30 -12.139 9.532 2.112 239 2HG LYS 30 1HG LYS 30 -12.271 8.506 3.539 240 1HD LYS 30 2HD LYS 30 -11.491 11.032 4.513 241 2HD LYS 30 1HD LYS 30 -12.728 11.360 3.300 242 1HE LYS 30 2HE LYS 30 -13.347 9.094 5.106 243 2HE LYS 30 1HE LYS 30 -13.311 10.690 5.881 244 1HZ LYS 30 1HZ LYS 30 -15.480 10.337 4.941 245 2HZ LYS 30 2HZ LYS 30 -14.814 9.947 3.427 246 3HZ LYS 30 3HZ LYS 30 -14.684 11.529 4.034 247 H ILE 31 H ILE 31 -8.400 8.755 0.656 248 HA ILE 31 HA ILE 31 -10.515 8.343 -1.390 249 HB ILE 31 HB ILE 31 -8.884 9.547 -2.823 250 1HG1 ILE 31 2HG1 ILE 31 -7.180 10.747 -1.032 251 2HG1 ILE 31 1HG1 ILE 31 -7.179 9.056 -0.553 252 1HG2 ILE 31 1HG2 ILE 31 -10.191 10.597 -0.416 253 2HG2 ILE 31 2HG2 ILE 31 -10.285 11.163 -2.083 254 3HG2 ILE 31 3HG2 ILE 31 -8.927 11.642 -1.065 255 1HD1 ILE 31 1HD1 ILE 31 -6.738 8.398 -2.901 256 2HD1 ILE 31 2HD1 ILE 31 -5.459 9.422 -2.249 257 3HD1 ILE 31 3HD1 ILE 31 -6.665 10.104 -3.341 258 H ILE 32 H ILE 32 -7.368 7.155 -0.410 259 HA ILE 32 HA ILE 32 -6.787 5.539 -2.719 260 HB ILE 32 HB ILE 32 -6.105 5.349 0.239 261 1HG1 ILE 32 2HG1 ILE 32 -5.173 7.116 -1.536 262 2HG1 ILE 32 1HG1 ILE 32 -4.105 6.384 -0.341 263 1HG2 ILE 32 1HG2 ILE 32 -5.439 3.482 -2.032 264 2HG2 ILE 32 2HG2 ILE 32 -5.917 3.099 -0.379 265 3HG2 ILE 32 3HG2 ILE 32 -4.294 3.704 -0.709 266 1HD1 ILE 32 1HD1 ILE 32 -3.302 6.408 -2.790 267 2HD1 ILE 32 2HD1 ILE 32 -4.513 5.158 -3.065 268 3HD1 ILE 32 3HD1 ILE 32 -3.198 4.874 -1.927 269 H THR 33 H THR 33 -8.226 4.807 0.426 270 HA THR 33 HA THR 33 -9.069 2.197 -0.320 271 HB THR 33 HB THR 33 -8.863 3.753 1.978 272 HG1 THR 33 HG1 THR 33 -9.122 1.842 2.933 273 1HG2 THR 33 1HG2 THR 33 -11.748 2.969 1.528 274 2HG2 THR 33 2HG2 THR 33 -11.131 4.619 1.623 275 3HG2 THR 33 3HG2 THR 33 -11.072 3.570 3.041 276 H GLU 34 H GLU 34 -10.602 5.385 -0.310 277 HA GLU 34 HA GLU 34 -13.237 4.488 -1.124 278 1HB GLU 34 2HB GLU 34 -11.684 7.040 -0.937 279 2HB GLU 34 1HB GLU 34 -13.218 7.051 -1.796 280 1HG GLU 34 2HG GLU 34 -12.918 5.906 0.994 281 2HG GLU 34 1HG GLU 34 -13.363 7.587 0.699 282 H THR 35 H THR 35 -10.320 5.542 -2.899 283 HA THR 35 HA THR 35 -11.516 5.872 -5.473 284 HB THR 35 HB THR 35 -8.761 5.063 -4.515 285 HG1 THR 35 HG1 THR 35 -8.854 7.160 -4.294 286 1HG2 THR 35 1HG2 THR 35 -8.551 5.867 -7.192 287 2HG2 THR 35 2HG2 THR 35 -9.918 4.757 -7.171 288 3HG2 THR 35 3HG2 THR 35 -8.347 4.227 -6.576 289 H VAL 36 H VAL 36 -9.842 3.014 -4.089 290 HA VAL 36 HA VAL 36 -10.498 1.232 -6.214 291 HB VAL 36 HB VAL 36 -9.655 1.145 -3.407 292 1HG1 VAL 36 1HG1 VAL 36 -11.510 -0.170 -2.829 293 2HG1 VAL 36 2HG1 VAL 36 -10.324 -1.386 -3.300 294 3HG1 VAL 36 3HG1 VAL 36 -11.598 -0.922 -4.422 295 1HG2 VAL 36 1HG2 VAL 36 -8.335 0.664 -5.525 296 2HG2 VAL 36 2HG2 VAL 36 -9.216 -0.861 -5.626 297 3HG2 VAL 36 3HG2 VAL 36 -8.170 -0.535 -4.243 298 H ALA 37 H ALA 37 -12.328 2.449 -3.461 299 HA ALA 37 HA ALA 37 -14.697 0.821 -3.978 300 1HB ALA 37 1HB ALA 37 -14.217 3.304 -2.325 301 2HB ALA 37 2HB ALA 37 -14.054 1.646 -1.764 302 3HB ALA 37 3HB ALA 37 -15.638 2.269 -2.224 303 H LYS 38 H LYS 38 -13.279 3.497 -5.463 304 HA LYS 38 HA LYS 38 -15.889 4.597 -6.418 305 1HB LYS 38 2HB LYS 38 -13.473 5.749 -5.574 306 2HB LYS 38 1HB LYS 38 -13.428 5.888 -7.331 307 1HG LYS 38 2HG LYS 38 -15.179 7.356 -7.395 308 2HG LYS 38 1HG LYS 38 -16.013 6.578 -6.049 309 1HD LYS 38 2HD LYS 38 -13.524 8.285 -5.755 310 2HD LYS 38 1HD LYS 38 -15.167 8.869 -5.488 311 1HE LYS 38 2HE LYS 38 -15.176 6.616 -3.935 312 2HE LYS 38 1HE LYS 38 -13.490 7.145 -3.765 313 1HZ LYS 38 1HZ LYS 38 -15.095 8.237 -2.200 314 2HZ LYS 38 2HZ LYS 38 -15.802 8.991 -3.548 315 3HZ LYS 38 3HZ LYS 38 -14.183 9.308 -3.146 316 H GLY 39 H GLY 39 -13.061 2.806 -7.264 317 1HA GLY 39 2HA GLY 39 -13.162 1.244 -9.083 318 2HA GLY 39 1HA GLY 39 -14.235 2.354 -9.930 319 H ASP 40 H ASP 40 -11.125 3.072 -8.331 320 HA ASP 40 HA ASP 40 -10.052 3.773 -11.054 321 1HB ASP 40 2HB ASP 40 -10.647 5.443 -8.785 322 2HB ASP 40 1HB ASP 40 -8.908 5.473 -9.082 323 H LYS 41 H LYS 41 -7.738 3.567 -11.259 324 HA LYS 41 HA LYS 41 -6.524 1.692 -9.271 325 1HB LYS 41 2HB LYS 41 -6.967 1.251 -11.840 326 2HB LYS 41 1HB LYS 41 -5.500 2.206 -12.050 327 1HG LYS 41 2HG LYS 41 -4.418 0.655 -10.323 328 2HG LYS 41 1HG LYS 41 -5.825 -0.387 -10.533 329 1HD LYS 41 2HD LYS 41 -5.355 -0.386 -13.013 330 2HD LYS 41 1HD LYS 41 -3.844 0.455 -12.665 331 1HE LYS 41 2HE LYS 41 -2.982 -1.401 -11.421 332 2HE LYS 41 1HE LYS 41 -4.572 -2.186 -11.361 333 1HZ LYS 41 1HZ LYS 41 -3.114 -1.550 -13.870 334 2HZ LYS 41 2HZ LYS 41 -4.566 -2.424 -13.728 335 3HZ LYS 41 3HZ LYS 41 -3.114 -3.079 -13.135 336 H VAL 42 H VAL 42 -5.543 3.161 -7.845 337 HA VAL 42 HA VAL 42 -3.961 5.428 -8.858 338 HB VAL 42 HB VAL 42 -3.672 5.880 -6.469 339 1HG1 VAL 42 1HG1 VAL 42 -6.393 5.168 -6.075 340 2HG1 VAL 42 2HG1 VAL 42 -6.201 5.538 -7.789 341 3HG1 VAL 42 3HG1 VAL 42 -5.748 6.732 -6.572 342 1HG2 VAL 42 1HG2 VAL 42 -4.658 4.294 -4.805 343 2HG2 VAL 42 2HG2 VAL 42 -3.276 3.616 -5.663 344 3HG2 VAL 42 3HG2 VAL 42 -4.913 3.137 -6.108 345 H GLN 43 H GLN 43 -1.667 5.582 -8.734 346 HA GLN 43 HA GLN 43 -0.186 3.099 -7.991 347 1HB GLN 43 2HB GLN 43 -0.208 2.869 -10.288 348 2HB GLN 43 1HB GLN 43 -0.472 4.591 -10.554 349 1HG GLN 43 2HG GLN 43 1.781 5.105 -10.382 350 2HG GLN 43 1HG GLN 43 2.142 3.656 -9.443 351 1HE2 GLN 43 1HE2 GLN 43 1.441 4.813 -12.743 352 2HE2 GLN 43 2HE2 GLN 43 2.043 3.436 -13.533 353 H LEU 44 H LEU 44 1.012 3.894 -6.227 354 HA LEU 44 HA LEU 44 1.894 6.629 -5.975 355 1HB LEU 44 2HB LEU 44 3.001 4.102 -4.714 356 2HB LEU 44 1HB LEU 44 3.193 5.736 -4.102 357 HG LEU 44 HG LEU 44 0.642 4.121 -4.263 358 1HD1 LEU 44 1HD1 LEU 44 2.274 5.380 -2.046 359 2HD1 LEU 44 2HD1 LEU 44 1.888 3.681 -2.256 360 3HD1 LEU 44 3HD1 LEU 44 0.624 4.812 -1.805 361 1HD2 LEU 44 1HD2 LEU 44 -0.047 6.472 -3.041 362 2HD2 LEU 44 2HD2 LEU 44 -0.342 6.126 -4.745 363 3HD2 LEU 44 3HD2 LEU 44 1.082 7.047 -4.268 364 H THR 45 H THR 45 3.103 7.313 -7.751 365 HA THR 45 HA THR 45 4.831 7.345 -9.365 366 HB THR 45 HB THR 45 5.852 8.433 -7.521 367 HG1 THR 45 HG1 THR 45 7.285 7.641 -9.159 368 1HG2 THR 45 1HG2 THR 45 6.237 5.667 -6.374 369 2HG2 THR 45 2HG2 THR 45 5.283 6.983 -5.698 370 3HG2 THR 45 3HG2 THR 45 7.041 7.096 -5.732 371 H GLY 46 H GLY 46 3.687 4.563 -8.940 372 1HA GLY 46 2HA GLY 46 4.233 2.657 -10.281 373 2HA GLY 46 1HA GLY 46 5.910 3.182 -10.302 374 H PHE 47 H PHE 47 4.989 3.329 -7.063 375 HA PHE 47 HA PHE 47 6.098 0.587 -6.705 376 1HB PHE 47 2HB PHE 47 7.084 1.326 -4.703 377 2HB PHE 47 1HB PHE 47 7.315 2.627 -5.850 378 HD1 PHE 47 HD1 PHE 47 7.068 4.728 -5.004 379 HD2 PHE 47 HD2 PHE 47 4.629 1.598 -3.376 380 HE1 PHE 47 HE1 PHE 47 6.069 6.312 -3.433 381 HE2 PHE 47 HE2 PHE 47 3.620 3.216 -1.805 382 HZ PHE 47 HZ PHE 47 4.334 5.575 -1.837 383 H LEU 48 H LEU 48 3.315 2.545 -5.800 384 HA LEU 48 HA LEU 48 2.208 0.039 -4.598 385 1HB LEU 48 2HB LEU 48 2.343 2.815 -3.671 386 2HB LEU 48 1HB LEU 48 0.765 2.073 -3.470 387 HG LEU 48 HG LEU 48 3.347 1.453 -2.116 388 1HD1 LEU 48 1HD1 LEU 48 0.604 2.075 -1.472 389 2HD1 LEU 48 2HD1 LEU 48 2.035 2.126 -0.444 390 3HD1 LEU 48 3HD1 LEU 48 1.134 0.621 -0.626 391 1HD2 LEU 48 1HD2 LEU 48 2.281 -0.861 -1.551 392 2HD2 LEU 48 2HD2 LEU 48 3.183 -0.690 -3.055 393 3HD2 LEU 48 3HD2 LEU 48 1.418 -0.651 -3.073 394 H ASN 49 H ASN 49 1.205 -0.631 -6.516 395 HA ASN 49 HA ASN 49 -0.651 1.245 -7.879 396 1HB ASN 49 2HB ASN 49 1.130 -0.600 -8.755 397 2HB ASN 49 1HB ASN 49 -0.331 -1.587 -8.722 398 1HD2 ASN 49 1HD2 ASN 49 1.091 -0.625 -11.149 399 2HD2 ASN 49 2HD2 ASN 49 -0.024 0.329 -12.002 400 H ILE 50 H ILE 50 -2.116 1.161 -5.860 401 HA ILE 50 HA ILE 50 -3.522 -1.223 -5.092 402 HB ILE 50 HB ILE 50 -3.958 1.752 -4.958 403 1HG1 ILE 50 2HG1 ILE 50 -2.409 0.331 -3.433 404 2HG1 ILE 50 1HG1 ILE 50 -3.480 1.501 -2.672 405 1HG2 ILE 50 1HG2 ILE 50 -5.985 1.279 -3.519 406 2HG2 ILE 50 2HG2 ILE 50 -5.945 -0.375 -4.128 407 3HG2 ILE 50 3HG2 ILE 50 -6.213 0.967 -5.239 408 1HD1 ILE 50 1HD1 ILE 50 -4.650 -1.189 -3.079 409 2HD1 ILE 50 2HD1 ILE 50 -4.758 -0.111 -1.689 410 3HD1 ILE 50 3HD1 ILE 50 -3.328 -1.113 -1.917 411 H LYS 51 H LYS 51 -5.147 -2.344 -6.236 412 HA LYS 51 HA LYS 51 -6.693 -0.768 -8.256 413 1HB LYS 51 2HB LYS 51 -6.225 -2.471 -9.966 414 2HB LYS 51 1HB LYS 51 -4.713 -1.793 -9.365 415 1HG LYS 51 2HG LYS 51 -4.117 -3.977 -9.109 416 2HG LYS 51 1HG LYS 51 -5.062 -3.861 -7.625 417 1HD LYS 51 2HD LYS 51 -5.770 -5.831 -8.893 418 2HD LYS 51 1HD LYS 51 -7.071 -4.644 -8.878 419 1HE LYS 51 2HE LYS 51 -6.720 -5.630 -11.145 420 2HE LYS 51 1HE LYS 51 -6.415 -3.884 -11.137 421 1HZ LYS 51 1HZ LYS 51 -4.636 -5.384 -12.167 422 2HZ LYS 51 2HZ LYS 51 -4.254 -5.822 -10.570 423 3HZ LYS 51 3HZ LYS 51 -4.121 -4.201 -11.065 424 HA PRO 52 HA PRO 52 -9.684 -3.330 -6.205 425 1HB PRO 52 2HB PRO 52 -11.915 -2.362 -7.446 426 2HB PRO 52 1HB PRO 52 -11.072 -1.480 -6.158 427 1HG PRO 52 2HG PRO 52 -10.999 -1.067 -9.091 428 2HG PRO 52 1HG PRO 52 -10.927 0.118 -7.780 429 1HD PRO 52 2HD PRO 52 -8.746 -0.762 -9.223 430 2HD PRO 52 1HD PRO 52 -8.664 -0.041 -7.601 431 H VAL 53 H VAL 53 -10.640 -5.248 -6.691 432 HA VAL 53 HA VAL 53 -10.807 -6.074 -9.550 433 HB VAL 53 HB VAL 53 -10.278 -7.974 -7.308 434 1HG1 VAL 53 1HG1 VAL 53 -10.601 -8.352 -9.947 435 2HG1 VAL 53 2HG1 VAL 53 -9.523 -9.355 -8.976 436 3HG1 VAL 53 3HG1 VAL 53 -8.868 -8.022 -9.925 437 1HG2 VAL 53 1HG2 VAL 53 -8.692 -6.014 -7.048 438 2HG2 VAL 53 2HG2 VAL 53 -8.114 -6.343 -8.680 439 3HG2 VAL 53 3HG2 VAL 53 -7.888 -7.541 -7.406 440 H ALA 54 H ALA 54 -11.908 -8.662 -8.469 441 HA ALA 54 HA ALA 54 -14.329 -8.228 -7.029 442 1HB ALA 54 1HB ALA 54 -15.400 -8.593 -9.661 443 2HB ALA 54 2HB ALA 54 -14.306 -7.211 -9.701 444 3HB ALA 54 3HB ALA 54 -15.652 -7.237 -8.563 445 H ARG 55 H ARG 55 -14.618 -10.274 -6.262 446 HA ARG 55 HA ARG 55 -15.031 -12.522 -8.070 447 1HB ARG 55 2HB ARG 55 -13.013 -13.777 -7.208 448 2HB ARG 55 1HB ARG 55 -12.609 -12.382 -8.208 449 1HG ARG 55 2HG ARG 55 -11.563 -11.338 -6.499 450 2HG ARG 55 1HG ARG 55 -12.893 -11.665 -5.387 451 1HD ARG 55 2HD ARG 55 -10.976 -12.842 -4.516 452 2HD ARG 55 1HD ARG 55 -12.003 -14.077 -5.273 453 HE ARG 55 HE ARG 55 -10.542 -13.865 -7.309 454 1HH1 ARG 55 1HH1 ARG 55 -9.326 -11.393 -5.626 455 2HH1 ARG 55 2HH1 ARG 55 -7.714 -11.999 -5.440 456 1HH2 ARG 55 1HH2 ARG 55 -8.515 -15.205 -6.491 457 2HH2 ARG 55 2HH2 ARG 55 -7.255 -14.158 -5.930 458 H GLN 56 H GLN 56 -16.970 -12.617 -6.762 459 HA GLN 56 HA GLN 56 -17.063 -12.740 -3.927 460 1HB GLN 56 2HB GLN 56 -18.809 -14.159 -5.962 461 2HB GLN 56 1HB GLN 56 -19.265 -13.744 -4.311 462 1HG GLN 56 2HG GLN 56 -19.702 -11.585 -4.849 463 2HG GLN 56 1HG GLN 56 -18.270 -11.454 -5.868 464 1HE2 GLN 56 1HE2 GLN 56 -18.666 -13.284 -7.870 465 2HE2 GLN 56 2HE2 GLN 56 -20.107 -12.972 -8.710 466 H ALA 57 H ALA 57 -16.378 -14.275 -2.537 467 HA ALA 57 HA ALA 57 -14.919 -16.598 -3.254 468 1HB ALA 57 1HB ALA 57 -15.829 -17.136 -0.754 469 2HB ALA 57 2HB ALA 57 -16.233 -15.422 -0.852 470 3HB ALA 57 3HB ALA 57 -14.565 -15.948 -1.068 471 H ARG 58 H ARG 58 -15.875 -18.723 -1.999 472 HA ARG 58 HA ARG 58 -17.641 -20.052 -3.760 473 1HB ARG 58 2HB ARG 58 -16.424 -20.353 -1.095 474 2HB ARG 58 1HB ARG 58 -17.881 -21.309 -1.321 475 1HG ARG 58 2HG ARG 58 -15.831 -22.529 -1.995 476 2HG ARG 58 1HG ARG 58 -16.971 -22.314 -3.328 477 1HD ARG 58 2HD ARG 58 -15.675 -20.597 -4.327 478 2HD ARG 58 1HD ARG 58 -14.760 -20.305 -2.835 479 HE ARG 58 HE ARG 58 -13.997 -22.809 -3.227 480 1HH1 ARG 58 1HH2 ARG 58 -13.219 -20.099 -4.903 481 2HH1 ARG 58 2HH2 ARG 58 -12.749 -20.884 -6.374 482 1HH2 ARG 58 1HH1 ARG 58 -14.005 -23.977 -5.432 483 2HH2 ARG 58 2HH1 ARG 58 -13.194 -23.081 -6.673 484 H LYS 59 H LYS 59 -19.152 -21.127 -1.395 485 HA LYS 59 HA LYS 59 -20.894 -19.439 -0.127 486 1HB LYS 59 2HB LYS 59 -22.933 -19.789 -1.709 487 2HB LYS 59 1HB LYS 59 -21.785 -18.513 -2.090 488 1HG LYS 59 2HG LYS 59 -20.856 -20.945 -3.308 489 2HG LYS 59 1HG LYS 59 -22.552 -20.727 -3.721 490 1HD LYS 59 2HD LYS 59 -22.056 -19.082 -5.163 491 2HD LYS 59 1HD LYS 59 -21.184 -18.195 -3.917 492 1HE LYS 59 2HE LYS 59 -19.163 -18.866 -4.721 493 2HE LYS 59 1HE LYS 59 -19.709 -20.546 -4.900 494 1HZ LYS 59 1HZ LYS 59 -21.095 -19.701 -6.814 495 2HZ LYS 59 2HZ LYS 59 -19.418 -19.745 -7.081 496 3HZ LYS 59 3HZ LYS 59 -20.187 -18.270 -6.738 497 H GLY 60 H GLY 60 -19.804 -21.549 0.791 498 1HA GLY 60 2HA GLY 60 -20.618 -24.152 0.295 499 2HA GLY 60 1HA GLY 60 -20.324 -23.553 1.930 500 H PHE 61 H PHE 61 -22.662 -24.910 -0.046 501 HA PHE 61 HA PHE 61 -24.989 -23.462 0.925 502 1HB PHE 61 2HB PHE 61 -26.077 -24.883 -0.515 503 2HB PHE 61 1HB PHE 61 -24.434 -25.212 -1.075 504 HD1 PHE 61 HD1 PHE 61 -27.383 -26.639 0.280 505 HD2 PHE 61 HD2 PHE 61 -23.113 -27.067 0.281 506 HE1 PHE 61 HE1 PHE 61 -27.628 -28.959 1.077 507 HE2 PHE 61 HE2 PHE 61 -23.375 -29.372 1.069 508 HZ PHE 61 HZ PHE 61 -25.611 -30.343 1.475 509 H ASN 62 H ASN 62 -22.971 -25.343 2.565 510 HA ASN 62 HA ASN 62 -24.331 -25.777 4.956 511 1HB ASN 62 2HB ASN 62 -25.590 -27.157 2.868 512 2HB ASN 62 1HB ASN 62 -24.539 -28.387 3.541 513 1HD2 ASN 62 1HD2 ASN 62 -26.340 -29.574 4.508 514 2HD2 ASN 62 2HD2 ASN 62 -27.193 -28.962 5.841 515 HA PRO 63 HA PRO 63 -20.425 -27.887 5.454 516 1HB PRO 63 2HB PRO 63 -20.715 -30.484 6.272 517 2HB PRO 63 1HB PRO 63 -21.034 -29.101 7.335 518 1HG PRO 63 2HG PRO 63 -22.931 -30.883 5.937 519 2HG PRO 63 1HG PRO 63 -23.102 -30.031 7.477 520 1HD PRO 63 2HD PRO 63 -24.232 -29.262 5.061 521 2HD PRO 63 1HD PRO 63 -24.038 -28.221 6.486 522 H GLN 64 H GLN 64 -21.706 -28.072 2.776 523 HA GLN 64 HA GLN 64 -19.934 -30.042 1.569 524 1HB GLN 64 2HB GLN 64 -22.729 -30.453 2.208 525 2HB GLN 64 1HB GLN 64 -22.415 -30.689 0.491 526 1HG GLN 64 2HG GLN 64 -20.444 -31.908 2.342 527 2HG GLN 64 1HG GLN 64 -22.050 -32.637 2.333 528 1HE2 GLN 64 1HE2 GLN 64 -22.687 -33.833 0.458 529 2HE2 GLN 64 2HE2 GLN 64 -21.655 -34.095 -0.864 530 H THR 65 H THR 65 -22.453 -29.610 -0.526 531 HA THR 65 HA THR 65 -22.067 -26.920 -1.481 532 HB THR 65 HB THR 65 -20.897 -28.153 -3.640 533 HG1 THR 65 HG1 THR 65 -20.747 -30.066 -2.271 534 1HG2 THR 65 1HG2 THR 65 -19.327 -26.598 -3.212 535 2HG2 THR 65 2HG2 THR 65 -18.885 -27.369 -1.690 536 3HG2 THR 65 3HG2 THR 65 -20.224 -26.222 -1.741 537 H GLN 66 H GLN 66 -24.272 -26.886 -1.923 538 HA GLN 66 HA GLN 66 -25.222 -28.436 -4.261 539 1HB GLN 66 2HB GLN 66 -26.017 -28.799 -1.424 540 2HB GLN 66 1HB GLN 66 -27.340 -28.763 -2.589 541 1HG GLN 66 2HG GLN 66 -26.861 -30.865 -3.234 542 2HG GLN 66 1HG GLN 66 -25.218 -30.381 -3.655 543 1HE2 GLN 66 1HE2 GLN 66 -23.522 -30.760 -2.078 544 2HE2 GLN 66 2HE2 GLN 66 -23.779 -31.704 -0.691 545 H GLU 67 H GLU 67 -26.790 -26.557 -1.658 546 HA GLU 67 HA GLU 67 -27.890 -24.690 -3.741 547 1HB GLU 67 2HB GLU 67 -28.606 -25.399 -0.877 548 2HB GLU 67 1HB GLU 67 -29.353 -24.042 -1.723 549 1HG GLU 67 2HG GLU 67 -29.709 -25.931 -3.596 550 2HG GLU 67 1HG GLU 67 -29.682 -26.970 -2.171 551 H ALA 68 H ALA 68 -25.179 -24.663 -2.948 552 HA ALA 68 HA ALA 68 -23.878 -23.354 -1.155 553 1HB ALA 68 1HB ALA 68 -22.505 -22.493 -2.840 554 2HB ALA 68 2HB ALA 68 -23.878 -22.148 -3.890 555 3HB ALA 68 3HB ALA 68 -23.377 -23.814 -3.612 556 H LEU 69 H LEU 69 -23.758 -21.477 0.032 557 HA LEU 69 HA LEU 69 -24.858 -18.947 -0.858 558 1HB LEU 69 2HB LEU 69 -26.778 -18.957 0.743 559 2HB LEU 69 1HB LEU 69 -26.927 -20.199 -0.501 560 HG LEU 69 HG LEU 69 -25.447 -21.405 1.575 561 1HD1 LEU 69 1HD1 LEU 69 -26.008 -20.016 3.328 562 2HD1 LEU 69 2HD1 LEU 69 -27.410 -21.087 3.353 563 3HD1 LEU 69 3HD1 LEU 69 -27.520 -19.505 2.579 564 1HD2 LEU 69 1HD2 LEU 69 -26.881 -22.917 0.672 565 2HD2 LEU 69 2HD2 LEU 69 -28.067 -21.680 0.257 566 3HD2 LEU 69 3HD2 LEU 69 -28.019 -22.342 1.891 567 H GLU 70 H GLU 70 -22.266 -19.616 0.518 568 HA GLU 70 HA GLU 70 -22.492 -17.647 2.624 569 1HB GLU 70 2HB GLU 70 -23.391 -20.101 3.343 570 2HB GLU 70 1HB GLU 70 -21.694 -20.241 3.805 571 1HG GLU 70 2HG GLU 70 -23.401 -17.874 4.604 572 2HG GLU 70 1HG GLU 70 -23.262 -19.324 5.601 573 H ILE 71 H ILE 71 -20.595 -16.575 2.255 574 HA ILE 71 HA ILE 71 -18.010 -17.849 2.727 575 HB ILE 71 HB ILE 71 -17.411 -17.117 0.306 576 1HG1 ILE 71 2HG1 ILE 71 -19.994 -17.869 -0.686 577 2HG1 ILE 71 1HG1 ILE 71 -20.167 -16.486 0.379 578 1HG2 ILE 71 1HG2 ILE 71 -17.529 -19.304 -0.306 579 2HG2 ILE 71 2HG2 ILE 71 -19.136 -19.517 0.361 580 3HG2 ILE 71 3HG2 ILE 71 -17.743 -19.464 1.430 581 1HD1 ILE 71 1HD1 ILE 71 -19.388 -16.342 -2.267 582 2HD1 ILE 71 2HD1 ILE 71 -17.864 -16.260 -1.400 583 3HD1 ILE 71 3HD1 ILE 71 -19.124 -15.092 -1.056 584 H ALA 72 H ALA 72 -16.480 -16.010 1.244 585 HA ALA 72 HA ALA 72 -17.114 -13.457 2.630 586 1HB ALA 72 1HB ALA 72 -14.496 -14.628 1.682 587 2HB ALA 72 2HB ALA 72 -15.127 -14.781 3.322 588 3HB ALA 72 3HB ALA 72 -14.691 -13.193 2.689 589 HA PRO 73 HA PRO 73 -17.298 -12.610 -1.954 590 1HB PRO 73 2HB PRO 73 -19.586 -11.107 -1.841 591 2HB PRO 73 1HB PRO 73 -19.598 -12.871 -2.044 592 1HG PRO 73 2HG PRO 73 -20.038 -11.245 0.417 593 2HG PRO 73 1HG PRO 73 -20.882 -12.700 -0.138 594 1HD PRO 73 2HD PRO 73 -18.977 -12.756 1.788 595 2HD PRO 73 1HD PRO 73 -19.262 -14.114 0.677 596 H SER 74 H SER 74 -15.903 -10.926 -2.429 597 HA SER 74 HA SER 74 -16.441 -8.197 -1.520 598 1HB SER 74 2HB SER 74 -14.169 -8.135 -0.320 599 2HB SER 74 1HB SER 74 -15.464 -8.995 0.506 600 HG SER 74 HG SER 74 -14.395 -10.789 0.263 601 H VAL 75 H VAL 75 -15.238 -6.689 -2.803 602 HA VAL 75 HA VAL 75 -14.285 -7.503 -5.338 603 HB VAL 75 HB VAL 75 -14.660 -5.134 -3.834 604 1HG1 VAL 75 1HG1 VAL 75 -11.899 -5.216 -5.079 605 2HG1 VAL 75 2HG1 VAL 75 -12.242 -5.104 -3.352 606 3HG1 VAL 75 3HG1 VAL 75 -12.689 -3.781 -4.428 607 1HG2 VAL 75 1HG2 VAL 75 -14.675 -6.006 -6.532 608 2HG2 VAL 75 2HG2 VAL 75 -13.731 -4.519 -6.464 609 3HG2 VAL 75 3HG2 VAL 75 -15.386 -4.542 -5.858 610 H GLY 76 H GLY 76 -11.771 -7.043 -6.007 611 1HA GLY 76 2HA GLY 76 -10.185 -8.543 -3.948 612 2HA GLY 76 1HA GLY 76 -9.888 -8.636 -5.680 613 H VAL 77 H VAL 77 -10.482 -5.704 -3.787 614 HA VAL 77 HA VAL 77 -8.801 -3.876 -4.805 615 HB VAL 77 HB VAL 77 -10.053 -3.475 -2.770 616 1HG1 VAL 77 1HG1 VAL 77 -8.474 -5.796 -1.800 617 2HG1 VAL 77 2HG1 VAL 77 -10.129 -5.322 -1.424 618 3HG1 VAL 77 3HG1 VAL 77 -8.780 -4.524 -0.617 619 1HG2 VAL 77 1HG2 VAL 77 -8.099 -2.657 -1.220 620 2HG2 VAL 77 2HG2 VAL 77 -8.317 -1.909 -2.799 621 3HG2 VAL 77 3HG2 VAL 77 -7.072 -3.131 -2.567 622 H SER 78 H SER 78 -7.150 -4.928 -5.943 623 HA SER 78 HA SER 78 -5.028 -6.303 -4.407 624 1HB SER 78 2HB SER 78 -6.054 -6.337 -7.016 625 2HB SER 78 1HB SER 78 -4.436 -5.661 -7.181 626 HG SER 78 HG SER 78 -4.434 -7.950 -7.251 627 H VAL 79 H VAL 79 -2.736 -5.628 -5.069 628 HA VAL 79 HA VAL 79 -1.954 -2.988 -5.758 629 HB VAL 79 HB VAL 79 -3.232 -2.394 -3.729 630 1HG1 VAL 79 1HG1 VAL 79 -3.376 -4.134 -2.262 631 2HG1 VAL 79 2HG1 VAL 79 -1.953 -3.374 -1.550 632 3HG1 VAL 79 3HG1 VAL 79 -1.765 -4.733 -2.657 633 1HG2 VAL 79 1HG2 VAL 79 -0.311 -2.312 -2.965 634 2HG2 VAL 79 2HG2 VAL 79 -1.561 -1.126 -2.601 635 3HG2 VAL 79 3HG2 VAL 79 -0.967 -1.299 -4.251 636 H LYS 80 H LYS 80 0.431 -2.633 -4.753 637 HA LYS 80 HA LYS 80 1.813 -4.859 -3.622 638 1HB LYS 80 2HB LYS 80 3.032 -5.562 -5.691 639 2HB LYS 80 1HB LYS 80 1.302 -5.878 -5.797 640 1HG LYS 80 2HG LYS 80 1.278 -4.688 -7.708 641 2HG LYS 80 1HG LYS 80 1.620 -3.251 -6.747 642 1HD LYS 80 2HD LYS 80 3.626 -3.086 -7.752 643 2HD LYS 80 1HD LYS 80 4.084 -4.637 -7.050 644 1HE LYS 80 2HE LYS 80 2.340 -4.659 -9.491 645 2HE LYS 80 1HE LYS 80 4.072 -4.325 -9.688 646 1HZ LYS 80 1HZ LYS 80 2.899 -6.627 -8.218 647 2HZ LYS 80 2HZ LYS 80 4.558 -6.288 -8.350 648 3HZ LYS 80 3HZ LYS 80 3.661 -6.706 -9.731 649 HA PRO 81 HA PRO 81 4.975 -1.729 -3.668 650 1HB PRO 81 2HB PRO 81 7.092 -3.293 -2.950 651 2HB PRO 81 1HB PRO 81 5.756 -2.925 -1.842 652 1HG PRO 81 2HG PRO 81 6.432 -5.442 -3.143 653 2HG PRO 81 1HG PRO 81 5.339 -5.136 -1.786 654 1HD PRO 81 2HD PRO 81 4.684 -5.536 -4.586 655 2HD PRO 81 1HD PRO 81 3.596 -5.436 -3.185 656 H GLY 82 H GLY 82 6.127 -0.802 -5.347 657 1HA GLY 82 2HA GLY 82 7.064 -2.504 -7.573 658 2HA GLY 82 1HA GLY 82 7.058 -0.738 -7.558 659 H GLU 83 H GLU 83 9.379 -1.833 -8.422 660 HA GLU 83 HA GLU 83 11.294 -2.556 -6.431 661 1HB GLU 83 2HB GLU 83 12.916 -1.921 -8.203 662 2HB GLU 83 1HB GLU 83 11.593 -2.902 -8.831 663 1HG GLU 83 2HG GLU 83 10.562 -0.382 -9.123 664 2HG GLU 83 1HG GLU 83 12.279 -0.082 -9.393 665 H SER 84 H SER 84 9.870 0.520 -7.178 666 HA SER 84 HA SER 84 11.900 2.354 -6.486 667 1HB SER 84 2HB SER 84 9.103 2.716 -5.476 668 2HB SER 84 1HB SER 84 10.133 3.863 -6.322 669 HG SER 84 HG SER 84 8.446 1.895 -7.304 670 H LEU 85 H LEU 85 9.702 0.504 -4.377 671 HA LEU 85 HA LEU 85 10.775 1.639 -1.903 672 1HB LEU 85 2HB LEU 85 9.251 -0.952 -2.274 673 2HB LEU 85 1HB LEU 85 9.276 0.085 -0.854 674 HG LEU 85 HG LEU 85 8.347 1.430 -3.312 675 1HD1 LEU 85 1HD1 LEU 85 6.147 0.339 -3.301 676 2HD1 LEU 85 2HD1 LEU 85 6.677 -0.754 -2.024 677 3HD1 LEU 85 3HD1 LEU 85 7.405 -0.853 -3.629 678 1HD2 LEU 85 1HD2 LEU 85 7.860 1.395 -0.400 679 2HD2 LEU 85 2HD2 LEU 85 6.417 1.674 -1.373 680 3HD2 LEU 85 3HD2 LEU 85 7.807 2.745 -1.533 681 H LYS 86 H LYS 86 11.488 -1.074 -4.001 682 HA LYS 86 HA LYS 86 13.141 -2.463 -2.046 683 1HB LYS 86 2HB LYS 86 11.872 -2.996 -4.499 684 2HB LYS 86 1HB LYS 86 13.597 -3.159 -4.821 685 1HG LYS 86 2HG LYS 86 13.832 -4.731 -2.962 686 2HG LYS 86 1HG LYS 86 12.131 -4.522 -2.542 687 1HD LYS 86 2HD LYS 86 11.886 -6.385 -3.853 688 2HD LYS 86 1HD LYS 86 11.868 -5.188 -5.148 689 1HE LYS 86 2HE LYS 86 14.586 -5.998 -4.338 690 2HE LYS 86 1HE LYS 86 13.617 -7.309 -5.041 691 1HZ LYS 86 1HZ LYS 86 13.832 -4.588 -6.214 692 2HZ LYS 86 2HZ LYS 86 13.076 -5.945 -6.904 693 3HZ LYS 86 3HZ LYS 86 14.764 -5.909 -6.725 694 H LYS 87 H LYS 87 13.717 -0.412 -4.862 695 HA LYS 87 HA LYS 87 16.571 -0.625 -4.818 696 1HB LYS 87 2HB LYS 87 15.330 0.237 -6.744 697 2HB LYS 87 1HB LYS 87 14.656 1.538 -5.765 698 1HG LYS 87 2HG LYS 87 17.470 1.693 -5.460 699 2HG LYS 87 1HG LYS 87 17.169 1.464 -7.183 700 1HD LYS 87 2HD LYS 87 15.513 3.329 -7.106 701 2HD LYS 87 1HD LYS 87 15.933 3.594 -5.413 702 1HE LYS 87 2HE LYS 87 17.951 4.566 -5.931 703 2HE LYS 87 1HE LYS 87 18.213 3.509 -7.333 704 1HZ LYS 87 1HZ LYS 87 16.416 4.684 -8.481 705 2HZ LYS 87 2HZ LYS 87 17.683 5.739 -8.071 706 3HZ LYS 87 3HZ LYS 87 16.249 5.735 -7.161 707 H ALA 88 H ALA 88 14.218 1.516 -3.285 708 HA ALA 88 HA ALA 88 16.150 3.172 -1.911 709 1HB ALA 88 1HB ALA 88 13.293 2.367 -1.239 710 2HB ALA 88 2HB ALA 88 13.748 3.728 -2.263 711 3HB ALA 88 3HB ALA 88 14.155 3.741 -0.547 712 H ALA 89 H ALA 89 14.464 0.134 -1.337 713 HA ALA 89 HA ALA 89 15.205 -0.347 1.361 714 1HB ALA 89 1HB ALA 89 15.198 -2.668 -0.449 715 2HB ALA 89 2HB ALA 89 13.805 -1.607 -0.633 716 3HB ALA 89 3HB ALA 89 14.160 -2.322 0.934 717 H GLU 90 H GLU 90 16.949 -0.986 -1.669 718 HA GLU 90 HA GLU 90 19.193 -2.358 -0.571 719 1HB GLU 90 2HB GLU 90 19.927 -2.128 -2.732 720 2HB GLU 90 1HB GLU 90 18.359 -1.386 -3.036 721 1HG GLU 90 2HG GLU 90 19.386 0.840 -2.425 722 2HG GLU 90 1HG GLU 90 20.954 0.034 -2.370 723 H GLY 91 H GLY 91 18.195 1.002 -0.632 724 1HA GLY 91 2HA GLY 91 20.651 2.151 0.362 725 2HA GLY 91 1HA GLY 91 19.066 2.918 0.413 726 H LEU 92 H LEU 92 17.786 0.739 1.995 727 HA LEU 92 HA LEU 92 18.385 1.682 4.638 728 1HB LEU 92 2HB LEU 92 16.592 0.307 5.204 729 2HB LEU 92 1HB LEU 92 16.326 0.485 3.476 730 HG LEU 92 HG LEU 92 17.957 -1.666 3.438 731 1HD1 LEU 92 1HD1 LEU 92 16.510 -2.903 5.501 732 2HD1 LEU 92 2HD1 LEU 92 17.065 -1.379 6.194 733 3HD1 LEU 92 3HD1 LEU 92 18.231 -2.512 5.513 734 1HD2 LEU 92 1HD2 LEU 92 16.094 -2.395 2.403 735 2HD2 LEU 92 2HD2 LEU 92 15.145 -1.130 3.182 736 3HD2 LEU 92 3HD2 LEU 92 15.350 -2.691 3.974 737 H LYS 93 H LYS 93 20.398 -0.161 2.787 738 HA LYS 93 HA LYS 93 22.227 -1.557 3.342 739 1HB LYS 93 2HB LYS 93 21.855 0.129 5.493 740 2HB LYS 93 1HB LYS 93 21.666 -1.452 6.251 741 1HG LYS 93 2HG LYS 93 24.013 -0.840 6.341 742 2HG LYS 93 1HG LYS 93 23.826 -2.156 5.181 743 1HD LYS 93 2HD LYS 93 24.079 -0.725 3.328 744 2HD LYS 93 1HD LYS 93 23.721 0.717 4.278 745 1HE LYS 93 2HE LYS 93 26.074 -0.841 5.201 746 2HE LYS 93 1HE LYS 93 26.257 -0.027 3.635 747 1HZ LYS 93 1HZ LYS 93 25.316 1.217 6.165 748 2HZ LYS 93 2HZ LYS 93 25.356 1.998 4.658 749 3HZ LYS 93 3HZ LYS 93 26.802 1.505 5.400 750 H TYR 94 H TYR 94 19.628 -2.500 2.771 751 HA TYR 94 HA TYR 94 18.341 -4.305 4.397 752 1HB TYR 94 2HB TYR 94 17.326 -4.496 2.382 753 2HB TYR 94 1HB TYR 94 18.733 -3.806 1.578 754 HD1 TYR 94 HD1 TYR 94 20.179 -5.140 0.304 755 HD2 TYR 94 HD2 TYR 94 17.360 -6.971 2.970 756 HE1 TYR 94 HE1 TYR 94 20.821 -7.380 -0.558 757 HE2 TYR 94 HE2 TYR 94 17.991 -9.215 2.108 758 HH TYR 94 HH TYR 94 20.609 -9.961 0.706 759 H GLU 95 H GLU 95 21.529 -4.724 2.916 760 HA GLU 95 HA GLU 95 21.877 -7.516 3.339 761 1HB GLU 95 2HB GLU 95 24.286 -6.933 3.293 762 2HB GLU 95 1HB GLU 95 23.394 -6.074 2.039 763 1HG GLU 95 2HG GLU 95 23.182 -4.158 3.755 764 2HG GLU 95 1HG GLU 95 24.443 -4.998 4.658 765 H ASP 96 H ASP 96 22.402 -4.743 5.502 766 HA ASP 96 HA ASP 96 23.401 -6.233 7.757 767 1HB ASP 96 2HB ASP 96 22.216 -3.561 7.162 768 2HB ASP 96 1HB ASP 96 22.133 -4.086 8.843 769 H PHE 97 H PHE 97 20.216 -5.384 6.527 770 HA PHE 97 HA PHE 97 18.669 -6.445 8.745 771 1HB PHE 97 2HB PHE 97 18.285 -4.929 6.438 772 2HB PHE 97 1HB PHE 97 17.460 -6.441 6.063 773 HD1 PHE 97 HD1 PHE 97 15.178 -6.231 6.421 774 HD2 PHE 97 HD2 PHE 97 17.906 -4.462 9.227 775 HE1 PHE 97 HE1 PHE 97 13.266 -5.542 7.840 776 HE2 PHE 97 HE2 PHE 97 15.993 -3.772 10.649 777 HZ PHE 97 HZ PHE 97 13.674 -4.312 9.956 778 H ALA 98 H ALA 98 20.204 -7.750 5.890 779 HA ALA 98 HA ALA 98 18.734 -10.260 5.789 780 1HB ALA 98 1HB ALA 98 19.695 -9.838 3.751 781 2HB ALA 98 2HB ALA 98 21.096 -10.644 4.455 782 3HB ALA 98 3HB ALA 98 20.996 -8.884 4.463 783 H LYS 99 H LYS 99 22.218 -9.773 6.344 784 HA LYS 99 HA LYS 99 22.703 -12.245 7.641 785 1HB LYS 99 2HB LYS 99 24.010 -9.626 7.255 786 2HB LYS 99 1HB LYS 99 24.567 -10.506 8.678 787 1HG LYS 99 2HG LYS 99 24.996 -12.497 7.275 788 2HG LYS 99 1HG LYS 99 24.464 -11.601 5.852 789 1HD LYS 99 2HD LYS 99 26.552 -10.286 7.501 790 2HD LYS 99 1HD LYS 99 27.057 -11.735 6.630 791 1HE LYS 99 2HE LYS 99 26.189 -10.764 4.516 792 2HE LYS 99 1HE LYS 99 25.731 -9.292 5.397 793 1HZ LYS 99 1HZ LYS 99 27.958 -9.111 4.412 794 2HZ LYS 99 2HZ LYS 99 28.467 -10.453 5.321 795 3HZ LYS 99 3HZ LYS 99 28.008 -9.018 6.104 796 1H MET 1 1H MET 1 -4.329 5.919 -10.728 797 2H MET 1 2H MET 1 -4.145 6.919 -12.088 798 3H MET 1 3H MET 1 -5.599 6.934 -11.209 799 HA MET 1 HA MET 1 -4.104 8.878 -10.769 800 1HB MET 1 2HB MET 1 -5.422 6.962 -8.957 801 2HB MET 1 1HB MET 1 -4.302 8.054 -8.145 802 1HG MET 1 2HG MET 1 -5.517 9.949 -8.723 803 2HG MET 1 1HG MET 1 -6.240 9.182 -10.137 804 1HE MET 1 1HE MET 1 -7.681 9.775 -6.054 805 2HE MET 1 2HE MET 1 -6.101 10.087 -6.766 806 3HE MET 1 3HE MET 1 -6.400 8.559 -5.943 807 H ASN 2 H ASN 2 -2.232 9.488 -9.251 808 HA ASN 2 HA ASN 2 -0.381 7.477 -8.371 809 1HB ASN 2 2HB ASN 2 1.330 7.804 -10.128 810 2HB ASN 2 1HB ASN 2 -0.179 7.219 -10.824 811 1HD2 ASN 2 1HD2 ASN 2 -1.086 8.477 -12.477 812 2HD2 ASN 2 2HD2 ASN 2 -0.600 10.058 -12.858 813 H LYS 3 H LYS 3 2.028 9.006 -8.863 814 HA LYS 3 HA LYS 3 2.103 10.697 -6.600 815 1HB LYS 3 2HB LYS 3 3.814 9.823 -8.716 816 2HB LYS 3 1HB LYS 3 4.002 11.570 -8.580 817 1HG LYS 3 2HG LYS 3 4.107 11.029 -5.985 818 2HG LYS 3 1HG LYS 3 4.597 9.437 -6.556 819 1HD LYS 3 2HD LYS 3 6.210 10.925 -8.101 820 2HD LYS 3 1HD LYS 3 6.029 12.048 -6.756 821 1HE LYS 3 2HE LYS 3 7.500 10.830 -5.504 822 2HE LYS 3 1HE LYS 3 6.523 9.365 -5.731 823 1HZ LYS 3 1HZ LYS 3 7.481 9.394 -8.093 824 2HZ LYS 3 2HZ LYS 3 8.497 8.879 -6.832 825 3HZ LYS 3 3HZ LYS 3 8.655 10.446 -7.469 826 H THR 4 H THR 4 0.334 11.363 -9.387 827 HA THR 4 HA THR 4 0.560 14.329 -8.929 828 HB THR 4 HB THR 4 -0.038 12.801 -11.486 829 HG1 THR 4 HG1 THR 4 2.038 12.662 -11.615 830 1HG2 THR 4 1HG2 THR 4 0.810 15.658 -11.432 831 2HG2 THR 4 2HG2 THR 4 -0.844 15.295 -10.942 832 3HG2 THR 4 3HG2 THR 4 -0.277 14.826 -12.546 833 H GLU 5 H GLU 5 -1.589 11.713 -10.076 834 HA GLU 5 HA GLU 5 -3.986 13.295 -9.984 835 1HB GLU 5 2HB GLU 5 -3.667 10.308 -9.639 836 2HB GLU 5 1HB GLU 5 -5.088 11.152 -10.243 837 1HG GLU 5 2HG GLU 5 -3.017 12.051 -11.888 838 2HG GLU 5 1HG GLU 5 -2.686 10.332 -11.678 839 H LEU 6 H LEU 6 -2.638 10.888 -7.687 840 HA LEU 6 HA LEU 6 -4.565 11.289 -5.612 841 1HB LEU 6 2HB LEU 6 -1.644 10.483 -5.687 842 2HB LEU 6 1HB LEU 6 -2.558 10.502 -4.179 843 HG LEU 6 HG LEU 6 -3.687 9.077 -6.569 844 1HD1 LEU 6 1HD1 LEU 6 -2.524 7.026 -5.296 845 2HD1 LEU 6 2HD1 LEU 6 -1.337 8.272 -4.913 846 3HD1 LEU 6 3HD1 LEU 6 -1.707 7.894 -6.596 847 1HD2 LEU 6 1HD2 LEU 6 -5.117 9.334 -4.623 848 2HD2 LEU 6 2HD2 LEU 6 -3.842 8.737 -3.558 849 3HD2 LEU 6 3HD2 LEU 6 -4.609 7.647 -4.714 850 H ILE 7 H ILE 7 -1.693 13.083 -6.573 851 HA ILE 7 HA ILE 7 -1.340 14.806 -4.351 852 HB ILE 7 HB ILE 7 -0.914 14.864 -7.309 853 1HG1 ILE 7 2HG1 ILE 7 0.773 15.102 -4.828 854 2HG1 ILE 7 1HG1 ILE 7 0.801 13.834 -6.048 855 1HG2 ILE 7 1HG2 ILE 7 -1.206 17.266 -5.613 856 2HG2 ILE 7 2HG2 ILE 7 -1.390 17.089 -7.357 857 3HG2 ILE 7 3HG2 ILE 7 0.216 17.234 -6.650 858 1HD1 ILE 7 1HD1 ILE 7 1.709 16.701 -6.400 859 2HD1 ILE 7 2HD1 ILE 7 1.579 15.538 -7.719 860 3HD1 ILE 7 3HD1 ILE 7 2.726 15.260 -6.408 861 H LYS 8 H LYS 8 -3.298 15.301 -7.279 862 HA LYS 8 HA LYS 8 -4.697 17.614 -6.419 863 1HB LYS 8 2HB LYS 8 -5.565 17.339 -8.502 864 2HB LYS 8 1HB LYS 8 -4.627 15.853 -8.619 865 1HG LYS 8 2HG LYS 8 -6.513 14.599 -7.604 866 2HG LYS 8 1HG LYS 8 -7.454 16.089 -7.541 867 1HD LYS 8 2HD LYS 8 -8.145 14.979 -9.537 868 2HD LYS 8 1HD LYS 8 -7.067 16.273 -10.062 869 1HE LYS 8 2HE LYS 8 -5.247 14.751 -10.404 870 2HE LYS 8 1HE LYS 8 -6.097 13.442 -9.555 871 1HZ LYS 8 1HZ LYS 8 -6.304 13.294 -12.002 872 2HZ LYS 8 2HZ LYS 8 -7.105 14.792 -12.005 873 3HZ LYS 8 3HZ LYS 8 -7.801 13.454 -11.223 874 H ALA 9 H ALA 9 -5.181 14.164 -5.736 875 HA ALA 9 HA ALA 9 -7.796 14.207 -4.638 876 1HB ALA 9 1HB ALA 9 -5.892 12.371 -4.994 877 2HB ALA 9 2HB ALA 9 -7.180 12.132 -3.813 878 3HB ALA 9 3HB ALA 9 -5.595 12.701 -3.288 879 H ILE 10 H ILE 10 -4.659 15.135 -3.211 880 HA ILE 10 HA ILE 10 -5.981 15.910 -0.678 881 HB ILE 10 HB ILE 10 -3.219 15.510 -1.794 882 1HG1 ILE 10 2HG1 ILE 10 -2.908 14.370 0.394 883 2HG1 ILE 10 1HG1 ILE 10 -4.548 14.836 0.844 884 1HG2 ILE 10 1HG2 ILE 10 -3.933 17.540 0.286 885 2HG2 ILE 10 2HG2 ILE 10 -2.678 17.597 -0.950 886 3HG2 ILE 10 3HG2 ILE 10 -2.451 16.608 0.492 887 1HD1 ILE 10 1HD1 ILE 10 -4.489 12.528 -0.041 888 2HD1 ILE 10 2HD1 ILE 10 -3.807 13.131 -1.551 889 3HD1 ILE 10 3HD1 ILE 10 -5.444 13.586 -1.080 890 H ALA 11 H ALA 11 -4.485 17.214 -3.579 891 HA ALA 11 HA ALA 11 -4.497 19.979 -2.726 892 1HB ALA 11 1HB ALA 11 -3.495 20.183 -4.778 893 2HB ALA 11 2HB ALA 11 -4.841 19.396 -5.599 894 3HB ALA 11 3HB ALA 11 -3.577 18.424 -4.849 895 H GLN 12 H GLN 12 -7.003 17.781 -3.541 896 HA GLN 12 HA GLN 12 -8.882 20.046 -4.048 897 1HB GLN 12 2HB GLN 12 -10.199 18.492 -5.338 898 2HB GLN 12 1HB GLN 12 -8.527 18.257 -5.839 899 1HG GLN 12 2HG GLN 12 -9.137 16.057 -5.500 900 2HG GLN 12 1HG GLN 12 -8.570 16.451 -3.881 901 1HE2 GLN 12 1HE2 GLN 12 -10.436 14.399 -4.090 902 2HE2 GLN 12 2HE2 GLN 12 -11.947 14.917 -3.517 903 H ASP 13 H ASP 13 -8.319 17.062 -2.174 904 HA ASP 13 HA ASP 13 -10.823 17.273 -0.664 905 1HB ASP 13 2HB ASP 13 -8.164 15.848 -0.333 906 2HB ASP 13 1HB ASP 13 -9.422 15.743 0.896 907 H THR 14 H THR 14 -7.712 18.666 -0.726 908 HA THR 14 HA THR 14 -8.120 20.098 1.859 909 HB THR 14 HB THR 14 -5.436 20.029 0.732 910 HG1 THR 14 HG1 THR 14 -5.508 17.619 1.456 911 1HG2 THR 14 1HG2 THR 14 -4.898 19.604 2.929 912 2HG2 THR 14 2HG2 THR 14 -6.336 18.627 3.204 913 3HG2 THR 14 3HG2 THR 14 -6.463 20.385 3.129 914 H GLY 15 H GLY 15 -5.952 20.714 -0.910 915 1HA GLY 15 2HA GLY 15 -5.767 22.566 -2.340 916 2HA GLY 15 1HA GLY 15 -7.492 22.823 -2.087 917 H LEU 16 H LEU 16 -6.611 22.858 0.915 918 HA LEU 16 HA LEU 16 -6.948 25.436 1.675 919 1HB LEU 16 2HB LEU 16 -4.612 24.616 3.112 920 2HB LEU 16 1HB LEU 16 -6.279 24.652 3.668 921 HG LEU 16 HG LEU 16 -6.619 22.448 2.570 922 1HD1 LEU 16 1HD1 LEU 16 -4.610 21.167 1.913 923 2HD1 LEU 16 2HD1 LEU 16 -3.594 22.546 2.301 924 3HD1 LEU 16 3HD1 LEU 16 -4.720 22.629 0.955 925 1HD2 LEU 16 1HD2 LEU 16 -5.141 21.192 4.273 926 2HD2 LEU 16 2HD2 LEU 16 -6.236 22.402 4.934 927 3HD2 LEU 16 3HD2 LEU 16 -4.526 22.777 4.734 928 H THR 17 H THR 17 -3.712 24.210 1.013 929 HA THR 17 HA THR 17 -2.916 26.872 -0.053 930 HB THR 17 HB THR 17 -2.337 25.859 2.456 931 HG1 THR 17 HG1 THR 17 -1.983 27.973 1.917 932 1HG2 THR 17 1HG2 THR 17 0.097 25.313 2.346 933 2HG2 THR 17 2HG2 THR 17 -0.045 25.204 0.598 934 3HG2 THR 17 3HG2 THR 17 -0.945 24.092 1.627 935 H GLN 18 H GLN 18 -3.192 23.569 -0.588 936 HA GLN 18 HA GLN 18 -2.150 22.086 -2.105 937 1HB GLN 18 2HB GLN 18 -1.061 24.617 -3.371 938 2HB GLN 18 1HB GLN 18 -1.506 23.113 -4.177 939 1HG GLN 18 2HG GLN 18 -3.885 23.632 -3.159 940 2HG GLN 18 1HG GLN 18 -3.275 25.285 -3.115 941 1HE2 GLN 18 1HE2 GLN 18 -1.649 25.203 -5.493 942 2HE2 GLN 18 2HE2 GLN 18 -2.681 25.038 -6.831 943 H VAL 19 H VAL 19 -0.916 23.033 0.315 944 HA VAL 19 HA VAL 19 1.439 23.778 0.922 945 HB VAL 19 HB VAL 19 0.565 22.127 2.346 946 1HG1 VAL 19 1HG1 VAL 19 0.573 19.624 1.350 947 2HG1 VAL 19 2HG1 VAL 19 0.287 20.524 -0.139 948 3HG1 VAL 19 3HG1 VAL 19 -0.817 20.698 1.223 949 1HG2 VAL 19 1HG2 VAL 19 2.481 20.101 1.682 950 2HG2 VAL 19 2HG2 VAL 19 2.544 21.285 2.987 951 3HG2 VAL 19 3HG2 VAL 19 3.214 21.680 1.407 952 H SER 20 H SER 20 2.152 20.642 -0.334 953 HA SER 20 HA SER 20 3.844 21.776 -2.462 954 1HB SER 20 2HB SER 20 4.582 20.547 0.016 955 2HB SER 20 1HB SER 20 5.058 19.482 -1.295 956 HG SER 20 HG SER 20 5.840 21.651 -2.222 957 H VAL 21 H VAL 21 1.152 20.363 -2.197 958 HA VAL 21 HA VAL 21 0.490 17.951 -2.668 959 HB VAL 21 HB VAL 21 -0.141 18.661 -5.162 960 1HG1 VAL 21 1HG1 VAL 21 -1.970 18.568 -3.792 961 2HG1 VAL 21 2HG1 VAL 21 -1.822 20.323 -3.862 962 3HG1 VAL 21 3HG1 VAL 21 -1.162 19.437 -2.489 963 1HG2 VAL 21 1HG2 VAL 21 0.193 21.384 -3.960 964 2HG2 VAL 21 2HG2 VAL 21 0.061 20.924 -5.656 965 3HG2 VAL 21 3HG2 VAL 21 1.567 20.651 -4.785 966 H SER 22 H SER 22 2.925 19.460 -4.615 967 HA SER 22 HA SER 22 3.616 16.956 -6.050 968 1HB SER 22 2HB SER 22 5.065 19.610 -6.021 969 2HB SER 22 1HB SER 22 5.096 18.387 -7.286 970 HG SER 22 HG SER 22 3.600 20.373 -7.379 971 H LYS 23 H LYS 23 5.105 19.097 -3.611 972 HA LYS 23 HA LYS 23 7.419 17.348 -3.314 973 1HB LYS 23 2HB LYS 23 6.689 20.007 -2.800 974 2HB LYS 23 1HB LYS 23 6.967 19.293 -1.212 975 1HG LYS 23 2HG LYS 23 9.109 18.301 -2.325 976 2HG LYS 23 1HG LYS 23 8.862 19.577 -3.518 977 1HD LYS 23 2HD LYS 23 10.373 20.312 -1.684 978 2HD LYS 23 1HD LYS 23 8.899 21.277 -1.750 979 1HE LYS 23 2HE LYS 23 8.267 20.609 0.330 980 2HE LYS 23 1HE LYS 23 8.606 18.906 -0.040 981 1HZ LYS 23 1HZ LYS 23 10.916 19.248 0.310 982 2HZ LYS 23 2HZ LYS 23 10.123 19.922 1.653 983 3HZ LYS 23 3HZ LYS 23 10.729 20.930 0.425 984 H MET 24 H MET 24 4.260 17.694 -1.727 985 HA MET 24 HA MET 24 5.187 16.139 0.590 986 1HB MET 24 2HB MET 24 2.469 16.116 0.818 987 2HB MET 24 1HB MET 24 3.497 17.396 1.435 988 1HG MET 24 2HG MET 24 2.676 18.897 -0.041 989 2HG MET 24 1HG MET 24 2.800 17.764 -1.386 990 1HE MET 24 1HE MET 24 -0.189 15.580 -1.255 991 2HE MET 24 2HE MET 24 1.454 15.356 -0.663 992 3HE MET 24 3HE MET 24 1.184 16.203 -2.181 993 H LEU 25 H LEU 25 3.011 15.473 -2.272 994 HA LEU 25 HA LEU 25 2.671 12.703 -1.442 995 1HB LEU 25 2HB LEU 25 2.304 14.273 -3.979 996 2HB LEU 25 1HB LEU 25 2.153 12.520 -4.001 997 HG LEU 25 HG LEU 25 0.316 14.553 -2.912 998 1HD1 LEU 25 1HD1 LEU 25 -1.326 12.989 -3.592 999 2HD1 LEU 25 2HD1 LEU 25 -0.202 11.636 -3.479 1000 3HD1 LEU 25 3HD1 LEU 25 -0.038 12.810 -4.781 1001 1HD2 LEU 25 1HD2 LEU 25 1.119 13.603 -0.769 1002 2HD2 LEU 25 2HD2 LEU 25 0.813 11.978 -1.376 1003 3HD2 LEU 25 3HD2 LEU 25 -0.532 13.084 -1.100 1004 H ALA 26 H ALA 26 4.816 14.330 -3.810 1005 HA ALA 26 HA ALA 26 6.299 12.047 -4.622 1006 1HB ALA 26 1HB ALA 26 7.282 14.880 -4.107 1007 2HB ALA 26 2HB ALA 26 6.431 14.372 -5.566 1008 3HB ALA 26 3HB ALA 26 8.020 13.706 -5.196 1009 H SER 27 H SER 27 6.430 14.082 -1.745 1010 HA SER 27 HA SER 27 8.819 12.881 -0.606 1011 1HB SER 27 2HB SER 27 8.243 15.025 0.205 1012 2HB SER 27 1HB SER 27 6.536 14.612 0.334 1013 HG SER 27 HG SER 27 8.615 13.455 1.886 1014 H PHE 28 H PHE 28 5.319 12.403 -0.338 1015 HA PHE 28 HA PHE 28 5.325 10.425 1.730 1016 1HB PHE 28 2HB PHE 28 3.203 11.151 1.353 1017 2HB PHE 28 1HB PHE 28 3.543 11.528 -0.330 1018 HD1 PHE 28 HD1 PHE 28 2.778 10.107 -2.054 1019 HD2 PHE 28 HD2 PHE 28 2.914 8.623 1.976 1020 HE1 PHE 28 HE1 PHE 28 1.484 8.135 -2.741 1021 HE2 PHE 28 HE2 PHE 28 1.620 6.650 1.281 1022 HZ PHE 28 HZ PHE 28 0.891 6.406 -1.065 1023 H GLU 29 H GLU 29 5.660 10.217 -1.773 1024 HA GLU 29 HA GLU 29 5.773 7.297 -1.747 1025 1HB GLU 29 2HB GLU 29 5.905 9.585 -3.683 1026 2HB GLU 29 1HB GLU 29 6.470 7.992 -4.206 1027 1HG GLU 29 2HG GLU 29 4.393 7.119 -4.189 1028 2HG GLU 29 1HG GLU 29 3.989 7.900 -2.669 1029 H LYS 30 H LYS 30 7.830 10.072 -1.744 1030 HA LYS 30 HA LYS 30 10.315 8.629 -2.178 1031 1HB LYS 30 2HB LYS 30 10.089 11.041 -2.614 1032 2HB LYS 30 1HB LYS 30 9.657 11.319 -0.926 1033 1HG LYS 30 2HG LYS 30 11.884 10.366 -0.262 1034 2HG LYS 30 1HG LYS 30 12.310 10.296 -1.972 1035 1HD LYS 30 2HD LYS 30 11.272 12.912 -1.388 1036 2HD LYS 30 1HD LYS 30 12.528 12.524 -0.212 1037 1HE LYS 30 2HE LYS 30 14.002 11.827 -2.163 1038 2HE LYS 30 1HE LYS 30 12.777 12.533 -3.235 1039 1HZ LYS 30 1HZ LYS 30 12.917 14.577 -1.844 1040 2HZ LYS 30 2HZ LYS 30 14.335 14.240 -2.716 1041 3HZ LYS 30 3HZ LYS 30 14.256 13.901 -1.053 1042 H ILE 31 H ILE 31 8.224 9.437 0.581 1043 HA ILE 31 HA ILE 31 10.227 8.430 2.512 1044 HB ILE 31 HB ILE 31 8.547 9.105 4.144 1045 1HG1 ILE 31 2HG1 ILE 31 6.738 10.583 2.609 1046 2HG1 ILE 31 1HG1 ILE 31 6.800 8.967 1.918 1047 1HG2 ILE 31 1HG2 ILE 31 9.806 10.972 3.862 1048 2HG2 ILE 31 2HG2 ILE 31 8.358 11.597 3.074 1049 3HG2 ILE 31 3HG2 ILE 31 9.659 10.905 2.105 1050 1HD1 ILE 31 1HD1 ILE 31 6.714 9.167 4.884 1051 2HD1 ILE 31 2HD1 ILE 31 5.987 7.962 3.822 1052 3HD1 ILE 31 3HD1 ILE 31 5.230 9.544 4.011 1053 H ILE 32 H ILE 32 7.260 7.473 0.962 1054 HA ILE 32 HA ILE 32 6.611 5.191 2.583 1055 HB ILE 32 HB ILE 32 6.183 5.947 -0.323 1056 1HG1 ILE 32 2HG1 ILE 32 4.874 6.982 1.666 1057 2HG1 ILE 32 1HG1 ILE 32 3.916 6.304 0.353 1058 1HG2 ILE 32 1HG2 ILE 32 6.101 3.686 -0.688 1059 2HG2 ILE 32 2HG2 ILE 32 4.478 3.872 -0.024 1060 3HG2 ILE 32 3HG2 ILE 32 5.794 3.309 1.007 1061 1HD1 ILE 32 1HD1 ILE 32 3.249 4.468 1.613 1062 2HD1 ILE 32 2HD1 ILE 32 3.363 5.702 2.868 1063 3HD1 ILE 32 3HD1 ILE 32 4.671 4.540 2.654 1064 H THR 33 H THR 33 8.377 5.587 -0.427 1065 HA THR 33 HA THR 33 9.425 2.903 -0.416 1066 HB THR 33 HB THR 33 9.040 5.039 -2.191 1067 HG1 THR 33 HG1 THR 33 9.055 3.385 -3.433 1068 1HG2 THR 33 1HG2 THR 33 11.983 4.400 -1.941 1069 2HG2 THR 33 2HG2 THR 33 11.227 5.953 -1.589 1070 3HG2 THR 33 3HG2 THR 33 11.247 5.336 -3.241 1071 H GLU 34 H GLU 34 10.424 6.011 0.844 1072 HA GLU 34 HA GLU 34 13.215 5.203 1.267 1073 1HB GLU 34 2HB GLU 34 11.466 7.557 1.885 1074 2HB GLU 34 1HB GLU 34 13.016 7.404 2.699 1075 1HG GLU 34 2HG GLU 34 12.804 7.125 -0.306 1076 2HG GLU 34 1HG GLU 34 12.977 8.711 0.450 1077 H THR 35 H THR 35 10.193 5.390 3.203 1078 HA THR 35 HA THR 35 11.412 4.834 5.761 1079 HB THR 35 HB THR 35 8.671 4.149 4.639 1080 HG1 THR 35 HG1 THR 35 8.677 6.277 4.778 1081 1HG2 THR 35 1HG2 THR 35 9.401 4.375 7.556 1082 2HG2 THR 35 2HG2 THR 35 9.607 2.849 6.699 1083 3HG2 THR 35 3HG2 THR 35 8.007 3.577 6.829 1084 H VAL 36 H VAL 36 9.792 2.700 3.394 1085 HA VAL 36 HA VAL 36 10.442 0.206 4.559 1086 HB VAL 36 HB VAL 36 10.576 -0.479 2.025 1087 1HG1 VAL 36 1HG1 VAL 36 8.071 0.218 1.777 1088 2HG1 VAL 36 2HG1 VAL 36 8.261 0.782 3.438 1089 3HG1 VAL 36 3HG1 VAL 36 8.537 -0.915 3.045 1090 1HG2 VAL 36 1HG2 VAL 36 10.906 1.213 0.607 1091 2HG2 VAL 36 2HG2 VAL 36 10.580 2.412 1.852 1092 3HG2 VAL 36 3HG2 VAL 36 9.249 1.702 0.949 1093 H ALA 37 H ALA 37 12.357 2.488 2.691 1094 HA ALA 37 HA ALA 37 14.754 0.767 2.743 1095 1HB ALA 37 1HB ALA 37 14.208 2.030 0.768 1096 2HB ALA 37 2HB ALA 37 15.670 2.716 1.481 1097 3HB ALA 37 3HB ALA 37 14.120 3.521 1.697 1098 H LYS 38 H LYS 38 13.248 2.881 4.853 1099 HA LYS 38 HA LYS 38 15.785 3.900 6.039 1100 1HB LYS 38 2HB LYS 38 13.348 5.087 5.617 1101 2HB LYS 38 1HB LYS 38 13.145 4.496 7.263 1102 1HG LYS 38 2HG LYS 38 14.564 6.044 8.100 1103 2HG LYS 38 1HG LYS 38 15.757 5.747 6.835 1104 1HD LYS 38 2HD LYS 38 13.221 7.326 6.354 1105 2HD LYS 38 1HD LYS 38 14.740 8.080 6.843 1106 1HE LYS 38 2HE LYS 38 14.809 6.192 4.514 1107 2HE LYS 38 1HE LYS 38 14.144 7.818 4.261 1108 1HZ LYS 38 1HZ LYS 38 16.786 7.141 5.437 1109 2HZ LYS 38 2HZ LYS 38 16.128 8.707 5.410 1110 3HZ LYS 38 3HZ LYS 38 16.507 7.916 3.955 1111 H GLY 39 H GLY 39 13.226 1.623 6.341 1112 1HA GLY 39 2HA GLY 39 13.706 -0.405 7.581 1113 2HA GLY 39 1HA GLY 39 14.504 0.592 8.794 1114 H ASP 40 H ASP 40 11.321 1.052 7.219 1115 HA ASP 40 HA ASP 40 10.021 0.485 9.845 1116 1HB ASP 40 2HB ASP 40 10.504 3.097 8.608 1117 2HB ASP 40 1HB ASP 40 8.806 2.834 9.006 1118 H LYS 41 H LYS 41 8.024 -0.441 9.578 1119 HA LYS 41 HA LYS 41 7.085 -0.957 6.824 1120 1HB LYS 41 2HB LYS 41 6.153 -1.887 9.563 1121 2HB LYS 41 1HB LYS 41 5.593 -2.541 8.024 1122 1HG LYS 41 2HG LYS 41 7.563 -3.661 7.623 1123 2HG LYS 41 1HG LYS 41 8.541 -2.462 8.468 1124 1HD LYS 41 2HD LYS 41 6.603 -4.154 10.020 1125 2HD LYS 41 1HD LYS 41 8.171 -4.819 9.562 1126 1HE LYS 41 2HE LYS 41 9.047 -2.486 10.530 1127 2HE LYS 41 1HE LYS 41 7.545 -2.603 11.470 1128 1HZ LYS 41 1HZ LYS 41 9.504 -3.769 12.477 1129 2HZ LYS 41 2HZ LYS 41 9.457 -4.853 11.169 1130 3HZ LYS 41 3HZ LYS 41 8.140 -4.748 12.238 1131 H VAL 42 H VAL 42 6.288 1.186 6.307 1132 HA VAL 42 HA VAL 42 4.453 2.684 7.907 1133 HB VAL 42 HB VAL 42 5.706 3.606 6.018 1134 1HG1 VAL 42 1HG1 VAL 42 4.013 2.417 3.928 1135 2HG1 VAL 42 2HG1 VAL 42 5.058 1.254 4.740 1136 3HG1 VAL 42 3HG1 VAL 42 5.758 2.669 3.956 1137 1HG2 VAL 42 1HG2 VAL 42 2.913 3.744 4.977 1138 2HG2 VAL 42 2HG2 VAL 42 4.050 5.048 5.318 1139 3HG2 VAL 42 3HG2 VAL 42 3.181 4.268 6.640 1140 H GLN 43 H GLN 43 2.199 2.646 8.032 1141 HA GLN 43 HA GLN 43 0.778 0.536 6.447 1142 1HB GLN 43 2HB GLN 43 0.121 1.122 9.325 1143 2HB GLN 43 1HB GLN 43 -0.155 -0.357 8.407 1144 1HG GLN 43 2HG GLN 43 2.465 -0.434 8.265 1145 2HG GLN 43 1HG GLN 43 2.386 0.645 9.658 1146 1HE2 GLN 43 1HE2 GLN 43 2.343 -0.436 11.628 1147 2HE2 GLN 43 2HE2 GLN 43 1.744 -2.006 11.869 1148 H LEU 44 H LEU 44 -0.631 1.740 5.201 1149 HA LEU 44 HA LEU 44 -1.658 4.337 5.915 1150 1HB LEU 44 2HB LEU 44 -2.769 2.256 4.006 1151 2HB LEU 44 1HB LEU 44 -3.057 3.988 3.937 1152 HG LEU 44 HG LEU 44 -0.468 2.519 3.406 1153 1HD1 LEU 44 1HD1 LEU 44 -2.224 4.423 1.831 1154 2HD1 LEU 44 2HD1 LEU 44 -1.919 2.729 1.478 1155 3HD1 LEU 44 3HD1 LEU 44 -0.625 3.904 1.301 1156 1HD2 LEU 44 1HD2 LEU 44 -0.962 5.303 4.330 1157 2HD2 LEU 44 2HD2 LEU 44 0.158 5.119 2.980 1158 3HD2 LEU 44 3HD2 LEU 44 0.476 4.298 4.508 1159 H THR 45 H THR 45 -3.135 4.683 7.534 1160 HA THR 45 HA THR 45 -4.688 4.051 9.253 1161 HB THR 45 HB THR 45 -6.148 5.188 7.871 1162 HG1 THR 45 HG1 THR 45 -7.961 3.893 7.556 1163 1HG2 THR 45 1HG2 THR 45 -5.542 3.103 5.762 1164 2HG2 THR 45 2HG2 THR 45 -5.088 4.802 5.760 1165 3HG2 THR 45 3HG2 THR 45 -6.777 4.344 5.564 1166 H GLY 46 H GLY 46 -6.137 1.824 6.925 1167 1HA GLY 46 2HA GLY 46 -5.041 -0.507 8.356 1168 2HA GLY 46 1HA GLY 46 -6.785 -0.269 8.469 1169 H PHE 47 H PHE 47 -5.054 0.633 5.528 1170 HA PHE 47 HA PHE 47 -6.213 -1.798 4.242 1171 1HB PHE 47 2HB PHE 47 -6.971 -0.465 2.405 1172 2HB PHE 47 1HB PHE 47 -7.514 0.314 3.885 1173 HD1 PHE 47 HD1 PHE 47 -4.713 0.371 1.396 1174 HD2 PHE 47 HD2 PHE 47 -7.032 2.568 4.253 1175 HE1 PHE 47 HE1 PHE 47 -3.602 2.462 0.690 1176 HE2 PHE 47 HE2 PHE 47 -5.926 4.637 3.550 1177 HZ PHE 47 HZ PHE 47 -4.202 4.603 1.776 1178 H LEU 48 H LEU 48 -3.440 0.350 4.400 1179 HA LEU 48 HA LEU 48 -2.119 -1.521 2.479 1180 1HB LEU 48 2HB LEU 48 -2.362 1.403 2.510 1181 2HB LEU 48 1HB LEU 48 -0.734 0.817 2.192 1182 HG LEU 48 HG LEU 48 -3.216 0.524 0.547 1183 1HD1 LEU 48 1HD1 LEU 48 -1.947 1.833 -0.733 1184 2HD1 LEU 48 2HD1 LEU 48 -0.878 0.454 -0.990 1185 3HD1 LEU 48 3HD1 LEU 48 -0.552 1.592 0.317 1186 1HD2 LEU 48 1HD2 LEU 48 -2.874 -1.777 0.662 1187 2HD2 LEU 48 2HD2 LEU 48 -1.135 -1.608 0.912 1188 3HD2 LEU 48 3HD2 LEU 48 -1.824 -1.347 -0.688 1189 H ASN 49 H ASN 49 -0.822 -2.746 3.757 1190 HA ASN 49 HA ASN 49 0.699 -1.408 5.957 1191 1HB ASN 49 2HB ASN 49 -0.230 -4.211 5.345 1192 2HB ASN 49 1HB ASN 49 1.023 -3.921 6.553 1193 1HD2 ASN 49 1HD2 ASN 49 -0.512 -4.652 8.253 1194 2HD2 ASN 49 2HD2 ASN 49 -1.751 -3.619 8.782 1195 H ILE 50 H ILE 50 2.095 -0.599 3.991 1196 HA ILE 50 HA ILE 50 3.782 -2.350 2.491 1197 HB ILE 50 HB ILE 50 3.763 0.495 3.427 1198 1HG1 ILE 50 2HG1 ILE 50 2.554 -0.407 1.377 1199 2HG1 ILE 50 1HG1 ILE 50 3.597 0.984 1.098 1200 1HG2 ILE 50 1HG2 ILE 50 6.118 -0.036 3.685 1201 2HG2 ILE 50 2HG2 ILE 50 5.917 0.909 2.210 1202 3HG2 ILE 50 3HG2 ILE 50 6.148 -0.836 2.114 1203 1HD1 ILE 50 1HD1 ILE 50 5.026 -1.561 0.838 1204 2HD1 ILE 50 2HD1 ILE 50 4.970 -0.187 -0.265 1205 3HD1 ILE 50 3HD1 ILE 50 3.697 -1.405 -0.309 1206 H LYS 51 H LYS 51 5.444 -3.714 3.263 1207 HA LYS 51 HA LYS 51 6.979 -2.766 5.641 1208 1HB LYS 51 2HB LYS 51 6.571 -5.086 6.673 1209 2HB LYS 51 1HB LYS 51 5.211 -3.966 6.690 1210 1HG LYS 51 2HG LYS 51 4.136 -5.071 4.887 1211 2HG LYS 51 1HG LYS 51 5.599 -5.947 4.447 1212 1HD LYS 51 2HD LYS 51 4.464 -6.341 7.191 1213 2HD LYS 51 1HD LYS 51 3.686 -7.148 5.828 1214 1HE LYS 51 2HE LYS 51 6.162 -7.851 5.210 1215 2HE LYS 51 1HE LYS 51 6.447 -7.558 6.938 1216 1HZ LYS 51 1HZ LYS 51 4.492 -8.937 7.424 1217 2HZ LYS 51 2HZ LYS 51 5.702 -9.818 6.618 1218 3HZ LYS 51 3HZ LYS 51 4.327 -9.287 5.773 1219 HA PRO 52 HA PRO 52 9.999 -4.784 3.015 1220 1HB PRO 52 2HB PRO 52 12.206 -3.846 4.291 1221 2HB PRO 52 1HB PRO 52 11.251 -2.848 3.177 1222 1HG PRO 52 2HG PRO 52 11.332 -2.835 6.131 1223 2HG PRO 52 1HG PRO 52 11.064 -1.505 4.999 1224 1HD PRO 52 2HD PRO 52 9.085 -2.814 6.452 1225 2HD PRO 52 1HD PRO 52 8.815 -1.807 5.013 1226 H VAL 53 H VAL 53 11.163 -6.664 3.213 1227 HA VAL 53 HA VAL 53 11.722 -7.698 5.937 1228 HB VAL 53 HB VAL 53 10.725 -9.850 5.291 1229 1HG1 VAL 53 1HG1 VAL 53 8.408 -9.144 5.435 1230 2HG1 VAL 53 2HG1 VAL 53 8.806 -7.556 4.781 1231 3HG1 VAL 53 3HG1 VAL 53 9.374 -8.017 6.386 1232 1HG2 VAL 53 1HG2 VAL 53 10.639 -8.476 2.690 1233 2HG2 VAL 53 2HG2 VAL 53 9.135 -9.295 3.101 1234 3HG2 VAL 53 3HG2 VAL 53 10.647 -10.202 3.040 1235 H ALA 54 H ALA 54 13.842 -8.040 5.956 1236 HA ALA 54 HA ALA 54 15.566 -8.241 3.731 1237 1HB ALA 54 1HB ALA 54 17.122 -8.262 5.374 1238 2HB ALA 54 2HB ALA 54 16.440 -9.710 6.113 1239 3HB ALA 54 3HB ALA 54 15.761 -8.127 6.485 1240 H ARG 55 H ARG 55 14.823 -9.768 2.198 1241 HA ARG 55 HA ARG 55 14.805 -12.636 3.057 1242 1HB ARG 55 2HB ARG 55 12.876 -11.290 1.801 1243 2HB ARG 55 1HB ARG 55 13.871 -11.634 0.384 1244 1HG ARG 55 2HG ARG 55 13.583 -13.938 0.572 1245 2HG ARG 55 1HG ARG 55 13.232 -13.856 2.298 1246 1HD ARG 55 2HD ARG 55 11.113 -12.496 1.534 1247 2HD ARG 55 1HD ARG 55 11.405 -13.292 -0.025 1248 HE ARG 55 HE ARG 55 10.512 -14.619 2.408 1249 1HH1 ARG 55 1HH1 ARG 55 10.293 -15.197 -0.703 1250 2HH1 ARG 55 2HH1 ARG 55 10.996 -16.780 -0.732 1251 1HH2 ARG 55 1HH2 ARG 55 12.301 -16.548 2.472 1252 2HH2 ARG 55 2HH2 ARG 55 12.132 -17.545 1.066 1253 H GLN 56 H GLN 56 17.275 -12.138 3.043 1254 HA GLN 56 HA GLN 56 18.792 -11.530 0.782 1255 1HB GLN 56 2HB GLN 56 20.555 -12.857 1.921 1256 2HB GLN 56 1HB GLN 56 19.680 -11.808 3.035 1257 1HG GLN 56 2HG GLN 56 18.140 -13.952 3.322 1258 2HG GLN 56 1HG GLN 56 19.590 -14.791 2.774 1259 1HE2 GLN 56 1HE2 GLN 56 21.689 -13.645 3.968 1260 2HE2 GLN 56 2HE2 GLN 56 21.518 -13.557 5.655 1261 H ALA 57 H ALA 57 20.376 -13.394 -0.095 1262 HA ALA 57 HA ALA 57 18.970 -14.816 -2.078 1263 1HB ALA 57 1HB ALA 57 21.306 -14.219 -2.210 1264 2HB ALA 57 2HB ALA 57 21.184 -15.976 -2.316 1265 3HB ALA 57 3HB ALA 57 21.684 -15.214 -0.804 1266 H ARG 58 H ARG 58 19.755 -17.423 -2.130 1267 HA ARG 58 HA ARG 58 19.226 -18.920 0.301 1268 1HB ARG 58 2HB ARG 58 16.916 -19.424 -0.077 1269 2HB ARG 58 1HB ARG 58 17.037 -17.690 -0.369 1270 1HG ARG 58 2HG ARG 58 17.016 -19.874 -2.480 1271 2HG ARG 58 1HG ARG 58 15.734 -18.715 -2.157 1272 1HD ARG 58 2HD ARG 58 16.728 -17.458 -3.777 1273 2HD ARG 58 1HD ARG 58 17.940 -17.078 -2.570 1274 HE ARG 58 HE ARG 58 18.399 -19.631 -3.917 1275 1HH1 ARG 58 1HH1 ARG 58 18.605 -16.240 -4.472 1276 2HH1 ARG 58 2HH1 ARG 58 20.163 -16.324 -5.220 1277 1HH2 ARG 58 1HH2 ARG 58 20.550 -19.722 -4.676 1278 2HH2 ARG 58 2HH2 ARG 58 21.260 -18.288 -5.336 1279 H LYS 59 H LYS 59 17.877 -21.080 -0.931 1280 HA LYS 59 HA LYS 59 18.363 -22.145 -3.347 1281 1HB LYS 59 2HB LYS 59 20.659 -23.120 -3.284 1282 2HB LYS 59 1HB LYS 59 20.666 -21.362 -3.322 1283 1HG LYS 59 2HG LYS 59 20.615 -21.771 -0.637 1284 2HG LYS 59 1HG LYS 59 21.491 -23.213 -1.150 1285 1HD LYS 59 2HD LYS 59 22.342 -20.675 -2.427 1286 2HD LYS 59 1HD LYS 59 22.697 -20.824 -0.706 1287 1HE LYS 59 2HE LYS 59 23.407 -23.321 -1.710 1288 2HE LYS 59 1HE LYS 59 23.953 -22.193 -2.968 1289 1HZ LYS 59 1HZ LYS 59 24.487 -21.941 -0.054 1290 2HZ LYS 59 2HZ LYS 59 24.972 -20.828 -1.243 1291 3HZ LYS 59 3HZ LYS 59 25.621 -22.399 -1.229 1292 H GLY 60 H GLY 60 16.667 -23.415 -2.385 1293 1HA GLY 60 2HA GLY 60 17.654 -25.541 -0.526 1294 2HA GLY 60 1HA GLY 60 16.006 -24.917 -0.486 1295 H PHE 61 H PHE 61 14.519 -26.083 -1.574 1296 HA PHE 61 HA PHE 61 14.887 -27.284 -4.164 1297 1HB PHE 61 2HB PHE 61 15.269 -29.578 -3.556 1298 2HB PHE 61 1HB PHE 61 16.388 -28.670 -2.533 1299 HD1 PHE 61 HD1 PHE 61 16.110 -28.582 -0.169 1300 HD2 PHE 61 HD2 PHE 61 13.023 -30.296 -2.609 1301 HE1 PHE 61 HE1 PHE 61 14.938 -29.358 1.866 1302 HE2 PHE 61 HE2 PHE 61 11.858 -31.062 -0.588 1303 HZ PHE 61 HZ PHE 61 12.808 -30.608 1.658 1304 H ASN 62 H ASN 62 13.088 -29.005 -4.505 1305 HA ASN 62 HA ASN 62 10.784 -28.473 -2.725 1306 1HB ASN 62 2HB ASN 62 9.863 -27.196 -4.297 1307 2HB ASN 62 1HB ASN 62 11.227 -27.500 -5.367 1308 1HD2 ASN 62 1HD2 ASN 62 10.553 -28.362 -7.336 1309 2HD2 ASN 62 2HD2 ASN 62 9.225 -29.398 -7.549 1310 HA PRO 63 HA PRO 63 9.983 -32.605 -5.035 1311 1HB PRO 63 2HB PRO 63 12.122 -33.799 -6.265 1312 2HB PRO 63 1HB PRO 63 10.981 -32.729 -7.106 1313 1HG PRO 63 2HG PRO 63 13.698 -32.144 -6.051 1314 2HG PRO 63 1HG PRO 63 12.919 -31.585 -7.539 1315 1HD PRO 63 2HD PRO 63 13.161 -30.058 -5.307 1316 2HD PRO 63 1HD PRO 63 11.844 -29.857 -6.478 1317 H GLN 64 H GLN 64 10.444 -32.377 -2.522 1318 HA GLN 64 HA GLN 64 11.627 -34.857 -1.642 1319 1HB GLN 64 2HB GLN 64 13.283 -32.522 -1.887 1320 2HB GLN 64 1HB GLN 64 13.118 -32.907 -0.177 1321 1HG GLN 64 2HG GLN 64 14.703 -34.478 -0.484 1322 2HG GLN 64 1HG GLN 64 13.499 -35.392 -1.391 1323 1HE2 GLN 64 1HE2 GLN 64 15.362 -32.394 -2.176 1324 2HE2 GLN 64 2HE2 GLN 64 15.967 -32.985 -3.647 1325 H THR 65 H THR 65 11.921 -32.320 0.691 1326 HA THR 65 HA THR 65 9.550 -33.237 2.119 1327 HB THR 65 HB THR 65 11.967 -32.032 2.738 1328 HG1 THR 65 HG1 THR 65 10.832 -33.253 4.180 1329 1HG2 THR 65 1HG2 THR 65 11.004 -29.827 2.019 1330 2HG2 THR 65 2HG2 THR 65 11.494 -29.863 3.713 1331 3HG2 THR 65 3HG2 THR 65 9.788 -29.998 3.286 1332 H GLN 66 H GLN 66 9.965 -31.263 -0.526 1333 HA GLN 66 HA GLN 66 8.465 -29.920 -1.711 1334 1HB GLN 66 2HB GLN 66 6.913 -31.400 0.060 1335 2HB GLN 66 1HB GLN 66 6.413 -29.738 0.372 1336 1HG GLN 66 2HG GLN 66 5.034 -30.694 -1.411 1337 2HG GLN 66 1HG GLN 66 6.056 -29.415 -2.069 1338 1HE2 GLN 66 1HE2 GLN 66 6.836 -32.852 -1.289 1339 2HE2 GLN 66 2HE2 GLN 66 7.372 -33.236 -2.852 1340 H GLU 67 H GLU 67 9.635 -28.042 -1.677 1341 HA GLU 67 HA GLU 67 8.674 -25.669 -0.617 1342 1HB GLU 67 2HB GLU 67 10.026 -27.320 1.378 1343 2HB GLU 67 1HB GLU 67 10.824 -25.759 1.204 1344 1HG GLU 67 2HG GLU 67 8.238 -24.954 1.206 1345 2HG GLU 67 1HG GLU 67 8.111 -26.387 2.227 1346 H ALA 68 H ALA 68 9.665 -25.792 -2.946 1347 HA ALA 68 HA ALA 68 12.514 -25.699 -3.354 1348 1HB ALA 68 1HB ALA 68 11.719 -25.750 -5.438 1349 2HB ALA 68 2HB ALA 68 11.094 -24.113 -5.251 1350 3HB ALA 68 3HB ALA 68 10.089 -25.494 -4.818 1351 H LEU 69 H LEU 69 13.940 -24.042 -3.248 1352 HA LEU 69 HA LEU 69 12.924 -21.297 -2.638 1353 1HB LEU 69 2HB LEU 69 15.306 -22.406 -1.193 1354 2HB LEU 69 1HB LEU 69 14.092 -21.262 -0.624 1355 HG LEU 69 HG LEU 69 13.437 -24.168 -1.161 1356 1HD1 LEU 69 1HD1 LEU 69 14.176 -24.838 0.856 1357 2HD1 LEU 69 2HD1 LEU 69 13.729 -23.322 1.638 1358 3HD1 LEU 69 3HD1 LEU 69 15.240 -23.437 0.734 1359 1HD2 LEU 69 1HD2 LEU 69 11.347 -23.464 -0.688 1360 2HD2 LEU 69 2HD2 LEU 69 11.940 -21.829 -0.426 1361 3HD2 LEU 69 3HD2 LEU 69 11.893 -22.975 0.912 1362 H GLU 70 H GLU 70 13.911 -19.871 -4.019 1363 HA GLU 70 HA GLU 70 16.759 -20.075 -4.674 1364 1HB GLU 70 2HB GLU 70 15.089 -21.685 -6.102 1365 2HB GLU 70 1HB GLU 70 15.041 -20.226 -7.094 1366 1HG GLU 70 2HG GLU 70 17.615 -20.234 -6.901 1367 2HG GLU 70 1HG GLU 70 17.439 -21.896 -6.338 1368 H ILE 71 H ILE 71 14.646 -18.089 -3.696 1369 HA ILE 71 HA ILE 71 14.129 -16.081 -5.671 1370 HB ILE 71 HB ILE 71 13.735 -14.693 -3.659 1371 1HG1 ILE 71 2HG1 ILE 71 14.107 -16.308 -1.488 1372 2HG1 ILE 71 1HG1 ILE 71 15.504 -16.739 -2.467 1373 1HG2 ILE 71 1HG2 ILE 71 12.736 -17.489 -3.887 1374 2HG2 ILE 71 2HG2 ILE 71 11.848 -15.967 -3.966 1375 3HG2 ILE 71 3HG2 ILE 71 12.352 -16.613 -2.405 1376 1HD1 ILE 71 1HD1 ILE 71 15.459 -14.608 -0.787 1377 2HD1 ILE 71 2HD1 ILE 71 14.928 -13.841 -2.284 1378 3HD1 ILE 71 3HD1 ILE 71 16.474 -14.687 -2.227 1379 H ALA 72 H ALA 72 15.331 -13.816 -4.227 1380 HA ALA 72 HA ALA 72 18.214 -14.191 -4.894 1381 1HB ALA 72 1HB ALA 72 17.442 -13.148 -6.816 1382 2HB ALA 72 2HB ALA 72 17.802 -11.731 -5.828 1383 3HB ALA 72 3HB ALA 72 16.143 -12.315 -5.963 1384 HA PRO 73 HA PRO 73 19.077 -11.909 -1.236 1385 1HB PRO 73 2HB PRO 73 21.254 -10.441 -2.012 1386 2HB PRO 73 1HB PRO 73 21.322 -12.191 -1.722 1387 1HG PRO 73 2HG PRO 73 21.132 -10.707 -4.298 1388 2HG PRO 73 1HG PRO 73 22.070 -12.155 -3.896 1389 1HD PRO 73 2HD PRO 73 19.718 -12.237 -5.268 1390 2HD PRO 73 1HD PRO 73 20.283 -13.563 -4.228 1391 H SER 74 H SER 74 17.691 -10.316 -0.615 1392 HA SER 74 HA SER 74 18.000 -7.565 -1.090 1393 1HB SER 74 2HB SER 74 17.552 -7.712 -3.383 1394 2HB SER 74 1HB SER 74 16.430 -9.053 -3.177 1395 HG SER 74 HG SER 74 16.026 -6.329 -2.473 1396 H VAL 75 H VAL 75 16.597 -6.482 0.310 1397 HA VAL 75 HA VAL 75 14.901 -7.915 2.096 1398 HB VAL 75 HB VAL 75 15.916 -5.705 2.514 1399 1HG1 VAL 75 1HG1 VAL 75 15.142 -5.087 -0.012 1400 2HG1 VAL 75 2HG1 VAL 75 15.568 -3.878 1.197 1401 3HG1 VAL 75 3HG1 VAL 75 13.875 -4.281 0.913 1402 1HG2 VAL 75 1HG2 VAL 75 13.913 -6.318 3.804 1403 2HG2 VAL 75 2HG2 VAL 75 12.884 -5.639 2.544 1404 3HG2 VAL 75 3HG2 VAL 75 13.935 -4.585 3.485 1405 H GLY 76 H GLY 76 12.445 -7.561 2.249 1406 1HA GLY 76 2HA GLY 76 11.295 -7.514 -0.523 1407 2HA GLY 76 1HA GLY 76 10.707 -8.599 0.736 1408 H VAL 77 H VAL 77 10.592 -5.377 -0.529 1409 HA VAL 77 HA VAL 77 9.216 -4.117 1.688 1410 HB VAL 77 HB VAL 77 10.400 -2.863 -0.059 1411 1HG1 VAL 77 1HG1 VAL 77 8.894 -2.880 -2.330 1412 2HG1 VAL 77 2HG1 VAL 77 8.707 -4.553 -1.807 1413 3HG1 VAL 77 3HG1 VAL 77 10.317 -3.894 -2.093 1414 1HG2 VAL 77 1HG2 VAL 77 7.600 -2.442 0.611 1415 2HG2 VAL 77 2HG2 VAL 77 7.981 -1.768 -0.972 1416 3HG2 VAL 77 3HG2 VAL 77 8.896 -1.260 0.447 1417 H SER 78 H SER 78 7.836 -6.206 1.933 1418 HA SER 78 HA SER 78 5.738 -6.761 0.058 1419 1HB SER 78 2HB SER 78 5.565 -7.178 3.038 1420 2HB SER 78 1HB SER 78 4.974 -8.220 1.749 1421 HG SER 78 HG SER 78 7.144 -8.646 1.205 1422 H VAL 79 H VAL 79 3.390 -6.582 0.902 1423 HA VAL 79 HA VAL 79 2.432 -4.424 2.497 1424 HB VAL 79 HB VAL 79 3.616 -3.085 0.780 1425 1HG1 VAL 79 1HG1 VAL 79 2.967 -5.109 -0.939 1426 2HG1 VAL 79 2HG1 VAL 79 3.529 -3.519 -1.450 1427 3HG1 VAL 79 3HG1 VAL 79 1.803 -3.873 -1.411 1428 1HG2 VAL 79 1HG2 VAL 79 1.826 -1.619 0.188 1429 2HG2 VAL 79 2HG2 VAL 79 1.334 -2.372 1.703 1430 3HG2 VAL 79 3HG2 VAL 79 0.658 -2.936 0.174 1431 H LYS 80 H LYS 80 -0.013 -3.948 1.682 1432 HA LYS 80 HA LYS 80 -1.241 -5.782 -0.139 1433 1HB LYS 80 2HB LYS 80 -2.309 -7.253 1.591 1434 2HB LYS 80 1HB LYS 80 -0.557 -7.421 1.549 1435 1HG LYS 80 2HG LYS 80 -0.290 -6.509 3.620 1436 2HG LYS 80 1HG LYS 80 -1.563 -5.315 3.366 1437 1HD LYS 80 2HD LYS 80 -2.343 -6.821 5.074 1438 2HD LYS 80 1HD LYS 80 -3.239 -7.200 3.603 1439 1HE LYS 80 2HE LYS 80 -2.357 -9.294 3.493 1440 2HE LYS 80 1HE LYS 80 -0.717 -8.700 3.827 1441 1HZ LYS 80 1HZ LYS 80 -1.177 -8.562 6.124 1442 2HZ LYS 80 2HZ LYS 80 -1.746 -10.088 5.638 1443 3HZ LYS 80 3HZ LYS 80 -2.839 -8.813 5.895 1444 HA PRO 81 HA PRO 81 -4.700 -3.211 0.916 1445 1HB PRO 81 2HB PRO 81 -6.716 -4.742 -0.103 1446 2HB PRO 81 1HB PRO 81 -5.519 -3.925 -1.127 1447 1HG PRO 81 2HG PRO 81 -5.821 -6.769 -0.537 1448 2HG PRO 81 1HG PRO 81 -4.940 -5.978 -1.848 1449 1HD PRO 81 2HD PRO 81 -3.888 -7.068 0.596 1450 2HD PRO 81 1HD PRO 81 -3.005 -6.346 -0.764 1451 H GLY 82 H GLY 82 -5.773 -2.910 2.831 1452 1HA GLY 82 2HA GLY 82 -6.403 -5.248 4.539 1453 2HA GLY 82 1HA GLY 82 -6.448 -3.558 5.050 1454 H GLU 83 H GLU 83 -8.658 -4.803 5.815 1455 HA GLU 83 HA GLU 83 -10.714 -5.049 3.805 1456 1HB GLU 83 2HB GLU 83 -12.202 -5.163 5.755 1457 2HB GLU 83 1HB GLU 83 -10.770 -6.167 5.985 1458 1HG GLU 83 2HG GLU 83 -9.853 -3.859 7.041 1459 2HG GLU 83 1HG GLU 83 -11.574 -3.661 7.376 1460 H SER 84 H SER 84 -9.508 -2.347 5.717 1461 HA SER 84 HA SER 84 -11.627 -0.505 5.590 1462 1HB SER 84 2HB SER 84 -8.684 -0.477 5.684 1463 2HB SER 84 1HB SER 84 -9.365 0.973 4.952 1464 HG SER 84 HG SER 84 -9.444 0.083 7.550 1465 H LEU 85 H LEU 85 -9.473 -1.674 3.102 1466 HA LEU 85 HA LEU 85 -10.446 0.143 1.006 1467 1HB LEU 85 2HB LEU 85 -8.243 -1.588 1.549 1468 2HB LEU 85 1HB LEU 85 -9.029 -2.194 0.096 1469 HG LEU 85 HG LEU 85 -8.293 0.711 0.483 1470 1HD1 LEU 85 1HD1 LEU 85 -6.739 -0.913 -1.425 1471 2HD1 LEU 85 2HD1 LEU 85 -6.464 -1.322 0.268 1472 3HD1 LEU 85 3HD1 LEU 85 -6.192 0.326 -0.297 1473 1HD2 LEU 85 1HD2 LEU 85 -9.549 -0.951 -1.628 1474 2HD2 LEU 85 2HD2 LEU 85 -8.369 0.236 -2.185 1475 3HD2 LEU 85 3HD2 LEU 85 -9.779 0.756 -1.263 1476 H LYS 86 H LYS 86 -10.845 -3.242 2.021 1477 HA LYS 86 HA LYS 86 -12.510 -4.001 -0.212 1478 1HB LYS 86 2HB LYS 86 -11.252 -5.202 1.988 1479 2HB LYS 86 1HB LYS 86 -12.974 -5.460 2.266 1480 1HG LYS 86 2HG LYS 86 -13.222 -6.463 0.060 1481 2HG LYS 86 1HG LYS 86 -11.538 -6.113 -0.324 1482 1HD LYS 86 2HD LYS 86 -11.073 -7.482 1.889 1483 2HD LYS 86 1HD LYS 86 -12.664 -8.164 1.549 1484 1HE LYS 86 2HE LYS 86 -11.887 -9.372 -0.224 1485 2HE LYS 86 1HE LYS 86 -10.890 -8.026 -0.811 1486 1HZ LYS 86 1HZ LYS 86 -9.604 -9.950 0.113 1487 2HZ LYS 86 2HZ LYS 86 -10.253 -9.575 1.638 1488 3HZ LYS 86 3HZ LYS 86 -9.261 -8.454 0.835 1489 H LYS 87 H LYS 87 -13.099 -2.714 2.994 1490 HA LYS 87 HA LYS 87 -15.955 -2.971 2.946 1491 1HB LYS 87 2HB LYS 87 -14.780 -2.588 5.024 1492 2HB LYS 87 1HB LYS 87 -13.966 -1.169 4.367 1493 1HG LYS 87 2HG LYS 87 -15.807 0.186 4.641 1494 2HG LYS 87 1HG LYS 87 -16.947 -1.131 4.367 1495 1HD LYS 87 2HD LYS 87 -17.099 -0.527 6.697 1496 2HD LYS 87 1HD LYS 87 -16.257 -2.074 6.609 1497 1HE LYS 87 2HE LYS 87 -14.088 -0.580 6.520 1498 2HE LYS 87 1HE LYS 87 -15.144 0.644 7.254 1499 1HZ LYS 87 1HZ LYS 87 -15.789 -0.941 8.940 1500 2HZ LYS 87 2HZ LYS 87 -14.097 -0.782 8.935 1501 3HZ LYS 87 3HZ LYS 87 -14.828 -2.146 8.232 1502 H ALA 88 H ALA 88 -13.622 -0.484 1.963 1503 HA ALA 88 HA ALA 88 -15.561 1.421 0.997 1504 1HB ALA 88 1HB ALA 88 -12.894 1.396 1.422 1505 2HB ALA 88 2HB ALA 88 -13.637 2.524 0.288 1506 3HB ALA 88 3HB ALA 88 -12.891 1.040 -0.305 1507 H ALA 89 H ALA 89 -13.959 -1.457 -0.276 1508 HA ALA 89 HA ALA 89 -14.683 -1.279 -3.010 1509 1HB ALA 89 1HB ALA 89 -13.313 -3.018 -1.544 1510 2HB ALA 89 2HB ALA 89 -14.058 -3.516 -3.058 1511 3HB ALA 89 3HB ALA 89 -14.852 -3.879 -1.531 1512 H GLU 90 H GLU 90 -16.537 -2.556 -0.247 1513 HA GLU 90 HA GLU 90 -18.864 -3.394 -1.647 1514 1HB GLU 90 2HB GLU 90 -19.627 -3.640 0.504 1515 2HB GLU 90 1HB GLU 90 -18.010 -3.136 0.983 1516 1HG GLU 90 2HG GLU 90 -18.798 -0.763 0.998 1517 2HG GLU 90 1HG GLU 90 -20.427 -1.335 0.640 1518 H GLY 91 H GLY 91 -17.612 -0.258 -0.715 1519 1HA GLY 91 2HA GLY 91 -19.880 1.371 -1.323 1520 2HA GLY 91 1HA GLY 91 -18.203 1.917 -1.363 1521 H LEU 92 H LEU 92 -17.191 0.200 -3.447 1522 HA LEU 92 HA LEU 92 -18.208 1.614 -5.790 1523 1HB LEU 92 2HB LEU 92 -16.327 0.695 -6.819 1524 2HB LEU 92 1HB LEU 92 -15.841 0.625 -5.138 1525 HG LEU 92 HG LEU 92 -17.159 -1.769 -5.415 1526 1HD1 LEU 92 1HD1 LEU 92 -16.870 -0.916 -8.021 1527 2HD1 LEU 92 2HD1 LEU 92 -17.022 -2.601 -7.526 1528 3HD1 LEU 92 3HD1 LEU 92 -15.425 -1.901 -7.792 1529 1HD2 LEU 92 1HD2 LEU 92 -14.389 -2.101 -6.156 1530 2HD2 LEU 92 2HD2 LEU 92 -15.165 -2.435 -4.609 1531 3HD2 LEU 92 3HD2 LEU 92 -14.527 -0.828 -4.946 1532 H LYS 93 H LYS 93 -19.901 -0.529 -4.198 1533 HA LYS 93 HA LYS 93 -21.504 -2.166 -4.782 1534 1HB LYS 93 2HB LYS 93 -20.958 -0.676 -7.359 1535 2HB LYS 93 1HB LYS 93 -22.047 -2.060 -7.348 1536 1HG LYS 93 2HG LYS 93 -23.382 -0.076 -7.010 1537 2HG LYS 93 1HG LYS 93 -23.318 -0.947 -5.477 1538 1HD LYS 93 2HD LYS 93 -22.007 0.645 -4.466 1539 2HD LYS 93 1HD LYS 93 -21.176 1.062 -5.965 1540 1HE LYS 93 2HE LYS 93 -22.513 2.892 -6.084 1541 2HE LYS 93 1HE LYS 93 -23.875 1.792 -6.379 1542 1HZ LYS 93 1HZ LYS 93 -24.219 1.547 -4.046 1543 2HZ LYS 93 2HZ LYS 93 -24.153 3.214 -4.373 1544 3HZ LYS 93 3HZ LYS 93 -22.816 2.427 -3.679 1545 H TYR 94 H TYR 94 -18.876 -2.924 -4.418 1546 HA TYR 94 HA TYR 94 -17.319 -4.254 -6.197 1547 1HB TYR 94 2HB TYR 94 -16.559 -4.628 -4.092 1548 2HB TYR 94 1HB TYR 94 -18.186 -4.611 -3.413 1549 HD1 TYR 94 HD1 TYR 94 -16.270 -6.733 -5.826 1550 HD2 TYR 94 HD2 TYR 94 -18.803 -6.569 -2.373 1551 HE1 TYR 94 HE1 TYR 94 -16.271 -9.214 -5.727 1552 HE2 TYR 94 HE2 TYR 94 -18.813 -9.055 -2.264 1553 HH TYR 94 HH TYR 94 -18.373 -10.952 -3.529 1554 H GLU 95 H GLU 95 -20.524 -5.367 -5.136 1555 HA GLU 95 HA GLU 95 -20.435 -7.952 -6.374 1556 1HB GLU 95 2HB GLU 95 -22.268 -7.958 -5.055 1557 2HB GLU 95 1HB GLU 95 -22.277 -6.202 -4.977 1558 1HG GLU 95 2HG GLU 95 -24.374 -6.922 -5.934 1559 2HG GLU 95 1HG GLU 95 -23.427 -6.182 -7.220 1560 H ASP 96 H ASP 96 -21.614 -4.791 -7.532 1561 HA ASP 96 HA ASP 96 -22.589 -5.595 -10.079 1562 1HB ASP 96 2HB ASP 96 -21.373 -3.111 -8.890 1563 2HB ASP 96 1HB ASP 96 -21.727 -3.153 -10.616 1564 H PHE 97 H PHE 97 -19.342 -4.947 -8.885 1565 HA PHE 97 HA PHE 97 -18.064 -5.255 -11.517 1566 1HB PHE 97 2HB PHE 97 -17.477 -4.019 -9.131 1567 2HB PHE 97 1HB PHE 97 -16.491 -5.477 -9.018 1568 HD1 PHE 97 HD1 PHE 97 -16.591 -2.172 -10.236 1569 HD2 PHE 97 HD2 PHE 97 -15.182 -6.099 -11.250 1570 HE1 PHE 97 HE1 PHE 97 -14.930 -1.175 -11.786 1571 HE2 PHE 97 HE2 PHE 97 -13.522 -5.106 -12.801 1572 HZ PHE 97 HZ PHE 97 -13.396 -2.643 -13.070 1573 H ALA 98 H ALA 98 -18.931 -7.227 -8.766 1574 HA ALA 98 HA ALA 98 -17.139 -9.435 -9.201 1575 1HB ALA 98 1HB ALA 98 -18.385 -10.399 -7.471 1576 2HB ALA 98 2HB ALA 98 -19.897 -9.690 -8.037 1577 3HB ALA 98 3HB ALA 98 -18.707 -8.685 -7.212 1578 H LYS 99 H LYS 99 -20.552 -8.922 -10.109 1579 HA LYS 99 HA LYS 99 -20.733 -11.390 -11.638 1580 1HB LYS 99 2HB LYS 99 -22.382 -8.979 -11.031 1581 2HB LYS 99 1HB LYS 99 -22.829 -9.911 -12.460 1582 1HG LYS 99 2HG LYS 99 -22.475 -11.937 -10.716 1583 2HG LYS 99 1HG LYS 99 -22.958 -10.670 -9.587 1584 1HD LYS 99 2HD LYS 99 -24.504 -11.286 -12.116 1585 2HD LYS 99 1HD LYS 99 -24.866 -12.046 -10.565 1586 1HE LYS 99 2HE LYS 99 -25.797 -10.135 -9.706 1587 2HE LYS 99 1HE LYS 99 -24.609 -9.085 -10.504 1588 1HZ LYS 99 1HZ LYS 99 -26.927 -9.004 -11.452 1589 2HZ LYS 99 2HZ LYS 99 -26.680 -10.594 -11.996 1590 3HZ LYS 99 3HZ LYS 99 -25.693 -9.335 -12.568 Start of MODEL 23 1 1H MET 1 1H MET 1 5.708 3.890 10.590 2 2H MET 1 2H MET 1 5.068 3.369 9.106 3 3H MET 1 3H MET 1 4.241 3.040 10.553 4 HA MET 1 HA MET 1 4.151 5.577 10.840 5 1HB MET 1 2HB MET 1 5.321 5.077 8.161 6 2HB MET 1 1HB MET 1 4.077 6.322 8.217 7 1HG MET 1 2HG MET 1 5.308 7.682 9.657 8 2HG MET 1 1HG MET 1 6.255 6.333 10.280 9 1HE MET 1 1HE MET 1 5.096 8.128 7.350 10 2HE MET 1 2HE MET 1 5.798 7.015 6.178 11 3HE MET 1 3HE MET 1 6.511 8.611 6.404 12 H ASN 2 H ASN 2 2.097 6.674 9.715 13 HA ASN 2 HA ASN 2 0.309 4.901 8.300 14 1HB ASN 2 2HB ASN 2 -1.265 4.543 10.171 15 2HB ASN 2 1HB ASN 2 0.326 3.883 10.542 16 1HD2 ASN 2 1HD2 ASN 2 -1.455 4.602 12.644 17 2HD2 ASN 2 2HD2 ASN 2 -0.822 5.950 13.459 18 H LYS 3 H LYS 3 -2.156 5.942 9.224 19 HA LYS 3 HA LYS 3 -2.553 8.231 7.670 20 1HB LYS 3 2HB LYS 3 -4.057 6.536 9.201 21 2HB LYS 3 1HB LYS 3 -4.176 8.022 10.142 22 1HG LYS 3 2HG LYS 3 -5.385 9.112 8.527 23 2HG LYS 3 1HG LYS 3 -4.533 8.317 7.205 24 1HD LYS 3 2HD LYS 3 -5.816 6.274 7.535 25 2HD LYS 3 1HD LYS 3 -6.575 6.938 8.978 26 1HE LYS 3 2HE LYS 3 -6.870 8.290 6.270 27 2HE LYS 3 1HE LYS 3 -7.997 7.036 6.822 28 1HZ LYS 3 1HZ LYS 3 -8.779 9.195 7.526 29 2HZ LYS 3 2HZ LYS 3 -7.295 9.533 8.282 30 3HZ LYS 3 3HZ LYS 3 -8.298 8.300 8.884 31 H THR 4 H THR 4 -0.799 8.107 10.615 32 HA THR 4 HA THR 4 -1.086 11.078 10.961 33 HB THR 4 HB THR 4 -0.848 8.753 12.849 34 HG1 THR 4 HG1 THR 4 -2.538 9.775 13.788 35 1HG2 THR 4 1HG2 THR 4 0.979 9.957 13.697 36 2HG2 THR 4 2HG2 THR 4 -0.371 10.602 14.630 37 3HG2 THR 4 3HG2 THR 4 0.273 11.515 13.266 38 H GLU 5 H GLU 5 1.176 8.419 11.680 39 HA GLU 5 HA GLU 5 3.568 9.836 11.910 40 1HB GLU 5 2HB GLU 5 2.745 7.228 11.823 41 2HB GLU 5 1HB GLU 5 3.659 7.349 10.325 42 1HG GLU 5 2HG GLU 5 5.256 6.701 11.962 43 2HG GLU 5 1HG GLU 5 5.516 8.427 11.730 44 H LEU 6 H LEU 6 1.924 8.738 8.942 45 HA LEU 6 HA LEU 6 3.958 9.737 7.132 46 1HB LEU 6 2HB LEU 6 1.046 8.962 6.928 47 2HB LEU 6 1HB LEU 6 1.925 9.572 5.528 48 HG LEU 6 HG LEU 6 3.262 7.435 7.098 49 1HD1 LEU 6 1HD1 LEU 6 1.818 5.736 6.621 50 2HD1 LEU 6 2HD1 LEU 6 1.353 6.435 5.071 51 3HD1 LEU 6 3HD1 LEU 6 0.615 7.024 6.559 52 1HD2 LEU 6 1HD2 LEU 6 3.850 6.710 4.777 53 2HD2 LEU 6 2HD2 LEU 6 4.312 8.379 5.107 54 3HD2 LEU 6 3HD2 LEU 6 2.871 8.037 4.149 55 H ILE 7 H ILE 7 1.161 11.251 8.727 56 HA ILE 7 HA ILE 7 0.992 13.544 7.033 57 HB ILE 7 HB ILE 7 -0.348 14.491 8.719 58 1HG1 ILE 7 2HG1 ILE 7 -0.162 13.235 11.112 59 2HG1 ILE 7 1HG1 ILE 7 1.512 13.165 10.593 60 1HG2 ILE 7 1HG2 ILE 7 -0.477 11.507 9.148 61 2HG2 ILE 7 2HG2 ILE 7 -1.285 12.405 7.866 62 3HG2 ILE 7 3HG2 ILE 7 -1.749 12.656 9.548 63 1HD1 ILE 7 1HD1 ILE 7 -0.191 15.660 10.750 64 2HD1 ILE 7 2HD1 ILE 7 1.471 15.608 10.159 65 3HD1 ILE 7 3HD1 ILE 7 1.122 15.229 11.846 66 H LYS 8 H LYS 8 2.910 12.954 9.968 67 HA LYS 8 HA LYS 8 4.299 15.494 9.759 68 1HB LYS 8 2HB LYS 8 5.734 14.485 11.515 69 2HB LYS 8 1HB LYS 8 4.024 14.256 11.880 70 1HG LYS 8 2HG LYS 8 4.073 11.986 11.298 71 2HG LYS 8 1HG LYS 8 5.545 12.168 10.345 72 1HD LYS 8 2HD LYS 8 6.757 12.726 12.490 73 2HD LYS 8 1HD LYS 8 5.295 12.248 13.356 74 1HE LYS 8 2HE LYS 8 5.563 10.013 12.854 75 2HE LYS 8 1HE LYS 8 6.358 10.349 11.305 76 1HZ LYS 8 1HZ LYS 8 7.527 10.830 13.998 77 2HZ LYS 8 2HZ LYS 8 8.278 11.196 12.519 78 3HZ LYS 8 3HZ LYS 8 7.970 9.579 12.941 79 H ALA 9 H ALA 9 4.650 12.297 8.364 80 HA ALA 9 HA ALA 9 7.396 12.345 7.615 81 1HB ALA 9 1HB ALA 9 5.075 11.300 5.976 82 2HB ALA 9 2HB ALA 9 5.648 10.495 7.436 83 3HB ALA 9 3HB ALA 9 6.715 10.661 6.043 84 H ILE 10 H ILE 10 4.499 13.773 6.070 85 HA ILE 10 HA ILE 10 6.198 14.974 3.962 86 HB ILE 10 HB ILE 10 3.487 14.046 4.270 87 1HG1 ILE 10 2HG1 ILE 10 3.374 14.457 1.849 88 2HG1 ILE 10 1HG1 ILE 10 4.840 15.434 1.941 89 1HG2 ILE 10 1HG2 ILE 10 2.210 15.968 3.426 90 2HG2 ILE 10 2HG2 ILE 10 3.654 16.978 3.507 91 3HG2 ILE 10 3HG2 ILE 10 2.933 16.351 4.989 92 1HD1 ILE 10 1HD1 ILE 10 6.178 13.554 2.541 93 2HD1 ILE 10 2HD1 ILE 10 5.138 12.977 1.239 94 3HD1 ILE 10 3HD1 ILE 10 4.761 12.571 2.913 95 H ALA 11 H ALA 11 4.363 15.701 6.882 96 HA ALA 11 HA ALA 11 4.434 18.557 6.708 97 1HB ALA 11 1HB ALA 11 3.443 16.651 8.399 98 2HB ALA 11 2HB ALA 11 3.544 18.354 8.827 99 3HB ALA 11 3HB ALA 11 4.805 17.238 9.348 100 H GLN 12 H GLN 12 6.940 16.229 7.084 101 HA GLN 12 HA GLN 12 8.808 18.324 8.092 102 1HB GLN 12 2HB GLN 12 8.909 15.286 8.154 103 2HB GLN 12 1HB GLN 12 10.179 16.334 8.785 104 1HG GLN 12 2HG GLN 12 7.465 16.964 9.766 105 2HG GLN 12 1HG GLN 12 8.085 15.393 10.275 106 1HE2 GLN 12 1HE2 GLN 12 9.982 18.383 9.677 107 2HE2 GLN 12 2HE2 GLN 12 10.564 18.515 11.265 108 H ASP 13 H ASP 13 8.471 15.655 5.719 109 HA ASP 13 HA ASP 13 10.934 16.245 4.297 110 1HB ASP 13 2HB ASP 13 8.335 14.809 3.750 111 2HB ASP 13 1HB ASP 13 9.476 15.070 2.431 112 H THR 14 H THR 14 7.589 17.213 4.112 113 HA THR 14 HA THR 14 8.058 19.183 1.952 114 HB THR 14 HB THR 14 5.432 19.114 3.241 115 HG1 THR 14 HG1 THR 14 6.487 16.648 2.314 116 1HG2 THR 14 1HG2 THR 14 5.559 17.754 0.723 117 2HG2 THR 14 2HG2 THR 14 6.552 19.205 0.654 118 3HG2 THR 14 3HG2 THR 14 4.849 19.316 1.097 119 H GLY 15 H GLY 15 6.286 19.289 5.049 120 1HA GLY 15 2HA GLY 15 6.241 20.881 6.771 121 2HA GLY 15 1HA GLY 15 7.956 21.097 6.441 122 H LEU 16 H LEU 16 5.816 21.715 3.845 123 HA LEU 16 HA LEU 16 6.634 24.438 3.503 124 1HB LEU 16 2HB LEU 16 4.251 22.827 2.560 125 2HB LEU 16 1HB LEU 16 4.627 24.442 1.956 126 HG LEU 16 HG LEU 16 7.046 23.185 1.749 127 1HD1 LEU 16 1HD1 LEU 16 5.355 21.096 2.243 128 2HD1 LEU 16 2HD1 LEU 16 6.861 20.963 1.339 129 3HD1 LEU 16 3HD1 LEU 16 5.334 21.150 0.487 130 1HD2 LEU 16 1HD2 LEU 16 4.879 23.151 -0.374 131 2HD2 LEU 16 2HD2 LEU 16 6.615 23.241 -0.644 132 3HD2 LEU 16 3HD2 LEU 16 5.762 24.606 0.075 133 H THR 17 H THR 17 3.410 23.238 4.316 134 HA THR 17 HA THR 17 3.046 25.501 6.213 135 HB THR 17 HB THR 17 2.138 25.539 3.666 136 HG1 THR 17 HG1 THR 17 1.877 27.237 5.087 137 1HG2 THR 17 1HG2 THR 17 -0.005 24.143 5.291 138 2HG2 THR 17 2HG2 THR 17 0.783 23.553 3.829 139 3HG2 THR 17 3HG2 THR 17 -0.297 24.939 3.753 140 H GLN 18 H GLN 18 3.162 22.257 5.886 141 HA GLN 18 HA GLN 18 2.180 20.457 7.043 142 1HB GLN 18 2HB GLN 18 0.969 22.606 8.816 143 2HB GLN 18 1HB GLN 18 1.438 20.969 9.274 144 1HG GLN 18 2HG GLN 18 3.832 21.694 8.568 145 2HG GLN 18 1HG GLN 18 3.205 23.338 8.695 146 1HE2 GLN 18 1HE2 GLN 18 4.589 23.741 10.599 147 2HE2 GLN 18 2HE2 GLN 18 4.198 23.073 12.111 148 H VAL 19 H VAL 19 0.918 22.077 4.903 149 HA VAL 19 HA VAL 19 -1.521 22.854 4.579 150 HB VAL 19 HB VAL 19 -0.302 21.948 2.723 151 1HG1 VAL 19 1HG1 VAL 19 0.850 20.034 3.034 152 2HG1 VAL 19 2HG1 VAL 19 -0.656 19.173 2.728 153 3HG1 VAL 19 3HG1 VAL 19 -0.178 19.560 4.381 154 1HG2 VAL 19 1HG2 VAL 19 -2.000 20.460 1.569 155 2HG2 VAL 19 2HG2 VAL 19 -2.652 21.969 2.200 156 3HG2 VAL 19 3HG2 VAL 19 -2.918 20.463 3.067 157 H SER 20 H SER 20 -1.977 19.465 4.314 158 HA SER 20 HA SER 20 -3.802 19.422 6.622 159 1HB SER 20 2HB SER 20 -4.296 19.160 3.749 160 2HB SER 20 1HB SER 20 -4.826 17.736 4.628 161 HG SER 20 HG SER 20 -6.467 19.285 4.594 162 H VAL 21 H VAL 21 -0.942 18.559 5.924 163 HA VAL 21 HA VAL 21 -0.241 16.075 5.357 164 HB VAL 21 HB VAL 21 1.125 16.064 7.451 165 1HG1 VAL 21 1HG1 VAL 21 1.416 17.620 5.319 166 2HG1 VAL 21 2HG1 VAL 21 2.464 17.805 6.724 167 3HG1 VAL 21 3HG1 VAL 21 1.096 18.893 6.495 168 1HG2 VAL 21 1HG2 VAL 21 -0.672 18.407 8.117 169 2HG2 VAL 21 2HG2 VAL 21 0.856 18.093 8.936 170 3HG2 VAL 21 3HG2 VAL 21 -0.461 16.927 9.052 171 H SER 22 H SER 22 -2.241 16.943 8.053 172 HA SER 22 HA SER 22 -2.716 14.138 8.878 173 1HB SER 22 2HB SER 22 -2.584 15.992 10.509 174 2HB SER 22 1HB SER 22 -3.935 16.794 9.713 175 HG SER 22 HG SER 22 -4.977 15.673 11.202 176 H LYS 23 H LYS 23 -4.359 16.717 7.124 177 HA LYS 23 HA LYS 23 -6.787 15.127 6.762 178 1HB LYS 23 2HB LYS 23 -5.852 17.867 6.461 179 2HB LYS 23 1HB LYS 23 -6.916 17.367 5.145 180 1HG LYS 23 2HG LYS 23 -8.707 16.935 6.598 181 2HG LYS 23 1HG LYS 23 -7.653 16.784 8.004 182 1HD LYS 23 2HD LYS 23 -8.211 19.355 6.493 183 2HD LYS 23 1HD LYS 23 -8.893 18.919 8.060 184 1HE LYS 23 2HE LYS 23 -6.195 18.559 8.507 185 2HE LYS 23 1HE LYS 23 -6.214 19.965 7.425 186 1HZ LYS 23 1HZ LYS 23 -6.533 20.701 9.687 187 2HZ LYS 23 2HZ LYS 23 -7.827 19.621 9.900 188 3HZ LYS 23 3HZ LYS 23 -7.975 20.926 8.823 189 H MET 24 H MET 24 -3.972 16.113 4.728 190 HA MET 24 HA MET 24 -5.188 15.029 2.327 191 1HB MET 24 2HB MET 24 -2.443 14.889 1.916 192 2HB MET 24 1HB MET 24 -3.475 16.245 1.509 193 1HG MET 24 2HG MET 24 -2.653 17.529 3.221 194 2HG MET 24 1HG MET 24 -2.535 16.151 4.306 195 1HE MET 24 1HE MET 24 -1.217 14.606 4.469 196 2HE MET 24 2HE MET 24 0.453 14.437 3.934 197 3HE MET 24 3HE MET 24 -0.862 13.975 2.856 198 H LEU 25 H LEU 25 -2.976 13.671 4.829 199 HA LEU 25 HA LEU 25 -2.824 11.133 3.378 200 1HB LEU 25 2HB LEU 25 -1.918 12.261 5.986 201 2HB LEU 25 1HB LEU 25 -1.943 10.504 5.794 202 HG LEU 25 HG LEU 25 -0.757 12.229 3.649 203 1HD1 LEU 25 1HD1 LEU 25 0.311 11.735 6.354 204 2HD1 LEU 25 2HD1 LEU 25 0.713 13.005 5.201 205 3HD1 LEU 25 3HD1 LEU 25 1.434 11.405 5.037 206 1HD2 LEU 25 1HD2 LEU 25 -0.156 9.426 4.646 207 2HD2 LEU 25 2HD2 LEU 25 0.549 10.191 3.222 208 3HD2 LEU 25 3HD2 LEU 25 -1.174 9.812 3.258 209 H ALA 26 H ALA 26 -4.614 12.337 6.248 210 HA ALA 26 HA ALA 26 -5.997 9.912 6.844 211 1HB ALA 26 1HB ALA 26 -6.850 12.819 7.067 212 2HB ALA 26 2HB ALA 26 -5.995 11.892 8.301 213 3HB ALA 26 3HB ALA 26 -7.656 11.477 7.878 214 H SER 27 H SER 27 -6.497 12.426 4.434 215 HA SER 27 HA SER 27 -9.029 11.254 3.503 216 1HB SER 27 2HB SER 27 -9.097 13.154 2.085 217 2HB SER 27 1HB SER 27 -8.332 13.741 3.556 218 HG SER 27 HG SER 27 -6.301 13.116 2.409 219 H PHE 28 H PHE 28 -5.595 11.272 2.655 220 HA PHE 28 HA PHE 28 -5.713 10.186 0.028 221 1HB PHE 28 2HB PHE 28 -3.522 10.555 0.481 222 2HB PHE 28 1HB PHE 28 -3.816 10.500 2.211 223 HD1 PHE 28 HD1 PHE 28 -3.555 8.407 3.477 224 HD2 PHE 28 HD2 PHE 28 -2.902 8.483 -0.768 225 HE1 PHE 28 HE1 PHE 28 -2.394 6.269 3.619 226 HE2 PHE 28 HE2 PHE 28 -1.739 6.329 -0.617 227 HZ PHE 28 HZ PHE 28 -1.477 5.198 1.575 228 H GLU 29 H GLU 29 -6.043 8.708 3.186 229 HA GLU 29 HA GLU 29 -6.153 5.982 2.171 230 1HB GLU 29 2HB GLU 29 -6.224 7.520 4.699 231 2HB GLU 29 1HB GLU 29 -7.135 6.013 4.719 232 1HG GLU 29 2HG GLU 29 -5.289 4.739 4.480 233 2HG GLU 29 1HG GLU 29 -4.512 5.887 3.402 234 H LYS 30 H LYS 30 -8.293 8.525 3.271 235 HA LYS 30 HA LYS 30 -10.747 7.040 3.015 236 1HB LYS 30 2HB LYS 30 -10.512 9.151 4.288 237 2HB LYS 30 1HB LYS 30 -10.143 10.009 2.791 238 1HG LYS 30 2HG LYS 30 -12.346 9.412 1.881 239 2HG LYS 30 1HG LYS 30 -12.724 8.524 3.359 240 1HD LYS 30 2HD LYS 30 -12.025 11.473 3.317 241 2HD LYS 30 1HD LYS 30 -13.680 10.864 3.279 242 1HE LYS 30 2HE LYS 30 -13.337 9.720 5.431 243 2HE LYS 30 1HE LYS 30 -11.653 10.279 5.469 244 1HZ LYS 30 1HZ LYS 30 -12.954 11.845 6.685 245 2HZ LYS 30 2HZ LYS 30 -14.102 11.959 5.438 246 3HZ LYS 30 3HZ LYS 30 -12.535 12.575 5.212 247 H ILE 31 H ILE 31 -8.626 8.739 0.760 248 HA ILE 31 HA ILE 31 -10.635 8.514 -1.406 249 HB ILE 31 HB ILE 31 -8.882 9.720 -2.691 250 1HG1 ILE 31 2HG1 ILE 31 -7.202 10.756 -0.816 251 2HG1 ILE 31 1HG1 ILE 31 -7.329 9.071 -0.339 252 1HG2 ILE 31 1HG2 ILE 31 -9.576 11.004 -0.051 253 2HG2 ILE 31 2HG2 ILE 31 -10.650 10.927 -1.448 254 3HG2 ILE 31 3HG2 ILE 31 -9.151 11.852 -1.538 255 1HD1 ILE 31 1HD1 ILE 31 -6.832 8.401 -2.692 256 2HD1 ILE 31 2HD1 ILE 31 -5.508 9.285 -1.934 257 3HD1 ILE 31 3HD1 ILE 31 -6.573 10.102 -3.076 258 H ILE 32 H ILE 32 -7.485 7.229 -0.425 259 HA ILE 32 HA ILE 32 -6.953 5.629 -2.712 260 HB ILE 32 HB ILE 32 -6.389 5.169 0.237 261 1HG1 ILE 32 2HG1 ILE 32 -5.336 7.048 -1.532 262 2HG1 ILE 32 1HG1 ILE 32 -4.556 6.473 -0.061 263 1HG2 ILE 32 1HG2 ILE 32 -4.656 3.553 -0.696 264 2HG2 ILE 32 2HG2 ILE 32 -5.427 3.729 -2.267 265 3HG2 ILE 32 3HG2 ILE 32 -6.327 3.040 -0.922 266 1HD1 ILE 32 1HD1 ILE 32 -3.097 6.345 -2.100 267 2HD1 ILE 32 2HD1 ILE 32 -4.221 5.157 -2.762 268 3HD1 ILE 32 3HD1 ILE 32 -3.325 4.799 -1.284 269 H THR 33 H THR 33 -8.506 4.855 0.355 270 HA THR 33 HA THR 33 -9.472 2.289 -0.493 271 HB THR 33 HB THR 33 -9.278 3.915 1.852 272 HG1 THR 33 HG1 THR 33 -9.594 1.931 2.851 273 1HG2 THR 33 1HG2 THR 33 -11.450 3.342 2.927 274 2HG2 THR 33 2HG2 THR 33 -12.052 2.852 1.343 275 3HG2 THR 33 3HG2 THR 33 -11.595 4.530 1.633 276 H GLU 34 H GLU 34 -10.677 5.593 -0.698 277 HA GLU 34 HA GLU 34 -13.426 4.843 -1.322 278 1HB GLU 34 2HB GLU 34 -11.727 7.282 -1.252 279 2HB GLU 34 1HB GLU 34 -13.202 7.360 -2.205 280 1HG GLU 34 2HG GLU 34 -13.209 6.305 0.633 281 2HG GLU 34 1HG GLU 34 -13.388 8.028 0.292 282 H THR 35 H THR 35 -10.579 5.891 -3.346 283 HA THR 35 HA THR 35 -12.012 5.787 -5.847 284 HB THR 35 HB THR 35 -9.088 5.246 -5.239 285 HG1 THR 35 HG1 THR 35 -10.373 7.616 -6.114 286 1HG2 THR 35 1HG2 THR 35 -9.889 4.444 -7.462 287 2HG2 THR 35 2HG2 THR 35 -8.741 5.775 -7.603 288 3HG2 THR 35 3HG2 THR 35 -10.467 6.073 -7.813 289 H VAL 36 H VAL 36 -9.892 3.361 -4.313 290 HA VAL 36 HA VAL 36 -10.312 1.216 -6.098 291 HB VAL 36 HB VAL 36 -9.998 -0.148 -3.966 292 1HG1 VAL 36 1HG1 VAL 36 -7.744 0.477 -3.698 293 2HG1 VAL 36 2HG1 VAL 36 -8.093 2.177 -4.017 294 3HG1 VAL 36 3HG1 VAL 36 -8.137 1.004 -5.334 295 1HG2 VAL 36 1HG2 VAL 36 -11.131 1.086 -2.331 296 2HG2 VAL 36 2HG2 VAL 36 -10.340 2.587 -2.788 297 3HG2 VAL 36 3HG2 VAL 36 -9.429 1.332 -1.954 298 H ALA 37 H ALA 37 -12.308 2.549 -3.533 299 HA ALA 37 HA ALA 37 -14.481 0.592 -3.961 300 1HB ALA 37 1HB ALA 37 -13.939 1.171 -1.716 301 2HB ALA 37 2HB ALA 37 -15.461 1.989 -2.080 302 3HB ALA 37 3HB ALA 37 -13.950 2.892 -2.090 303 H LYS 38 H LYS 38 -13.476 3.324 -5.488 304 HA LYS 38 HA LYS 38 -16.212 4.371 -6.040 305 1HB LYS 38 2HB LYS 38 -13.908 5.692 -5.452 306 2HB LYS 38 1HB LYS 38 -13.754 5.596 -7.204 307 1HG LYS 38 2HG LYS 38 -15.582 6.948 -7.576 308 2HG LYS 38 1HG LYS 38 -16.396 6.432 -6.098 309 1HD LYS 38 2HD LYS 38 -13.932 8.200 -6.169 310 2HD LYS 38 1HD LYS 38 -15.582 8.795 -5.981 311 1HE LYS 38 2HE LYS 38 -15.738 7.158 -3.970 312 2HE LYS 38 1HE LYS 38 -13.964 7.118 -4.058 313 1HZ LYS 38 1HZ LYS 38 -13.985 9.563 -4.066 314 2HZ LYS 38 2HZ LYS 38 -14.645 8.925 -2.637 315 3HZ LYS 38 3HZ LYS 38 -15.666 9.547 -3.844 316 H GLY 39 H GLY 39 -13.365 2.837 -7.377 317 1HA GLY 39 2HA GLY 39 -14.115 1.150 -9.130 318 2HA GLY 39 1HA GLY 39 -14.804 2.548 -9.947 319 H ASP 40 H ASP 40 -11.636 2.497 -8.287 320 HA ASP 40 HA ASP 40 -10.308 2.459 -10.959 321 1HB ASP 40 2HB ASP 40 -10.880 4.790 -9.363 322 2HB ASP 40 1HB ASP 40 -9.134 4.576 -9.485 323 H LYS 41 H LYS 41 -7.785 2.963 -10.380 324 HA LYS 41 HA LYS 41 -6.974 1.307 -8.033 325 1HB LYS 41 2HB LYS 41 -5.992 1.167 -10.912 326 2HB LYS 41 1HB LYS 41 -5.340 0.224 -9.574 327 1HG LYS 41 2HG LYS 41 -6.965 -1.314 -9.802 328 2HG LYS 41 1HG LYS 41 -8.210 -0.076 -9.656 329 1HD LYS 41 2HD LYS 41 -8.465 -1.149 -11.814 330 2HD LYS 41 1HD LYS 41 -7.847 0.482 -12.080 331 1HE LYS 41 2HE LYS 41 -5.495 -0.828 -11.855 332 2HE LYS 41 1HE LYS 41 -6.499 -2.136 -12.512 333 1HZ LYS 41 1HZ LYS 41 -7.338 -0.498 -14.165 334 2HZ LYS 41 2HZ LYS 41 -5.691 -0.869 -14.345 335 3HZ LYS 41 3HZ LYS 41 -6.161 0.596 -13.625 336 H VAL 42 H VAL 42 -5.453 2.452 -6.884 337 HA VAL 42 HA VAL 42 -4.401 4.959 -8.020 338 HB VAL 42 HB VAL 42 -4.745 3.676 -5.384 339 1HG1 VAL 42 1HG1 VAL 42 -3.030 5.325 -4.392 340 2HG1 VAL 42 2HG1 VAL 42 -2.333 5.380 -6.010 341 3HG1 VAL 42 3HG1 VAL 42 -2.390 3.856 -5.128 342 1HG2 VAL 42 1HG2 VAL 42 -5.257 6.007 -4.759 343 2HG2 VAL 42 2HG2 VAL 42 -6.143 5.526 -6.207 344 3HG2 VAL 42 3HG2 VAL 42 -4.711 6.548 -6.346 345 H GLN 43 H GLN 43 -2.604 4.904 -9.248 346 HA GLN 43 HA GLN 43 -0.504 2.838 -8.706 347 1HB GLN 43 2HB GLN 43 -0.803 4.676 -11.103 348 2HB GLN 43 1HB GLN 43 0.102 3.167 -11.010 349 1HG GLN 43 2HG GLN 43 -2.375 2.284 -10.325 350 2HG GLN 43 1HG GLN 43 -2.801 3.607 -11.410 351 1HE2 GLN 43 1HE2 GLN 43 -1.275 3.586 -13.519 352 2HE2 GLN 43 2HE2 GLN 43 -1.086 2.059 -14.237 353 H LEU 44 H LEU 44 0.756 3.850 -7.093 354 HA LEU 44 HA LEU 44 1.313 6.682 -7.048 355 1HB LEU 44 2HB LEU 44 2.426 4.208 -5.742 356 2HB LEU 44 1HB LEU 44 3.079 5.802 -5.407 357 HG LEU 44 HG LEU 44 0.166 5.052 -5.066 358 1HD1 LEU 44 1HD1 LEU 44 1.077 3.925 -3.270 359 2HD1 LEU 44 2HD1 LEU 44 1.042 5.536 -2.567 360 3HD1 LEU 44 3HD1 LEU 44 2.536 4.914 -3.258 361 1HD2 LEU 44 1HD2 LEU 44 1.239 7.347 -3.610 362 2HD2 LEU 44 2HD2 LEU 44 -0.192 7.244 -4.632 363 3HD2 LEU 44 3HD2 LEU 44 1.389 7.540 -5.354 364 H THR 45 H THR 45 2.602 7.651 -8.578 365 HA THR 45 HA THR 45 4.228 7.730 -10.357 366 HB THR 45 HB THR 45 5.221 8.740 -8.412 367 HG1 THR 45 HG1 THR 45 6.729 8.339 -10.002 368 1HG2 THR 45 1HG2 THR 45 6.476 7.293 -6.747 369 2HG2 THR 45 2HG2 THR 45 5.718 5.895 -7.498 370 3HG2 THR 45 3HG2 THR 45 4.725 7.113 -6.707 371 H GLY 46 H GLY 46 6.676 5.818 -9.135 372 1HA GLY 46 2HA GLY 46 5.781 3.435 -10.691 373 2HA GLY 46 1HA GLY 46 7.414 4.085 -10.860 374 H PHE 47 H PHE 47 5.687 3.954 -7.768 375 HA PHE 47 HA PHE 47 7.491 1.735 -6.961 376 1HB PHE 47 2HB PHE 47 8.470 2.948 -5.302 377 2HB PHE 47 1HB PHE 47 8.115 4.245 -6.428 378 HD1 PHE 47 HD1 PHE 47 5.259 4.772 -6.028 379 HD2 PHE 47 HD2 PHE 47 8.288 3.779 -3.170 380 HE1 PHE 47 HE1 PHE 47 3.998 5.928 -4.255 381 HE2 PHE 47 HE2 PHE 47 7.024 4.910 -1.416 382 HZ PHE 47 HZ PHE 47 4.856 5.984 -1.979 383 H LEU 48 H LEU 48 4.322 3.261 -6.478 384 HA LEU 48 HA LEU 48 3.660 0.747 -5.017 385 1HB LEU 48 2HB LEU 48 3.333 3.545 -4.231 386 2HB LEU 48 1HB LEU 48 1.881 2.562 -4.020 387 HG LEU 48 HG LEU 48 4.642 1.984 -2.922 388 1HD1 LEU 48 1HD1 LEU 48 2.900 3.647 -1.847 389 2HD1 LEU 48 2HD1 LEU 48 3.789 2.509 -0.838 390 3HD1 LEU 48 3HD1 LEU 48 2.127 2.155 -1.315 391 1HD2 LEU 48 1HD2 LEU 48 2.436 0.196 -3.570 392 2HD2 LEU 48 2HD2 LEU 48 2.782 0.172 -1.843 393 3HD2 LEU 48 3HD2 LEU 48 4.057 -0.200 -3.002 394 H ASN 49 H ASN 49 2.054 -0.393 -5.926 395 HA ASN 49 HA ASN 49 0.191 0.998 -7.820 396 1HB ASN 49 2HB ASN 49 2.028 -1.327 -8.088 397 2HB ASN 49 1HB ASN 49 0.443 -1.502 -8.844 398 1HD2 ASN 49 1HD2 ASN 49 3.495 0.257 -8.986 399 2HD2 ASN 49 2HD2 ASN 49 3.169 1.074 -10.438 400 H ILE 50 H ILE 50 -1.780 0.866 -6.798 401 HA ILE 50 HA ILE 50 -2.492 -1.690 -5.417 402 HB ILE 50 HB ILE 50 -3.915 -0.331 -4.031 403 1HG1 ILE 50 2HG1 ILE 50 -3.530 2.311 -4.826 404 2HG1 ILE 50 1HG1 ILE 50 -3.862 1.439 -6.323 405 1HG2 ILE 50 1HG2 ILE 50 -1.669 1.588 -4.279 406 2HG2 ILE 50 2HG2 ILE 50 -1.233 -0.097 -3.996 407 3HG2 ILE 50 3HG2 ILE 50 -2.277 0.747 -2.854 408 1HD1 ILE 50 1HD1 ILE 50 -5.974 0.763 -5.621 409 2HD1 ILE 50 2HD1 ILE 50 -5.862 2.332 -4.826 410 3HD1 ILE 50 3HD1 ILE 50 -5.548 0.858 -3.913 411 H LYS 51 H LYS 51 -4.593 -2.683 -5.909 412 HA LYS 51 HA LYS 51 -6.374 -1.343 -7.822 413 1HB LYS 51 2HB LYS 51 -5.944 -3.210 -9.553 414 2HB LYS 51 1HB LYS 51 -4.720 -1.949 -9.410 415 1HG LYS 51 2HG LYS 51 -3.181 -3.357 -8.456 416 2HG LYS 51 1HG LYS 51 -4.412 -4.321 -7.640 417 1HD LYS 51 2HD LYS 51 -4.082 -4.368 -10.644 418 2HD LYS 51 1HD LYS 51 -3.175 -5.452 -9.588 419 1HE LYS 51 2HE LYS 51 -5.021 -6.721 -9.095 420 2HE LYS 51 1HE LYS 51 -6.102 -5.314 -9.077 421 1HZ LYS 51 1HZ LYS 51 -4.841 -6.371 -11.546 422 2HZ LYS 51 2HZ LYS 51 -6.069 -5.203 -11.431 423 3HZ LYS 51 3HZ LYS 51 -6.394 -6.823 -11.036 424 HA PRO 52 HA PRO 52 -8.727 -4.435 -5.584 425 1HB PRO 52 2HB PRO 52 -11.155 -3.258 -5.945 426 2HB PRO 52 1HB PRO 52 -9.991 -2.699 -4.730 427 1HG PRO 52 2HG PRO 52 -10.718 -1.521 -7.330 428 2HG PRO 52 1HG PRO 52 -10.134 -0.742 -5.858 429 1HD PRO 52 2HD PRO 52 -8.626 -1.309 -8.153 430 2HD PRO 52 1HD PRO 52 -7.993 -0.817 -6.567 431 H VAL 53 H VAL 53 -10.080 -6.150 -6.242 432 HA VAL 53 HA VAL 53 -10.973 -6.140 -9.071 433 HB VAL 53 HB VAL 53 -10.035 -8.361 -9.351 434 1HG1 VAL 53 1HG1 VAL 53 -8.000 -6.613 -7.933 435 2HG1 VAL 53 2HG1 VAL 53 -8.533 -6.353 -9.594 436 3HG1 VAL 53 3HG1 VAL 53 -7.673 -7.832 -9.164 437 1HG2 VAL 53 1HG2 VAL 53 -9.387 -9.706 -7.625 438 2HG2 VAL 53 2HG2 VAL 53 -10.401 -8.638 -6.658 439 3HG2 VAL 53 3HG2 VAL 53 -8.659 -8.373 -6.732 440 H ALA 54 H ALA 54 -11.856 -8.924 -8.772 441 HA ALA 54 HA ALA 54 -13.975 -8.704 -6.695 442 1HB ALA 54 1HB ALA 54 -15.702 -8.525 -8.217 443 2HB ALA 54 2HB ALA 54 -14.818 -9.396 -9.471 444 3HB ALA 54 3HB ALA 54 -14.436 -7.708 -9.136 445 H ARG 55 H ARG 55 -13.516 -10.642 -5.640 446 HA ARG 55 HA ARG 55 -14.356 -13.145 -6.608 447 1HB ARG 55 2HB ARG 55 -12.607 -12.911 -8.318 448 2HB ARG 55 1HB ARG 55 -11.401 -12.591 -7.074 449 1HG ARG 55 2HG ARG 55 -12.000 -14.891 -6.115 450 2HG ARG 55 1HG ARG 55 -12.873 -15.176 -7.621 451 1HD ARG 55 2HD ARG 55 -10.406 -14.180 -8.475 452 2HD ARG 55 1HD ARG 55 -9.995 -15.259 -7.127 453 HE ARG 55 HE ARG 55 -11.653 -16.088 -9.477 454 1HH1 ARG 55 1HH1 ARG 55 -11.440 -17.407 -6.577 455 2HH1 ARG 55 2HH1 ARG 55 -10.483 -18.789 -6.991 456 1HH2 ARG 55 1HH2 ARG 55 -9.614 -17.579 -10.123 457 2HH2 ARG 55 2HH2 ARG 55 -9.449 -18.887 -9.000 458 H GLN 56 H GLN 56 -14.931 -13.164 -4.292 459 HA GLN 56 HA GLN 56 -12.713 -14.188 -2.654 460 1HB GLN 56 2HB GLN 56 -14.037 -11.554 -2.324 461 2HB GLN 56 1HB GLN 56 -13.530 -12.414 -0.873 462 1HG GLN 56 2HG GLN 56 -11.326 -12.718 -2.455 463 2HG GLN 56 1HG GLN 56 -11.896 -11.134 -2.981 464 1HE2 GLN 56 1HE2 GLN 56 -11.040 -9.458 -1.754 465 2HE2 GLN 56 2HE2 GLN 56 -10.597 -9.568 -0.119 466 H ALA 57 H ALA 57 -15.603 -14.945 -3.641 467 HA ALA 57 HA ALA 57 -16.456 -15.940 -0.953 468 1HB ALA 57 1HB ALA 57 -17.817 -14.167 -2.787 469 2HB ALA 57 2HB ALA 57 -18.265 -14.622 -1.144 470 3HB ALA 57 3HB ALA 57 -18.776 -15.618 -2.502 471 H ARG 58 H ARG 58 -18.619 -17.488 -1.834 472 HA ARG 58 HA ARG 58 -17.704 -19.266 -4.008 473 1HB ARG 58 2HB ARG 58 -17.439 -19.731 -1.073 474 2HB ARG 58 1HB ARG 58 -17.841 -21.111 -2.095 475 1HG ARG 58 2HG ARG 58 -15.880 -20.219 -3.592 476 2HG ARG 58 1HG ARG 58 -15.376 -19.396 -2.117 477 1HD ARG 58 2HD ARG 58 -14.648 -21.334 -1.165 478 2HD ARG 58 1HD ARG 58 -16.093 -22.223 -1.684 479 HE ARG 58 HE ARG 58 -15.048 -22.524 -3.886 480 1HH1 ARG 58 1HH2 ARG 58 -13.169 -20.254 -2.277 481 2HH1 ARG 58 2HH2 ARG 58 -11.644 -20.961 -2.695 482 1HH2 ARG 58 1HH1 ARG 58 -13.042 -23.820 -4.069 483 2HH2 ARG 58 2HH1 ARG 58 -11.572 -22.979 -3.708 484 H LYS 59 H LYS 59 -20.186 -17.728 -2.863 485 HA LYS 59 HA LYS 59 -22.350 -18.932 -1.932 486 1HB LYS 59 2HB LYS 59 -22.030 -16.867 -3.506 487 2HB LYS 59 1HB LYS 59 -22.544 -17.978 -4.776 488 1HG LYS 59 2HG LYS 59 -24.696 -17.941 -4.082 489 2HG LYS 59 1HG LYS 59 -24.236 -18.134 -2.390 490 1HD LYS 59 2HD LYS 59 -25.116 -15.992 -2.326 491 2HD LYS 59 1HD LYS 59 -23.426 -15.622 -2.673 492 1HE LYS 59 2HE LYS 59 -25.329 -16.106 -4.956 493 2HE LYS 59 1HE LYS 59 -25.279 -14.517 -4.167 494 1HZ LYS 59 1HZ LYS 59 -23.031 -15.993 -5.419 495 2HZ LYS 59 2HZ LYS 59 -22.795 -14.665 -4.385 496 3HZ LYS 59 3HZ LYS 59 -23.635 -14.469 -5.849 497 H GLY 60 H GLY 60 -21.980 -21.304 -1.974 498 1HA GLY 60 2HA GLY 60 -23.433 -22.565 -4.179 499 2HA GLY 60 1HA GLY 60 -21.734 -23.025 -4.099 500 H PHE 61 H PHE 61 -21.099 -23.558 -1.631 501 HA PHE 61 HA PHE 61 -23.018 -24.768 0.149 502 1HB PHE 61 2HB PHE 61 -22.616 -27.125 -0.527 503 2HB PHE 61 1HB PHE 61 -23.308 -26.209 -1.881 504 HD1 PHE 61 HD1 PHE 61 -21.934 -25.421 -3.690 505 HD2 PHE 61 HD2 PHE 61 -20.244 -27.661 -0.461 506 HE1 PHE 61 HE1 PHE 61 -19.877 -25.715 -5.001 507 HE2 PHE 61 HE2 PHE 61 -18.196 -27.984 -1.769 508 HZ PHE 61 HZ PHE 61 -17.996 -27.028 -4.062 509 H ASN 62 H ASN 62 -21.828 -26.448 1.594 510 HA ASN 62 HA ASN 62 -19.022 -25.531 1.873 511 1HB ASN 62 2HB ASN 62 -20.123 -24.654 3.689 512 2HB ASN 62 1HB ASN 62 -21.253 -26.002 3.780 513 1HD2 ASN 62 1HD2 ASN 62 -18.212 -24.776 4.950 514 2HD2 ASN 62 2HD2 ASN 62 -17.811 -26.109 5.920 515 HA PRO 63 HA PRO 63 -18.812 -30.087 3.299 516 1HB PRO 63 2HB PRO 63 -21.037 -31.654 2.941 517 2HB PRO 63 1HB PRO 63 -20.700 -30.762 4.439 518 1HG PRO 63 2HG PRO 63 -22.504 -30.043 2.177 519 2HG PRO 63 1HG PRO 63 -22.764 -29.878 3.922 520 1HD PRO 63 2HD PRO 63 -22.065 -27.791 2.365 521 2HD PRO 63 1HD PRO 63 -21.538 -27.927 4.056 522 H GLN 64 H GLN 64 -17.835 -29.401 1.076 523 HA GLN 64 HA GLN 64 -17.944 -31.604 -0.728 524 1HB GLN 64 2HB GLN 64 -19.998 -29.589 -0.990 525 2HB GLN 64 1HB GLN 64 -19.009 -29.645 -2.449 526 1HG GLN 64 2HG GLN 64 -19.851 -31.648 -3.067 527 2HG GLN 64 1HG GLN 64 -19.643 -32.316 -1.449 528 1HE2 GLN 64 1HE2 GLN 64 -21.635 -29.496 -2.462 529 2HE2 GLN 64 2HE2 GLN 64 -23.105 -30.148 -1.917 530 H THR 65 H THR 65 -15.937 -30.118 0.513 531 HA THR 65 HA THR 65 -13.792 -29.325 0.022 532 HB THR 65 HB THR 65 -12.962 -29.663 -2.141 533 HG1 THR 65 HG1 THR 65 -14.399 -29.630 -3.967 534 1HG2 THR 65 1HG2 THR 65 -15.332 -31.411 -2.557 535 2HG2 THR 65 2HG2 THR 65 -14.441 -31.620 -1.049 536 3HG2 THR 65 3HG2 THR 65 -13.614 -31.811 -2.595 537 H GLN 66 H GLN 66 -16.492 -27.539 -0.203 538 HA GLN 66 HA GLN 66 -15.057 -25.091 -1.165 539 1HB GLN 66 2HB GLN 66 -17.723 -26.198 -1.521 540 2HB GLN 66 1HB GLN 66 -17.768 -24.525 -1.017 541 1HG GLN 66 2HG GLN 66 -17.695 -24.721 -3.485 542 2HG GLN 66 1HG GLN 66 -16.273 -23.897 -2.853 543 1HE2 GLN 66 1HE2 GLN 66 -16.653 -27.426 -2.577 544 2HE2 GLN 66 2HE2 GLN 66 -15.422 -27.815 -3.672 545 H GLU 67 H GLU 67 -17.373 -23.571 0.242 546 HA GLU 67 HA GLU 67 -16.744 -24.217 3.047 547 1HB GLU 67 2HB GLU 67 -16.177 -21.597 1.650 548 2HB GLU 67 1HB GLU 67 -16.196 -21.759 3.406 549 1HG GLU 67 2HG GLU 67 -14.544 -23.760 2.943 550 2HG GLU 67 1HG GLU 67 -14.268 -22.915 1.419 551 H ALA 68 H ALA 68 -19.058 -23.866 0.975 552 HA ALA 68 HA ALA 68 -21.319 -23.942 2.230 553 1HB ALA 68 1HB ALA 68 -21.911 -21.671 3.029 554 2HB ALA 68 2HB ALA 68 -20.206 -21.269 2.827 555 3HB ALA 68 3HB ALA 68 -20.694 -22.554 3.943 556 H LEU 69 H LEU 69 -23.151 -22.280 1.798 557 HA LEU 69 HA LEU 69 -23.321 -21.888 -1.117 558 1HB LEU 69 2HB LEU 69 -25.400 -21.647 1.072 559 2HB LEU 69 1HB LEU 69 -25.698 -21.883 -0.650 560 HG LEU 69 HG LEU 69 -24.179 -24.006 -0.274 561 1HD1 LEU 69 1HD1 LEU 69 -24.840 -23.116 2.448 562 2HD1 LEU 69 2HD1 LEU 69 -23.571 -24.212 1.902 563 3HD1 LEU 69 3HD1 LEU 69 -25.212 -24.811 2.136 564 1HD2 LEU 69 1HD2 LEU 69 -26.924 -24.302 0.838 565 2HD2 LEU 69 2HD2 LEU 69 -26.097 -25.273 -0.380 566 3HD2 LEU 69 3HD2 LEU 69 -26.746 -23.689 -0.806 567 H GLU 70 H GLU 70 -21.971 -19.939 1.010 568 HA GLU 70 HA GLU 70 -22.551 -17.489 -0.301 569 1HB GLU 70 2HB GLU 70 -24.644 -18.437 1.417 570 2HB GLU 70 1HB GLU 70 -23.962 -16.984 2.141 571 1HG GLU 70 2HG GLU 70 -24.767 -17.157 -0.770 572 2HG GLU 70 1HG GLU 70 -25.841 -16.564 0.497 573 H ILE 71 H ILE 71 -20.125 -18.328 0.653 574 HA ILE 71 HA ILE 71 -19.510 -17.456 3.339 575 HB ILE 71 HB ILE 71 -17.210 -17.681 2.558 576 1HG1 ILE 71 2HG1 ILE 71 -18.251 -18.220 -0.205 577 2HG1 ILE 71 1HG1 ILE 71 -17.791 -16.588 0.286 578 1HG2 ILE 71 1HG2 ILE 71 -18.647 -19.710 2.994 579 2HG2 ILE 71 2HG2 ILE 71 -17.281 -19.993 1.915 580 3HG2 ILE 71 3HG2 ILE 71 -18.906 -19.813 1.252 581 1HD1 ILE 71 1HD1 ILE 71 -15.849 -18.714 0.981 582 2HD1 ILE 71 2HD1 ILE 71 -15.563 -17.092 0.352 583 3HD1 ILE 71 3HD1 ILE 71 -16.030 -18.392 -0.740 584 H ALA 72 H ALA 72 -17.236 -15.747 2.461 585 HA ALA 72 HA ALA 72 -18.868 -13.271 2.327 586 1HB ALA 72 1HB ALA 72 -16.738 -12.319 3.291 587 2HB ALA 72 2HB ALA 72 -16.121 -13.972 3.320 588 3HB ALA 72 3HB ALA 72 -17.539 -13.542 4.277 589 HA PRO 73 HA PRO 73 -16.980 -12.799 -1.746 590 1HB PRO 73 2HB PRO 73 -18.949 -11.139 -2.681 591 2HB PRO 73 1HB PRO 73 -19.109 -12.901 -2.704 592 1HG PRO 73 2HG PRO 73 -20.254 -10.926 -0.801 593 2HG PRO 73 1HG PRO 73 -20.973 -12.398 -1.471 594 1HD PRO 73 2HD PRO 73 -19.929 -12.244 1.042 595 2HD PRO 73 1HD PRO 73 -19.999 -13.748 0.096 596 H SER 74 H SER 74 -15.494 -11.157 -2.066 597 HA SER 74 HA SER 74 -16.052 -8.405 -1.161 598 1HB SER 74 2HB SER 74 -14.633 -10.352 0.414 599 2HB SER 74 1HB SER 74 -13.520 -9.070 -0.052 600 HG SER 74 HG SER 74 -15.725 -9.018 1.607 601 H VAL 75 H VAL 75 -14.944 -6.937 -2.412 602 HA VAL 75 HA VAL 75 -13.719 -7.457 -4.858 603 HB VAL 75 HB VAL 75 -14.454 -5.280 -3.876 604 1HG1 VAL 75 1HG1 VAL 75 -12.296 -5.976 -1.995 605 2HG1 VAL 75 2HG1 VAL 75 -13.676 -4.908 -1.774 606 3HG1 VAL 75 3HG1 VAL 75 -12.218 -4.312 -2.567 607 1HG2 VAL 75 1HG2 VAL 75 -13.205 -4.873 -5.798 608 2HG2 VAL 75 2HG2 VAL 75 -11.733 -5.564 -5.119 609 3HG2 VAL 75 3HG2 VAL 75 -12.283 -3.976 -4.594 610 H GLY 76 H GLY 76 -11.364 -7.352 -5.491 611 1HA GLY 76 2HA GLY 76 -9.688 -8.594 -3.341 612 2HA GLY 76 1HA GLY 76 -9.453 -8.895 -5.058 613 H VAL 77 H VAL 77 -9.085 -6.576 -2.493 614 HA VAL 77 HA VAL 77 -7.999 -4.392 -4.003 615 HB VAL 77 HB VAL 77 -7.643 -5.328 -1.135 616 1HG1 VAL 77 1HG1 VAL 77 -7.198 -2.594 -2.365 617 2HG1 VAL 77 2HG1 VAL 77 -5.934 -3.667 -1.767 618 3HG1 VAL 77 3HG1 VAL 77 -7.104 -2.975 -0.645 619 1HG2 VAL 77 1HG2 VAL 77 -9.997 -4.893 -2.059 620 2HG2 VAL 77 2HG2 VAL 77 -9.512 -3.205 -2.204 621 3HG2 VAL 77 3HG2 VAL 77 -9.540 -3.981 -0.622 622 H SER 78 H SER 78 -6.600 -5.779 -5.461 623 HA SER 78 HA SER 78 -4.215 -7.030 -4.422 624 1HB SER 78 2HB SER 78 -5.462 -6.385 -6.964 625 2HB SER 78 1HB SER 78 -3.737 -6.038 -7.028 626 HG SER 78 HG SER 78 -3.309 -8.103 -6.817 627 H VAL 79 H VAL 79 -2.016 -5.962 -5.262 628 HA VAL 79 HA VAL 79 -1.697 -3.124 -5.360 629 HB VAL 79 HB VAL 79 -0.550 -3.260 -2.912 630 1HG1 VAL 79 1HG1 VAL 79 -3.084 -2.276 -3.938 631 2HG1 VAL 79 2HG1 VAL 79 -1.973 -1.534 -2.794 632 3HG1 VAL 79 3HG1 VAL 79 -3.186 -2.680 -2.227 633 1HG2 VAL 79 1HG2 VAL 79 -3.037 -4.845 -2.387 634 2HG2 VAL 79 2HG2 VAL 79 -1.576 -4.697 -1.411 635 3HG2 VAL 79 3HG2 VAL 79 -1.568 -5.697 -2.864 636 H LYS 80 H LYS 80 0.742 -2.615 -4.661 637 HA LYS 80 HA LYS 80 2.631 -4.722 -4.440 638 1HB LYS 80 2HB LYS 80 1.458 -4.313 -7.036 639 2HB LYS 80 1HB LYS 80 3.165 -3.882 -7.115 640 1HG LYS 80 2HG LYS 80 3.836 -6.038 -6.310 641 2HG LYS 80 1HG LYS 80 2.175 -6.466 -5.891 642 1HD LYS 80 2HD LYS 80 1.538 -6.367 -8.268 643 2HD LYS 80 1HD LYS 80 3.190 -5.920 -8.696 644 1HE LYS 80 2HE LYS 80 3.878 -8.116 -7.473 645 2HE LYS 80 1HE LYS 80 2.170 -8.565 -7.657 646 1HZ LYS 80 1HZ LYS 80 3.875 -7.565 -9.874 647 2HZ LYS 80 2HZ LYS 80 2.294 -8.175 -9.995 648 3HZ LYS 80 3HZ LYS 80 3.579 -9.209 -9.585 649 HA PRO 81 HA PRO 81 5.261 -1.079 -4.484 650 1HB PRO 81 2HB PRO 81 7.559 -2.456 -3.991 651 2HB PRO 81 1HB PRO 81 6.259 -2.333 -2.789 652 1HG PRO 81 2HG PRO 81 7.150 -4.667 -4.246 653 2HG PRO 81 1HG PRO 81 5.963 -4.564 -2.938 654 1HD PRO 81 2HD PRO 81 5.512 -4.619 -5.860 655 2HD PRO 81 1HD PRO 81 4.414 -5.059 -4.530 656 H GLY 82 H GLY 82 7.107 -0.178 -5.646 657 1HA GLY 82 2HA GLY 82 7.681 -1.473 -8.278 658 2HA GLY 82 1HA GLY 82 7.829 0.260 -7.967 659 H GLU 83 H GLU 83 10.105 0.273 -8.562 660 HA GLU 83 HA GLU 83 11.898 -1.348 -6.805 661 1HB GLU 83 2HB GLU 83 13.630 -0.627 -8.437 662 2HB GLU 83 1HB GLU 83 12.280 -1.448 -9.218 663 1HG GLU 83 2HG GLU 83 11.898 1.459 -8.961 664 2HG GLU 83 1HG GLU 83 13.279 1.014 -9.964 665 H SER 84 H SER 84 10.615 1.811 -7.125 666 HA SER 84 HA SER 84 12.758 3.457 -6.235 667 1HB SER 84 2HB SER 84 10.082 3.714 -6.873 668 2HB SER 84 1HB SER 84 10.082 4.048 -5.144 669 HG SER 84 HG SER 84 10.581 5.792 -6.847 670 H LEU 85 H LEU 85 10.453 1.437 -4.467 671 HA LEU 85 HA LEU 85 11.399 2.229 -1.819 672 1HB LEU 85 2HB LEU 85 9.890 -0.270 -2.615 673 2HB LEU 85 1HB LEU 85 9.831 0.577 -1.076 674 HG LEU 85 HG LEU 85 9.114 2.390 -3.191 675 1HD1 LEU 85 1HD1 LEU 85 6.829 0.885 -3.377 676 2HD1 LEU 85 2HD1 LEU 85 8.087 -0.351 -3.428 677 3HD1 LEU 85 3HD1 LEU 85 8.090 0.961 -4.606 678 1HD2 LEU 85 1HD2 LEU 85 8.158 3.029 -1.215 679 2HD2 LEU 85 2HD2 LEU 85 8.064 1.375 -0.616 680 3HD2 LEU 85 3HD2 LEU 85 6.843 1.977 -1.735 681 H LYS 86 H LYS 86 11.938 -0.474 -4.061 682 HA LYS 86 HA LYS 86 13.523 -2.033 -2.244 683 1HB LYS 86 2HB LYS 86 12.511 -2.152 -4.919 684 2HB LYS 86 1HB LYS 86 14.232 -2.534 -4.966 685 1HG LYS 86 2HG LYS 86 13.973 -4.322 -3.395 686 2HG LYS 86 1HG LYS 86 12.328 -3.826 -3.001 687 1HD LYS 86 2HD LYS 86 12.199 -4.164 -5.738 688 2HD LYS 86 1HD LYS 86 13.303 -5.450 -5.250 689 1HE LYS 86 2HE LYS 86 10.923 -5.148 -3.511 690 2HE LYS 86 1HE LYS 86 10.588 -5.705 -5.162 691 1HZ LYS 86 1HZ LYS 86 12.725 -6.823 -3.430 692 2HZ LYS 86 2HZ LYS 86 12.232 -7.405 -4.948 693 3HZ LYS 86 3HZ LYS 86 11.193 -7.528 -3.610 694 H LYS 87 H LYS 87 14.379 0.314 -4.740 695 HA LYS 87 HA LYS 87 17.216 -0.020 -4.479 696 1HB LYS 87 2HB LYS 87 16.163 1.057 -6.407 697 2HB LYS 87 1HB LYS 87 15.442 2.285 -5.367 698 1HG LYS 87 2HG LYS 87 17.574 3.253 -4.869 699 2HG LYS 87 1HG LYS 87 18.435 1.877 -5.562 700 1HD LYS 87 2HD LYS 87 16.794 2.759 -7.642 701 2HD LYS 87 1HD LYS 87 17.370 4.248 -6.891 702 1HE LYS 87 2HE LYS 87 19.539 3.885 -7.542 703 2HE LYS 87 1HE LYS 87 19.424 2.132 -7.291 704 1HZ LYS 87 1HZ LYS 87 17.966 2.015 -9.244 705 2HZ LYS 87 2HZ LYS 87 19.508 2.607 -9.645 706 3HZ LYS 87 3HZ LYS 87 18.191 3.674 -9.514 707 H ALA 88 H ALA 88 14.803 2.032 -2.917 708 HA ALA 88 HA ALA 88 16.731 3.409 -1.208 709 1HB ALA 88 1HB ALA 88 14.458 4.250 -1.888 710 2HB ALA 88 2HB ALA 88 14.684 4.229 -0.139 711 3HB ALA 88 3HB ALA 88 13.737 2.963 -0.921 712 H ALA 89 H ALA 89 14.795 0.485 -1.171 713 HA ALA 89 HA ALA 89 15.065 -0.151 1.609 714 1HB ALA 89 1HB ALA 89 14.769 -1.965 -0.800 715 2HB ALA 89 2HB ALA 89 13.432 -1.143 0.002 716 3HB ALA 89 3HB ALA 89 14.349 -2.370 0.861 717 H GLU 90 H GLU 90 17.045 -0.833 -1.249 718 HA GLU 90 HA GLU 90 18.973 -2.534 -0.009 719 1HB GLU 90 2HB GLU 90 19.936 -2.318 -2.077 720 2HB GLU 90 1HB GLU 90 18.527 -1.346 -2.488 721 1HG GLU 90 2HG GLU 90 19.751 0.688 -1.708 722 2HG GLU 90 1HG GLU 90 21.174 -0.313 -1.426 723 H GLY 91 H GLY 91 18.424 0.940 -0.024 724 1HA GLY 91 2HA GLY 91 20.885 1.634 1.368 725 2HA GLY 91 1HA GLY 91 19.493 2.691 1.142 726 H LEU 92 H LEU 92 17.766 0.418 2.415 727 HA LEU 92 HA LEU 92 17.903 1.447 5.138 728 1HB LEU 92 2HB LEU 92 15.833 0.420 5.310 729 2HB LEU 92 1HB LEU 92 15.954 0.522 3.559 730 HG LEU 92 HG LEU 92 17.183 -1.862 3.950 731 1HD1 LEU 92 1HD1 LEU 92 15.013 -2.471 5.772 732 2HD1 LEU 92 2HD1 LEU 92 16.077 -1.257 6.481 733 3HD1 LEU 92 3HD1 LEU 92 16.736 -2.804 5.952 734 1HD2 LEU 92 1HD2 LEU 92 15.483 -2.181 2.483 735 2HD2 LEU 92 2HD2 LEU 92 14.483 -0.953 3.255 736 3HD2 LEU 92 3HD2 LEU 92 14.504 -2.597 3.886 737 H LYS 93 H LYS 93 20.123 -0.450 3.858 738 HA LYS 93 HA LYS 93 21.605 -2.063 4.762 739 1HB LYS 93 2HB LYS 93 20.377 -0.692 6.978 740 2HB LYS 93 1HB LYS 93 20.486 -2.405 7.381 741 1HG LYS 93 2HG LYS 93 22.551 -1.439 8.094 742 2HG LYS 93 1HG LYS 93 22.914 -2.295 6.595 743 1HD LYS 93 2HD LYS 93 23.880 -0.307 6.013 744 2HD LYS 93 1HD LYS 93 22.223 0.131 5.596 745 1HE LYS 93 2HE LYS 93 22.866 0.514 8.452 746 2HE LYS 93 1HE LYS 93 23.786 1.557 7.349 747 1HZ LYS 93 1HZ LYS 93 20.841 1.220 7.479 748 2HZ LYS 93 2HZ LYS 93 21.630 1.984 6.182 749 3HZ LYS 93 3HZ LYS 93 21.729 2.640 7.747 750 H TYR 94 H TYR 94 19.145 -2.655 3.416 751 HA TYR 94 HA TYR 94 17.480 -4.607 4.497 752 1HB TYR 94 2HB TYR 94 16.766 -4.302 2.387 753 2HB TYR 94 1HB TYR 94 18.309 -3.589 1.926 754 HD1 TYR 94 HD1 TYR 94 19.666 -4.689 0.406 755 HD2 TYR 94 HD2 TYR 94 16.725 -6.899 2.610 756 HE1 TYR 94 HE1 TYR 94 20.245 -6.741 -0.875 757 HE2 TYR 94 HE2 TYR 94 17.298 -8.954 1.331 758 HH TYR 94 HH TYR 94 20.086 -9.145 -0.666 759 H GLU 95 H GLU 95 20.861 -4.896 3.548 760 HA GLU 95 HA GLU 95 21.083 -7.733 3.386 761 1HB GLU 95 2HB GLU 95 23.456 -7.295 3.966 762 2HB GLU 95 1HB GLU 95 22.864 -6.130 2.783 763 1HG GLU 95 2HG GLU 95 22.357 -4.576 4.731 764 2HG GLU 95 1HG GLU 95 23.242 -5.705 5.757 765 H ASP 96 H ASP 96 21.129 -5.499 6.146 766 HA ASP 96 HA ASP 96 21.608 -7.436 8.216 767 1HB ASP 96 2HB ASP 96 20.140 -4.780 8.070 768 2HB ASP 96 1HB ASP 96 20.380 -5.645 9.587 769 H PHE 97 H PHE 97 18.778 -6.271 6.478 770 HA PHE 97 HA PHE 97 16.728 -7.656 7.955 771 1HB PHE 97 2HB PHE 97 17.018 -5.963 5.715 772 2HB PHE 97 1HB PHE 97 16.275 -7.428 5.083 773 HD1 PHE 97 HD1 PHE 97 14.306 -8.404 6.577 774 HD2 PHE 97 HD2 PHE 97 15.652 -4.328 6.633 775 HE1 PHE 97 HE1 PHE 97 12.113 -7.693 7.491 776 HE2 PHE 97 HE2 PHE 97 13.461 -3.614 7.549 777 HZ PHE 97 HZ PHE 97 11.690 -5.298 7.981 778 H ALA 98 H ALA 98 18.974 -8.566 5.412 779 HA ALA 98 HA ALA 98 17.774 -11.080 4.661 780 1HB ALA 98 1HB ALA 98 19.587 -11.131 3.233 781 2HB ALA 98 2HB ALA 98 20.718 -10.651 4.498 782 3HB ALA 98 3HB ALA 98 19.711 -9.438 3.709 783 H LYS 99 H LYS 99 19.995 -10.078 7.200 784 HA LYS 99 HA LYS 99 21.127 -12.556 7.964 785 1HB LYS 99 2HB LYS 99 21.038 -9.913 8.855 786 2HB LYS 99 1HB LYS 99 20.345 -10.827 10.196 787 1HG LYS 99 2HG LYS 99 22.293 -12.284 10.273 788 2HG LYS 99 1HG LYS 99 22.969 -11.509 8.840 789 1HD LYS 99 2HD LYS 99 22.515 -9.351 10.484 790 2HD LYS 99 1HD LYS 99 22.975 -10.600 11.641 791 1HE LYS 99 2HE LYS 99 24.688 -10.618 9.260 792 2HE LYS 99 1HE LYS 99 24.756 -9.081 10.144 793 1HZ LYS 99 1HZ LYS 99 24.991 -10.375 12.212 794 2HZ LYS 99 2HZ LYS 99 26.290 -10.615 11.144 795 3HZ LYS 99 3HZ LYS 99 25.082 -11.799 11.297 796 1H MET 1 1H MET 1 -6.686 6.237 -10.721 797 2H MET 1 2H MET 1 -5.334 5.387 -10.139 798 3H MET 1 3H MET 1 -5.306 6.072 -11.694 799 HA MET 1 HA MET 1 -5.358 8.296 -10.778 800 1HB MET 1 2HB MET 1 -6.194 6.656 -8.491 801 2HB MET 1 1HB MET 1 -5.020 7.897 -8.052 802 1HG MET 1 2HG MET 1 -6.419 9.642 -8.702 803 2HG MET 1 1HG MET 1 -7.333 8.630 -9.818 804 1HE MET 1 1HE MET 1 -7.619 8.776 -5.248 805 2HE MET 1 2HE MET 1 -6.766 9.908 -6.296 806 3HE MET 1 3HE MET 1 -6.171 8.258 -6.124 807 H ASN 2 H ASN 2 -3.487 9.033 -8.950 808 HA ASN 2 HA ASN 2 -1.179 7.309 -8.786 809 1HB ASN 2 2HB ASN 2 -1.370 7.809 -11.255 810 2HB ASN 2 1HB ASN 2 -1.141 9.514 -10.871 811 1HD2 ASN 2 1HD2 ASN 2 0.538 6.762 -11.814 812 2HD2 ASN 2 2HD2 ASN 2 2.090 7.204 -11.286 813 H LYS 3 H LYS 3 0.772 8.603 -7.948 814 HA LYS 3 HA LYS 3 0.146 10.302 -5.815 815 1HB LYS 3 2HB LYS 3 2.457 9.387 -7.224 816 2HB LYS 3 1HB LYS 3 2.637 11.126 -7.001 817 1HG LYS 3 2HG LYS 3 2.991 10.897 -4.770 818 2HG LYS 3 1HG LYS 3 1.606 9.829 -4.592 819 1HD LYS 3 2HD LYS 3 3.024 8.105 -4.322 820 2HD LYS 3 1HD LYS 3 3.555 8.331 -5.983 821 1HE LYS 3 2HE LYS 3 4.738 10.062 -3.799 822 2HE LYS 3 1HE LYS 3 5.357 8.419 -4.062 823 1HZ LYS 3 1HZ LYS 3 4.884 9.911 -6.501 824 2HZ LYS 3 2HZ LYS 3 6.217 8.967 -6.046 825 3HZ LYS 3 3HZ LYS 3 6.097 10.572 -5.517 826 H THR 4 H THR 4 0.299 11.050 -9.237 827 HA THR 4 HA THR 4 0.242 13.969 -8.897 828 HB THR 4 HB THR 4 -0.184 12.025 -11.190 829 HG1 THR 4 HG1 THR 4 1.802 13.059 -11.850 830 1HG2 THR 4 1HG2 THR 4 -1.526 13.897 -11.788 831 2HG2 THR 4 2HG2 THR 4 0.011 14.147 -12.615 832 3HG2 THR 4 3HG2 THR 4 -0.352 15.041 -11.139 833 H GLU 5 H GLU 5 -2.052 11.508 -10.101 834 HA GLU 5 HA GLU 5 -4.391 13.148 -10.079 835 1HB GLU 5 2HB GLU 5 -3.654 10.478 -10.612 836 2HB GLU 5 1HB GLU 5 -4.851 10.369 -9.324 837 1HG GLU 5 2HG GLU 5 -6.547 11.121 -10.653 838 2HG GLU 5 1HG GLU 5 -5.506 12.266 -11.501 839 H LEU 6 H LEU 6 -3.062 10.880 -7.671 840 HA LEU 6 HA LEU 6 -4.888 11.490 -5.547 841 1HB LEU 6 2HB LEU 6 -2.042 10.471 -5.716 842 2HB LEU 6 1HB LEU 6 -2.888 10.610 -4.176 843 HG LEU 6 HG LEU 6 -4.489 9.279 -6.250 844 1HD1 LEU 6 1HD1 LEU 6 -2.927 7.863 -7.042 845 2HD1 LEU 6 2HD1 LEU 6 -2.747 7.223 -5.409 846 3HD1 LEU 6 3HD1 LEU 6 -1.705 8.531 -5.961 847 1HD2 LEU 6 1HD2 LEU 6 -3.885 7.690 -3.921 848 2HD2 LEU 6 2HD2 LEU 6 -5.405 8.473 -4.350 849 3HD2 LEU 6 3HD2 LEU 6 -4.196 9.351 -3.417 850 H ILE 7 H ILE 7 -2.017 13.138 -6.790 851 HA ILE 7 HA ILE 7 -1.367 14.816 -4.599 852 HB ILE 7 HB ILE 7 -0.849 14.627 -7.424 853 1HG1 ILE 7 2HG1 ILE 7 0.434 16.180 -5.173 854 2HG1 ILE 7 1HG1 ILE 7 0.893 14.581 -5.760 855 1HG2 ILE 7 1HG2 ILE 7 -1.575 17.406 -6.455 856 2HG2 ILE 7 2HG2 ILE 7 -2.222 16.558 -7.859 857 3HG2 ILE 7 3HG2 ILE 7 -0.556 17.117 -7.862 858 1HD1 ILE 7 1HD1 ILE 7 2.453 16.089 -6.761 859 2HD1 ILE 7 2HD1 ILE 7 1.184 17.237 -7.181 860 3HD1 ILE 7 3HD1 ILE 7 1.298 15.698 -8.035 861 H LYS 8 H LYS 8 -3.616 15.413 -7.289 862 HA LYS 8 HA LYS 8 -4.802 17.774 -6.191 863 1HB LYS 8 2HB LYS 8 -5.952 17.688 -8.169 864 2HB LYS 8 1HB LYS 8 -4.889 16.336 -8.548 865 1HG LYS 8 2HG LYS 8 -6.588 14.800 -7.497 866 2HG LYS 8 1HG LYS 8 -7.667 16.185 -7.342 867 1HD LYS 8 2HD LYS 8 -8.386 15.532 -9.406 868 2HD LYS 8 1HD LYS 8 -6.956 16.405 -9.960 869 1HE LYS 8 2HE LYS 8 -5.792 14.469 -10.436 870 2HE LYS 8 1HE LYS 8 -6.574 13.557 -9.128 871 1HZ LYS 8 1HZ LYS 8 -7.365 12.971 -11.414 872 2HZ LYS 8 2HZ LYS 8 -8.019 14.534 -11.530 873 3HZ LYS 8 3HZ LYS 8 -8.591 13.455 -10.348 874 H ALA 9 H ALA 9 -5.408 14.317 -5.785 875 HA ALA 9 HA ALA 9 -7.929 14.477 -4.410 876 1HB ALA 9 1HB ALA 9 -6.532 12.496 -5.376 877 2HB ALA 9 2HB ALA 9 -7.453 12.220 -3.898 878 3HB ALA 9 3HB ALA 9 -5.717 12.517 -3.814 879 H ILE 10 H ILE 10 -4.587 15.007 -3.431 880 HA ILE 10 HA ILE 10 -5.342 15.259 -0.598 881 HB ILE 10 HB ILE 10 -2.987 14.682 -2.259 882 1HG1 ILE 10 2HG1 ILE 10 -2.228 13.978 0.191 883 2HG1 ILE 10 1HG1 ILE 10 -3.947 14.192 0.524 884 1HG2 ILE 10 1HG2 ILE 10 -2.369 17.005 -1.669 885 2HG2 ILE 10 2HG2 ILE 10 -1.312 15.832 -0.889 886 3HG2 ILE 10 3HG2 ILE 10 -2.583 16.618 0.035 887 1HD1 ILE 10 1HD1 ILE 10 -3.636 12.762 -1.956 888 2HD1 ILE 10 2HD1 ILE 10 -4.422 12.231 -0.469 889 3HD1 ILE 10 3HD1 ILE 10 -2.694 11.962 -0.697 890 H ALA 11 H ALA 11 -4.320 17.023 -3.461 891 HA ALA 11 HA ALA 11 -4.008 19.629 -2.259 892 1HB ALA 11 1HB ALA 11 -5.058 19.295 -5.025 893 2HB ALA 11 2HB ALA 11 -3.531 18.495 -4.657 894 3HB ALA 11 3HB ALA 11 -3.680 20.238 -4.458 895 H GLN 12 H GLN 12 -6.754 17.731 -3.320 896 HA GLN 12 HA GLN 12 -8.621 19.993 -2.950 897 1HB GLN 12 2HB GLN 12 -9.262 18.656 -4.774 898 2HB GLN 12 1HB GLN 12 -8.682 17.178 -4.012 899 1HG GLN 12 2HG GLN 12 -10.642 16.813 -2.904 900 2HG GLN 12 1HG GLN 12 -10.931 18.533 -2.636 901 1HE2 GLN 12 1HE2 GLN 12 -12.512 19.475 -3.951 902 2HE2 GLN 12 2HE2 GLN 12 -13.098 18.799 -5.394 903 H ASP 13 H ASP 13 -7.686 16.896 -1.452 904 HA ASP 13 HA ASP 13 -9.630 17.054 0.701 905 1HB ASP 13 2HB ASP 13 -7.033 15.614 0.152 906 2HB ASP 13 1HB ASP 13 -7.778 15.508 1.746 907 H THR 14 H THR 14 -6.559 18.468 -0.076 908 HA THR 14 HA THR 14 -6.094 19.560 2.618 909 HB THR 14 HB THR 14 -4.169 20.643 1.338 910 HG1 THR 14 HG1 THR 14 -4.119 20.497 -0.703 911 1HG2 THR 14 1HG2 THR 14 -3.405 18.099 0.606 912 2HG2 THR 14 2HG2 THR 14 -4.607 17.811 1.863 913 3HG2 THR 14 3HG2 THR 14 -3.197 18.811 2.200 914 H GLY 15 H GLY 15 -5.906 21.140 -0.560 915 1HA GLY 15 2HA GLY 15 -6.805 23.195 -1.297 916 2HA GLY 15 1HA GLY 15 -8.191 22.851 -0.261 917 H LEU 16 H LEU 16 -5.246 22.813 1.431 918 HA LEU 16 HA LEU 16 -5.943 25.277 2.898 919 1HB LEU 16 2HB LEU 16 -3.534 23.434 3.113 920 2HB LEU 16 1HB LEU 16 -4.047 24.616 4.313 921 HG LEU 16 HG LEU 16 -6.328 23.160 3.999 922 1HD1 LEU 16 1HD1 LEU 16 -5.912 20.939 3.574 923 2HD1 LEU 16 2HD1 LEU 16 -4.268 21.024 4.188 924 3HD1 LEU 16 3HD1 LEU 16 -4.636 21.639 2.586 925 1HD2 LEU 16 1HD2 LEU 16 -5.029 21.778 6.006 926 2HD2 LEU 16 2HD2 LEU 16 -5.830 23.333 6.223 927 3HD2 LEU 16 3HD2 LEU 16 -4.094 23.270 5.922 928 H THR 17 H THR 17 -3.019 24.062 1.351 929 HA THR 17 HA THR 17 -2.505 26.725 0.173 930 HB THR 17 HB THR 17 -1.463 25.919 2.589 931 HG1 THR 17 HG1 THR 17 -0.283 27.597 0.630 932 1HG2 THR 17 1HG2 THR 17 0.569 25.270 0.435 933 2HG2 THR 17 2HG2 THR 17 -0.128 24.152 1.606 934 3HG2 THR 17 3HG2 THR 17 0.938 25.441 2.146 935 H GLN 18 H GLN 18 -2.760 23.453 -0.277 936 HA GLN 18 HA GLN 18 -1.899 21.964 -1.905 937 1HB GLN 18 2HB GLN 18 -0.842 24.468 -3.249 938 2HB GLN 18 1HB GLN 18 -1.406 22.985 -4.018 939 1HG GLN 18 2HG GLN 18 -3.693 23.529 -2.939 940 2HG GLN 18 1HG GLN 18 -3.037 25.150 -2.698 941 1HE2 GLN 18 1HE2 GLN 18 -1.567 25.549 -5.048 942 2HE2 GLN 18 2HE2 GLN 18 -2.603 25.496 -6.392 943 H VAL 19 H VAL 19 -0.434 22.996 0.417 944 HA VAL 19 HA VAL 19 1.927 23.568 0.939 945 HB VAL 19 HB VAL 19 1.171 21.731 2.179 946 1HG1 VAL 19 1HG1 VAL 19 0.800 20.418 -0.462 947 2HG1 VAL 19 2HG1 VAL 19 -0.263 20.453 0.942 948 3HG1 VAL 19 3HG1 VAL 19 1.131 19.375 0.921 949 1HG2 VAL 19 1HG2 VAL 19 3.122 19.933 1.024 950 2HG2 VAL 19 2HG2 VAL 19 3.124 20.737 2.595 951 3HG2 VAL 19 3HG2 VAL 19 3.744 21.574 1.175 952 H SER 20 H SER 20 2.695 20.667 -0.744 953 HA SER 20 HA SER 20 3.966 22.162 -2.944 954 1HB SER 20 2HB SER 20 5.976 20.820 -2.671 955 2HB SER 20 1HB SER 20 5.634 21.597 -1.138 956 HG SER 20 HG SER 20 4.397 19.554 -0.727 957 H VAL 21 H VAL 21 1.497 20.435 -2.414 958 HA VAL 21 HA VAL 21 1.030 18.014 -3.016 959 HB VAL 21 HB VAL 21 -0.354 18.635 -5.004 960 1HG1 VAL 21 1HG1 VAL 21 -1.782 20.154 -3.810 961 2HG1 VAL 21 2HG1 VAL 21 -0.430 20.752 -2.849 962 3HG1 VAL 21 3HG1 VAL 21 -1.021 19.108 -2.612 963 1HG2 VAL 21 1HG2 VAL 21 1.108 20.175 -6.143 964 2HG2 VAL 21 2HG2 VAL 21 1.200 21.219 -4.725 965 3HG2 VAL 21 3HG2 VAL 21 -0.308 21.090 -5.629 966 H SER 22 H SER 22 2.889 19.975 -5.188 967 HA SER 22 HA SER 22 3.560 17.868 -7.098 968 1HB SER 22 2HB SER 22 5.373 19.579 -7.681 969 2HB SER 22 1HB SER 22 3.721 20.185 -7.743 970 HG SER 22 HG SER 22 5.034 21.607 -6.578 971 H LYS 23 H LYS 23 5.253 19.326 -4.310 972 HA LYS 23 HA LYS 23 7.315 17.212 -4.435 973 1HB LYS 23 2HB LYS 23 7.083 19.383 -2.355 974 2HB LYS 23 1HB LYS 23 8.533 18.592 -2.954 975 1HG LYS 23 2HG LYS 23 8.082 19.641 -5.207 976 2HG LYS 23 1HG LYS 23 6.799 20.581 -4.441 977 1HD LYS 23 2HD LYS 23 9.690 20.577 -3.526 978 2HD LYS 23 1HD LYS 23 8.978 21.812 -4.566 979 1HE LYS 23 2HE LYS 23 7.335 22.368 -2.808 980 2HE LYS 23 1HE LYS 23 8.036 21.120 -1.759 981 1HZ LYS 23 1HZ LYS 23 9.031 23.275 -1.296 982 2HZ LYS 23 2HZ LYS 23 9.497 23.433 -2.922 983 3HZ LYS 23 3HZ LYS 23 10.185 22.221 -1.952 984 H MET 24 H MET 24 4.354 18.017 -2.620 985 HA MET 24 HA MET 24 4.897 16.454 -0.316 986 1HB MET 24 2HB MET 24 3.155 18.175 -0.614 987 2HB MET 24 1HB MET 24 2.369 17.178 -1.822 988 1HG MET 24 2HG MET 24 2.934 16.079 0.888 989 2HG MET 24 1HG MET 24 1.546 17.133 0.644 990 1HE MET 24 1HE MET 24 0.077 15.242 -2.569 991 2HE MET 24 2HE MET 24 1.720 15.856 -2.716 992 3HE MET 24 3HE MET 24 0.493 16.822 -1.896 993 H LEU 25 H LEU 25 4.067 15.716 -3.656 994 HA LEU 25 HA LEU 25 3.450 12.896 -2.988 995 1HB LEU 25 2HB LEU 25 2.377 12.960 -4.990 996 2HB LEU 25 1HB LEU 25 2.626 14.697 -4.920 997 HG LEU 25 HG LEU 25 4.721 14.455 -6.199 998 1HD1 LEU 25 1HD1 LEU 25 4.344 11.665 -5.526 999 2HD1 LEU 25 2HD1 LEU 25 5.752 12.442 -6.245 1000 3HD1 LEU 25 3HD1 LEU 25 4.452 11.846 -7.274 1001 1HD2 LEU 25 1HD2 LEU 25 2.053 13.801 -7.155 1002 2HD2 LEU 25 2HD2 LEU 25 3.286 13.044 -8.160 1003 3HD2 LEU 25 3HD2 LEU 25 3.296 14.790 -7.919 1004 H ALA 26 H ALA 26 5.881 14.848 -4.746 1005 HA ALA 26 HA ALA 26 7.674 12.726 -5.418 1006 1HB ALA 26 1HB ALA 26 8.529 15.500 -4.575 1007 2HB ALA 26 2HB ALA 26 7.591 15.267 -6.051 1008 3HB ALA 26 3HB ALA 26 9.173 14.505 -5.881 1009 H SER 27 H SER 27 6.991 14.465 -2.468 1010 HA SER 27 HA SER 27 9.314 13.335 -1.027 1011 1HB SER 27 2HB SER 27 8.612 14.779 0.722 1012 2HB SER 27 1HB SER 27 8.200 15.670 -0.737 1013 HG SER 27 HG SER 27 6.084 14.524 -0.484 1014 H PHE 28 H PHE 28 5.856 12.854 -1.455 1015 HA PHE 28 HA PHE 28 5.321 11.034 0.674 1016 1HB PHE 28 2HB PHE 28 3.540 11.958 -0.591 1017 2HB PHE 28 1HB PHE 28 4.279 11.504 -2.118 1018 HD1 PHE 28 HD1 PHE 28 4.645 8.813 -2.384 1019 HD2 PHE 28 HD2 PHE 28 1.773 10.705 0.172 1020 HE1 PHE 28 HE1 PHE 28 3.238 6.805 -2.487 1021 HE2 PHE 28 HE2 PHE 28 0.373 8.688 0.091 1022 HZ PHE 28 HZ PHE 28 1.099 6.720 -1.223 1023 H GLU 29 H GLU 29 6.640 10.488 -2.630 1024 HA GLU 29 HA GLU 29 6.902 7.617 -2.244 1025 1HB GLU 29 2HB GLU 29 7.080 9.294 -4.377 1026 2HB GLU 29 1HB GLU 29 8.786 9.079 -4.017 1027 1HG GLU 29 2HG GLU 29 8.101 6.547 -3.786 1028 2HG GLU 29 1HG GLU 29 6.764 7.032 -4.828 1029 H LYS 30 H LYS 30 8.963 10.452 -1.975 1030 HA LYS 30 HA LYS 30 11.360 9.133 -1.195 1031 1HB LYS 30 2HB LYS 30 11.113 11.521 -1.898 1032 2HB LYS 30 1HB LYS 30 10.282 11.849 -0.375 1033 1HG LYS 30 2HG LYS 30 12.200 11.553 0.900 1034 2HG LYS 30 1HG LYS 30 12.960 10.509 -0.302 1035 1HD LYS 30 2HD LYS 30 14.129 12.599 -0.403 1036 2HD LYS 30 1HD LYS 30 13.080 12.552 -1.820 1037 1HE LYS 30 2HE LYS 30 11.589 14.131 -0.934 1038 2HE LYS 30 1HE LYS 30 12.084 13.800 0.738 1039 1HZ LYS 30 1HZ LYS 30 14.228 14.740 0.305 1040 2HZ LYS 30 2HZ LYS 30 13.056 15.873 -0.173 1041 3HZ LYS 30 3HZ LYS 30 13.871 14.947 -1.340 1042 H ILE 31 H ILE 31 8.344 9.736 0.494 1043 HA ILE 31 HA ILE 31 9.660 9.080 3.056 1044 HB ILE 31 HB ILE 31 7.627 9.914 4.036 1045 1HG1 ILE 31 2HG1 ILE 31 6.306 11.158 1.932 1046 2HG1 ILE 31 1HG1 ILE 31 6.557 9.488 1.447 1047 1HG2 ILE 31 1HG2 ILE 31 8.675 11.881 3.935 1048 2HG2 ILE 31 2HG2 ILE 31 7.865 12.190 2.401 1049 3HG2 ILE 31 3HG2 ILE 31 9.445 11.407 2.422 1050 1HD1 ILE 31 1HD1 ILE 31 4.443 9.762 2.723 1051 2HD1 ILE 31 2HD1 ILE 31 5.381 10.352 4.095 1052 3HD1 ILE 31 3HD1 ILE 31 5.579 8.689 3.542 1053 H ILE 32 H ILE 32 7.239 7.979 0.818 1054 HA ILE 32 HA ILE 32 6.345 5.711 2.410 1055 HB ILE 32 HB ILE 32 6.274 6.312 -0.566 1056 1HG1 ILE 32 2HG1 ILE 32 4.947 7.545 1.605 1057 2HG1 ILE 32 1HG1 ILE 32 4.547 7.702 -0.095 1058 1HG2 ILE 32 1HG2 ILE 32 4.442 4.613 -0.601 1059 2HG2 ILE 32 2HG2 ILE 32 4.758 4.261 1.098 1060 3HG2 ILE 32 3HG2 ILE 32 5.986 3.913 -0.117 1061 1HD1 ILE 32 1HD1 ILE 32 3.473 5.542 1.727 1062 2HD1 ILE 32 2HD1 ILE 32 3.021 5.806 0.042 1063 3HD1 ILE 32 3HD1 ILE 32 2.596 7.002 1.267 1064 H THR 33 H THR 33 8.625 6.297 -0.212 1065 HA THR 33 HA THR 33 9.616 3.582 -0.113 1066 HB THR 33 HB THR 33 9.775 5.884 -1.810 1067 HG1 THR 33 HG1 THR 33 10.497 4.310 -3.257 1068 1HG2 THR 33 1HG2 THR 33 12.438 4.759 -0.952 1069 2HG2 THR 33 2HG2 THR 33 11.924 6.444 -0.908 1070 3HG2 THR 33 3HG2 THR 33 12.198 5.646 -2.457 1071 H GLU 34 H GLU 34 10.266 6.676 1.443 1072 HA GLU 34 HA GLU 34 12.907 6.120 2.429 1073 1HB GLU 34 2HB GLU 34 12.598 8.134 3.526 1074 2HB GLU 34 1HB GLU 34 11.290 8.246 2.375 1075 1HG GLU 34 2HG GLU 34 10.235 8.815 4.355 1076 2HG GLU 34 1HG GLU 34 9.864 7.107 4.211 1077 H THR 35 H THR 35 9.641 5.484 3.853 1078 HA THR 35 HA THR 35 10.709 4.372 6.300 1079 HB THR 35 HB THR 35 8.076 3.959 4.850 1080 HG1 THR 35 HG1 THR 35 8.941 5.636 6.961 1081 1HG2 THR 35 1HG2 THR 35 7.983 3.533 7.699 1082 2HG2 THR 35 2HG2 THR 35 9.222 2.496 6.997 1083 3HG2 THR 35 3HG2 THR 35 7.567 2.408 6.407 1084 H VAL 36 H VAL 36 9.284 2.769 3.420 1085 HA VAL 36 HA VAL 36 9.925 0.114 4.155 1086 HB VAL 36 HB VAL 36 10.094 -0.208 1.644 1087 1HG1 VAL 36 1HG1 VAL 36 7.903 -0.150 2.777 1088 2HG1 VAL 36 2HG1 VAL 36 7.806 0.558 1.166 1089 3HG1 VAL 36 3HG1 VAL 36 7.861 1.601 2.587 1090 1HG2 VAL 36 1HG2 VAL 36 9.723 1.798 0.243 1091 2HG2 VAL 36 2HG2 VAL 36 11.265 1.835 1.093 1092 3HG2 VAL 36 3HG2 VAL 36 9.911 2.797 1.678 1093 H ALA 37 H ALA 37 11.952 2.674 2.875 1094 HA ALA 37 HA ALA 37 14.341 0.935 2.806 1095 1HB ALA 37 1HB ALA 37 13.795 3.807 2.067 1096 2HB ALA 37 2HB ALA 37 13.966 2.440 0.970 1097 3HB ALA 37 3HB ALA 37 15.360 3.026 1.877 1098 H LYS 38 H LYS 38 12.722 2.609 5.161 1099 HA LYS 38 HA LYS 38 15.217 3.419 6.592 1100 1HB LYS 38 2HB LYS 38 13.076 4.930 6.232 1101 2HB LYS 38 1HB LYS 38 12.398 3.946 7.523 1102 1HG LYS 38 2HG LYS 38 13.409 5.927 8.501 1103 2HG LYS 38 1HG LYS 38 14.383 4.523 8.933 1104 1HD LYS 38 2HD LYS 38 15.766 6.468 8.187 1105 2HD LYS 38 1HD LYS 38 15.994 5.042 7.176 1106 1HE LYS 38 2HE LYS 38 14.620 5.950 5.424 1107 2HE LYS 38 1HE LYS 38 14.036 7.256 6.475 1108 1HZ LYS 38 1HZ LYS 38 16.890 6.819 5.772 1109 2HZ LYS 38 2HZ LYS 38 16.247 8.121 6.654 1110 3HZ LYS 38 3HZ LYS 38 15.887 7.949 5.004 1111 H GLY 39 H GLY 39 12.756 1.106 6.292 1112 1HA GLY 39 2HA GLY 39 12.970 -1.043 7.293 1113 2HA GLY 39 1HA GLY 39 13.808 -0.295 8.650 1114 H ASP 40 H ASP 40 10.638 0.407 7.084 1115 HA ASP 40 HA ASP 40 9.331 -0.369 9.650 1116 1HB ASP 40 2HB ASP 40 9.932 2.349 8.777 1117 2HB ASP 40 1HB ASP 40 8.207 2.120 9.064 1118 H LYS 41 H LYS 41 7.237 -1.055 9.353 1119 HA LYS 41 HA LYS 41 6.282 -1.330 6.572 1120 1HB LYS 41 2HB LYS 41 5.196 -2.351 9.222 1121 2HB LYS 41 1HB LYS 41 4.718 -2.912 7.620 1122 1HG LYS 41 2HG LYS 41 6.308 -4.508 7.978 1123 2HG LYS 41 1HG LYS 41 7.421 -3.235 7.475 1124 1HD LYS 41 2HD LYS 41 8.184 -2.868 9.607 1125 2HD LYS 41 1HD LYS 41 6.622 -3.238 10.340 1126 1HE LYS 41 2HE LYS 41 7.087 -5.689 9.596 1127 2HE LYS 41 1HE LYS 41 8.772 -5.155 9.436 1128 1HZ LYS 41 1HZ LYS 41 8.328 -5.929 11.688 1129 2HZ LYS 41 2HZ LYS 41 7.064 -4.806 11.845 1130 3HZ LYS 41 3HZ LYS 41 8.667 -4.268 11.685 1131 H VAL 42 H VAL 42 5.561 0.815 6.117 1132 HA VAL 42 HA VAL 42 3.976 2.457 7.816 1133 HB VAL 42 HB VAL 42 3.323 3.526 5.635 1134 1HG1 VAL 42 1HG1 VAL 42 5.813 3.385 6.861 1135 2HG1 VAL 42 2HG1 VAL 42 5.330 4.555 5.633 1136 3HG1 VAL 42 3HG1 VAL 42 6.170 3.078 5.162 1137 1HG2 VAL 42 1HG2 VAL 42 5.065 2.062 3.912 1138 2HG2 VAL 42 2HG2 VAL 42 3.322 2.278 3.763 1139 3HG2 VAL 42 3HG2 VAL 42 3.965 0.908 4.667 1140 H GLN 43 H GLN 43 1.784 2.486 8.268 1141 HA GLN 43 HA GLN 43 0.117 0.353 6.972 1142 1HB GLN 43 2HB GLN 43 -0.331 1.578 9.698 1143 2HB GLN 43 1HB GLN 43 -0.904 0.026 9.092 1144 1HG GLN 43 2HG GLN 43 1.813 -0.257 8.833 1145 2HG GLN 43 1HG GLN 43 1.696 0.732 10.289 1146 1HE2 GLN 43 1HE2 GLN 43 -0.422 -0.174 11.682 1147 2HE2 GLN 43 2HE2 GLN 43 -0.335 -1.843 11.979 1148 H LEU 44 H LEU 44 -2.318 0.953 7.194 1149 HA LEU 44 HA LEU 44 -2.761 3.892 6.926 1150 1HB LEU 44 2HB LEU 44 -3.754 1.802 4.976 1151 2HB LEU 44 1HB LEU 44 -3.946 3.543 4.858 1152 HG LEU 44 HG LEU 44 -1.237 2.203 4.908 1153 1HD1 LEU 44 1HD1 LEU 44 -2.490 3.317 2.417 1154 2HD1 LEU 44 2HD1 LEU 44 -2.916 1.688 2.933 1155 3HD1 LEU 44 3HD1 LEU 44 -1.237 2.086 2.580 1156 1HD2 LEU 44 1HD2 LEU 44 -0.525 4.334 5.055 1157 2HD2 LEU 44 2HD2 LEU 44 -2.188 4.920 5.007 1158 3HD2 LEU 44 3HD2 LEU 44 -1.296 4.669 3.505 1159 H THR 45 H THR 45 -5.290 4.127 6.473 1160 HA THR 45 HA THR 45 -6.738 3.526 8.792 1161 HB THR 45 HB THR 45 -7.443 5.195 7.203 1162 HG1 THR 45 HG1 THR 45 -9.613 4.507 6.846 1163 1HG2 THR 45 1HG2 THR 45 -6.543 4.161 5.166 1164 2HG2 THR 45 2HG2 THR 45 -8.234 4.571 4.925 1165 3HG2 THR 45 3HG2 THR 45 -7.766 2.903 5.238 1166 H GLY 46 H GLY 46 -5.894 1.107 8.889 1167 1HA GLY 46 2HA GLY 46 -6.291 -1.206 8.627 1168 2HA GLY 46 1HA GLY 46 -7.958 -0.706 8.900 1169 H PHE 47 H PHE 47 -6.160 0.302 6.049 1170 HA PHE 47 HA PHE 47 -7.847 -1.542 4.402 1171 1HB PHE 47 2HB PHE 47 -8.597 0.235 3.204 1172 2HB PHE 47 1HB PHE 47 -8.139 1.147 4.634 1173 HD1 PHE 47 HD1 PHE 47 -6.076 2.458 4.684 1174 HD2 PHE 47 HD2 PHE 47 -7.200 0.260 1.189 1175 HE1 PHE 47 HE1 PHE 47 -4.464 3.740 3.337 1176 HE2 PHE 47 HE2 PHE 47 -5.575 1.539 -0.138 1177 HZ PHE 47 HZ PHE 47 -4.216 3.287 0.975 1178 H LEU 48 H LEU 48 -4.701 -0.065 4.838 1179 HA LEU 48 HA LEU 48 -3.561 -2.177 3.230 1180 1HB LEU 48 2HB LEU 48 -4.395 -0.985 1.419 1181 2HB LEU 48 1HB LEU 48 -4.134 0.564 2.207 1182 HG LEU 48 HG LEU 48 -1.724 0.277 1.982 1183 1HD1 LEU 48 1HD1 LEU 48 -0.775 -1.699 1.319 1184 2HD1 LEU 48 2HD1 LEU 48 -1.987 -1.958 0.064 1185 3HD1 LEU 48 3HD1 LEU 48 -2.338 -2.400 1.732 1186 1HD2 LEU 48 1HD2 LEU 48 -3.137 1.371 0.225 1187 2HD2 LEU 48 2HD2 LEU 48 -3.209 -0.174 -0.623 1188 3HD2 LEU 48 3HD2 LEU 48 -1.664 0.655 -0.427 1189 H ASN 49 H ASN 49 -1.292 -2.251 3.414 1190 HA ASN 49 HA ASN 49 0.113 -0.078 4.839 1191 1HB ASN 49 2HB ASN 49 0.234 -2.955 5.782 1192 2HB ASN 49 1HB ASN 49 0.777 -1.513 6.632 1193 1HD2 ASN 49 1HD2 ASN 49 -1.747 -3.737 6.508 1194 2HD2 ASN 49 2HD2 ASN 49 -2.955 -2.804 7.249 1195 H ILE 50 H ILE 50 2.513 -1.024 5.056 1196 HA ILE 50 HA ILE 50 3.233 -2.658 2.686 1197 HB ILE 50 HB ILE 50 3.368 0.175 2.920 1198 1HG1 ILE 50 2HG1 ILE 50 4.848 -1.289 0.786 1199 2HG1 ILE 50 1HG1 ILE 50 3.114 -1.578 0.942 1200 1HG2 ILE 50 1HG2 ILE 50 6.107 -1.108 2.705 1201 2HG2 ILE 50 2HG2 ILE 50 5.537 -0.162 4.079 1202 3HG2 ILE 50 3HG2 ILE 50 5.743 0.606 2.506 1203 1HD1 ILE 50 1HD1 ILE 50 2.565 0.521 0.285 1204 2HD1 ILE 50 2HD1 ILE 50 4.161 0.486 -0.464 1205 3HD1 ILE 50 3HD1 ILE 50 3.942 1.247 1.112 1206 H LYS 51 H LYS 51 5.630 -3.276 2.764 1207 HA LYS 51 HA LYS 51 7.071 -2.909 5.267 1208 1HB LYS 51 2HB LYS 51 6.810 -5.238 6.078 1209 2HB LYS 51 1HB LYS 51 5.256 -4.408 6.007 1210 1HG LYS 51 2HG LYS 51 4.586 -6.257 4.858 1211 2HG LYS 51 1HG LYS 51 5.385 -5.475 3.495 1212 1HD LYS 51 2HD LYS 51 6.189 -7.767 3.664 1213 2HD LYS 51 1HD LYS 51 7.497 -6.673 4.107 1214 1HE LYS 51 2HE LYS 51 7.660 -8.068 5.926 1215 2HE LYS 51 1HE LYS 51 6.337 -7.061 6.546 1216 1HZ LYS 51 1HZ LYS 51 4.786 -8.577 5.353 1217 2HZ LYS 51 2HZ LYS 51 5.616 -9.318 6.636 1218 3HZ LYS 51 3HZ LYS 51 6.097 -9.604 5.033 1219 HA PRO 52 HA PRO 52 10.000 -4.436 2.253 1220 1HB PRO 52 2HB PRO 52 12.234 -3.526 3.498 1221 2HB PRO 52 1HB PRO 52 11.129 -2.444 2.630 1222 1HG PRO 52 2HG PRO 52 11.539 -2.782 5.512 1223 2HG PRO 52 1HG PRO 52 10.895 -1.406 4.617 1224 1HD PRO 52 2HD PRO 52 9.438 -3.379 6.069 1225 2HD PRO 52 1HD PRO 52 8.788 -2.033 5.107 1226 H VAL 53 H VAL 53 11.253 -6.297 2.134 1227 HA VAL 53 HA VAL 53 11.950 -7.627 4.690 1228 HB VAL 53 HB VAL 53 11.248 -9.741 3.691 1229 1HG1 VAL 53 1HG1 VAL 53 8.839 -9.276 3.504 1230 2HG1 VAL 53 2HG1 VAL 53 9.178 -7.560 3.273 1231 3HG1 VAL 53 3HG1 VAL 53 9.543 -8.331 4.817 1232 1HG2 VAL 53 1HG2 VAL 53 11.851 -8.773 1.306 1233 2HG2 VAL 53 2HG2 VAL 53 10.162 -8.271 1.314 1234 3HG2 VAL 53 3HG2 VAL 53 10.574 -9.975 1.471 1235 H ALA 54 H ALA 54 13.158 -9.839 3.262 1236 HA ALA 54 HA ALA 54 15.484 -8.469 1.968 1237 1HB ALA 54 1HB ALA 54 15.536 -9.230 4.531 1238 2HB ALA 54 2HB ALA 54 16.957 -9.389 3.500 1239 3HB ALA 54 3HB ALA 54 15.928 -10.789 3.804 1240 H ARG 55 H ARG 55 15.632 -9.314 -0.052 1241 HA ARG 55 HA ARG 55 15.560 -12.264 -0.403 1242 1HB ARG 55 2HB ARG 55 13.603 -10.243 -1.406 1243 2HB ARG 55 1HB ARG 55 14.051 -11.543 -2.511 1244 1HG ARG 55 2HG ARG 55 12.757 -13.005 -1.394 1245 2HG ARG 55 1HG ARG 55 13.582 -12.633 0.120 1246 1HD ARG 55 2HD ARG 55 11.552 -11.787 0.758 1247 2HD ARG 55 1HD ARG 55 12.003 -10.392 -0.243 1248 HE ARG 55 HE ARG 55 10.981 -11.992 -2.144 1249 1HH1 ARG 55 1HH1 ARG 55 9.890 -12.944 0.804 1250 2HH1 ARG 55 2HH1 ARG 55 8.228 -12.519 0.562 1251 1HH2 ARG 55 1HH2 ARG 55 8.829 -10.755 -2.362 1252 2HH2 ARG 55 2HH2 ARG 55 7.628 -11.280 -1.230 1253 H GLN 56 H GLN 56 17.795 -12.101 -0.944 1254 HA GLN 56 HA GLN 56 19.127 -10.264 -2.548 1255 1HB GLN 56 2HB GLN 56 20.566 -12.280 -3.154 1256 2HB GLN 56 1HB GLN 56 20.307 -12.007 -1.432 1257 1HG GLN 56 2HG GLN 56 18.179 -13.648 -2.530 1258 2HG GLN 56 1HG GLN 56 19.752 -14.369 -2.867 1259 1HE2 GLN 56 1HE2 GLN 56 17.348 -14.265 -0.535 1260 2HE2 GLN 56 2HE2 GLN 56 18.272 -14.693 0.823 1261 H ALA 57 H ALA 57 19.178 -9.762 -4.685 1262 HA ALA 57 HA ALA 57 17.226 -10.892 -6.521 1263 1HB ALA 57 1HB ALA 57 19.001 -9.394 -8.001 1264 2HB ALA 57 2HB ALA 57 19.244 -8.738 -6.381 1265 3HB ALA 57 3HB ALA 57 17.641 -8.707 -7.114 1266 H ARG 58 H ARG 58 18.293 -13.100 -5.963 1267 HA ARG 58 HA ARG 58 20.241 -13.651 -8.149 1268 1HB ARG 58 2HB ARG 58 20.326 -14.585 -5.282 1269 2HB ARG 58 1HB ARG 58 21.523 -14.918 -6.514 1270 1HG ARG 58 2HG ARG 58 21.730 -12.395 -6.750 1271 2HG ARG 58 1HG ARG 58 20.874 -12.303 -5.222 1272 1HD ARG 58 2HD ARG 58 23.490 -13.780 -5.704 1273 2HD ARG 58 1HD ARG 58 23.285 -12.294 -4.757 1274 HE ARG 58 HE ARG 58 21.485 -13.961 -3.565 1275 1HH1 ARG 58 1HH2 ARG 58 23.756 -15.786 -4.959 1276 2HH1 ARG 58 2HH2 ARG 58 24.584 -16.279 -3.519 1277 1HH2 ARG 58 1HH1 ARG 58 22.983 -13.964 -1.492 1278 2HH2 ARG 58 2HH1 ARG 58 24.145 -15.247 -1.555 1279 H LYS 59 H LYS 59 19.436 -15.247 -9.395 1280 HA LYS 59 HA LYS 59 18.070 -17.580 -8.217 1281 1HB LYS 59 2HB LYS 59 16.615 -15.368 -8.663 1282 2HB LYS 59 1HB LYS 59 16.550 -16.069 -10.279 1283 1HG LYS 59 2HG LYS 59 15.920 -18.276 -9.035 1284 2HG LYS 59 1HG LYS 59 15.526 -17.211 -7.686 1285 1HD LYS 59 2HD LYS 59 14.385 -16.997 -10.490 1286 2HD LYS 59 1HD LYS 59 13.535 -17.635 -9.083 1287 1HE LYS 59 2HE LYS 59 13.018 -15.548 -8.344 1288 2HE LYS 59 1HE LYS 59 14.684 -14.981 -8.576 1289 1HZ LYS 59 1HZ LYS 59 12.673 -15.380 -10.730 1290 2HZ LYS 59 2HZ LYS 59 14.277 -14.870 -10.959 1291 3HZ LYS 59 3HZ LYS 59 13.180 -13.880 -10.122 1292 H GLY 60 H GLY 60 20.351 -16.655 -10.179 1293 1HA GLY 60 2HA GLY 60 21.376 -18.018 -11.851 1294 2HA GLY 60 1HA GLY 60 19.826 -18.792 -12.145 1295 H PHE 61 H PHE 61 21.289 -15.491 -12.428 1296 HA PHE 61 HA PHE 61 19.376 -14.765 -14.452 1297 1HB PHE 61 2HB PHE 61 20.154 -12.673 -13.988 1298 2HB PHE 61 1HB PHE 61 21.184 -13.452 -12.786 1299 HD1 PHE 61 HD1 PHE 61 23.515 -13.220 -12.995 1300 HD2 PHE 61 HD2 PHE 61 21.073 -12.816 -16.509 1301 HE1 PHE 61 HE1 PHE 61 25.527 -12.689 -14.330 1302 HE2 PHE 61 HE2 PHE 61 23.082 -12.296 -17.831 1303 HZ PHE 61 HZ PHE 61 25.313 -12.228 -16.753 1304 H ASN 62 H ASN 62 19.408 -14.954 -16.585 1305 HA ASN 62 HA ASN 62 21.997 -15.512 -17.910 1306 1HB ASN 62 2HB ASN 62 21.034 -17.391 -19.073 1307 2HB ASN 62 1HB ASN 62 20.715 -17.586 -17.351 1308 1HD2 ASN 62 1HD2 ASN 62 18.492 -17.135 -16.584 1309 2HD2 ASN 62 2HD2 ASN 62 17.188 -17.152 -17.672 1310 HA PRO 63 HA PRO 63 18.954 -13.551 -21.044 1311 1HB PRO 63 2HB PRO 63 17.250 -11.665 -20.042 1312 2HB PRO 63 1HB PRO 63 16.796 -13.367 -20.246 1313 1HG PRO 63 2HG PRO 63 17.548 -11.892 -17.793 1314 2HG PRO 63 1HG PRO 63 16.399 -13.220 -18.009 1315 1HD PRO 63 2HD PRO 63 18.944 -13.471 -16.973 1316 2HD PRO 63 1HD PRO 63 17.991 -14.801 -17.668 1317 H GLN 64 H GLN 64 20.723 -12.240 -18.468 1318 HA GLN 64 HA GLN 64 21.021 -9.550 -19.628 1319 1HB GLN 64 2HB GLN 64 21.165 -10.755 -17.100 1320 2HB GLN 64 1HB GLN 64 22.822 -10.288 -17.464 1321 1HG GLN 64 2HG GLN 64 22.345 -8.043 -17.472 1322 2HG GLN 64 1HG GLN 64 20.710 -8.290 -18.085 1323 1HE2 GLN 64 1HE2 GLN 64 19.060 -8.092 -16.562 1324 2HE2 GLN 64 2HE2 GLN 64 19.277 -8.175 -14.880 1325 H THR 65 H THR 65 23.954 -10.854 -18.344 1326 HA THR 65 HA THR 65 25.263 -10.642 -20.957 1327 HB THR 65 HB THR 65 26.951 -11.755 -18.936 1328 HG1 THR 65 HG1 THR 65 25.408 -9.567 -18.013 1329 1HG2 THR 65 1HG2 THR 65 27.779 -9.297 -18.957 1330 2HG2 THR 65 2HG2 THR 65 26.563 -9.057 -20.211 1331 3HG2 THR 65 3HG2 THR 65 27.868 -10.218 -20.458 1332 H GLN 66 H GLN 66 23.305 -12.952 -19.922 1333 HA GLN 66 HA GLN 66 22.978 -15.174 -20.548 1334 1HB GLN 66 2HB GLN 66 24.772 -14.048 -22.416 1335 2HB GLN 66 1HB GLN 66 25.446 -15.623 -21.995 1336 1HG GLN 66 2HG GLN 66 23.988 -16.285 -23.655 1337 2HG GLN 66 1HG GLN 66 22.893 -16.366 -22.274 1338 1HE2 GLN 66 1HE2 GLN 66 22.124 -13.794 -21.803 1339 2HE2 GLN 66 2HE2 GLN 66 21.421 -13.091 -23.178 1340 H GLU 67 H GLU 67 23.115 -16.429 -18.860 1341 HA GLU 67 HA GLU 67 24.679 -18.410 -18.102 1342 1HB GLU 67 2HB GLU 67 26.502 -17.545 -16.636 1343 2HB GLU 67 1HB GLU 67 26.709 -17.012 -18.298 1344 1HG GLU 67 2HG GLU 67 25.221 -14.957 -17.353 1345 2HG GLU 67 1HG GLU 67 26.036 -15.435 -15.867 1346 H ALA 68 H ALA 68 22.529 -18.696 -17.109 1347 HA ALA 68 HA ALA 68 21.343 -17.011 -15.171 1348 1HB ALA 68 1HB ALA 68 21.169 -19.817 -16.032 1349 2HB ALA 68 2HB ALA 68 19.898 -18.616 -15.803 1350 3HB ALA 68 3HB ALA 68 20.548 -19.487 -14.415 1351 H LEU 69 H LEU 69 22.624 -16.212 -13.522 1352 HA LEU 69 HA LEU 69 23.653 -18.236 -11.549 1353 1HB LEU 69 2HB LEU 69 25.030 -15.597 -11.809 1354 2HB LEU 69 1HB LEU 69 25.705 -17.175 -11.410 1355 HG LEU 69 HG LEU 69 24.780 -16.309 -14.151 1356 1HD1 LEU 69 1HD1 LEU 69 26.759 -15.180 -13.997 1357 2HD1 LEU 69 2HD1 LEU 69 27.398 -16.761 -14.445 1358 3HD1 LEU 69 3HD1 LEU 69 27.397 -16.256 -12.755 1359 1HD2 LEU 69 1HD2 LEU 69 26.523 -18.618 -14.047 1360 2HD2 LEU 69 2HD2 LEU 69 24.915 -18.481 -14.754 1361 3HD2 LEU 69 3HD2 LEU 69 25.095 -18.888 -13.050 1362 H GLU 70 H GLU 70 23.366 -17.614 -9.355 1363 HA GLU 70 HA GLU 70 21.246 -15.655 -8.809 1364 1HB GLU 70 2HB GLU 70 22.862 -17.768 -7.433 1365 2HB GLU 70 1HB GLU 70 22.159 -16.525 -6.403 1366 1HG GLU 70 2HG GLU 70 20.031 -17.265 -6.747 1367 2HG GLU 70 1HG GLU 70 20.330 -17.625 -8.447 1368 H ILE 71 H ILE 71 21.993 -13.449 -8.901 1369 HA ILE 71 HA ILE 71 24.209 -12.709 -7.107 1370 HB ILE 71 HB ILE 71 25.081 -11.447 -9.249 1371 1HG1 ILE 71 2HG1 ILE 71 24.832 -12.782 -11.282 1372 2HG1 ILE 71 1HG1 ILE 71 23.841 -13.954 -10.420 1373 1HG2 ILE 71 1HG2 ILE 71 26.772 -13.079 -9.336 1374 2HG2 ILE 71 2HG2 ILE 71 25.630 -14.394 -9.048 1375 3HG2 ILE 71 3HG2 ILE 71 26.080 -13.311 -7.731 1376 1HD1 ILE 71 1HD1 ILE 71 23.108 -11.034 -10.825 1377 2HD1 ILE 71 2HD1 ILE 71 22.100 -12.258 -10.057 1378 3HD1 ILE 71 3HD1 ILE 71 22.464 -12.372 -11.772 1379 H ALA 72 H ALA 72 23.532 -10.999 -6.032 1380 HA ALA 72 HA ALA 72 23.182 -8.459 -6.549 1381 1HB ALA 72 1HB ALA 72 20.755 -8.190 -7.312 1382 2HB ALA 72 2HB ALA 72 20.843 -9.891 -7.745 1383 3HB ALA 72 3HB ALA 72 21.924 -8.732 -8.511 1384 HA PRO 73 HA PRO 73 21.144 -8.805 -2.596 1385 1HB PRO 73 2HB PRO 73 21.787 -6.277 -1.780 1386 2HB PRO 73 1HB PRO 73 22.977 -7.589 -1.841 1387 1HG PRO 73 2HG PRO 73 22.725 -5.235 -3.544 1388 2HG PRO 73 1HG PRO 73 24.097 -6.327 -3.330 1389 1HD PRO 73 2HD PRO 73 22.146 -6.286 -5.469 1390 2HD PRO 73 1HD PRO 73 23.609 -7.280 -5.316 1391 H SER 74 H SER 74 18.920 -8.464 -2.240 1392 HA SER 74 HA SER 74 17.723 -5.855 -2.969 1393 1HB SER 74 2HB SER 74 17.775 -7.852 -4.815 1394 2HB SER 74 1HB SER 74 16.259 -8.219 -3.995 1395 HG SER 74 HG SER 74 16.602 -6.446 -5.834 1396 H VAL 75 H VAL 75 15.953 -5.366 -1.687 1397 HA VAL 75 HA VAL 75 15.155 -7.387 0.371 1398 HB VAL 75 HB VAL 75 15.493 -5.576 1.718 1399 1HG1 VAL 75 1HG1 VAL 75 15.992 -3.346 0.881 1400 2HG1 VAL 75 2HG1 VAL 75 15.364 -3.769 -0.709 1401 3HG1 VAL 75 3HG1 VAL 75 16.830 -4.540 -0.107 1402 1HG2 VAL 75 1HG2 VAL 75 13.739 -3.855 1.817 1403 2HG2 VAL 75 2HG2 VAL 75 13.024 -5.446 1.598 1404 3HG2 VAL 75 3HG2 VAL 75 13.151 -4.344 0.229 1405 H GLY 76 H GLY 76 12.634 -7.135 0.952 1406 1HA GLY 76 2HA GLY 76 11.240 -6.951 -1.701 1407 2HA GLY 76 1HA GLY 76 10.765 -8.076 -0.437 1408 H VAL 77 H VAL 77 10.730 -4.709 -1.439 1409 HA VAL 77 HA VAL 77 9.315 -3.689 0.887 1410 HB VAL 77 HB VAL 77 10.571 -2.234 -0.635 1411 1HG1 VAL 77 1HG1 VAL 77 9.003 -3.717 -2.648 1412 2HG1 VAL 77 2HG1 VAL 77 10.581 -2.945 -2.796 1413 3HG1 VAL 77 3HG1 VAL 77 9.113 -1.984 -2.954 1414 1HG2 VAL 77 1HG2 VAL 77 8.244 -0.971 -1.508 1415 2HG2 VAL 77 2HG2 VAL 77 9.029 -0.726 0.051 1416 3HG2 VAL 77 3HG2 VAL 77 7.714 -1.887 -0.100 1417 H SER 78 H SER 78 7.924 -5.743 0.818 1418 HA SER 78 HA SER 78 5.908 -6.165 -1.138 1419 1HB SER 78 2HB SER 78 6.787 -7.348 1.153 1420 2HB SER 78 1HB SER 78 5.256 -6.676 1.709 1421 HG SER 78 HG SER 78 4.215 -8.038 0.471 1422 H VAL 79 H VAL 79 3.581 -6.126 0.524 1423 HA VAL 79 HA VAL 79 2.992 -3.365 1.287 1424 HB VAL 79 HB VAL 79 2.883 -3.703 -1.300 1425 1HG1 VAL 79 1HG1 VAL 79 1.650 -5.875 -1.132 1426 2HG1 VAL 79 2HG1 VAL 79 0.839 -4.686 -2.151 1427 3HG1 VAL 79 3HG1 VAL 79 0.255 -4.988 -0.514 1428 1HG2 VAL 79 1HG2 VAL 79 1.786 -1.755 -1.079 1429 2HG2 VAL 79 2HG2 VAL 79 1.268 -2.202 0.545 1430 3HG2 VAL 79 3HG2 VAL 79 0.284 -2.649 -0.846 1431 H LYS 80 H LYS 80 0.182 -3.601 1.500 1432 HA LYS 80 HA LYS 80 -0.180 -6.277 2.747 1433 1HB LYS 80 2HB LYS 80 -0.079 -3.603 4.003 1434 2HB LYS 80 1HB LYS 80 -1.341 -4.677 4.594 1435 1HG LYS 80 2HG LYS 80 0.806 -6.378 4.477 1436 2HG LYS 80 1HG LYS 80 1.588 -4.858 4.914 1437 1HD LYS 80 2HD LYS 80 0.395 -4.664 6.914 1438 2HD LYS 80 1HD LYS 80 -0.906 -5.715 6.354 1439 1HE LYS 80 2HE LYS 80 0.111 -7.453 7.391 1440 2HE LYS 80 1HE LYS 80 1.491 -7.261 6.292 1441 1HZ LYS 80 1HZ LYS 80 1.047 -5.654 8.753 1442 2HZ LYS 80 2HZ LYS 80 2.391 -5.563 7.719 1443 3HZ LYS 80 3HZ LYS 80 2.119 -6.964 8.641 1444 HA PRO 81 HA PRO 81 -4.482 -5.759 1.656 1445 1HB PRO 81 2HB PRO 81 -5.291 -7.880 3.167 1446 2HB PRO 81 1HB PRO 81 -4.202 -8.082 1.778 1447 1HG PRO 81 2HG PRO 81 -3.617 -8.454 4.585 1448 2HG PRO 81 1HG PRO 81 -2.580 -8.774 3.187 1449 1HD PRO 81 2HD PRO 81 -2.688 -6.350 4.924 1450 2HD PRO 81 1HD PRO 81 -1.334 -6.999 3.963 1451 H GLY 82 H GLY 82 -5.928 -4.192 2.558 1452 1HA GLY 82 2HA GLY 82 -6.550 -4.503 5.473 1453 2HA GLY 82 1HA GLY 82 -6.448 -2.919 4.724 1454 H GLU 83 H GLU 83 -8.779 -4.394 6.006 1455 HA GLU 83 HA GLU 83 -10.586 -4.920 3.751 1456 1HB GLU 83 2HB GLU 83 -12.192 -5.393 5.581 1457 2HB GLU 83 1HB GLU 83 -10.673 -6.265 5.776 1458 1HG GLU 83 2HG GLU 83 -10.587 -3.630 7.034 1459 2HG GLU 83 1HG GLU 83 -11.884 -4.631 7.688 1460 H SER 84 H SER 84 -9.879 -2.201 5.858 1461 HA SER 84 HA SER 84 -12.287 -0.737 5.780 1462 1HB SER 84 2HB SER 84 -10.467 0.144 7.014 1463 2HB SER 84 1HB SER 84 -9.360 -0.014 5.655 1464 HG SER 84 HG SER 84 -11.040 2.022 6.321 1465 H LEU 85 H LEU 85 -9.909 -1.363 3.298 1466 HA LEU 85 HA LEU 85 -11.186 0.429 1.333 1467 1HB LEU 85 2HB LEU 85 -8.931 0.443 0.956 1468 2HB LEU 85 1HB LEU 85 -8.689 -1.096 1.752 1469 HG LEU 85 HG LEU 85 -8.915 -2.287 -0.222 1470 1HD1 LEU 85 1HD1 LEU 85 -10.840 -0.168 -0.941 1471 2HD1 LEU 85 2HD1 LEU 85 -10.866 -1.890 -1.328 1472 3HD1 LEU 85 3HD1 LEU 85 -9.885 -0.791 -2.284 1473 1HD2 LEU 85 1HD2 LEU 85 -7.835 -0.783 -2.059 1474 2HD2 LEU 85 2HD2 LEU 85 -6.935 -1.071 -0.570 1475 3HD2 LEU 85 3HD2 LEU 85 -7.802 0.447 -0.797 1476 H LYS 86 H LYS 86 -10.798 -3.056 2.016 1477 HA LYS 86 HA LYS 86 -12.232 -3.969 -0.296 1478 1HB LYS 86 2HB LYS 86 -11.970 -5.208 2.466 1479 2HB LYS 86 1HB LYS 86 -12.393 -6.074 0.991 1480 1HG LYS 86 2HG LYS 86 -10.230 -5.743 0.051 1481 2HG LYS 86 1HG LYS 86 -9.808 -4.532 1.260 1482 1HD LYS 86 2HD LYS 86 -8.952 -6.146 2.568 1483 2HD LYS 86 1HD LYS 86 -10.543 -6.899 2.665 1484 1HE LYS 86 2HE LYS 86 -9.411 -8.652 1.668 1485 2HE LYS 86 1HE LYS 86 -9.791 -7.740 0.193 1486 1HZ LYS 86 1HZ LYS 86 -7.431 -8.158 0.280 1487 2HZ LYS 86 2HZ LYS 86 -7.328 -7.489 1.838 1488 3HZ LYS 86 3HZ LYS 86 -7.708 -6.500 0.511 1489 H LYS 87 H LYS 87 -13.203 -2.661 2.758 1490 HA LYS 87 HA LYS 87 -15.997 -3.484 2.488 1491 1HB LYS 87 2HB LYS 87 -14.963 -3.248 4.695 1492 2HB LYS 87 1HB LYS 87 -14.478 -1.594 4.323 1493 1HG LYS 87 2HG LYS 87 -16.969 -1.087 4.005 1494 2HG LYS 87 1HG LYS 87 -17.278 -2.655 4.750 1495 1HD LYS 87 2HD LYS 87 -15.338 -1.169 6.307 1496 2HD LYS 87 1HD LYS 87 -16.802 -0.213 6.076 1497 1HE LYS 87 2HE LYS 87 -17.579 -1.424 7.862 1498 2HE LYS 87 1HE LYS 87 -17.854 -2.691 6.650 1499 1HZ LYS 87 1HZ LYS 87 -15.250 -2.291 8.014 1500 2HZ LYS 87 2HZ LYS 87 -15.727 -3.609 7.054 1501 3HZ LYS 87 3HZ LYS 87 -16.428 -3.370 8.583 1502 H ALA 88 H ALA 88 -13.938 -0.671 1.894 1503 HA ALA 88 HA ALA 88 -16.085 1.131 1.159 1504 1HB ALA 88 1HB ALA 88 -14.253 2.447 0.271 1505 2HB ALA 88 2HB ALA 88 -13.223 1.021 0.149 1506 3HB ALA 88 3HB ALA 88 -13.654 1.665 1.734 1507 H ALA 89 H ALA 89 -14.064 -1.269 -0.447 1508 HA ALA 89 HA ALA 89 -14.908 -0.800 -3.133 1509 1HB ALA 89 1HB ALA 89 -13.643 -2.991 -1.558 1510 2HB ALA 89 2HB ALA 89 -13.045 -2.159 -2.993 1511 3HB ALA 89 3HB ALA 89 -14.286 -3.401 -3.147 1512 H GLU 90 H GLU 90 -16.280 -2.674 -0.474 1513 HA GLU 90 HA GLU 90 -18.326 -4.055 -1.908 1514 1HB GLU 90 2HB GLU 90 -18.860 -4.656 0.232 1515 2HB GLU 90 1HB GLU 90 -17.500 -3.660 0.743 1516 1HG GLU 90 2HG GLU 90 -19.043 -1.692 0.861 1517 2HG GLU 90 1HG GLU 90 -20.388 -2.768 0.478 1518 H GLY 91 H GLY 91 -17.924 -0.751 -0.796 1519 1HA GLY 91 2HA GLY 91 -20.592 0.188 -1.358 1520 2HA GLY 91 1HA GLY 91 -19.156 1.206 -1.221 1521 H LEU 92 H LEU 92 -17.628 -0.095 -3.353 1522 HA LEU 92 HA LEU 92 -18.669 1.335 -5.637 1523 1HB LEU 92 2HB LEU 92 -16.591 0.792 -6.509 1524 2HB LEU 92 1HB LEU 92 -16.261 0.452 -4.815 1525 HG LEU 92 HG LEU 92 -17.266 -1.941 -5.536 1526 1HD1 LEU 92 1HD1 LEU 92 -17.055 -0.630 -7.994 1527 2HD1 LEU 92 2HD1 LEU 92 -17.208 -2.371 -7.757 1528 3HD1 LEU 92 3HD1 LEU 92 -15.612 -1.640 -7.924 1529 1HD2 LEU 92 1HD2 LEU 92 -15.214 -2.323 -4.674 1530 2HD2 LEU 92 2HD2 LEU 92 -14.613 -0.765 -5.236 1531 3HD2 LEU 92 3HD2 LEU 92 -14.593 -2.157 -6.314 1532 H LYS 93 H LYS 93 -19.957 -1.367 -4.301 1533 HA LYS 93 HA LYS 93 -21.486 -2.954 -5.162 1534 1HB LYS 93 2HB LYS 93 -21.507 -0.918 -7.002 1535 2HB LYS 93 1HB LYS 93 -20.916 -2.254 -7.991 1536 1HG LYS 93 2HG LYS 93 -23.297 -2.328 -8.166 1537 2HG LYS 93 1HG LYS 93 -22.859 -3.625 -7.053 1538 1HD LYS 93 2HD LYS 93 -23.311 -2.092 -5.141 1539 2HD LYS 93 1HD LYS 93 -23.838 -0.858 -6.286 1540 1HE LYS 93 2HE LYS 93 -25.082 -3.617 -6.281 1541 2HE LYS 93 1HE LYS 93 -25.694 -2.316 -5.241 1542 1HZ LYS 93 1HZ LYS 93 -25.304 -2.146 -8.182 1543 2HZ LYS 93 2HZ LYS 93 -25.853 -0.885 -7.186 1544 3HZ LYS 93 3HZ LYS 93 -26.799 -2.280 -7.393 1545 H TYR 94 H TYR 94 -18.824 -3.512 -4.557 1546 HA TYR 94 HA TYR 94 -17.069 -4.689 -6.308 1547 1HB TYR 94 2HB TYR 94 -16.358 -4.898 -4.153 1548 2HB TYR 94 1HB TYR 94 -17.992 -5.131 -3.538 1549 HD1 TYR 94 HD1 TYR 94 -18.555 -7.200 -2.713 1550 HD2 TYR 94 HD2 TYR 94 -15.467 -6.906 -5.675 1551 HE1 TYR 94 HE1 TYR 94 -18.190 -9.651 -2.580 1552 HE2 TYR 94 HE2 TYR 94 -15.095 -9.375 -5.531 1553 HH TYR 94 HH TYR 94 -17.223 -11.466 -4.280 1554 H GLU 95 H GLU 95 -20.219 -6.009 -5.339 1555 HA GLU 95 HA GLU 95 -19.918 -8.629 -6.445 1556 1HB GLU 95 2HB GLU 95 -22.397 -8.608 -6.419 1557 2HB GLU 95 1HB GLU 95 -21.728 -7.953 -4.926 1558 1HG GLU 95 2HG GLU 95 -21.930 -5.642 -6.093 1559 2HG GLU 95 1HG GLU 95 -23.005 -6.469 -7.220 1560 H ASP 96 H ASP 96 -21.082 -5.582 -7.883 1561 HA ASP 96 HA ASP 96 -21.731 -6.593 -10.482 1562 1HB ASP 96 2HB ASP 96 -21.263 -4.045 -9.119 1563 2HB ASP 96 1HB ASP 96 -20.667 -4.008 -10.779 1564 H PHE 97 H PHE 97 -18.753 -5.536 -8.945 1565 HA PHE 97 HA PHE 97 -16.984 -5.653 -11.207 1566 1HB PHE 97 2HB PHE 97 -16.941 -5.081 -8.446 1567 2HB PHE 97 1HB PHE 97 -15.835 -6.436 -8.640 1568 HD1 PHE 97 HD1 PHE 97 -13.626 -5.826 -8.922 1569 HD2 PHE 97 HD2 PHE 97 -16.703 -3.340 -10.590 1570 HE1 PHE 97 HE1 PHE 97 -11.896 -4.284 -9.802 1571 HE2 PHE 97 HE2 PHE 97 -14.974 -1.796 -11.474 1572 HZ PHE 97 HZ PHE 97 -12.571 -2.268 -11.083 1573 H ALA 98 H ALA 98 -18.349 -8.040 -9.033 1574 HA ALA 98 HA ALA 98 -16.576 -10.236 -9.628 1575 1HB ALA 98 1HB ALA 98 -18.444 -9.682 -7.768 1576 2HB ALA 98 2HB ALA 98 -17.969 -11.338 -8.146 1577 3HB ALA 98 3HB ALA 98 -19.429 -10.653 -8.861 1578 H LYS 99 H LYS 99 -19.881 -9.473 -10.737 1579 HA LYS 99 HA LYS 99 -19.982 -11.605 -12.689 1580 1HB LYS 99 2HB LYS 99 -21.541 -9.020 -12.356 1581 2HB LYS 99 1HB LYS 99 -22.025 -10.355 -13.402 1582 1HG LYS 99 2HG LYS 99 -21.654 -11.732 -11.125 1583 2HG LYS 99 1HG LYS 99 -22.070 -10.165 -10.430 1584 1HD LYS 99 2HD LYS 99 -23.718 -11.577 -12.546 1585 2HD LYS 99 1HD LYS 99 -24.065 -11.635 -10.817 1586 1HE LYS 99 2HE LYS 99 -24.026 -9.032 -10.940 1587 2HE LYS 99 1HE LYS 99 -24.228 -9.271 -12.687 1588 1HZ LYS 99 1HZ LYS 99 -25.962 -10.312 -10.513 1589 2HZ LYS 99 2HZ LYS 99 -26.065 -10.844 -12.123 1590 3HZ LYS 99 3HZ LYS 99 -26.394 -9.222 -11.739
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