NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
16992 | 2b3i | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 -11.340 -9.436 0.115 2 HA ALA 1 HA ALA 1 -11.902 -11.206 -1.886 3 1HB ALA 1 1HB ALA 1 -14.137 -10.883 0.025 4 2HB ALA 1 2HB ALA 1 -14.580 -10.609 -1.677 5 3HB ALA 1 3HB ALA 1 -13.842 -12.153 -1.186 6 H SER 2 H SER 2 -10.669 -9.472 -2.839 7 HA SER 2 HA SER 2 -10.431 -7.671 -4.026 8 1HB SER 2 1HB SER 2 -13.437 -7.918 -4.061 9 2HB SER 2 2HB SER 2 -12.717 -6.463 -4.717 10 HG SER 2 HG SER 2 -11.757 -9.057 -5.517 11 H VAL 3 H VAL 3 -9.345 -6.397 -2.464 12 HA VAL 3 HA VAL 3 -11.079 -4.508 -1.026 13 HB VAL 3 HB VAL 3 -9.218 -4.451 0.663 14 1HG1 VAL 3 1HG1 VAL 3 -11.056 -6.761 0.183 15 2HG1 VAL 3 2HG1 VAL 3 -9.855 -6.903 1.489 16 3HG1 VAL 3 3HG1 VAL 3 -11.032 -5.569 1.505 17 1HG2 VAL 3 1HG2 VAL 3 -8.302 -6.888 -0.896 18 2HG2 VAL 3 2HG2 VAL 3 -7.395 -5.386 -0.597 19 3HG2 VAL 3 3HG2 VAL 3 -7.757 -6.490 0.751 20 H GLN 4 H GLN 4 -9.597 -2.495 -0.336 21 HA GLN 4 HA GLN 4 -7.742 -1.902 -2.469 22 1HB GLN 4 1HB GLN 4 -9.867 0.151 -1.812 23 2HB GLN 4 2HB GLN 4 -8.836 0.056 -3.227 24 1HG GLN 4 1HG GLN 4 -10.085 -2.263 -3.626 25 2HG GLN 4 2HG GLN 4 -11.300 -1.576 -2.565 26 1HE2 GLN 4 2HE2 GLN 4 -12.895 -1.229 -3.981 27 2HE2 GLN 4 1HE2 GLN 4 -12.828 -0.146 -5.331 28 H ILE 5 H ILE 5 -6.186 -0.263 -1.901 29 HA ILE 5 HA ILE 5 -6.203 0.325 0.972 30 HB ILE 5 HB ILE 5 -4.058 -0.277 -1.014 31 1HG1 ILE 5 1HG1 ILE 5 -4.895 -2.072 0.398 32 2HG1 ILE 5 2HG1 ILE 5 -3.230 -1.695 0.797 33 1HG2 ILE 5 1HG2 ILE 5 -3.671 1.397 1.482 34 2HG2 ILE 5 2HG2 ILE 5 -2.362 0.618 0.562 35 3HG2 ILE 5 3HG2 ILE 5 -3.357 1.881 -0.203 36 1HD1 ILE 5 1HD1 ILE 5 -4.824 0.010 2.437 37 2HD1 ILE 5 2HD1 ILE 5 -5.570 -1.605 2.508 38 3HD1 ILE 5 3HD1 ILE 5 -3.858 -1.395 2.950 39 H LYS 6 H LYS 6 -7.013 2.314 1.379 40 HA LYS 6 HA LYS 6 -6.695 4.372 -0.637 41 1HB LYS 6 1HB LYS 6 -8.513 3.827 1.611 42 2HB LYS 6 2HB LYS 6 -8.035 5.507 1.487 43 1HG LYS 6 1HG LYS 6 -8.694 5.517 -0.928 44 2HG LYS 6 2HG LYS 6 -9.173 3.836 -0.805 45 1HD LYS 6 1HD LYS 6 -10.970 4.351 0.726 46 2HD LYS 6 2HD LYS 6 -10.362 5.970 1.016 47 1HE LYS 6 1HE LYS 6 -10.980 6.717 -1.192 48 2HE LYS 6 2HE LYS 6 -11.217 5.078 -1.768 49 1HZ LYS 6 1HZ LYS 6 -12.993 4.960 0.003 50 2HZ LYS 6 2HZ LYS 6 -12.896 6.588 0.088 51 3HZ LYS 6 3HZ LYS 6 -13.323 5.867 -1.314 52 H MET 7 H MET 7 -5.214 5.996 -0.558 53 HA MET 7 HA MET 7 -3.496 5.980 1.783 54 1HB MET 7 1HB MET 7 -3.188 7.050 -1.073 55 2HB MET 7 2HB MET 7 -2.003 7.377 0.175 56 1HG MET 7 1HG MET 7 -1.133 5.450 -0.900 57 2HG MET 7 2HG MET 7 -1.915 4.790 0.523 58 1HE MET 7 1HE MET 7 -1.775 5.551 -2.952 59 2HE MET 7 2HE MET 7 -2.253 3.981 -3.638 60 3HE MET 7 3HE MET 7 -3.417 5.326 -3.599 61 H GLY 8 H GLY 8 -4.244 7.390 3.333 62 1HA GLY 8 1HA GLY 8 -4.139 9.695 3.985 63 2HA GLY 8 2HA GLY 8 -4.816 10.146 2.434 64 H THR 9 H THR 9 -5.748 10.585 5.320 65 HA THR 9 HA THR 9 -8.365 9.251 5.105 66 HB THR 9 HB THR 9 -8.340 10.046 7.646 67 HG1 THR 9 HG1 THR 9 -5.893 9.928 8.189 68 1HG2 THR 9 1HG2 THR 9 -8.063 7.619 6.812 69 2HG2 THR 9 2HG2 THR 9 -6.307 7.916 6.822 70 3HG2 THR 9 3HG2 THR 9 -7.232 7.999 8.340 71 H ASP 10 H ASP 10 -10.241 10.567 5.956 72 HA ASP 10 HA ASP 10 -10.419 12.851 4.413 73 1HB ASP 10 1HB ASP 10 -12.268 11.303 5.432 74 2HB ASP 10 2HB ASP 10 -12.131 12.299 6.868 75 H LYS 11 H LYS 11 -8.902 12.261 7.445 76 HA LYS 11 HA LYS 11 -9.332 14.953 8.450 77 1HB LYS 11 1HB LYS 11 -8.314 14.187 10.466 78 2HB LYS 11 2HB LYS 11 -9.449 12.957 9.949 79 1HG LYS 11 1HG LYS 11 -7.373 11.879 8.733 80 2HG LYS 11 2HG LYS 11 -6.418 12.909 9.782 81 1HD LYS 11 1HD LYS 11 -7.012 11.750 11.709 82 2HD LYS 11 2HD LYS 11 -8.603 11.335 11.104 83 1HE LYS 11 1HE LYS 11 -7.440 9.745 9.448 84 2HE LYS 11 2HE LYS 11 -5.952 10.042 10.325 85 1HZ LYS 11 1HZ LYS 11 -8.400 9.107 11.644 86 2HZ LYS 11 2HZ LYS 11 -7.263 8.090 11.061 87 3HZ LYS 11 3HZ LYS 11 -6.887 9.133 12.259 88 H TYR 12 H TYR 12 -8.059 14.768 5.888 89 HA TYR 12 HA TYR 12 -6.149 15.223 4.797 90 1HB TYR 12 1HB TYR 12 -6.852 17.175 6.907 91 2HB TYR 12 2HB TYR 12 -5.129 17.232 6.594 92 HD1 TYR 12 HD1 TYR 12 -8.248 16.954 4.507 93 HD2 TYR 12 HD2 TYR 12 -4.484 18.893 5.122 94 HE1 TYR 12 HE1 TYR 12 -8.661 18.418 2.469 95 HE2 TYR 12 HE2 TYR 12 -4.909 20.350 3.082 96 HH TYR 12 HH TYR 12 -7.698 19.784 1.014 97 H ALA 13 H ALA 13 -5.841 13.096 6.891 98 HA ALA 13 HA ALA 13 -3.059 13.599 7.673 99 1HB ALA 13 1HB ALA 13 -5.217 11.726 8.708 100 2HB ALA 13 2HB ALA 13 -3.510 11.603 9.196 101 3HB ALA 13 3HB ALA 13 -4.436 13.079 9.564 102 HA PRO 14 HA PRO 14 -2.148 10.808 4.423 103 1HB PRO 14 1HB PRO 14 0.567 11.108 4.476 104 2HB PRO 14 2HB PRO 14 -0.497 12.172 3.578 105 1HG PRO 14 1HG PRO 14 0.913 12.680 6.126 106 2HG PRO 14 2HG PRO 14 0.208 13.835 5.014 107 1HD PRO 14 1HD PRO 14 -0.894 12.970 7.517 108 2HD PRO 14 2HD PRO 14 -1.652 14.035 6.350 109 H LEU 15 H LEU 15 -2.887 8.866 5.211 110 HA LEU 15 HA LEU 15 -0.739 7.270 6.295 111 1HB LEU 15 1HB LEU 15 -1.953 6.531 8.236 112 2HB LEU 15 2HB LEU 15 -1.676 8.260 8.299 113 HG LEU 15 HG LEU 15 -4.167 8.160 7.156 114 1HD1 LEU 15 1HD1 LEU 15 -3.883 5.573 7.836 115 2HD1 LEU 15 2HD1 LEU 15 -4.549 6.212 9.358 116 3HD1 LEU 15 3HD1 LEU 15 -5.445 6.426 7.836 117 1HD2 LEU 15 1HD2 LEU 15 -3.096 8.629 9.890 118 2HD2 LEU 15 2HD2 LEU 15 -4.005 9.709 8.805 119 3HD2 LEU 15 3HD2 LEU 15 -4.859 8.447 9.726 120 H TYR 16 H TYR 16 -1.266 4.935 6.212 121 HA TYR 16 HA TYR 16 -2.865 4.407 3.884 122 1HB TYR 16 1HB TYR 16 -0.930 3.065 5.786 123 2HB TYR 16 2HB TYR 16 -2.041 1.986 4.967 124 HD1 TYR 16 HD1 TYR 16 -2.261 2.699 2.285 125 HD2 TYR 16 HD2 TYR 16 1.159 3.204 4.806 126 HE1 TYR 16 HE1 TYR 16 -0.747 2.698 0.243 127 HE2 TYR 16 HE2 TYR 16 2.662 3.201 2.755 128 HH TYR 16 HH TYR 16 2.573 3.592 0.461 129 H GLU 17 H GLU 17 -4.915 3.595 3.800 130 HA GLU 17 HA GLU 17 -5.943 2.384 6.224 131 1HB GLU 17 1HB GLU 17 -6.731 4.653 6.439 132 2HB GLU 17 2HB GLU 17 -7.194 4.733 4.752 133 1HG GLU 17 1HG GLU 17 -8.849 2.816 5.239 134 2HG GLU 17 2HG GLU 17 -8.501 3.057 6.939 135 HA PRO 18 HA PRO 18 -7.429 1.380 6.800 136 1HB PRO 18 1HB PRO 18 -7.818 -1.281 7.285 137 2HB PRO 18 2HB PRO 18 -9.132 -0.154 7.016 138 1HG PRO 18 1HG PRO 18 -8.037 -2.196 5.180 139 2HG PRO 18 2HG PRO 18 -9.582 -1.369 5.109 140 1HD PRO 18 1HD PRO 18 -7.271 -0.830 3.497 141 2HD PRO 18 2HD PRO 18 -8.775 0.069 3.508 142 H LYS 19 H LYS 19 -5.903 1.321 8.387 143 HA LYS 19 HA LYS 19 -3.324 1.049 7.732 144 1HB LYS 19 1HB LYS 19 -4.718 1.533 10.034 145 2HB LYS 19 2HB LYS 19 -3.959 0.003 10.423 146 1HG LYS 19 1HG LYS 19 -1.733 0.930 9.771 147 2HG LYS 19 2HG LYS 19 -2.485 2.457 9.355 148 1HD LYS 19 1HD LYS 19 -3.156 2.850 11.666 149 2HD LYS 19 2HD LYS 19 -2.704 1.225 12.137 150 1HE LYS 19 1HE LYS 19 -0.500 1.784 12.373 151 2HE LYS 19 2HE LYS 19 -0.466 2.658 10.855 152 1HZ LYS 19 1HZ LYS 19 -1.978 4.219 12.439 153 2HZ LYS 19 2HZ LYS 19 -0.858 3.652 13.484 154 3HZ LYS 19 3HZ LYS 19 -0.390 4.444 12.135 155 H ALA 20 H ALA 20 -5.590 -1.601 8.587 156 HA ALA 20 HA ALA 20 -3.521 -3.467 7.653 157 1HB ALA 20 1HB ALA 20 -5.272 -3.533 10.107 158 2HB ALA 20 2HB ALA 20 -4.776 -5.059 9.336 159 3HB ALA 20 3HB ALA 20 -3.544 -3.924 9.940 160 H LEU 21 H LEU 21 -4.270 -5.204 6.355 161 HA LEU 21 HA LEU 21 -7.125 -5.257 5.792 162 1HB LEU 21 1HB LEU 21 -6.569 -3.763 4.129 163 2HB LEU 21 2HB LEU 21 -4.980 -4.458 3.871 164 HG LEU 21 HG LEU 21 -6.026 -6.431 2.795 165 1HD1 LEU 21 1HD1 LEU 21 -8.309 -5.742 4.088 166 2HD1 LEU 21 2HD1 LEU 21 -8.646 -5.111 2.459 167 3HD1 LEU 21 3HD1 LEU 21 -8.235 -6.829 2.681 168 1HD2 LEU 21 1HD2 LEU 21 -5.587 -3.922 1.738 169 2HD2 LEU 21 2HD2 LEU 21 -5.878 -5.416 0.814 170 3HD2 LEU 21 3HD2 LEU 21 -7.229 -4.315 1.174 171 H SER 22 H SER 22 -7.873 -7.304 5.166 172 HA SER 22 HA SER 22 -5.786 -9.331 5.008 173 1HB SER 22 1HB SER 22 -6.967 -9.253 7.270 174 2HB SER 22 2HB SER 22 -8.450 -9.689 6.446 175 HG SER 22 HG SER 22 -7.672 -11.658 7.022 176 H ILE 23 H ILE 23 -6.235 -11.094 3.564 177 HA ILE 23 HA ILE 23 -8.804 -11.138 2.245 178 HB ILE 23 HB ILE 23 -7.852 -10.923 0.006 179 1HG1 ILE 23 1HG1 ILE 23 -5.306 -9.866 1.229 180 2HG1 ILE 23 2HG1 ILE 23 -5.486 -11.565 0.838 181 1HG2 ILE 23 1HG2 ILE 23 -8.900 -8.992 1.056 182 2HG2 ILE 23 2HG2 ILE 23 -7.348 -8.528 1.794 183 3HG2 ILE 23 3HG2 ILE 23 -7.540 -8.489 0.024 184 1HD1 ILE 23 1HD1 ILE 23 -6.350 -9.702 -1.321 185 2HD1 ILE 23 2HD1 ILE 23 -4.612 -9.667 -0.940 186 3HD1 ILE 23 3HD1 ILE 23 -5.386 -11.195 -1.424 187 H SER 24 H SER 24 -8.356 -12.917 0.242 188 HA SER 24 HA SER 24 -7.221 -15.143 1.734 189 1HB SER 24 1HB SER 24 -9.147 -15.279 -0.622 190 2HB SER 24 2HB SER 24 -8.702 -16.591 0.450 191 HG SER 24 HG SER 24 -10.728 -15.786 1.114 192 H ALA 25 H ALA 25 -6.389 -16.985 0.130 193 HA ALA 25 HA ALA 25 -4.295 -15.795 -1.383 194 1HB ALA 25 1HB ALA 25 -5.216 -18.559 -0.648 195 2HB ALA 25 2HB ALA 25 -4.069 -18.375 -1.997 196 3HB ALA 25 3HB ALA 25 -3.642 -17.774 -0.376 197 H GLY 26 H GLY 26 -4.899 -14.687 -3.214 198 1HA GLY 26 1HA GLY 26 -5.184 -15.275 -5.598 199 2HA GLY 26 2HA GLY 26 -6.621 -16.156 -5.121 200 H ASP 27 H ASP 27 -6.553 -13.607 -2.989 201 HA ASP 27 HA ASP 27 -8.617 -12.288 -4.394 202 1HB ASP 27 1HB ASP 27 -7.209 -11.957 -1.742 203 2HB ASP 27 2HB ASP 27 -8.171 -10.617 -2.334 204 H THR 28 H THR 28 -8.423 -9.629 -4.218 205 HA THR 28 HA THR 28 -5.769 -8.903 -5.271 206 HB THR 28 HB THR 28 -8.451 -7.776 -6.207 207 HG1 THR 28 HG1 THR 28 -6.741 -10.002 -7.048 208 1HG2 THR 28 1HG2 THR 28 -6.216 -6.574 -6.740 209 2HG2 THR 28 2HG2 THR 28 -5.783 -8.027 -7.673 210 3HG2 THR 28 3HG2 THR 28 -7.197 -7.055 -8.145 211 H VAL 29 H VAL 29 -5.105 -6.684 -4.931 212 HA VAL 29 HA VAL 29 -6.594 -5.375 -2.773 213 HB VAL 29 HB VAL 29 -3.633 -5.972 -2.869 214 1HG1 VAL 29 1HG1 VAL 29 -4.273 -3.616 -2.096 215 2HG1 VAL 29 2HG1 VAL 29 -5.048 -4.405 -0.700 216 3HG1 VAL 29 3HG1 VAL 29 -3.300 -4.598 -0.975 217 1HG2 VAL 29 1HG2 VAL 29 -5.937 -7.168 -1.498 218 2HG2 VAL 29 2HG2 VAL 29 -4.302 -7.815 -1.774 219 3HG2 VAL 29 3HG2 VAL 29 -4.609 -6.729 -0.398 220 H GLU 30 H GLU 30 -7.379 -3.618 -3.863 221 HA GLU 30 HA GLU 30 -5.790 -2.415 -5.896 222 1HB GLU 30 1HB GLU 30 -8.413 -2.643 -5.708 223 2HB GLU 30 2HB GLU 30 -8.303 -1.189 -4.735 224 1HG GLU 30 1HG GLU 30 -7.480 0.117 -6.527 225 2HG GLU 30 2HG GLU 30 -6.876 -1.276 -7.404 226 H PHE 31 H PHE 31 -5.643 0.152 -5.832 227 HA PHE 31 HA PHE 31 -5.173 1.131 -3.149 228 1HB PHE 31 1HB PHE 31 -3.102 0.775 -5.386 229 2HB PHE 31 2HB PHE 31 -2.842 1.922 -4.087 230 HD1 PHE 31 HD1 PHE 31 -3.375 -1.679 -4.788 231 HD2 PHE 31 HD2 PHE 31 -1.993 1.217 -2.011 232 HE1 PHE 31 HE1 PHE 31 -2.401 -3.505 -3.369 233 HE2 PHE 31 HE2 PHE 31 -1.019 -0.610 -0.591 234 HZ PHE 31 HZ PHE 31 -1.235 -2.949 -1.287 235 H VAL 32 H VAL 32 -6.143 3.098 -3.079 236 HA VAL 32 HA VAL 32 -5.979 4.736 -5.513 237 HB VAL 32 HB VAL 32 -8.226 3.608 -4.977 238 1HG1 VAL 32 1HG1 VAL 32 -8.228 5.780 -2.853 239 2HG1 VAL 32 2HG1 VAL 32 -9.644 4.829 -3.360 240 3HG1 VAL 32 3HG1 VAL 32 -8.266 4.022 -2.572 241 1HG2 VAL 32 1HG2 VAL 32 -7.559 6.280 -5.909 242 2HG2 VAL 32 2HG2 VAL 32 -8.766 5.126 -6.525 243 3HG2 VAL 32 3HG2 VAL 32 -9.188 6.230 -5.195 244 H MET 33 H MET 33 -5.797 7.028 -5.160 245 HA MET 33 HA MET 33 -4.568 7.566 -2.604 246 1HB MET 33 1HB MET 33 -4.504 8.691 -5.383 247 2HB MET 33 2HB MET 33 -4.353 9.890 -4.113 248 1HG MET 33 1HG MET 33 -2.399 8.782 -3.175 249 2HG MET 33 2HG MET 33 -2.641 7.364 -4.176 250 1HE MET 33 1HE MET 33 -2.715 11.029 -4.273 251 2HE MET 33 2HE MET 33 -0.976 11.262 -4.565 252 3HE MET 33 3HE MET 33 -2.139 11.493 -5.892 253 H ASN 34 H ASN 34 -5.824 8.348 -0.970 254 HA ASN 34 HA ASN 34 -8.369 9.389 -1.494 255 1HB ASN 34 1HB ASN 34 -6.676 8.779 0.859 256 2HB ASN 34 2HB ASN 34 -7.670 10.199 1.116 257 1HD2 ASN 34 2HD2 ASN 34 -9.229 9.510 2.404 258 2HD2 ASN 34 1HD2 ASN 34 -10.323 8.204 2.091 259 H LYS 35 H LYS 35 -5.505 10.891 0.209 260 HA LYS 35 HA LYS 35 -5.536 13.211 -1.396 261 1HB LYS 35 1HB LYS 35 -6.308 14.825 0.305 262 2HB LYS 35 2HB LYS 35 -7.584 13.757 -0.247 263 1HG LYS 35 1HG LYS 35 -6.209 12.553 2.028 264 2HG LYS 35 2HG LYS 35 -6.713 14.180 2.437 265 1HD LYS 35 1HD LYS 35 -8.638 12.263 1.074 266 2HD LYS 35 2HD LYS 35 -8.402 12.203 2.809 267 1HE LYS 35 1HE LYS 35 -9.285 14.661 1.220 268 2HE LYS 35 2HE LYS 35 -10.326 13.663 2.215 269 1HZ LYS 35 1HZ LYS 35 -8.146 14.422 3.748 270 2HZ LYS 35 2HZ LYS 35 -8.713 15.767 3.015 271 3HZ LYS 35 3HZ LYS 35 -9.709 14.858 3.935 272 H VAL 36 H VAL 36 -4.244 15.035 0.156 273 HA VAL 36 HA VAL 36 -2.224 15.506 0.923 274 HB VAL 36 HB VAL 36 -2.413 13.010 2.599 275 1HG1 VAL 36 1HG1 VAL 36 -1.096 15.712 2.884 276 2HG1 VAL 36 2HG1 VAL 36 -1.449 14.699 4.306 277 3HG1 VAL 36 3HG1 VAL 36 -0.377 14.089 3.022 278 1HG2 VAL 36 1HG2 VAL 36 -4.621 14.177 2.574 279 2HG2 VAL 36 2HG2 VAL 36 -3.835 14.167 4.171 280 3HG2 VAL 36 3HG2 VAL 36 -3.810 15.643 3.176 281 H GLY 37 H GLY 37 -1.669 14.832 -1.425 282 1HA GLY 37 1HA GLY 37 -0.009 12.405 -1.485 283 2HA GLY 37 2HA GLY 37 -0.624 13.296 -2.864 284 HA PRO 38 HA PRO 38 0.777 12.621 -3.987 285 1HB PRO 38 1HB PRO 38 3.121 11.675 -5.024 286 2HB PRO 38 2HB PRO 38 2.257 13.039 -5.701 287 1HG PRO 38 1HG PRO 38 4.726 13.031 -4.077 288 2HG PRO 38 2HG PRO 38 4.091 14.302 -5.102 289 1HD PRO 38 1HD PRO 38 3.983 14.193 -2.237 290 2HD PRO 38 2HD PRO 38 3.247 15.404 -3.269 291 H HIS 39 H HIS 39 1.294 10.167 -4.471 292 HA HIS 39 HA HIS 39 2.178 9.032 -1.930 293 1HB HIS 39 1HB HIS 39 -0.381 8.346 -3.401 294 2HB HIS 39 2HB HIS 39 0.299 7.375 -2.109 295 HD2 HIS 39 HD2 HIS 39 -1.683 10.705 -2.590 296 HE1 HIS 39 HE1 HIS 39 -1.187 10.084 1.591 297 HE2 HIS 39 HE2 HIS 39 -2.294 11.521 -0.254 298 H ASN 40 H ASN 40 1.879 6.332 -2.531 299 HA ASN 40 HA ASN 40 2.659 5.691 -5.117 300 1HB ASN 40 1HB ASN 40 5.046 5.008 -4.619 301 2HB ASN 40 2HB ASN 40 4.810 6.744 -4.579 302 1HD2 ASN 40 2HD2 ASN 40 5.715 3.944 -2.865 303 2HD2 ASN 40 1HD2 ASN 40 6.028 4.647 -1.313 304 H VAL 41 H VAL 41 4.084 3.318 -4.718 305 HA VAL 41 HA VAL 41 2.792 1.956 -2.482 306 HB VAL 41 HB VAL 41 2.653 1.108 -5.381 307 1HG1 VAL 41 1HG1 VAL 41 2.385 -0.411 -2.861 308 2HG1 VAL 41 2HG1 VAL 41 1.052 -0.637 -4.018 309 3HG1 VAL 41 3HG1 VAL 41 2.727 -0.974 -4.515 310 1HG2 VAL 41 1HG2 VAL 41 0.828 2.546 -3.600 311 2HG2 VAL 41 2HG2 VAL 41 0.788 2.352 -5.369 312 3HG2 VAL 41 3HG2 VAL 41 0.093 1.093 -4.321 313 H ILE 42 H ILE 42 4.826 1.866 -1.435 314 HA ILE 42 HA ILE 42 6.755 0.138 -2.823 315 HB ILE 42 HB ILE 42 7.203 2.598 -1.155 316 1HG1 ILE 42 1HG1 ILE 42 8.448 1.819 -3.797 317 2HG1 ILE 42 2HG1 ILE 42 6.910 2.655 -3.699 318 1HG2 ILE 42 1HG2 ILE 42 8.594 0.696 -0.295 319 2HG2 ILE 42 2HG2 ILE 42 9.347 0.599 -1.905 320 3HG2 ILE 42 3HG2 ILE 42 9.521 2.077 -0.930 321 1HD1 ILE 42 1HD1 ILE 42 9.211 3.768 -2.103 322 2HD1 ILE 42 2HD1 ILE 42 9.210 4.008 -3.866 323 3HD1 ILE 42 3HD1 ILE 42 7.858 4.622 -2.884 324 H PHE 43 H PHE 43 6.298 -1.841 -1.943 325 HA PHE 43 HA PHE 43 5.342 -2.208 0.646 326 1HB PHE 43 1HB PHE 43 6.969 -3.974 -1.279 327 2HB PHE 43 2HB PHE 43 6.144 -4.605 0.131 328 HD1 PHE 43 HD1 PHE 43 3.643 -4.514 0.230 329 HD2 PHE 43 HD2 PHE 43 5.793 -3.544 -3.296 330 HE1 PHE 43 HE1 PHE 43 1.553 -4.816 -1.126 331 HE2 PHE 43 HE2 PHE 43 3.704 -3.844 -4.653 332 HZ PHE 43 HZ PHE 43 1.608 -4.477 -3.552 333 H ASP 44 H ASP 44 6.458 -3.399 2.448 334 HA ASP 44 HA ASP 44 9.018 -2.165 2.854 335 1HB ASP 44 1HB ASP 44 6.952 -2.493 4.532 336 2HB ASP 44 2HB ASP 44 7.714 -4.042 4.832 337 H LYS 45 H LYS 45 7.455 -5.451 2.954 338 HA LYS 45 HA LYS 45 9.321 -6.848 1.612 339 1HB LYS 45 1HB LYS 45 10.434 -6.017 4.147 340 2HB LYS 45 2HB LYS 45 10.318 -7.764 4.091 341 1HG LYS 45 1HG LYS 45 11.295 -7.392 1.606 342 2HG LYS 45 2HG LYS 45 11.892 -5.905 2.313 343 1HD LYS 45 1HD LYS 45 12.315 -8.443 3.879 344 2HD LYS 45 2HD LYS 45 13.284 -8.219 2.437 345 1HE LYS 45 1HE LYS 45 13.950 -5.922 3.325 346 2HE LYS 45 2HE LYS 45 13.109 -6.308 4.813 347 1HZ LYS 45 1HZ LYS 45 15.221 -8.018 3.711 348 2HZ LYS 45 2HZ LYS 45 15.520 -6.816 4.775 349 3HZ LYS 45 3HZ LYS 45 14.575 -8.076 5.210 350 H VAL 46 H VAL 46 8.800 -9.085 1.556 351 HA VAL 46 HA VAL 46 6.653 -9.859 3.400 352 HB VAL 46 HB VAL 46 5.425 -10.844 1.610 353 1HG1 VAL 46 1HG1 VAL 46 6.179 -7.982 1.472 354 2HG1 VAL 46 2HG1 VAL 46 5.368 -8.633 0.027 355 3HG1 VAL 46 3HG1 VAL 46 4.578 -8.746 1.618 356 1HG2 VAL 46 1HG2 VAL 46 7.947 -10.483 0.117 357 2HG2 VAL 46 2HG2 VAL 46 6.667 -11.707 -0.063 358 3HG2 VAL 46 3HG2 VAL 46 6.473 -10.101 -0.807 359 HA PRO 47 HA PRO 47 8.947 -13.494 3.831 360 1HB PRO 47 1HB PRO 47 7.036 -15.356 4.419 361 2HB PRO 47 2HB PRO 47 7.653 -14.213 5.594 362 1HG PRO 47 1HG PRO 47 5.054 -14.200 4.185 363 2HG PRO 47 2HG PRO 47 5.518 -13.340 5.641 364 1HD PRO 47 1HD PRO 47 5.265 -12.238 3.005 365 2HD PRO 47 2HD PRO 47 5.840 -11.409 4.437 366 H ALA 48 H ALA 48 9.504 -15.687 3.070 367 HA ALA 48 HA ALA 48 9.736 -15.802 0.408 368 1HB ALA 48 1HB ALA 48 9.606 -17.812 2.608 369 2HB ALA 48 2HB ALA 48 9.469 -18.444 0.950 370 3HB ALA 48 3HB ALA 48 10.896 -17.493 1.424 371 H GLY 49 H GLY 49 8.506 -16.268 -1.392 372 1HA GLY 49 1HA GLY 49 6.519 -17.723 -2.035 373 2HA GLY 49 2HA GLY 49 5.638 -16.739 -0.882 374 H GLU 50 H GLU 50 6.206 -14.186 -1.214 375 HA GLU 50 HA GLU 50 5.705 -13.759 -4.049 376 1HB GLU 50 1HB GLU 50 4.346 -12.863 -1.732 377 2HB GLU 50 2HB GLU 50 5.181 -11.447 -2.337 378 1HG GLU 50 1HG GLU 50 3.820 -13.116 -4.414 379 2HG GLU 50 2HG GLU 50 2.753 -12.309 -3.282 380 H SER 51 H SER 51 6.280 -11.055 -4.321 381 HA SER 51 HA SER 51 9.044 -10.862 -3.433 382 1HB SER 51 1HB SER 51 7.997 -10.308 -6.245 383 2HB SER 51 2HB SER 51 9.608 -9.890 -5.697 384 HG SER 51 HG SER 51 8.473 -12.466 -6.197 385 H ALA 52 H ALA 52 8.073 -9.425 -1.768 386 HA ALA 52 HA ALA 52 6.495 -7.234 -2.324 387 1HB ALA 52 1HB ALA 52 7.690 -8.394 -0.109 388 2HB ALA 52 2HB ALA 52 8.510 -6.818 -0.216 389 3HB ALA 52 3HB ALA 52 6.735 -6.892 -0.101 390 HA PRO 53 HA PRO 53 10.516 -4.847 -3.049 391 1HB PRO 53 1HB PRO 53 12.889 -6.184 -3.276 392 2HB PRO 53 2HB PRO 53 12.341 -5.452 -1.781 393 1HG PRO 53 1HG PRO 53 12.392 -8.309 -2.534 394 2HG PRO 53 2HG PRO 53 12.259 -7.597 -0.940 395 1HD PRO 53 1HD PRO 53 10.140 -8.764 -2.480 396 2HD PRO 53 2HD PRO 53 9.988 -7.948 -0.936 397 H ALA 54 H ALA 54 8.750 -5.723 -4.852 398 HA ALA 54 HA ALA 54 10.324 -5.479 -7.232 399 1HB ALA 54 1HB ALA 54 10.501 -7.918 -6.744 400 2HB ALA 54 2HB ALA 54 8.725 -8.029 -6.766 401 3HB ALA 54 3HB ALA 54 9.607 -7.586 -8.247 402 H LEU 55 H LEU 55 7.128 -6.380 -5.776 403 HA LEU 55 HA LEU 55 5.647 -5.338 -7.943 404 1HB LEU 55 1HB LEU 55 5.091 -6.373 -5.211 405 2HB LEU 55 2HB LEU 55 3.864 -5.366 -5.954 406 HG LEU 55 HG LEU 55 5.020 -7.872 -7.208 407 1HD1 LEU 55 1HD1 LEU 55 3.465 -7.892 -5.010 408 2HD1 LEU 55 2HD1 LEU 55 2.209 -7.821 -6.269 409 3HD1 LEU 55 3HD1 LEU 55 3.402 -9.142 -6.276 410 1HD2 LEU 55 1HD2 LEU 55 2.959 -5.876 -8.080 411 2HD2 LEU 55 2HD2 LEU 55 4.249 -6.671 -9.013 412 3HD2 LEU 55 3HD2 LEU 55 2.791 -7.583 -8.555 413 H SER 56 H SER 56 7.342 -3.913 -5.252 414 HA SER 56 HA SER 56 5.841 -1.736 -4.688 415 1HB SER 56 1HB SER 56 8.796 -2.295 -4.744 416 2HB SER 56 2HB SER 56 8.296 -0.630 -4.521 417 HG SER 56 HG SER 56 7.644 -2.911 -2.872 418 H ASN 57 H ASN 57 6.416 0.652 -5.356 419 HA ASN 57 HA ASN 57 7.375 0.928 -8.016 420 1HB ASN 57 1HB ASN 57 4.690 0.334 -7.868 421 2HB ASN 57 2HB ASN 57 4.618 2.077 -7.707 422 1HD2 ASN 57 2HD2 ASN 57 3.474 0.950 -9.842 423 2HD2 ASN 57 1HD2 ASN 57 4.358 1.259 -11.299 424 H THR 58 H THR 58 8.713 2.692 -7.555 425 HA THR 58 HA THR 58 7.796 4.679 -5.634 426 HB THR 58 HB THR 58 10.128 3.571 -5.646 427 HG1 THR 58 HG1 THR 58 9.704 6.451 -6.020 428 1HG2 THR 58 1HG2 THR 58 10.278 4.071 -8.286 429 2HG2 THR 58 2HG2 THR 58 10.834 5.663 -7.713 430 3HG2 THR 58 3HG2 THR 58 11.725 4.192 -7.256 431 H LYS 59 H LYS 59 6.602 4.287 -8.428 432 HA LYS 59 HA LYS 59 7.415 6.739 -9.727 433 1HB LYS 59 1HB LYS 59 6.955 4.645 -10.997 434 2HB LYS 59 2HB LYS 59 5.279 4.725 -10.491 435 1HG LYS 59 1HG LYS 59 5.045 6.958 -11.580 436 2HG LYS 59 2HG LYS 59 6.730 6.911 -12.061 437 1HD LYS 59 1HD LYS 59 6.352 5.009 -13.527 438 2HD LYS 59 2HD LYS 59 4.745 4.746 -12.880 439 1HE LYS 59 1HE LYS 59 4.916 7.482 -13.822 440 2HE LYS 59 2HE LYS 59 5.510 6.423 -15.085 441 1HZ LYS 59 1HZ LYS 59 3.098 5.591 -13.737 442 2HZ LYS 59 2HZ LYS 59 2.970 6.890 -14.718 443 3HZ LYS 59 3HZ LYS 59 3.506 5.467 -15.313 444 H LEU 60 H LEU 60 6.694 7.611 -7.348 445 HA LEU 60 HA LEU 60 4.148 7.906 -6.569 446 1HB LEU 60 1HB LEU 60 4.805 9.823 -5.420 447 2HB LEU 60 2HB LEU 60 6.244 8.831 -5.541 448 HG LEU 60 HG LEU 60 6.782 10.305 -7.636 449 1HD1 LEU 60 1HD1 LEU 60 4.413 11.620 -6.549 450 2HD1 LEU 60 2HD1 LEU 60 5.805 12.718 -6.698 451 3HD1 LEU 60 3HD1 LEU 60 5.222 11.821 -8.121 452 1HD2 LEU 60 1HD2 LEU 60 7.285 10.632 -4.779 453 2HD2 LEU 60 2HD2 LEU 60 8.400 10.725 -6.163 454 3HD2 LEU 60 3HD2 LEU 60 7.449 12.152 -5.689 455 H ALA 61 H ALA 61 2.264 8.713 -7.347 456 HA ALA 61 HA ALA 61 2.475 10.361 -9.774 457 1HB ALA 61 1HB ALA 61 0.561 8.182 -8.915 458 2HB ALA 61 2HB ALA 61 0.078 9.401 -10.119 459 3HB ALA 61 3HB ALA 61 1.471 8.340 -10.437 460 H ILE 62 H ILE 62 1.954 12.457 -9.438 461 HA ILE 62 HA ILE 62 0.768 13.284 -7.010 462 HB ILE 62 HB ILE 62 2.422 14.567 -8.327 463 1HG1 ILE 62 1HG1 ILE 62 1.153 16.792 -8.117 464 2HG1 ILE 62 2HG1 ILE 62 -0.214 15.839 -7.578 465 1HG2 ILE 62 1HG2 ILE 62 1.187 14.006 -10.542 466 2HG2 ILE 62 2HG2 ILE 62 0.207 15.442 -10.160 467 3HG2 ILE 62 3HG2 ILE 62 1.970 15.593 -10.352 468 1HD1 ILE 62 1HD1 ILE 62 1.294 14.795 -5.814 469 2HD1 ILE 62 2HD1 ILE 62 2.548 15.964 -6.293 470 3HD1 ILE 62 3HD1 ILE 62 1.010 16.540 -5.606 471 H ALA 63 H ALA 63 -0.414 12.859 -10.391 472 HA ALA 63 HA ALA 63 -2.895 13.982 -10.132 473 1HB ALA 63 1HB ALA 63 -1.510 12.124 -11.888 474 2HB ALA 63 2HB ALA 63 -3.217 11.659 -11.701 475 3HB ALA 63 3HB ALA 63 -2.797 13.292 -12.270 476 HA PRO 64 HA PRO 64 -4.651 11.365 -7.102 477 1HB PRO 64 1HB PRO 64 -6.995 12.733 -6.780 478 2HB PRO 64 2HB PRO 64 -5.519 13.148 -5.931 479 1HG PRO 64 1HG PRO 64 -6.788 14.521 -8.221 480 2HG PRO 64 2HG PRO 64 -5.582 15.132 -7.105 481 1HD PRO 64 1HD PRO 64 -5.136 14.248 -9.797 482 2HD PRO 64 2HD PRO 64 -3.916 14.749 -8.643 483 H GLY 65 H GLY 65 -5.632 9.436 -7.213 484 1HA GLY 65 1HA GLY 65 -8.053 8.968 -8.424 485 2HA GLY 65 2HA GLY 65 -6.869 8.771 -9.701 486 H SER 66 H SER 66 -7.765 6.467 -9.591 487 HA SER 66 HA SER 66 -6.808 4.992 -7.315 488 1HB SER 66 1HB SER 66 -9.017 4.721 -8.964 489 2HB SER 66 2HB SER 66 -7.947 3.494 -9.612 490 HG SER 66 HG SER 66 -9.086 2.478 -7.973 491 H PHE 67 H PHE 67 -4.552 4.824 -7.434 492 HA PHE 67 HA PHE 67 -2.915 4.807 -9.514 493 1HB PHE 67 1HB PHE 67 -3.085 3.434 -6.851 494 2HB PHE 67 2HB PHE 67 -1.922 2.702 -7.939 495 HD1 PHE 67 HD1 PHE 67 -0.312 4.459 -9.135 496 HD2 PHE 67 HD2 PHE 67 -2.355 5.136 -5.478 497 HE1 PHE 67 HE1 PHE 67 1.370 6.218 -8.521 498 HE2 PHE 67 HE2 PHE 67 -0.673 6.895 -4.864 499 HZ PHE 67 HZ PHE 67 1.169 7.416 -6.393 500 H TYR 68 H TYR 68 -3.776 1.574 -8.116 501 HA TYR 68 HA TYR 68 -4.826 0.500 -10.464 502 1HB TYR 68 1HB TYR 68 -2.672 -0.940 -10.913 503 2HB TYR 68 2HB TYR 68 -2.613 0.728 -11.451 504 HD1 TYR 68 HD1 TYR 68 -1.539 -1.577 -8.738 505 HD2 TYR 68 HD2 TYR 68 -1.012 2.254 -10.567 506 HE1 TYR 68 HE1 TYR 68 0.561 -1.198 -7.356 507 HE2 TYR 68 HE2 TYR 68 1.086 2.621 -9.178 508 HH TYR 68 HH TYR 68 2.365 0.050 -7.132 509 H SER 69 H SER 69 -4.616 -2.063 -10.371 510 HA SER 69 HA SER 69 -4.717 -2.753 -7.538 511 1HB SER 69 1HB SER 69 -6.284 -4.668 -8.704 512 2HB SER 69 2HB SER 69 -6.906 -3.185 -8.011 513 HG SER 69 HG SER 69 -7.243 -3.966 -10.492 514 H VAL 70 H VAL 70 -4.222 -5.127 -7.092 515 HA VAL 70 HA VAL 70 -2.775 -6.501 -9.174 516 HB VAL 70 HB VAL 70 -0.770 -6.728 -7.632 517 1HG1 VAL 70 1HG1 VAL 70 -1.201 -5.120 -9.733 518 2HG1 VAL 70 2HG1 VAL 70 -0.915 -3.875 -8.493 519 3HG1 VAL 70 3HG1 VAL 70 0.324 -5.111 -8.816 520 1HG2 VAL 70 1HG2 VAL 70 -2.019 -5.713 -5.652 521 2HG2 VAL 70 2HG2 VAL 70 -0.366 -5.120 -5.940 522 3HG2 VAL 70 3HG2 VAL 70 -1.763 -4.133 -6.430 523 H THR 71 H THR 71 -2.872 -8.718 -8.882 524 HA THR 71 HA THR 71 -4.391 -9.573 -6.532 525 HB THR 71 HB THR 71 -3.878 -10.650 -9.334 526 HG1 THR 71 HG1 THR 71 -6.220 -10.462 -9.235 527 1HG2 THR 71 1HG2 THR 71 -4.504 -12.179 -6.854 528 2HG2 THR 71 2HG2 THR 71 -5.702 -12.383 -8.156 529 3HG2 THR 71 3HG2 THR 71 -3.990 -12.778 -8.449 530 H LEU 72 H LEU 72 -3.743 -11.284 -5.180 531 HA LEU 72 HA LEU 72 -0.906 -11.982 -5.456 532 1HB LEU 72 1HB LEU 72 -2.403 -11.094 -2.996 533 2HB LEU 72 2HB LEU 72 -0.889 -11.972 -2.918 534 HG LEU 72 HG LEU 72 -0.473 -9.800 -4.700 535 1HD1 LEU 72 1HD1 LEU 72 -1.857 -8.951 -2.142 536 2HD1 LEU 72 2HD1 LEU 72 -0.977 -7.870 -3.249 537 3HD1 LEU 72 3HD1 LEU 72 -2.445 -8.711 -3.805 538 1HD2 LEU 72 1HD2 LEU 72 1.040 -11.051 -2.990 539 2HD2 LEU 72 2HD2 LEU 72 1.330 -9.329 -3.332 540 3HD2 LEU 72 3HD2 LEU 72 0.471 -9.811 -1.849 541 H GLY 73 H GLY 73 -0.442 -13.974 -3.904 542 1HA GLY 73 1HA GLY 73 -2.736 -15.784 -3.784 543 2HA GLY 73 2HA GLY 73 -1.408 -16.233 -4.835 544 H THR 74 H THR 74 0.831 -15.274 -3.368 545 HA THR 74 HA THR 74 1.274 -17.382 -1.612 546 HB THR 74 HB THR 74 2.583 -14.728 -2.268 547 HG1 THR 74 HG1 THR 74 3.357 -16.329 -3.599 548 1HG2 THR 74 1HG2 THR 74 2.933 -15.253 0.248 549 2HG2 THR 74 2HG2 THR 74 3.732 -16.751 -0.287 550 3HG2 THR 74 3HG2 THR 74 4.409 -15.170 -0.743 551 HA PRO 75 HA PRO 75 -0.888 -16.015 1.880 552 1HB PRO 75 1HB PRO 75 -0.384 -18.178 3.473 553 2HB PRO 75 2HB PRO 75 -1.691 -18.131 2.307 554 1HG PRO 75 1HG PRO 75 0.893 -19.556 2.137 555 2HG PRO 75 2HG PRO 75 -0.571 -19.825 1.212 556 1HD PRO 75 1HD PRO 75 1.803 -18.488 0.317 557 2HD PRO 75 2HD PRO 75 0.299 -18.656 -0.566 558 H GLY 76 H GLY 76 -0.552 -14.884 3.770 559 1HA GLY 76 1HA GLY 76 1.246 -14.971 5.631 560 2HA GLY 76 2HA GLY 76 2.313 -14.508 4.319 561 H THR 77 H THR 77 2.404 -12.668 6.163 562 HA THR 77 HA THR 77 0.341 -10.667 5.549 563 HB THR 77 HB THR 77 2.140 -11.278 7.916 564 HG1 THR 77 HG1 THR 77 -0.616 -10.344 7.567 565 1HG2 THR 77 1HG2 THR 77 0.806 -8.614 7.219 566 2HG2 THR 77 2HG2 THR 77 1.220 -9.084 8.885 567 3HG2 THR 77 3HG2 THR 77 2.507 -8.880 7.673 568 H TYR 78 H TYR 78 0.784 -8.974 4.287 569 HA TYR 78 HA TYR 78 3.618 -8.538 3.651 570 1HB TYR 78 1HB TYR 78 0.937 -7.844 2.296 571 2HB TYR 78 2HB TYR 78 2.492 -7.387 1.630 572 HD1 TYR 78 HD1 TYR 78 0.777 -10.492 2.874 573 HD2 TYR 78 HD2 TYR 78 3.354 -8.729 -0.050 574 HE1 TYR 78 HE1 TYR 78 0.910 -12.712 1.642 575 HE2 TYR 78 HE2 TYR 78 3.477 -10.955 -1.272 576 HH TYR 78 HH TYR 78 2.044 -12.972 -1.482 577 H SER 79 H SER 79 4.563 -6.517 3.901 578 HA SER 79 HA SER 79 2.811 -4.533 5.132 579 1HB SER 79 1HB SER 79 4.452 -5.383 6.739 580 2HB SER 79 2HB SER 79 5.766 -5.106 5.615 581 HG SER 79 HG SER 79 4.146 -3.146 6.979 582 H PHE 80 H PHE 80 3.702 -2.192 4.820 583 HA PHE 80 HA PHE 80 5.412 -1.767 2.588 584 1HB PHE 80 1HB PHE 80 3.442 -0.538 1.360 585 2HB PHE 80 2HB PHE 80 3.454 -2.288 1.265 586 HD1 PHE 80 HD1 PHE 80 1.776 0.625 2.701 587 HD2 PHE 80 HD2 PHE 80 1.807 -3.613 2.469 588 HE1 PHE 80 HE1 PHE 80 -0.542 0.555 3.660 589 HE2 PHE 80 HE2 PHE 80 -0.511 -3.682 3.428 590 HZ PHE 80 HZ PHE 80 -1.658 -1.598 4.011 591 H TYR 81 H TYR 81 4.979 0.781 1.889 592 HA TYR 81 HA TYR 81 4.093 2.439 4.012 593 1HB TYR 81 1HB TYR 81 6.403 3.258 4.600 594 2HB TYR 81 2HB TYR 81 6.266 1.544 4.941 595 HD1 TYR 81 HD1 TYR 81 7.389 3.894 2.248 596 HD2 TYR 81 HD2 TYR 81 7.866 0.065 4.094 597 HE1 TYR 81 HE1 TYR 81 9.418 3.435 0.787 598 HE2 TYR 81 HE2 TYR 81 9.894 -0.382 2.626 599 HH TYR 81 HH TYR 81 11.595 1.802 1.193 600 H CYS 82 H CYS 82 4.545 4.788 3.529 601 HA CYS 82 HA CYS 82 4.426 5.130 0.667 602 1HB CYS 82 1HB CYS 82 3.113 6.314 2.777 603 2HB CYS 82 2HB CYS 82 4.301 7.531 2.351 604 H THR 83 H THR 83 5.900 6.545 -0.500 605 HA THR 83 HA THR 83 8.567 6.476 0.554 606 HB THR 83 HB THR 83 7.163 6.852 -2.018 607 HG1 THR 83 HG1 THR 83 9.463 6.017 -2.527 608 1HG2 THR 83 1HG2 THR 83 8.230 9.156 -1.760 609 2HG2 THR 83 2HG2 THR 83 9.797 8.341 -1.539 610 3HG2 THR 83 3HG2 THR 83 8.924 8.190 -3.084 611 HA PRO 84 HA PRO 84 7.925 11.127 0.658 612 1HB PRO 84 1HB PRO 84 5.470 12.217 0.153 613 2HB PRO 84 2HB PRO 84 6.720 12.065 -1.066 614 1HG PRO 84 1HG PRO 84 4.260 10.461 -0.721 615 2HG PRO 84 2HG PRO 84 5.282 10.613 -2.137 616 1HD PRO 84 1HD PRO 84 5.196 8.402 -0.311 617 2HD PRO 84 2HD PRO 84 6.297 8.606 -1.658 618 H HIS 85 H HIS 85 5.256 9.223 1.792 619 HA HIS 85 HA HIS 85 5.313 10.824 4.240 620 1HB HIS 85 1HB HIS 85 3.155 8.901 3.343 621 2HB HIS 85 2HB HIS 85 3.084 10.028 4.683 622 HD2 HIS 85 HD2 HIS 85 3.567 12.878 3.516 623 HE1 HIS 85 HE1 HIS 85 1.115 11.838 0.197 624 HE2 HIS 85 HE2 HIS 85 2.166 13.757 1.578 625 H ARG 86 H ARG 86 7.448 9.582 4.570 626 HA ARG 86 HA ARG 86 6.901 6.877 5.448 627 1HB ARG 86 1HB ARG 86 9.358 6.584 5.442 628 2HB ARG 86 2HB ARG 86 8.831 7.232 3.901 629 1HG ARG 86 1HG ARG 86 9.399 9.555 4.729 630 2HG ARG 86 2HG ARG 86 10.016 8.846 6.209 631 1HD ARG 86 1HD ARG 86 11.499 7.368 4.581 632 2HD ARG 86 2HD ARG 86 11.127 8.604 3.395 633 HE ARG 86 HE ARG 86 11.974 9.894 5.808 634 1HH1 ARG 86 2HH1 ARG 86 13.277 7.924 3.200 635 2HH1 ARG 86 1HH1 ARG 86 14.878 8.572 3.338 636 1HH2 ARG 86 1HH2 ARG 86 14.085 10.750 5.990 637 2HH2 ARG 86 2HH2 ARG 86 15.340 10.189 4.936 638 H GLY 87 H GLY 87 7.709 10.142 6.539 639 1HA GLY 87 1HA GLY 87 8.338 9.195 9.247 640 2HA GLY 87 2HA GLY 87 8.602 10.802 8.602 641 H ALA 88 H ALA 88 5.787 10.632 7.274 642 HA ALA 88 HA ALA 88 4.427 11.958 9.359 643 1HB ALA 88 1HB ALA 88 4.243 12.193 6.778 644 2HB ALA 88 2HB ALA 88 3.139 10.802 6.877 645 3HB ALA 88 3HB ALA 88 2.750 12.308 7.740 646 H GLY 89 H GLY 89 5.038 8.652 8.768 647 1HA GLY 89 1HA GLY 89 4.372 6.869 10.014 648 2HA GLY 89 2HA GLY 89 3.200 7.873 10.846 649 H MET 90 H MET 90 3.748 6.928 7.370 650 HA MET 90 HA MET 90 0.928 6.170 7.337 651 1HB MET 90 1HB MET 90 1.447 8.130 5.890 652 2HB MET 90 2HB MET 90 2.754 7.252 5.120 653 1HG MET 90 1HG MET 90 1.316 5.956 3.827 654 2HG MET 90 2HG MET 90 0.058 5.933 5.045 655 1HE MET 90 1HE MET 90 -0.551 5.964 2.432 656 2HE MET 90 2HE MET 90 -1.733 7.265 2.154 657 3HE MET 90 3HE MET 90 -0.125 7.348 1.398 658 H VAL 91 H VAL 91 1.613 4.003 8.113 659 HA VAL 91 HA VAL 91 2.697 2.426 5.886 660 HB VAL 91 HB VAL 91 3.687 0.957 7.680 661 1HG1 VAL 91 1HG1 VAL 91 4.629 3.616 6.788 662 2HG1 VAL 91 2HG1 VAL 91 5.478 2.946 8.203 663 3HG1 VAL 91 3HG1 VAL 91 5.413 2.022 6.682 664 1HG2 VAL 91 1HG2 VAL 91 2.337 1.898 9.558 665 2HG2 VAL 91 2HG2 VAL 91 4.087 1.871 9.880 666 3HG2 VAL 91 3HG2 VAL 91 3.287 3.398 9.440 667 H GLY 92 H GLY 92 1.822 0.268 5.692 668 1HA GLY 92 1HA GLY 92 -0.525 -0.293 7.372 669 2HA GLY 92 2HA GLY 92 -0.725 -0.184 5.634 670 H THR 93 H THR 93 -1.469 -2.543 6.214 671 HA THR 93 HA THR 93 0.702 -4.274 5.425 672 HB THR 93 HB THR 93 -0.816 -5.088 7.917 673 HG1 THR 93 HG1 THR 93 0.140 -3.321 8.852 674 1HG2 THR 93 1HG2 THR 93 0.816 -6.663 6.787 675 2HG2 THR 93 2HG2 THR 93 2.093 -5.445 7.022 676 3HG2 THR 93 3HG2 THR 93 1.323 -6.211 8.432 677 H ILE 94 H ILE 94 -0.071 -6.450 4.810 678 HA ILE 94 HA ILE 94 -2.957 -6.518 4.365 679 HB ILE 94 HB ILE 94 -0.821 -6.719 2.249 680 1HG1 ILE 94 1HG1 ILE 94 -3.275 -5.148 1.795 681 2HG1 ILE 94 2HG1 ILE 94 -2.279 -4.558 3.111 682 1HG2 ILE 94 1HG2 ILE 94 -3.718 -7.592 2.086 683 2HG2 ILE 94 2HG2 ILE 94 -2.629 -7.387 0.693 684 3HG2 ILE 94 3HG2 ILE 94 -2.273 -8.619 1.927 685 1HD1 ILE 94 1HD1 ILE 94 -0.317 -5.021 1.290 686 2HD1 ILE 94 2HD1 ILE 94 -1.674 -4.701 0.183 687 3HD1 ILE 94 3HD1 ILE 94 -1.198 -3.477 1.384 688 H THR 95 H THR 95 -3.803 -8.682 4.080 689 HA THR 95 HA THR 95 -1.876 -10.796 4.758 690 HB THR 95 HB THR 95 -4.661 -10.665 5.973 691 HG1 THR 95 HG1 THR 95 -3.280 -8.656 6.313 692 1HG2 THR 95 1HG2 THR 95 -3.202 -12.735 6.248 693 2HG2 THR 95 2HG2 THR 95 -1.979 -11.704 7.030 694 3HG2 THR 95 3HG2 THR 95 -3.576 -11.922 7.787 695 H VAL 96 H VAL 96 -2.146 -12.736 3.729 696 HA VAL 96 HA VAL 96 -4.480 -12.884 1.951 697 HB VAL 96 HB VAL 96 -1.579 -13.502 1.385 698 1HG1 VAL 96 1HG1 VAL 96 -3.217 -15.292 0.581 699 2HG1 VAL 96 2HG1 VAL 96 -3.874 -14.050 -0.511 700 3HG1 VAL 96 3HG1 VAL 96 -2.170 -14.549 -0.652 701 1HG2 VAL 96 1HG2 VAL 96 -3.516 -11.399 0.557 702 2HG2 VAL 96 2HG2 VAL 96 -1.752 -11.315 0.781 703 3HG2 VAL 96 3HG2 VAL 96 -2.428 -12.027 -0.704 704 H GLU 97 H GLU 97 -5.595 -14.161 3.533 705 HA GLU 97 HA GLU 97 -4.286 -16.554 4.412 706 1HB GLU 97 1HB GLU 97 -6.734 -15.027 5.119 707 2HB GLU 97 2HB GLU 97 -6.914 -16.765 5.248 708 1HG GLU 97 1HG GLU 97 -4.358 -16.147 6.373 709 2HG GLU 97 2HG GLU 97 -5.471 -14.948 7.003 Start of MODEL 2 1 H ALA 1 H ALA 1 -15.700 -10.659 -4.384 2 HA ALA 1 HA ALA 1 -14.098 -10.548 -2.259 3 1HB ALA 1 1HB ALA 1 -14.547 -12.310 -4.460 4 2HB ALA 1 2HB ALA 1 -12.788 -12.213 -4.207 5 3HB ALA 1 3HB ALA 1 -13.854 -12.696 -2.867 6 H SER 2 H SER 2 -13.439 -8.120 -2.708 7 HA SER 2 HA SER 2 -10.659 -8.247 -3.295 8 1HB SER 2 1HB SER 2 -12.595 -7.023 -5.214 9 2HB SER 2 2HB SER 2 -11.181 -6.053 -4.851 10 HG SER 2 HG SER 2 -10.543 -8.730 -5.314 11 H VAL 3 H VAL 3 -9.543 -6.214 -2.606 12 HA VAL 3 HA VAL 3 -11.278 -4.521 -0.949 13 HB VAL 3 HB VAL 3 -9.225 -4.435 0.591 14 1HG1 VAL 3 1HG1 VAL 3 -10.916 -6.951 0.395 15 2HG1 VAL 3 2HG1 VAL 3 -9.978 -6.451 1.823 16 3HG1 VAL 3 3HG1 VAL 3 -11.335 -5.450 1.254 17 1HG2 VAL 3 1HG2 VAL 3 -8.593 -6.902 -1.049 18 2HG2 VAL 3 2HG2 VAL 3 -7.550 -5.500 -0.711 19 3HG2 VAL 3 3HG2 VAL 3 -7.956 -6.643 0.593 20 H GLN 4 H GLN 4 -9.768 -2.501 -0.215 21 HA GLN 4 HA GLN 4 -8.108 -1.738 -2.452 22 1HB GLN 4 1HB GLN 4 -9.401 0.598 -2.245 23 2HB GLN 4 2HB GLN 4 -9.956 -0.665 -3.325 24 1HG GLN 4 1HG GLN 4 -11.846 -1.060 -2.095 25 2HG GLN 4 2HG GLN 4 -10.985 -0.988 -0.570 26 1HE2 GLN 4 2HE2 GLN 4 -10.710 0.948 0.501 27 2HE2 GLN 4 1HE2 GLN 4 -11.613 2.380 0.135 28 H ILE 5 H ILE 5 -6.579 -0.037 -1.925 29 HA ILE 5 HA ILE 5 -6.403 0.426 0.971 30 HB ILE 5 HB ILE 5 -4.361 -0.216 -1.111 31 1HG1 ILE 5 1HG1 ILE 5 -5.225 -1.994 0.332 32 2HG1 ILE 5 2HG1 ILE 5 -3.519 -1.707 0.615 33 1HG2 ILE 5 1HG2 ILE 5 -4.054 1.808 1.012 34 2HG2 ILE 5 2HG2 ILE 5 -2.786 0.558 0.966 35 3HG2 ILE 5 3HG2 ILE 5 -3.118 1.543 -0.478 36 1HD1 ILE 5 1HD1 ILE 5 -5.020 0.037 2.363 37 2HD1 ILE 5 2HD1 ILE 5 -5.658 -1.618 2.518 38 3HD1 ILE 5 3HD1 ILE 5 -3.929 -1.300 2.801 39 H LYS 6 H LYS 6 -7.060 2.445 1.472 40 HA LYS 6 HA LYS 6 -6.778 4.513 -0.549 41 1HB LYS 6 1HB LYS 6 -8.532 3.999 1.757 42 2HB LYS 6 2HB LYS 6 -7.999 5.664 1.638 43 1HG LYS 6 1HG LYS 6 -8.783 5.792 -0.704 44 2HG LYS 6 2HG LYS 6 -9.215 4.093 -0.682 45 1HD LYS 6 1HD LYS 6 -10.747 4.704 1.348 46 2HD LYS 6 2HD LYS 6 -10.512 6.372 0.862 47 1HE LYS 6 1HE LYS 6 -11.178 5.381 -1.559 48 2HE LYS 6 2HE LYS 6 -11.965 4.157 -0.582 49 1HZ LYS 6 1HZ LYS 6 -12.402 6.884 0.233 50 2HZ LYS 6 2HZ LYS 6 -13.086 6.451 -1.185 51 3HZ LYS 6 3HZ LYS 6 -13.448 5.632 0.181 52 H MET 7 H MET 7 -5.231 6.074 -0.508 53 HA MET 7 HA MET 7 -3.446 5.982 1.781 54 1HB MET 7 1HB MET 7 -3.111 7.197 -1.019 55 2HB MET 7 2HB MET 7 -1.854 7.154 0.202 56 1HG MET 7 1HG MET 7 -1.253 5.089 -0.522 57 2HG MET 7 2HG MET 7 -2.813 4.472 -0.014 58 1HE MET 7 1HE MET 7 -0.528 4.290 -2.563 59 2HE MET 7 2HE MET 7 -1.268 4.648 -4.141 60 3HE MET 7 3HE MET 7 -0.755 5.980 -3.078 61 H GLY 8 H GLY 8 -4.273 7.383 3.331 62 1HA GLY 8 1HA GLY 8 -3.974 9.722 3.951 63 2HA GLY 8 2HA GLY 8 -4.730 10.167 2.435 64 H THR 9 H THR 9 -5.559 10.826 5.229 65 HA THR 9 HA THR 9 -8.191 9.498 5.219 66 HB THR 9 HB THR 9 -8.123 10.042 7.711 67 HG1 THR 9 HG1 THR 9 -6.502 11.528 8.039 68 1HG2 THR 9 1HG2 THR 9 -6.936 7.887 6.443 69 2HG2 THR 9 2HG2 THR 9 -5.548 8.587 7.309 70 3HG2 THR 9 3HG2 THR 9 -6.999 8.086 8.211 71 H ASP 10 H ASP 10 -10.040 10.807 5.856 72 HA ASP 10 HA ASP 10 -10.115 13.149 4.430 73 1HB ASP 10 1HB ASP 10 -12.047 11.653 5.262 74 2HB ASP 10 2HB ASP 10 -11.902 12.469 6.805 75 H LYS 11 H LYS 11 -8.791 12.428 7.549 76 HA LYS 11 HA LYS 11 -9.157 15.121 8.568 77 1HB LYS 11 1HB LYS 11 -9.182 12.723 9.817 78 2HB LYS 11 2HB LYS 11 -7.490 13.133 10.021 79 1HG LYS 11 1HG LYS 11 -7.951 14.798 11.517 80 2HG LYS 11 2HG LYS 11 -9.257 15.438 10.541 81 1HD LYS 11 1HD LYS 11 -10.290 12.995 11.456 82 2HD LYS 11 2HD LYS 11 -9.368 13.574 12.829 83 1HE LYS 11 1HE LYS 11 -10.823 15.299 13.239 84 2HE LYS 11 2HE LYS 11 -10.973 15.706 11.541 85 1HZ LYS 11 1HZ LYS 11 -12.382 13.679 11.353 86 2HZ LYS 11 2HZ LYS 11 -12.386 13.580 12.983 87 3HZ LYS 11 3HZ LYS 11 -13.031 14.885 12.243 88 H TYR 12 H TYR 12 -7.765 15.010 6.104 89 HA TYR 12 HA TYR 12 -5.793 15.429 5.123 90 1HB TYR 12 1HB TYR 12 -6.459 17.265 7.337 91 2HB TYR 12 2HB TYR 12 -4.720 17.213 7.126 92 HD1 TYR 12 HD1 TYR 12 -7.835 17.559 5.057 93 HD2 TYR 12 HD2 TYR 12 -3.749 18.697 5.624 94 HE1 TYR 12 HE1 TYR 12 -8.015 19.197 3.120 95 HE2 TYR 12 HE2 TYR 12 -3.942 20.330 3.686 96 HH TYR 12 HH TYR 12 -5.173 20.978 1.998 97 H ALA 13 H ALA 13 -5.721 13.143 7.079 98 HA ALA 13 HA ALA 13 -2.946 13.384 7.993 99 1HB ALA 13 1HB ALA 13 -5.263 12.500 9.270 100 2HB ALA 13 2HB ALA 13 -4.440 10.993 8.800 101 3HB ALA 13 3HB ALA 13 -3.591 12.197 9.800 102 HA PRO 14 HA PRO 14 -2.125 10.831 4.517 103 1HB PRO 14 1HB PRO 14 0.596 11.086 4.565 104 2HB PRO 14 2HB PRO 14 -0.459 12.219 3.742 105 1HG PRO 14 1HG PRO 14 0.977 12.550 6.305 106 2HG PRO 14 2HG PRO 14 0.281 13.780 5.269 107 1HD PRO 14 1HD PRO 14 -0.815 12.782 7.725 108 2HD PRO 14 2HD PRO 14 -1.566 13.928 6.631 109 H LEU 15 H LEU 15 -2.984 8.931 5.418 110 HA LEU 15 HA LEU 15 -0.816 7.227 6.356 111 1HB LEU 15 1HB LEU 15 -2.072 8.284 8.302 112 2HB LEU 15 2HB LEU 15 -3.457 7.333 7.802 113 HG LEU 15 HG LEU 15 -0.994 5.752 8.111 114 1HD1 LEU 15 1HD1 LEU 15 -0.866 7.602 9.909 115 2HD1 LEU 15 2HD1 LEU 15 -2.226 6.743 10.672 116 3HD1 LEU 15 3HD1 LEU 15 -0.678 5.904 10.411 117 1HD2 LEU 15 1HD2 LEU 15 -3.883 5.483 8.436 118 2HD2 LEU 15 2HD2 LEU 15 -2.646 4.257 8.066 119 3HD2 LEU 15 3HD2 LEU 15 -2.963 4.719 9.755 120 H TYR 16 H TYR 16 -1.704 4.843 6.460 121 HA TYR 16 HA TYR 16 -3.095 4.452 3.931 122 1HB TYR 16 1HB TYR 16 -1.257 2.994 5.849 123 2HB TYR 16 2HB TYR 16 -2.358 1.978 4.942 124 HD1 TYR 16 HD1 TYR 16 -2.462 2.956 2.285 125 HD2 TYR 16 HD2 TYR 16 0.878 2.980 4.960 126 HE1 TYR 16 HE1 TYR 16 -0.866 3.006 0.305 127 HE2 TYR 16 HE2 TYR 16 2.461 3.028 2.971 128 HH TYR 16 HH TYR 16 2.497 3.617 0.716 129 H GLU 17 H GLU 17 -5.187 3.792 3.786 130 HA GLU 17 HA GLU 17 -6.318 2.571 6.173 131 1HB GLU 17 1HB GLU 17 -6.913 5.104 5.722 132 2HB GLU 17 2HB GLU 17 -7.961 4.463 4.473 133 1HG GLU 17 1HG GLU 17 -9.168 3.081 6.110 134 2HG GLU 17 2HG GLU 17 -8.038 3.520 7.377 135 HA PRO 18 HA PRO 18 -7.716 1.505 6.723 136 1HB PRO 18 1HB PRO 18 -8.006 -1.159 7.259 137 2HB PRO 18 2HB PRO 18 -9.359 -0.092 6.942 138 1HG PRO 18 1HG PRO 18 -8.147 -2.125 5.171 139 2HG PRO 18 2HG PRO 18 -9.722 -1.367 5.053 140 1HD PRO 18 1HD PRO 18 -7.404 -0.766 3.473 141 2HD PRO 18 2HD PRO 18 -8.944 0.071 3.436 142 H LYS 19 H LYS 19 -6.359 1.165 8.530 143 HA LYS 19 HA LYS 19 -3.701 1.139 7.906 144 1HB LYS 19 1HB LYS 19 -4.950 1.777 10.082 145 2HB LYS 19 2HB LYS 19 -4.755 0.095 10.533 146 1HG LYS 19 1HG LYS 19 -2.407 0.244 10.635 147 2HG LYS 19 2HG LYS 19 -2.334 1.594 9.521 148 1HD LYS 19 1HD LYS 19 -3.169 3.141 11.203 149 2HD LYS 19 2HD LYS 19 -3.581 1.832 12.293 150 1HE LYS 19 1HE LYS 19 -1.070 1.212 12.288 151 2HE LYS 19 2HE LYS 19 -0.788 2.736 11.470 152 1HZ LYS 19 1HZ LYS 19 -2.365 2.718 13.917 153 2HZ LYS 19 2HZ LYS 19 -0.738 2.622 14.018 154 3HZ LYS 19 3HZ LYS 19 -1.436 3.911 13.298 155 H ALA 20 H ALA 20 -5.892 -1.615 8.618 156 HA ALA 20 HA ALA 20 -3.709 -3.380 7.743 157 1HB ALA 20 1HB ALA 20 -5.272 -3.357 10.220 158 2HB ALA 20 2HB ALA 20 -5.401 -4.909 9.359 159 3HB ALA 20 3HB ALA 20 -3.802 -4.273 9.811 160 H LEU 21 H LEU 21 -4.399 -5.269 6.524 161 HA LEU 21 HA LEU 21 -7.180 -5.281 5.692 162 1HB LEU 21 1HB LEU 21 -6.476 -3.843 4.041 163 2HB LEU 21 2HB LEU 21 -4.874 -4.545 3.943 164 HG LEU 21 HG LEU 21 -5.818 -6.542 2.828 165 1HD1 LEU 21 1HD1 LEU 21 -8.218 -5.785 3.896 166 2HD1 LEU 21 2HD1 LEU 21 -8.400 -5.282 2.199 167 3HD1 LEU 21 3HD1 LEU 21 -8.002 -6.973 2.589 168 1HD2 LEU 21 1HD2 LEU 21 -5.261 -4.091 1.742 169 2HD2 LEU 21 2HD2 LEU 21 -5.557 -5.585 0.821 170 3HD2 LEU 21 3HD2 LEU 21 -6.882 -4.426 1.089 171 H SER 22 H SER 22 -7.893 -7.335 5.032 172 HA SER 22 HA SER 22 -5.827 -9.386 5.113 173 1HB SER 22 1HB SER 22 -7.178 -9.254 7.264 174 2HB SER 22 2HB SER 22 -8.607 -9.662 6.336 175 HG SER 22 HG SER 22 -6.798 -11.501 5.650 176 H ILE 23 H ILE 23 -6.158 -11.164 3.663 177 HA ILE 23 HA ILE 23 -8.614 -11.313 2.182 178 HB ILE 23 HB ILE 23 -7.624 -10.961 0.000 179 1HG1 ILE 23 1HG1 ILE 23 -5.133 -9.847 1.276 180 2HG1 ILE 23 2HG1 ILE 23 -5.250 -11.553 0.892 181 1HG2 ILE 23 1HG2 ILE 23 -8.717 -9.095 1.244 182 2HG2 ILE 23 2HG2 ILE 23 -7.103 -8.559 1.768 183 3HG2 ILE 23 3HG2 ILE 23 -7.520 -8.567 0.038 184 1HD1 ILE 23 1HD1 ILE 23 -6.062 -9.597 -1.247 185 2HD1 ILE 23 2HD1 ILE 23 -4.327 -9.778 -0.893 186 3HD1 ILE 23 3HD1 ILE 23 -5.284 -11.189 -1.404 187 H SER 24 H SER 24 -7.955 -13.021 0.178 188 HA SER 24 HA SER 24 -6.502 -15.117 1.597 189 1HB SER 24 1HB SER 24 -8.062 -16.680 0.202 190 2HB SER 24 2HB SER 24 -8.716 -15.899 1.628 191 HG SER 24 HG SER 24 -8.961 -14.789 -1.034 192 H ALA 25 H ALA 25 -5.775 -16.926 -0.077 193 HA ALA 25 HA ALA 25 -4.095 -15.653 -1.947 194 1HB ALA 25 1HB ALA 25 -4.229 -18.101 -0.647 195 2HB ALA 25 2HB ALA 25 -4.576 -18.530 -2.339 196 3HB ALA 25 3HB ALA 25 -3.073 -17.669 -1.928 197 H GLY 26 H GLY 26 -4.937 -14.598 -3.694 198 1HA GLY 26 1HA GLY 26 -5.647 -15.211 -5.984 199 2HA GLY 26 2HA GLY 26 -7.006 -16.036 -5.246 200 H ASP 27 H ASP 27 -6.600 -13.532 -3.161 201 HA ASP 27 HA ASP 27 -8.740 -12.097 -4.357 202 1HB ASP 27 1HB ASP 27 -7.141 -11.856 -1.787 203 2HB ASP 27 2HB ASP 27 -8.249 -10.579 -2.250 204 H THR 28 H THR 28 -8.473 -9.479 -4.124 205 HA THR 28 HA THR 28 -5.808 -8.742 -5.130 206 HB THR 28 HB THR 28 -8.450 -7.630 -6.186 207 HG1 THR 28 HG1 THR 28 -6.682 -9.700 -7.272 208 1HG2 THR 28 1HG2 THR 28 -5.647 -7.862 -7.404 209 2HG2 THR 28 2HG2 THR 28 -7.061 -7.092 -8.162 210 3HG2 THR 28 3HG2 THR 28 -6.324 -6.366 -6.714 211 H VAL 29 H VAL 29 -5.174 -6.526 -4.756 212 HA VAL 29 HA VAL 29 -6.773 -5.227 -2.672 213 HB VAL 29 HB VAL 29 -3.785 -5.699 -2.650 214 1HG1 VAL 29 1HG1 VAL 29 -5.576 -3.923 -1.013 215 2HG1 VAL 29 2HG1 VAL 29 -4.147 -4.671 -0.260 216 3HG1 VAL 29 3HG1 VAL 29 -3.952 -3.607 -1.673 217 1HG2 VAL 29 1HG2 VAL 29 -6.001 -6.755 -0.861 218 2HG2 VAL 29 2HG2 VAL 29 -5.011 -7.694 -2.005 219 3HG2 VAL 29 3HG2 VAL 29 -4.258 -6.965 -0.567 220 H GLU 30 H GLU 30 -7.546 -3.495 -3.812 221 HA GLU 30 HA GLU 30 -5.931 -2.281 -5.802 222 1HB GLU 30 1HB GLU 30 -8.480 -2.480 -5.823 223 2HB GLU 30 2HB GLU 30 -8.523 -1.228 -4.599 224 1HG GLU 30 1HG GLU 30 -7.693 0.431 -6.065 225 2HG GLU 30 2HG GLU 30 -6.942 -0.739 -7.132 226 H PHE 31 H PHE 31 -5.776 0.288 -5.741 227 HA PHE 31 HA PHE 31 -5.288 1.249 -3.049 228 1HB PHE 31 1HB PHE 31 -3.259 0.951 -5.334 229 2HB PHE 31 2HB PHE 31 -2.985 2.076 -4.020 230 HD1 PHE 31 HD1 PHE 31 -3.650 -1.527 -4.677 231 HD2 PHE 31 HD2 PHE 31 -1.932 1.351 -2.075 232 HE1 PHE 31 HE1 PHE 31 -2.629 -3.371 -3.313 233 HE2 PHE 31 HE2 PHE 31 -0.911 -0.493 -0.711 234 HZ PHE 31 HZ PHE 31 -1.272 -2.830 -1.346 235 H VAL 32 H VAL 32 -6.271 3.206 -2.931 236 HA VAL 32 HA VAL 32 -6.227 4.849 -5.369 237 HB VAL 32 HB VAL 32 -8.438 3.801 -4.808 238 1HG1 VAL 32 1HG1 VAL 32 -7.818 4.900 -2.210 239 2HG1 VAL 32 2HG1 VAL 32 -9.349 5.579 -2.812 240 3HG1 VAL 32 3HG1 VAL 32 -9.144 3.815 -2.693 241 1HG2 VAL 32 1HG2 VAL 32 -8.008 6.774 -4.995 242 2HG2 VAL 32 2HG2 VAL 32 -8.621 5.636 -6.219 243 3HG2 VAL 32 3HG2 VAL 32 -9.656 6.117 -4.852 244 H MET 33 H MET 33 -6.099 7.171 -5.012 245 HA MET 33 HA MET 33 -4.646 7.705 -2.569 246 1HB MET 33 1HB MET 33 -4.475 8.531 -5.327 247 2HB MET 33 2HB MET 33 -4.855 9.971 -4.403 248 1HG MET 33 1HG MET 33 -2.928 9.504 -2.874 249 2HG MET 33 2HG MET 33 -2.550 8.058 -3.789 250 1HE MET 33 1HE MET 33 -3.533 11.559 -3.980 251 2HE MET 33 2HE MET 33 -1.961 12.316 -4.337 252 3HE MET 33 3HE MET 33 -3.138 12.048 -5.646 253 H ASN 34 H ASN 34 -5.634 8.675 -0.854 254 HA ASN 34 HA ASN 34 -8.267 9.645 -1.168 255 1HB ASN 34 1HB ASN 34 -6.410 9.002 1.025 256 2HB ASN 34 2HB ASN 34 -7.276 10.489 1.359 257 1HD2 ASN 34 2HD2 ASN 34 -9.273 10.402 2.096 258 2HD2 ASN 34 1HD2 ASN 34 -10.292 9.003 2.162 259 H LYS 35 H LYS 35 -5.232 11.147 0.206 260 HA LYS 35 HA LYS 35 -5.377 13.437 -1.410 261 1HB LYS 35 1HB LYS 35 -6.165 15.105 0.110 262 2HB LYS 35 2HB LYS 35 -7.396 13.866 -0.015 263 1HG LYS 35 1HG LYS 35 -5.723 12.995 2.100 264 2HG LYS 35 2HG LYS 35 -5.866 14.726 2.335 265 1HD LYS 35 1HD LYS 35 -8.471 13.641 1.628 266 2HD LYS 35 2HD LYS 35 -7.802 12.708 2.952 267 1HE LYS 35 1HE LYS 35 -8.525 14.375 4.323 268 2HE LYS 35 2HE LYS 35 -7.197 15.333 3.700 269 1HZ LYS 35 1HZ LYS 35 -9.661 15.228 2.165 270 2HZ LYS 35 2HZ LYS 35 -9.617 16.161 3.505 271 3HZ LYS 35 3HZ LYS 35 -8.567 16.434 2.284 272 H VAL 36 H VAL 36 -4.092 15.296 0.277 273 HA VAL 36 HA VAL 36 -1.985 15.773 0.808 274 HB VAL 36 HB VAL 36 -2.923 15.074 2.937 275 1HG1 VAL 36 1HG1 VAL 36 -1.946 12.317 2.138 276 2HG1 VAL 36 2HG1 VAL 36 -2.378 12.763 3.806 277 3HG1 VAL 36 3HG1 VAL 36 -3.609 12.823 2.521 278 1HG2 VAL 36 1HG2 VAL 36 -0.444 15.701 2.609 279 2HG2 VAL 36 2HG2 VAL 36 -0.909 14.908 4.133 280 3HG2 VAL 36 3HG2 VAL 36 -0.113 13.969 2.848 281 H GLY 37 H GLY 37 -1.823 14.714 -1.605 282 1HA GLY 37 1HA GLY 37 -0.084 12.372 -1.584 283 2HA GLY 37 2HA GLY 37 -0.778 13.178 -2.976 284 HA PRO 38 HA PRO 38 0.526 12.432 -4.154 285 1HB PRO 38 1HB PRO 38 2.781 11.395 -5.298 286 2HB PRO 38 2HB PRO 38 1.884 12.733 -5.988 287 1HG PRO 38 1HG PRO 38 4.463 12.778 -4.544 288 2HG PRO 38 2HG PRO 38 3.771 14.000 -5.592 289 1HD PRO 38 1HD PRO 38 3.865 14.050 -2.725 290 2HD PRO 38 2HD PRO 38 3.072 15.213 -3.768 291 H HIS 39 H HIS 39 1.416 9.927 -4.640 292 HA HIS 39 HA HIS 39 2.316 8.936 -2.074 293 1HB HIS 39 1HB HIS 39 -0.331 8.132 -3.312 294 2HB HIS 39 2HB HIS 39 0.452 7.271 -2.002 295 HD2 HIS 39 HD2 HIS 39 -1.371 10.719 -2.603 296 HE1 HIS 39 HE1 HIS 39 -1.015 10.088 1.590 297 HE2 HIS 39 HE2 HIS 39 -1.960 11.600 -0.286 298 H ASN 40 H ASN 40 1.983 6.204 -2.524 299 HA ASN 40 HA ASN 40 2.435 5.292 -5.036 300 1HB ASN 40 1HB ASN 40 5.044 4.857 -4.702 301 2HB ASN 40 2HB ASN 40 4.496 6.366 -5.404 302 1HD2 ASN 40 2HD2 ASN 40 6.722 6.892 -4.586 303 2HD2 ASN 40 1HD2 ASN 40 6.864 7.561 -2.994 304 H VAL 41 H VAL 41 3.583 2.997 -4.909 305 HA VAL 41 HA VAL 41 3.025 1.896 -2.246 306 HB VAL 41 HB VAL 41 3.020 0.533 -4.946 307 1HG1 VAL 41 1HG1 VAL 41 3.538 -0.885 -2.919 308 2HG1 VAL 41 2HG1 VAL 41 1.914 -0.481 -2.311 309 3HG1 VAL 41 3HG1 VAL 41 2.096 -1.372 -3.841 310 1HG2 VAL 41 1HG2 VAL 41 0.823 1.807 -3.322 311 2HG2 VAL 41 2HG2 VAL 41 1.166 1.944 -5.062 312 3HG2 VAL 41 3HG2 VAL 41 0.479 0.440 -4.408 313 H ILE 42 H ILE 42 4.849 1.592 -1.077 314 HA ILE 42 HA ILE 42 7.147 0.479 -2.518 315 HB ILE 42 HB ILE 42 7.429 2.472 -0.286 316 1HG1 ILE 42 1HG1 ILE 42 6.149 3.557 -2.082 317 2HG1 ILE 42 2HG1 ILE 42 7.754 4.238 -1.908 318 1HG2 ILE 42 1HG2 ILE 42 9.272 1.248 -2.334 319 2HG2 ILE 42 2HG2 ILE 42 9.673 2.765 -1.494 320 3HG2 ILE 42 3HG2 ILE 42 9.418 1.271 -0.560 321 1HD1 ILE 42 1HD1 ILE 42 7.986 2.063 -3.761 322 2HD1 ILE 42 2HD1 ILE 42 6.564 3.021 -4.240 323 3HD1 ILE 42 3HD1 ILE 42 8.156 3.805 -4.091 324 H PHE 43 H PHE 43 5.912 -1.512 -1.730 325 HA PHE 43 HA PHE 43 5.349 -2.223 0.760 326 1HB PHE 43 1HB PHE 43 6.943 -3.650 -1.440 327 2HB PHE 43 2HB PHE 43 6.432 -4.512 -0.003 328 HD1 PHE 43 HD1 PHE 43 3.984 -4.769 0.467 329 HD2 PHE 43 HD2 PHE 43 5.421 -3.203 -3.207 330 HE1 PHE 43 HE1 PHE 43 1.758 -5.226 -0.598 331 HE2 PHE 43 HE2 PHE 43 3.194 -3.661 -4.272 332 HZ PHE 43 HZ PHE 43 1.389 -4.667 -2.955 333 H ASP 44 H ASP 44 6.497 -3.446 2.484 334 HA ASP 44 HA ASP 44 9.055 -2.204 2.928 335 1HB ASP 44 1HB ASP 44 6.982 -2.584 4.601 336 2HB ASP 44 2HB ASP 44 7.769 -4.127 4.868 337 H LYS 45 H LYS 45 7.469 -5.478 2.896 338 HA LYS 45 HA LYS 45 9.351 -6.837 1.534 339 1HB LYS 45 1HB LYS 45 10.419 -6.117 4.122 340 2HB LYS 45 2HB LYS 45 10.284 -7.860 3.999 341 1HG LYS 45 1HG LYS 45 11.326 -7.438 1.562 342 2HG LYS 45 2HG LYS 45 11.898 -5.954 2.299 343 1HD LYS 45 1HD LYS 45 13.370 -7.050 3.710 344 2HD LYS 45 2HD LYS 45 12.311 -8.430 3.925 345 1HE LYS 45 1HE LYS 45 13.136 -9.541 2.060 346 2HE LYS 45 2HE LYS 45 13.423 -8.061 1.166 347 1HZ LYS 45 1HZ LYS 45 15.030 -8.728 3.516 348 2HZ LYS 45 2HZ LYS 45 15.409 -9.315 2.040 349 3HZ LYS 45 3HZ LYS 45 15.391 -7.703 2.298 350 H VAL 46 H VAL 46 8.881 -9.111 1.456 351 HA VAL 46 HA VAL 46 6.655 -9.914 3.188 352 HB VAL 46 HB VAL 46 5.628 -11.003 1.217 353 1HG1 VAL 46 1HG1 VAL 46 5.914 -8.037 1.488 354 2HG1 VAL 46 2HG1 VAL 46 5.058 -8.674 0.062 355 3HG1 VAL 46 3HG1 VAL 46 4.483 -9.075 1.699 356 1HG2 VAL 46 1HG2 VAL 46 8.093 -10.230 -0.038 357 2HG2 VAL 46 2HG2 VAL 46 6.766 -11.224 -0.687 358 3HG2 VAL 46 3HG2 VAL 46 6.737 -9.456 -0.894 359 HA PRO 47 HA PRO 47 8.916 -13.575 3.577 360 1HB PRO 47 1HB PRO 47 6.980 -15.451 4.022 361 2HB PRO 47 2HB PRO 47 7.553 -14.351 5.261 362 1HG PRO 47 1HG PRO 47 5.012 -14.281 3.751 363 2HG PRO 47 2HG PRO 47 5.419 -13.476 5.254 364 1HD PRO 47 1HD PRO 47 5.272 -12.281 2.650 365 2HD PRO 47 2HD PRO 47 5.791 -11.504 4.132 366 H ALA 48 H ALA 48 9.569 -15.682 2.733 367 HA ALA 48 HA ALA 48 9.855 -15.707 0.078 368 1HB ALA 48 1HB ALA 48 10.562 -17.360 2.062 369 2HB ALA 48 2HB ALA 48 9.243 -18.339 1.377 370 3HB ALA 48 3HB ALA 48 10.621 -17.864 0.356 371 H GLY 49 H GLY 49 8.677 -16.148 -1.764 372 1HA GLY 49 1HA GLY 49 6.752 -17.631 -2.508 373 2HA GLY 49 2HA GLY 49 5.815 -16.728 -1.334 374 H GLU 50 H GLU 50 6.394 -14.132 -1.550 375 HA GLU 50 HA GLU 50 5.835 -13.601 -4.354 376 1HB GLU 50 1HB GLU 50 4.528 -12.791 -1.992 377 2HB GLU 50 2HB GLU 50 5.386 -11.357 -2.519 378 1HG GLU 50 1HG GLU 50 4.019 -12.836 -4.713 379 2HG GLU 50 2HG GLU 50 2.933 -12.180 -3.505 380 H SER 51 H SER 51 6.423 -10.883 -4.531 381 HA SER 51 HA SER 51 9.224 -10.764 -3.742 382 1HB SER 51 1HB SER 51 8.293 -11.112 -6.384 383 2HB SER 51 2HB SER 51 8.690 -9.408 -6.289 384 HG SER 51 HG SER 51 10.698 -10.084 -6.624 385 H ALA 52 H ALA 52 8.355 -9.409 -1.961 386 HA ALA 52 HA ALA 52 6.780 -7.174 -2.325 387 1HB ALA 52 1HB ALA 52 8.567 -8.309 -0.286 388 2HB ALA 52 2HB ALA 52 8.502 -6.531 -0.241 389 3HB ALA 52 3HB ALA 52 7.002 -7.480 -0.098 390 HA PRO 53 HA PRO 53 10.803 -4.805 -3.110 391 1HB PRO 53 1HB PRO 53 13.131 -6.166 -3.553 392 2HB PRO 53 2HB PRO 53 12.681 -5.522 -1.986 393 1HG PRO 53 1HG PRO 53 12.632 -8.326 -2.920 394 2HG PRO 53 2HG PRO 53 12.601 -7.715 -1.278 395 1HD PRO 53 1HD PRO 53 10.377 -8.744 -2.768 396 2HD PRO 53 2HD PRO 53 10.326 -8.027 -1.169 397 H ALA 54 H ALA 54 8.922 -5.532 -4.863 398 HA ALA 54 HA ALA 54 10.365 -5.159 -7.305 399 1HB ALA 54 1HB ALA 54 10.019 -7.794 -6.535 400 2HB ALA 54 2HB ALA 54 8.596 -7.503 -7.565 401 3HB ALA 54 3HB ALA 54 10.231 -7.230 -8.210 402 H LEU 55 H LEU 55 7.269 -6.020 -5.651 403 HA LEU 55 HA LEU 55 5.664 -4.870 -7.685 404 1HB LEU 55 1HB LEU 55 5.262 -6.016 -4.969 405 2HB LEU 55 2HB LEU 55 4.012 -4.959 -5.594 406 HG LEU 55 HG LEU 55 5.042 -7.427 -7.021 407 1HD1 LEU 55 1HD1 LEU 55 3.892 -7.930 -4.868 408 2HD1 LEU 55 2HD1 LEU 55 2.444 -7.108 -5.497 409 3HD1 LEU 55 3HD1 LEU 55 3.057 -8.571 -6.303 410 1HD2 LEU 55 1HD2 LEU 55 3.751 -5.270 -8.114 411 2HD2 LEU 55 2HD2 LEU 55 3.728 -6.928 -8.762 412 3HD2 LEU 55 3HD2 LEU 55 2.398 -6.359 -7.725 413 H SER 56 H SER 56 7.403 -3.665 -4.856 414 HA SER 56 HA SER 56 5.946 -1.404 -4.356 415 1HB SER 56 1HB SER 56 8.479 -0.546 -3.824 416 2HB SER 56 2HB SER 56 7.565 -1.595 -2.758 417 HG SER 56 HG SER 56 9.228 -2.927 -3.007 418 H ASN 57 H ASN 57 5.197 -0.266 -6.185 419 HA ASN 57 HA ASN 57 7.047 0.380 -8.253 420 1HB ASN 57 1HB ASN 57 4.226 0.180 -8.011 421 2HB ASN 57 2HB ASN 57 4.514 1.887 -8.279 422 1HD2 ASN 57 2HD2 ASN 57 3.163 0.550 -10.142 423 2HD2 ASN 57 1HD2 ASN 57 4.094 0.297 -11.580 424 H THR 58 H THR 58 8.418 2.157 -8.070 425 HA THR 58 HA THR 58 7.759 4.214 -6.114 426 HB THR 58 HB THR 58 10.019 3.106 -6.167 427 HG1 THR 58 HG1 THR 58 11.093 5.339 -6.485 428 1HG2 THR 58 1HG2 THR 58 10.051 2.957 -8.777 429 2HG2 THR 58 2HG2 THR 58 10.474 4.685 -8.737 430 3HG2 THR 58 3HG2 THR 58 11.551 3.489 -7.979 431 H LYS 59 H LYS 59 6.034 4.051 -8.421 432 HA LYS 59 HA LYS 59 6.913 6.370 -9.970 433 1HB LYS 59 1HB LYS 59 6.298 4.448 -11.297 434 2HB LYS 59 2HB LYS 59 4.767 4.289 -10.461 435 1HG LYS 59 1HG LYS 59 4.191 6.655 -11.272 436 2HG LYS 59 2HG LYS 59 5.632 6.592 -12.265 437 1HD LYS 59 1HD LYS 59 4.571 4.260 -13.072 438 2HD LYS 59 2HD LYS 59 3.081 4.998 -12.519 439 1HE LYS 59 1HE LYS 59 5.012 6.296 -14.501 440 2HE LYS 59 2HE LYS 59 3.564 5.422 -14.961 441 1HZ LYS 59 1HZ LYS 59 2.693 7.179 -13.111 442 2HZ LYS 59 2HZ LYS 59 3.811 8.048 -13.924 443 3HZ LYS 59 3HZ LYS 59 2.566 7.365 -14.728 444 H LEU 60 H LEU 60 6.594 7.743 -8.006 445 HA LEU 60 HA LEU 60 4.229 8.022 -6.668 446 1HB LEU 60 1HB LEU 60 5.047 10.521 -6.581 447 2HB LEU 60 2HB LEU 60 5.863 9.236 -5.712 448 HG LEU 60 HG LEU 60 6.921 9.617 -8.419 449 1HD1 LEU 60 1HD1 LEU 60 6.142 11.978 -7.523 450 2HD1 LEU 60 2HD1 LEU 60 7.644 11.855 -6.575 451 3HD1 LEU 60 3HD1 LEU 60 7.703 11.764 -8.352 452 1HD2 LEU 60 1HD2 LEU 60 8.018 9.372 -5.625 453 2HD2 LEU 60 2HD2 LEU 60 8.184 8.262 -7.007 454 3HD2 LEU 60 3HD2 LEU 60 9.062 9.810 -6.998 455 H ALA 61 H ALA 61 2.253 8.015 -7.639 456 HA ALA 61 HA ALA 61 1.887 9.382 -10.142 457 1HB ALA 61 1HB ALA 61 0.825 7.180 -9.510 458 2HB ALA 61 2HB ALA 61 -0.165 8.063 -8.323 459 3HB ALA 61 3HB ALA 61 -0.328 8.421 -10.059 460 H ILE 62 H ILE 62 1.811 11.581 -10.130 461 HA ILE 62 HA ILE 62 0.995 13.008 -7.811 462 HB ILE 62 HB ILE 62 1.434 14.009 -10.626 463 1HG1 ILE 62 1HG1 ILE 62 3.374 12.721 -9.881 464 2HG1 ILE 62 2HG1 ILE 62 3.743 14.431 -9.984 465 1HG2 ILE 62 1HG2 ILE 62 0.614 15.298 -8.201 466 2HG2 ILE 62 2HG2 ILE 62 2.235 15.876 -8.654 467 3HG2 ILE 62 3HG2 ILE 62 0.890 15.998 -9.814 468 1HD1 ILE 62 1HD1 ILE 62 2.880 14.256 -7.373 469 2HD1 ILE 62 2HD1 ILE 62 3.635 12.661 -7.601 470 3HD1 ILE 62 3HD1 ILE 62 4.583 14.141 -7.876 471 H ALA 63 H ALA 63 -0.455 12.361 -11.067 472 HA ALA 63 HA ALA 63 -2.851 13.752 -10.411 473 1HB ALA 63 1HB ALA 63 -2.000 11.872 -12.640 474 2HB ALA 63 2HB ALA 63 -3.625 12.594 -12.555 475 3HB ALA 63 3HB ALA 63 -2.193 13.641 -12.706 476 HA PRO 64 HA PRO 64 -4.436 10.365 -8.116 477 1HB PRO 64 1HB PRO 64 -6.581 11.675 -7.044 478 2HB PRO 64 2HB PRO 64 -4.986 11.693 -6.318 479 1HG PRO 64 1HG PRO 64 -6.356 13.830 -7.832 480 2HG PRO 64 2HG PRO 64 -4.980 13.957 -6.755 481 1HD PRO 64 1HD PRO 64 -4.926 14.013 -9.621 482 2HD PRO 64 2HD PRO 64 -3.542 14.023 -8.547 483 H GLY 65 H GLY 65 -5.760 8.674 -8.552 484 1HA GLY 65 1HA GLY 65 -8.284 8.872 -9.627 485 2HA GLY 65 2HA GLY 65 -7.204 8.859 -11.007 486 H SER 66 H SER 66 -7.272 7.167 -7.781 487 HA SER 66 HA SER 66 -6.991 5.085 -7.233 488 1HB SER 66 1HB SER 66 -8.635 4.873 -9.738 489 2HB SER 66 2HB SER 66 -7.962 3.384 -9.102 490 HG SER 66 HG SER 66 -8.990 3.844 -7.052 491 H PHE 67 H PHE 67 -4.682 5.035 -7.256 492 HA PHE 67 HA PHE 67 -2.960 4.990 -9.265 493 1HB PHE 67 1HB PHE 67 -3.241 3.689 -6.586 494 2HB PHE 67 2HB PHE 67 -2.068 2.884 -7.610 495 HD1 PHE 67 HD1 PHE 67 -0.050 4.079 -8.362 496 HD2 PHE 67 HD2 PHE 67 -2.813 5.883 -5.694 497 HE1 PHE 67 HE1 PHE 67 1.667 5.805 -7.753 498 HE2 PHE 67 HE2 PHE 67 -1.096 7.609 -5.084 499 HZ PHE 67 HZ PHE 67 1.124 7.550 -6.121 500 H TYR 68 H TYR 68 -3.635 1.741 -7.862 501 HA TYR 68 HA TYR 68 -4.668 0.641 -10.246 502 1HB TYR 68 1HB TYR 68 -2.487 -0.780 -10.582 503 2HB TYR 68 2HB TYR 68 -2.407 0.886 -11.120 504 HD1 TYR 68 HD1 TYR 68 -1.738 -1.159 -8.042 505 HD2 TYR 68 HD2 TYR 68 -0.584 2.172 -10.466 506 HE1 TYR 68 HE1 TYR 68 0.288 -0.770 -6.555 507 HE2 TYR 68 HE2 TYR 68 1.438 2.550 -8.971 508 HH TYR 68 HH TYR 68 2.579 0.282 -6.878 509 H SER 69 H SER 69 -4.421 -1.923 -10.108 510 HA SER 69 HA SER 69 -4.626 -2.584 -7.273 511 1HB SER 69 1HB SER 69 -6.130 -4.245 -9.253 512 2HB SER 69 2HB SER 69 -6.573 -3.779 -7.622 513 HG SER 69 HG SER 69 -6.426 -1.571 -9.300 514 H VAL 70 H VAL 70 -4.139 -4.942 -6.788 515 HA VAL 70 HA VAL 70 -2.626 -6.315 -8.841 516 HB VAL 70 HB VAL 70 -0.676 -6.577 -7.338 517 1HG1 VAL 70 1HG1 VAL 70 -0.854 -4.849 -9.199 518 2HG1 VAL 70 2HG1 VAL 70 -1.171 -3.648 -7.924 519 3HG1 VAL 70 3HG1 VAL 70 0.371 -4.537 -7.948 520 1HG2 VAL 70 1HG2 VAL 70 -2.337 -5.518 -5.386 521 2HG2 VAL 70 2HG2 VAL 70 -0.580 -5.769 -5.249 522 3HG2 VAL 70 3HG2 VAL 70 -1.217 -4.182 -5.744 523 H THR 71 H THR 71 -2.787 -8.533 -8.622 524 HA THR 71 HA THR 71 -4.434 -9.427 -6.373 525 HB THR 71 HB THR 71 -3.818 -10.439 -9.180 526 HG1 THR 71 HG1 THR 71 -5.780 -9.425 -9.290 527 1HG2 THR 71 1HG2 THR 71 -5.259 -11.892 -6.899 528 2HG2 THR 71 2HG2 THR 71 -5.374 -12.353 -8.615 529 3HG2 THR 71 3HG2 THR 71 -3.815 -12.469 -7.764 530 H LEU 72 H LEU 72 -3.571 -10.414 -4.667 531 HA LEU 72 HA LEU 72 -0.813 -11.303 -4.902 532 1HB LEU 72 1HB LEU 72 -2.653 -10.819 -2.562 533 2HB LEU 72 2HB LEU 72 -1.070 -11.552 -2.396 534 HG LEU 72 HG LEU 72 -1.128 -9.124 -1.873 535 1HD1 LEU 72 1HD1 LEU 72 0.888 -10.462 -2.833 536 2HD1 LEU 72 2HD1 LEU 72 0.624 -9.472 -4.288 537 3HD1 LEU 72 3HD1 LEU 72 0.974 -8.687 -2.729 538 1HD2 LEU 72 1HD2 LEU 72 -2.793 -8.787 -3.922 539 2HD2 LEU 72 2HD2 LEU 72 -1.735 -7.485 -3.328 540 3HD2 LEU 72 3HD2 LEU 72 -1.268 -8.424 -4.767 541 H GLY 73 H GLY 73 -0.363 -13.402 -3.478 542 1HA GLY 73 1HA GLY 73 -2.476 -15.390 -3.784 543 2HA GLY 73 2HA GLY 73 -1.037 -15.618 -4.756 544 H THR 74 H THR 74 1.137 -15.188 -3.367 545 HA THR 74 HA THR 74 1.440 -17.265 -1.635 546 HB THR 74 HB THR 74 2.854 -14.592 -1.999 547 HG1 THR 74 HG1 THR 74 3.255 -16.113 -3.639 548 1HG2 THR 74 1HG2 THR 74 3.175 -15.626 0.399 549 2HG2 THR 74 2HG2 THR 74 4.006 -16.949 -0.453 550 3HG2 THR 74 3HG2 THR 74 4.634 -15.288 -0.563 551 HA PRO 75 HA PRO 75 -0.680 -16.076 1.931 552 1HB PRO 75 1HB PRO 75 -0.024 -18.216 3.499 553 2HB PRO 75 2HB PRO 75 -1.338 -18.245 2.340 554 1HG PRO 75 1HG PRO 75 1.335 -19.492 2.143 555 2HG PRO 75 2HG PRO 75 -0.114 -19.849 1.223 556 1HD PRO 75 1HD PRO 75 2.162 -18.350 0.328 557 2HD PRO 75 2HD PRO 75 0.666 -18.608 -0.548 558 H GLY 76 H GLY 76 -0.411 -14.963 3.848 559 1HA GLY 76 1HA GLY 76 1.374 -14.925 5.700 560 2HA GLY 76 2HA GLY 76 2.431 -14.425 4.396 561 H THR 77 H THR 77 2.426 -12.566 6.219 562 HA THR 77 HA THR 77 0.297 -10.654 5.531 563 HB THR 77 HB THR 77 2.097 -11.040 7.971 564 HG1 THR 77 HG1 THR 77 0.190 -12.014 8.519 565 1HG2 THR 77 1HG2 THR 77 1.567 -8.534 7.192 566 2HG2 THR 77 2HG2 THR 77 -0.067 -8.929 7.780 567 3HG2 THR 77 3HG2 THR 77 1.323 -9.011 8.889 568 H TYR 78 H TYR 78 0.770 -9.107 4.116 569 HA TYR 78 HA TYR 78 3.583 -8.577 3.586 570 1HB TYR 78 1HB TYR 78 0.858 -7.853 2.355 571 2HB TYR 78 2HB TYR 78 2.350 -7.193 1.717 572 HD1 TYR 78 HD1 TYR 78 1.086 -10.592 2.722 573 HD2 TYR 78 HD2 TYR 78 3.129 -8.226 -0.199 574 HE1 TYR 78 HE1 TYR 78 1.371 -12.644 1.248 575 HE2 TYR 78 HE2 TYR 78 3.407 -10.285 -1.662 576 HH TYR 78 HH TYR 78 1.926 -12.590 -1.825 577 H SER 79 H SER 79 4.591 -6.591 3.900 578 HA SER 79 HA SER 79 2.923 -4.608 5.244 579 1HB SER 79 1HB SER 79 5.272 -3.956 6.292 580 2HB SER 79 2HB SER 79 4.317 -5.251 6.988 581 HG SER 79 HG SER 79 6.371 -5.682 4.993 582 H PHE 80 H PHE 80 3.375 -2.363 4.741 583 HA PHE 80 HA PHE 80 5.389 -1.864 2.718 584 1HB PHE 80 1HB PHE 80 3.511 -0.626 1.405 585 2HB PHE 80 2HB PHE 80 3.448 -2.376 1.339 586 HD1 PHE 80 HD1 PHE 80 1.852 -3.578 2.917 587 HD2 PHE 80 HD2 PHE 80 1.699 0.610 2.247 588 HE1 PHE 80 HE1 PHE 80 -0.501 -3.525 3.787 589 HE2 PHE 80 HE2 PHE 80 -0.655 0.662 3.118 590 HZ PHE 80 HZ PHE 80 -1.727 -1.406 3.878 591 H TYR 81 H TYR 81 4.839 0.725 2.039 592 HA TYR 81 HA TYR 81 3.928 2.321 4.174 593 1HB TYR 81 1HB TYR 81 6.189 3.120 4.902 594 2HB TYR 81 2HB TYR 81 6.085 1.386 5.140 595 HD1 TYR 81 HD1 TYR 81 7.298 3.948 2.700 596 HD2 TYR 81 HD2 TYR 81 7.700 -0.039 4.202 597 HE1 TYR 81 HE1 TYR 81 9.391 3.621 1.294 598 HE2 TYR 81 HE2 TYR 81 9.791 -0.351 2.791 599 HH TYR 81 HH TYR 81 11.120 0.514 1.330 600 H CYS 82 H CYS 82 4.519 4.698 3.788 601 HA CYS 82 HA CYS 82 4.500 5.096 0.915 602 1HB CYS 82 1HB CYS 82 2.956 6.163 2.869 603 2HB CYS 82 2HB CYS 82 4.187 7.403 2.745 604 H THR 83 H THR 83 6.336 5.781 -0.146 605 HA THR 83 HA THR 83 8.788 5.994 1.113 606 HB THR 83 HB THR 83 7.581 6.459 -1.559 607 HG1 THR 83 HG1 THR 83 10.090 5.536 -0.348 608 1HG2 THR 83 1HG2 THR 83 10.015 8.025 -0.599 609 2HG2 THR 83 2HG2 THR 83 9.882 7.479 -2.288 610 3HG2 THR 83 3HG2 THR 83 8.670 8.594 -1.617 611 HA PRO 84 HA PRO 84 8.167 10.657 1.198 612 1HB PRO 84 1HB PRO 84 5.713 11.737 0.664 613 2HB PRO 84 2HB PRO 84 6.983 11.601 -0.537 614 1HG PRO 84 1HG PRO 84 4.527 9.981 -0.243 615 2HG PRO 84 2HG PRO 84 5.570 10.149 -1.641 616 1HD PRO 84 1HD PRO 84 5.467 7.924 0.166 617 2HD PRO 84 2HD PRO 84 6.589 8.145 -1.162 618 H HIS 85 H HIS 85 4.921 9.505 2.020 619 HA HIS 85 HA HIS 85 5.097 10.850 4.530 620 1HB HIS 85 1HB HIS 85 3.027 8.860 3.566 621 2HB HIS 85 2HB HIS 85 2.866 9.973 4.910 622 HD2 HIS 85 HD2 HIS 85 3.106 12.839 3.922 623 HE1 HIS 85 HE1 HIS 85 1.228 11.775 0.254 624 HE2 HIS 85 HE2 HIS 85 1.885 13.698 1.856 625 H ARG 86 H ARG 86 7.317 9.451 4.666 626 HA ARG 86 HA ARG 86 6.745 6.858 5.755 627 1HB ARG 86 1HB ARG 86 9.209 6.597 5.830 628 2HB ARG 86 2HB ARG 86 8.712 7.178 4.252 629 1HG ARG 86 1HG ARG 86 9.254 9.525 4.954 630 2HG ARG 86 2HG ARG 86 9.768 8.933 6.521 631 1HD ARG 86 1HD ARG 86 11.455 7.434 5.284 632 2HD ARG 86 2HD ARG 86 11.036 8.297 3.816 633 HE ARG 86 HE ARG 86 11.790 10.025 6.083 634 1HH1 ARG 86 1HH1 ARG 86 12.890 8.312 3.213 635 2HH1 ARG 86 2HH1 ARG 86 14.311 9.283 3.021 636 1HH2 ARG 86 1HH2 ARG 86 13.663 11.309 5.829 637 2HH2 ARG 86 2HH2 ARG 86 14.754 11.000 4.520 638 H GLY 87 H GLY 87 7.791 10.135 6.751 639 1HA GLY 87 1HA GLY 87 8.282 9.295 9.495 640 2HA GLY 87 2HA GLY 87 8.501 10.891 8.807 641 H ALA 88 H ALA 88 5.776 10.850 7.481 642 HA ALA 88 HA ALA 88 4.354 12.036 9.602 643 1HB ALA 88 1HB ALA 88 3.624 11.173 6.782 644 2HB ALA 88 2HB ALA 88 2.494 12.028 7.858 645 3HB ALA 88 3HB ALA 88 4.013 12.810 7.361 646 H GLY 89 H GLY 89 4.899 8.756 8.722 647 1HA GLY 89 1HA GLY 89 4.186 6.899 9.835 648 2HA GLY 89 2HA GLY 89 3.021 7.859 10.724 649 H MET 90 H MET 90 3.689 6.255 7.579 650 HA MET 90 HA MET 90 0.827 5.914 7.306 651 1HB MET 90 1HB MET 90 1.496 7.901 5.907 652 2HB MET 90 2HB MET 90 2.703 6.924 5.095 653 1HG MET 90 1HG MET 90 1.123 5.746 3.846 654 2HG MET 90 2HG MET 90 -0.107 5.855 5.090 655 1HE MET 90 1HE MET 90 -0.788 5.925 2.512 656 2HE MET 90 2HE MET 90 -1.858 7.328 2.277 657 3HE MET 90 3HE MET 90 -0.288 7.257 1.441 658 H VAL 91 H VAL 91 1.478 3.729 8.081 659 HA VAL 91 HA VAL 91 2.501 2.144 5.835 660 HB VAL 91 HB VAL 91 3.536 0.676 7.644 661 1HG1 VAL 91 1HG1 VAL 91 4.552 2.722 6.108 662 2HG1 VAL 91 2HG1 VAL 91 5.095 3.172 7.743 663 3HG1 VAL 91 3HG1 VAL 91 5.517 1.578 7.072 664 1HG2 VAL 91 1HG2 VAL 91 2.254 2.200 9.428 665 2HG2 VAL 91 2HG2 VAL 91 3.796 1.392 9.799 666 3HG2 VAL 91 3HG2 VAL 91 3.779 3.115 9.350 667 H GLY 92 H GLY 92 1.555 0.048 5.622 668 1HA GLY 92 1HA GLY 92 -0.697 -0.511 7.440 669 2HA GLY 92 2HA GLY 92 -0.963 -0.425 5.710 670 H THR 93 H THR 93 -1.696 -2.767 6.290 671 HA THR 93 HA THR 93 0.511 -4.514 5.573 672 HB THR 93 HB THR 93 -1.238 -5.333 7.909 673 HG1 THR 93 HG1 THR 93 1.251 -3.778 7.942 674 1HG2 THR 93 1HG2 THR 93 0.519 -6.872 6.804 675 2HG2 THR 93 2HG2 THR 93 1.749 -5.725 7.389 676 3HG2 THR 93 3HG2 THR 93 0.727 -6.604 8.551 677 H ILE 94 H ILE 94 -0.247 -6.676 4.872 678 HA ILE 94 HA ILE 94 -3.083 -6.772 4.254 679 HB ILE 94 HB ILE 94 -0.895 -6.646 2.189 680 1HG1 ILE 94 1HG1 ILE 94 -3.529 -5.160 2.336 681 2HG1 ILE 94 2HG1 ILE 94 -2.039 -4.541 3.018 682 1HG2 ILE 94 1HG2 ILE 94 -2.346 -8.635 1.799 683 2HG2 ILE 94 2HG2 ILE 94 -3.748 -7.542 1.710 684 3HG2 ILE 94 3HG2 ILE 94 -2.436 -7.406 0.514 685 1HD1 ILE 94 1HD1 ILE 94 -2.320 -5.394 0.103 686 2HD1 ILE 94 2HD1 ILE 94 -2.522 -3.720 0.672 687 3HD1 ILE 94 3HD1 ILE 94 -0.948 -4.534 0.840 688 H THR 95 H THR 95 -3.837 -8.788 4.643 689 HA THR 95 HA THR 95 -1.818 -10.921 4.836 690 HB THR 95 HB THR 95 -4.578 -10.662 6.143 691 HG1 THR 95 HG1 THR 95 -2.677 -9.131 6.674 692 1HG2 THR 95 1HG2 THR 95 -3.610 -13.019 5.950 693 2HG2 THR 95 2HG2 THR 95 -2.184 -12.437 6.842 694 3HG2 THR 95 3HG2 THR 95 -3.782 -12.444 7.626 695 H VAL 96 H VAL 96 -2.129 -12.916 3.847 696 HA VAL 96 HA VAL 96 -4.416 -13.012 2.010 697 HB VAL 96 HB VAL 96 -1.490 -13.358 1.481 698 1HG1 VAL 96 1HG1 VAL 96 -3.704 -14.990 0.326 699 2HG1 VAL 96 2HG1 VAL 96 -2.468 -14.376 -0.797 700 3HG1 VAL 96 3HG1 VAL 96 -1.989 -15.395 0.580 701 1HG2 VAL 96 1HG2 VAL 96 -3.012 -11.283 0.951 702 2HG2 VAL 96 2HG2 VAL 96 -1.818 -11.848 -0.242 703 3HG2 VAL 96 3HG2 VAL 96 -3.536 -12.271 -0.434 704 H GLU 97 H GLU 97 -5.362 -14.241 3.862 705 HA GLU 97 HA GLU 97 -4.100 -16.670 4.582 706 1HB GLU 97 1HB GLU 97 -6.685 -15.278 5.221 707 2HB GLU 97 2HB GLU 97 -6.613 -17.005 5.515 708 1HG GLU 97 1HG GLU 97 -4.163 -16.002 6.531 709 2HG GLU 97 2HG GLU 97 -5.361 -14.818 7.016 Start of MODEL 3 1 H ALA 1 H ALA 1 -13.143 -10.737 0.708 2 HA ALA 1 HA ALA 1 -11.994 -10.753 -1.522 3 1HB ALA 1 1HB ALA 1 -14.351 -11.702 -0.880 4 2HB ALA 1 2HB ALA 1 -14.969 -10.314 -1.808 5 3HB ALA 1 3HB ALA 1 -13.927 -11.521 -2.600 6 H SER 2 H SER 2 -11.206 -9.462 -3.122 7 HA SER 2 HA SER 2 -10.705 -7.620 -4.172 8 1HB SER 2 1HB SER 2 -12.509 -6.535 -5.407 9 2HB SER 2 2HB SER 2 -12.819 -8.258 -5.339 10 HG SER 2 HG SER 2 -14.614 -6.583 -4.782 11 H VAL 3 H VAL 3 -9.618 -6.436 -2.516 12 HA VAL 3 HA VAL 3 -11.294 -4.420 -1.187 13 HB VAL 3 HB VAL 3 -9.478 -4.414 0.540 14 1HG1 VAL 3 1HG1 VAL 3 -11.613 -5.550 0.920 15 2HG1 VAL 3 2HG1 VAL 3 -10.982 -7.023 0.147 16 3HG1 VAL 3 3HG1 VAL 3 -10.275 -6.449 1.676 17 1HG2 VAL 3 1HG2 VAL 3 -8.129 -6.015 -1.330 18 2HG2 VAL 3 2HG2 VAL 3 -7.615 -5.626 0.329 19 3HG2 VAL 3 3HG2 VAL 3 -8.546 -7.110 0.010 20 H GLN 4 H GLN 4 -9.850 -2.414 -0.558 21 HA GLN 4 HA GLN 4 -7.945 -1.926 -2.692 22 1HB GLN 4 1HB GLN 4 -8.958 0.405 -2.946 23 2HB GLN 4 2HB GLN 4 -9.918 -0.913 -3.589 24 1HG GLN 4 1HG GLN 4 -10.941 -0.884 -1.083 25 2HG GLN 4 2HG GLN 4 -10.408 0.784 -1.151 26 1HE2 GLN 4 2HE2 GLN 4 -13.011 -0.999 -1.467 27 2HE2 GLN 4 1HE2 GLN 4 -13.899 -0.181 -2.708 28 H ILE 5 H ILE 5 -6.642 0.164 -2.225 29 HA ILE 5 HA ILE 5 -6.409 0.516 0.682 30 HB ILE 5 HB ILE 5 -4.336 -0.117 -1.370 31 1HG1 ILE 5 1HG1 ILE 5 -5.203 -1.884 0.094 32 2HG1 ILE 5 2HG1 ILE 5 -3.498 -1.587 0.369 33 1HG2 ILE 5 1HG2 ILE 5 -4.008 1.782 0.926 34 2HG2 ILE 5 2HG2 ILE 5 -2.675 0.684 0.493 35 3HG2 ILE 5 3HG2 ILE 5 -3.310 1.832 -0.712 36 1HD1 ILE 5 1HD1 ILE 5 -5.038 0.164 2.094 37 2HD1 ILE 5 2HD1 ILE 5 -5.609 -1.511 2.286 38 3HD1 ILE 5 3HD1 ILE 5 -3.892 -1.121 2.547 39 H LYS 6 H LYS 6 -6.880 2.559 1.265 40 HA LYS 6 HA LYS 6 -6.649 4.616 -0.799 41 1HB LYS 6 1HB LYS 6 -8.510 4.063 1.389 42 2HB LYS 6 2HB LYS 6 -7.938 5.720 1.406 43 1HG LYS 6 1HG LYS 6 -8.552 5.962 -1.006 44 2HG LYS 6 2HG LYS 6 -9.114 4.302 -1.034 45 1HD LYS 6 1HD LYS 6 -10.298 5.891 1.171 46 2HD LYS 6 2HD LYS 6 -10.673 6.533 -0.416 47 1HE LYS 6 1HE LYS 6 -11.883 4.643 -1.060 48 2HE LYS 6 2HE LYS 6 -10.934 3.557 -0.065 49 1HZ LYS 6 1HZ LYS 6 -12.003 4.787 1.858 50 2HZ LYS 6 2HZ LYS 6 -13.086 5.345 0.771 51 3HZ LYS 6 3HZ LYS 6 -12.938 3.739 1.024 52 H MET 7 H MET 7 -5.220 6.305 -0.640 53 HA MET 7 HA MET 7 -3.459 6.164 1.672 54 1HB MET 7 1HB MET 7 -3.159 7.063 -1.220 55 2HB MET 7 2HB MET 7 -2.055 7.704 -0.019 56 1HG MET 7 1HG MET 7 -1.050 5.625 0.380 57 2HG MET 7 2HG MET 7 -2.492 4.721 -0.037 58 1HE MET 7 1HE MET 7 -2.923 3.666 -1.728 59 2HE MET 7 2HE MET 7 -3.113 4.567 -3.252 60 3HE MET 7 3HE MET 7 -1.843 3.329 -3.102 61 H GLY 8 H GLY 8 -4.310 7.530 3.233 62 1HA GLY 8 1HA GLY 8 -4.115 9.832 3.936 63 2HA GLY 8 2HA GLY 8 -4.767 10.326 2.386 64 H THR 9 H THR 9 -5.736 10.772 5.239 65 HA THR 9 HA THR 9 -8.366 9.471 4.995 66 HB THR 9 HB THR 9 -8.388 10.200 7.530 67 HG1 THR 9 HG1 THR 9 -6.510 11.474 7.606 68 1HG2 THR 9 1HG2 THR 9 -6.807 7.979 6.243 69 2HG2 THR 9 2HG2 THR 9 -6.498 8.301 7.967 70 3HG2 THR 9 3HG2 THR 9 -8.139 7.879 7.419 71 H ASP 10 H ASP 10 -10.257 10.776 5.696 72 HA ASP 10 HA ASP 10 -10.367 13.079 4.208 73 1HB ASP 10 1HB ASP 10 -12.238 11.531 5.250 74 2HB ASP 10 2HB ASP 10 -12.143 12.610 6.627 75 H LYS 11 H LYS 11 -9.001 12.451 7.331 76 HA LYS 11 HA LYS 11 -9.362 15.175 8.271 77 1HB LYS 11 1HB LYS 11 -9.611 13.122 9.746 78 2HB LYS 11 2HB LYS 11 -7.878 12.904 9.614 79 1HG LYS 11 1HG LYS 11 -7.792 15.469 10.333 80 2HG LYS 11 2HG LYS 11 -9.408 15.158 10.935 81 1HD LYS 11 1HD LYS 11 -7.277 13.160 11.655 82 2HD LYS 11 2HD LYS 11 -7.188 14.728 12.430 83 1HE LYS 11 1HE LYS 11 -9.220 14.445 13.569 84 2HE LYS 11 2HE LYS 11 -9.875 13.359 12.360 85 1HZ LYS 11 1HZ LYS 11 -7.818 11.954 13.230 86 2HZ LYS 11 2HZ LYS 11 -8.180 12.768 14.598 87 3HZ LYS 11 3HZ LYS 11 -9.314 11.842 13.875 88 H TYR 12 H TYR 12 -7.988 14.977 5.798 89 HA TYR 12 HA TYR 12 -6.009 15.330 4.795 90 1HB TYR 12 1HB TYR 12 -6.706 17.297 6.890 91 2HB TYR 12 2HB TYR 12 -4.969 17.265 6.664 92 HD1 TYR 12 HD1 TYR 12 -8.078 17.335 4.551 93 HD2 TYR 12 HD2 TYR 12 -4.077 18.740 5.114 94 HE1 TYR 12 HE1 TYR 12 -8.311 18.836 2.512 95 HE2 TYR 12 HE2 TYR 12 -4.322 20.235 3.073 96 HH TYR 12 HH TYR 12 -5.747 20.168 0.955 97 H ALA 13 H ALA 13 -5.895 13.159 6.847 98 HA ALA 13 HA ALA 13 -3.144 13.520 7.795 99 1HB ALA 13 1HB ALA 13 -5.388 12.735 9.155 100 2HB ALA 13 2HB ALA 13 -4.721 11.161 8.661 101 3HB ALA 13 3HB ALA 13 -3.729 12.287 9.616 102 HA PRO 14 HA PRO 14 -2.154 10.808 4.500 103 1HB PRO 14 1HB PRO 14 0.564 11.016 4.703 104 2HB PRO 14 2HB PRO 14 -0.417 12.143 3.786 105 1HG PRO 14 1HG PRO 14 0.872 12.524 6.419 106 2HG PRO 14 2HG PRO 14 0.261 13.736 5.309 107 1HD PRO 14 1HD PRO 14 -0.997 12.831 7.723 108 2HD PRO 14 2HD PRO 14 -1.659 13.955 6.554 109 H LEU 15 H LEU 15 -3.015 8.883 5.226 110 HA LEU 15 HA LEU 15 -0.971 7.175 6.348 111 1HB LEU 15 1HB LEU 15 -2.386 6.400 8.179 112 2HB LEU 15 2HB LEU 15 -1.901 8.074 8.356 113 HG LEU 15 HG LEU 15 -4.359 8.254 7.064 114 1HD1 LEU 15 1HD1 LEU 15 -4.239 5.769 8.654 115 2HD1 LEU 15 2HD1 LEU 15 -5.625 6.831 8.999 116 3HD1 LEU 15 3HD1 LEU 15 -5.340 6.250 7.341 117 1HD2 LEU 15 1HD2 LEU 15 -3.412 9.666 8.896 118 2HD2 LEU 15 2HD2 LEU 15 -5.132 9.254 9.095 119 3HD2 LEU 15 3HD2 LEU 15 -3.896 8.401 10.052 120 H TYR 16 H TYR 16 -1.467 4.897 6.049 121 HA TYR 16 HA TYR 16 -3.037 4.495 3.689 122 1HB TYR 16 1HB TYR 16 -1.211 3.002 5.601 123 2HB TYR 16 2HB TYR 16 -2.282 2.014 4.629 124 HD1 TYR 16 HD1 TYR 16 -2.316 3.389 2.037 125 HD2 TYR 16 HD2 TYR 16 0.936 2.735 4.739 126 HE1 TYR 16 HE1 TYR 16 -0.673 3.521 0.102 127 HE2 TYR 16 HE2 TYR 16 2.569 2.870 2.794 128 HH TYR 16 HH TYR 16 2.800 3.478 0.681 129 H GLU 17 H GLU 17 -5.117 3.795 3.531 130 HA GLU 17 HA GLU 17 -6.239 2.551 5.909 131 1HB GLU 17 1HB GLU 17 -6.856 5.085 5.475 132 2HB GLU 17 2HB GLU 17 -7.907 4.437 4.230 133 1HG GLU 17 1HG GLU 17 -9.091 3.043 5.869 134 2HG GLU 17 2HG GLU 17 -7.953 3.476 7.128 135 HA PRO 18 HA PRO 18 -7.751 1.554 6.434 136 1HB PRO 18 1HB PRO 18 -8.148 -1.092 6.994 137 2HB PRO 18 2HB PRO 18 -9.452 0.011 6.606 138 1HG PRO 18 1HG PRO 18 -8.234 -2.085 4.915 139 2HG PRO 18 2HG PRO 18 -9.777 -1.278 4.721 140 1HD PRO 18 1HD PRO 18 -7.378 -0.775 3.231 141 2HD PRO 18 2HD PRO 18 -8.888 0.110 3.119 142 H LYS 19 H LYS 19 -6.358 1.494 8.156 143 HA LYS 19 HA LYS 19 -3.720 1.205 7.621 144 1HB LYS 19 1HB LYS 19 -4.972 2.132 9.694 145 2HB LYS 19 2HB LYS 19 -4.854 0.502 10.325 146 1HG LYS 19 1HG LYS 19 -2.771 1.051 11.047 147 2HG LYS 19 2HG LYS 19 -2.266 0.985 9.371 148 1HD LYS 19 1HD LYS 19 -1.884 3.218 9.360 149 2HD LYS 19 2HD LYS 19 -3.550 3.534 9.801 150 1HE LYS 19 1HE LYS 19 -3.075 3.621 12.109 151 2HE LYS 19 2HE LYS 19 -1.642 2.621 11.962 152 1HZ LYS 19 1HZ LYS 19 -1.628 5.166 10.585 153 2HZ LYS 19 2HZ LYS 19 -1.497 5.197 12.212 154 3HZ LYS 19 3HZ LYS 19 -0.403 4.375 11.321 155 H ALA 20 H ALA 20 -6.070 -1.337 8.583 156 HA ALA 20 HA ALA 20 -3.945 -3.299 8.046 157 1HB ALA 20 1HB ALA 20 -5.388 -2.885 10.411 158 2HB ALA 20 2HB ALA 20 -6.195 -4.272 9.640 159 3HB ALA 20 3HB ALA 20 -4.449 -4.336 9.982 160 H LEU 21 H LEU 21 -4.451 -5.025 6.664 161 HA LEU 21 HA LEU 21 -7.180 -5.164 5.669 162 1HB LEU 21 1HB LEU 21 -6.421 -3.683 4.077 163 2HB LEU 21 2HB LEU 21 -4.793 -4.331 4.077 164 HG LEU 21 HG LEU 21 -5.704 -6.403 2.955 165 1HD1 LEU 21 1HD1 LEU 21 -8.109 -5.804 3.717 166 2HD1 LEU 21 2HD1 LEU 21 -8.140 -4.784 2.259 167 3HD1 LEU 21 3HD1 LEU 21 -7.859 -6.536 2.114 168 1HD2 LEU 21 1HD2 LEU 21 -4.807 -4.058 1.901 169 2HD2 LEU 21 2HD2 LEU 21 -5.152 -5.530 0.963 170 3HD2 LEU 21 3HD2 LEU 21 -6.371 -4.238 1.070 171 H SER 22 H SER 22 -7.788 -7.248 5.079 172 HA SER 22 HA SER 22 -5.639 -9.210 5.171 173 1HB SER 22 1HB SER 22 -6.989 -9.114 7.329 174 2HB SER 22 2HB SER 22 -8.397 -9.602 6.409 175 HG SER 22 HG SER 22 -6.998 -11.501 5.703 176 H ILE 23 H ILE 23 -5.903 -11.009 3.735 177 HA ILE 23 HA ILE 23 -8.362 -11.221 2.245 178 HB ILE 23 HB ILE 23 -7.346 -10.923 0.073 179 1HG1 ILE 23 1HG1 ILE 23 -4.846 -9.865 1.399 180 2HG1 ILE 23 2HG1 ILE 23 -5.000 -11.548 0.934 181 1HG2 ILE 23 1HG2 ILE 23 -8.442 -9.013 1.159 182 2HG2 ILE 23 2HG2 ILE 23 -6.882 -8.516 1.857 183 3HG2 ILE 23 3HG2 ILE 23 -7.113 -8.499 0.092 184 1HD1 ILE 23 1HD1 ILE 23 -5.884 -9.796 -1.240 185 2HD1 ILE 23 2HD1 ILE 23 -4.223 -9.410 -0.730 186 3HD1 ILE 23 3HD1 ILE 23 -4.633 -11.062 -1.250 187 H SER 24 H SER 24 -7.663 -12.980 0.293 188 HA SER 24 HA SER 24 -6.305 -15.061 1.822 189 1HB SER 24 1HB SER 24 -8.711 -15.527 1.578 190 2HB SER 24 2HB SER 24 -8.614 -15.303 -0.157 191 HG SER 24 HG SER 24 -7.181 -17.339 1.328 192 H ALA 25 H ALA 25 -5.870 -16.993 -0.073 193 HA ALA 25 HA ALA 25 -3.891 -15.730 -1.733 194 1HB ALA 25 1HB ALA 25 -4.648 -18.504 -0.888 195 2HB ALA 25 2HB ALA 25 -3.730 -18.318 -2.401 196 3HB ALA 25 3HB ALA 25 -3.061 -17.700 -0.872 197 H GLY 26 H GLY 26 -4.699 -14.635 -3.485 198 1HA GLY 26 1HA GLY 26 -5.268 -15.236 -5.821 199 2HA GLY 26 2HA GLY 26 -6.646 -16.099 -5.168 200 H ASP 27 H ASP 27 -6.360 -13.585 -3.050 201 HA ASP 27 HA ASP 27 -8.519 -12.218 -4.261 202 1HB ASP 27 1HB ASP 27 -6.881 -11.870 -1.731 203 2HB ASP 27 2HB ASP 27 -8.008 -10.618 -2.212 204 H THR 28 H THR 28 -8.317 -9.587 -4.112 205 HA THR 28 HA THR 28 -5.718 -8.842 -5.286 206 HB THR 28 HB THR 28 -8.449 -7.715 -6.071 207 HG1 THR 28 HG1 THR 28 -6.789 -9.948 -6.986 208 1HG2 THR 28 1HG2 THR 28 -5.762 -7.887 -7.536 209 2HG2 THR 28 2HG2 THR 28 -7.247 -7.125 -8.155 210 3HG2 THR 28 3HG2 THR 28 -6.397 -6.414 -6.764 211 H VAL 29 H VAL 29 -5.172 -6.519 -5.073 212 HA VAL 29 HA VAL 29 -6.498 -5.282 -2.780 213 HB VAL 29 HB VAL 29 -3.526 -5.755 -3.075 214 1HG1 VAL 29 1HG1 VAL 29 -4.392 -3.478 -2.119 215 2HG1 VAL 29 2HG1 VAL 29 -4.800 -4.448 -0.683 216 3HG1 VAL 29 3HG1 VAL 29 -3.117 -4.372 -1.257 217 1HG2 VAL 29 1HG2 VAL 29 -5.573 -6.801 -1.093 218 2HG2 VAL 29 2HG2 VAL 29 -4.623 -7.741 -2.271 219 3HG2 VAL 29 3HG2 VAL 29 -3.811 -6.959 -0.894 220 H GLU 30 H GLU 30 -7.378 -3.520 -3.774 221 HA GLU 30 HA GLU 30 -5.988 -2.293 -5.931 222 1HB GLU 30 1HB GLU 30 -8.644 -2.478 -5.171 223 2HB GLU 30 2HB GLU 30 -8.267 -0.827 -4.721 224 1HG GLU 30 1HG GLU 30 -8.199 -0.150 -6.892 225 2HG GLU 30 2HG GLU 30 -7.129 -1.463 -7.345 226 H PHE 31 H PHE 31 -5.779 0.245 -5.889 227 HA PHE 31 HA PHE 31 -5.118 1.245 -3.253 228 1HB PHE 31 1HB PHE 31 -3.217 0.756 -5.604 229 2HB PHE 31 2HB PHE 31 -2.860 2.017 -4.441 230 HD1 PHE 31 HD1 PHE 31 -3.325 -1.625 -4.833 231 HD2 PHE 31 HD2 PHE 31 -1.961 1.499 -2.306 232 HE1 PHE 31 HE1 PHE 31 -2.240 -3.317 -3.331 233 HE2 PHE 31 HE2 PHE 31 -0.874 -0.194 -0.803 234 HZ PHE 31 HZ PHE 31 -1.027 -2.581 -1.333 235 H VAL 32 H VAL 32 -5.830 3.321 -3.096 236 HA VAL 32 HA VAL 32 -5.835 4.925 -5.543 237 HB VAL 32 HB VAL 32 -8.077 3.829 -5.053 238 1HG1 VAL 32 1HG1 VAL 32 -7.722 4.464 -2.497 239 2HG1 VAL 32 2HG1 VAL 32 -8.541 5.961 -3.004 240 3HG1 VAL 32 3HG1 VAL 32 -9.346 4.388 -3.224 241 1HG2 VAL 32 1HG2 VAL 32 -7.407 6.538 -5.821 242 2HG2 VAL 32 2HG2 VAL 32 -8.671 5.458 -6.458 243 3HG2 VAL 32 3HG2 VAL 32 -9.008 6.486 -5.044 244 H MET 33 H MET 33 -5.719 7.237 -5.140 245 HA MET 33 HA MET 33 -4.455 7.728 -2.581 246 1HB MET 33 1HB MET 33 -4.327 8.856 -5.356 247 2HB MET 33 2HB MET 33 -4.172 10.050 -4.083 248 1HG MET 33 1HG MET 33 -2.233 8.965 -3.147 249 2HG MET 33 2HG MET 33 -2.519 7.492 -4.052 250 1HE MET 33 1HE MET 33 -2.459 11.132 -4.343 251 2HE MET 33 2HE MET 33 -0.770 11.363 -4.855 252 3HE MET 33 3HE MET 33 -2.083 11.447 -6.054 253 H ASN 34 H ASN 34 -5.595 8.693 -0.960 254 HA ASN 34 HA ASN 34 -8.163 9.717 -1.505 255 1HB ASN 34 1HB ASN 34 -6.500 9.082 0.849 256 2HB ASN 34 2HB ASN 34 -7.403 10.563 1.093 257 1HD2 ASN 34 2HD2 ASN 34 -9.087 10.106 2.290 258 2HD2 ASN 34 1HD2 ASN 34 -10.227 8.824 2.048 259 H LYS 35 H LYS 35 -5.243 11.188 0.129 260 HA LYS 35 HA LYS 35 -5.243 13.479 -1.507 261 1HB LYS 35 1HB LYS 35 -6.049 15.153 0.038 262 2HB LYS 35 2HB LYS 35 -7.316 13.985 -0.276 263 1HG LYS 35 1HG LYS 35 -5.807 12.999 1.963 264 2HG LYS 35 2HG LYS 35 -6.106 14.700 2.259 265 1HD LYS 35 1HD LYS 35 -8.480 13.289 1.193 266 2HD LYS 35 2HD LYS 35 -7.920 12.620 2.712 267 1HE LYS 35 1HE LYS 35 -8.660 14.424 3.891 268 2HE LYS 35 2HE LYS 35 -7.879 15.550 2.799 269 1HZ LYS 35 1HZ LYS 35 -10.429 14.207 2.230 270 2HZ LYS 35 2HZ LYS 35 -10.292 15.731 2.801 271 3HZ LYS 35 3HZ LYS 35 -9.721 15.360 1.316 272 H VAL 36 H VAL 36 -4.033 15.310 0.274 273 HA VAL 36 HA VAL 36 -1.957 15.755 0.935 274 HB VAL 36 HB VAL 36 -3.036 15.005 2.991 275 1HG1 VAL 36 1HG1 VAL 36 -1.966 12.282 2.197 276 2HG1 VAL 36 2HG1 VAL 36 -2.497 12.686 3.847 277 3HG1 VAL 36 3HG1 VAL 36 -3.657 12.753 2.498 278 1HG2 VAL 36 1HG2 VAL 36 -0.574 15.701 2.854 279 2HG2 VAL 36 2HG2 VAL 36 -1.085 14.810 4.307 280 3HG2 VAL 36 3HG2 VAL 36 -0.193 13.969 3.016 281 H GLY 37 H GLY 37 -1.754 14.652 -1.501 282 1HA GLY 37 1HA GLY 37 0.003 12.332 -1.411 283 2HA GLY 37 2HA GLY 37 -0.634 13.142 -2.829 284 HA PRO 38 HA PRO 38 0.682 12.447 -3.989 285 1HB PRO 38 1HB PRO 38 2.961 11.432 -5.104 286 2HB PRO 38 2HB PRO 38 2.089 12.792 -5.780 287 1HG PRO 38 1HG PRO 38 4.629 12.785 -4.269 288 2HG PRO 38 2HG PRO 38 3.969 14.039 -5.301 289 1HD PRO 38 1HD PRO 38 3.990 14.011 -2.433 290 2HD PRO 38 2HD PRO 38 3.228 15.206 -3.464 291 H HIS 39 H HIS 39 1.487 9.952 -4.508 292 HA HIS 39 HA HIS 39 2.379 8.878 -1.972 293 1HB HIS 39 1HB HIS 39 -0.285 8.135 -3.215 294 2HB HIS 39 2HB HIS 39 0.480 7.279 -1.890 295 HD2 HIS 39 HD2 HIS 39 -1.387 10.678 -2.540 296 HE1 HIS 39 HE1 HIS 39 -0.898 10.208 1.661 297 HE2 HIS 39 HE2 HIS 39 -1.929 11.629 -0.240 298 H ASN 40 H ASN 40 1.944 6.162 -2.498 299 HA ASN 40 HA ASN 40 2.348 5.284 -5.016 300 1HB ASN 40 1HB ASN 40 4.952 4.807 -4.779 301 2HB ASN 40 2HB ASN 40 4.415 6.353 -5.407 302 1HD2 ASN 40 2HD2 ASN 40 6.716 6.715 -4.612 303 2HD2 ASN 40 1HD2 ASN 40 6.908 7.348 -3.012 304 H VAL 41 H VAL 41 3.540 2.982 -4.933 305 HA VAL 41 HA VAL 41 3.001 1.846 -2.278 306 HB VAL 41 HB VAL 41 2.855 0.613 -5.035 307 1HG1 VAL 41 1HG1 VAL 41 2.668 -0.564 -2.276 308 2HG1 VAL 41 2HG1 VAL 41 1.703 -1.258 -3.602 309 3HG1 VAL 41 3HG1 VAL 41 3.478 -1.196 -3.731 310 1HG2 VAL 41 1HG2 VAL 41 0.774 1.609 -3.090 311 2HG2 VAL 41 2HG2 VAL 41 0.945 1.951 -4.828 312 3HG2 VAL 41 3HG2 VAL 41 0.392 0.348 -4.287 313 H ILE 42 H ILE 42 4.821 1.427 -1.144 314 HA ILE 42 HA ILE 42 7.069 0.296 -2.635 315 HB ILE 42 HB ILE 42 7.372 2.432 -0.527 316 1HG1 ILE 42 1HG1 ILE 42 6.262 3.333 -2.550 317 2HG1 ILE 42 2HG1 ILE 42 7.851 4.013 -2.271 318 1HG2 ILE 42 1HG2 ILE 42 9.170 0.536 -1.333 319 2HG2 ILE 42 2HG2 ILE 42 9.552 1.889 -2.426 320 3HG2 ILE 42 3HG2 ILE 42 9.589 2.131 -0.663 321 1HD1 ILE 42 1HD1 ILE 42 8.200 1.653 -3.880 322 2HD1 ILE 42 2HD1 ILE 42 6.897 2.629 -4.602 323 3HD1 ILE 42 3HD1 ILE 42 8.503 3.349 -4.331 324 H PHE 43 H PHE 43 5.850 -1.652 -1.752 325 HA PHE 43 HA PHE 43 5.349 -2.268 0.782 326 1HB PHE 43 1HB PHE 43 6.871 -3.822 -1.388 327 2HB PHE 43 2HB PHE 43 6.295 -4.607 0.069 328 HD1 PHE 43 HD1 PHE 43 5.272 -2.979 -3.060 329 HD2 PHE 43 HD2 PHE 43 3.960 -5.099 0.374 330 HE1 PHE 43 HE1 PHE 43 3.040 -3.358 -4.146 331 HE2 PHE 43 HE2 PHE 43 1.729 -5.477 -0.711 332 HZ PHE 43 HZ PHE 43 1.295 -4.602 -2.958 333 H ASP 44 H ASP 44 6.550 -3.517 2.476 334 HA ASP 44 HA ASP 44 9.131 -2.288 2.816 335 1HB ASP 44 1HB ASP 44 7.124 -2.623 4.569 336 2HB ASP 44 2HB ASP 44 7.888 -4.181 4.817 337 H LYS 45 H LYS 45 7.526 -5.553 2.908 338 HA LYS 45 HA LYS 45 9.331 -6.946 1.478 339 1HB LYS 45 1HB LYS 45 10.529 -6.185 3.994 340 2HB LYS 45 2HB LYS 45 10.375 -7.928 3.917 341 1HG LYS 45 1HG LYS 45 11.314 -7.623 1.447 342 2HG LYS 45 2HG LYS 45 11.883 -6.080 2.052 343 1HD LYS 45 1HD LYS 45 12.738 -7.665 4.091 344 2HD LYS 45 2HD LYS 45 12.751 -8.854 2.805 345 1HE LYS 45 1HE LYS 45 14.272 -7.518 1.460 346 2HE LYS 45 2HE LYS 45 14.071 -6.122 2.499 347 1HZ LYS 45 1HZ LYS 45 14.888 -8.048 4.189 348 2HZ LYS 45 2HZ LYS 45 15.752 -8.381 2.844 349 3HZ LYS 45 3HZ LYS 45 15.848 -6.903 3.531 350 H VAL 46 H VAL 46 8.855 -9.223 1.471 351 HA VAL 46 HA VAL 46 6.692 -9.971 3.306 352 HB VAL 46 HB VAL 46 5.596 -11.113 1.409 353 1HG1 VAL 46 1HG1 VAL 46 5.861 -8.177 1.697 354 2HG1 VAL 46 2HG1 VAL 46 5.135 -8.735 0.170 355 3HG1 VAL 46 3HG1 VAL 46 4.412 -9.212 1.726 356 1HG2 VAL 46 1HG2 VAL 46 8.026 -10.381 0.046 357 2HG2 VAL 46 2HG2 VAL 46 6.697 -11.429 -0.505 358 3HG2 VAL 46 3HG2 VAL 46 6.630 -9.675 -0.801 359 HA PRO 47 HA PRO 47 8.958 -13.621 3.743 360 1HB PRO 47 1HB PRO 47 7.034 -15.476 4.312 361 2HB PRO 47 2HB PRO 47 7.647 -14.338 5.495 362 1HG PRO 47 1HG PRO 47 5.059 -14.312 4.065 363 2HG PRO 47 2HG PRO 47 5.516 -13.457 5.526 364 1HD PRO 47 1HD PRO 47 5.289 -12.348 2.890 365 2HD PRO 47 2HD PRO 47 5.855 -11.524 4.329 366 H ALA 48 H ALA 48 9.553 -15.779 2.961 367 HA ALA 48 HA ALA 48 9.782 -15.895 0.305 368 1HB ALA 48 1HB ALA 48 10.330 -17.559 2.431 369 2HB ALA 48 2HB ALA 48 9.160 -18.527 1.503 370 3HB ALA 48 3HB ALA 48 10.652 -17.949 0.723 371 H GLY 49 H GLY 49 8.557 -16.352 -1.498 372 1HA GLY 49 1HA GLY 49 6.558 -17.844 -2.105 373 2HA GLY 49 2HA GLY 49 5.686 -16.795 -1.005 374 H GLU 50 H GLU 50 6.411 -14.263 -1.445 375 HA GLU 50 HA GLU 50 5.988 -13.949 -4.314 376 1HB GLU 50 1HB GLU 50 4.402 -13.060 -2.190 377 2HB GLU 50 2HB GLU 50 5.310 -11.627 -2.624 378 1HG GLU 50 1HG GLU 50 3.326 -11.609 -3.991 379 2HG GLU 50 2HG GLU 50 4.651 -12.035 -5.055 380 H SER 51 H SER 51 6.510 -11.210 -4.584 381 HA SER 51 HA SER 51 9.244 -10.996 -3.601 382 1HB SER 51 1HB SER 51 8.189 -10.683 -6.418 383 2HB SER 51 2HB SER 51 9.581 -9.743 -5.918 384 HG SER 51 HG SER 51 10.825 -11.519 -5.850 385 H ALA 52 H ALA 52 8.227 -9.633 -1.902 386 HA ALA 52 HA ALA 52 6.613 -7.471 -2.342 387 1HB ALA 52 1HB ALA 52 8.441 -8.455 -0.267 388 2HB ALA 52 2HB ALA 52 8.317 -6.680 -0.287 389 3HB ALA 52 3HB ALA 52 6.850 -7.674 -0.106 390 HA PRO 53 HA PRO 53 10.514 -4.936 -3.213 391 1HB PRO 53 1HB PRO 53 12.910 -6.192 -3.598 392 2HB PRO 53 2HB PRO 53 12.421 -5.511 -2.060 393 1HG PRO 53 1HG PRO 53 12.519 -8.349 -2.884 394 2HG PRO 53 2HG PRO 53 12.450 -7.677 -1.267 395 1HD PRO 53 1HD PRO 53 10.287 -8.876 -2.721 396 2HD PRO 53 2HD PRO 53 10.194 -8.101 -1.153 397 H ALA 54 H ALA 54 8.680 -5.822 -4.941 398 HA ALA 54 HA ALA 54 10.154 -5.533 -7.395 399 1HB ALA 54 1HB ALA 54 10.260 -7.990 -6.940 400 2HB ALA 54 2HB ALA 54 8.480 -8.030 -6.908 401 3HB ALA 54 3HB ALA 54 9.334 -7.595 -8.409 402 H LEU 55 H LEU 55 7.025 -6.268 -5.736 403 HA LEU 55 HA LEU 55 5.446 -5.210 -7.826 404 1HB LEU 55 1HB LEU 55 5.031 -6.129 -5.025 405 2HB LEU 55 2HB LEU 55 3.802 -5.098 -5.731 406 HG LEU 55 HG LEU 55 4.755 -7.756 -6.830 407 1HD1 LEU 55 1HD1 LEU 55 2.447 -6.920 -5.136 408 2HD1 LEU 55 2HD1 LEU 55 2.173 -8.173 -6.370 409 3HD1 LEU 55 3HD1 LEU 55 3.410 -8.417 -5.114 410 1HD2 LEU 55 1HD2 LEU 55 3.496 -5.570 -8.176 411 2HD2 LEU 55 2HD2 LEU 55 3.932 -7.177 -8.805 412 3HD2 LEU 55 3HD2 LEU 55 2.338 -6.916 -8.057 413 H SER 56 H SER 56 7.106 -3.851 -4.984 414 HA SER 56 HA SER 56 5.732 -1.513 -4.736 415 1HB SER 56 1HB SER 56 8.220 -0.663 -4.124 416 2HB SER 56 2HB SER 56 7.294 -1.704 -3.063 417 HG SER 56 HG SER 56 8.950 -3.047 -3.237 418 H ASN 57 H ASN 57 5.255 0.003 -6.282 419 HA ASN 57 HA ASN 57 7.221 0.347 -8.397 420 1HB ASN 57 1HB ASN 57 4.253 1.103 -8.287 421 2HB ASN 57 2HB ASN 57 5.299 1.406 -9.662 422 1HD2 ASN 57 2HD2 ASN 57 2.941 -0.129 -9.697 423 2HD2 ASN 57 1HD2 ASN 57 3.328 -1.767 -10.105 424 H THR 58 H THR 58 8.262 2.365 -8.549 425 HA THR 58 HA THR 58 7.517 4.366 -6.563 426 HB THR 58 HB THR 58 9.885 3.561 -6.770 427 HG1 THR 58 HG1 THR 58 10.650 5.886 -7.247 428 1HG2 THR 58 1HG2 THR 58 9.644 4.835 -9.546 429 2HG2 THR 58 2HG2 THR 58 11.188 4.424 -8.762 430 3HG2 THR 58 3HG2 THR 58 10.042 3.135 -9.201 431 H LYS 59 H LYS 59 5.732 3.856 -8.854 432 HA LYS 59 HA LYS 59 6.179 6.150 -10.559 433 1HB LYS 59 1HB LYS 59 4.211 5.327 -11.767 434 2HB LYS 59 2HB LYS 59 5.422 4.077 -11.573 435 1HG LYS 59 1HG LYS 59 4.180 3.062 -9.720 436 2HG LYS 59 2HG LYS 59 3.046 4.399 -9.684 437 1HD LYS 59 1HD LYS 59 3.414 2.725 -12.198 438 2HD LYS 59 2HD LYS 59 2.334 2.206 -10.918 439 1HE LYS 59 1HE LYS 59 1.170 4.473 -11.083 440 2HE LYS 59 2HE LYS 59 2.167 4.826 -12.480 441 1HZ LYS 59 1HZ LYS 59 1.277 2.775 -13.478 442 2HZ LYS 59 2HZ LYS 59 0.249 2.619 -12.218 443 3HZ LYS 59 3HZ LYS 59 0.134 3.911 -13.210 444 H LEU 60 H LEU 60 6.112 7.228 -8.141 445 HA LEU 60 HA LEU 60 3.838 7.668 -6.784 446 1HB LEU 60 1HB LEU 60 4.817 9.589 -5.943 447 2HB LEU 60 2HB LEU 60 6.170 8.575 -6.405 448 HG LEU 60 HG LEU 60 6.024 9.985 -8.654 449 1HD1 LEU 60 1HD1 LEU 60 3.950 11.176 -7.714 450 2HD1 LEU 60 2HD1 LEU 60 5.098 12.079 -6.695 451 3HD1 LEU 60 3HD1 LEU 60 5.220 12.170 -8.469 452 1HD2 LEU 60 1HD2 LEU 60 7.290 10.912 -6.064 453 2HD2 LEU 60 2HD2 LEU 60 8.006 9.858 -7.308 454 3HD2 LEU 60 3HD2 LEU 60 7.678 11.569 -7.671 455 H ALA 61 H ALA 61 1.808 8.265 -7.298 456 HA ALA 61 HA ALA 61 1.388 9.545 -9.870 457 1HB ALA 61 1HB ALA 61 -0.039 7.723 -8.125 458 2HB ALA 61 2HB ALA 61 -1.058 9.135 -8.497 459 3HB ALA 61 3HB ALA 61 -0.377 8.156 -9.819 460 H ILE 62 H ILE 62 1.584 11.731 -9.930 461 HA ILE 62 HA ILE 62 1.284 13.294 -7.577 462 HB ILE 62 HB ILE 62 1.583 14.037 -10.488 463 1HG1 ILE 62 1HG1 ILE 62 3.456 12.733 -9.481 464 2HG1 ILE 62 2HG1 ILE 62 3.906 14.335 -10.029 465 1HG2 ILE 62 1HG2 ILE 62 1.548 15.729 -7.989 466 2HG2 ILE 62 2HG2 ILE 62 2.358 16.251 -9.484 467 3HG2 ILE 62 3HG2 ILE 62 0.608 15.928 -9.488 468 1HD1 ILE 62 1HD1 ILE 62 3.421 15.098 -7.573 469 2HD1 ILE 62 2HD1 ILE 62 3.505 13.363 -7.184 470 3HD1 ILE 62 3HD1 ILE 62 4.915 14.185 -7.894 471 H ALA 63 H ALA 63 -0.660 12.845 -10.604 472 HA ALA 63 HA ALA 63 -2.735 14.551 -9.698 473 1HB ALA 63 1HB ALA 63 -2.126 13.963 -12.096 474 2HB ALA 63 2HB ALA 63 -2.872 12.372 -11.813 475 3HB ALA 63 3HB ALA 63 -3.858 13.850 -11.701 476 HA PRO 64 HA PRO 64 -4.894 11.746 -7.208 477 1HB PRO 64 1HB PRO 64 -7.372 12.898 -7.176 478 2HB PRO 64 2HB PRO 64 -6.046 13.448 -6.170 479 1HG PRO 64 1HG PRO 64 -7.162 14.690 -8.610 480 2HG PRO 64 2HG PRO 64 -6.152 15.413 -7.373 481 1HD PRO 64 1HD PRO 64 -5.323 14.560 -9.984 482 2HD PRO 64 2HD PRO 64 -4.294 15.175 -8.707 483 H GLY 65 H GLY 65 -5.873 9.786 -7.291 484 1HA GLY 65 1HA GLY 65 -8.017 9.124 -8.852 485 2HA GLY 65 2HA GLY 65 -6.639 8.933 -9.918 486 H SER 66 H SER 66 -7.600 6.597 -9.736 487 HA SER 66 HA SER 66 -6.723 5.307 -7.305 488 1HB SER 66 1HB SER 66 -7.989 3.392 -8.054 489 2HB SER 66 2HB SER 66 -8.979 4.811 -8.333 490 HG SER 66 HG SER 66 -8.058 4.766 -10.598 491 H PHE 67 H PHE 67 -4.532 4.876 -7.288 492 HA PHE 67 HA PHE 67 -2.777 4.810 -9.267 493 1HB PHE 67 1HB PHE 67 -3.195 3.399 -6.659 494 2HB PHE 67 2HB PHE 67 -2.045 2.582 -7.699 495 HD1 PHE 67 HD1 PHE 67 -0.087 3.975 -8.616 496 HD2 PHE 67 HD2 PHE 67 -2.525 5.239 -5.381 497 HE1 PHE 67 HE1 PHE 67 1.709 5.568 -7.884 498 HE2 PHE 67 HE2 PHE 67 -0.729 6.831 -4.650 499 HZ PHE 67 HZ PHE 67 1.367 6.977 -5.909 500 H TYR 68 H TYR 68 -4.039 1.630 -8.046 501 HA TYR 68 HA TYR 68 -5.032 0.665 -10.413 502 1HB TYR 68 1HB TYR 68 -2.911 -0.811 -10.955 503 2HB TYR 68 2HB TYR 68 -2.849 0.869 -11.451 504 HD1 TYR 68 HD1 TYR 68 -1.862 -1.396 -8.641 505 HD2 TYR 68 HD2 TYR 68 -1.074 2.239 -10.757 506 HE1 TYR 68 HE1 TYR 68 0.277 -1.073 -7.306 507 HE2 TYR 68 HE2 TYR 68 1.061 2.548 -9.414 508 HH TYR 68 HH TYR 68 2.275 0.029 -7.349 509 H SER 69 H SER 69 -4.910 -1.896 -10.448 510 HA SER 69 HA SER 69 -5.068 -2.696 -7.648 511 1HB SER 69 1HB SER 69 -6.450 -4.619 -9.151 512 2HB SER 69 2HB SER 69 -7.167 -3.343 -8.186 513 HG SER 69 HG SER 69 -7.314 -3.656 -10.847 514 H VAL 70 H VAL 70 -4.436 -4.994 -7.173 515 HA VAL 70 HA VAL 70 -2.880 -6.326 -9.205 516 HB VAL 70 HB VAL 70 -0.945 -6.456 -7.495 517 1HG1 VAL 70 1HG1 VAL 70 -1.398 -4.945 -9.760 518 2HG1 VAL 70 2HG1 VAL 70 -0.876 -3.726 -8.573 519 3HG1 VAL 70 3HG1 VAL 70 0.164 -5.126 -8.926 520 1HG2 VAL 70 1HG2 VAL 70 -2.452 -4.020 -6.521 521 2HG2 VAL 70 2HG2 VAL 70 -1.854 -5.408 -5.581 522 3HG2 VAL 70 3HG2 VAL 70 -0.704 -4.230 -6.257 523 H THR 71 H THR 71 -2.851 -8.547 -8.877 524 HA THR 71 HA THR 71 -4.489 -9.459 -6.644 525 HB THR 71 HB THR 71 -3.364 -11.060 -8.991 526 HG1 THR 71 HG1 THR 71 -5.844 -9.519 -8.687 527 1HG2 THR 71 1HG2 THR 71 -5.003 -11.774 -6.806 528 2HG2 THR 71 2HG2 THR 71 -6.154 -11.456 -8.128 529 3HG2 THR 71 3HG2 THR 71 -4.864 -12.665 -8.341 530 H LEU 72 H LEU 72 -3.861 -11.280 -5.308 531 HA LEU 72 HA LEU 72 -0.957 -11.624 -5.157 532 1HB LEU 72 1HB LEU 72 -2.825 -10.749 -2.971 533 2HB LEU 72 2HB LEU 72 -1.344 -11.611 -2.605 534 HG LEU 72 HG LEU 72 -1.394 -9.053 -4.219 535 1HD1 LEU 72 1HD1 LEU 72 -1.668 -9.459 -1.314 536 2HD1 LEU 72 2HD1 LEU 72 -0.391 -8.316 -1.795 537 3HD1 LEU 72 3HD1 LEU 72 -2.068 -8.052 -2.328 538 1HD2 LEU 72 1HD2 LEU 72 0.589 -10.656 -4.337 539 2HD2 LEU 72 2HD2 LEU 72 0.932 -8.963 -3.911 540 3HD2 LEU 72 3HD2 LEU 72 0.904 -10.212 -2.643 541 H GLY 73 H GLY 73 -0.380 -13.598 -3.806 542 1HA GLY 73 1HA GLY 73 -2.529 -15.581 -3.662 543 2HA GLY 73 2HA GLY 73 -1.194 -15.908 -4.749 544 H THR 74 H THR 74 1.042 -14.939 -3.401 545 HA THR 74 HA THR 74 1.687 -16.987 -1.690 546 HB THR 74 HB THR 74 2.734 -14.234 -2.338 547 HG1 THR 74 HG1 THR 74 4.057 -15.652 -3.419 548 1HG2 THR 74 1HG2 THR 74 3.100 -14.573 0.187 549 2HG2 THR 74 2HG2 THR 74 4.005 -16.049 -0.228 550 3HG2 THR 74 3HG2 THR 74 4.592 -14.462 -0.779 551 HA PRO 75 HA PRO 75 -0.558 -15.950 1.870 552 1HB PRO 75 1HB PRO 75 0.064 -18.178 3.324 553 2HB PRO 75 2HB PRO 75 -1.253 -18.125 2.170 554 1HG PRO 75 1HG PRO 75 1.397 -19.407 1.899 555 2HG PRO 75 2HG PRO 75 -0.060 -19.690 0.968 556 1HD PRO 75 1HD PRO 75 2.239 -18.186 0.143 557 2HD PRO 75 2HD PRO 75 0.737 -18.373 -0.739 558 H GLY 76 H GLY 76 -0.254 -14.873 3.784 559 1HA GLY 76 1HA GLY 76 1.518 -14.970 5.658 560 2HA GLY 76 2HA GLY 76 2.597 -14.454 4.377 561 H THR 77 H THR 77 2.623 -12.667 6.281 562 HA THR 77 HA THR 77 0.517 -10.698 5.741 563 HB THR 77 HB THR 77 1.188 -11.575 8.119 564 HG1 THR 77 HG1 THR 77 1.217 -8.798 7.186 565 1HG2 THR 77 1HG2 THR 77 3.738 -11.041 7.516 566 2HG2 THR 77 2HG2 THR 77 3.263 -9.375 7.925 567 3HG2 THR 77 3HG2 THR 77 3.113 -10.667 9.140 568 H TYR 78 H TYR 78 0.861 -9.022 4.432 569 HA TYR 78 HA TYR 78 3.632 -8.527 3.633 570 1HB TYR 78 1HB TYR 78 0.820 -7.836 2.592 571 2HB TYR 78 2HB TYR 78 2.259 -7.162 1.853 572 HD1 TYR 78 HD1 TYR 78 1.062 -10.564 2.927 573 HD2 TYR 78 HD2 TYR 78 2.953 -8.197 -0.094 574 HE1 TYR 78 HE1 TYR 78 1.267 -12.615 1.438 575 HE2 TYR 78 HE2 TYR 78 3.151 -10.257 -1.572 576 HH TYR 78 HH TYR 78 2.332 -12.336 -1.876 577 H SER 79 H SER 79 4.677 -6.609 4.044 578 HA SER 79 HA SER 79 3.047 -4.586 5.374 579 1HB SER 79 1HB SER 79 6.013 -4.871 5.890 580 2HB SER 79 2HB SER 79 4.789 -4.138 6.907 581 HG SER 79 HG SER 79 4.114 -6.117 7.626 582 H PHE 80 H PHE 80 3.369 -2.407 4.727 583 HA PHE 80 HA PHE 80 5.461 -1.929 2.756 584 1HB PHE 80 1HB PHE 80 3.627 -0.701 1.410 585 2HB PHE 80 2HB PHE 80 3.476 -2.447 1.417 586 HD1 PHE 80 HD1 PHE 80 1.954 -3.414 3.355 587 HD2 PHE 80 HD2 PHE 80 1.761 0.570 1.905 588 HE1 PHE 80 HE1 PHE 80 -0.387 -3.207 4.234 589 HE2 PHE 80 HE2 PHE 80 -0.580 0.777 2.784 590 HZ PHE 80 HZ PHE 80 -1.627 -1.114 3.939 591 H TYR 81 H TYR 81 4.859 0.675 2.050 592 HA TYR 81 HA TYR 81 4.029 2.277 4.212 593 1HB TYR 81 1HB TYR 81 6.321 3.096 4.830 594 2HB TYR 81 2HB TYR 81 6.221 1.368 5.106 595 HD1 TYR 81 HD1 TYR 81 7.335 3.871 2.559 596 HD2 TYR 81 HD2 TYR 81 7.802 -0.075 4.144 597 HE1 TYR 81 HE1 TYR 81 9.370 3.510 1.078 598 HE2 TYR 81 HE2 TYR 81 9.835 -0.424 2.658 599 HH TYR 81 HH TYR 81 10.782 0.399 0.684 600 H CYS 82 H CYS 82 4.679 4.663 3.800 601 HA CYS 82 HA CYS 82 4.526 5.043 0.921 602 1HB CYS 82 1HB CYS 82 3.013 6.096 2.891 603 2HB CYS 82 2HB CYS 82 4.241 7.342 2.776 604 H THR 83 H THR 83 6.457 5.424 -0.108 605 HA THR 83 HA THR 83 8.884 5.759 1.052 606 HB THR 83 HB THR 83 7.618 6.226 -1.592 607 HG1 THR 83 HG1 THR 83 8.987 4.398 -0.671 608 1HG2 THR 83 1HG2 THR 83 8.896 8.433 -1.177 609 2HG2 THR 83 2HG2 THR 83 10.365 7.441 -1.025 610 3HG2 THR 83 3HG2 THR 83 9.464 7.468 -2.561 611 HA PRO 84 HA PRO 84 8.302 10.427 1.133 612 1HB PRO 84 1HB PRO 84 5.845 11.525 0.662 613 2HB PRO 84 2HB PRO 84 7.080 11.374 -0.572 614 1HG PRO 84 1HG PRO 84 4.620 9.775 -0.206 615 2HG PRO 84 2HG PRO 84 5.627 9.931 -1.633 616 1HD PRO 84 1HD PRO 84 5.556 7.712 0.185 617 2HD PRO 84 2HD PRO 84 6.643 7.919 -1.174 618 H HIS 85 H HIS 85 5.046 9.369 2.033 619 HA HIS 85 HA HIS 85 5.342 10.683 4.550 620 1HB HIS 85 1HB HIS 85 3.163 8.794 3.627 621 2HB HIS 85 2HB HIS 85 3.086 9.906 4.978 622 HD2 HIS 85 HD2 HIS 85 3.478 12.765 3.966 623 HE1 HIS 85 HE1 HIS 85 1.377 11.803 0.392 624 HE2 HIS 85 HE2 HIS 85 2.221 13.689 1.951 625 H ARG 86 H ARG 86 7.411 9.459 5.064 626 HA ARG 86 HA ARG 86 6.838 6.757 5.923 627 1HB ARG 86 1HB ARG 86 9.280 6.489 6.091 628 2HB ARG 86 2HB ARG 86 8.885 7.179 4.531 629 1HG ARG 86 1HG ARG 86 9.276 9.501 5.641 630 2HG ARG 86 2HG ARG 86 10.003 8.618 6.969 631 1HD ARG 86 1HD ARG 86 11.659 7.595 5.432 632 2HD ARG 86 2HD ARG 86 10.896 8.366 4.056 633 HE ARG 86 HE ARG 86 11.632 10.322 6.072 634 1HH1 ARG 86 1HH1 ARG 86 12.933 8.354 3.459 635 2HH1 ARG 86 2HH1 ARG 86 14.257 9.423 3.142 636 1HH2 ARG 86 1HH2 ARG 86 13.380 11.733 5.652 637 2HH2 ARG 86 2HH2 ARG 86 14.514 11.358 4.397 638 H GLY 87 H GLY 87 7.923 9.990 7.067 639 1HA GLY 87 1HA GLY 87 8.167 9.060 9.818 640 2HA GLY 87 2HA GLY 87 8.525 10.656 9.191 641 H ALA 88 H ALA 88 5.808 10.539 7.652 642 HA ALA 88 HA ALA 88 4.333 11.917 9.627 643 1HB ALA 88 1HB ALA 88 4.352 12.177 7.051 644 2HB ALA 88 2HB ALA 88 3.230 10.795 7.039 645 3HB ALA 88 3HB ALA 88 2.782 12.295 7.883 646 H GLY 89 H GLY 89 4.910 8.601 9.110 647 1HA GLY 89 1HA GLY 89 4.086 6.820 10.244 648 2HA GLY 89 2HA GLY 89 2.930 7.862 11.050 649 H MET 90 H MET 90 3.631 6.588 7.712 650 HA MET 90 HA MET 90 0.765 6.079 7.512 651 1HB MET 90 1HB MET 90 1.366 8.029 6.098 652 2HB MET 90 2HB MET 90 2.701 7.146 5.385 653 1HG MET 90 1HG MET 90 1.313 5.848 4.029 654 2HG MET 90 2HG MET 90 -0.019 5.880 5.167 655 1HE MET 90 1HE MET 90 -0.959 6.118 2.490 656 2HE MET 90 2HE MET 90 -0.951 7.682 1.639 657 3HE MET 90 3HE MET 90 0.548 6.732 1.768 658 H VAL 91 H VAL 91 1.383 3.890 8.302 659 HA VAL 91 HA VAL 91 2.449 2.292 6.083 660 HB VAL 91 HB VAL 91 3.394 0.802 7.911 661 1HG1 VAL 91 1HG1 VAL 91 4.452 3.052 6.566 662 2HG1 VAL 91 2HG1 VAL 91 5.070 3.129 8.234 663 3HG1 VAL 91 3HG1 VAL 91 5.340 1.670 7.250 664 1HG2 VAL 91 1HG2 VAL 91 2.833 3.295 9.540 665 2HG2 VAL 91 2HG2 VAL 91 2.303 1.627 9.865 666 3HG2 VAL 91 3HG2 VAL 91 4.022 2.061 10.018 667 H GLY 92 H GLY 92 1.627 0.046 6.053 668 1HA GLY 92 1HA GLY 92 -0.759 -0.416 7.691 669 2HA GLY 92 2HA GLY 92 -0.955 -0.348 5.951 670 H THR 93 H THR 93 -1.717 -2.670 6.424 671 HA THR 93 HA THR 93 0.531 -4.434 5.899 672 HB THR 93 HB THR 93 -1.436 -5.221 8.072 673 HG1 THR 93 HG1 THR 93 1.114 -3.805 8.363 674 1HG2 THR 93 1HG2 THR 93 1.346 -5.974 7.156 675 2HG2 THR 93 2HG2 THR 93 0.975 -6.096 8.893 676 3HG2 THR 93 3HG2 THR 93 0.022 -7.027 7.712 677 H ILE 94 H ILE 94 -0.200 -6.608 5.156 678 HA ILE 94 HA ILE 94 -2.961 -6.731 4.325 679 HB ILE 94 HB ILE 94 -0.694 -6.505 2.347 680 1HG1 ILE 94 1HG1 ILE 94 -3.201 -4.858 2.790 681 2HG1 ILE 94 2HG1 ILE 94 -1.553 -4.360 3.113 682 1HG2 ILE 94 1HG2 ILE 94 -2.469 -8.380 1.978 683 2HG2 ILE 94 2HG2 ILE 94 -3.542 -7.025 1.550 684 3HG2 ILE 94 3HG2 ILE 94 -2.036 -7.289 0.639 685 1HD1 ILE 94 1HD1 ILE 94 -2.261 -5.327 0.338 686 2HD1 ILE 94 2HD1 ILE 94 -2.719 -3.681 0.834 687 3HD1 ILE 94 3HD1 ILE 94 -1.007 -4.168 0.839 688 H THR 95 H THR 95 -3.565 -8.731 4.933 689 HA THR 95 HA THR 95 -1.507 -10.827 4.882 690 HB THR 95 HB THR 95 -4.163 -10.585 6.392 691 HG1 THR 95 HG1 THR 95 -2.144 -9.196 6.864 692 1HG2 THR 95 1HG2 THR 95 -3.357 -12.975 5.981 693 2HG2 THR 95 2HG2 THR 95 -1.833 -12.532 6.786 694 3HG2 THR 95 3HG2 THR 95 -3.363 -12.500 7.696 695 H VAL 96 H VAL 96 -1.905 -12.865 3.947 696 HA VAL 96 HA VAL 96 -4.249 -12.911 2.181 697 HB VAL 96 HB VAL 96 -1.349 -13.362 1.566 698 1HG1 VAL 96 1HG1 VAL 96 -3.600 -14.985 0.604 699 2HG1 VAL 96 2HG1 VAL 96 -2.649 -14.242 -0.704 700 3HG1 VAL 96 3HG1 VAL 96 -1.848 -15.276 0.502 701 1HG2 VAL 96 1HG2 VAL 96 -3.019 -11.267 1.071 702 2HG2 VAL 96 2HG2 VAL 96 -1.595 -11.673 0.083 703 3HG2 VAL 96 3HG2 VAL 96 -3.213 -12.211 -0.425 704 H GLU 97 H GLU 97 -5.111 -14.092 4.138 705 HA GLU 97 HA GLU 97 -3.899 -16.613 4.676 706 1HB GLU 97 1HB GLU 97 -6.150 -14.990 5.764 707 2HB GLU 97 2HB GLU 97 -6.355 -16.724 5.906 708 1HG GLU 97 1HG GLU 97 -3.628 -16.080 6.622 709 2HG GLU 97 2HG GLU 97 -4.689 -14.992 7.494 Start of MODEL 4 1 H ALA 1 H ALA 1 -14.436 -8.916 -0.110 2 HA ALA 1 HA ALA 1 -12.979 -10.690 -1.918 3 1HB ALA 1 1HB ALA 1 -15.891 -9.845 -2.163 4 2HB ALA 1 2HB ALA 1 -14.940 -10.517 -3.510 5 3HB ALA 1 3HB ALA 1 -15.246 -11.501 -2.058 6 H SER 2 H SER 2 -11.495 -9.427 -2.911 7 HA SER 2 HA SER 2 -10.531 -7.715 -3.829 8 1HB SER 2 1HB SER 2 -12.142 -7.773 -5.587 9 2HB SER 2 2HB SER 2 -13.407 -7.106 -4.575 10 HG SER 2 HG SER 2 -11.913 -5.740 -6.240 11 H VAL 3 H VAL 3 -9.476 -6.332 -2.452 12 HA VAL 3 HA VAL 3 -11.156 -4.479 -0.906 13 HB VAL 3 HB VAL 3 -8.900 -4.501 0.503 14 1HG1 VAL 3 1HG1 VAL 3 -11.300 -6.311 0.608 15 2HG1 VAL 3 2HG1 VAL 3 -9.992 -6.501 1.800 16 3HG1 VAL 3 3HG1 VAL 3 -10.855 -4.950 1.665 17 1HG2 VAL 3 1HG2 VAL 3 -7.780 -6.093 -1.045 18 2HG2 VAL 3 2HG2 VAL 3 -7.892 -6.703 0.624 19 3HG2 VAL 3 3HG2 VAL 3 -9.000 -7.319 -0.625 20 H GLN 4 H GLN 4 -9.680 -2.471 -0.213 21 HA GLN 4 HA GLN 4 -7.921 -1.770 -2.391 22 1HB GLN 4 1HB GLN 4 -9.169 0.550 -2.414 23 2HB GLN 4 2HB GLN 4 -9.807 -0.786 -3.351 24 1HG GLN 4 1HG GLN 4 -11.260 -1.364 -1.294 25 2HG GLN 4 2HG GLN 4 -10.766 0.177 -0.621 26 1HE2 GLN 4 2HE2 GLN 4 -12.419 -1.427 -3.268 27 2HE2 GLN 4 1HE2 GLN 4 -13.382 -0.088 -3.799 28 H ILE 5 H ILE 5 -6.521 0.102 -1.867 29 HA ILE 5 HA ILE 5 -6.456 0.602 1.028 30 HB ILE 5 HB ILE 5 -4.302 -0.116 -0.910 31 1HG1 ILE 5 1HG1 ILE 5 -5.386 -1.750 0.686 32 2HG1 ILE 5 2HG1 ILE 5 -3.638 -1.651 0.752 33 1HG2 ILE 5 1HG2 ILE 5 -3.648 2.098 -0.058 34 2HG2 ILE 5 2HG2 ILE 5 -3.822 1.499 1.609 35 3HG2 ILE 5 3HG2 ILE 5 -2.582 0.802 0.539 36 1HD1 ILE 5 1HD1 ILE 5 -5.343 0.053 2.598 37 2HD1 ILE 5 2HD1 ILE 5 -4.954 -1.635 3.005 38 3HD1 ILE 5 3HD1 ILE 5 -3.646 -0.445 2.797 39 H LYS 6 H LYS 6 -7.048 2.651 1.466 40 HA LYS 6 HA LYS 6 -6.677 4.640 -0.631 41 1HB LYS 6 1HB LYS 6 -8.592 4.191 1.542 42 2HB LYS 6 2HB LYS 6 -8.022 5.846 1.474 43 1HG LYS 6 1HG LYS 6 -8.572 5.925 -0.975 44 2HG LYS 6 2HG LYS 6 -9.168 4.280 -0.887 45 1HD LYS 6 1HD LYS 6 -11.035 4.881 0.446 46 2HD LYS 6 2HD LYS 6 -10.287 6.364 1.006 47 1HE LYS 6 1HE LYS 6 -10.436 7.274 -1.358 48 2HE LYS 6 2HE LYS 6 -11.300 5.822 -1.826 49 1HZ LYS 6 1HZ LYS 6 -12.701 6.566 0.277 50 2HZ LYS 6 2HZ LYS 6 -12.201 8.035 -0.230 51 3HZ LYS 6 3HZ LYS 6 -13.043 7.066 -1.239 52 H MET 7 H MET 7 -5.155 6.228 -0.537 53 HA MET 7 HA MET 7 -3.478 6.178 1.832 54 1HB MET 7 1HB MET 7 -3.105 7.180 -1.037 55 2HB MET 7 2HB MET 7 -1.944 7.560 0.220 56 1HG MET 7 1HG MET 7 -1.250 5.316 0.457 57 2HG MET 7 2HG MET 7 -2.757 4.670 -0.161 58 1HE MET 7 1HE MET 7 -2.911 3.609 -1.828 59 2HE MET 7 2HE MET 7 -2.866 4.374 -3.435 60 3HE MET 7 3HE MET 7 -1.582 3.239 -2.953 61 H GLY 8 H GLY 8 -4.288 7.596 3.357 62 1HA GLY 8 1HA GLY 8 -4.074 9.931 3.972 63 2HA GLY 8 2HA GLY 8 -4.786 10.361 2.429 64 H THR 9 H THR 9 -5.665 10.910 5.288 65 HA THR 9 HA THR 9 -8.291 9.578 5.173 66 HB THR 9 HB THR 9 -8.283 10.232 7.673 67 HG1 THR 9 HG1 THR 9 -6.601 11.719 7.830 68 1HG2 THR 9 1HG2 THR 9 -6.473 8.227 6.362 69 2HG2 THR 9 2HG2 THR 9 -6.092 8.628 8.054 70 3HG2 THR 9 3HG2 THR 9 -7.697 7.983 7.632 71 H ASP 10 H ASP 10 -10.172 10.876 5.851 72 HA ASP 10 HA ASP 10 -10.337 13.147 4.336 73 1HB ASP 10 1HB ASP 10 -12.208 11.669 5.339 74 2HB ASP 10 2HB ASP 10 -12.010 12.581 6.822 75 H LYS 11 H LYS 11 -8.905 12.597 7.454 76 HA LYS 11 HA LYS 11 -9.238 15.346 8.323 77 1HB LYS 11 1HB LYS 11 -8.963 12.860 9.626 78 2HB LYS 11 2HB LYS 11 -7.483 13.734 9.968 79 1HG LYS 11 1HG LYS 11 -8.674 14.807 11.587 80 2HG LYS 11 2HG LYS 11 -9.395 15.727 10.281 81 1HD LYS 11 1HD LYS 11 -11.423 14.803 10.694 82 2HD LYS 11 2HD LYS 11 -10.774 13.194 10.449 83 1HE LYS 11 1HE LYS 11 -9.778 13.626 12.928 84 2HE LYS 11 2HE LYS 11 -11.142 14.724 13.018 85 1HZ LYS 11 1HZ LYS 11 -12.362 12.662 12.027 86 2HZ LYS 11 2HZ LYS 11 -11.140 11.844 12.737 87 3HZ LYS 11 3HZ LYS 11 -12.112 12.800 13.635 88 H TYR 12 H TYR 12 -7.929 15.111 5.832 89 HA TYR 12 HA TYR 12 -5.976 15.444 4.772 90 1HB TYR 12 1HB TYR 12 -6.603 17.434 6.864 91 2HB TYR 12 2HB TYR 12 -4.871 17.385 6.600 92 HD1 TYR 12 HD1 TYR 12 -3.929 17.932 4.354 93 HD2 TYR 12 HD2 TYR 12 -8.095 18.372 5.219 94 HE1 TYR 12 HE1 TYR 12 -4.204 19.416 2.309 95 HE2 TYR 12 HE2 TYR 12 -8.357 19.854 3.171 96 HH TYR 12 HH TYR 12 -7.288 20.999 1.633 97 H ALA 13 H ALA 13 -5.825 13.295 6.852 98 HA ALA 13 HA ALA 13 -3.060 13.644 7.749 99 1HB ALA 13 1HB ALA 13 -5.360 12.720 9.032 100 2HB ALA 13 2HB ALA 13 -4.478 11.230 8.619 101 3HB ALA 13 3HB ALA 13 -3.684 12.494 9.587 102 HA PRO 14 HA PRO 14 -2.094 11.009 4.380 103 1HB PRO 14 1HB PRO 14 0.621 11.288 4.514 104 2HB PRO 14 2HB PRO 14 -0.413 12.395 3.635 105 1HG PRO 14 1HG PRO 14 0.935 12.787 6.237 106 2HG PRO 14 2HG PRO 14 0.264 13.992 5.156 107 1HD PRO 14 1HD PRO 14 -0.906 13.030 7.592 108 2HD PRO 14 2HD PRO 14 -1.629 14.149 6.452 109 H LEU 15 H LEU 15 -3.011 9.162 5.398 110 HA LEU 15 HA LEU 15 -0.849 7.475 6.398 111 1HB LEU 15 1HB LEU 15 -2.202 8.593 8.266 112 2HB LEU 15 2HB LEU 15 -3.529 7.564 7.765 113 HG LEU 15 HG LEU 15 -1.049 6.063 8.178 114 1HD1 LEU 15 1HD1 LEU 15 -1.065 8.091 9.887 115 2HD1 LEU 15 2HD1 LEU 15 -2.211 7.037 10.748 116 3HD1 LEU 15 3HD1 LEU 15 -0.573 6.451 10.373 117 1HD2 LEU 15 1HD2 LEU 15 -3.479 5.252 7.928 118 2HD2 LEU 15 2HD2 LEU 15 -2.459 4.493 9.173 119 3HD2 LEU 15 3HD2 LEU 15 -3.663 5.719 9.636 120 H TYR 16 H TYR 16 -1.743 5.091 6.546 121 HA TYR 16 HA TYR 16 -3.064 4.632 3.988 122 1HB TYR 16 1HB TYR 16 -1.211 3.274 5.943 123 2HB TYR 16 2HB TYR 16 -2.330 2.191 5.141 124 HD1 TYR 16 HD1 TYR 16 -2.513 3.182 2.421 125 HD2 TYR 16 HD2 TYR 16 0.895 3.009 5.001 126 HE1 TYR 16 HE1 TYR 16 -0.977 3.102 0.397 127 HE2 TYR 16 HE2 TYR 16 2.420 2.930 2.969 128 HH TYR 16 HH TYR 16 2.510 3.289 0.775 129 H GLU 17 H GLU 17 -5.134 3.906 3.801 130 HA GLU 17 HA GLU 17 -6.302 2.692 6.166 131 1HB GLU 17 1HB GLU 17 -6.898 5.199 5.910 132 2HB GLU 17 2HB GLU 17 -7.826 4.729 4.500 133 1HG GLU 17 1HG GLU 17 -9.249 3.256 5.828 134 2HG GLU 17 2HG GLU 17 -8.222 3.440 7.236 135 HA PRO 18 HA PRO 18 -7.600 1.548 6.687 136 1HB PRO 18 1HB PRO 18 -7.800 -1.147 7.096 137 2HB PRO 18 2HB PRO 18 -9.192 -0.105 6.876 138 1HG PRO 18 1HG PRO 18 -7.984 -2.012 4.967 139 2HG PRO 18 2HG PRO 18 -9.581 -1.293 4.937 140 1HD PRO 18 1HD PRO 18 -7.334 -0.548 3.319 141 2HD PRO 18 2HD PRO 18 -8.896 0.245 3.372 142 H LYS 19 H LYS 19 -6.234 0.935 8.488 143 HA LYS 19 HA LYS 19 -3.555 1.012 7.693 144 1HB LYS 19 1HB LYS 19 -4.969 0.521 10.311 145 2HB LYS 19 2HB LYS 19 -3.224 0.399 10.194 146 1HG LYS 19 1HG LYS 19 -3.427 2.756 8.970 147 2HG LYS 19 2HG LYS 19 -4.983 2.826 9.772 148 1HD LYS 19 1HD LYS 19 -3.479 3.868 11.301 149 2HD LYS 19 2HD LYS 19 -3.736 2.268 11.964 150 1HE LYS 19 1HE LYS 19 -1.608 1.623 10.502 151 2HE LYS 19 2HE LYS 19 -1.301 3.348 10.521 152 1HZ LYS 19 1HZ LYS 19 -1.857 2.852 13.079 153 2HZ LYS 19 2HZ LYS 19 -1.114 1.461 12.654 154 3HZ LYS 19 3HZ LYS 19 -0.347 2.888 12.457 155 H ALA 20 H ALA 20 -5.765 -1.668 8.603 156 HA ALA 20 HA ALA 20 -3.640 -3.511 7.746 157 1HB ALA 20 1HB ALA 20 -4.243 -3.438 10.260 158 2HB ALA 20 2HB ALA 20 -5.788 -4.178 9.778 159 3HB ALA 20 3HB ALA 20 -4.257 -5.026 9.457 160 H LEU 21 H LEU 21 -4.302 -5.279 6.434 161 HA LEU 21 HA LEU 21 -7.116 -5.348 5.696 162 1HB LEU 21 1HB LEU 21 -6.455 -3.885 4.045 163 2HB LEU 21 2HB LEU 21 -4.854 -4.583 3.900 164 HG LEU 21 HG LEU 21 -5.814 -6.568 2.785 165 1HD1 LEU 21 1HD1 LEU 21 -8.184 -5.866 3.942 166 2HD1 LEU 21 2HD1 LEU 21 -8.430 -5.319 2.265 167 3HD1 LEU 21 3HD1 LEU 21 -8.003 -7.015 2.596 168 1HD2 LEU 21 1HD2 LEU 21 -5.872 -3.831 1.728 169 2HD2 LEU 21 2HD2 LEU 21 -5.151 -5.313 1.057 170 3HD2 LEU 21 3HD2 LEU 21 -6.882 -4.980 0.818 171 H SER 22 H SER 22 -7.830 -7.409 5.104 172 HA SER 22 HA SER 22 -5.739 -9.435 5.069 173 1HB SER 22 1HB SER 22 -6.975 -9.321 7.291 174 2HB SER 22 2HB SER 22 -8.447 -9.745 6.438 175 HG SER 22 HG SER 22 -7.429 -11.627 7.350 176 H ILE 23 H ILE 23 -6.127 -11.217 3.638 177 HA ILE 23 HA ILE 23 -8.657 -11.358 2.272 178 HB ILE 23 HB ILE 23 -7.769 -11.031 0.055 179 1HG1 ILE 23 1HG1 ILE 23 -5.166 -10.039 1.213 180 2HG1 ILE 23 2HG1 ILE 23 -5.385 -11.725 0.788 181 1HG2 ILE 23 1HG2 ILE 23 -8.714 -9.117 1.353 182 2HG2 ILE 23 2HG2 ILE 23 -7.049 -8.641 1.768 183 3HG2 ILE 23 3HG2 ILE 23 -7.576 -8.645 0.068 184 1HD1 ILE 23 1HD1 ILE 23 -6.395 -10.083 -1.378 185 2HD1 ILE 23 2HD1 ILE 23 -4.746 -9.562 -0.957 186 3HD1 ILE 23 3HD1 ILE 23 -5.057 -11.257 -1.400 187 H SER 24 H SER 24 -8.094 -13.097 0.259 188 HA SER 24 HA SER 24 -6.648 -15.209 1.661 189 1HB SER 24 1HB SER 24 -9.042 -15.550 -0.200 190 2HB SER 24 2HB SER 24 -8.228 -16.827 0.684 191 HG SER 24 HG SER 24 -9.718 -16.416 2.175 192 H ALA 25 H ALA 25 -5.761 -16.942 0.116 193 HA ALA 25 HA ALA 25 -4.173 -15.738 -1.827 194 1HB ALA 25 1HB ALA 25 -4.934 -18.603 -1.186 195 2HB ALA 25 2HB ALA 25 -3.791 -18.196 -2.488 196 3HB ALA 25 3HB ALA 25 -3.420 -17.747 -0.807 197 H GLY 26 H GLY 26 -5.007 -14.702 -3.587 198 1HA GLY 26 1HA GLY 26 -5.737 -15.340 -5.865 199 2HA GLY 26 2HA GLY 26 -7.101 -16.139 -5.108 200 H ASP 27 H ASP 27 -6.681 -13.626 -3.051 201 HA ASP 27 HA ASP 27 -8.802 -12.180 -4.256 202 1HB ASP 27 1HB ASP 27 -7.200 -11.970 -1.693 203 2HB ASP 27 2HB ASP 27 -8.220 -10.626 -2.170 204 H THR 28 H THR 28 -8.491 -9.551 -4.022 205 HA THR 28 HA THR 28 -5.832 -8.858 -5.073 206 HB THR 28 HB THR 28 -8.516 -7.838 -6.134 207 HG1 THR 28 HG1 THR 28 -8.087 -10.152 -6.534 208 1HG2 THR 28 1HG2 THR 28 -6.437 -6.409 -6.548 209 2HG2 THR 28 2HG2 THR 28 -5.712 -7.816 -7.362 210 3HG2 THR 28 3HG2 THR 28 -7.177 -7.059 -8.031 211 H VAL 29 H VAL 29 -5.248 -6.576 -4.816 212 HA VAL 29 HA VAL 29 -6.809 -5.240 -2.735 213 HB VAL 29 HB VAL 29 -3.822 -5.712 -2.654 214 1HG1 VAL 29 1HG1 VAL 29 -5.669 -4.215 -0.766 215 2HG1 VAL 29 2HG1 VAL 29 -3.976 -4.634 -0.410 216 3HG1 VAL 29 3HG1 VAL 29 -4.356 -3.531 -1.754 217 1HG2 VAL 29 1HG2 VAL 29 -6.106 -7.191 -1.540 218 2HG2 VAL 29 2HG2 VAL 29 -4.409 -7.686 -1.754 219 3HG2 VAL 29 3HG2 VAL 29 -4.887 -6.735 -0.326 220 H GLU 30 H GLU 30 -7.460 -3.393 -3.717 221 HA GLU 30 HA GLU 30 -5.776 -2.277 -5.754 222 1HB GLU 30 1HB GLU 30 -8.358 -2.491 -5.834 223 2HB GLU 30 2HB GLU 30 -8.399 -1.132 -4.727 224 1HG GLU 30 1HG GLU 30 -6.604 -0.713 -7.056 225 2HG GLU 30 2HG GLU 30 -8.284 -0.939 -7.499 226 H PHE 31 H PHE 31 -5.614 0.287 -5.719 227 HA PHE 31 HA PHE 31 -5.290 1.292 -3.019 228 1HB PHE 31 1HB PHE 31 -3.123 0.888 -5.152 229 2HB PHE 31 2HB PHE 31 -2.925 2.103 -3.905 230 HD1 PHE 31 HD1 PHE 31 -3.541 -1.539 -4.358 231 HD2 PHE 31 HD2 PHE 31 -2.012 1.518 -1.842 232 HE1 PHE 31 HE1 PHE 31 -2.610 -3.280 -2.809 233 HE2 PHE 31 HE2 PHE 31 -1.080 -0.224 -0.293 234 HZ PHE 31 HZ PHE 31 -1.390 -2.602 -0.795 235 H VAL 32 H VAL 32 -6.187 3.293 -2.974 236 HA VAL 32 HA VAL 32 -6.003 4.877 -5.442 237 HB VAL 32 HB VAL 32 -8.256 3.867 -5.005 238 1HG1 VAL 32 1HG1 VAL 32 -7.815 4.603 -2.386 239 2HG1 VAL 32 2HG1 VAL 32 -8.943 5.858 -2.953 240 3HG1 VAL 32 3HG1 VAL 32 -9.386 4.139 -3.081 241 1HG2 VAL 32 1HG2 VAL 32 -7.553 6.390 -5.923 242 2HG2 VAL 32 2HG2 VAL 32 -9.134 5.599 -6.123 243 3HG2 VAL 32 3HG2 VAL 32 -8.864 6.720 -4.766 244 H MET 33 H MET 33 -5.994 7.238 -5.081 245 HA MET 33 HA MET 33 -4.611 7.790 -2.598 246 1HB MET 33 1HB MET 33 -3.906 8.419 -5.117 247 2HB MET 33 2HB MET 33 -4.985 9.777 -4.870 248 1HG MET 33 1HG MET 33 -3.453 9.740 -2.513 249 2HG MET 33 2HG MET 33 -2.294 9.301 -3.751 250 1HE MET 33 1HE MET 33 -4.853 11.718 -2.436 251 2HE MET 33 2HE MET 33 -4.709 13.184 -3.436 252 3HE MET 33 3HE MET 33 -5.541 11.748 -4.077 253 H ASN 34 H ASN 34 -5.563 8.904 -0.941 254 HA ASN 34 HA ASN 34 -8.227 9.842 -1.381 255 1HB ASN 34 1HB ASN 34 -6.505 9.133 0.925 256 2HB ASN 34 2HB ASN 34 -7.468 10.565 1.232 257 1HD2 ASN 34 2HD2 ASN 34 -9.077 9.941 2.469 258 2HD2 ASN 34 1HD2 ASN 34 -10.181 8.641 2.162 259 H LYS 35 H LYS 35 -5.185 11.185 0.137 260 HA LYS 35 HA LYS 35 -5.286 13.573 -1.348 261 1HB LYS 35 1HB LYS 35 -5.795 15.113 0.569 262 2HB LYS 35 2HB LYS 35 -7.169 14.223 -0.056 263 1HG LYS 35 1HG LYS 35 -6.051 12.543 1.945 264 2HG LYS 35 2HG LYS 35 -5.993 14.157 2.624 265 1HD LYS 35 1HD LYS 35 -8.534 13.298 1.239 266 2HD LYS 35 2HD LYS 35 -8.194 12.623 2.820 267 1HE LYS 35 1HE LYS 35 -9.495 14.627 3.188 268 2HE LYS 35 2HE LYS 35 -7.856 14.996 3.687 269 1HZ LYS 35 1HZ LYS 35 -8.261 15.525 0.938 270 2HZ LYS 35 2HZ LYS 35 -9.310 16.365 1.866 271 3HZ LYS 35 3HZ LYS 35 -7.703 16.515 2.111 272 H VAL 36 H VAL 36 -3.840 15.288 0.267 273 HA VAL 36 HA VAL 36 -1.702 15.649 0.755 274 HB VAL 36 HB VAL 36 -1.848 13.223 2.524 275 1HG1 VAL 36 1HG1 VAL 36 -0.393 15.823 2.477 276 2HG1 VAL 36 2HG1 VAL 36 -0.896 15.204 4.069 277 3HG1 VAL 36 3HG1 VAL 36 0.144 14.213 3.018 278 1HG2 VAL 36 1HG2 VAL 36 -3.457 15.771 2.750 279 2HG2 VAL 36 2HG2 VAL 36 -4.006 14.083 2.885 280 3HG2 VAL 36 3HG2 VAL 36 -3.022 14.806 4.181 281 H GLY 37 H GLY 37 -1.518 14.741 -1.645 282 1HA GLY 37 1HA GLY 37 0.093 12.285 -1.682 283 2HA GLY 37 2HA GLY 37 -0.661 13.074 -3.053 284 HA PRO 38 HA PRO 38 0.604 12.246 -4.251 285 1HB PRO 38 1HB PRO 38 2.805 11.143 -5.436 286 2HB PRO 38 2HB PRO 38 1.895 12.461 -6.145 287 1HG PRO 38 1HG PRO 38 4.526 12.539 -4.803 288 2HG PRO 38 2HG PRO 38 3.804 13.725 -5.873 289 1HD PRO 38 1HD PRO 38 4.009 13.890 -3.016 290 2HD PRO 38 2HD PRO 38 3.185 15.017 -4.075 291 H HIS 39 H HIS 39 1.454 9.716 -4.668 292 HA HIS 39 HA HIS 39 2.423 8.826 -2.086 293 1HB HIS 39 1HB HIS 39 -0.239 7.959 -3.248 294 2HB HIS 39 2HB HIS 39 0.570 7.163 -1.911 295 HD2 HIS 39 HD2 HIS 39 -1.218 10.615 -2.642 296 HE1 HIS 39 HE1 HIS 39 -0.917 10.098 1.571 297 HE2 HIS 39 HE2 HIS 39 -1.812 11.573 -0.356 298 H ASN 40 H ASN 40 2.075 6.074 -2.435 299 HA ASN 40 HA ASN 40 2.584 5.167 -4.981 300 1HB ASN 40 1HB ASN 40 5.128 4.540 -4.375 301 2HB ASN 40 2HB ASN 40 4.743 6.053 -5.172 302 1HD2 ASN 40 2HD2 ASN 40 6.835 6.631 -4.213 303 2HD2 ASN 40 1HD2 ASN 40 6.882 7.293 -2.614 304 H VAL 41 H VAL 41 3.411 2.786 -4.856 305 HA VAL 41 HA VAL 41 2.675 1.688 -2.233 306 HB VAL 41 HB VAL 41 2.576 0.377 -4.955 307 1HG1 VAL 41 1HG1 VAL 41 2.652 -0.825 -2.494 308 2HG1 VAL 41 2HG1 VAL 41 0.900 -0.648 -2.754 309 3HG1 VAL 41 3HG1 VAL 41 1.894 -1.520 -3.947 310 1HG2 VAL 41 1HG2 VAL 41 0.936 2.418 -4.137 311 2HG2 VAL 41 2HG2 VAL 41 0.491 1.153 -5.307 312 3HG2 VAL 41 3HG2 VAL 41 0.032 0.984 -3.595 313 H ILE 42 H ILE 42 4.811 1.958 -1.345 314 HA ILE 42 HA ILE 42 6.825 0.268 -2.652 315 HB ILE 42 HB ILE 42 7.045 2.694 -0.883 316 1HG1 ILE 42 1HG1 ILE 42 7.935 2.038 -3.702 317 2HG1 ILE 42 2HG1 ILE 42 6.742 3.222 -3.204 318 1HG2 ILE 42 1HG2 ILE 42 8.791 0.428 -0.902 319 2HG2 ILE 42 2HG2 ILE 42 9.625 1.803 -1.663 320 3HG2 ILE 42 3HG2 ILE 42 8.954 1.967 -0.022 321 1HD1 ILE 42 1HD1 ILE 42 9.190 3.769 -1.773 322 2HD1 ILE 42 2HD1 ILE 42 9.568 3.589 -3.503 323 3HD1 ILE 42 3HD1 ILE 42 8.359 4.785 -2.975 324 H PHE 43 H PHE 43 6.184 -1.747 -1.824 325 HA PHE 43 HA PHE 43 5.380 -2.213 0.773 326 1HB PHE 43 1HB PHE 43 6.991 -3.896 -1.237 327 2HB PHE 43 2HB PHE 43 6.203 -4.578 0.170 328 HD1 PHE 43 HD1 PHE 43 3.734 -4.647 0.296 329 HD2 PHE 43 HD2 PHE 43 5.739 -3.307 -3.195 330 HE1 PHE 43 HE1 PHE 43 1.623 -4.942 -1.029 331 HE2 PHE 43 HE2 PHE 43 3.628 -3.601 -4.521 332 HZ PHE 43 HZ PHE 43 1.595 -4.415 -3.422 333 H ASP 44 H ASP 44 6.591 -3.518 2.470 334 HA ASP 44 HA ASP 44 9.135 -2.226 2.858 335 1HB ASP 44 1HB ASP 44 7.084 -2.692 4.572 336 2HB ASP 44 2HB ASP 44 7.984 -4.171 4.846 337 H LYS 45 H LYS 45 7.605 -5.528 2.898 338 HA LYS 45 HA LYS 45 9.464 -6.861 1.476 339 1HB LYS 45 1HB LYS 45 10.610 -6.100 4.014 340 2HB LYS 45 2HB LYS 45 10.490 -7.846 3.924 341 1HG LYS 45 1HG LYS 45 11.495 -7.597 1.519 342 2HG LYS 45 2HG LYS 45 11.921 -5.968 2.007 343 1HD LYS 45 1HD LYS 45 13.644 -6.691 3.317 344 2HD LYS 45 2HD LYS 45 12.669 -7.945 4.057 345 1HE LYS 45 1HE LYS 45 12.962 -9.339 1.953 346 2HE LYS 45 2HE LYS 45 14.045 -8.109 1.334 347 1HZ LYS 45 1HZ LYS 45 14.541 -9.241 3.971 348 2HZ LYS 45 2HZ LYS 45 14.978 -10.085 2.644 349 3HZ LYS 45 3HZ LYS 45 15.604 -8.601 2.909 350 H VAL 46 H VAL 46 8.983 -9.114 1.373 351 HA VAL 46 HA VAL 46 6.838 -9.950 3.194 352 HB VAL 46 HB VAL 46 5.660 -10.951 1.357 353 1HG1 VAL 46 1HG1 VAL 46 6.245 -8.064 1.423 354 2HG1 VAL 46 2HG1 VAL 46 5.569 -8.638 -0.121 355 3HG1 VAL 46 3HG1 VAL 46 4.686 -8.921 1.399 356 1HG2 VAL 46 1HG2 VAL 46 8.180 -10.535 -0.054 357 2HG2 VAL 46 2HG2 VAL 46 6.831 -11.638 -0.421 358 3HG2 VAL 46 3HG2 VAL 46 6.783 -9.952 -0.990 359 HA PRO 47 HA PRO 47 9.176 -13.561 3.575 360 1HB PRO 47 1HB PRO 47 7.285 -15.456 4.125 361 2HB PRO 47 2HB PRO 47 7.885 -14.325 5.321 362 1HG PRO 47 1HG PRO 47 5.291 -14.320 3.902 363 2HG PRO 47 2HG PRO 47 5.739 -13.479 5.374 364 1HD PRO 47 1HD PRO 47 5.482 -12.337 2.755 365 2HD PRO 47 2HD PRO 47 6.042 -11.524 4.204 366 H ALA 48 H ALA 48 9.781 -15.719 2.772 367 HA ALA 48 HA ALA 48 10.008 -15.789 0.109 368 1HB ALA 48 1HB ALA 48 9.740 -17.976 2.179 369 2HB ALA 48 2HB ALA 48 9.997 -18.376 0.463 370 3HB ALA 48 3HB ALA 48 11.198 -17.396 1.339 371 H GLY 49 H GLY 49 8.761 -16.169 -1.686 372 1HA GLY 49 1HA GLY 49 6.810 -17.685 -2.356 373 2HA GLY 49 2HA GLY 49 5.914 -16.744 -1.180 374 H GLU 50 H GLU 50 6.215 -14.212 -1.451 375 HA GLU 50 HA GLU 50 5.679 -13.723 -4.249 376 1HB GLU 50 1HB GLU 50 4.427 -12.880 -1.911 377 2HB GLU 50 2HB GLU 50 5.361 -11.466 -2.360 378 1HG GLU 50 1HG GLU 50 4.028 -12.696 -4.688 379 2HG GLU 50 2HG GLU 50 2.883 -12.232 -3.444 380 H SER 51 H SER 51 6.295 -11.031 -4.550 381 HA SER 51 HA SER 51 9.135 -10.936 -3.907 382 1HB SER 51 1HB SER 51 8.137 -11.389 -6.457 383 2HB SER 51 2HB SER 51 8.348 -9.649 -6.462 384 HG SER 51 HG SER 51 10.436 -11.406 -5.531 385 H ALA 52 H ALA 52 8.342 -9.558 -2.089 386 HA ALA 52 HA ALA 52 6.813 -7.284 -2.425 387 1HB ALA 52 1HB ALA 52 8.348 -8.571 -0.389 388 2HB ALA 52 2HB ALA 52 8.829 -6.858 -0.417 389 3HB ALA 52 3HB ALA 52 7.118 -7.298 -0.201 390 HA PRO 53 HA PRO 53 10.864 -5.004 -3.294 391 1HB PRO 53 1HB PRO 53 13.180 -6.401 -3.688 392 2HB PRO 53 2HB PRO 53 12.731 -5.707 -2.143 393 1HG PRO 53 1HG PRO 53 12.656 -8.536 -2.997 394 2HG PRO 53 2HG PRO 53 12.625 -7.879 -1.372 395 1HD PRO 53 1HD PRO 53 10.396 -8.927 -2.841 396 2HD PRO 53 2HD PRO 53 10.347 -8.163 -1.265 397 H ALA 54 H ALA 54 8.984 -5.760 -5.032 398 HA ALA 54 HA ALA 54 10.454 -5.497 -7.480 399 1HB ALA 54 1HB ALA 54 9.973 -8.095 -6.615 400 2HB ALA 54 2HB ALA 54 8.606 -7.772 -7.709 401 3HB ALA 54 3HB ALA 54 10.277 -7.596 -8.298 402 H LEU 55 H LEU 55 7.315 -6.204 -5.828 403 HA LEU 55 HA LEU 55 5.762 -5.067 -7.902 404 1HB LEU 55 1HB LEU 55 5.299 -6.036 -5.118 405 2HB LEU 55 2HB LEU 55 4.081 -5.018 -5.860 406 HG LEU 55 HG LEU 55 5.121 -7.558 -7.135 407 1HD1 LEU 55 1HD1 LEU 55 4.112 -8.111 -4.984 408 2HD1 LEU 55 2HD1 LEU 55 2.650 -7.195 -5.419 409 3HD1 LEU 55 3HD1 LEU 55 3.085 -8.660 -6.331 410 1HD2 LEU 55 1HD2 LEU 55 4.104 -5.911 -8.665 411 2HD2 LEU 55 2HD2 LEU 55 3.155 -7.412 -8.543 412 3HD2 LEU 55 3HD2 LEU 55 2.616 -5.946 -7.690 413 H SER 56 H SER 56 7.468 -3.823 -5.049 414 HA SER 56 HA SER 56 6.190 -1.546 -4.520 415 1HB SER 56 1HB SER 56 9.201 -1.515 -4.880 416 2HB SER 56 2HB SER 56 8.245 -0.707 -3.653 417 HG SER 56 HG SER 56 7.727 -2.811 -2.745 418 H ASN 57 H ASN 57 5.721 0.385 -5.556 419 HA ASN 57 HA ASN 57 7.143 0.847 -8.057 420 1HB ASN 57 1HB ASN 57 4.258 0.549 -7.546 421 2HB ASN 57 2HB ASN 57 4.605 2.107 -8.269 422 1HD2 ASN 57 2HD2 ASN 57 4.097 1.955 -10.323 423 2HD2 ASN 57 1HD2 ASN 57 4.621 0.739 -11.439 424 H THR 58 H THR 58 8.555 2.363 -6.895 425 HA THR 58 HA THR 58 7.636 4.350 -5.166 426 HB THR 58 HB THR 58 10.011 3.521 -5.459 427 HG1 THR 58 HG1 THR 58 10.783 5.897 -5.532 428 1HG2 THR 58 1HG2 THR 58 9.674 5.049 -8.073 429 2HG2 THR 58 2HG2 THR 58 11.264 4.955 -7.276 430 3HG2 THR 58 3HG2 THR 58 10.445 3.466 -7.809 431 H LYS 59 H LYS 59 7.174 3.997 -8.566 432 HA LYS 59 HA LYS 59 7.268 6.540 -9.518 433 1HB LYS 59 1HB LYS 59 6.798 4.608 -10.906 434 2HB LYS 59 2HB LYS 59 5.261 4.345 -10.106 435 1HG LYS 59 1HG LYS 59 5.565 7.102 -11.150 436 2HG LYS 59 2HG LYS 59 5.658 5.882 -12.404 437 1HD LYS 59 1HD LYS 59 3.482 5.384 -10.452 438 2HD LYS 59 2HD LYS 59 3.304 6.901 -11.311 439 1HE LYS 59 1HE LYS 59 2.510 5.756 -13.099 440 2HE LYS 59 2HE LYS 59 4.086 5.016 -13.292 441 1HZ LYS 59 1HZ LYS 59 2.159 3.961 -11.362 442 2HZ LYS 59 2HZ LYS 59 2.116 3.510 -12.930 443 3HZ LYS 59 3HZ LYS 59 3.444 3.206 -12.029 444 H LEU 60 H LEU 60 6.741 8.211 -8.116 445 HA LEU 60 HA LEU 60 4.400 8.164 -6.540 446 1HB LEU 60 1HB LEU 60 4.966 10.673 -6.382 447 2HB LEU 60 2HB LEU 60 6.038 9.488 -5.665 448 HG LEU 60 HG LEU 60 6.767 10.135 -8.428 449 1HD1 LEU 60 1HD1 LEU 60 6.213 12.336 -6.532 450 2HD1 LEU 60 2HD1 LEU 60 7.791 12.397 -7.355 451 3HD1 LEU 60 3HD1 LEU 60 6.291 12.333 -8.310 452 1HD2 LEU 60 1HD2 LEU 60 8.051 9.648 -5.806 453 2HD2 LEU 60 2HD2 LEU 60 8.498 9.086 -7.435 454 3HD2 LEU 60 3HD2 LEU 60 8.925 10.734 -6.914 455 H ALA 61 H ALA 61 2.515 7.793 -7.685 456 HA ALA 61 HA ALA 61 2.024 9.297 -10.097 457 1HB ALA 61 1HB ALA 61 1.088 6.873 -8.841 458 2HB ALA 61 2HB ALA 61 -0.303 7.924 -9.198 459 3HB ALA 61 3HB ALA 61 0.812 7.450 -10.502 460 H ILE 62 H ILE 62 1.668 11.462 -9.764 461 HA ILE 62 HA ILE 62 0.346 12.389 -7.422 462 HB ILE 62 HB ILE 62 2.124 13.609 -8.628 463 1HG1 ILE 62 1HG1 ILE 62 0.932 15.853 -8.564 464 2HG1 ILE 62 2HG1 ILE 62 -0.545 14.976 -8.218 465 1HG2 ILE 62 1HG2 ILE 62 1.234 13.009 -10.926 466 2HG2 ILE 62 2HG2 ILE 62 0.035 14.305 -10.698 467 3HG2 ILE 62 3HG2 ILE 62 1.773 14.691 -10.698 468 1HD1 ILE 62 1HD1 ILE 62 2.002 14.669 -6.569 469 2HD1 ILE 62 2HD1 ILE 62 0.689 15.799 -6.160 470 3HD1 ILE 62 3HD1 ILE 62 0.383 14.045 -6.172 471 H ALA 63 H ALA 63 -0.542 12.153 -10.932 472 HA ALA 63 HA ALA 63 -2.987 13.230 -10.945 473 1HB ALA 63 1HB ALA 63 -1.794 10.808 -12.278 474 2HB ALA 63 2HB ALA 63 -3.514 11.186 -12.540 475 3HB ALA 63 3HB ALA 63 -2.264 12.374 -12.982 476 HA PRO 64 HA PRO 64 -4.862 10.787 -7.759 477 1HB PRO 64 1HB PRO 64 -6.723 12.641 -7.008 478 2HB PRO 64 2HB PRO 64 -5.121 12.551 -6.303 479 1HG PRO 64 1HG PRO 64 -6.178 14.500 -8.257 480 2HG PRO 64 2HG PRO 64 -4.761 14.630 -7.235 481 1HD PRO 64 1HD PRO 64 -4.804 14.043 -10.042 482 2HD PRO 64 2HD PRO 64 -3.398 14.058 -8.996 483 H GLY 65 H GLY 65 -6.335 9.207 -7.950 484 1HA GLY 65 1HA GLY 65 -8.880 9.596 -8.989 485 2HA GLY 65 2HA GLY 65 -7.860 9.131 -10.337 486 H SER 66 H SER 66 -6.136 7.254 -9.506 487 HA SER 66 HA SER 66 -6.889 5.477 -7.605 488 1HB SER 66 1HB SER 66 -7.972 3.663 -9.060 489 2HB SER 66 2HB SER 66 -8.993 5.018 -8.625 490 HG SER 66 HG SER 66 -8.724 5.915 -10.707 491 H PHE 67 H PHE 67 -4.595 5.308 -7.513 492 HA PHE 67 HA PHE 67 -2.784 5.093 -9.433 493 1HB PHE 67 1HB PHE 67 -3.247 3.937 -6.712 494 2HB PHE 67 2HB PHE 67 -2.062 3.038 -7.639 495 HD1 PHE 67 HD1 PHE 67 -2.877 6.580 -6.766 496 HD2 PHE 67 HD2 PHE 67 0.144 3.686 -7.483 497 HE1 PHE 67 HE1 PHE 67 -1.119 8.263 -6.153 498 HE2 PHE 67 HE2 PHE 67 1.902 5.370 -6.869 499 HZ PHE 67 HZ PHE 67 1.249 7.638 -6.212 500 H TYR 68 H TYR 68 -3.651 1.947 -7.912 501 HA TYR 68 HA TYR 68 -4.700 0.742 -10.202 502 1HB TYR 68 1HB TYR 68 -2.577 -0.631 -10.709 503 2HB TYR 68 2HB TYR 68 -2.434 1.063 -11.133 504 HD1 TYR 68 HD1 TYR 68 -1.788 -1.205 -8.209 505 HD2 TYR 68 HD2 TYR 68 -0.521 2.202 -10.467 506 HE1 TYR 68 HE1 TYR 68 0.296 -1.012 -6.765 507 HE2 TYR 68 HE2 TYR 68 1.558 2.382 -9.015 508 HH TYR 68 HH TYR 68 2.493 -0.118 -6.889 509 H SER 69 H SER 69 -4.288 -1.841 -9.987 510 HA SER 69 HA SER 69 -4.366 -2.397 -7.126 511 1HB SER 69 1HB SER 69 -6.641 -2.569 -7.790 512 2HB SER 69 2HB SER 69 -6.238 -3.301 -9.330 513 HG SER 69 HG SER 69 -6.655 -5.149 -8.329 514 H VAL 70 H VAL 70 -4.370 -5.097 -7.009 515 HA VAL 70 HA VAL 70 -2.812 -6.374 -8.982 516 HB VAL 70 HB VAL 70 -0.885 -6.701 -7.191 517 1HG1 VAL 70 1HG1 VAL 70 -1.087 -5.513 -9.630 518 2HG1 VAL 70 2HG1 VAL 70 -0.561 -4.135 -8.634 519 3HG1 VAL 70 3HG1 VAL 70 0.420 -5.620 -8.689 520 1HG2 VAL 70 1HG2 VAL 70 -2.345 -4.799 -5.860 521 2HG2 VAL 70 2HG2 VAL 70 -0.611 -5.114 -5.615 522 3HG2 VAL 70 3HG2 VAL 70 -1.132 -3.804 -6.701 523 H THR 71 H THR 71 -2.850 -8.618 -8.667 524 HA THR 71 HA THR 71 -4.431 -9.450 -6.338 525 HB THR 71 HB THR 71 -3.888 -10.719 -9.073 526 HG1 THR 71 HG1 THR 71 -5.493 -9.183 -9.352 527 1HG2 THR 71 1HG2 THR 71 -4.699 -12.013 -6.679 528 2HG2 THR 71 2HG2 THR 71 -6.210 -11.678 -7.557 529 3HG2 THR 71 3HG2 THR 71 -4.918 -12.624 -8.336 530 H LEU 72 H LEU 72 -3.806 -11.148 -4.986 531 HA LEU 72 HA LEU 72 -0.982 -11.901 -5.295 532 1HB LEU 72 1HB LEU 72 -2.531 -11.190 -2.806 533 2HB LEU 72 2HB LEU 72 -0.994 -12.032 -2.771 534 HG LEU 72 HG LEU 72 -1.435 -9.284 -3.972 535 1HD1 LEU 72 1HD1 LEU 72 -1.710 -9.520 -1.442 536 2HD1 LEU 72 2HD1 LEU 72 0.031 -9.888 -1.405 537 3HD1 LEU 72 3HD1 LEU 72 -0.535 -8.320 -2.031 538 1HD2 LEU 72 1HD2 LEU 72 0.685 -11.160 -4.300 539 2HD2 LEU 72 2HD2 LEU 72 0.558 -9.496 -4.917 540 3HD2 LEU 72 3HD2 LEU 72 1.290 -9.801 -3.324 541 H GLY 73 H GLY 73 -0.555 -13.980 -3.840 542 1HA GLY 73 1HA GLY 73 -2.844 -15.792 -3.853 543 2HA GLY 73 2HA GLY 73 -1.525 -16.175 -4.941 544 H THR 74 H THR 74 0.726 -15.315 -3.426 545 HA THR 74 HA THR 74 1.103 -17.540 -1.761 546 HB THR 74 HB THR 74 2.591 -14.904 -2.192 547 HG1 THR 74 HG1 THR 74 3.026 -16.196 -3.946 548 1HG2 THR 74 1HG2 THR 74 3.002 -16.449 0.046 549 2HG2 THR 74 2HG2 THR 74 4.001 -17.327 -1.138 550 3HG2 THR 74 3HG2 THR 74 4.315 -15.606 -0.810 551 HA PRO 75 HA PRO 75 -0.761 -16.135 1.870 552 1HB PRO 75 1HB PRO 75 -0.099 -18.242 3.479 553 2HB PRO 75 2HB PRO 75 -1.479 -18.258 2.399 554 1HG PRO 75 1HG PRO 75 1.126 -19.623 2.097 555 2HG PRO 75 2HG PRO 75 -0.388 -19.951 1.277 556 1HD PRO 75 1HD PRO 75 1.889 -18.582 0.195 557 2HD PRO 75 2HD PRO 75 0.334 -18.810 -0.582 558 H GLY 76 H GLY 76 -0.339 -14.986 3.743 559 1HA GLY 76 1HA GLY 76 1.609 -14.991 5.455 560 2HA GLY 76 2HA GLY 76 2.539 -14.477 4.061 561 H THR 77 H THR 77 2.674 -12.643 5.924 562 HA THR 77 HA THR 77 0.506 -10.720 5.401 563 HB THR 77 HB THR 77 1.139 -11.636 7.803 564 HG1 THR 77 HG1 THR 77 1.090 -8.815 6.987 565 1HG2 THR 77 1HG2 THR 77 3.242 -9.454 7.344 566 2HG2 THR 77 2HG2 THR 77 2.838 -10.191 8.913 567 3HG2 THR 77 3HG2 THR 77 3.601 -11.172 7.640 568 H TYR 78 H TYR 78 0.900 -9.056 4.093 569 HA TYR 78 HA TYR 78 3.693 -8.543 3.407 570 1HB TYR 78 1HB TYR 78 0.962 -7.641 2.296 571 2HB TYR 78 2HB TYR 78 2.496 -7.252 1.542 572 HD1 TYR 78 HD1 TYR 78 0.409 -10.183 2.580 573 HD2 TYR 78 HD2 TYR 78 3.384 -8.670 -0.097 574 HE1 TYR 78 HE1 TYR 78 0.297 -12.333 1.228 575 HE2 TYR 78 HE2 TYR 78 3.261 -10.825 -1.439 576 HH TYR 78 HH TYR 78 2.464 -12.841 -1.534 577 H SER 79 H SER 79 4.749 -6.672 3.941 578 HA SER 79 HA SER 79 3.106 -4.681 5.298 579 1HB SER 79 1HB SER 79 6.093 -4.964 5.718 580 2HB SER 79 2HB SER 79 4.908 -4.219 6.774 581 HG SER 79 HG SER 79 4.562 -6.107 7.716 582 H PHE 80 H PHE 80 3.466 -2.446 4.786 583 HA PHE 80 HA PHE 80 5.453 -1.891 2.737 584 1HB PHE 80 1HB PHE 80 3.509 -0.575 1.567 585 2HB PHE 80 2HB PHE 80 3.487 -2.318 1.390 586 HD1 PHE 80 HD1 PHE 80 1.862 -3.674 2.649 587 HD2 PHE 80 HD2 PHE 80 1.814 0.564 2.839 588 HE1 PHE 80 HE1 PHE 80 -0.461 -3.743 3.601 589 HE2 PHE 80 HE2 PHE 80 -0.507 0.497 3.791 590 HZ PHE 80 HZ PHE 80 -1.618 -1.657 4.160 591 H TYR 81 H TYR 81 4.995 0.708 2.166 592 HA TYR 81 HA TYR 81 4.120 2.279 4.328 593 1HB TYR 81 1HB TYR 81 6.369 2.953 5.152 594 2HB TYR 81 2HB TYR 81 6.248 1.209 5.267 595 HD1 TYR 81 HD1 TYR 81 7.535 3.931 3.053 596 HD2 TYR 81 HD2 TYR 81 7.852 -0.168 4.234 597 HE1 TYR 81 HE1 TYR 81 9.649 3.686 1.661 598 HE2 TYR 81 HE2 TYR 81 9.964 -0.400 2.838 599 HH TYR 81 HH TYR 81 10.778 1.214 0.526 600 H CYS 82 H CYS 82 4.344 4.573 3.887 601 HA CYS 82 HA CYS 82 4.597 5.044 1.065 602 1HB CYS 82 1HB CYS 82 2.959 6.059 2.990 603 2HB CYS 82 2HB CYS 82 4.160 7.331 2.883 604 H THR 83 H THR 83 6.226 6.341 0.085 605 HA THR 83 HA THR 83 8.685 6.495 1.568 606 HB THR 83 HB THR 83 8.252 7.662 -1.192 607 HG1 THR 83 HG1 THR 83 7.167 5.725 -1.505 608 1HG2 THR 83 1HG2 THR 83 10.311 5.716 -0.022 609 2HG2 THR 83 2HG2 THR 83 10.362 6.445 -1.645 610 3HG2 THR 83 3HG2 THR 83 10.569 7.468 -0.204 611 HA PRO 84 HA PRO 84 7.703 11.084 1.110 612 1HB PRO 84 1HB PRO 84 5.166 11.867 0.467 613 2HB PRO 84 2HB PRO 84 6.454 11.728 -0.713 614 1HG PRO 84 1HG PRO 84 4.158 9.924 -0.254 615 2HG PRO 84 2HG PRO 84 5.194 10.045 -1.662 616 1HD PRO 84 1HD PRO 84 5.283 8.018 0.364 617 2HD PRO 84 2HD PRO 84 6.391 8.205 -0.980 618 H HIS 85 H HIS 85 5.016 9.175 2.287 619 HA HIS 85 HA HIS 85 5.000 10.912 4.639 620 1HB HIS 85 1HB HIS 85 2.890 8.909 3.804 621 2HB HIS 85 2HB HIS 85 2.766 10.121 5.062 622 HD2 HIS 85 HD2 HIS 85 2.608 12.856 4.052 623 HE1 HIS 85 HE1 HIS 85 1.392 11.626 0.164 624 HE2 HIS 85 HE2 HIS 85 1.576 13.588 1.841 625 H ARG 86 H ARG 86 7.203 9.250 4.456 626 HA ARG 86 HA ARG 86 6.622 6.772 5.698 627 1HB ARG 86 1HB ARG 86 9.063 6.453 5.693 628 2HB ARG 86 2HB ARG 86 8.567 7.111 4.146 629 1HG ARG 86 1HG ARG 86 9.086 9.451 5.172 630 2HG ARG 86 2HG ARG 86 9.903 8.579 6.453 631 1HD ARG 86 1HD ARG 86 11.448 7.543 4.859 632 2HD ARG 86 2HD ARG 86 10.545 8.169 3.495 633 HE ARG 86 HE ARG 86 11.421 10.300 5.276 634 1HH1 ARG 86 1HH1 ARG 86 12.460 8.188 2.661 635 2HH1 ARG 86 2HH1 ARG 86 13.701 9.265 2.112 636 1HH2 ARG 86 1HH2 ARG 86 13.057 11.722 4.553 637 2HH2 ARG 86 2HH2 ARG 86 14.043 11.289 3.196 638 H GLY 87 H GLY 87 7.753 10.032 6.670 639 1HA GLY 87 1HA GLY 87 8.221 9.166 9.419 640 2HA GLY 87 2HA GLY 87 8.553 10.740 8.722 641 H ALA 88 H ALA 88 5.759 10.693 7.384 642 HA ALA 88 HA ALA 88 4.440 12.095 9.452 643 1HB ALA 88 1HB ALA 88 4.334 12.217 6.798 644 2HB ALA 88 2HB ALA 88 3.010 11.049 7.022 645 3HB ALA 88 3HB ALA 88 2.923 12.652 7.791 646 H GLY 89 H GLY 89 4.874 8.760 8.839 647 1HA GLY 89 1HA GLY 89 4.095 7.023 10.096 648 2HA GLY 89 2HA GLY 89 2.931 8.081 10.868 649 H MET 90 H MET 90 3.663 6.544 7.661 650 HA MET 90 HA MET 90 0.808 6.039 7.445 651 1HB MET 90 1HB MET 90 1.444 8.024 6.017 652 2HB MET 90 2HB MET 90 2.659 7.051 5.213 653 1HG MET 90 1HG MET 90 1.076 5.787 4.029 654 2HG MET 90 2HG MET 90 -0.165 5.991 5.250 655 1HE MET 90 1HE MET 90 -1.447 6.095 3.082 656 2HE MET 90 2HE MET 90 -1.883 7.635 2.304 657 3HE MET 90 3HE MET 90 -0.452 6.735 1.751 658 H VAL 91 H VAL 91 1.281 3.850 8.128 659 HA VAL 91 HA VAL 91 2.498 2.287 5.970 660 HB VAL 91 HB VAL 91 3.370 0.796 7.865 661 1HG1 VAL 91 1HG1 VAL 91 4.578 2.620 6.313 662 2HG1 VAL 91 2HG1 VAL 91 4.892 3.358 7.901 663 3HG1 VAL 91 3HG1 VAL 91 5.442 1.699 7.567 664 1HG2 VAL 91 1HG2 VAL 91 2.067 2.670 9.465 665 2HG2 VAL 91 2HG2 VAL 91 3.232 1.438 10.005 666 3HG2 VAL 91 3HG2 VAL 91 3.791 3.085 9.625 667 H GLY 92 H GLY 92 1.703 0.036 5.896 668 1HA GLY 92 1HA GLY 92 -0.715 -0.479 7.467 669 2HA GLY 92 2HA GLY 92 -0.875 -0.383 5.723 670 H THR 93 H THR 93 -1.625 -2.734 6.240 671 HA THR 93 HA THR 93 0.590 -4.464 5.572 672 HB THR 93 HB THR 93 -1.073 -5.339 7.935 673 HG1 THR 93 HG1 THR 93 1.318 -3.648 8.008 674 1HG2 THR 93 1HG2 THR 93 1.642 -5.853 6.750 675 2HG2 THR 93 2HG2 THR 93 1.534 -5.873 8.526 676 3HG2 THR 93 3HG2 THR 93 0.534 -6.984 7.561 677 H ILE 94 H ILE 94 -0.117 -6.585 4.815 678 HA ILE 94 HA ILE 94 -2.980 -6.723 4.273 679 HB ILE 94 HB ILE 94 -0.791 -6.697 2.205 680 1HG1 ILE 94 1HG1 ILE 94 -3.373 -5.212 1.968 681 2HG1 ILE 94 2HG1 ILE 94 -2.193 -4.615 3.118 682 1HG2 ILE 94 1HG2 ILE 94 -2.292 -8.670 1.894 683 2HG2 ILE 94 2HG2 ILE 94 -3.662 -7.543 1.750 684 3HG2 ILE 94 3HG2 ILE 94 -2.338 -7.492 0.561 685 1HD1 ILE 94 1HD1 ILE 94 -0.539 -5.057 0.999 686 2HD1 ILE 94 2HD1 ILE 94 -2.056 -4.718 0.133 687 3HD1 ILE 94 3HD1 ILE 94 -1.387 -3.515 1.262 688 H THR 95 H THR 95 -3.790 -8.790 4.407 689 HA THR 95 HA THR 95 -1.775 -10.909 4.780 690 HB THR 95 HB THR 95 -4.554 -10.820 6.035 691 HG1 THR 95 HG1 THR 95 -1.957 -9.919 7.063 692 1HG2 THR 95 1HG2 THR 95 -2.867 -12.895 6.044 693 2HG2 THR 95 2HG2 THR 95 -2.010 -11.921 7.263 694 3HG2 THR 95 3HG2 THR 95 -3.696 -12.419 7.546 695 H VAL 96 H VAL 96 -2.033 -12.858 3.739 696 HA VAL 96 HA VAL 96 -4.353 -12.990 1.940 697 HB VAL 96 HB VAL 96 -1.427 -13.351 1.404 698 1HG1 VAL 96 1HG1 VAL 96 -3.600 -15.064 0.387 699 2HG1 VAL 96 2HG1 VAL 96 -2.588 -14.331 -0.881 700 3HG1 VAL 96 3HG1 VAL 96 -1.839 -15.322 0.394 701 1HG2 VAL 96 1HG2 VAL 96 -2.562 -11.215 0.858 702 2HG2 VAL 96 2HG2 VAL 96 -1.923 -12.041 -0.583 703 3HG2 VAL 96 3HG2 VAL 96 -3.665 -12.100 -0.223 704 H GLU 97 H GLU 97 -5.278 -14.198 3.824 705 HA GLU 97 HA GLU 97 -4.009 -16.667 4.463 706 1HB GLU 97 1HB GLU 97 -5.749 -15.007 5.797 707 2HB GLU 97 2HB GLU 97 -6.855 -16.248 5.242 708 1HG GLU 97 1HG GLU 97 -4.403 -17.466 6.271 709 2HG GLU 97 2HG GLU 97 -5.094 -16.389 7.468 Start of MODEL 5 1 H ALA 1 H ALA 1 -12.695 -11.786 -0.789 2 HA ALA 1 HA ALA 1 -13.434 -10.694 -3.281 3 1HB ALA 1 1HB ALA 1 -14.120 -10.444 -0.463 4 2HB ALA 1 2HB ALA 1 -14.052 -8.847 -1.246 5 3HB ALA 1 3HB ALA 1 -15.115 -10.116 -1.902 6 H SER 2 H SER 2 -12.557 -9.058 -4.479 7 HA SER 2 HA SER 2 -9.987 -8.233 -3.956 8 1HB SER 2 1HB SER 2 -10.283 -6.706 -5.835 9 2HB SER 2 2HB SER 2 -11.097 -8.215 -6.195 10 HG SER 2 HG SER 2 -12.168 -5.807 -6.309 11 H VAL 3 H VAL 3 -9.136 -6.654 -2.635 12 HA VAL 3 HA VAL 3 -11.055 -4.739 -1.503 13 HB VAL 3 HB VAL 3 -9.527 -4.644 0.419 14 1HG1 VAL 3 1HG1 VAL 3 -11.459 -6.162 0.449 15 2HG1 VAL 3 2HG1 VAL 3 -10.460 -7.453 -0.262 16 3HG1 VAL 3 3HG1 VAL 3 -10.091 -6.838 1.366 17 1HG2 VAL 3 1HG2 VAL 3 -8.030 -6.844 -1.041 18 2HG2 VAL 3 2HG2 VAL 3 -7.423 -5.222 -0.629 19 3HG2 VAL 3 3HG2 VAL 3 -7.772 -6.397 0.662 20 H GLN 4 H GLN 4 -9.931 -2.607 -0.814 21 HA GLN 4 HA GLN 4 -7.855 -1.967 -2.749 22 1HB GLN 4 1HB GLN 4 -10.066 0.006 -2.112 23 2HB GLN 4 2HB GLN 4 -8.950 0.019 -3.463 24 1HG GLN 4 1HG GLN 4 -10.150 -2.390 -3.915 25 2HG GLN 4 2HG GLN 4 -11.463 -1.575 -3.088 26 1HE2 GLN 4 2HE2 GLN 4 -11.749 -2.337 -5.667 27 2HE2 GLN 4 1HE2 GLN 4 -11.795 -0.971 -6.733 28 H ILE 5 H ILE 5 -6.373 -0.285 -2.076 29 HA ILE 5 HA ILE 5 -6.588 0.312 0.793 30 HB ILE 5 HB ILE 5 -4.245 -0.421 -0.933 31 1HG1 ILE 5 1HG1 ILE 5 -5.312 -2.268 0.161 32 2HG1 ILE 5 2HG1 ILE 5 -3.785 -1.957 0.962 33 1HG2 ILE 5 1HG2 ILE 5 -4.216 1.194 1.617 34 2HG2 ILE 5 2HG2 ILE 5 -2.830 0.208 1.093 35 3HG2 ILE 5 3HG2 ILE 5 -3.414 1.539 0.066 36 1HD1 ILE 5 1HD1 ILE 5 -5.558 -0.325 2.377 37 2HD1 ILE 5 2HD1 ILE 5 -6.524 -1.779 2.029 38 3HD1 ILE 5 3HD1 ILE 5 -4.978 -1.925 2.897 39 H LYS 6 H LYS 6 -7.318 2.364 1.008 40 HA LYS 6 HA LYS 6 -6.664 4.299 -1.035 41 1HB LYS 6 1HB LYS 6 -8.673 3.986 1.080 42 2HB LYS 6 2HB LYS 6 -8.040 5.616 0.974 43 1HG LYS 6 1HG LYS 6 -8.524 5.659 -1.473 44 2HG LYS 6 2HG LYS 6 -9.125 4.015 -1.393 45 1HD LYS 6 1HD LYS 6 -10.772 4.925 0.437 46 2HD LYS 6 2HD LYS 6 -10.335 6.515 -0.158 47 1HE LYS 6 1HE LYS 6 -12.208 6.020 -1.487 48 2HE LYS 6 2HE LYS 6 -10.899 5.520 -2.538 49 1HZ LYS 6 1HZ LYS 6 -12.372 3.722 -0.740 50 2HZ LYS 6 2HZ LYS 6 -12.623 3.852 -2.348 51 3HZ LYS 6 3HZ LYS 6 -11.201 3.277 -1.787 52 H MET 7 H MET 7 -5.252 6.024 -0.833 53 HA MET 7 HA MET 7 -3.524 5.836 1.493 54 1HB MET 7 1HB MET 7 -3.257 6.740 -1.374 55 2HB MET 7 2HB MET 7 -2.264 7.587 -0.205 56 1HG MET 7 1HG MET 7 -0.894 5.771 -0.906 57 2HG MET 7 2HG MET 7 -1.527 5.242 0.640 58 1HE MET 7 1HE MET 7 -2.994 5.528 -2.994 59 2HE MET 7 2HE MET 7 -1.427 4.702 -3.177 60 3HE MET 7 3HE MET 7 -2.940 3.825 -3.508 61 H GLY 8 H GLY 8 -4.038 7.200 3.152 62 1HA GLY 8 1HA GLY 8 -4.008 9.396 3.994 63 2HA GLY 8 2HA GLY 8 -4.631 9.999 2.471 64 H THR 9 H THR 9 -5.810 10.701 4.955 65 HA THR 9 HA THR 9 -8.393 9.304 4.718 66 HB THR 9 HB THR 9 -8.496 9.907 7.279 67 HG1 THR 9 HG1 THR 9 -5.627 9.814 6.680 68 1HG2 THR 9 1HG2 THR 9 -7.276 7.649 5.886 69 2HG2 THR 9 2HG2 THR 9 -6.388 7.983 7.393 70 3HG2 THR 9 3HG2 THR 9 -8.138 7.656 7.444 71 H ASP 10 H ASP 10 -10.285 10.604 5.267 72 HA ASP 10 HA ASP 10 -10.201 13.023 3.962 73 1HB ASP 10 1HB ASP 10 -12.219 11.510 4.499 74 2HB ASP 10 2HB ASP 10 -12.223 12.219 6.101 75 H LYS 11 H LYS 11 -9.185 12.113 7.141 76 HA LYS 11 HA LYS 11 -9.650 14.741 8.285 77 1HB LYS 11 1HB LYS 11 -9.710 12.220 9.352 78 2HB LYS 11 2HB LYS 11 -8.100 12.740 9.808 79 1HG LYS 11 1HG LYS 11 -9.819 14.981 10.266 80 2HG LYS 11 2HG LYS 11 -10.667 13.582 10.894 81 1HD LYS 11 1HD LYS 11 -8.038 13.167 11.774 82 2HD LYS 11 2HD LYS 11 -8.223 14.904 11.905 83 1HE LYS 11 1HE LYS 11 -9.256 14.492 13.895 84 2HE LYS 11 2HE LYS 11 -10.642 13.999 12.941 85 1HZ LYS 11 1HZ LYS 11 -8.914 11.859 13.003 86 2HZ LYS 11 2HZ LYS 11 -8.988 12.418 14.535 87 3HZ LYS 11 3HZ LYS 11 -10.357 11.991 13.755 88 H TYR 12 H TYR 12 -8.048 14.817 5.968 89 HA TYR 12 HA TYR 12 -5.991 15.278 5.197 90 1HB TYR 12 1HB TYR 12 -6.867 16.973 7.452 91 2HB TYR 12 2HB TYR 12 -5.116 16.934 7.395 92 HD1 TYR 12 HD1 TYR 12 -4.532 16.860 4.518 93 HD2 TYR 12 HD2 TYR 12 -7.525 19.057 6.644 94 HE1 TYR 12 HE1 TYR 12 -4.558 18.617 2.680 95 HE2 TYR 12 HE2 TYR 12 -7.541 20.806 4.799 96 HH TYR 12 HH TYR 12 -6.925 21.214 2.704 97 H ALA 13 H ALA 13 -6.061 12.854 6.935 98 HA ALA 13 HA ALA 13 -3.426 13.046 8.199 99 1HB ALA 13 1HB ALA 13 -5.896 11.887 8.970 100 2HB ALA 13 2HB ALA 13 -4.805 10.530 8.599 101 3HB ALA 13 3HB ALA 13 -4.327 11.754 9.801 102 HA PRO 14 HA PRO 14 -2.154 10.934 4.547 103 1HB PRO 14 1HB PRO 14 0.518 11.441 4.809 104 2HB PRO 14 2HB PRO 14 -0.589 12.529 3.995 105 1HG PRO 14 1HG PRO 14 0.639 12.792 6.672 106 2HG PRO 14 2HG PRO 14 -0.109 14.029 5.681 107 1HD PRO 14 1HD PRO 14 -1.256 12.741 7.973 108 2HD PRO 14 2HD PRO 14 -2.045 13.893 6.913 109 H LEU 15 H LEU 15 -3.010 8.997 5.615 110 HA LEU 15 HA LEU 15 -0.716 7.323 6.261 111 1HB LEU 15 1HB LEU 15 -1.777 6.408 8.227 112 2HB LEU 15 2HB LEU 15 -1.474 8.125 8.409 113 HG LEU 15 HG LEU 15 -4.073 8.059 7.444 114 1HD1 LEU 15 1HD1 LEU 15 -3.765 5.485 8.007 115 2HD1 LEU 15 2HD1 LEU 15 -4.139 6.051 9.652 116 3HD1 LEU 15 3HD1 LEU 15 -5.290 6.345 8.326 117 1HD2 LEU 15 1HD2 LEU 15 -3.109 9.502 9.220 118 2HD2 LEU 15 2HD2 LEU 15 -4.701 8.826 9.641 119 3HD2 LEU 15 3HD2 LEU 15 -3.223 8.133 10.352 120 H TYR 16 H TYR 16 -1.307 4.963 6.152 121 HA TYR 16 HA TYR 16 -2.939 4.554 3.839 122 1HB TYR 16 1HB TYR 16 -1.134 3.056 5.761 123 2HB TYR 16 2HB TYR 16 -2.277 2.072 4.869 124 HD1 TYR 16 HD1 TYR 16 -2.354 2.797 2.211 125 HD2 TYR 16 HD2 TYR 16 0.988 3.190 4.854 126 HE1 TYR 16 HE1 TYR 16 -0.769 2.773 0.223 127 HE2 TYR 16 HE2 TYR 16 2.561 3.163 2.856 128 HH TYR 16 HH TYR 16 2.562 3.577 0.563 129 H GLU 17 H GLU 17 -4.943 3.544 3.669 130 HA GLU 17 HA GLU 17 -6.111 2.563 6.123 131 1HB GLU 17 1HB GLU 17 -6.695 5.070 5.701 132 2HB GLU 17 2HB GLU 17 -7.688 4.487 4.382 133 1HG GLU 17 1HG GLU 17 -8.906 2.981 5.991 134 2HG GLU 17 2HG GLU 17 -7.938 3.624 7.302 135 HA PRO 18 HA PRO 18 -7.633 1.611 6.695 136 1HB PRO 18 1HB PRO 18 -8.071 -1.007 7.342 137 2HB PRO 18 2HB PRO 18 -9.360 0.107 6.933 138 1HG PRO 18 1HG PRO 18 -8.199 -2.063 5.297 139 2HG PRO 18 2HG PRO 18 -9.730 -1.235 5.095 140 1HD PRO 18 1HD PRO 18 -7.339 -0.823 3.563 141 2HD PRO 18 2HD PRO 18 -8.834 0.085 3.439 142 H LYS 19 H LYS 19 -6.213 1.596 8.392 143 HA LYS 19 HA LYS 19 -3.603 1.319 7.905 144 1HB LYS 19 1HB LYS 19 -5.304 1.283 10.294 145 2HB LYS 19 2HB LYS 19 -3.785 0.439 10.526 146 1HG LYS 19 1HG LYS 19 -2.505 2.397 9.803 147 2HG LYS 19 2HG LYS 19 -3.964 3.233 9.308 148 1HD LYS 19 1HD LYS 19 -4.272 4.037 11.404 149 2HD LYS 19 2HD LYS 19 -4.285 2.415 12.066 150 1HE LYS 19 1HE LYS 19 -2.132 2.576 12.819 151 2HE LYS 19 2HE LYS 19 -1.564 3.292 11.324 152 1HZ LYS 19 1HZ LYS 19 -3.201 5.122 12.641 153 2HZ LYS 19 2HZ LYS 19 -2.088 4.573 13.703 154 3HZ LYS 19 3HZ LYS 19 -1.610 5.248 12.295 155 H ALA 20 H ALA 20 -5.918 -1.322 8.594 156 HA ALA 20 HA ALA 20 -3.769 -3.195 7.888 157 1HB ALA 20 1HB ALA 20 -5.541 -3.088 10.269 158 2HB ALA 20 2HB ALA 20 -5.404 -4.684 9.493 159 3HB ALA 20 3HB ALA 20 -3.942 -3.844 10.064 160 H LEU 21 H LEU 21 -4.467 -5.074 6.686 161 HA LEU 21 HA LEU 21 -7.234 -5.105 5.835 162 1HB LEU 21 1HB LEU 21 -6.568 -3.653 4.183 163 2HB LEU 21 2HB LEU 21 -4.948 -4.315 4.087 164 HG LEU 21 HG LEU 21 -5.935 -6.381 3.029 165 1HD1 LEU 21 1HD1 LEU 21 -8.331 -5.466 3.926 166 2HD1 LEU 21 2HD1 LEU 21 -8.379 -4.931 2.228 167 3HD1 LEU 21 3HD1 LEU 21 -8.126 -6.652 2.613 168 1HD2 LEU 21 1HD2 LEU 21 -5.160 -3.986 1.918 169 2HD2 LEU 21 2HD2 LEU 21 -5.446 -5.504 1.034 170 3HD2 LEU 21 3HD2 LEU 21 -6.736 -4.285 1.146 171 H SER 22 H SER 22 -7.899 -7.163 5.083 172 HA SER 22 HA SER 22 -5.804 -9.182 5.204 173 1HB SER 22 1HB SER 22 -7.246 -9.059 7.322 174 2HB SER 22 2HB SER 22 -8.606 -9.563 6.337 175 HG SER 22 HG SER 22 -7.883 -11.586 6.329 176 H ILE 23 H ILE 23 -6.111 -10.990 3.766 177 HA ILE 23 HA ILE 23 -8.519 -11.127 2.209 178 HB ILE 23 HB ILE 23 -7.427 -10.809 0.053 179 1HG1 ILE 23 1HG1 ILE 23 -5.040 -9.615 1.453 180 2HG1 ILE 23 2HG1 ILE 23 -5.090 -11.322 1.061 181 1HG2 ILE 23 1HG2 ILE 23 -8.635 -8.961 1.233 182 2HG2 ILE 23 2HG2 ILE 23 -7.056 -8.364 1.797 183 3HG2 ILE 23 3HG2 ILE 23 -7.415 -8.419 0.056 184 1HD1 ILE 23 1HD1 ILE 23 -5.836 -9.375 -1.112 185 2HD1 ILE 23 2HD1 ILE 23 -4.118 -9.526 -0.671 186 3HD1 ILE 23 3HD1 ILE 23 -5.022 -10.953 -1.237 187 H SER 24 H SER 24 -7.798 -12.838 0.224 188 HA SER 24 HA SER 24 -6.362 -14.926 1.669 189 1HB SER 24 1HB SER 24 -8.698 -15.388 -0.231 190 2HB SER 24 2HB SER 24 -7.906 -16.585 0.774 191 HG SER 24 HG SER 24 -9.991 -15.695 1.607 192 H ALA 25 H ALA 25 -5.507 -16.689 0.093 193 HA ALA 25 HA ALA 25 -3.921 -15.440 -1.849 194 1HB ALA 25 1HB ALA 25 -3.501 -17.590 -0.516 195 2HB ALA 25 2HB ALA 25 -4.580 -18.399 -1.678 196 3HB ALA 25 3HB ALA 25 -3.076 -17.636 -2.245 197 H GLY 26 H GLY 26 -4.793 -14.457 -3.619 198 1HA GLY 26 1HA GLY 26 -5.511 -15.157 -5.886 199 2HA GLY 26 2HA GLY 26 -6.850 -15.978 -5.110 200 H ASP 27 H ASP 27 -6.494 -13.422 -3.096 201 HA ASP 27 HA ASP 27 -8.657 -12.054 -4.318 202 1HB ASP 27 1HB ASP 27 -7.034 -11.703 -1.777 203 2HB ASP 27 2HB ASP 27 -8.166 -10.459 -2.268 204 H THR 28 H THR 28 -8.432 -9.424 -4.170 205 HA THR 28 HA THR 28 -5.812 -8.702 -5.308 206 HB THR 28 HB THR 28 -8.461 -7.466 -6.161 207 HG1 THR 28 HG1 THR 28 -8.684 -9.255 -7.536 208 1HG2 THR 28 1HG2 THR 28 -5.668 -7.800 -7.340 209 2HG2 THR 28 2HG2 THR 28 -7.074 -7.478 -8.383 210 3HG2 THR 28 3HG2 THR 28 -6.603 -6.299 -7.134 211 H VAL 29 H VAL 29 -5.053 -6.565 -4.900 212 HA VAL 29 HA VAL 29 -6.505 -5.214 -2.738 213 HB VAL 29 HB VAL 29 -3.556 -5.860 -2.887 214 1HG1 VAL 29 1HG1 VAL 29 -4.530 -3.499 -1.954 215 2HG1 VAL 29 2HG1 VAL 29 -4.625 -4.499 -0.484 216 3HG1 VAL 29 3HG1 VAL 29 -3.069 -4.298 -1.325 217 1HG2 VAL 29 1HG2 VAL 29 -5.049 -7.677 -2.071 218 2HG2 VAL 29 2HG2 VAL 29 -3.918 -7.089 -0.829 219 3HG2 VAL 29 3HG2 VAL 29 -5.626 -6.588 -0.788 220 H GLU 30 H GLU 30 -7.357 -3.637 -4.133 221 HA GLU 30 HA GLU 30 -5.717 -2.388 -6.049 222 1HB GLU 30 1HB GLU 30 -8.327 -2.636 -5.942 223 2HB GLU 30 2HB GLU 30 -8.277 -1.198 -4.941 224 1HG GLU 30 1HG GLU 30 -6.591 -0.871 -7.319 225 2HG GLU 30 2HG GLU 30 -8.227 -1.304 -7.773 226 H PHE 31 H PHE 31 -5.527 0.155 -6.040 227 HA PHE 31 HA PHE 31 -5.127 1.188 -3.358 228 1HB PHE 31 1HB PHE 31 -3.035 0.816 -5.574 229 2HB PHE 31 2HB PHE 31 -2.798 1.995 -4.298 230 HD1 PHE 31 HD1 PHE 31 -2.708 1.174 -1.900 231 HD2 PHE 31 HD2 PHE 31 -2.530 -1.458 -5.224 232 HE1 PHE 31 HE1 PHE 31 -1.723 -0.609 -0.434 233 HE2 PHE 31 HE2 PHE 31 -1.545 -3.241 -3.758 234 HZ PHE 31 HZ PHE 31 -1.153 -2.796 -1.382 235 H VAL 32 H VAL 32 -5.872 3.257 -3.257 236 HA VAL 32 HA VAL 32 -5.725 4.861 -5.695 237 HB VAL 32 HB VAL 32 -7.957 3.754 -5.516 238 1HG1 VAL 32 1HG1 VAL 32 -7.765 4.391 -2.820 239 2HG1 VAL 32 2HG1 VAL 32 -8.959 5.556 -3.441 240 3HG1 VAL 32 3HG1 VAL 32 -9.219 3.809 -3.666 241 1HG2 VAL 32 1HG2 VAL 32 -7.340 6.551 -5.916 242 2HG2 VAL 32 2HG2 VAL 32 -8.512 5.516 -6.767 243 3HG2 VAL 32 3HG2 VAL 32 -8.992 6.367 -5.279 244 H MET 33 H MET 33 -5.591 7.142 -5.300 245 HA MET 33 HA MET 33 -4.381 7.688 -2.789 246 1HB MET 33 1HB MET 33 -4.753 9.000 -5.446 247 2HB MET 33 2HB MET 33 -4.722 10.135 -4.111 248 1HG MET 33 1HG MET 33 -2.570 8.919 -3.317 249 2HG MET 33 2HG MET 33 -2.566 8.118 -4.875 250 1HE MET 33 1HE MET 33 -3.374 11.324 -3.249 251 2HE MET 33 2HE MET 33 -2.233 12.520 -3.906 252 3HE MET 33 3HE MET 33 -3.754 12.177 -4.764 253 H ASN 34 H ASN 34 -5.516 8.171 -0.962 254 HA ASN 34 HA ASN 34 -8.236 8.856 -1.127 255 1HB ASN 34 1HB ASN 34 -6.738 7.701 0.801 256 2HB ASN 34 2HB ASN 34 -6.602 9.352 1.375 257 1HD2 ASN 34 2HD2 ASN 34 -8.594 10.580 1.678 258 2HD2 ASN 34 1HD2 ASN 34 -10.024 9.774 2.230 259 H LYS 35 H LYS 35 -5.433 10.585 0.457 260 HA LYS 35 HA LYS 35 -5.799 12.992 -0.892 261 1HB LYS 35 1HB LYS 35 -7.948 13.125 0.246 262 2HB LYS 35 2HB LYS 35 -7.183 12.871 1.802 263 1HG LYS 35 1HG LYS 35 -5.720 15.008 0.759 264 2HG LYS 35 2HG LYS 35 -7.334 15.331 0.159 265 1HD LYS 35 1HD LYS 35 -7.841 14.594 2.795 266 2HD LYS 35 2HD LYS 35 -6.303 15.422 2.942 267 1HE LYS 35 1HE LYS 35 -7.301 17.355 1.607 268 2HE LYS 35 2HE LYS 35 -8.850 16.540 1.679 269 1HZ LYS 35 1HZ LYS 35 -7.675 16.679 4.232 270 2HZ LYS 35 2HZ LYS 35 -7.785 18.172 3.577 271 3HZ LYS 35 3HZ LYS 35 -9.123 17.247 3.733 272 H VAL 36 H VAL 36 -4.165 14.506 -0.315 273 HA VAL 36 HA VAL 36 -2.385 15.285 0.807 274 HB VAL 36 HB VAL 36 -2.392 12.893 2.631 275 1HG1 VAL 36 1HG1 VAL 36 -1.537 15.785 2.991 276 2HG1 VAL 36 2HG1 VAL 36 -1.451 14.517 4.237 277 3HG1 VAL 36 3HG1 VAL 36 -0.463 14.383 2.762 278 1HG2 VAL 36 1HG2 VAL 36 -4.504 14.871 2.353 279 2HG2 VAL 36 2HG2 VAL 36 -4.436 13.412 3.371 280 3HG2 VAL 36 3HG2 VAL 36 -3.755 14.945 3.967 281 H GLY 37 H GLY 37 -1.737 14.562 -1.472 282 1HA GLY 37 1HA GLY 37 -0.023 12.177 -1.444 283 2HA GLY 37 2HA GLY 37 -0.605 13.042 -2.852 284 HA PRO 38 HA PRO 38 0.816 12.418 -3.949 285 1HB PRO 38 1HB PRO 38 3.195 11.514 -4.946 286 2HB PRO 38 2HB PRO 38 2.325 12.874 -5.628 287 1HG PRO 38 1HG PRO 38 4.760 12.884 -3.953 288 2HG PRO 38 2HG PRO 38 4.128 14.156 -4.980 289 1HD PRO 38 1HD PRO 38 3.963 14.019 -2.120 290 2HD PRO 38 2HD PRO 38 3.231 15.229 -3.155 291 H HIS 39 H HIS 39 1.251 9.988 -4.409 292 HA HIS 39 HA HIS 39 2.160 8.831 -1.883 293 1HB HIS 39 1HB HIS 39 -0.398 8.163 -3.362 294 2HB HIS 39 2HB HIS 39 0.277 7.180 -2.079 295 HD2 HIS 39 HD2 HIS 39 -1.700 10.514 -2.531 296 HE1 HIS 39 HE1 HIS 39 -1.198 9.864 1.644 297 HE2 HIS 39 HE2 HIS 39 -2.307 11.314 -0.189 298 H ASN 40 H ASN 40 1.855 6.136 -2.501 299 HA ASN 40 HA ASN 40 2.620 5.491 -5.084 300 1HB ASN 40 1HB ASN 40 5.002 4.976 -4.796 301 2HB ASN 40 2HB ASN 40 4.754 6.661 -4.384 302 1HD2 ASN 40 2HD2 ASN 40 6.819 4.734 -3.573 303 2HD2 ASN 40 1HD2 ASN 40 6.832 4.702 -1.842 304 H VAL 41 H VAL 41 4.252 3.183 -4.519 305 HA VAL 41 HA VAL 41 2.917 1.808 -2.330 306 HB VAL 41 HB VAL 41 2.948 0.716 -5.146 307 1HG1 VAL 41 1HG1 VAL 41 1.880 -0.276 -2.503 308 2HG1 VAL 41 2HG1 VAL 41 1.194 -0.838 -4.047 309 3HG1 VAL 41 3HG1 VAL 41 2.915 -1.113 -3.685 310 1HG2 VAL 41 1HG2 VAL 41 1.446 2.690 -4.941 311 2HG2 VAL 41 2HG2 VAL 41 0.573 1.174 -5.271 312 3HG2 VAL 41 3HG2 VAL 41 0.580 1.858 -3.627 313 H ILE 42 H ILE 42 4.933 1.802 -1.247 314 HA ILE 42 HA ILE 42 6.951 0.133 -2.581 315 HB ILE 42 HB ILE 42 7.279 2.588 -0.872 316 1HG1 ILE 42 1HG1 ILE 42 6.983 2.804 -3.358 317 2HG1 ILE 42 2HG1 ILE 42 8.464 3.488 -2.717 318 1HG2 ILE 42 1HG2 ILE 42 9.025 0.234 -1.060 319 2HG2 ILE 42 2HG2 ILE 42 9.834 1.775 -1.433 320 3HG2 ILE 42 3HG2 ILE 42 9.000 1.562 0.124 321 1HD1 ILE 42 1HD1 ILE 42 9.331 0.950 -3.253 322 2HD1 ILE 42 2HD1 ILE 42 8.077 1.127 -4.502 323 3HD1 ILE 42 3HD1 ILE 42 9.425 2.287 -4.425 324 H PHE 43 H PHE 43 6.430 -1.857 -1.719 325 HA PHE 43 HA PHE 43 5.524 -2.202 0.906 326 1HB PHE 43 1HB PHE 43 6.992 -4.022 -1.097 327 2HB PHE 43 2HB PHE 43 6.193 -4.626 0.339 328 HD1 PHE 43 HD1 PHE 43 3.729 -4.550 0.513 329 HD2 PHE 43 HD2 PHE 43 5.736 -3.391 -3.042 330 HE1 PHE 43 HE1 PHE 43 1.577 -4.743 -0.765 331 HE2 PHE 43 HE2 PHE 43 3.584 -3.585 -4.319 332 HZ PHE 43 HZ PHE 43 1.531 -4.258 -3.166 333 H ASP 44 H ASP 44 6.661 -3.461 2.648 334 HA ASP 44 HA ASP 44 9.280 -2.334 2.966 335 1HB ASP 44 1HB ASP 44 7.249 -2.672 4.715 336 2HB ASP 44 2HB ASP 44 8.042 -4.212 4.975 337 H LYS 45 H LYS 45 7.601 -5.559 2.996 338 HA LYS 45 HA LYS 45 9.389 -6.977 1.578 339 1HB LYS 45 1HB LYS 45 10.571 -6.284 4.127 340 2HB LYS 45 2HB LYS 45 10.397 -8.023 3.996 341 1HG LYS 45 1HG LYS 45 11.523 -7.968 1.761 342 2HG LYS 45 2HG LYS 45 11.697 -6.229 1.891 343 1HD LYS 45 1HD LYS 45 13.740 -6.739 2.797 344 2HD LYS 45 2HD LYS 45 12.824 -6.980 4.272 345 1HE LYS 45 1HE LYS 45 13.304 -9.200 4.286 346 2HE LYS 45 2HE LYS 45 12.684 -9.399 2.660 347 1HZ LYS 45 1HZ LYS 45 14.912 -8.303 2.029 348 2HZ LYS 45 2HZ LYS 45 15.400 -8.802 3.506 349 3HZ LYS 45 3HZ LYS 45 14.875 -9.890 2.406 350 H VAL 46 H VAL 46 8.763 -9.178 1.436 351 HA VAL 46 HA VAL 46 6.624 -9.935 3.296 352 HB VAL 46 HB VAL 46 5.385 -10.883 1.447 353 1HG1 VAL 46 1HG1 VAL 46 6.067 -7.991 1.527 354 2HG1 VAL 46 2HG1 VAL 46 5.187 -8.557 0.088 355 3HG1 VAL 46 3HG1 VAL 46 4.496 -8.810 1.709 356 1HG2 VAL 46 1HG2 VAL 46 7.877 -10.529 0.026 357 2HG2 VAL 46 2HG2 VAL 46 6.432 -11.461 -0.437 358 3HG2 VAL 46 3HG2 VAL 46 6.549 -9.733 -0.852 359 HA PRO 47 HA PRO 47 8.781 -13.667 3.576 360 1HB PRO 47 1HB PRO 47 6.807 -15.472 4.135 361 2HB PRO 47 2HB PRO 47 7.487 -14.392 5.337 362 1HG PRO 47 1HG PRO 47 4.869 -14.233 3.971 363 2HG PRO 47 2HG PRO 47 5.389 -13.440 5.445 364 1HD PRO 47 1HD PRO 47 5.139 -12.244 2.850 365 2HD PRO 47 2HD PRO 47 5.768 -11.484 4.298 366 H ALA 48 H ALA 48 9.294 -15.810 2.711 367 HA ALA 48 HA ALA 48 9.434 -15.846 0.042 368 1HB ALA 48 1HB ALA 48 10.394 -17.469 1.775 369 2HB ALA 48 2HB ALA 48 8.851 -18.349 1.659 370 3HB ALA 48 3HB ALA 48 9.890 -18.181 0.223 371 H GLY 49 H GLY 49 8.150 -16.296 -1.733 372 1HA GLY 49 1HA GLY 49 6.121 -17.705 -2.336 373 2HA GLY 49 2HA GLY 49 5.291 -16.729 -1.140 374 H GLU 50 H GLU 50 6.123 -14.163 -1.485 375 HA GLU 50 HA GLU 50 5.418 -13.683 -4.271 376 1HB GLU 50 1HB GLU 50 4.245 -12.742 -1.869 377 2HB GLU 50 2HB GLU 50 5.106 -11.363 -2.522 378 1HG GLU 50 1HG GLU 50 3.678 -12.830 -4.634 379 2HG GLU 50 2HG GLU 50 2.587 -12.323 -3.359 380 H SER 51 H SER 51 6.111 -11.006 -4.554 381 HA SER 51 HA SER 51 8.941 -10.993 -3.864 382 1HB SER 51 1HB SER 51 7.736 -10.143 -6.535 383 2HB SER 51 2HB SER 51 9.429 -10.017 -6.102 384 HG SER 51 HG SER 51 9.307 -11.934 -7.216 385 H ALA 52 H ALA 52 8.159 -9.603 -2.049 386 HA ALA 52 HA ALA 52 6.701 -7.284 -2.399 387 1HB ALA 52 1HB ALA 52 8.251 -8.603 -0.353 388 2HB ALA 52 2HB ALA 52 8.623 -6.862 -0.342 389 3HB ALA 52 3HB ALA 52 6.940 -7.414 -0.170 390 HA PRO 53 HA PRO 53 10.833 -5.119 -3.176 391 1HB PRO 53 1HB PRO 53 13.116 -6.579 -3.532 392 2HB PRO 53 2HB PRO 53 12.655 -5.881 -1.992 393 1HG PRO 53 1HG PRO 53 12.517 -8.703 -2.862 394 2HG PRO 53 2HG PRO 53 12.473 -8.052 -1.236 395 1HD PRO 53 1HD PRO 53 10.244 -9.029 -2.755 396 2HD PRO 53 2HD PRO 53 10.185 -8.272 -1.175 397 H ALA 54 H ALA 54 8.966 -5.819 -4.957 398 HA ALA 54 HA ALA 54 10.477 -5.557 -7.372 399 1HB ALA 54 1HB ALA 54 10.142 -8.141 -6.607 400 2HB ALA 54 2HB ALA 54 8.618 -7.882 -7.488 401 3HB ALA 54 3HB ALA 54 10.175 -7.620 -8.309 402 H LEU 55 H LEU 55 7.313 -6.267 -5.775 403 HA LEU 55 HA LEU 55 5.783 -5.143 -7.866 404 1HB LEU 55 1HB LEU 55 5.293 -6.057 -5.066 405 2HB LEU 55 2HB LEU 55 4.082 -5.059 -5.846 406 HG LEU 55 HG LEU 55 5.129 -7.528 -7.215 407 1HD1 LEU 55 1HD1 LEU 55 3.404 -7.399 -4.808 408 2HD1 LEU 55 2HD1 LEU 55 2.843 -8.456 -6.127 409 3HD1 LEU 55 3HD1 LEU 55 4.454 -8.704 -5.411 410 1HD2 LEU 55 1HD2 LEU 55 2.889 -5.628 -7.571 411 2HD2 LEU 55 2HD2 LEU 55 3.807 -6.570 -8.769 412 3HD2 LEU 55 3HD2 LEU 55 2.505 -7.345 -7.835 413 H SER 56 H SER 56 7.577 -3.847 -5.120 414 HA SER 56 HA SER 56 6.267 -1.552 -4.610 415 1HB SER 56 1HB SER 56 9.286 -1.592 -4.921 416 2HB SER 56 2HB SER 56 8.330 -0.707 -3.748 417 HG SER 56 HG SER 56 8.883 -2.384 -2.498 418 H ASN 57 H ASN 57 5.467 -0.028 -6.009 419 HA ASN 57 HA ASN 57 7.012 0.447 -8.425 420 1HB ASN 57 1HB ASN 57 4.243 0.033 -7.989 421 2HB ASN 57 2HB ASN 57 4.370 1.757 -8.274 422 1HD2 ASN 57 2HD2 ASN 57 5.973 2.318 -10.105 423 2HD2 ASN 57 1HD2 ASN 57 5.783 1.436 -11.584 424 H THR 58 H THR 58 8.176 2.376 -8.474 425 HA THR 58 HA THR 58 7.590 4.374 -6.433 426 HB THR 58 HB THR 58 9.921 3.477 -6.814 427 HG1 THR 58 HG1 THR 58 9.518 6.233 -7.726 428 1HG2 THR 58 1HG2 THR 58 9.763 3.261 -9.340 429 2HG2 THR 58 2HG2 THR 58 9.702 5.038 -9.441 430 3HG2 THR 58 3HG2 THR 58 11.157 4.232 -8.808 431 H LYS 59 H LYS 59 5.795 3.848 -8.825 432 HA LYS 59 HA LYS 59 6.171 6.254 -10.380 433 1HB LYS 59 1HB LYS 59 5.495 4.143 -11.457 434 2HB LYS 59 2HB LYS 59 4.030 4.108 -10.495 435 1HG LYS 59 1HG LYS 59 3.285 6.253 -11.495 436 2HG LYS 59 2HG LYS 59 4.781 6.377 -12.400 437 1HD LYS 59 1HD LYS 59 3.852 3.821 -13.078 438 2HD LYS 59 2HD LYS 59 2.375 4.758 -12.968 439 1HE LYS 59 1HE LYS 59 3.757 6.546 -14.392 440 2HE LYS 59 2HE LYS 59 4.738 5.156 -14.815 441 1HZ LYS 59 1HZ LYS 59 2.501 4.078 -15.326 442 2HZ LYS 59 2HZ LYS 59 1.907 5.599 -15.357 443 3HZ LYS 59 3HZ LYS 59 3.094 5.165 -16.392 444 H LEU 60 H LEU 60 6.045 7.278 -7.984 445 HA LEU 60 HA LEU 60 3.605 7.530 -6.728 446 1HB LEU 60 1HB LEU 60 4.661 9.835 -6.069 447 2HB LEU 60 2HB LEU 60 5.290 8.320 -5.454 448 HG LEU 60 HG LEU 60 6.543 9.228 -7.969 449 1HD1 LEU 60 1HD1 LEU 60 6.196 11.404 -6.933 450 2HD1 LEU 60 2HD1 LEU 60 6.933 10.822 -5.421 451 3HD1 LEU 60 3HD1 LEU 60 7.919 10.955 -6.897 452 1HD2 LEU 60 1HD2 LEU 60 7.124 7.333 -6.154 453 2HD2 LEU 60 2HD2 LEU 60 8.348 8.116 -7.183 454 3HD2 LEU 60 3HD2 LEU 60 8.106 8.670 -5.509 455 H ALA 61 H ALA 61 1.685 8.321 -7.386 456 HA ALA 61 HA ALA 61 1.615 9.889 -9.812 457 1HB ALA 61 1HB ALA 61 0.066 7.921 -9.140 458 2HB ALA 61 2HB ALA 61 -0.737 9.099 -8.073 459 3HB ALA 61 3HB ALA 61 -0.691 9.376 -9.832 460 H ILE 62 H ILE 62 1.679 12.075 -9.829 461 HA ILE 62 HA ILE 62 1.656 13.517 -7.395 462 HB ILE 62 HB ILE 62 1.496 14.537 -10.232 463 1HG1 ILE 62 1HG1 ILE 62 3.383 13.101 -10.166 464 2HG1 ILE 62 2HG1 ILE 62 3.992 14.737 -10.019 465 1HG2 ILE 62 1HG2 ILE 62 1.029 16.053 -8.151 466 2HG2 ILE 62 2HG2 ILE 62 2.795 15.978 -7.944 467 3HG2 ILE 62 3HG2 ILE 62 2.103 16.618 -9.454 468 1HD1 ILE 62 1HD1 ILE 62 3.577 14.076 -7.363 469 2HD1 ILE 62 2HD1 ILE 62 4.067 12.514 -8.060 470 3HD1 ILE 62 3HD1 ILE 62 5.133 13.931 -8.214 471 H ALA 63 H ALA 63 -0.681 13.092 -10.117 472 HA ALA 63 HA ALA 63 -2.620 14.729 -8.735 473 1HB ALA 63 1HB ALA 63 -2.289 14.759 -11.224 474 2HB ALA 63 2HB ALA 63 -2.873 13.079 -11.282 475 3HB ALA 63 3HB ALA 63 -3.958 14.381 -10.734 476 HA PRO 64 HA PRO 64 -4.614 11.427 -6.780 477 1HB PRO 64 1HB PRO 64 -7.152 12.401 -6.496 478 2HB PRO 64 2HB PRO 64 -5.829 12.852 -5.440 479 1HG PRO 64 1HG PRO 64 -7.090 14.420 -7.605 480 2HG PRO 64 2HG PRO 64 -6.085 14.983 -6.284 481 1HD PRO 64 1HD PRO 64 -5.292 14.642 -9.019 482 2HD PRO 64 2HD PRO 64 -4.259 15.092 -7.678 483 H GLY 65 H GLY 65 -5.329 9.436 -7.273 484 1HA GLY 65 1HA GLY 65 -7.524 9.000 -8.954 485 2HA GLY 65 2HA GLY 65 -6.076 8.930 -9.936 486 H SER 66 H SER 66 -7.621 6.635 -9.661 487 HA SER 66 HA SER 66 -6.680 5.075 -7.497 488 1HB SER 66 1HB SER 66 -8.895 4.703 -8.551 489 2HB SER 66 2HB SER 66 -8.123 4.281 -10.066 490 HG SER 66 HG SER 66 -8.498 2.315 -9.115 491 H PHE 67 H PHE 67 -4.423 4.830 -7.515 492 HA PHE 67 HA PHE 67 -2.697 4.739 -9.521 493 1HB PHE 67 1HB PHE 67 -3.045 3.254 -6.907 494 2HB PHE 67 2HB PHE 67 -1.757 2.676 -7.944 495 HD1 PHE 67 HD1 PHE 67 -0.329 4.779 -8.981 496 HD2 PHE 67 HD2 PHE 67 -2.388 4.724 -5.271 497 HE1 PHE 67 HE1 PHE 67 1.180 6.589 -8.117 498 HE2 PHE 67 HE2 PHE 67 -0.879 6.533 -4.407 499 HZ PHE 67 HZ PHE 67 0.887 7.444 -5.839 500 H TYR 68 H TYR 68 -3.400 1.490 -8.160 501 HA TYR 68 HA TYR 68 -4.500 0.459 -10.561 502 1HB TYR 68 1HB TYR 68 -2.359 -1.044 -10.869 503 2HB TYR 68 2HB TYR 68 -2.235 0.612 -11.427 504 HD1 TYR 68 HD1 TYR 68 -1.493 -1.557 -8.472 505 HD2 TYR 68 HD2 TYR 68 -0.519 2.006 -10.632 506 HE1 TYR 68 HE1 TYR 68 0.535 -1.200 -6.982 507 HE2 TYR 68 HE2 TYR 68 1.507 2.350 -9.135 508 HH TYR 68 HH TYR 68 2.554 -0.108 -6.925 509 H SER 69 H SER 69 -4.367 -2.109 -10.448 510 HA SER 69 HA SER 69 -4.566 -2.807 -7.623 511 1HB SER 69 1HB SER 69 -6.226 -4.430 -9.444 512 2HB SER 69 2HB SER 69 -6.645 -3.695 -7.910 513 HG SER 69 HG SER 69 -7.571 -2.897 -10.175 514 H VAL 70 H VAL 70 -3.986 -5.053 -7.095 515 HA VAL 70 HA VAL 70 -2.778 -6.587 -9.243 516 HB VAL 70 HB VAL 70 -0.689 -6.865 -7.972 517 1HG1 VAL 70 1HG1 VAL 70 -1.392 -4.016 -8.753 518 2HG1 VAL 70 2HG1 VAL 70 0.262 -4.611 -8.469 519 3HG1 VAL 70 3HG1 VAL 70 -0.709 -5.285 -9.800 520 1HG2 VAL 70 1HG2 VAL 70 -1.910 -4.757 -6.168 521 2HG2 VAL 70 2HG2 VAL 70 -1.336 -6.384 -5.728 522 3HG2 VAL 70 3HG2 VAL 70 -0.169 -5.128 -6.204 523 H THR 71 H THR 71 -2.996 -8.788 -8.915 524 HA THR 71 HA THR 71 -4.501 -9.527 -6.527 525 HB THR 71 HB THR 71 -3.991 -10.743 -9.277 526 HG1 THR 71 HG1 THR 71 -5.697 -9.116 -8.846 527 1HG2 THR 71 1HG2 THR 71 -5.408 -11.989 -6.861 528 2HG2 THR 71 2HG2 THR 71 -5.555 -12.580 -8.535 529 3HG2 THR 71 3HG2 THR 71 -3.985 -12.656 -7.699 530 H LEU 72 H LEU 72 -3.695 -10.633 -4.847 531 HA LEU 72 HA LEU 72 -0.928 -11.545 -5.137 532 1HB LEU 72 1HB LEU 72 -2.559 -10.814 -2.703 533 2HB LEU 72 2HB LEU 72 -0.942 -11.488 -2.644 534 HG LEU 72 HG LEU 72 -1.137 -8.982 -2.361 535 1HD1 LEU 72 1HD1 LEU 72 0.893 -10.444 -3.251 536 2HD1 LEU 72 2HD1 LEU 72 0.628 -9.471 -4.716 537 3HD1 LEU 72 3HD1 LEU 72 0.973 -8.668 -3.166 538 1HD2 LEU 72 1HD2 LEU 72 -2.851 -8.836 -4.285 539 2HD2 LEU 72 2HD2 LEU 72 -1.622 -7.556 -4.135 540 3HD2 LEU 72 3HD2 LEU 72 -1.428 -8.838 -5.354 541 H GLY 73 H GLY 73 -0.486 -13.511 -3.524 542 1HA GLY 73 1HA GLY 73 -2.704 -15.396 -3.461 543 2HA GLY 73 2HA GLY 73 -1.381 -15.800 -4.538 544 H THR 74 H THR 74 0.909 -15.014 -3.227 545 HA THR 74 HA THR 74 1.435 -17.053 -1.490 546 HB THR 74 HB THR 74 2.618 -14.341 -2.102 547 HG1 THR 74 HG1 THR 74 3.497 -15.914 -3.401 548 1HG2 THR 74 1HG2 THR 74 3.709 -16.275 0.009 549 2HG2 THR 74 2HG2 THR 74 4.516 -14.806 -0.590 550 3HG2 THR 74 3HG2 THR 74 3.027 -14.673 0.375 551 HA PRO 75 HA PRO 75 -0.734 -15.940 2.085 552 1HB PRO 75 1HB PRO 75 -0.075 -18.122 3.594 553 2HB PRO 75 2HB PRO 75 -1.402 -18.114 2.448 554 1HG PRO 75 1HG PRO 75 1.261 -19.373 2.193 555 2HG PRO 75 2HG PRO 75 -0.199 -19.698 1.280 556 1HD PRO 75 1HD PRO 75 2.077 -18.190 0.398 557 2HD PRO 75 2HD PRO 75 0.572 -18.418 -0.469 558 H GLY 76 H GLY 76 -0.425 -14.792 3.953 559 1HA GLY 76 1HA GLY 76 1.348 -14.815 5.826 560 2HA GLY 76 2HA GLY 76 2.426 -14.345 4.526 561 H THR 77 H THR 77 2.452 -12.490 6.362 562 HA THR 77 HA THR 77 0.367 -10.529 5.693 563 HB THR 77 HB THR 77 0.881 -11.360 8.127 564 HG1 THR 77 HG1 THR 77 -0.344 -9.453 7.790 565 1HG2 THR 77 1HG2 THR 77 3.474 -10.822 7.637 566 2HG2 THR 77 2HG2 THR 77 2.964 -9.169 8.060 567 3HG2 THR 77 3HG2 THR 77 2.762 -10.492 9.235 568 H TYR 78 H TYR 78 0.815 -8.927 4.328 569 HA TYR 78 HA TYR 78 3.631 -8.471 3.695 570 1HB TYR 78 1HB TYR 78 0.918 -7.639 2.492 571 2HB TYR 78 2HB TYR 78 2.454 -7.185 1.781 572 HD1 TYR 78 HD1 TYR 78 0.737 -10.315 2.962 573 HD2 TYR 78 HD2 TYR 78 3.192 -8.456 -0.008 574 HE1 TYR 78 HE1 TYR 78 0.762 -12.475 1.621 575 HE2 TYR 78 HE2 TYR 78 3.210 -10.623 -1.339 576 HH TYR 78 HH TYR 78 1.740 -12.602 -1.571 577 H SER 79 H SER 79 4.686 -6.557 4.107 578 HA SER 79 HA SER 79 3.052 -4.537 5.435 579 1HB SER 79 1HB SER 79 5.459 -3.863 6.342 580 2HB SER 79 2HB SER 79 4.538 -5.143 7.107 581 HG SER 79 HG SER 79 5.753 -6.714 5.933 582 H PHE 80 H PHE 80 3.509 -2.276 4.936 583 HA PHE 80 HA PHE 80 5.418 -1.741 2.842 584 1HB PHE 80 1HB PHE 80 3.352 -0.530 1.647 585 2HB PHE 80 2HB PHE 80 3.601 -2.244 1.382 586 HD1 PHE 80 HD1 PHE 80 2.242 -3.890 2.732 587 HD2 PHE 80 HD2 PHE 80 1.380 0.265 2.676 588 HE1 PHE 80 HE1 PHE 80 -0.072 -4.359 3.582 589 HE2 PHE 80 HE2 PHE 80 -0.933 -0.204 3.527 590 HZ PHE 80 HZ PHE 80 -1.632 -2.510 3.971 591 H TYR 81 H TYR 81 5.152 0.756 2.212 592 HA TYR 81 HA TYR 81 4.024 2.400 4.251 593 1HB TYR 81 1HB TYR 81 6.283 3.239 5.012 594 2HB TYR 81 2HB TYR 81 6.116 1.530 5.358 595 HD1 TYR 81 HD1 TYR 81 7.499 3.883 2.799 596 HD2 TYR 81 HD2 TYR 81 7.736 0.009 4.599 597 HE1 TYR 81 HE1 TYR 81 9.638 3.406 1.511 598 HE2 TYR 81 HE2 TYR 81 9.874 -0.454 3.306 599 HH TYR 81 HH TYR 81 11.482 2.059 1.523 600 H CYS 82 H CYS 82 4.324 4.721 3.773 601 HA CYS 82 HA CYS 82 4.487 5.093 0.933 602 1HB CYS 82 1HB CYS 82 3.004 6.246 2.943 603 2HB CYS 82 2HB CYS 82 4.204 7.481 2.618 604 H THR 83 H THR 83 6.238 5.980 -0.164 605 HA THR 83 HA THR 83 8.723 6.147 1.144 606 HB THR 83 HB THR 83 7.557 6.490 -1.573 607 HG1 THR 83 HG1 THR 83 8.898 4.715 -0.436 608 1HG2 THR 83 1HG2 THR 83 10.152 7.887 -0.737 609 2HG2 THR 83 2HG2 THR 83 9.716 7.508 -2.421 610 3HG2 THR 83 3HG2 THR 83 8.734 8.660 -1.486 611 HA PRO 84 HA PRO 84 8.049 10.800 0.968 612 1HB PRO 84 1HB PRO 84 5.585 11.819 0.366 613 2HB PRO 84 2HB PRO 84 6.862 11.634 -0.820 614 1HG PRO 84 1HG PRO 84 4.427 10.002 -0.451 615 2HG PRO 84 2HG PRO 84 5.475 10.109 -1.851 616 1HD PRO 84 1HD PRO 84 5.392 7.982 0.071 617 2HD PRO 84 2HD PRO 84 6.517 8.146 -1.261 618 H HIS 85 H HIS 85 4.985 9.338 1.933 619 HA HIS 85 HA HIS 85 5.074 10.919 4.350 620 1HB HIS 85 1HB HIS 85 3.032 8.870 3.447 621 2HB HIS 85 2HB HIS 85 2.860 10.000 4.776 622 HD2 HIS 85 HD2 HIS 85 3.160 12.862 3.679 623 HE1 HIS 85 HE1 HIS 85 1.080 11.702 0.152 624 HE2 HIS 85 HE2 HIS 85 1.857 13.668 1.643 625 H ARG 86 H ARG 86 7.319 9.296 4.199 626 HA ARG 86 HA ARG 86 6.757 6.848 5.529 627 1HB ARG 86 1HB ARG 86 9.199 6.517 5.471 628 2HB ARG 86 2HB ARG 86 8.656 7.100 3.909 629 1HG ARG 86 1HG ARG 86 9.251 9.466 4.683 630 2HG ARG 86 2HG ARG 86 9.970 8.754 6.113 631 1HD ARG 86 1HD ARG 86 11.172 7.232 4.164 632 2HD ARG 86 2HD ARG 86 10.949 8.733 3.288 633 HE ARG 86 HE ARG 86 12.000 9.644 5.641 634 1HH1 ARG 86 1HH1 ARG 86 12.996 7.040 3.493 635 2HH1 ARG 86 2HH1 ARG 86 14.675 7.179 3.895 636 1HH2 ARG 86 1HH2 ARG 86 14.215 9.827 6.172 637 2HH2 ARG 86 2HH2 ARG 86 15.373 8.774 5.430 638 H GLY 87 H GLY 87 8.016 10.120 6.325 639 1HA GLY 87 1HA GLY 87 8.561 9.380 9.085 640 2HA GLY 87 2HA GLY 87 8.836 10.930 8.316 641 H ALA 88 H ALA 88 6.070 11.006 7.102 642 HA ALA 88 HA ALA 88 4.800 12.352 9.218 643 1HB ALA 88 1HB ALA 88 4.538 12.045 6.403 644 2HB ALA 88 2HB ALA 88 2.972 11.586 7.116 645 3HB ALA 88 3HB ALA 88 3.675 13.185 7.463 646 H GLY 89 H GLY 89 5.112 9.007 8.448 647 1HA GLY 89 1HA GLY 89 4.363 7.263 9.731 648 2HA GLY 89 2HA GLY 89 3.233 8.323 10.550 649 H MET 90 H MET 90 3.824 6.380 7.607 650 HA MET 90 HA MET 90 0.970 6.111 7.343 651 1HB MET 90 1HB MET 90 1.578 8.041 5.854 652 2HB MET 90 2HB MET 90 2.802 7.063 5.070 653 1HG MET 90 1HG MET 90 1.258 5.868 3.826 654 2HG MET 90 2HG MET 90 0.063 5.862 5.109 655 1HE MET 90 1HE MET 90 -1.571 6.189 3.004 656 2HE MET 90 2HE MET 90 -1.631 7.667 2.014 657 3HE MET 90 3HE MET 90 -0.275 6.529 1.833 658 H VAL 91 H VAL 91 1.605 3.951 8.167 659 HA VAL 91 HA VAL 91 2.718 2.312 5.998 660 HB VAL 91 HB VAL 91 3.605 0.847 7.832 661 1HG1 VAL 91 1HG1 VAL 91 4.725 3.033 6.583 662 2HG1 VAL 91 2HG1 VAL 91 5.052 3.364 8.301 663 3HG1 VAL 91 3HG1 VAL 91 5.605 1.839 7.567 664 1HG2 VAL 91 1HG2 VAL 91 2.130 2.610 9.479 665 2HG2 VAL 91 2HG2 VAL 91 3.183 1.265 9.982 666 3HG2 VAL 91 3HG2 VAL 91 3.849 2.910 9.834 667 H GLY 92 H GLY 92 1.737 0.247 5.694 668 1HA GLY 92 1HA GLY 92 -0.678 -0.261 7.302 669 2HA GLY 92 2HA GLY 92 -0.796 -0.153 5.557 670 H THR 93 H THR 93 -1.617 -2.513 6.524 671 HA THR 93 HA THR 93 0.553 -4.314 5.742 672 HB THR 93 HB THR 93 -1.221 -5.052 8.081 673 HG1 THR 93 HG1 THR 93 1.194 -3.381 8.007 674 1HG2 THR 93 1HG2 THR 93 0.835 -6.377 6.841 675 2HG2 THR 93 2HG2 THR 93 1.754 -5.429 8.034 676 3HG2 THR 93 3HG2 THR 93 0.482 -6.550 8.577 677 H ILE 94 H ILE 94 -0.222 -6.457 5.056 678 HA ILE 94 HA ILE 94 -3.059 -6.571 4.475 679 HB ILE 94 HB ILE 94 -0.916 -6.402 2.368 680 1HG1 ILE 94 1HG1 ILE 94 -3.563 -4.947 2.639 681 2HG1 ILE 94 2HG1 ILE 94 -2.027 -4.309 3.193 682 1HG2 ILE 94 1HG2 ILE 94 -2.402 -8.417 2.048 683 2HG2 ILE 94 2HG2 ILE 94 -3.767 -7.286 1.880 684 3HG2 ILE 94 3HG2 ILE 94 -2.414 -7.227 0.724 685 1HD1 ILE 94 1HD1 ILE 94 -1.928 -5.319 0.410 686 2HD1 ILE 94 2HD1 ILE 94 -3.065 -3.970 0.646 687 3HD1 ILE 94 3HD1 ILE 94 -1.351 -3.774 1.080 688 H THR 95 H THR 95 -3.798 -8.616 4.783 689 HA THR 95 HA THR 95 -1.744 -10.718 4.957 690 HB THR 95 HB THR 95 -4.479 -10.457 6.316 691 HG1 THR 95 HG1 THR 95 -2.944 -8.988 7.210 692 1HG2 THR 95 1HG2 THR 95 -2.159 -12.432 6.622 693 2HG2 THR 95 2HG2 THR 95 -3.454 -12.241 7.829 694 3HG2 THR 95 3HG2 THR 95 -3.841 -12.822 6.191 695 H VAL 96 H VAL 96 -2.080 -12.737 3.991 696 HA VAL 96 HA VAL 96 -4.372 -12.823 2.160 697 HB VAL 96 HB VAL 96 -1.448 -13.136 1.607 698 1HG1 VAL 96 1HG1 VAL 96 -3.572 -14.920 0.616 699 2HG1 VAL 96 2HG1 VAL 96 -2.598 -14.164 -0.667 700 3HG1 VAL 96 3HG1 VAL 96 -1.803 -15.121 0.607 701 1HG2 VAL 96 1HG2 VAL 96 -2.894 -11.069 1.077 702 2HG2 VAL 96 2HG2 VAL 96 -1.861 -11.718 -0.220 703 3HG2 VAL 96 3HG2 VAL 96 -3.608 -12.065 -0.214 704 H GLU 97 H GLU 97 -5.332 -14.078 3.965 705 HA GLU 97 HA GLU 97 -4.041 -16.608 4.451 706 1HB GLU 97 1HB GLU 97 -5.281 -15.034 6.186 707 2HB GLU 97 2HB GLU 97 -6.729 -15.820 5.589 708 1HG GLU 97 1HG GLU 97 -4.829 -17.908 6.025 709 2HG GLU 97 2HG GLU 97 -4.712 -16.853 7.419 Start of MODEL 6 1 H ALA 1 H ALA 1 -13.457 -11.622 -1.695 2 HA ALA 1 HA ALA 1 -11.304 -11.798 -2.184 3 1HB ALA 1 1HB ALA 1 -12.475 -13.720 -3.527 4 2HB ALA 1 2HB ALA 1 -12.038 -12.751 -4.955 5 3HB ALA 1 3HB ALA 1 -10.767 -13.345 -3.860 6 H SER 2 H SER 2 -11.611 -9.286 -2.164 7 HA SER 2 HA SER 2 -9.885 -8.215 -3.943 8 1HB SER 2 1HB SER 2 -11.500 -6.791 -5.362 9 2HB SER 2 2HB SER 2 -11.318 -8.473 -5.817 10 HG SER 2 HG SER 2 -13.286 -8.667 -4.172 11 H VAL 3 H VAL 3 -9.132 -6.742 -2.459 12 HA VAL 3 HA VAL 3 -11.155 -5.105 -1.092 13 HB VAL 3 HB VAL 3 -9.229 -4.838 0.600 14 1HG1 VAL 3 1HG1 VAL 3 -11.203 -6.990 0.232 15 2HG1 VAL 3 2HG1 VAL 3 -9.872 -7.410 1.335 16 3HG1 VAL 3 3HG1 VAL 3 -10.866 -5.968 1.650 17 1HG2 VAL 3 1HG2 VAL 3 -7.454 -5.838 -0.750 18 2HG2 VAL 3 2HG2 VAL 3 -7.702 -6.770 0.747 19 3HG2 VAL 3 3HG2 VAL 3 -8.337 -7.383 -0.799 20 H GLN 4 H GLN 4 -9.900 -2.960 -0.242 21 HA GLN 4 HA GLN 4 -8.123 -2.037 -2.318 22 1HB GLN 4 1HB GLN 4 -9.551 0.114 -2.485 23 2HB GLN 4 2HB GLN 4 -10.136 -1.308 -3.326 24 1HG GLN 4 1HG GLN 4 -12.087 -1.084 -2.190 25 2HG GLN 4 2HG GLN 4 -11.227 -1.565 -0.740 26 1HE2 GLN 4 2HE2 GLN 4 -13.343 0.018 -0.449 27 2HE2 GLN 4 1HE2 GLN 4 -12.907 1.639 -0.022 28 H ILE 5 H ILE 5 -7.078 0.089 -1.714 29 HA ILE 5 HA ILE 5 -7.280 0.630 1.155 30 HB ILE 5 HB ILE 5 -5.134 -0.708 -0.129 31 1HG1 ILE 5 1HG1 ILE 5 -5.843 0.222 2.626 32 2HG1 ILE 5 2HG1 ILE 5 -5.644 -1.405 2.009 33 1HG2 ILE 5 1HG2 ILE 5 -4.308 1.520 -0.775 34 2HG2 ILE 5 2HG2 ILE 5 -4.327 2.013 0.935 35 3HG2 ILE 5 3HG2 ILE 5 -3.237 0.713 0.396 36 1HD1 ILE 5 1HD1 ILE 5 -3.137 -0.821 1.700 37 2HD1 ILE 5 2HD1 ILE 5 -3.475 0.604 2.712 38 3HD1 ILE 5 3HD1 ILE 5 -3.721 -1.032 3.368 39 H LYS 6 H LYS 6 -7.559 2.762 1.558 40 HA LYS 6 HA LYS 6 -7.145 4.568 -0.698 41 1HB LYS 6 1HB LYS 6 -9.062 4.378 1.521 42 2HB LYS 6 2HB LYS 6 -8.431 5.997 1.289 43 1HG LYS 6 1HG LYS 6 -9.072 5.966 -1.087 44 2HG LYS 6 2HG LYS 6 -9.552 4.284 -0.978 45 1HD LYS 6 1HD LYS 6 -11.491 4.766 0.267 46 2HD LYS 6 2HD LYS 6 -10.838 6.260 0.911 47 1HE LYS 6 1HE LYS 6 -12.419 7.015 -0.683 48 2HE LYS 6 2HE LYS 6 -10.899 7.139 -1.547 49 1HZ LYS 6 1HZ LYS 6 -12.158 4.584 -1.770 50 2HZ LYS 6 2HZ LYS 6 -13.028 5.803 -2.418 51 3HZ LYS 6 3HZ LYS 6 -11.503 5.527 -2.931 52 H MET 7 H MET 7 -5.397 5.870 -0.773 53 HA MET 7 HA MET 7 -3.723 5.936 1.562 54 1HB MET 7 1HB MET 7 -3.259 7.343 -1.115 55 2HB MET 7 2HB MET 7 -2.043 6.815 0.031 56 1HG MET 7 1HG MET 7 -3.087 4.398 -0.424 57 2HG MET 7 2HG MET 7 -3.682 5.146 -1.893 58 1HE MET 7 1HE MET 7 -0.849 5.100 0.470 59 2HE MET 7 2HE MET 7 0.577 4.595 -0.469 60 3HE MET 7 3HE MET 7 0.103 6.310 -0.422 61 H GLY 8 H GLY 8 -4.462 7.371 3.113 62 1HA GLY 8 1HA GLY 8 -4.149 9.700 3.719 63 2HA GLY 8 2HA GLY 8 -4.899 10.152 2.200 64 H THR 9 H THR 9 -5.686 10.784 5.042 65 HA THR 9 HA THR 9 -8.353 9.528 5.021 66 HB THR 9 HB THR 9 -8.172 10.293 7.548 67 HG1 THR 9 HG1 THR 9 -5.381 9.955 6.759 68 1HG2 THR 9 1HG2 THR 9 -6.496 8.046 6.326 69 2HG2 THR 9 2HG2 THR 9 -6.655 8.278 8.084 70 3HG2 THR 9 3HG2 THR 9 -8.091 7.905 7.102 71 H ASP 10 H ASP 10 -10.137 10.916 5.860 72 HA ASP 10 HA ASP 10 -10.228 13.231 4.360 73 1HB ASP 10 1HB ASP 10 -12.315 12.264 4.897 74 2HB ASP 10 2HB ASP 10 -11.892 12.040 6.584 75 H LYS 11 H LYS 11 -8.707 12.526 7.370 76 HA LYS 11 HA LYS 11 -8.992 15.221 8.412 77 1HB LYS 11 1HB LYS 11 -7.997 14.382 10.406 78 2HB LYS 11 2HB LYS 11 -9.188 13.208 9.884 79 1HG LYS 11 1HG LYS 11 -7.286 11.941 8.718 80 2HG LYS 11 2HG LYS 11 -6.165 13.036 9.504 81 1HD LYS 11 1HD LYS 11 -6.185 11.571 11.246 82 2HD LYS 11 2HD LYS 11 -7.761 12.230 11.635 83 1HE LYS 11 1HE LYS 11 -8.780 10.492 10.051 84 2HE LYS 11 2HE LYS 11 -7.188 9.770 9.921 85 1HZ LYS 11 1HZ LYS 11 -8.547 10.206 12.487 86 2HZ LYS 11 2HZ LYS 11 -8.622 8.804 11.652 87 3HZ LYS 11 3HZ LYS 11 -7.189 9.336 12.228 88 H TYR 12 H TYR 12 -7.769 15.047 5.841 89 HA TYR 12 HA TYR 12 -5.849 15.413 4.730 90 1HB TYR 12 1HB TYR 12 -6.432 17.362 6.878 91 2HB TYR 12 2HB TYR 12 -4.713 17.343 6.542 92 HD1 TYR 12 HD1 TYR 12 -3.846 18.061 4.355 93 HD2 TYR 12 HD2 TYR 12 -8.033 18.177 5.227 94 HE1 TYR 12 HE1 TYR 12 -4.229 19.570 2.345 95 HE2 TYR 12 HE2 TYR 12 -8.402 19.687 3.213 96 HH TYR 12 HH TYR 12 -6.352 19.985 0.787 97 H ALA 13 H ALA 13 -5.584 13.191 6.650 98 HA ALA 13 HA ALA 13 -2.767 13.555 7.407 99 1HB ALA 13 1HB ALA 13 -4.954 11.770 8.543 100 2HB ALA 13 2HB ALA 13 -3.241 11.685 9.021 101 3HB ALA 13 3HB ALA 13 -4.180 13.163 9.338 102 HA PRO 14 HA PRO 14 -2.173 10.663 4.174 103 1HB PRO 14 1HB PRO 14 0.557 10.765 4.129 104 2HB PRO 14 2HB PRO 14 -0.458 11.893 3.254 105 1HG PRO 14 1HG PRO 14 1.074 12.326 5.744 106 2HG PRO 14 2HG PRO 14 0.415 13.517 4.640 107 1HD PRO 14 1HD PRO 14 -0.656 12.764 7.192 108 2HD PRO 14 2HD PRO 14 -1.377 13.867 6.037 109 H LEU 15 H LEU 15 -3.003 8.774 4.977 110 HA LEU 15 HA LEU 15 -0.939 7.061 6.055 111 1HB LEU 15 1HB LEU 15 -2.289 6.372 7.975 112 2HB LEU 15 2HB LEU 15 -1.744 8.035 8.078 113 HG LEU 15 HG LEU 15 -4.288 8.166 6.877 114 1HD1 LEU 15 1HD1 LEU 15 -4.163 5.721 8.198 115 2HD1 LEU 15 2HD1 LEU 15 -4.974 6.804 9.353 116 3HD1 LEU 15 3HD1 LEU 15 -5.632 6.601 7.713 117 1HD2 LEU 15 1HD2 LEU 15 -3.063 8.907 9.497 118 2HD2 LEU 15 2HD2 LEU 15 -3.786 9.932 8.233 119 3HD2 LEU 15 3HD2 LEU 15 -4.833 9.001 9.331 120 H TYR 16 H TYR 16 -1.485 4.788 5.849 121 HA TYR 16 HA TYR 16 -3.172 4.338 3.584 122 1HB TYR 16 1HB TYR 16 -1.403 2.778 5.530 123 2HB TYR 16 2HB TYR 16 -2.430 1.880 4.429 124 HD1 TYR 16 HD1 TYR 16 -2.232 2.637 1.871 125 HD2 TYR 16 HD2 TYR 16 0.763 3.284 4.857 126 HE1 TYR 16 HE1 TYR 16 -0.461 2.847 0.059 127 HE2 TYR 16 HE2 TYR 16 2.525 3.491 3.035 128 HH TYR 16 HH TYR 16 2.910 3.579 0.909 129 H GLU 17 H GLU 17 -5.235 3.537 3.507 130 HA GLU 17 HA GLU 17 -6.300 2.513 6.013 131 1HB GLU 17 1HB GLU 17 -6.938 5.013 5.254 132 2HB GLU 17 2HB GLU 17 -8.097 4.165 4.251 133 1HG GLU 17 1HG GLU 17 -9.028 3.010 6.232 134 2HG GLU 17 2HG GLU 17 -7.806 3.731 7.261 135 HA PRO 18 HA PRO 18 -7.689 1.489 6.675 136 1HB PRO 18 1HB PRO 18 -7.950 -1.123 7.435 137 2HB PRO 18 2HB PRO 18 -9.316 -0.097 7.051 138 1HG PRO 18 1HG PRO 18 -8.114 -2.261 5.437 139 2HG PRO 18 2HG PRO 18 -9.697 -1.524 5.281 140 1HD PRO 18 1HD PRO 18 -7.409 -1.041 3.620 141 2HD PRO 18 2HD PRO 18 -8.956 -0.222 3.539 142 H LYS 19 H LYS 19 -6.367 1.097 8.568 143 HA LYS 19 HA LYS 19 -3.696 1.153 7.922 144 1HB LYS 19 1HB LYS 19 -5.333 1.121 10.308 145 2HB LYS 19 2HB LYS 19 -3.896 0.148 10.551 146 1HG LYS 19 1HG LYS 19 -3.518 2.795 9.178 147 2HG LYS 19 2HG LYS 19 -3.916 2.842 10.885 148 1HD LYS 19 1HD LYS 19 -1.855 0.818 10.285 149 2HD LYS 19 2HD LYS 19 -1.362 2.423 9.786 150 1HE LYS 19 1HE LYS 19 -2.619 2.621 12.391 151 2HE LYS 19 2HE LYS 19 -1.424 1.340 12.448 152 1HZ LYS 19 1HZ LYS 19 -0.214 3.335 11.071 153 2HZ LYS 19 2HZ LYS 19 -1.028 4.128 12.243 154 3HZ LYS 19 3HZ LYS 19 0.042 2.959 12.639 155 H ALA 20 H ALA 20 -5.835 -1.624 8.700 156 HA ALA 20 HA ALA 20 -3.617 -3.368 7.873 157 1HB ALA 20 1HB ALA 20 -5.641 -3.703 10.116 158 2HB ALA 20 2HB ALA 20 -4.673 -5.051 9.471 159 3HB ALA 20 3HB ALA 20 -3.866 -3.663 10.239 160 H LEU 21 H LEU 21 -4.211 -5.193 6.582 161 HA LEU 21 HA LEU 21 -7.008 -5.337 5.792 162 1HB LEU 21 1HB LEU 21 -6.354 -3.873 4.139 163 2HB LEU 21 2HB LEU 21 -4.733 -4.529 4.032 164 HG LEU 21 HG LEU 21 -5.565 -6.513 2.877 165 1HD1 LEU 21 1HD1 LEU 21 -8.022 -5.859 4.037 166 2HD1 LEU 21 2HD1 LEU 21 -8.256 -5.610 2.290 167 3HD1 LEU 21 3HD1 LEU 21 -7.683 -7.183 2.896 168 1HD2 LEU 21 1HD2 LEU 21 -4.989 -4.351 1.669 169 2HD2 LEU 21 2HD2 LEU 21 -5.985 -5.527 0.777 170 3HD2 LEU 21 3HD2 LEU 21 -6.743 -4.091 1.508 171 H SER 22 H SER 22 -7.659 -7.418 5.199 172 HA SER 22 HA SER 22 -5.518 -9.394 5.218 173 1HB SER 22 1HB SER 22 -6.786 -9.291 7.421 174 2HB SER 22 2HB SER 22 -8.235 -9.759 6.552 175 HG SER 22 HG SER 22 -7.595 -11.785 6.714 176 H ILE 23 H ILE 23 -5.844 -11.197 3.799 177 HA ILE 23 HA ILE 23 -8.350 -11.422 2.404 178 HB ILE 23 HB ILE 23 -7.499 -11.041 0.205 179 1HG1 ILE 23 1HG1 ILE 23 -4.856 -10.107 1.324 180 2HG1 ILE 23 2HG1 ILE 23 -5.114 -11.781 0.872 181 1HG2 ILE 23 1HG2 ILE 23 -8.409 -9.120 1.464 182 2HG2 ILE 23 2HG2 ILE 23 -6.757 -8.697 1.977 183 3HG2 ILE 23 3HG2 ILE 23 -7.197 -8.640 0.253 184 1HD1 ILE 23 1HD1 ILE 23 -6.151 -10.161 -1.264 185 2HD1 ILE 23 2HD1 ILE 23 -4.536 -9.542 -0.843 186 3HD1 ILE 23 3HD1 ILE 23 -4.744 -11.252 -1.294 187 H SER 24 H SER 24 -7.706 -13.149 0.402 188 HA SER 24 HA SER 24 -6.166 -15.192 1.805 189 1HB SER 24 1HB SER 24 -7.757 -16.831 0.569 190 2HB SER 24 2HB SER 24 -8.383 -15.982 1.969 191 HG SER 24 HG SER 24 -9.806 -14.945 0.737 192 H ALA 25 H ALA 25 -5.546 -17.049 0.107 193 HA ALA 25 HA ALA 25 -3.961 -15.794 -1.860 194 1HB ALA 25 1HB ALA 25 -3.911 -18.164 -0.505 195 2HB ALA 25 2HB ALA 25 -4.524 -18.703 -2.086 196 3HB ALA 25 3HB ALA 25 -2.970 -17.842 -1.981 197 H GLY 26 H GLY 26 -4.998 -14.702 -3.495 198 1HA GLY 26 1HA GLY 26 -5.796 -15.363 -5.768 199 2HA GLY 26 2HA GLY 26 -7.105 -16.191 -4.946 200 H ASP 27 H ASP 27 -6.504 -13.611 -2.950 201 HA ASP 27 HA ASP 27 -8.761 -12.224 -3.988 202 1HB ASP 27 1HB ASP 27 -6.985 -11.999 -1.550 203 2HB ASP 27 2HB ASP 27 -8.013 -10.641 -1.962 204 H THR 28 H THR 28 -8.458 -9.584 -3.780 205 HA THR 28 HA THR 28 -5.896 -8.865 -5.030 206 HB THR 28 HB THR 28 -8.660 -7.896 -5.922 207 HG1 THR 28 HG1 THR 28 -8.090 -10.255 -6.239 208 1HG2 THR 28 1HG2 THR 28 -6.674 -6.432 -6.518 209 2HG2 THR 28 2HG2 THR 28 -5.922 -7.846 -7.296 210 3HG2 THR 28 3HG2 THR 28 -7.440 -7.177 -7.942 211 H VAL 29 H VAL 29 -5.323 -6.580 -4.827 212 HA VAL 29 HA VAL 29 -6.764 -5.249 -2.656 213 HB VAL 29 HB VAL 29 -3.766 -5.626 -2.803 214 1HG1 VAL 29 1HG1 VAL 29 -5.516 -3.817 -1.265 215 2HG1 VAL 29 2HG1 VAL 29 -4.346 -4.723 -0.278 216 3HG1 VAL 29 3HG1 VAL 29 -3.775 -3.707 -1.622 217 1HG2 VAL 29 1HG2 VAL 29 -5.832 -7.306 -1.698 218 2HG2 VAL 29 2HG2 VAL 29 -4.070 -7.558 -1.731 219 3HG2 VAL 29 3HG2 VAL 29 -4.816 -6.660 -0.387 220 H GLU 30 H GLU 30 -7.562 -3.465 -3.654 221 HA GLU 30 HA GLU 30 -6.002 -2.296 -5.769 222 1HB GLU 30 1HB GLU 30 -8.321 -2.461 -6.284 223 2HB GLU 30 2HB GLU 30 -8.811 -1.875 -4.706 224 1HG GLU 30 1HG GLU 30 -7.135 -0.051 -6.429 225 2HG GLU 30 2HG GLU 30 -8.815 -0.277 -6.871 226 H PHE 31 H PHE 31 -5.302 -0.056 -5.783 227 HA PHE 31 HA PHE 31 -5.222 1.135 -3.102 228 1HB PHE 31 1HB PHE 31 -3.113 0.751 -5.292 229 2HB PHE 31 2HB PHE 31 -2.908 2.001 -4.081 230 HD1 PHE 31 HD1 PHE 31 -2.946 -1.607 -4.691 231 HD2 PHE 31 HD2 PHE 31 -2.406 1.430 -1.776 232 HE1 PHE 31 HE1 PHE 31 -1.919 -3.285 -3.133 233 HE2 PHE 31 HE2 PHE 31 -1.378 -0.248 -0.219 234 HZ PHE 31 HZ PHE 31 -1.147 -2.586 -0.916 235 H VAL 32 H VAL 32 -6.118 3.139 -3.036 236 HA VAL 32 HA VAL 32 -6.036 4.707 -5.516 237 HB VAL 32 HB VAL 32 -8.264 3.544 -4.902 238 1HG1 VAL 32 1HG1 VAL 32 -8.265 5.828 -2.901 239 2HG1 VAL 32 2HG1 VAL 32 -9.690 4.866 -3.361 240 3HG1 VAL 32 3HG1 VAL 32 -8.319 4.087 -2.535 241 1HG2 VAL 32 1HG2 VAL 32 -7.626 5.818 -6.317 242 2HG2 VAL 32 2HG2 VAL 32 -9.223 5.032 -6.288 243 3HG2 VAL 32 3HG2 VAL 32 -8.886 6.403 -5.205 244 H MET 33 H MET 33 -5.549 6.891 -5.261 245 HA MET 33 HA MET 33 -4.490 7.536 -2.674 246 1HB MET 33 1HB MET 33 -4.346 8.620 -5.488 247 2HB MET 33 2HB MET 33 -4.063 9.772 -4.199 248 1HG MET 33 1HG MET 33 -2.208 8.465 -3.317 249 2HG MET 33 2HG MET 33 -2.600 7.098 -4.340 250 1HE MET 33 1HE MET 33 -2.356 10.785 -4.436 251 2HE MET 33 2HE MET 33 -0.579 10.746 -4.524 252 3HE MET 33 3HE MET 33 -1.530 11.206 -5.956 253 H ASN 34 H ASN 34 -5.764 8.450 -1.124 254 HA ASN 34 HA ASN 34 -8.259 9.534 -1.782 255 1HB ASN 34 1HB ASN 34 -6.714 8.898 0.624 256 2HB ASN 34 2HB ASN 34 -7.486 10.460 0.814 257 1HD2 ASN 34 2HD2 ASN 34 -9.068 9.975 2.195 258 2HD2 ASN 34 1HD2 ASN 34 -10.365 8.866 1.901 259 H LYS 35 H LYS 35 -5.403 11.047 -0.076 260 HA LYS 35 HA LYS 35 -5.332 13.280 -1.806 261 1HB LYS 35 1HB LYS 35 -6.192 15.004 -0.393 262 2HB LYS 35 2HB LYS 35 -7.439 13.788 -0.576 263 1HG LYS 35 1HG LYS 35 -5.742 13.132 1.707 264 2HG LYS 35 2HG LYS 35 -6.330 14.775 1.856 265 1HD LYS 35 1HD LYS 35 -8.350 12.736 0.991 266 2HD LYS 35 2HD LYS 35 -7.766 12.581 2.636 267 1HE LYS 35 1HE LYS 35 -8.837 15.195 1.472 268 2HE LYS 35 2HE LYS 35 -9.827 14.059 2.366 269 1HZ LYS 35 1HZ LYS 35 -7.348 14.890 3.599 270 2HZ LYS 35 2HZ LYS 35 -8.546 15.997 3.531 271 3HZ LYS 35 3HZ LYS 35 -8.794 14.569 4.286 272 H VAL 36 H VAL 36 -4.173 15.148 0.015 273 HA VAL 36 HA VAL 36 -2.111 15.605 0.711 274 HB VAL 36 HB VAL 36 -3.192 14.873 2.753 275 1HG1 VAL 36 1HG1 VAL 36 -2.207 12.119 1.958 276 2HG1 VAL 36 2HG1 VAL 36 -2.738 12.534 3.604 277 3HG1 VAL 36 3HG1 VAL 36 -3.883 12.645 2.246 278 1HG2 VAL 36 1HG2 VAL 36 -0.767 15.540 2.733 279 2HG2 VAL 36 2HG2 VAL 36 -1.236 14.490 4.092 280 3HG2 VAL 36 3HG2 VAL 36 -0.351 13.809 2.705 281 H GLY 37 H GLY 37 -1.704 14.673 -1.687 282 1HA GLY 37 1HA GLY 37 -0.015 12.291 -1.610 283 2HA GLY 37 2HA GLY 37 -0.581 13.155 -3.026 284 HA PRO 38 HA PRO 38 0.808 12.442 -4.120 285 1HB PRO 38 1HB PRO 38 3.141 11.422 -5.114 286 2HB PRO 38 2HB PRO 38 2.319 12.797 -5.822 287 1HG PRO 38 1HG PRO 38 4.768 12.752 -4.167 288 2HG PRO 38 2HG PRO 38 4.178 14.023 -5.219 289 1HD PRO 38 1HD PRO 38 4.033 13.959 -2.355 290 2HD PRO 38 2HD PRO 38 3.340 15.173 -3.414 291 H HIS 39 H HIS 39 1.637 9.948 -4.625 292 HA HIS 39 HA HIS 39 2.366 8.835 -2.054 293 1HB HIS 39 1HB HIS 39 -0.237 8.176 -3.459 294 2HB HIS 39 2HB HIS 39 0.450 7.224 -2.157 295 HD2 HIS 39 HD2 HIS 39 -1.380 10.653 -2.680 296 HE1 HIS 39 HE1 HIS 39 -0.983 9.994 1.506 297 HE2 HIS 39 HE2 HIS 39 -1.977 11.499 -0.351 298 H ASN 40 H ASN 40 1.997 6.137 -2.610 299 HA ASN 40 HA ASN 40 2.635 5.387 -5.180 300 1HB ASN 40 1HB ASN 40 5.028 4.961 -5.087 301 2HB ASN 40 2HB ASN 40 4.799 6.634 -4.618 302 1HD2 ASN 40 2HD2 ASN 40 7.091 5.551 -3.924 303 2HD2 ASN 40 1HD2 ASN 40 7.190 5.190 -2.233 304 H VAL 41 H VAL 41 4.585 3.243 -4.333 305 HA VAL 41 HA VAL 41 3.321 1.928 -2.101 306 HB VAL 41 HB VAL 41 3.152 0.803 -4.904 307 1HG1 VAL 41 1HG1 VAL 41 2.758 -0.420 -2.190 308 2HG1 VAL 41 2HG1 VAL 41 1.741 -0.962 -3.547 309 3HG1 VAL 41 3HG1 VAL 41 3.513 -1.103 -3.651 310 1HG2 VAL 41 1HG2 VAL 41 1.023 1.784 -2.976 311 2HG2 VAL 41 2HG2 VAL 41 1.429 2.448 -4.577 312 3HG2 VAL 41 3HG2 VAL 41 0.684 0.837 -4.445 313 H ILE 42 H ILE 42 5.272 1.789 -1.024 314 HA ILE 42 HA ILE 42 7.376 0.328 -2.466 315 HB ILE 42 HB ILE 42 7.624 2.568 -0.460 316 1HG1 ILE 42 1HG1 ILE 42 7.119 3.141 -2.865 317 2HG1 ILE 42 2HG1 ILE 42 8.582 3.844 -2.204 318 1HG2 ILE 42 1HG2 ILE 42 9.251 0.543 -0.255 319 2HG2 ILE 42 2HG2 ILE 42 9.979 1.211 -1.737 320 3HG2 ILE 42 3HG2 ILE 42 9.897 2.202 -0.261 321 1HD1 ILE 42 1HD1 ILE 42 8.920 1.172 -3.499 322 2HD1 ILE 42 2HD1 ILE 42 8.505 2.520 -4.584 323 3HD1 ILE 42 3HD1 ILE 42 9.965 2.610 -3.569 324 H PHE 43 H PHE 43 6.242 -1.633 -1.715 325 HA PHE 43 HA PHE 43 5.566 -2.257 0.817 326 1HB PHE 43 1HB PHE 43 7.105 -3.881 -1.296 327 2HB PHE 43 2HB PHE 43 6.302 -4.621 0.074 328 HD1 PHE 43 HD1 PHE 43 3.802 -4.460 0.256 329 HD2 PHE 43 HD2 PHE 43 5.894 -3.267 -3.238 330 HE1 PHE 43 HE1 PHE 43 1.671 -4.592 -1.065 331 HE2 PHE 43 HE2 PHE 43 3.764 -3.397 -4.558 332 HZ PHE 43 HZ PHE 43 1.677 -4.059 -3.457 333 H ASP 44 H ASP 44 6.637 -3.497 2.553 334 HA ASP 44 HA ASP 44 9.261 -2.435 2.979 335 1HB ASP 44 1HB ASP 44 7.176 -2.838 4.654 336 2HB ASP 44 2HB ASP 44 7.960 -4.389 4.870 337 H LYS 45 H LYS 45 7.585 -5.676 3.025 338 HA LYS 45 HA LYS 45 9.344 -7.065 1.515 339 1HB LYS 45 1HB LYS 45 10.588 -6.384 4.028 340 2HB LYS 45 2HB LYS 45 10.390 -8.122 3.924 341 1HG LYS 45 1HG LYS 45 11.321 -7.836 1.467 342 2HG LYS 45 2HG LYS 45 11.891 -6.281 2.036 343 1HD LYS 45 1HD LYS 45 13.381 -7.237 3.598 344 2HD LYS 45 2HD LYS 45 12.478 -8.736 3.702 345 1HE LYS 45 1HE LYS 45 14.171 -9.511 2.343 346 2HE LYS 45 2HE LYS 45 13.153 -8.857 1.075 347 1HZ LYS 45 1HZ LYS 45 15.067 -7.096 2.375 348 2HZ LYS 45 2HZ LYS 45 15.608 -8.159 1.258 349 3HZ LYS 45 3HZ LYS 45 14.487 -7.045 0.849 350 H VAL 46 H VAL 46 8.771 -9.298 1.405 351 HA VAL 46 HA VAL 46 6.631 -10.059 3.265 352 HB VAL 46 HB VAL 46 6.299 -9.372 0.595 353 1HG1 VAL 46 1HG1 VAL 46 7.432 -11.631 0.127 354 2HG1 VAL 46 2HG1 VAL 46 5.941 -12.369 0.761 355 3HG1 VAL 46 3HG1 VAL 46 5.873 -11.312 -0.670 356 1HG2 VAL 46 1HG2 VAL 46 4.729 -10.477 2.801 357 2HG2 VAL 46 2HG2 VAL 46 4.297 -9.243 1.593 358 3HG2 VAL 46 3HG2 VAL 46 4.111 -10.970 1.206 359 HA PRO 47 HA PRO 47 8.765 -13.806 3.549 360 1HB PRO 47 1HB PRO 47 6.788 -15.660 3.901 361 2HB PRO 47 2HB PRO 47 7.356 -14.611 5.183 362 1HG PRO 47 1HG PRO 47 4.846 -14.447 3.633 363 2HG PRO 47 2HG PRO 47 5.238 -13.697 5.166 364 1HD PRO 47 1HD PRO 47 5.161 -12.419 2.600 365 2HD PRO 47 2HD PRO 47 5.665 -11.697 4.115 366 H ALA 48 H ALA 48 9.393 -15.899 2.651 367 HA ALA 48 HA ALA 48 9.673 -15.819 -0.026 368 1HB ALA 48 1HB ALA 48 9.761 -17.882 2.088 369 2HB ALA 48 2HB ALA 48 9.484 -18.527 0.452 370 3HB ALA 48 3HB ALA 48 10.920 -17.529 0.784 371 H GLY 49 H GLY 49 8.464 -16.219 -1.850 372 1HA GLY 49 1HA GLY 49 6.582 -17.763 -2.600 373 2HA GLY 49 2HA GLY 49 5.638 -16.926 -1.385 374 H GLU 50 H GLU 50 6.439 -14.271 -1.592 375 HA GLU 50 HA GLU 50 5.783 -13.695 -4.377 376 1HB GLU 50 1HB GLU 50 4.302 -13.067 -2.062 377 2HB GLU 50 2HB GLU 50 5.088 -11.561 -2.490 378 1HG GLU 50 1HG GLU 50 2.982 -11.623 -3.682 379 2HG GLU 50 2HG GLU 50 4.250 -11.861 -4.868 380 H SER 51 H SER 51 6.190 -10.936 -4.418 381 HA SER 51 HA SER 51 8.910 -10.636 -3.438 382 1HB SER 51 1HB SER 51 7.960 -10.616 -6.254 383 2HB SER 51 2HB SER 51 8.974 -9.250 -5.832 384 HG SER 51 HG SER 51 9.712 -11.829 -6.329 385 H ALA 52 H ALA 52 7.841 -9.336 -1.743 386 HA ALA 52 HA ALA 52 6.122 -7.234 -2.230 387 1HB ALA 52 1HB ALA 52 7.811 -8.247 -0.064 388 2HB ALA 52 2HB ALA 52 7.693 -6.471 -0.043 389 3HB ALA 52 3HB ALA 52 6.215 -7.463 0.011 390 HA PRO 53 HA PRO 53 9.971 -4.536 -2.750 391 1HB PRO 53 1HB PRO 53 12.447 -5.679 -2.935 392 2HB PRO 53 2HB PRO 53 11.794 -5.043 -1.438 393 1HG PRO 53 1HG PRO 53 12.093 -7.861 -2.281 394 2HG PRO 53 2HG PRO 53 11.852 -7.217 -0.669 395 1HD PRO 53 1HD PRO 53 9.881 -8.487 -2.322 396 2HD PRO 53 2HD PRO 53 9.615 -7.741 -0.760 397 H ALA 54 H ALA 54 8.340 -5.475 -4.643 398 HA ALA 54 HA ALA 54 9.986 -5.054 -6.954 399 1HB ALA 54 1HB ALA 54 10.017 -7.604 -6.275 400 2HB ALA 54 2HB ALA 54 8.381 -7.605 -6.977 401 3HB ALA 54 3HB ALA 54 9.778 -7.137 -7.977 402 H LEU 55 H LEU 55 6.800 -6.070 -5.578 403 HA LEU 55 HA LEU 55 5.314 -5.122 -7.779 404 1HB LEU 55 1HB LEU 55 4.760 -6.092 -5.025 405 2HB LEU 55 2HB LEU 55 3.513 -5.140 -5.806 406 HG LEU 55 HG LEU 55 4.746 -7.651 -6.973 407 1HD1 LEU 55 1HD1 LEU 55 2.797 -7.352 -4.900 408 2HD1 LEU 55 2HD1 LEU 55 2.002 -8.016 -6.347 409 3HD1 LEU 55 3HD1 LEU 55 3.420 -8.840 -5.654 410 1HD2 LEU 55 1HD2 LEU 55 3.306 -5.585 -8.222 411 2HD2 LEU 55 2HD2 LEU 55 3.700 -7.194 -8.875 412 3HD2 LEU 55 3HD2 LEU 55 2.158 -6.932 -8.025 413 H SER 56 H SER 56 7.024 -3.547 -5.221 414 HA SER 56 HA SER 56 5.438 -1.402 -4.685 415 1HB SER 56 1HB SER 56 7.808 -0.202 -4.501 416 2HB SER 56 2HB SER 56 7.343 -1.454 -3.368 417 HG SER 56 HG SER 56 8.745 -2.876 -4.266 418 H ASN 57 H ASN 57 5.307 0.777 -5.572 419 HA ASN 57 HA ASN 57 6.076 0.829 -8.383 420 1HB ASN 57 1HB ASN 57 3.952 2.658 -7.228 421 2HB ASN 57 2HB ASN 57 4.101 2.054 -8.866 422 1HD2 ASN 57 2HD2 ASN 57 1.720 1.965 -7.554 423 2HD2 ASN 57 1HD2 ASN 57 1.266 0.334 -7.187 424 H THR 58 H THR 58 7.848 2.198 -8.648 425 HA THR 58 HA THR 58 8.270 4.321 -6.698 426 HB THR 58 HB THR 58 10.166 2.857 -7.203 427 HG1 THR 58 HG1 THR 58 10.289 5.352 -7.189 428 1HG2 THR 58 1HG2 THR 58 9.523 3.602 -10.096 429 2HG2 THR 58 2HG2 THR 58 11.125 3.005 -9.600 430 3HG2 THR 58 3HG2 THR 58 9.690 1.969 -9.408 431 H LYS 59 H LYS 59 6.038 4.357 -8.758 432 HA LYS 59 HA LYS 59 6.929 6.749 -10.207 433 1HB LYS 59 1HB LYS 59 5.931 4.510 -11.306 434 2HB LYS 59 2HB LYS 59 4.420 5.328 -10.963 435 1HG LYS 59 1HG LYS 59 5.358 7.396 -12.122 436 2HG LYS 59 2HG LYS 59 6.756 6.444 -12.583 437 1HD LYS 59 1HD LYS 59 5.600 5.266 -14.190 438 2HD LYS 59 2HD LYS 59 4.142 5.168 -13.224 439 1HE LYS 59 1HE LYS 59 3.297 7.179 -14.027 440 2HE LYS 59 2HE LYS 59 4.882 7.903 -14.209 441 1HZ LYS 59 1HZ LYS 59 3.932 5.729 -15.936 442 2HZ LYS 59 2HZ LYS 59 3.730 7.308 -16.303 443 3HZ LYS 59 3HZ LYS 59 5.234 6.686 -16.170 444 H LEU 60 H LEU 60 6.686 7.915 -8.103 445 HA LEU 60 HA LEU 60 4.354 8.064 -6.677 446 1HB LEU 60 1HB LEU 60 5.212 10.521 -6.319 447 2HB LEU 60 2HB LEU 60 6.035 9.136 -5.632 448 HG LEU 60 HG LEU 60 7.025 9.820 -8.305 449 1HD1 LEU 60 1HD1 LEU 60 7.068 11.910 -6.126 450 2HD1 LEU 60 2HD1 LEU 60 8.296 11.844 -7.414 451 3HD1 LEU 60 3HD1 LEU 60 6.582 12.079 -7.830 452 1HD2 LEU 60 1HD2 LEU 60 8.316 9.438 -5.592 453 2HD2 LEU 60 2HD2 LEU 60 8.188 8.247 -6.909 454 3HD2 LEU 60 3HD2 LEU 60 9.205 9.694 -7.112 455 H ALA 61 H ALA 61 2.313 8.440 -7.338 456 HA ALA 61 HA ALA 61 1.861 9.826 -9.813 457 1HB ALA 61 1HB ALA 61 0.567 7.851 -8.312 458 2HB ALA 61 2HB ALA 61 -0.485 9.278 -8.151 459 3HB ALA 61 3HB ALA 61 -0.067 8.658 -9.766 460 H ILE 62 H ILE 62 1.991 12.014 -9.897 461 HA ILE 62 HA ILE 62 1.668 13.575 -7.535 462 HB ILE 62 HB ILE 62 2.035 14.300 -10.443 463 1HG1 ILE 62 1HG1 ILE 62 3.956 13.143 -9.604 464 2HG1 ILE 62 2HG1 ILE 62 4.346 14.849 -9.701 465 1HG2 ILE 62 1HG2 ILE 62 1.370 15.955 -8.123 466 2HG2 ILE 62 2HG2 ILE 62 2.864 16.464 -8.947 467 3HG2 ILE 62 3HG2 ILE 62 1.342 16.340 -9.860 468 1HD1 ILE 62 1HD1 ILE 62 3.600 14.965 -7.198 469 2HD1 ILE 62 2HD1 ILE 62 3.753 13.192 -7.230 470 3HD1 ILE 62 3HD1 ILE 62 5.169 14.214 -7.573 471 H ALA 63 H ALA 63 -0.215 13.103 -10.597 472 HA ALA 63 HA ALA 63 -2.335 14.772 -9.678 473 1HB ALA 63 1HB ALA 63 -1.504 14.041 -12.107 474 2HB ALA 63 2HB ALA 63 -2.683 12.732 -11.853 475 3HB ALA 63 3HB ALA 63 -3.212 14.431 -11.789 476 HA PRO 64 HA PRO 64 -4.420 11.765 -7.354 477 1HB PRO 64 1HB PRO 64 -6.836 13.008 -7.064 478 2HB PRO 64 2HB PRO 64 -5.443 13.376 -6.068 479 1HG PRO 64 1HG PRO 64 -6.605 14.949 -8.285 480 2HG PRO 64 2HG PRO 64 -5.507 15.475 -7.024 481 1HD PRO 64 1HD PRO 64 -4.838 14.908 -9.754 482 2HD PRO 64 2HD PRO 64 -3.724 15.321 -8.466 483 H GLY 65 H GLY 65 -5.806 9.988 -7.450 484 1HA GLY 65 1HA GLY 65 -7.888 9.737 -9.255 485 2HA GLY 65 2HA GLY 65 -6.445 9.235 -10.115 486 H SER 66 H SER 66 -5.750 7.144 -9.875 487 HA SER 66 HA SER 66 -5.964 5.811 -7.418 488 1HB SER 66 1HB SER 66 -7.729 4.620 -9.584 489 2HB SER 66 2HB SER 66 -7.627 4.150 -7.898 490 HG SER 66 HG SER 66 -8.804 6.535 -9.019 491 H PHE 67 H PHE 67 -3.916 4.941 -7.552 492 HA PHE 67 HA PHE 67 -2.406 4.491 -9.697 493 1HB PHE 67 1HB PHE 67 -2.832 3.021 -7.058 494 2HB PHE 67 2HB PHE 67 -1.631 2.399 -8.171 495 HD1 PHE 67 HD1 PHE 67 0.012 4.317 -9.111 496 HD2 PHE 67 HD2 PHE 67 -2.092 4.467 -5.429 497 HE1 PHE 67 HE1 PHE 67 1.689 5.956 -8.221 498 HE2 PHE 67 HE2 PHE 67 -0.413 6.107 -4.538 499 HZ PHE 67 HZ PHE 67 1.457 6.832 -5.944 500 H TYR 68 H TYR 68 -3.573 1.469 -8.162 501 HA TYR 68 HA TYR 68 -5.187 0.582 -10.251 502 1HB TYR 68 1HB TYR 68 -3.526 -0.940 -11.357 503 2HB TYR 68 2HB TYR 68 -2.971 0.717 -11.480 504 HD1 TYR 68 HD1 TYR 68 -2.598 -2.328 -9.333 505 HD2 TYR 68 HD2 TYR 68 -0.807 1.275 -10.787 506 HE1 TYR 68 HE1 TYR 68 -0.392 -2.977 -8.246 507 HE2 TYR 68 HE2 TYR 68 1.392 0.614 -9.696 508 HH TYR 68 HH TYR 68 1.658 -1.561 -7.354 509 H SER 69 H SER 69 -5.042 -2.080 -10.235 510 HA SER 69 HA SER 69 -4.941 -2.716 -7.389 511 1HB SER 69 1HB SER 69 -6.586 -4.428 -9.197 512 2HB SER 69 2HB SER 69 -6.917 -3.891 -7.563 513 HG SER 69 HG SER 69 -7.735 -1.963 -8.298 514 H VAL 70 H VAL 70 -4.422 -5.071 -6.905 515 HA VAL 70 HA VAL 70 -3.087 -6.494 -9.037 516 HB VAL 70 HB VAL 70 -1.097 -6.717 -7.314 517 1HG1 VAL 70 1HG1 VAL 70 -1.473 -4.388 -9.227 518 2HG1 VAL 70 2HG1 VAL 70 0.088 -4.914 -8.550 519 3HG1 VAL 70 3HG1 VAL 70 -0.831 -6.003 -9.616 520 1HG2 VAL 70 1HG2 VAL 70 -2.543 -4.931 -5.887 521 2HG2 VAL 70 2HG2 VAL 70 -0.768 -5.053 -5.807 522 3HG2 VAL 70 3HG2 VAL 70 -1.531 -3.818 -6.838 523 H THR 71 H THR 71 -2.979 -8.736 -8.630 524 HA THR 71 HA THR 71 -4.542 -9.553 -6.287 525 HB THR 71 HB THR 71 -3.968 -10.714 -9.046 526 HG1 THR 71 HG1 THR 71 -5.794 -9.271 -8.693 527 1HG2 THR 71 1HG2 THR 71 -4.395 -12.216 -6.579 528 2HG2 THR 71 2HG2 THR 71 -5.832 -12.345 -7.621 529 3HG2 THR 71 3HG2 THR 71 -4.237 -12.835 -8.241 530 H LEU 72 H LEU 72 -3.822 -11.041 -4.784 531 HA LEU 72 HA LEU 72 -0.950 -11.626 -4.993 532 1HB LEU 72 1HB LEU 72 -2.671 -11.039 -2.584 533 2HB LEU 72 2HB LEU 72 -1.055 -11.708 -2.478 534 HG LEU 72 HG LEU 72 -1.717 -9.050 -3.773 535 1HD1 LEU 72 1HD1 LEU 72 -1.969 -9.515 -1.127 536 2HD1 LEU 72 2HD1 LEU 72 -0.236 -9.122 -1.209 537 3HD1 LEU 72 3HD1 LEU 72 -1.441 -7.962 -1.816 538 1HD2 LEU 72 1HD2 LEU 72 0.911 -10.390 -3.093 539 2HD2 LEU 72 2HD2 LEU 72 0.296 -9.939 -4.702 540 3HD2 LEU 72 3HD2 LEU 72 0.748 -8.673 -3.536 541 H GLY 73 H GLY 73 -0.390 -13.643 -3.529 542 1HA GLY 73 1HA GLY 73 -2.504 -15.647 -3.534 543 2HA GLY 73 2HA GLY 73 -1.172 -15.923 -4.640 544 H THR 74 H THR 74 1.074 -15.037 -3.282 545 HA THR 74 HA THR 74 1.694 -17.150 -1.628 546 HB THR 74 HB THR 74 2.809 -14.386 -2.173 547 HG1 THR 74 HG1 THR 74 3.659 -15.854 -3.604 548 1HG2 THR 74 1HG2 THR 74 3.803 -16.393 -0.088 549 2HG2 THR 74 2HG2 THR 74 4.856 -15.170 -0.837 550 3HG2 THR 74 3HG2 THR 74 3.471 -14.662 0.160 551 HA PRO 75 HA PRO 75 -0.388 -16.153 2.028 552 1HB PRO 75 1HB PRO 75 0.414 -18.310 3.501 553 2HB PRO 75 2HB PRO 75 -0.944 -18.357 2.395 554 1HG PRO 75 1HG PRO 75 1.764 -19.491 2.054 555 2HG PRO 75 2HG PRO 75 0.295 -19.878 1.182 556 1HD PRO 75 1HD PRO 75 2.471 -18.263 0.244 557 2HD PRO 75 2HD PRO 75 0.953 -18.556 -0.580 558 H GLY 76 H GLY 76 -0.077 -15.000 3.889 559 1HA GLY 76 1HA GLY 76 1.754 -14.952 5.709 560 2HA GLY 76 2HA GLY 76 2.766 -14.420 4.381 561 H THR 77 H THR 77 2.774 -12.573 6.210 562 HA THR 77 HA THR 77 0.568 -10.715 5.638 563 HB THR 77 HB THR 77 2.604 -10.881 7.923 564 HG1 THR 77 HG1 THR 77 -0.245 -11.401 7.473 565 1HG2 THR 77 1HG2 THR 77 0.234 -9.013 7.400 566 2HG2 THR 77 2HG2 THR 77 0.985 -9.227 8.999 567 3HG2 THR 77 3HG2 THR 77 1.930 -8.536 7.657 568 H TYR 78 H TYR 78 0.895 -9.155 4.194 569 HA TYR 78 HA TYR 78 3.639 -8.566 3.437 570 1HB TYR 78 1HB TYR 78 0.814 -7.813 2.467 571 2HB TYR 78 2HB TYR 78 2.259 -7.205 1.684 572 HD1 TYR 78 HD1 TYR 78 0.916 -10.535 2.807 573 HD2 TYR 78 HD2 TYR 78 2.898 -8.296 -0.253 574 HE1 TYR 78 HE1 TYR 78 0.999 -12.606 1.336 575 HE2 TYR 78 HE2 TYR 78 2.975 -10.376 -1.714 576 HH TYR 78 HH TYR 78 2.008 -12.414 -1.991 577 H SER 79 H SER 79 4.696 -6.657 3.854 578 HA SER 79 HA SER 79 3.102 -4.655 5.256 579 1HB SER 79 1HB SER 79 5.510 -4.063 6.222 580 2HB SER 79 2HB SER 79 4.537 -5.328 6.948 581 HG SER 79 HG SER 79 6.321 -6.005 4.809 582 H PHE 80 H PHE 80 3.595 -2.406 4.785 583 HA PHE 80 HA PHE 80 5.590 -1.859 2.783 584 1HB PHE 80 1HB PHE 80 3.772 -0.780 1.318 585 2HB PHE 80 2HB PHE 80 3.683 -2.530 1.379 586 HD1 PHE 80 HD1 PHE 80 2.033 -3.567 3.059 587 HD2 PHE 80 HD2 PHE 80 1.916 0.514 1.900 588 HE1 PHE 80 HE1 PHE 80 -0.354 -3.418 3.822 589 HE2 PHE 80 HE2 PHE 80 -0.471 0.662 2.662 590 HZ PHE 80 HZ PHE 80 -1.577 -1.306 3.614 591 H TYR 81 H TYR 81 4.845 0.698 2.026 592 HA TYR 81 HA TYR 81 3.765 2.292 4.037 593 1HB TYR 81 1HB TYR 81 5.983 3.212 4.895 594 2HB TYR 81 2HB TYR 81 5.764 1.526 5.324 595 HD1 TYR 81 HD1 TYR 81 7.274 3.627 2.605 596 HD2 TYR 81 HD2 TYR 81 7.498 0.029 4.909 597 HE1 TYR 81 HE1 TYR 81 9.493 3.052 1.504 598 HE2 TYR 81 HE2 TYR 81 9.715 -0.534 3.800 599 HH TYR 81 HH TYR 81 10.767 0.933 1.028 600 H CYS 82 H CYS 82 4.447 4.693 3.704 601 HA CYS 82 HA CYS 82 4.578 5.068 0.839 602 1HB CYS 82 1HB CYS 82 3.114 6.274 2.841 603 2HB CYS 82 2HB CYS 82 4.369 7.457 2.527 604 H THR 83 H THR 83 6.159 6.559 -0.130 605 HA THR 83 HA THR 83 8.736 6.326 1.115 606 HB THR 83 HB THR 83 7.545 6.948 -1.527 607 HG1 THR 83 HG1 THR 83 8.956 5.108 -0.604 608 1HG2 THR 83 1HG2 THR 83 9.896 8.531 -0.437 609 2HG2 THR 83 2HG2 THR 83 9.915 7.989 -2.133 610 3HG2 THR 83 3HG2 THR 83 8.617 9.062 -1.556 611 HA PRO 84 HA PRO 84 8.226 10.982 1.469 612 1HB PRO 84 1HB PRO 84 5.851 12.186 0.854 613 2HB PRO 84 2HB PRO 84 7.185 12.066 -0.276 614 1HG PRO 84 1HG PRO 84 4.660 10.529 -0.220 615 2HG PRO 84 2HG PRO 84 5.791 10.734 -1.543 616 1HD PRO 84 1HD PRO 84 5.500 8.418 0.126 617 2HD PRO 84 2HD PRO 84 6.708 8.668 -1.120 618 H HIS 85 H HIS 85 5.093 9.509 2.123 619 HA HIS 85 HA HIS 85 5.035 10.870 4.664 620 1HB HIS 85 1HB HIS 85 3.078 8.842 3.560 621 2HB HIS 85 2HB HIS 85 2.818 9.955 4.888 622 HD2 HIS 85 HD2 HIS 85 3.325 12.832 3.740 623 HE1 HIS 85 HE1 HIS 85 1.161 11.688 0.259 624 HE2 HIS 85 HE2 HIS 85 2.048 13.651 1.693 625 H ARG 86 H ARG 86 7.320 9.376 4.611 626 HA ARG 86 HA ARG 86 6.743 6.791 5.675 627 1HB ARG 86 1HB ARG 86 9.202 6.534 5.760 628 2HB ARG 86 2HB ARG 86 8.725 7.184 4.203 629 1HG ARG 86 1HG ARG 86 9.228 9.509 5.066 630 2HG ARG 86 2HG ARG 86 9.797 8.800 6.564 631 1HD ARG 86 1HD ARG 86 11.467 7.434 5.186 632 2HD ARG 86 2HD ARG 86 10.975 8.358 3.780 633 HE ARG 86 HE ARG 86 11.776 9.995 6.094 634 1HH1 ARG 86 1HH1 ARG 86 12.815 8.428 3.120 635 2HH1 ARG 86 2HH1 ARG 86 14.212 9.435 2.927 636 1HH2 ARG 86 1HH2 ARG 86 13.617 11.324 5.839 637 2HH2 ARG 86 2HH2 ARG 86 14.670 11.093 4.484 638 H GLY 87 H GLY 87 7.321 10.060 6.816 639 1HA GLY 87 1HA GLY 87 7.918 9.120 9.540 640 2HA GLY 87 2HA GLY 87 8.160 10.738 8.913 641 H ALA 88 H ALA 88 5.412 10.512 7.472 642 HA ALA 88 HA ALA 88 3.930 11.778 9.508 643 1HB ALA 88 1HB ALA 88 3.882 11.713 6.777 644 2HB ALA 88 2HB ALA 88 2.494 10.666 7.158 645 3HB ALA 88 3HB ALA 88 2.551 12.332 7.782 646 H GLY 89 H GLY 89 4.636 8.485 8.882 647 1HA GLY 89 1HA GLY 89 3.982 6.688 10.130 648 2HA GLY 89 2HA GLY 89 2.724 7.647 10.885 649 H MET 90 H MET 90 3.512 6.745 7.445 650 HA MET 90 HA MET 90 0.720 5.929 7.222 651 1HB MET 90 1HB MET 90 1.422 7.846 5.760 652 2HB MET 90 2HB MET 90 2.721 6.876 5.095 653 1HG MET 90 1HG MET 90 1.302 5.646 3.742 654 2HG MET 90 2HG MET 90 0.008 5.632 4.924 655 1HE MET 90 1HE MET 90 -0.663 5.629 2.409 656 2HE MET 90 2HE MET 90 -1.960 6.848 2.381 657 3HE MET 90 3HE MET 90 -0.539 7.036 1.325 658 H VAL 91 H VAL 91 1.404 3.807 8.176 659 HA VAL 91 HA VAL 91 2.669 2.145 6.108 660 HB VAL 91 HB VAL 91 3.481 0.742 8.012 661 1HG1 VAL 91 1HG1 VAL 91 4.573 3.047 6.875 662 2HG1 VAL 91 2HG1 VAL 91 4.846 3.244 8.624 663 3HG1 VAL 91 3HG1 VAL 91 5.444 1.791 7.788 664 1HG2 VAL 91 1HG2 VAL 91 1.778 1.902 9.624 665 2HG2 VAL 91 2HG2 VAL 91 3.377 1.411 10.233 666 3HG2 VAL 91 3HG2 VAL 91 3.066 3.114 9.818 667 H GLY 92 H GLY 92 1.770 0.034 5.811 668 1HA GLY 92 1HA GLY 92 -0.716 -0.521 7.280 669 2HA GLY 92 2HA GLY 92 -0.767 -0.395 5.532 670 H THR 93 H THR 93 -1.580 -2.763 6.110 671 HA THR 93 HA THR 93 0.646 -4.503 5.474 672 HB THR 93 HB THR 93 -1.115 -5.295 7.813 673 HG1 THR 93 HG1 THR 93 -0.239 -3.407 8.658 674 1HG2 THR 93 1HG2 THR 93 1.745 -5.853 6.887 675 2HG2 THR 93 2HG2 THR 93 1.172 -6.275 8.519 676 3HG2 THR 93 3HG2 THR 93 0.422 -7.027 7.090 677 H ILE 94 H ILE 94 -0.100 -6.691 4.812 678 HA ILE 94 HA ILE 94 -2.926 -6.847 4.201 679 HB ILE 94 HB ILE 94 -0.788 -6.677 2.081 680 1HG1 ILE 94 1HG1 ILE 94 -3.336 -5.090 2.517 681 2HG1 ILE 94 2HG1 ILE 94 -1.715 -4.533 2.881 682 1HG2 ILE 94 1HG2 ILE 94 -3.075 -8.366 2.104 683 2HG2 ILE 94 2HG2 ILE 94 -3.388 -7.038 0.960 684 3HG2 ILE 94 3HG2 ILE 94 -1.935 -8.050 0.774 685 1HD1 ILE 94 1HD1 ILE 94 -2.399 -5.531 0.098 686 2HD1 ILE 94 2HD1 ILE 94 -2.766 -3.859 0.587 687 3HD1 ILE 94 3HD1 ILE 94 -1.084 -4.440 0.597 688 H THR 95 H THR 95 -3.529 -8.841 4.830 689 HA THR 95 HA THR 95 -1.464 -10.929 4.824 690 HB THR 95 HB THR 95 -4.166 -10.879 6.256 691 HG1 THR 95 HG1 THR 95 -1.462 -9.932 6.875 692 1HG2 THR 95 1HG2 THR 95 -1.591 -12.482 6.464 693 2HG2 THR 95 2HG2 THR 95 -2.595 -12.226 7.911 694 3HG2 THR 95 3HG2 THR 95 -3.271 -13.069 6.496 695 H VAL 96 H VAL 96 -1.814 -12.970 3.904 696 HA VAL 96 HA VAL 96 -4.167 -13.096 2.154 697 HB VAL 96 HB VAL 96 -1.260 -13.459 1.529 698 1HG1 VAL 96 1HG1 VAL 96 -3.445 -15.207 0.620 699 2HG1 VAL 96 2HG1 VAL 96 -2.503 -14.479 -0.703 700 3HG1 VAL 96 3HG1 VAL 96 -1.682 -15.439 0.551 701 1HG2 VAL 96 1HG2 VAL 96 -2.648 -11.360 1.019 702 2HG2 VAL 96 2HG2 VAL 96 -1.702 -12.061 -0.316 703 3HG2 VAL 96 3HG2 VAL 96 -3.458 -12.345 -0.224 704 H GLU 97 H GLU 97 -5.031 -14.283 4.083 705 HA GLU 97 HA GLU 97 -3.747 -16.752 4.694 706 1HB GLU 97 1HB GLU 97 -5.604 -17.066 6.275 707 2HB GLU 97 2HB GLU 97 -4.945 -15.450 6.429 708 1HG GLU 97 1HG GLU 97 -6.910 -14.480 5.808 709 2HG GLU 97 2HG GLU 97 -7.073 -15.523 4.409 Start of MODEL 7 1 H ALA 1 H ALA 1 -14.632 -10.311 -3.840 2 HA ALA 1 HA ALA 1 -12.998 -10.714 -1.972 3 1HB ALA 1 1HB ALA 1 -12.829 -13.162 -2.933 4 2HB ALA 1 2HB ALA 1 -11.590 -12.450 -3.994 5 3HB ALA 1 3HB ALA 1 -11.392 -12.385 -2.226 6 H SER 2 H SER 2 -12.460 -8.574 -2.213 7 HA SER 2 HA SER 2 -10.320 -7.931 -3.828 8 1HB SER 2 1HB SER 2 -13.044 -7.256 -4.965 9 2HB SER 2 2HB SER 2 -11.691 -6.183 -5.266 10 HG SER 2 HG SER 2 -11.976 -8.952 -6.022 11 H VAL 3 H VAL 3 -9.377 -6.557 -2.364 12 HA VAL 3 HA VAL 3 -11.150 -4.653 -1.001 13 HB VAL 3 HB VAL 3 -8.967 -4.591 0.504 14 1HG1 VAL 3 1HG1 VAL 3 -11.182 -6.658 0.563 15 2HG1 VAL 3 2HG1 VAL 3 -10.015 -6.442 1.890 16 3HG1 VAL 3 3HG1 VAL 3 -11.098 -5.106 1.430 17 1HG2 VAL 3 1HG2 VAL 3 -7.804 -6.214 -1.068 18 2HG2 VAL 3 2HG2 VAL 3 -7.791 -6.652 0.658 19 3HG2 VAL 3 3HG2 VAL 3 -8.917 -7.463 -0.458 20 H GLN 4 H GLN 4 -9.702 -2.617 -0.263 21 HA GLN 4 HA GLN 4 -7.942 -1.898 -2.443 22 1HB GLN 4 1HB GLN 4 -9.144 0.392 -2.517 23 2HB GLN 4 2HB GLN 4 -9.932 -0.956 -3.311 24 1HG GLN 4 1HG GLN 4 -11.101 -1.300 -0.944 25 2HG GLN 4 2HG GLN 4 -10.644 0.372 -0.684 26 1HE2 GLN 4 2HE2 GLN 4 -12.732 1.108 -0.668 27 2HE2 GLN 4 1HE2 GLN 4 -13.728 1.222 -2.080 28 H ILE 5 H ILE 5 -6.656 0.124 -1.924 29 HA ILE 5 HA ILE 5 -6.514 0.544 0.977 30 HB ILE 5 HB ILE 5 -4.366 -0.193 -0.963 31 1HG1 ILE 5 1HG1 ILE 5 -5.368 -1.895 0.515 32 2HG1 ILE 5 2HG1 ILE 5 -3.657 -1.663 0.814 33 1HG2 ILE 5 1HG2 ILE 5 -3.978 1.536 1.492 34 2HG2 ILE 5 2HG2 ILE 5 -2.673 0.647 0.671 35 3HG2 ILE 5 3HG2 ILE 5 -3.559 1.925 -0.192 36 1HD1 ILE 5 1HD1 ILE 5 -5.225 0.173 2.461 37 2HD1 ILE 5 2HD1 ILE 5 -5.745 -1.511 2.714 38 3HD1 ILE 5 3HD1 ILE 5 -4.042 -1.058 2.964 39 H LYS 6 H LYS 6 -7.125 2.594 1.388 40 HA LYS 6 HA LYS 6 -6.758 4.570 -0.711 41 1HB LYS 6 1HB LYS 6 -8.583 4.178 1.562 42 2HB LYS 6 2HB LYS 6 -8.016 5.827 1.400 43 1HG LYS 6 1HG LYS 6 -8.690 5.820 -1.013 44 2HG LYS 6 2HG LYS 6 -9.265 4.172 -0.846 45 1HD LYS 6 1HD LYS 6 -10.424 5.809 1.263 46 2HD LYS 6 2HD LYS 6 -10.692 6.588 -0.283 47 1HE LYS 6 1HE LYS 6 -11.246 3.907 -0.855 48 2HE LYS 6 2HE LYS 6 -11.846 4.076 0.783 49 1HZ LYS 6 1HZ LYS 6 -12.501 6.112 -1.195 50 2HZ LYS 6 2HZ LYS 6 -13.336 4.708 -1.179 51 3HZ LYS 6 3HZ LYS 6 -13.332 5.671 0.140 52 H MET 7 H MET 7 -5.353 6.301 -0.597 53 HA MET 7 HA MET 7 -3.531 6.181 1.670 54 1HB MET 7 1HB MET 7 -3.291 7.162 -1.215 55 2HB MET 7 2HB MET 7 -2.100 7.624 -0.014 56 1HG MET 7 1HG MET 7 -1.354 5.384 0.301 57 2HG MET 7 2HG MET 7 -2.823 4.695 -0.363 58 1HE MET 7 1HE MET 7 -3.373 4.365 -2.723 59 2HE MET 7 2HE MET 7 -2.060 4.066 -3.887 60 3HE MET 7 3HE MET 7 -2.084 3.203 -2.332 61 H GLY 8 H GLY 8 -4.400 7.550 3.230 62 1HA GLY 8 1HA GLY 8 -4.122 9.908 3.844 63 2HA GLY 8 2HA GLY 8 -4.939 10.325 2.351 64 H THR 9 H THR 9 -5.694 10.939 5.187 65 HA THR 9 HA THR 9 -8.290 9.544 5.238 66 HB THR 9 HB THR 9 -8.112 10.193 7.760 67 HG1 THR 9 HG1 THR 9 -5.307 10.249 6.944 68 1HG2 THR 9 1HG2 THR 9 -6.131 8.240 6.483 69 2HG2 THR 9 2HG2 THR 9 -6.387 8.364 8.239 70 3HG2 THR 9 3HG2 THR 9 -7.721 7.848 7.179 71 H ASP 10 H ASP 10 -10.166 10.773 5.819 72 HA ASP 10 HA ASP 10 -10.297 13.164 4.495 73 1HB ASP 10 1HB ASP 10 -12.259 11.752 5.059 74 2HB ASP 10 2HB ASP 10 -12.039 12.093 6.764 75 H LYS 11 H LYS 11 -9.002 12.369 7.615 76 HA LYS 11 HA LYS 11 -9.437 15.024 8.706 77 1HB LYS 11 1HB LYS 11 -8.687 12.361 9.752 78 2HB LYS 11 2HB LYS 11 -7.855 13.706 10.506 79 1HG LYS 11 1HG LYS 11 -9.727 14.343 11.626 80 2HG LYS 11 2HG LYS 11 -10.676 14.366 10.154 81 1HD LYS 11 1HD LYS 11 -10.508 11.678 10.469 82 2HD LYS 11 2HD LYS 11 -10.313 12.144 12.147 83 1HE LYS 11 1HE LYS 11 -12.559 13.337 10.489 84 2HE LYS 11 2HE LYS 11 -12.741 11.744 11.197 85 1HZ LYS 11 1HZ LYS 11 -11.816 13.138 13.256 86 2HZ LYS 11 2HZ LYS 11 -12.669 14.299 12.486 87 3HZ LYS 11 3HZ LYS 11 -13.406 12.917 12.951 88 H TYR 12 H TYR 12 -8.007 15.017 6.262 89 HA TYR 12 HA TYR 12 -6.011 15.468 5.330 90 1HB TYR 12 1HB TYR 12 -5.945 17.170 7.899 91 2HB TYR 12 2HB TYR 12 -5.087 17.561 6.422 92 HD1 TYR 12 HD1 TYR 12 -6.516 17.977 4.294 93 HD2 TYR 12 HD2 TYR 12 -8.121 17.981 8.259 94 HE1 TYR 12 HE1 TYR 12 -8.527 19.308 3.486 95 HE2 TYR 12 HE2 TYR 12 -10.126 19.312 7.439 96 HH TYR 12 HH TYR 12 -10.603 19.926 4.017 97 H ALA 13 H ALA 13 -5.588 13.075 6.539 98 HA ALA 13 HA ALA 13 -2.934 13.461 7.727 99 1HB ALA 13 1HB ALA 13 -5.184 12.570 9.115 100 2HB ALA 13 2HB ALA 13 -4.345 11.068 8.661 101 3HB ALA 13 3HB ALA 13 -3.488 12.320 9.591 102 HA PRO 14 HA PRO 14 -2.147 10.814 4.327 103 1HB PRO 14 1HB PRO 14 0.579 11.001 4.383 104 2HB PRO 14 2HB PRO 14 -0.443 12.152 3.546 105 1HG PRO 14 1HG PRO 14 0.992 12.472 6.110 106 2HG PRO 14 2HG PRO 14 0.331 13.709 5.061 107 1HD PRO 14 1HD PRO 14 -0.800 12.763 7.522 108 2HD PRO 14 2HD PRO 14 -1.517 13.916 6.413 109 H LEU 15 H LEU 15 -3.033 8.921 5.177 110 HA LEU 15 HA LEU 15 -0.927 7.157 6.103 111 1HB LEU 15 1HB LEU 15 -2.249 6.370 8.004 112 2HB LEU 15 2HB LEU 15 -1.713 8.030 8.179 113 HG LEU 15 HG LEU 15 -4.208 8.370 7.076 114 1HD1 LEU 15 1HD1 LEU 15 -4.133 5.690 8.136 115 2HD1 LEU 15 2HD1 LEU 15 -5.277 6.690 9.065 116 3HD1 LEU 15 3HD1 LEU 15 -5.451 6.546 7.299 117 1HD2 LEU 15 1HD2 LEU 15 -3.115 9.530 9.022 118 2HD2 LEU 15 2HD2 LEU 15 -4.857 9.214 9.206 119 3HD2 LEU 15 3HD2 LEU 15 -3.672 8.188 10.049 120 H TYR 16 H TYR 16 -1.504 4.877 5.854 121 HA TYR 16 HA TYR 16 -3.215 4.530 3.575 122 1HB TYR 16 1HB TYR 16 -1.343 2.933 5.378 123 2HB TYR 16 2HB TYR 16 -2.427 2.035 4.336 124 HD1 TYR 16 HD1 TYR 16 -2.426 2.929 1.778 125 HD2 TYR 16 HD2 TYR 16 0.784 3.376 4.571 126 HE1 TYR 16 HE1 TYR 16 -0.781 3.187 -0.143 127 HE2 TYR 16 HE2 TYR 16 2.418 3.631 2.640 128 HH TYR 16 HH TYR 16 2.694 3.527 0.492 129 H GLU 17 H GLU 17 -5.332 3.954 3.582 130 HA GLU 17 HA GLU 17 -6.296 2.642 5.997 131 1HB GLU 17 1HB GLU 17 -6.930 5.100 5.913 132 2HB GLU 17 2HB GLU 17 -7.837 4.770 4.451 133 1HG GLU 17 1HG GLU 17 -9.207 3.073 5.705 134 2HG GLU 17 2HG GLU 17 -8.322 3.458 7.168 135 HA PRO 18 HA PRO 18 -7.658 1.569 6.614 136 1HB PRO 18 1HB PRO 18 -7.935 -1.109 7.082 137 2HB PRO 18 2HB PRO 18 -9.298 -0.022 6.901 138 1HG PRO 18 1HG PRO 18 -8.242 -2.004 4.979 139 2HG PRO 18 2HG PRO 18 -9.813 -1.228 5.005 140 1HD PRO 18 1HD PRO 18 -7.613 -0.593 3.277 141 2HD PRO 18 2HD PRO 18 -9.142 0.257 3.382 142 H LYS 19 H LYS 19 -6.176 1.153 8.304 143 HA LYS 19 HA LYS 19 -3.558 0.970 7.349 144 1HB LYS 19 1HB LYS 19 -2.919 0.990 9.683 145 2HB LYS 19 2HB LYS 19 -4.216 2.137 9.412 146 1HG LYS 19 1HG LYS 19 -5.852 0.714 10.431 147 2HG LYS 19 2HG LYS 19 -4.826 -0.701 10.314 148 1HD LYS 19 1HD LYS 19 -4.210 1.728 12.061 149 2HD LYS 19 2HD LYS 19 -4.959 0.256 12.647 150 1HE LYS 19 1HE LYS 19 -2.515 -0.334 11.124 151 2HE LYS 19 2HE LYS 19 -2.185 0.776 12.439 152 1HZ LYS 19 1HZ LYS 19 -3.636 -0.895 13.748 153 2HZ LYS 19 2HZ LYS 19 -3.211 -1.936 12.565 154 3HZ LYS 19 3HZ LYS 19 -2.060 -1.221 13.476 155 H ALA 20 H ALA 20 -5.871 -1.459 8.594 156 HA ALA 20 HA ALA 20 -3.847 -3.505 7.988 157 1HB ALA 20 1HB ALA 20 -4.651 -3.136 10.436 158 2HB ALA 20 2HB ALA 20 -6.171 -3.882 9.889 159 3HB ALA 20 3HB ALA 20 -4.645 -4.794 9.789 160 H LEU 21 H LEU 21 -4.471 -5.238 6.670 161 HA LEU 21 HA LEU 21 -7.253 -5.365 5.857 162 1HB LEU 21 1HB LEU 21 -6.635 -3.885 4.210 163 2HB LEU 21 2HB LEU 21 -5.000 -4.504 4.097 164 HG LEU 21 HG LEU 21 -5.919 -6.578 3.021 165 1HD1 LEU 21 1HD1 LEU 21 -8.326 -5.839 3.994 166 2HD1 LEU 21 2HD1 LEU 21 -8.455 -5.215 2.332 167 3HD1 LEU 21 3HD1 LEU 21 -8.106 -6.938 2.611 168 1HD2 LEU 21 1HD2 LEU 21 -5.587 -3.947 1.924 169 2HD2 LEU 21 2HD2 LEU 21 -5.236 -5.531 1.190 170 3HD2 LEU 21 3HD2 LEU 21 -6.856 -4.811 1.023 171 H SER 22 H SER 22 -7.876 -7.445 5.176 172 HA SER 22 HA SER 22 -5.718 -9.398 5.206 173 1HB SER 22 1HB SER 22 -7.009 -9.349 7.393 174 2HB SER 22 2HB SER 22 -8.449 -9.803 6.503 175 HG SER 22 HG SER 22 -6.156 -11.422 6.079 176 H ILE 23 H ILE 23 -6.000 -11.176 3.749 177 HA ILE 23 HA ILE 23 -8.488 -11.379 2.305 178 HB ILE 23 HB ILE 23 -7.487 -11.066 0.114 179 1HG1 ILE 23 1HG1 ILE 23 -5.015 -9.985 1.483 180 2HG1 ILE 23 2HG1 ILE 23 -5.131 -11.636 0.905 181 1HG2 ILE 23 1HG2 ILE 23 -8.635 -9.199 1.262 182 2HG2 ILE 23 2HG2 ILE 23 -7.062 -8.640 1.878 183 3HG2 ILE 23 3HG2 ILE 23 -7.378 -8.653 0.127 184 1HD1 ILE 23 1HD1 ILE 23 -6.037 -10.251 -1.304 185 2HD1 ILE 23 2HD1 ILE 23 -4.847 -9.110 -0.632 186 3HD1 ILE 23 3HD1 ILE 23 -4.350 -10.764 -1.060 187 H SER 24 H SER 24 -7.824 -13.109 0.318 188 HA SER 24 HA SER 24 -6.358 -15.183 1.755 189 1HB SER 24 1HB SER 24 -8.688 -15.661 -0.147 190 2HB SER 24 2HB SER 24 -7.901 -16.845 0.877 191 HG SER 24 HG SER 24 -10.021 -15.854 1.634 192 H ALA 25 H ALA 25 -5.532 -16.964 0.168 193 HA ALA 25 HA ALA 25 -3.928 -15.722 -1.767 194 1HB ALA 25 1HB ALA 25 -4.650 -18.643 -1.296 195 2HB ALA 25 2HB ALA 25 -3.325 -18.074 -2.339 196 3HB ALA 25 3HB ALA 25 -3.275 -17.762 -0.587 197 H GLY 26 H GLY 26 -4.786 -14.726 -3.537 198 1HA GLY 26 1HA GLY 26 -5.511 -15.409 -5.805 199 2HA GLY 26 2HA GLY 26 -6.858 -16.219 -5.032 200 H ASP 27 H ASP 27 -6.485 -13.678 -3.007 201 HA ASP 27 HA ASP 27 -8.625 -12.279 -4.237 202 1HB ASP 27 1HB ASP 27 -7.022 -11.961 -1.677 203 2HB ASP 27 2HB ASP 27 -8.148 -10.710 -2.169 204 H THR 28 H THR 28 -8.379 -9.656 -4.072 205 HA THR 28 HA THR 28 -5.719 -8.925 -5.099 206 HB THR 28 HB THR 28 -8.426 -7.976 -6.172 207 HG1 THR 28 HG1 THR 28 -6.421 -9.973 -6.938 208 1HG2 THR 28 1HG2 THR 28 -6.307 -6.519 -6.534 209 2HG2 THR 28 2HG2 THR 28 -5.664 -7.887 -7.473 210 3HG2 THR 28 3HG2 THR 28 -7.147 -7.062 -8.007 211 H VAL 29 H VAL 29 -5.195 -6.611 -4.886 212 HA VAL 29 HA VAL 29 -6.761 -5.305 -2.790 213 HB VAL 29 HB VAL 29 -3.792 -5.860 -2.757 214 1HG1 VAL 29 1HG1 VAL 29 -5.000 -3.489 -1.937 215 2HG1 VAL 29 2HG1 VAL 29 -4.854 -4.437 -0.437 216 3HG1 VAL 29 3HG1 VAL 29 -3.410 -4.102 -1.423 217 1HG2 VAL 29 1HG2 VAL 29 -5.410 -7.614 -1.897 218 2HG2 VAL 29 2HG2 VAL 29 -4.194 -7.044 -0.730 219 3HG2 VAL 29 3HG2 VAL 29 -5.869 -6.452 -0.631 220 H GLU 30 H GLU 30 -7.450 -3.441 -3.701 221 HA GLU 30 HA GLU 30 -5.860 -2.310 -5.811 222 1HB GLU 30 1HB GLU 30 -8.361 -2.539 -5.984 223 2HB GLU 30 2HB GLU 30 -8.536 -1.391 -4.673 224 1HG GLU 30 1HG GLU 30 -7.609 0.407 -5.962 225 2HG GLU 30 2HG GLU 30 -6.922 -0.682 -7.149 226 H PHE 31 H PHE 31 -5.678 0.229 -5.798 227 HA PHE 31 HA PHE 31 -5.321 1.263 -3.109 228 1HB PHE 31 1HB PHE 31 -3.195 0.952 -5.305 229 2HB PHE 31 2HB PHE 31 -2.982 2.070 -3.972 230 HD1 PHE 31 HD1 PHE 31 -3.245 -1.489 -4.876 231 HD2 PHE 31 HD2 PHE 31 -2.379 1.293 -1.791 232 HE1 PHE 31 HE1 PHE 31 -2.283 -3.338 -3.480 233 HE2 PHE 31 HE2 PHE 31 -1.416 -0.557 -0.395 234 HZ PHE 31 HZ PHE 31 -1.380 -2.851 -1.255 235 H VAL 32 H VAL 32 -6.230 3.260 -3.053 236 HA VAL 32 HA VAL 32 -6.128 4.825 -5.539 237 HB VAL 32 HB VAL 32 -8.360 3.803 -5.033 238 1HG1 VAL 32 1HG1 VAL 32 -7.842 4.585 -2.428 239 2HG1 VAL 32 2HG1 VAL 32 -9.036 5.784 -2.980 240 3HG1 VAL 32 3HG1 VAL 32 -9.413 4.047 -3.067 241 1HG2 VAL 32 1HG2 VAL 32 -7.688 6.438 -5.840 242 2HG2 VAL 32 2HG2 VAL 32 -9.150 5.503 -6.239 243 3HG2 VAL 32 3HG2 VAL 32 -9.135 6.566 -4.811 244 H MET 33 H MET 33 -5.970 7.145 -5.247 245 HA MET 33 HA MET 33 -4.638 7.742 -2.748 246 1HB MET 33 1HB MET 33 -3.760 8.238 -5.195 247 2HB MET 33 2HB MET 33 -4.895 9.575 -5.178 248 1HG MET 33 1HG MET 33 -3.592 9.857 -2.718 249 2HG MET 33 2HG MET 33 -2.306 9.290 -3.764 250 1HE MET 33 1HE MET 33 -4.851 11.667 -2.833 251 2HE MET 33 2HE MET 33 -4.375 13.223 -3.553 252 3HE MET 33 3HE MET 33 -5.430 12.110 -4.456 253 H ASN 34 H ASN 34 -5.775 8.709 -1.128 254 HA ASN 34 HA ASN 34 -8.333 9.757 -1.652 255 1HB ASN 34 1HB ASN 34 -6.582 9.273 0.713 256 2HB ASN 34 2HB ASN 34 -7.649 10.650 0.902 257 1HD2 ASN 34 2HD2 ASN 34 -9.295 10.055 2.088 258 2HD2 ASN 34 1HD2 ASN 34 -10.274 8.641 1.886 259 H LYS 35 H LYS 35 -5.467 11.276 0.024 260 HA LYS 35 HA LYS 35 -5.391 13.505 -1.705 261 1HB LYS 35 1HB LYS 35 -6.044 15.053 0.394 262 2HB LYS 35 2HB LYS 35 -7.178 14.592 -0.859 263 1HG LYS 35 1HG LYS 35 -8.228 14.143 1.285 264 2HG LYS 35 2HG LYS 35 -7.859 12.600 0.543 265 1HD LYS 35 1HD LYS 35 -6.896 12.120 2.566 266 2HD LYS 35 2HD LYS 35 -5.531 13.016 1.928 267 1HE LYS 35 1HE LYS 35 -7.772 14.164 3.659 268 2HE LYS 35 2HE LYS 35 -6.131 13.840 4.184 269 1HZ LYS 35 1HZ LYS 35 -6.843 15.717 2.038 270 2HZ LYS 35 2HZ LYS 35 -6.488 16.147 3.573 271 3HZ LYS 35 3HZ LYS 35 -5.344 15.460 2.632 272 H VAL 36 H VAL 36 -4.233 15.393 0.046 273 HA VAL 36 HA VAL 36 -2.211 15.870 0.820 274 HB VAL 36 HB VAL 36 -3.407 14.933 2.801 275 1HG1 VAL 36 1HG1 VAL 36 -2.005 12.428 1.890 276 2HG1 VAL 36 2HG1 VAL 36 -2.344 12.693 3.617 277 3HG1 VAL 36 3HG1 VAL 36 -3.682 12.651 2.444 278 1HG2 VAL 36 1HG2 VAL 36 -0.984 15.948 2.697 279 2HG2 VAL 36 2HG2 VAL 36 -1.578 15.190 4.194 280 3HG2 VAL 36 3HG2 VAL 36 -0.488 14.291 3.113 281 H GLY 37 H GLY 37 -2.173 14.498 -1.653 282 1HA GLY 37 1HA GLY 37 -0.257 12.351 -1.531 283 2HA GLY 37 2HA GLY 37 -0.928 13.114 -2.958 284 HA PRO 38 HA PRO 38 0.424 12.417 -4.096 285 1HB PRO 38 1HB PRO 38 2.740 11.447 -5.175 286 2HB PRO 38 2HB PRO 38 1.823 12.755 -5.894 287 1HG PRO 38 1HG PRO 38 4.358 12.883 -4.379 288 2HG PRO 38 2HG PRO 38 3.658 14.080 -5.450 289 1HD PRO 38 1HD PRO 38 3.671 14.141 -2.582 290 2HD PRO 38 2HD PRO 38 2.872 15.277 -3.651 291 H HIS 39 H HIS 39 1.484 9.945 -4.558 292 HA HIS 39 HA HIS 39 2.324 8.988 -1.967 293 1HB HIS 39 1HB HIS 39 -0.273 8.098 -3.252 294 2HB HIS 39 2HB HIS 39 0.511 7.266 -1.925 295 HD2 HIS 39 HD2 HIS 39 -1.421 10.643 -2.572 296 HE1 HIS 39 HE1 HIS 39 -1.101 10.054 1.630 297 HE2 HIS 39 HE2 HIS 39 -2.073 11.517 -0.269 298 H ASN 40 H ASN 40 2.083 6.245 -2.413 299 HA ASN 40 HA ASN 40 2.811 5.544 -5.019 300 1HB ASN 40 1HB ASN 40 5.203 4.821 -4.425 301 2HB ASN 40 2HB ASN 40 4.972 6.551 -4.579 302 1HD2 ASN 40 2HD2 ASN 40 6.260 4.153 -2.728 303 2HD2 ASN 40 1HD2 ASN 40 6.412 4.953 -1.199 304 H VAL 41 H VAL 41 4.083 3.148 -4.703 305 HA VAL 41 HA VAL 41 2.834 1.836 -2.401 306 HB VAL 41 HB VAL 41 2.726 0.921 -5.282 307 1HG1 VAL 41 1HG1 VAL 41 2.661 -0.593 -2.859 308 2HG1 VAL 41 2HG1 VAL 41 1.028 -0.606 -3.567 309 3HG1 VAL 41 3HG1 VAL 41 2.420 -1.155 -4.530 310 1HG2 VAL 41 1HG2 VAL 41 0.692 2.130 -3.416 311 2HG2 VAL 41 2HG2 VAL 41 1.058 2.541 -5.108 312 3HG2 VAL 41 3HG2 VAL 41 0.187 1.036 -4.726 313 H ILE 42 H ILE 42 4.876 1.772 -1.352 314 HA ILE 42 HA ILE 42 6.805 0.021 -2.711 315 HB ILE 42 HB ILE 42 7.231 2.476 -1.031 316 1HG1 ILE 42 1HG1 ILE 42 8.505 1.676 -3.656 317 2HG1 ILE 42 2HG1 ILE 42 6.991 2.555 -3.569 318 1HG2 ILE 42 1HG2 ILE 42 9.177 0.220 -1.550 319 2HG2 ILE 42 2HG2 ILE 42 9.679 1.865 -1.091 320 3HG2 ILE 42 3HG2 ILE 42 8.668 0.902 0.013 321 1HD1 ILE 42 1HD1 ILE 42 8.226 4.249 -2.051 322 2HD1 ILE 42 2HD1 ILE 42 9.724 3.443 -2.574 323 3HD1 ILE 42 3HD1 ILE 42 8.675 4.237 -3.774 324 H PHE 43 H PHE 43 6.418 -1.968 -1.844 325 HA PHE 43 HA PHE 43 5.451 -2.299 0.781 326 1HB PHE 43 1HB PHE 43 6.874 -4.133 -1.239 327 2HB PHE 43 2HB PHE 43 6.086 -4.735 0.206 328 HD1 PHE 43 HD1 PHE 43 3.645 -4.721 0.389 329 HD2 PHE 43 HD2 PHE 43 5.581 -3.388 -3.143 330 HE1 PHE 43 HE1 PHE 43 1.474 -4.883 -0.860 331 HE2 PHE 43 HE2 PHE 43 3.410 -3.550 -4.393 332 HZ PHE 43 HZ PHE 43 1.383 -4.296 -3.237 333 H ASP 44 H ASP 44 6.555 -3.488 2.555 334 HA ASP 44 HA ASP 44 9.184 -2.421 2.868 335 1HB ASP 44 1HB ASP 44 7.123 -2.862 4.600 336 2HB ASP 44 2HB ASP 44 8.020 -4.344 4.860 337 H LYS 45 H LYS 45 7.519 -5.656 2.871 338 HA LYS 45 HA LYS 45 9.300 -7.045 1.410 339 1HB LYS 45 1HB LYS 45 10.508 -6.374 3.949 340 2HB LYS 45 2HB LYS 45 10.328 -8.112 3.817 341 1HG LYS 45 1HG LYS 45 11.262 -7.703 1.341 342 2HG LYS 45 2HG LYS 45 11.891 -6.227 2.045 343 1HD LYS 45 1HD LYS 45 13.502 -7.337 3.225 344 2HD LYS 45 2HD LYS 45 12.381 -8.569 3.771 345 1HE LYS 45 1HE LYS 45 12.667 -9.074 1.004 346 2HE LYS 45 2HE LYS 45 14.284 -8.652 1.532 347 1HZ LYS 45 1HZ LYS 45 12.657 -10.562 3.035 348 2HZ LYS 45 2HZ LYS 45 13.566 -11.037 1.764 349 3HZ LYS 45 3HZ LYS 45 14.277 -10.364 3.071 350 H VAL 46 H VAL 46 8.785 -9.315 1.350 351 HA VAL 46 HA VAL 46 6.588 -10.054 3.150 352 HB VAL 46 HB VAL 46 5.502 -11.154 1.234 353 1HG1 VAL 46 1HG1 VAL 46 5.906 -8.195 1.377 354 2HG1 VAL 46 2HG1 VAL 46 5.019 -8.853 -0.019 355 3HG1 VAL 46 3HG1 VAL 46 4.437 -9.165 1.634 356 1HG2 VAL 46 1HG2 VAL 46 7.980 -10.448 -0.092 357 2HG2 VAL 46 2HG2 VAL 46 6.679 -11.542 -0.622 358 3HG2 VAL 46 3HG2 VAL 46 6.580 -9.801 -0.982 359 HA PRO 47 HA PRO 47 8.800 -13.736 3.609 360 1HB PRO 47 1HB PRO 47 6.840 -15.564 4.144 361 2HB PRO 47 2HB PRO 47 7.453 -14.439 5.339 362 1HG PRO 47 1HG PRO 47 4.887 -14.368 3.872 363 2HG PRO 47 2HG PRO 47 5.335 -13.527 5.343 364 1HD PRO 47 1HD PRO 47 5.162 -12.405 2.709 365 2HD PRO 47 2HD PRO 47 5.721 -11.595 4.159 366 H ALA 48 H ALA 48 9.327 -15.939 2.850 367 HA ALA 48 HA ALA 48 9.626 -16.049 0.197 368 1HB ALA 48 1HB ALA 48 9.538 -17.973 2.418 369 2HB ALA 48 2HB ALA 48 9.135 -18.708 0.847 370 3HB ALA 48 3HB ALA 48 10.681 -17.851 1.058 371 H GLY 49 H GLY 49 8.427 -16.430 -1.637 372 1HA GLY 49 1HA GLY 49 6.413 -17.844 -2.335 373 2HA GLY 49 2HA GLY 49 5.536 -16.819 -1.217 374 H GLU 50 H GLU 50 6.060 -14.308 -1.543 375 HA GLU 50 HA GLU 50 5.710 -13.878 -4.393 376 1HB GLU 50 1HB GLU 50 4.289 -12.948 -2.155 377 2HB GLU 50 2HB GLU 50 5.233 -11.558 -2.650 378 1HG GLU 50 1HG GLU 50 3.991 -13.013 -4.921 379 2HG GLU 50 2HG GLU 50 2.823 -12.353 -3.793 380 H SER 51 H SER 51 6.382 -11.189 -4.657 381 HA SER 51 HA SER 51 9.147 -11.117 -3.743 382 1HB SER 51 1HB SER 51 8.069 -10.619 -6.543 383 2HB SER 51 2HB SER 51 9.620 -9.982 -6.031 384 HG SER 51 HG SER 51 8.820 -12.689 -6.457 385 H ALA 52 H ALA 52 8.211 -9.697 -2.035 386 HA ALA 52 HA ALA 52 6.714 -7.450 -2.479 387 1HB ALA 52 1HB ALA 52 8.474 -8.539 -0.402 388 2HB ALA 52 2HB ALA 52 8.479 -6.759 -0.430 389 3HB ALA 52 3HB ALA 52 6.945 -7.642 -0.243 390 HA PRO 53 HA PRO 53 10.742 -5.129 -3.357 391 1HB PRO 53 1HB PRO 53 13.079 -6.505 -3.700 392 2HB PRO 53 2HB PRO 53 12.608 -5.780 -2.175 393 1HG PRO 53 1HG PRO 53 12.577 -8.630 -2.961 394 2HG PRO 53 2HG PRO 53 12.526 -7.934 -1.354 395 1HD PRO 53 1HD PRO 53 10.322 -9.046 -2.815 396 2HD PRO 53 2HD PRO 53 10.249 -8.246 -1.257 397 H ALA 54 H ALA 54 8.885 -5.965 -5.091 398 HA ALA 54 HA ALA 54 10.385 -5.759 -7.533 399 1HB ALA 54 1HB ALA 54 10.414 -8.212 -7.046 400 2HB ALA 54 2HB ALA 54 8.634 -8.200 -7.036 401 3HB ALA 54 3HB ALA 54 9.518 -7.809 -8.530 402 H LEU 55 H LEU 55 7.219 -6.391 -5.899 403 HA LEU 55 HA LEU 55 5.704 -5.284 -8.019 404 1HB LEU 55 1HB LEU 55 5.215 -6.250 -5.251 405 2HB LEU 55 2HB LEU 55 4.028 -5.161 -5.941 406 HG LEU 55 HG LEU 55 4.921 -7.784 -7.170 407 1HD1 LEU 55 1HD1 LEU 55 3.607 -7.981 -5.046 408 2HD1 LEU 55 2HD1 LEU 55 2.269 -7.138 -5.862 409 3HD1 LEU 55 3HD1 LEU 55 2.834 -8.712 -6.474 410 1HD2 LEU 55 1HD2 LEU 55 2.897 -5.721 -8.051 411 2HD2 LEU 55 2HD2 LEU 55 4.289 -6.368 -8.953 412 3HD2 LEU 55 3HD2 LEU 55 2.879 -7.405 -8.627 413 H SER 56 H SER 56 7.394 -3.997 -5.178 414 HA SER 56 HA SER 56 6.132 -1.699 -4.706 415 1HB SER 56 1HB SER 56 9.146 -1.708 -5.042 416 2HB SER 56 2HB SER 56 8.190 -0.856 -3.845 417 HG SER 56 HG SER 56 9.388 -3.141 -3.456 418 H ASN 57 H ASN 57 6.889 0.635 -5.381 419 HA ASN 57 HA ASN 57 7.988 0.921 -7.943 420 1HB ASN 57 1HB ASN 57 5.258 0.276 -7.991 421 2HB ASN 57 2HB ASN 57 5.231 2.028 -8.058 422 1HD2 ASN 57 2HD2 ASN 57 4.397 1.858 -10.170 423 2HD2 ASN 57 1HD2 ASN 57 5.415 1.544 -11.537 424 H THR 58 H THR 58 9.161 2.781 -7.433 425 HA THR 58 HA THR 58 7.991 4.709 -5.591 426 HB THR 58 HB THR 58 10.342 3.838 -5.315 427 HG1 THR 58 HG1 THR 58 10.668 5.910 -4.601 428 1HG2 THR 58 1HG2 THR 58 10.594 5.093 -8.072 429 2HG2 THR 58 2HG2 THR 58 11.980 5.124 -6.955 430 3HG2 THR 58 3HG2 THR 58 11.291 3.568 -7.477 431 H LYS 59 H LYS 59 6.598 4.488 -8.059 432 HA LYS 59 HA LYS 59 7.495 6.859 -9.511 433 1HB LYS 59 1HB LYS 59 7.112 4.876 -10.861 434 2HB LYS 59 2HB LYS 59 5.494 4.693 -10.212 435 1HG LYS 59 1HG LYS 59 4.841 6.896 -11.180 436 2HG LYS 59 2HG LYS 59 6.465 7.117 -11.799 437 1HD LYS 59 1HD LYS 59 5.809 4.602 -12.796 438 2HD LYS 59 2HD LYS 59 4.263 5.425 -12.845 439 1HE LYS 59 1HE LYS 59 5.242 7.282 -14.151 440 2HE LYS 59 2HE LYS 59 6.841 6.578 -14.013 441 1HZ LYS 59 1HZ LYS 59 5.594 4.550 -15.051 442 2HZ LYS 59 2HZ LYS 59 4.607 5.714 -15.631 443 3HZ LYS 59 3HZ LYS 59 6.201 5.742 -15.987 444 H LEU 60 H LEU 60 6.896 8.151 -7.522 445 HA LEU 60 HA LEU 60 4.397 8.320 -6.465 446 1HB LEU 60 1HB LEU 60 5.976 10.803 -7.024 447 2HB LEU 60 2HB LEU 60 5.023 10.382 -5.614 448 HG LEU 60 HG LEU 60 6.991 8.441 -5.597 449 1HD1 LEU 60 1HD1 LEU 60 8.046 10.913 -6.900 450 2HD1 LEU 60 2HD1 LEU 60 9.068 10.083 -5.702 451 3HD1 LEU 60 3HD1 LEU 60 8.490 9.206 -7.139 452 1HD2 LEU 60 1HD2 LEU 60 6.240 10.800 -4.059 453 2HD2 LEU 60 2HD2 LEU 60 6.789 9.196 -3.513 454 3HD2 LEU 60 3HD2 LEU 60 7.980 10.443 -3.952 455 H ALA 61 H ALA 61 2.482 8.350 -7.519 456 HA ALA 61 HA ALA 61 2.337 9.897 -9.997 457 1HB ALA 61 1HB ALA 61 1.577 7.359 -9.522 458 2HB ALA 61 2HB ALA 61 0.082 8.187 -9.025 459 3HB ALA 61 3HB ALA 61 0.718 8.412 -10.673 460 H ILE 62 H ILE 62 1.834 12.010 -9.641 461 HA ILE 62 HA ILE 62 0.429 12.832 -7.326 462 HB ILE 62 HB ILE 62 2.125 14.182 -8.457 463 1HG1 ILE 62 1HG1 ILE 62 0.719 16.336 -8.558 464 2HG1 ILE 62 2HG1 ILE 62 -0.655 15.325 -8.156 465 1HG2 ILE 62 1HG2 ILE 62 1.217 13.446 -10.795 466 2HG2 ILE 62 2HG2 ILE 62 0.177 14.882 -10.628 467 3HG2 ILE 62 3HG2 ILE 62 1.948 15.055 -10.582 468 1HD1 ILE 62 1HD1 ILE 62 0.784 14.438 -6.181 469 2HD1 ILE 62 2HD1 ILE 62 1.849 15.825 -6.509 470 3HD1 ILE 62 3HD1 ILE 62 0.151 16.095 -6.051 471 H ALA 63 H ALA 63 -0.446 12.437 -10.815 472 HA ALA 63 HA ALA 63 -2.923 13.442 -10.892 473 1HB ALA 63 1HB ALA 63 -1.381 11.527 -12.335 474 2HB ALA 63 2HB ALA 63 -3.004 10.830 -12.110 475 3HB ALA 63 3HB ALA 63 -2.817 12.421 -12.888 476 HA PRO 64 HA PRO 64 -4.734 11.126 -7.578 477 1HB PRO 64 1HB PRO 64 -6.658 12.959 -6.942 478 2HB PRO 64 2HB PRO 64 -5.058 12.963 -6.228 479 1HG PRO 64 1HG PRO 64 -6.168 14.760 -8.295 480 2HG PRO 64 2HG PRO 64 -4.761 14.995 -7.277 481 1HD PRO 64 1HD PRO 64 -4.771 14.245 -10.046 482 2HD PRO 64 2HD PRO 64 -3.372 14.366 -8.998 483 H GLY 65 H GLY 65 -6.164 9.496 -7.671 484 1HA GLY 65 1HA GLY 65 -8.713 9.731 -8.729 485 2HA GLY 65 2HA GLY 65 -7.681 9.244 -10.059 486 H SER 66 H SER 66 -6.299 7.262 -9.773 487 HA SER 66 HA SER 66 -6.774 5.586 -7.578 488 1HB SER 66 1HB SER 66 -8.052 4.626 -10.169 489 2HB SER 66 2HB SER 66 -8.109 3.842 -8.602 490 HG SER 66 HG SER 66 -9.975 5.367 -9.494 491 H PHE 67 H PHE 67 -4.536 5.234 -7.537 492 HA PHE 67 HA PHE 67 -2.809 5.051 -9.579 493 1HB PHE 67 1HB PHE 67 -3.143 3.829 -6.842 494 2HB PHE 67 2HB PHE 67 -1.915 3.074 -7.839 495 HD1 PHE 67 HD1 PHE 67 -2.986 6.382 -6.520 496 HD2 PHE 67 HD2 PHE 67 0.216 4.014 -7.986 497 HE1 PHE 67 HE1 PHE 67 -1.361 8.185 -5.883 498 HE2 PHE 67 HE2 PHE 67 1.842 5.817 -7.348 499 HZ PHE 67 HZ PHE 67 1.034 7.882 -6.304 500 H TYR 68 H TYR 68 -3.564 1.929 -7.965 501 HA TYR 68 HA TYR 68 -4.765 0.697 -10.171 502 1HB TYR 68 1HB TYR 68 -2.680 -0.693 -10.777 503 2HB TYR 68 2HB TYR 68 -2.548 0.994 -11.230 504 HD1 TYR 68 HD1 TYR 68 -1.732 -1.278 -8.356 505 HD2 TYR 68 HD2 TYR 68 -0.622 2.162 -10.645 506 HE1 TYR 68 HE1 TYR 68 0.427 -1.083 -7.029 507 HE2 TYR 68 HE2 TYR 68 1.534 2.344 -9.311 508 HH TYR 68 HH TYR 68 2.561 -0.173 -7.193 509 H SER 69 H SER 69 -4.375 -1.880 -9.938 510 HA SER 69 HA SER 69 -4.314 -2.386 -7.066 511 1HB SER 69 1HB SER 69 -6.610 -2.591 -7.646 512 2HB SER 69 2HB SER 69 -6.253 -3.351 -9.184 513 HG SER 69 HG SER 69 -6.864 -4.586 -6.917 514 H VAL 70 H VAL 70 -4.292 -5.086 -6.900 515 HA VAL 70 HA VAL 70 -2.710 -6.323 -8.912 516 HB VAL 70 HB VAL 70 -0.800 -6.737 -7.235 517 1HG1 VAL 70 1HG1 VAL 70 -0.942 -5.220 -9.398 518 2HG1 VAL 70 2HG1 VAL 70 -0.770 -3.904 -8.215 519 3HG1 VAL 70 3HG1 VAL 70 0.480 -5.167 -8.329 520 1HG2 VAL 70 1HG2 VAL 70 -2.147 -4.325 -6.013 521 2HG2 VAL 70 2HG2 VAL 70 -1.580 -5.815 -5.221 522 3HG2 VAL 70 3HG2 VAL 70 -0.403 -4.621 -5.818 523 H THR 71 H THR 71 -2.833 -8.564 -8.720 524 HA THR 71 HA THR 71 -4.517 -9.482 -6.507 525 HB THR 71 HB THR 71 -3.790 -10.623 -9.255 526 HG1 THR 71 HG1 THR 71 -5.340 -8.860 -9.187 527 1HG2 THR 71 1HG2 THR 71 -4.734 -12.027 -6.931 528 2HG2 THR 71 2HG2 THR 71 -6.137 -11.785 -7.999 529 3HG2 THR 71 3HG2 THR 71 -4.689 -12.620 -8.609 530 H LEU 72 H LEU 72 -3.642 -10.425 -4.785 531 HA LEU 72 HA LEU 72 -0.937 -11.489 -5.091 532 1HB LEU 72 1HB LEU 72 -2.539 -10.699 -2.655 533 2HB LEU 72 2HB LEU 72 -0.947 -11.431 -2.598 534 HG LEU 72 HG LEU 72 -0.986 -8.949 -2.296 535 1HD1 LEU 72 1HD1 LEU 72 0.860 -10.532 -3.557 536 2HD1 LEU 72 2HD1 LEU 72 0.627 -9.220 -4.736 537 3HD1 LEU 72 3HD1 LEU 72 1.112 -8.839 -3.067 538 1HD2 LEU 72 1HD2 LEU 72 -2.806 -8.746 -4.170 539 2HD2 LEU 72 2HD2 LEU 72 -1.604 -7.455 -3.933 540 3HD2 LEU 72 3HD2 LEU 72 -1.395 -8.634 -5.249 541 H GLY 73 H GLY 73 -0.566 -13.471 -3.483 542 1HA GLY 73 1HA GLY 73 -2.849 -15.269 -3.388 543 2HA GLY 73 2HA GLY 73 -1.575 -15.720 -4.503 544 H THR 74 H THR 74 0.795 -15.292 -3.389 545 HA THR 74 HA THR 74 1.268 -17.274 -1.642 546 HB THR 74 HB THR 74 2.569 -14.601 -2.218 547 HG1 THR 74 HG1 THR 74 3.105 -16.239 -3.668 548 1HG2 THR 74 1HG2 THR 74 3.024 -15.189 0.249 549 2HG2 THR 74 2HG2 THR 74 3.744 -16.708 -0.338 550 3HG2 THR 74 3HG2 THR 74 4.464 -15.146 -0.795 551 HA PRO 75 HA PRO 75 -0.632 -16.165 2.067 552 1HB PRO 75 1HB PRO 75 0.230 -18.264 3.591 553 2HB PRO 75 2HB PRO 75 -1.158 -18.360 2.526 554 1HG PRO 75 1HG PRO 75 1.549 -19.483 2.146 555 2HG PRO 75 2HG PRO 75 0.058 -19.911 1.330 556 1HD PRO 75 1HD PRO 75 2.194 -18.313 0.275 557 2HD PRO 75 2HD PRO 75 0.655 -18.645 -0.494 558 H GLY 76 H GLY 76 -0.282 -15.099 4.018 559 1HA GLY 76 1HA GLY 76 1.591 -14.930 5.730 560 2HA GLY 76 2HA GLY 76 2.572 -14.435 4.366 561 H THR 77 H THR 77 2.613 -12.539 6.152 562 HA THR 77 HA THR 77 0.424 -10.680 5.504 563 HB THR 77 HB THR 77 2.275 -11.022 7.911 564 HG1 THR 77 HG1 THR 77 0.140 -11.305 8.850 565 1HG2 THR 77 1HG2 THR 77 1.514 -8.521 6.975 566 2HG2 THR 77 2HG2 THR 77 0.122 -8.963 7.992 567 3HG2 THR 77 3HG2 THR 77 1.757 -8.914 8.693 568 H TYR 78 H TYR 78 0.834 -9.126 4.077 569 HA TYR 78 HA TYR 78 3.627 -8.563 3.467 570 1HB TYR 78 1HB TYR 78 0.867 -7.865 2.292 571 2HB TYR 78 2HB TYR 78 2.351 -7.241 1.600 572 HD1 TYR 78 HD1 TYR 78 1.032 -10.589 2.703 573 HD2 TYR 78 HD2 TYR 78 3.107 -8.342 -0.288 574 HE1 TYR 78 HE1 TYR 78 1.254 -12.680 1.277 575 HE2 TYR 78 HE2 TYR 78 3.323 -10.441 -1.705 576 HH TYR 78 HH TYR 78 2.049 -12.589 -1.942 577 H SER 79 H SER 79 4.649 -6.649 3.930 578 HA SER 79 HA SER 79 2.963 -4.635 5.199 579 1HB SER 79 1HB SER 79 5.272 -3.967 6.279 580 2HB SER 79 2HB SER 79 4.362 -5.311 6.939 581 HG SER 79 HG SER 79 6.298 -5.779 4.868 582 H PHE 80 H PHE 80 3.468 -2.377 4.732 583 HA PHE 80 HA PHE 80 5.478 -1.875 2.720 584 1HB PHE 80 1HB PHE 80 3.636 -0.700 1.328 585 2HB PHE 80 2HB PHE 80 3.552 -2.451 1.324 586 HD1 PHE 80 HD1 PHE 80 1.963 -3.538 3.060 587 HD2 PHE 80 HD2 PHE 80 1.766 0.547 1.933 588 HE1 PHE 80 HE1 PHE 80 -0.408 -3.427 3.877 589 HE2 PHE 80 HE2 PHE 80 -0.605 0.659 2.749 590 HZ PHE 80 HZ PHE 80 -1.663 -1.330 3.712 591 H TYR 81 H TYR 81 4.949 0.694 2.012 592 HA TYR 81 HA TYR 81 3.948 2.297 4.109 593 1HB TYR 81 1HB TYR 81 6.217 3.159 4.821 594 2HB TYR 81 2HB TYR 81 6.064 1.450 5.176 595 HD1 TYR 81 HD1 TYR 81 7.395 3.805 2.591 596 HD2 TYR 81 HD2 TYR 81 7.669 -0.071 4.384 597 HE1 TYR 81 HE1 TYR 81 9.512 3.333 1.265 598 HE2 TYR 81 HE2 TYR 81 9.785 -0.529 3.051 599 HH TYR 81 HH TYR 81 10.825 1.623 0.525 600 H CYS 82 H CYS 82 4.465 4.672 3.706 601 HA CYS 82 HA CYS 82 4.447 5.063 0.847 602 1HB CYS 82 1HB CYS 82 3.001 6.189 2.837 603 2HB CYS 82 2HB CYS 82 4.272 7.386 2.679 604 H THR 83 H THR 83 5.941 6.577 -0.215 605 HA THR 83 HA THR 83 8.585 6.429 0.916 606 HB THR 83 HB THR 83 7.283 6.804 -1.692 607 HG1 THR 83 HG1 THR 83 9.973 6.259 -0.644 608 1HG2 THR 83 1HG2 THR 83 8.226 9.160 -1.363 609 2HG2 THR 83 2HG2 THR 83 9.826 8.413 -1.134 610 3HG2 THR 83 3HG2 THR 83 8.983 8.250 -2.693 611 HA PRO 84 HA PRO 84 7.926 11.080 1.097 612 1HB PRO 84 1HB PRO 84 5.457 12.156 0.631 613 2HB PRO 84 2HB PRO 84 6.701 12.044 -0.598 614 1HG PRO 84 1HG PRO 84 4.261 10.408 -0.277 615 2HG PRO 84 2HG PRO 84 5.274 10.602 -1.694 616 1HD PRO 84 1HD PRO 84 5.220 8.350 0.081 617 2HD PRO 84 2HD PRO 84 6.312 8.596 -1.267 618 H HIS 85 H HIS 85 4.914 9.521 2.057 619 HA HIS 85 HA HIS 85 5.057 10.956 4.564 620 1HB HIS 85 1HB HIS 85 2.991 8.940 3.654 621 2HB HIS 85 2HB HIS 85 2.855 10.074 4.983 622 HD2 HIS 85 HD2 HIS 85 3.067 12.930 3.912 623 HE1 HIS 85 HE1 HIS 85 1.013 11.769 0.369 624 HE2 HIS 85 HE2 HIS 85 1.748 13.733 1.885 625 H ARG 86 H ARG 86 7.312 9.451 4.374 626 HA ARG 86 HA ARG 86 6.816 6.871 5.470 627 1HB ARG 86 1HB ARG 86 9.261 6.614 5.400 628 2HB ARG 86 2HB ARG 86 8.722 7.332 3.896 629 1HG ARG 86 1HG ARG 86 9.207 9.634 5.013 630 2HG ARG 86 2HG ARG 86 10.056 8.727 6.250 631 1HD ARG 86 1HD ARG 86 11.727 7.973 4.749 632 2HD ARG 86 2HD ARG 86 10.712 8.203 3.339 633 HE ARG 86 HE ARG 86 10.967 10.771 4.312 634 1HH1 ARG 86 1HH1 ARG 86 13.297 8.255 3.520 635 2HH1 ARG 86 2HH1 ARG 86 14.551 9.373 3.098 636 1HH2 ARG 86 1HH2 ARG 86 12.621 12.245 3.754 637 2HH2 ARG 86 2HH2 ARG 86 14.165 11.658 3.232 638 H GLY 87 H GLY 87 7.684 10.139 6.570 639 1HA GLY 87 1HA GLY 87 8.293 9.171 9.271 640 2HA GLY 87 2HA GLY 87 8.571 10.780 8.634 641 H ALA 88 H ALA 88 5.736 10.617 7.321 642 HA ALA 88 HA ALA 88 4.403 11.966 9.409 643 1HB ALA 88 1HB ALA 88 4.174 12.242 6.866 644 2HB ALA 88 2HB ALA 88 3.148 10.788 6.909 645 3HB ALA 88 3HB ALA 88 2.664 12.247 7.808 646 H GLY 89 H GLY 89 4.948 8.636 8.766 647 1HA GLY 89 1HA GLY 89 4.306 6.878 10.078 648 2HA GLY 89 2HA GLY 89 3.126 7.889 10.888 649 H MET 90 H MET 90 3.747 6.717 7.493 650 HA MET 90 HA MET 90 0.905 6.050 7.414 651 1HB MET 90 1HB MET 90 1.505 7.938 5.893 652 2HB MET 90 2HB MET 90 2.793 6.985 5.181 653 1HG MET 90 1HG MET 90 1.335 5.697 3.914 654 2HG MET 90 2HG MET 90 0.076 5.721 5.133 655 1HE MET 90 1HE MET 90 -0.079 5.907 2.134 656 2HE MET 90 2HE MET 90 -1.706 6.349 2.706 657 3HE MET 90 3HE MET 90 -0.861 7.390 1.536 658 H VAL 91 H VAL 91 1.430 3.896 8.249 659 HA VAL 91 HA VAL 91 2.857 2.249 6.276 660 HB VAL 91 HB VAL 91 2.367 1.313 9.059 661 1HG1 VAL 91 1HG1 VAL 91 4.405 0.921 6.890 662 2HG1 VAL 91 2HG1 VAL 91 4.858 0.599 8.580 663 3HG1 VAL 91 3HG1 VAL 91 3.503 -0.285 7.838 664 1HG2 VAL 91 1HG2 VAL 91 4.225 3.572 8.324 665 2HG2 VAL 91 2HG2 VAL 91 3.117 3.428 9.709 666 3HG2 VAL 91 3HG2 VAL 91 4.613 2.465 9.662 667 H GLY 92 H GLY 92 2.006 -0.208 6.592 668 1HA GLY 92 1HA GLY 92 -0.768 -0.492 7.185 669 2HA GLY 92 2HA GLY 92 -0.502 -0.340 5.459 670 H THR 93 H THR 93 -1.550 -2.699 6.093 671 HA THR 93 HA THR 93 0.612 -4.536 5.564 672 HB THR 93 HB THR 93 -1.175 -5.186 7.929 673 HG1 THR 93 HG1 THR 93 0.765 -4.198 9.121 674 1HG2 THR 93 1HG2 THR 93 0.679 -6.722 6.733 675 2HG2 THR 93 2HG2 THR 93 1.794 -5.721 7.696 676 3HG2 THR 93 3HG2 THR 93 0.539 -6.688 8.508 677 H ILE 94 H ILE 94 -0.222 -6.732 5.003 678 HA ILE 94 HA ILE 94 -3.042 -6.844 4.418 679 HB ILE 94 HB ILE 94 -0.959 -6.678 2.245 680 1HG1 ILE 94 1HG1 ILE 94 -3.478 -5.091 2.821 681 2HG1 ILE 94 2HG1 ILE 94 -1.827 -4.529 2.988 682 1HG2 ILE 94 1HG2 ILE 94 -3.821 -7.656 2.053 683 2HG2 ILE 94 2HG2 ILE 94 -2.774 -7.258 0.669 684 3HG2 ILE 94 3HG2 ILE 94 -2.341 -8.600 1.756 685 1HD1 ILE 94 1HD1 ILE 94 -1.495 -5.018 0.503 686 2HD1 ILE 94 2HD1 ILE 94 -3.247 -5.318 0.409 687 3HD1 ILE 94 3HD1 ILE 94 -2.644 -3.707 0.867 688 H THR 95 H THR 95 -3.699 -8.865 4.911 689 HA THR 95 HA THR 95 -1.629 -10.952 4.942 690 HB THR 95 HB THR 95 -4.313 -10.715 6.404 691 HG1 THR 95 HG1 THR 95 -2.364 -9.255 6.891 692 1HG2 THR 95 1HG2 THR 95 -3.433 -13.093 6.068 693 2HG2 THR 95 2HG2 THR 95 -1.942 -12.589 6.899 694 3HG2 THR 95 3HG2 THR 95 -3.495 -12.576 7.770 695 H VAL 96 H VAL 96 -1.991 -12.993 4.016 696 HA VAL 96 HA VAL 96 -4.317 -13.079 2.226 697 HB VAL 96 HB VAL 96 -1.406 -13.505 1.660 698 1HG1 VAL 96 1HG1 VAL 96 -3.602 -15.213 0.721 699 2HG1 VAL 96 2HG1 VAL 96 -2.660 -14.480 -0.600 700 3HG1 VAL 96 3HG1 VAL 96 -1.842 -15.459 0.641 701 1HG2 VAL 96 1HG2 VAL 96 -2.754 -11.373 1.131 702 2HG2 VAL 96 2HG2 VAL 96 -1.767 -12.078 -0.172 703 3HG2 VAL 96 3HG2 VAL 96 -3.527 -12.339 -0.149 704 H GLU 97 H GLU 97 -5.233 -14.245 4.150 705 HA GLU 97 HA GLU 97 -4.012 -16.750 4.759 706 1HB GLU 97 1HB GLU 97 -5.884 -14.995 6.006 707 2HB GLU 97 2HB GLU 97 -6.733 -16.505 5.747 708 1HG GLU 97 1HG GLU 97 -5.026 -17.769 6.942 709 2HG GLU 97 2HG GLU 97 -3.953 -16.384 6.996 Start of MODEL 8 1 H ALA 1 H ALA 1 -11.661 -10.885 0.466 2 HA ALA 1 HA ALA 1 -11.639 -10.975 -1.797 3 1HB ALA 1 1HB ALA 1 -13.730 -12.100 -0.796 4 2HB ALA 1 2HB ALA 1 -14.635 -10.696 -1.412 5 3HB ALA 1 3HB ALA 1 -13.754 -11.752 -2.541 6 H SER 2 H SER 2 -10.788 -9.336 -2.998 7 HA SER 2 HA SER 2 -10.681 -7.547 -4.222 8 1HB SER 2 1HB SER 2 -13.717 -7.416 -3.951 9 2HB SER 2 2HB SER 2 -12.775 -6.472 -5.087 10 HG SER 2 HG SER 2 -13.804 -8.697 -5.722 11 H VAL 3 H VAL 3 -9.544 -6.585 -2.338 12 HA VAL 3 HA VAL 3 -11.187 -4.581 -0.956 13 HB VAL 3 HB VAL 3 -9.485 -4.639 0.785 14 1HG1 VAL 3 1HG1 VAL 3 -11.145 -6.934 0.021 15 2HG1 VAL 3 2HG1 VAL 3 -9.797 -7.368 1.100 16 3HG1 VAL 3 3HG1 VAL 3 -10.965 -6.120 1.593 17 1HG2 VAL 3 1HG2 VAL 3 -8.168 -6.732 -0.971 18 2HG2 VAL 3 2HG2 VAL 3 -7.494 -5.171 -0.444 19 3HG2 VAL 3 3HG2 VAL 3 -7.760 -6.472 0.742 20 H GLN 4 H GLN 4 -9.576 -2.654 -0.212 21 HA GLN 4 HA GLN 4 -7.749 -2.055 -2.357 22 1HB GLN 4 1HB GLN 4 -8.855 0.288 -2.542 23 2HB GLN 4 2HB GLN 4 -9.635 -1.052 -3.360 24 1HG GLN 4 1HG GLN 4 -11.003 -1.328 -1.127 25 2HG GLN 4 2HG GLN 4 -10.447 0.293 -0.760 26 1HE2 GLN 4 2HE2 GLN 4 -11.525 1.957 -1.525 27 2HE2 GLN 4 1HE2 GLN 4 -12.732 1.932 -2.767 28 H ILE 5 H ILE 5 -6.385 -0.097 -1.837 29 HA ILE 5 HA ILE 5 -6.354 0.397 1.058 30 HB ILE 5 HB ILE 5 -4.141 -0.373 -0.805 31 1HG1 ILE 5 1HG1 ILE 5 -5.290 -2.072 0.602 32 2HG1 ILE 5 2HG1 ILE 5 -3.572 -1.934 0.918 33 1HG2 ILE 5 1HG2 ILE 5 -3.990 1.585 1.428 34 2HG2 ILE 5 2HG2 ILE 5 -2.712 0.349 1.338 35 3HG2 ILE 5 3HG2 ILE 5 -3.001 1.433 -0.044 36 1HD1 ILE 5 1HD1 ILE 5 -5.172 -0.101 2.591 37 2HD1 ILE 5 2HD1 ILE 5 -5.587 -1.814 2.839 38 3HD1 ILE 5 3HD1 ILE 5 -3.910 -1.262 3.067 39 H LYS 6 H LYS 6 -6.961 2.464 1.400 40 HA LYS 6 HA LYS 6 -6.490 4.397 -0.709 41 1HB LYS 6 1HB LYS 6 -8.354 4.088 1.545 42 2HB LYS 6 2HB LYS 6 -7.745 5.721 1.361 43 1HG LYS 6 1HG LYS 6 -8.469 5.806 -0.974 44 2HG LYS 6 2HG LYS 6 -8.871 4.101 -0.967 45 1HD LYS 6 1HD LYS 6 -10.607 4.556 0.815 46 2HD LYS 6 2HD LYS 6 -10.242 6.266 0.697 47 1HE LYS 6 1HE LYS 6 -11.686 6.445 -1.042 48 2HE LYS 6 2HE LYS 6 -10.677 5.365 -1.983 49 1HZ LYS 6 1HZ LYS 6 -11.991 3.706 -0.321 50 2HZ LYS 6 2HZ LYS 6 -13.130 4.824 -0.662 51 3HZ LYS 6 3HZ LYS 6 -12.402 4.005 -1.873 52 H MET 7 H MET 7 -5.175 6.236 -0.511 53 HA MET 7 HA MET 7 -3.333 6.058 1.743 54 1HB MET 7 1HB MET 7 -3.033 7.106 -1.120 55 2HB MET 7 2HB MET 7 -1.824 7.418 0.110 56 1HG MET 7 1HG MET 7 -1.217 5.130 0.291 57 2HG MET 7 2HG MET 7 -2.737 4.568 -0.377 58 1HE MET 7 1HE MET 7 -2.852 3.551 -2.213 59 2HE MET 7 2HE MET 7 -3.203 4.856 -3.372 60 3HE MET 7 3HE MET 7 -1.902 3.690 -3.712 61 H GLY 8 H GLY 8 -4.143 7.457 3.294 62 1HA GLY 8 1HA GLY 8 -3.908 9.774 3.949 63 2HA GLY 8 2HA GLY 8 -4.597 10.243 2.409 64 H THR 9 H THR 9 -5.589 10.978 5.070 65 HA THR 9 HA THR 9 -8.201 9.614 4.982 66 HB THR 9 HB THR 9 -8.170 10.409 7.502 67 HG1 THR 9 HG1 THR 9 -5.335 10.177 6.815 68 1HG2 THR 9 1HG2 THR 9 -7.808 7.976 6.636 69 2HG2 THR 9 2HG2 THR 9 -6.067 8.318 6.781 70 3HG2 THR 9 3HG2 THR 9 -7.109 8.373 8.224 71 H ASP 10 H ASP 10 -10.078 10.933 5.536 72 HA ASP 10 HA ASP 10 -10.127 13.231 4.058 73 1HB ASP 10 1HB ASP 10 -11.987 11.657 5.306 74 2HB ASP 10 2HB ASP 10 -12.011 13.039 6.383 75 H LYS 11 H LYS 11 -8.878 12.607 7.240 76 HA LYS 11 HA LYS 11 -9.216 15.348 8.136 77 1HB LYS 11 1HB LYS 11 -8.567 12.741 9.378 78 2HB LYS 11 2HB LYS 11 -7.710 14.114 10.048 79 1HG LYS 11 1HG LYS 11 -10.133 15.254 9.981 80 2HG LYS 11 2HG LYS 11 -10.687 13.592 9.960 81 1HD LYS 11 1HD LYS 11 -9.113 13.212 11.998 82 2HD LYS 11 2HD LYS 11 -8.988 14.958 12.087 83 1HE LYS 11 1HE LYS 11 -11.753 14.530 11.845 84 2HE LYS 11 2HE LYS 11 -11.233 13.201 12.860 85 1HZ LYS 11 1HZ LYS 11 -9.990 14.974 14.138 86 2HZ LYS 11 2HZ LYS 11 -10.914 16.064 13.348 87 3HZ LYS 11 3HZ LYS 11 -11.614 14.940 14.304 88 H TYR 12 H TYR 12 -7.782 15.159 5.722 89 HA TYR 12 HA TYR 12 -5.770 15.479 4.773 90 1HB TYR 12 1HB TYR 12 -6.471 17.427 6.880 91 2HB TYR 12 2HB TYR 12 -4.729 17.349 6.710 92 HD1 TYR 12 HD1 TYR 12 -3.894 17.406 4.145 93 HD2 TYR 12 HD2 TYR 12 -7.613 18.965 5.571 94 HE1 TYR 12 HE1 TYR 12 -4.028 18.948 2.129 95 HE2 TYR 12 HE2 TYR 12 -7.735 20.503 3.551 96 HH TYR 12 HH TYR 12 -6.764 20.387 1.142 97 H ALA 13 H ALA 13 -5.762 13.268 6.783 98 HA ALA 13 HA ALA 13 -3.047 13.542 7.846 99 1HB ALA 13 1HB ALA 13 -5.535 12.219 8.690 100 2HB ALA 13 2HB ALA 13 -4.113 11.151 8.776 101 3HB ALA 13 3HB ALA 13 -4.117 12.702 9.651 102 HA PRO 14 HA PRO 14 -1.963 11.019 4.419 103 1HB PRO 14 1HB PRO 14 0.742 11.347 4.623 104 2HB PRO 14 2HB PRO 14 -0.293 12.451 3.738 105 1HG PRO 14 1HG PRO 14 0.985 12.821 6.378 106 2HG PRO 14 2HG PRO 14 0.317 14.032 5.302 107 1HD PRO 14 1HD PRO 14 -0.892 13.006 7.693 108 2HD PRO 14 2HD PRO 14 -1.608 14.130 6.555 109 H LEU 15 H LEU 15 -2.900 9.173 5.476 110 HA LEU 15 HA LEU 15 -0.727 7.449 6.362 111 1HB LEU 15 1HB LEU 15 -1.966 6.678 8.291 112 2HB LEU 15 2HB LEU 15 -1.589 8.385 8.410 113 HG LEU 15 HG LEU 15 -4.074 8.539 7.335 114 1HD1 LEU 15 1HD1 LEU 15 -4.164 5.979 7.486 115 2HD1 LEU 15 2HD1 LEU 15 -4.346 6.220 9.240 116 3HD1 LEU 15 3HD1 LEU 15 -5.548 6.902 8.119 117 1HD2 LEU 15 1HD2 LEU 15 -2.993 9.534 9.474 118 2HD2 LEU 15 2HD2 LEU 15 -4.763 9.364 9.389 119 3HD2 LEU 15 3HD2 LEU 15 -3.798 8.184 10.308 120 H TYR 16 H TYR 16 -1.307 5.133 6.219 121 HA TYR 16 HA TYR 16 -2.912 4.693 3.887 122 1HB TYR 16 1HB TYR 16 -1.114 3.214 5.838 123 2HB TYR 16 2HB TYR 16 -2.221 2.226 4.906 124 HD1 TYR 16 HD1 TYR 16 -2.111 2.334 2.358 125 HD2 TYR 16 HD2 TYR 16 0.897 4.035 4.881 126 HE1 TYR 16 HE1 TYR 16 -0.479 2.356 0.409 127 HE2 TYR 16 HE2 TYR 16 2.518 4.052 2.924 128 HH TYR 16 HH TYR 16 2.869 3.437 0.874 129 H GLU 17 H GLU 17 -4.924 3.721 3.721 130 HA GLU 17 HA GLU 17 -6.078 2.697 6.164 131 1HB GLU 17 1HB GLU 17 -6.655 5.241 5.646 132 2HB GLU 17 2HB GLU 17 -7.767 4.551 4.482 133 1HG GLU 17 1HG GLU 17 -8.942 3.305 6.204 134 2HG GLU 17 2HG GLU 17 -7.701 3.646 7.393 135 HA PRO 18 HA PRO 18 -7.503 1.666 6.742 136 1HB PRO 18 1HB PRO 18 -7.835 -0.985 7.321 137 2HB PRO 18 2HB PRO 18 -9.172 0.100 6.992 138 1HG PRO 18 1HG PRO 18 -8.002 -1.980 5.249 139 2HG PRO 18 2HG PRO 18 -9.565 -1.197 5.126 140 1HD PRO 18 1HD PRO 18 -7.245 -0.659 3.527 141 2HD PRO 18 2HD PRO 18 -8.770 0.202 3.484 142 H LYS 19 H LYS 19 -6.129 1.372 8.531 143 HA LYS 19 HA LYS 19 -3.482 1.289 7.909 144 1HB LYS 19 1HB LYS 19 -4.652 1.994 10.071 145 2HB LYS 19 2HB LYS 19 -4.609 0.306 10.538 146 1HG LYS 19 1HG LYS 19 -1.991 0.775 9.651 147 2HG LYS 19 2HG LYS 19 -2.412 2.282 10.442 148 1HD LYS 19 1HD LYS 19 -3.363 0.613 12.331 149 2HD LYS 19 2HD LYS 19 -2.201 -0.487 11.616 150 1HE LYS 19 1HE LYS 19 -0.532 1.571 11.822 151 2HE LYS 19 2HE LYS 19 -1.693 2.166 12.993 152 1HZ LYS 19 1HZ LYS 19 -0.666 -0.567 13.159 153 2HZ LYS 19 2HZ LYS 19 0.158 0.682 13.811 154 3HZ LYS 19 3HZ LYS 19 -1.349 0.334 14.337 155 H ALA 20 H ALA 20 -5.696 -1.440 8.649 156 HA ALA 20 HA ALA 20 -3.547 -3.229 7.743 157 1HB ALA 20 1HB ALA 20 -4.060 -3.238 10.268 158 2HB ALA 20 2HB ALA 20 -5.626 -3.961 9.827 159 3HB ALA 20 3HB ALA 20 -4.111 -4.806 9.427 160 H LEU 21 H LEU 21 -4.286 -5.124 6.564 161 HA LEU 21 HA LEU 21 -7.093 -5.125 5.823 162 1HB LEU 21 1HB LEU 21 -6.439 -3.716 4.131 163 2HB LEU 21 2HB LEU 21 -4.840 -4.419 3.998 164 HG LEU 21 HG LEU 21 -5.777 -6.409 2.905 165 1HD1 LEU 21 1HD1 LEU 21 -8.187 -5.600 4.060 166 2HD1 LEU 21 2HD1 LEU 21 -8.416 -5.367 2.310 167 3HD1 LEU 21 3HD1 LEU 21 -7.929 -6.959 2.939 168 1HD2 LEU 21 1HD2 LEU 21 -5.216 -4.099 1.741 169 2HD2 LEU 21 2HD2 LEU 21 -5.889 -5.469 0.828 170 3HD2 LEU 21 3HD2 LEU 21 -6.953 -4.143 1.355 171 H SER 22 H SER 22 -7.838 -7.182 5.183 172 HA SER 22 HA SER 22 -5.785 -9.248 5.271 173 1HB SER 22 1HB SER 22 -7.144 -9.089 7.413 174 2HB SER 22 2HB SER 22 -8.574 -9.488 6.481 175 HG SER 22 HG SER 22 -6.211 -11.133 6.807 176 H ILE 23 H ILE 23 -6.119 -11.032 3.831 177 HA ILE 23 HA ILE 23 -8.568 -11.140 2.319 178 HB ILE 23 HB ILE 23 -7.480 -10.904 0.148 179 1HG1 ILE 23 1HG1 ILE 23 -5.049 -9.778 1.536 180 2HG1 ILE 23 2HG1 ILE 23 -5.158 -11.477 1.121 181 1HG2 ILE 23 1HG2 ILE 23 -8.645 -9.000 1.177 182 2HG2 ILE 23 2HG2 ILE 23 -7.115 -8.469 1.914 183 3HG2 ILE 23 3HG2 ILE 23 -7.293 -8.479 0.143 184 1HD1 ILE 23 1HD1 ILE 23 -5.959 -9.691 -1.101 185 2HD1 ILE 23 2HD1 ILE 23 -4.271 -9.474 -0.580 186 3HD1 ILE 23 3HD1 ILE 23 -4.841 -11.076 -1.103 187 H SER 24 H SER 24 -7.933 -12.915 0.366 188 HA SER 24 HA SER 24 -6.626 -15.042 1.877 189 1HB SER 24 1HB SER 24 -8.867 -15.372 -0.165 190 2HB SER 24 2HB SER 24 -8.171 -16.634 0.834 191 HG SER 24 HG SER 24 -9.571 -14.305 1.846 192 H ALA 25 H ALA 25 -5.998 -16.940 0.189 193 HA ALA 25 HA ALA 25 -4.137 -15.740 -1.593 194 1HB ALA 25 1HB ALA 25 -3.788 -17.853 -0.273 195 2HB ALA 25 2HB ALA 25 -4.976 -18.654 -1.330 196 3HB ALA 25 3HB ALA 25 -3.456 -18.029 -2.013 197 H GLY 26 H GLY 26 -4.917 -14.693 -3.380 198 1HA GLY 26 1HA GLY 26 -5.526 -15.341 -5.690 199 2HA GLY 26 2HA GLY 26 -6.917 -16.155 -5.001 200 H ASP 27 H ASP 27 -6.542 -13.584 -2.959 201 HA ASP 27 HA ASP 27 -8.658 -12.186 -4.242 202 1HB ASP 27 1HB ASP 27 -7.110 -11.840 -1.649 203 2HB ASP 27 2HB ASP 27 -8.249 -10.616 -2.173 204 H THR 28 H THR 28 -8.402 -9.568 -4.099 205 HA THR 28 HA THR 28 -5.722 -8.879 -5.110 206 HB THR 28 HB THR 28 -8.416 -7.823 -6.111 207 HG1 THR 28 HG1 THR 28 -7.770 -10.197 -6.444 208 1HG2 THR 28 1HG2 THR 28 -6.280 -6.421 -6.503 209 2HG2 THR 28 2HG2 THR 28 -5.665 -7.802 -7.441 210 3HG2 THR 28 3HG2 THR 28 -7.132 -6.948 -7.973 211 H VAL 29 H VAL 29 -5.115 -6.596 -4.848 212 HA VAL 29 HA VAL 29 -6.599 -5.302 -2.681 213 HB VAL 29 HB VAL 29 -3.634 -5.876 -2.779 214 1HG1 VAL 29 1HG1 VAL 29 -4.843 -3.549 -1.801 215 2HG1 VAL 29 2HG1 VAL 29 -4.567 -4.557 -0.360 216 3HG1 VAL 29 3HG1 VAL 29 -3.207 -4.145 -1.432 217 1HG2 VAL 29 1HG2 VAL 29 -5.794 -6.644 -0.786 218 2HG2 VAL 29 2HG2 VAL 29 -4.967 -7.732 -1.927 219 3HG2 VAL 29 3HG2 VAL 29 -4.054 -6.972 -0.600 220 H GLU 30 H GLU 30 -7.394 -3.539 -3.742 221 HA GLU 30 HA GLU 30 -5.854 -2.349 -5.818 222 1HB GLU 30 1HB GLU 30 -8.548 -2.519 -5.276 223 2HB GLU 30 2HB GLU 30 -8.214 -0.881 -4.751 224 1HG GLU 30 1HG GLU 30 -7.036 -0.502 -6.996 225 2HG GLU 30 2HG GLU 30 -7.638 -2.069 -7.502 226 H PHE 31 H PHE 31 -5.609 0.180 -5.792 227 HA PHE 31 HA PHE 31 -5.113 1.198 -3.123 228 1HB PHE 31 1HB PHE 31 -3.077 0.755 -5.376 229 2HB PHE 31 2HB PHE 31 -2.782 1.941 -4.121 230 HD1 PHE 31 HD1 PHE 31 -3.302 -1.668 -4.734 231 HD2 PHE 31 HD2 PHE 31 -1.988 1.288 -1.989 232 HE1 PHE 31 HE1 PHE 31 -2.334 -3.460 -3.268 233 HE2 PHE 31 HE2 PHE 31 -1.021 -0.503 -0.522 234 HZ PHE 31 HZ PHE 31 -1.205 -2.857 -1.180 235 H VAL 32 H VAL 32 -5.726 3.315 -3.002 236 HA VAL 32 HA VAL 32 -5.675 4.864 -5.485 237 HB VAL 32 HB VAL 32 -7.940 3.907 -5.084 238 1HG1 VAL 32 1HG1 VAL 32 -7.441 4.881 -2.414 239 2HG1 VAL 32 2HG1 VAL 32 -8.910 5.641 -3.071 240 3HG1 VAL 32 3HG1 VAL 32 -8.773 3.867 -3.015 241 1HG2 VAL 32 1HG2 VAL 32 -7.210 6.442 -5.901 242 2HG2 VAL 32 2HG2 VAL 32 -8.824 5.714 -6.080 243 3HG2 VAL 32 3HG2 VAL 32 -8.472 6.766 -4.688 244 H MET 33 H MET 33 -5.566 7.204 -5.115 245 HA MET 33 HA MET 33 -4.245 7.711 -2.584 246 1HB MET 33 1HB MET 33 -4.125 8.797 -5.382 247 2HB MET 33 2HB MET 33 -3.904 9.993 -4.120 248 1HG MET 33 1HG MET 33 -2.034 8.718 -3.156 249 2HG MET 33 2HG MET 33 -2.324 7.380 -4.248 250 1HE MET 33 1HE MET 33 -2.219 11.125 -4.232 251 2HE MET 33 2HE MET 33 -1.090 11.599 -5.525 252 3HE MET 33 3HE MET 33 -2.740 11.073 -5.934 253 H ASN 34 H ASN 34 -5.538 8.511 -0.983 254 HA ASN 34 HA ASN 34 -8.011 9.670 -1.551 255 1HB ASN 34 1HB ASN 34 -6.368 9.035 0.832 256 2HB ASN 34 2HB ASN 34 -7.315 10.492 1.052 257 1HD2 ASN 34 2HD2 ASN 34 -8.902 9.864 2.345 258 2HD2 ASN 34 1HD2 ASN 34 -10.039 8.597 2.032 259 H LYS 35 H LYS 35 -5.123 11.090 0.178 260 HA LYS 35 HA LYS 35 -5.049 13.386 -1.468 261 1HB LYS 35 1HB LYS 35 -5.758 15.047 0.222 262 2HB LYS 35 2HB LYS 35 -7.073 14.033 -0.335 263 1HG LYS 35 1HG LYS 35 -5.716 12.839 1.984 264 2HG LYS 35 2HG LYS 35 -6.289 14.454 2.346 265 1HD LYS 35 1HD LYS 35 -8.081 12.400 0.989 266 2HD LYS 35 2HD LYS 35 -7.936 12.477 2.733 267 1HE LYS 35 1HE LYS 35 -8.795 14.800 0.941 268 2HE LYS 35 2HE LYS 35 -9.882 13.805 1.890 269 1HZ LYS 35 1HZ LYS 35 -7.821 14.764 3.518 270 2HZ LYS 35 2HZ LYS 35 -8.503 16.020 2.730 271 3HZ LYS 35 3HZ LYS 35 -9.427 15.031 3.642 272 H VAL 36 H VAL 36 -3.801 15.180 0.308 273 HA VAL 36 HA VAL 36 -1.740 15.586 1.019 274 HB VAL 36 HB VAL 36 -1.860 13.092 2.672 275 1HG1 VAL 36 1HG1 VAL 36 -0.848 15.909 2.985 276 2HG1 VAL 36 2HG1 VAL 36 -1.225 14.928 4.422 277 3HG1 VAL 36 3HG1 VAL 36 -0.007 14.363 3.254 278 1HG2 VAL 36 1HG2 VAL 36 -3.932 15.198 2.554 279 2HG2 VAL 36 2HG2 VAL 36 -4.016 13.535 3.181 280 3HG2 VAL 36 3HG2 VAL 36 -3.321 14.830 4.184 281 H GLY 37 H GLY 37 -1.597 14.510 -1.464 282 1HA GLY 37 1HA GLY 37 0.332 12.298 -1.351 283 2HA GLY 37 2HA GLY 37 -0.542 12.867 -2.759 284 HA PRO 38 HA PRO 38 0.656 12.265 -4.042 285 1HB PRO 38 1HB PRO 38 2.872 11.412 -5.394 286 2HB PRO 38 2HB PRO 38 1.769 12.617 -6.027 287 1HG PRO 38 1HG PRO 38 4.468 12.994 -4.882 288 2HG PRO 38 2HG PRO 38 3.541 14.088 -5.888 289 1HD PRO 38 1HD PRO 38 3.937 14.283 -3.054 290 2HD PRO 38 2HD PRO 38 2.915 15.308 -4.043 291 H HIS 39 H HIS 39 1.348 9.826 -4.390 292 HA HIS 39 HA HIS 39 2.763 9.051 -1.958 293 1HB HIS 39 1HB HIS 39 0.147 7.819 -2.861 294 2HB HIS 39 2HB HIS 39 1.095 7.346 -1.466 295 HD2 HIS 39 HD2 HIS 39 -0.997 10.530 -2.611 296 HE1 HIS 39 HE1 HIS 39 -0.821 10.428 1.640 297 HE2 HIS 39 HE2 HIS 39 -1.743 11.649 -0.447 298 H ASN 40 H ASN 40 2.630 6.286 -2.241 299 HA ASN 40 HA ASN 40 3.002 5.431 -4.857 300 1HB ASN 40 1HB ASN 40 5.578 4.907 -4.433 301 2HB ASN 40 2HB ASN 40 5.107 6.468 -5.074 302 1HD2 ASN 40 2HD2 ASN 40 7.335 6.814 -4.110 303 2HD2 ASN 40 1HD2 ASN 40 7.414 7.412 -2.487 304 H VAL 41 H VAL 41 4.051 3.097 -4.786 305 HA VAL 41 HA VAL 41 3.383 1.905 -2.188 306 HB VAL 41 HB VAL 41 3.265 0.791 -4.996 307 1HG1 VAL 41 1HG1 VAL 41 2.716 -0.550 -2.329 308 2HG1 VAL 41 2HG1 VAL 41 2.243 -1.218 -3.910 309 3HG1 VAL 41 3HG1 VAL 41 3.964 -0.984 -3.521 310 1HG2 VAL 41 1HG2 VAL 41 1.235 1.868 -3.075 311 2HG2 VAL 41 2HG2 VAL 41 1.340 2.038 -4.844 312 3HG2 VAL 41 3HG2 VAL 41 0.775 0.510 -4.129 313 H ILE 42 H ILE 42 5.207 1.560 -1.020 314 HA ILE 42 HA ILE 42 7.442 0.323 -2.460 315 HB ILE 42 HB ILE 42 7.795 2.349 -0.260 316 1HG1 ILE 42 1HG1 ILE 42 6.627 3.313 -2.291 317 2HG1 ILE 42 2HG1 ILE 42 8.134 4.075 -1.825 318 1HG2 ILE 42 1HG2 ILE 42 9.693 1.152 -2.298 319 2HG2 ILE 42 2HG2 ILE 42 10.100 2.441 -1.139 320 3HG2 ILE 42 3HG2 ILE 42 9.652 0.822 -0.548 321 1HD1 ILE 42 1HD1 ILE 42 9.342 2.679 -3.538 322 2HD1 ILE 42 2HD1 ILE 42 7.772 2.015 -4.049 323 3HD1 ILE 42 3HD1 ILE 42 8.113 3.750 -4.253 324 H PHE 43 H PHE 43 6.330 -1.670 -1.715 325 HA PHE 43 HA PHE 43 5.709 -2.282 0.854 326 1HB PHE 43 1HB PHE 43 7.048 -3.849 -1.421 327 2HB PHE 43 2HB PHE 43 6.509 -4.656 0.039 328 HD1 PHE 43 HD1 PHE 43 5.412 -2.883 -2.982 329 HD2 PHE 43 HD2 PHE 43 4.167 -5.028 0.462 330 HE1 PHE 43 HE1 PHE 43 3.110 -3.111 -3.956 331 HE2 PHE 43 HE2 PHE 43 1.865 -5.256 -0.513 332 HZ PHE 43 HZ PHE 43 1.364 -4.294 -2.710 333 H ASP 44 H ASP 44 6.937 -3.923 2.315 334 HA ASP 44 HA ASP 44 9.606 -2.827 2.647 335 1HB ASP 44 1HB ASP 44 7.645 -2.944 4.477 336 2HB ASP 44 2HB ASP 44 8.238 -4.578 4.696 337 H LYS 45 H LYS 45 7.663 -5.901 2.812 338 HA LYS 45 HA LYS 45 9.255 -7.475 1.315 339 1HB LYS 45 1HB LYS 45 10.600 -6.872 3.810 340 2HB LYS 45 2HB LYS 45 10.281 -8.590 3.691 341 1HG LYS 45 1HG LYS 45 11.140 -8.115 1.138 342 2HG LYS 45 2HG LYS 45 12.026 -6.859 1.979 343 1HD LYS 45 1HD LYS 45 12.028 -9.779 2.868 344 2HD LYS 45 2HD LYS 45 13.231 -9.109 1.784 345 1HE LYS 45 1HE LYS 45 14.402 -8.330 3.561 346 2HE LYS 45 2HE LYS 45 13.052 -7.305 4.005 347 1HZ LYS 45 1HZ LYS 45 12.111 -9.182 5.193 348 2HZ LYS 45 2HZ LYS 45 13.396 -10.112 4.804 349 3HZ LYS 45 3HZ LYS 45 13.593 -8.808 5.766 350 H VAL 46 H VAL 46 8.364 -9.554 1.155 351 HA VAL 46 HA VAL 46 6.316 -10.168 3.167 352 HB VAL 46 HB VAL 46 4.792 -10.825 1.470 353 1HG1 VAL 46 1HG1 VAL 46 5.940 -8.121 1.456 354 2HG1 VAL 46 2HG1 VAL 46 5.055 -8.525 -0.035 355 3HG1 VAL 46 3HG1 VAL 46 4.243 -8.648 1.544 356 1HG2 VAL 46 1HG2 VAL 46 6.589 -11.744 -0.071 357 2HG2 VAL 46 2HG2 VAL 46 5.237 -10.903 -0.866 358 3HG2 VAL 46 3HG2 VAL 46 6.804 -10.082 -0.670 359 HA PRO 47 HA PRO 47 8.161 -14.074 3.177 360 1HB PRO 47 1HB PRO 47 6.110 -15.677 4.011 361 2HB PRO 47 2HB PRO 47 7.054 -14.683 5.102 362 1HG PRO 47 1HG PRO 47 4.303 -14.248 4.111 363 2HG PRO 47 2HG PRO 47 5.098 -13.526 5.496 364 1HD PRO 47 1HD PRO 47 4.616 -12.286 2.956 365 2HD PRO 47 2HD PRO 47 5.512 -11.607 4.300 366 H ALA 48 H ALA 48 8.101 -16.396 2.387 367 HA ALA 48 HA ALA 48 7.774 -17.843 0.733 368 1HB ALA 48 1HB ALA 48 5.318 -16.354 0.784 369 2HB ALA 48 2HB ALA 48 5.764 -16.648 -0.913 370 3HB ALA 48 3HB ALA 48 5.598 -18.016 0.213 371 H GLY 49 H GLY 49 7.587 -17.744 -1.944 372 1HA GLY 49 1HA GLY 49 9.843 -16.060 -2.665 373 2HA GLY 49 2HA GLY 49 9.110 -17.340 -3.613 374 H GLU 50 H GLU 50 7.510 -14.503 -2.031 375 HA GLU 50 HA GLU 50 6.149 -13.963 -4.463 376 1HB GLU 50 1HB GLU 50 5.803 -13.372 -1.682 377 2HB GLU 50 2HB GLU 50 5.861 -11.836 -2.522 378 1HG GLU 50 1HG GLU 50 3.538 -12.801 -2.376 379 2HG GLU 50 2HG GLU 50 4.056 -12.492 -4.021 380 H SER 51 H SER 51 5.979 -11.196 -4.646 381 HA SER 51 HA SER 51 8.764 -10.439 -5.066 382 1HB SER 51 1HB SER 51 6.495 -10.533 -6.953 383 2HB SER 51 2HB SER 51 7.292 -8.972 -6.936 384 HG SER 51 HG SER 51 8.101 -11.127 -8.237 385 H ALA 52 H ALA 52 8.476 -9.489 -2.835 386 HA ALA 52 HA ALA 52 6.583 -7.365 -2.535 387 1HB ALA 52 1HB ALA 52 8.445 -8.917 -0.900 388 2HB ALA 52 2HB ALA 52 8.507 -7.182 -0.506 389 3HB ALA 52 3HB ALA 52 6.961 -8.059 -0.425 390 HA PRO 53 HA PRO 53 10.547 -4.842 -3.073 391 1HB PRO 53 1HB PRO 53 12.868 -6.060 -3.850 392 2HB PRO 53 2HB PRO 53 12.478 -5.719 -2.176 393 1HG PRO 53 1HG PRO 53 12.416 -8.306 -3.603 394 2HG PRO 53 2HG PRO 53 12.450 -8.006 -1.878 395 1HD PRO 53 1HD PRO 53 10.174 -8.783 -3.439 396 2HD PRO 53 2HD PRO 53 10.184 -8.370 -1.737 397 H ALA 54 H ALA 54 9.141 -6.918 -5.127 398 HA ALA 54 HA ALA 54 10.328 -5.595 -7.461 399 1HB ALA 54 1HB ALA 54 9.446 -8.307 -6.851 400 2HB ALA 54 2HB ALA 54 8.629 -7.672 -8.299 401 3HB ALA 54 3HB ALA 54 10.407 -7.710 -8.225 402 H LEU 55 H LEU 55 7.323 -6.257 -5.632 403 HA LEU 55 HA LEU 55 5.596 -5.131 -7.562 404 1HB LEU 55 1HB LEU 55 5.424 -6.023 -4.731 405 2HB LEU 55 2HB LEU 55 4.188 -4.921 -5.301 406 HG LEU 55 HG LEU 55 4.859 -7.495 -6.739 407 1HD1 LEU 55 1HD1 LEU 55 3.165 -7.032 -4.325 408 2HD1 LEU 55 2HD1 LEU 55 2.582 -8.169 -5.564 409 3HD1 LEU 55 3HD1 LEU 55 4.158 -8.436 -4.783 410 1HD2 LEU 55 1HD2 LEU 55 3.661 -5.706 -7.998 411 2HD2 LEU 55 2HD2 LEU 55 2.740 -7.220 -7.826 412 3HD2 LEU 55 3HD2 LEU 55 2.341 -5.815 -6.808 413 H SER 56 H SER 56 7.424 -3.854 -4.746 414 HA SER 56 HA SER 56 6.241 -1.440 -4.490 415 1HB SER 56 1HB SER 56 8.863 -0.768 -4.081 416 2HB SER 56 2HB SER 56 7.870 -1.606 -2.904 417 HG SER 56 HG SER 56 9.289 -3.196 -3.042 418 H ASN 57 H ASN 57 6.041 0.388 -5.754 419 HA ASN 57 HA ASN 57 7.886 0.581 -8.001 420 1HB ASN 57 1HB ASN 57 4.912 0.562 -7.941 421 2HB ASN 57 2HB ASN 57 5.568 1.926 -8.825 422 1HD2 ASN 57 2HD2 ASN 57 6.195 1.653 -10.838 423 2HD2 ASN 57 1HD2 ASN 57 6.451 0.146 -11.652 424 H THR 58 H THR 58 8.865 2.633 -8.161 425 HA THR 58 HA THR 58 8.076 4.603 -6.166 426 HB THR 58 HB THR 58 10.470 3.860 -6.450 427 HG1 THR 58 HG1 THR 58 9.735 6.565 -7.329 428 1HG2 THR 58 1HG2 THR 58 10.066 5.165 -9.189 429 2HG2 THR 58 2HG2 THR 58 11.668 4.930 -8.449 430 3HG2 THR 58 3HG2 THR 58 10.662 3.520 -8.861 431 H LYS 59 H LYS 59 6.477 3.918 -8.704 432 HA LYS 59 HA LYS 59 6.709 6.420 -10.148 433 1HB LYS 59 1HB LYS 59 6.409 4.218 -11.304 434 2HB LYS 59 2HB LYS 59 4.813 4.095 -10.589 435 1HG LYS 59 1HG LYS 59 4.281 6.380 -11.638 436 2HG LYS 59 2HG LYS 59 5.800 6.257 -12.504 437 1HD LYS 59 1HD LYS 59 5.079 4.356 -13.758 438 2HD LYS 59 2HD LYS 59 3.778 3.995 -12.641 439 1HE LYS 59 1HE LYS 59 2.894 6.413 -13.350 440 2HE LYS 59 2HE LYS 59 3.915 6.161 -14.752 441 1HZ LYS 59 1HZ LYS 59 2.757 4.031 -15.064 442 2HZ LYS 59 2HZ LYS 59 1.735 4.413 -13.850 443 3HZ LYS 59 3HZ LYS 59 1.768 5.323 -15.206 444 H LEU 60 H LEU 60 6.222 7.487 -7.916 445 HA LEU 60 HA LEU 60 3.724 7.306 -6.757 446 1HB LEU 60 1HB LEU 60 4.287 9.761 -6.108 447 2HB LEU 60 2HB LEU 60 5.216 8.421 -5.467 448 HG LEU 60 HG LEU 60 6.361 9.428 -7.953 449 1HD1 LEU 60 1HD1 LEU 60 6.015 11.378 -5.663 450 2HD1 LEU 60 2HD1 LEU 60 7.191 11.571 -6.985 451 3HD1 LEU 60 3HD1 LEU 60 5.447 11.558 -7.340 452 1HD2 LEU 60 1HD2 LEU 60 7.204 8.524 -5.282 453 2HD2 LEU 60 2HD2 LEU 60 7.948 8.265 -6.879 454 3HD2 LEU 60 3HD2 LEU 60 8.233 9.787 -6.000 455 H ALA 61 H ALA 61 1.700 8.034 -7.254 456 HA ALA 61 HA ALA 61 1.417 9.291 -9.859 457 1HB ALA 61 1HB ALA 61 0.082 7.248 -8.610 458 2HB ALA 61 2HB ALA 61 -0.982 8.628 -8.247 459 3HB ALA 61 3HB ALA 61 -0.591 8.226 -9.937 460 H ILE 62 H ILE 62 1.106 11.447 -10.099 461 HA ILE 62 HA ILE 62 0.771 13.025 -7.703 462 HB ILE 62 HB ILE 62 1.029 13.961 -10.556 463 1HG1 ILE 62 1HG1 ILE 62 2.856 12.353 -9.860 464 2HG1 ILE 62 2HG1 ILE 62 3.379 13.943 -10.379 465 1HG2 ILE 62 1HG2 ILE 62 1.298 15.255 -7.854 466 2HG2 ILE 62 2HG2 ILE 62 2.153 15.907 -9.272 467 3HG2 ILE 62 3HG2 ILE 62 0.377 15.789 -9.281 468 1HD1 ILE 62 1HD1 ILE 62 3.362 14.626 -7.894 469 2HD1 ILE 62 2HD1 ILE 62 3.171 12.894 -7.530 470 3HD1 ILE 62 3HD1 ILE 62 4.623 13.469 -8.384 471 H ALA 63 H ALA 63 -0.993 12.288 -10.767 472 HA ALA 63 HA ALA 63 -3.211 13.931 -9.990 473 1HB ALA 63 1HB ALA 63 -2.464 13.541 -12.355 474 2HB ALA 63 2HB ALA 63 -2.980 11.845 -12.194 475 3HB ALA 63 3HB ALA 63 -4.179 13.155 -12.078 476 HA PRO 64 HA PRO 64 -5.271 10.882 -7.705 477 1HB PRO 64 1HB PRO 64 -7.781 11.960 -7.629 478 2HB PRO 64 2HB PRO 64 -6.488 12.469 -6.563 479 1HG PRO 64 1HG PRO 64 -7.599 13.860 -8.921 480 2HG PRO 64 2HG PRO 64 -6.630 14.515 -7.617 481 1HD PRO 64 1HD PRO 64 -5.738 13.886 -10.269 482 2HD PRO 64 2HD PRO 64 -4.746 14.431 -8.931 483 H GLY 65 H GLY 65 -7.389 9.503 -7.674 484 1HA GLY 65 1HA GLY 65 -9.041 8.858 -9.526 485 2HA GLY 65 2HA GLY 65 -7.587 8.488 -10.434 486 H SER 66 H SER 66 -6.137 6.770 -9.685 487 HA SER 66 HA SER 66 -6.565 5.305 -7.412 488 1HB SER 66 1HB SER 66 -7.608 3.216 -8.455 489 2HB SER 66 2HB SER 66 -8.701 4.559 -8.180 490 HG SER 66 HG SER 66 -8.145 5.156 -10.521 491 H PHE 67 H PHE 67 -4.391 4.834 -7.256 492 HA PHE 67 HA PHE 67 -2.528 4.706 -9.130 493 1HB PHE 67 1HB PHE 67 -3.096 3.418 -6.502 494 2HB PHE 67 2HB PHE 67 -1.947 2.494 -7.450 495 HD1 PHE 67 HD1 PHE 67 0.032 3.903 -8.480 496 HD2 PHE 67 HD2 PHE 67 -2.308 5.128 -5.158 497 HE1 PHE 67 HE1 PHE 67 1.873 5.445 -7.752 498 HE2 PHE 67 HE2 PHE 67 -0.466 6.670 -4.430 499 HZ PHE 67 HZ PHE 67 1.602 6.811 -5.736 500 H TYR 68 H TYR 68 -3.735 1.529 -7.879 501 HA TYR 68 HA TYR 68 -4.650 0.515 -10.283 502 1HB TYR 68 1HB TYR 68 -2.508 -0.970 -10.668 503 2HB TYR 68 2HB TYR 68 -2.401 0.701 -11.185 504 HD1 TYR 68 HD1 TYR 68 -1.651 -1.487 -8.238 505 HD2 TYR 68 HD2 TYR 68 -0.624 2.029 -10.448 506 HE1 TYR 68 HE1 TYR 68 0.403 -1.159 -6.776 507 HE2 TYR 68 HE2 TYR 68 1.427 2.345 -8.978 508 HH TYR 68 HH TYR 68 2.487 -0.111 -6.812 509 H SER 69 H SER 69 -4.515 -2.050 -10.239 510 HA SER 69 HA SER 69 -4.777 -2.787 -7.428 511 1HB SER 69 1HB SER 69 -6.173 -4.515 -9.375 512 2HB SER 69 2HB SER 69 -6.757 -3.829 -7.872 513 HG SER 69 HG SER 69 -7.931 -2.903 -9.599 514 H VAL 70 H VAL 70 -4.212 -5.086 -6.911 515 HA VAL 70 HA VAL 70 -2.670 -6.474 -8.930 516 HB VAL 70 HB VAL 70 -0.837 -6.706 -7.077 517 1HG1 VAL 70 1HG1 VAL 70 -0.729 -5.644 -9.418 518 2HG1 VAL 70 2HG1 VAL 70 -0.907 -4.085 -8.579 519 3HG1 VAL 70 3HG1 VAL 70 0.486 -5.134 -8.222 520 1HG2 VAL 70 1HG2 VAL 70 -2.244 -5.310 -5.462 521 2HG2 VAL 70 2HG2 VAL 70 -0.528 -4.866 -5.626 522 3HG2 VAL 70 3HG2 VAL 70 -1.780 -3.901 -6.446 523 H THR 71 H THR 71 -2.712 -8.703 -8.628 524 HA THR 71 HA THR 71 -4.307 -9.575 -6.315 525 HB THR 71 HB THR 71 -3.829 -10.817 -9.076 526 HG1 THR 71 HG1 THR 71 -5.221 -8.925 -9.034 527 1HG2 THR 71 1HG2 THR 71 -4.943 -11.910 -6.590 528 2HG2 THR 71 2HG2 THR 71 -6.194 -11.799 -7.851 529 3HG2 THR 71 3HG2 THR 71 -4.702 -12.721 -8.156 530 H LEU 72 H LEU 72 -3.715 -11.466 -5.140 531 HA LEU 72 HA LEU 72 -0.853 -12.073 -5.416 532 1HB LEU 72 1HB LEU 72 -2.551 -11.818 -2.932 533 2HB LEU 72 2HB LEU 72 -0.945 -12.518 -2.948 534 HG LEU 72 HG LEU 72 -1.595 -9.678 -3.783 535 1HD1 LEU 72 1HD1 LEU 72 -1.981 -10.187 -1.352 536 2HD1 LEU 72 2HD1 LEU 72 -0.249 -10.581 -1.228 537 3HD1 LEU 72 3HD1 LEU 72 -0.758 -8.937 -1.681 538 1HD2 LEU 72 1HD2 LEU 72 0.717 -11.313 -4.211 539 2HD2 LEU 72 2HD2 LEU 72 0.432 -9.618 -4.675 540 3HD2 LEU 72 3HD2 LEU 72 1.132 -10.000 -3.083 541 H GLY 73 H GLY 73 -0.360 -14.306 -4.292 542 1HA GLY 73 1HA GLY 73 -2.534 -16.218 -4.512 543 2HA GLY 73 2HA GLY 73 -1.297 -16.350 -5.746 544 H THR 74 H THR 74 -0.709 -15.222 -2.385 545 HA THR 74 HA THR 74 0.331 -17.804 -1.598 546 HB THR 74 HB THR 74 2.165 -15.360 -1.825 547 HG1 THR 74 HG1 THR 74 2.072 -16.152 -3.912 548 1HG2 THR 74 1HG2 THR 74 2.630 -18.310 -1.146 549 2HG2 THR 74 2HG2 THR 74 3.934 -17.162 -1.531 550 3HG2 THR 74 3HG2 THR 74 2.934 -16.917 -0.080 551 HA PRO 75 HA PRO 75 -1.139 -16.199 2.119 552 1HB PRO 75 1HB PRO 75 -0.422 -18.256 3.770 553 2HB PRO 75 2HB PRO 75 -1.876 -18.274 2.791 554 1HG PRO 75 1HG PRO 75 0.661 -19.731 2.368 555 2HG PRO 75 2HG PRO 75 -0.914 -20.047 1.671 556 1HD PRO 75 1HD PRO 75 1.317 -18.794 0.373 557 2HD PRO 75 2HD PRO 75 -0.294 -19.006 -0.283 558 H GLY 76 H GLY 76 -0.555 -15.144 4.058 559 1HA GLY 76 1HA GLY 76 1.523 -15.109 5.562 560 2HA GLY 76 2HA GLY 76 2.347 -14.634 4.091 561 H THR 77 H THR 77 2.664 -12.773 5.904 562 HA THR 77 HA THR 77 0.503 -10.813 5.503 563 HB THR 77 HB THR 77 1.301 -11.732 7.874 564 HG1 THR 77 HG1 THR 77 1.013 -9.342 8.520 565 1HG2 THR 77 1HG2 THR 77 3.772 -10.945 7.173 566 2HG2 THR 77 2HG2 THR 77 3.150 -9.347 7.650 567 3HG2 THR 77 3HG2 THR 77 3.177 -10.680 8.830 568 H TYR 78 H TYR 78 0.856 -9.066 4.279 569 HA TYR 78 HA TYR 78 3.635 -8.619 3.442 570 1HB TYR 78 1HB TYR 78 0.857 -7.899 2.317 571 2HB TYR 78 2HB TYR 78 2.351 -7.394 1.555 572 HD1 TYR 78 HD1 TYR 78 0.804 -10.579 2.822 573 HD2 TYR 78 HD2 TYR 78 3.074 -8.651 -0.250 574 HE1 TYR 78 HE1 TYR 78 0.872 -12.749 1.500 575 HE2 TYR 78 HE2 TYR 78 3.134 -10.828 -1.561 576 HH TYR 78 HH TYR 78 1.109 -13.336 -0.983 577 H SER 79 H SER 79 4.659 -6.721 3.926 578 HA SER 79 HA SER 79 2.988 -4.721 5.231 579 1HB SER 79 1HB SER 79 4.612 -5.529 6.793 580 2HB SER 79 2HB SER 79 5.897 -5.510 5.600 581 HG SER 79 HG SER 79 5.742 -3.156 5.569 582 H PHE 80 H PHE 80 3.846 -2.385 4.946 583 HA PHE 80 HA PHE 80 5.554 -1.808 2.790 584 1HB PHE 80 1HB PHE 80 3.520 -0.735 1.463 585 2HB PHE 80 2HB PHE 80 3.795 -2.458 1.292 586 HD1 PHE 80 HD1 PHE 80 2.331 -4.069 2.454 587 HD2 PHE 80 HD2 PHE 80 1.566 0.102 2.580 588 HE1 PHE 80 HE1 PHE 80 -0.012 -4.523 3.232 589 HE2 PHE 80 HE2 PHE 80 -0.777 -0.350 3.358 590 HZ PHE 80 HZ PHE 80 -1.538 -2.657 3.674 591 H TYR 81 H TYR 81 5.147 0.672 2.109 592 HA TYR 81 HA TYR 81 3.960 2.211 4.241 593 1HB TYR 81 1HB TYR 81 6.319 3.398 4.411 594 2HB TYR 81 2HB TYR 81 6.137 1.865 5.241 595 HD1 TYR 81 HD1 TYR 81 7.489 3.465 2.171 596 HD2 TYR 81 HD2 TYR 81 7.445 -0.036 4.630 597 HE1 TYR 81 HE1 TYR 81 9.464 2.523 0.878 598 HE2 TYR 81 HE2 TYR 81 9.420 -0.966 3.328 599 HH TYR 81 HH TYR 81 10.831 -0.647 1.733 600 H CYS 82 H CYS 82 4.948 4.701 3.738 601 HA CYS 82 HA CYS 82 4.739 5.013 0.840 602 1HB CYS 82 1HB CYS 82 2.539 5.475 1.527 603 2HB CYS 82 2HB CYS 82 3.064 6.357 2.947 604 H THR 83 H THR 83 6.940 5.554 0.588 605 HA THR 83 HA THR 83 8.701 6.721 2.143 606 HB THR 83 HB THR 83 8.078 6.803 -0.762 607 HG1 THR 83 HG1 THR 83 10.031 5.733 -0.584 608 1HG2 THR 83 1HG2 THR 83 9.598 9.031 0.613 609 2HG2 THR 83 2HG2 THR 83 10.258 8.362 -0.899 610 3HG2 THR 83 3HG2 THR 83 8.633 9.088 -0.882 611 HA PRO 84 HA PRO 84 6.987 11.067 1.712 612 1HB PRO 84 1HB PRO 84 4.673 11.547 0.338 613 2HB PRO 84 2HB PRO 84 6.264 11.709 -0.377 614 1HG PRO 84 1HG PRO 84 4.268 9.562 -0.762 615 2HG PRO 84 2HG PRO 84 5.650 9.968 -1.761 616 1HD PRO 84 1HD PRO 84 5.448 7.781 0.083 617 2HD PRO 84 2HD PRO 84 6.868 8.255 -0.828 618 H HIS 85 H HIS 85 6.231 11.982 3.528 619 HA HIS 85 HA HIS 85 4.803 12.364 5.176 620 1HB HIS 85 1HB HIS 85 2.791 10.306 4.471 621 2HB HIS 85 2HB HIS 85 2.576 11.964 4.992 622 HD2 HIS 85 HD2 HIS 85 4.037 13.554 2.524 623 HE1 HIS 85 HE1 HIS 85 1.424 11.323 0.014 624 HE2 HIS 85 HE2 HIS 85 2.941 13.409 0.228 625 H ARG 86 H ARG 86 6.413 9.545 4.383 626 HA ARG 86 HA ARG 86 5.692 7.611 6.025 627 1HB ARG 86 1HB ARG 86 8.124 7.025 6.236 628 2HB ARG 86 2HB ARG 86 7.698 7.484 4.599 629 1HG ARG 86 1HG ARG 86 8.475 9.864 5.169 630 2HG ARG 86 2HG ARG 86 9.088 9.228 6.682 631 1HD ARG 86 1HD ARG 86 10.294 7.446 5.088 632 2HD ARG 86 2HD ARG 86 10.053 8.680 3.868 633 HE ARG 86 HE ARG 86 11.127 10.117 5.965 634 1HH1 ARG 86 1HH1 ARG 86 12.125 7.188 4.289 635 2HH1 ARG 86 2HH1 ARG 86 13.815 7.453 4.565 636 1HH2 ARG 86 1HH2 ARG 86 13.355 10.467 6.330 637 2HH2 ARG 86 2HH2 ARG 86 14.519 9.330 5.734 638 H GLY 87 H GLY 87 7.554 10.573 6.963 639 1HA GLY 87 1HA GLY 87 7.964 9.878 9.661 640 2HA GLY 87 2HA GLY 87 8.024 11.484 8.964 641 H ALA 88 H ALA 88 5.279 11.517 7.905 642 HA ALA 88 HA ALA 88 3.965 12.475 10.187 643 1HB ALA 88 1HB ALA 88 3.624 13.190 7.792 644 2HB ALA 88 2HB ALA 88 2.761 11.658 7.515 645 3HB ALA 88 3HB ALA 88 2.115 12.846 8.671 646 H GLY 89 H GLY 89 4.537 9.279 9.065 647 1HA GLY 89 1HA GLY 89 3.974 7.379 10.249 648 2HA GLY 89 2HA GLY 89 2.674 8.237 11.052 649 H MET 90 H MET 90 3.682 6.615 8.025 650 HA MET 90 HA MET 90 0.865 6.173 7.495 651 1HB MET 90 1HB MET 90 1.719 8.083 6.053 652 2HB MET 90 2HB MET 90 2.951 7.016 5.405 653 1HG MET 90 1HG MET 90 1.464 5.903 4.039 654 2HG MET 90 2HG MET 90 0.185 5.919 5.238 655 1HE MET 90 1HE MET 90 -0.807 6.244 2.551 656 2HE MET 90 2HE MET 90 -0.811 7.842 1.766 657 3HE MET 90 3HE MET 90 0.691 6.891 1.840 658 H VAL 91 H VAL 91 1.219 4.016 8.327 659 HA VAL 91 HA VAL 91 2.839 2.367 6.510 660 HB VAL 91 HB VAL 91 3.255 0.893 8.420 661 1HG1 VAL 91 1HG1 VAL 91 4.212 3.682 8.240 662 2HG1 VAL 91 2HG1 VAL 91 4.498 2.894 9.810 663 3HG1 VAL 91 3HG1 VAL 91 5.123 2.155 8.317 664 1HG2 VAL 91 1HG2 VAL 91 1.293 2.645 9.707 665 2HG2 VAL 91 2HG2 VAL 91 1.825 1.004 10.143 666 3HG2 VAL 91 3HG2 VAL 91 2.764 2.417 10.683 667 H GLY 92 H GLY 92 2.020 0.094 6.291 668 1HA GLY 92 1HA GLY 92 -0.753 -0.344 7.033 669 2HA GLY 92 2HA GLY 92 -0.461 -0.129 5.319 670 H THR 93 H THR 93 -1.480 -2.544 6.010 671 HA THR 93 HA THR 93 0.690 -4.319 5.331 672 HB THR 93 HB THR 93 -0.925 -4.996 7.817 673 HG1 THR 93 HG1 THR 93 1.596 -3.520 7.500 674 1HG2 THR 93 1HG2 THR 93 1.927 -5.642 6.895 675 2HG2 THR 93 2HG2 THR 93 1.151 -6.247 8.379 676 3HG2 THR 93 3HG2 THR 93 0.544 -6.758 6.787 677 H ILE 94 H ILE 94 -0.137 -6.554 4.848 678 HA ILE 94 HA ILE 94 -2.988 -6.666 4.377 679 HB ILE 94 HB ILE 94 -0.949 -6.560 2.168 680 1HG1 ILE 94 1HG1 ILE 94 -3.572 -5.104 2.613 681 2HG1 ILE 94 2HG1 ILE 94 -1.975 -4.436 2.884 682 1HG2 ILE 94 1HG2 ILE 94 -2.408 -8.605 1.977 683 2HG2 ILE 94 2HG2 ILE 94 -3.804 -7.508 1.851 684 3HG2 ILE 94 3HG2 ILE 94 -2.517 -7.455 0.623 685 1HD1 ILE 94 1HD1 ILE 94 -2.895 -5.542 0.194 686 2HD1 ILE 94 2HD1 ILE 94 -2.982 -3.823 0.645 687 3HD1 ILE 94 3HD1 ILE 94 -1.402 -4.632 0.523 688 H THR 95 H THR 95 -3.723 -8.706 4.745 689 HA THR 95 HA THR 95 -1.664 -10.810 4.883 690 HB THR 95 HB THR 95 -4.292 -10.490 6.429 691 HG1 THR 95 HG1 THR 95 -2.501 -8.970 6.925 692 1HG2 THR 95 1HG2 THR 95 -2.028 -12.525 6.458 693 2HG2 THR 95 2HG2 THR 95 -2.936 -12.168 7.946 694 3HG2 THR 95 3HG2 THR 95 -3.782 -12.820 6.521 695 H VAL 96 H VAL 96 -2.100 -12.869 4.037 696 HA VAL 96 HA VAL 96 -4.481 -12.953 2.319 697 HB VAL 96 HB VAL 96 -1.610 -13.613 1.715 698 1HG1 VAL 96 1HG1 VAL 96 -3.950 -15.118 0.876 699 2HG1 VAL 96 2HG1 VAL 96 -3.115 -14.389 -0.517 700 3HG1 VAL 96 3HG1 VAL 96 -2.223 -15.450 0.599 701 1HG2 VAL 96 1HG2 VAL 96 -3.156 -11.405 1.162 702 2HG2 VAL 96 2HG2 VAL 96 -1.701 -11.897 0.263 703 3HG2 VAL 96 3HG2 VAL 96 -3.315 -12.360 -0.331 704 H GLU 97 H GLU 97 -5.373 -13.986 4.342 705 HA GLU 97 HA GLU 97 -4.263 -16.586 4.882 706 1HB GLU 97 1HB GLU 97 -5.761 -14.640 6.359 707 2HB GLU 97 2HB GLU 97 -6.743 -16.089 6.287 708 1HG GLU 97 1HG GLU 97 -3.796 -16.294 6.979 709 2HG GLU 97 2HG GLU 97 -4.950 -15.824 8.211 Start of MODEL 9 1 H ALA 1 H ALA 1 -14.253 -10.448 -5.313 2 HA ALA 1 HA ALA 1 -15.206 -9.434 -2.880 3 1HB ALA 1 1HB ALA 1 -14.192 -12.286 -2.896 4 2HB ALA 1 2HB ALA 1 -14.009 -11.250 -1.459 5 3HB ALA 1 3HB ALA 1 -15.632 -11.614 -2.093 6 H SER 2 H SER 2 -13.867 -7.717 -3.687 7 HA SER 2 HA SER 2 -11.037 -8.330 -3.356 8 1HB SER 2 1HB SER 2 -12.188 -6.301 -5.318 9 2HB SER 2 2HB SER 2 -10.499 -6.732 -5.138 10 HG SER 2 HG SER 2 -10.787 -8.507 -6.323 11 H VAL 3 H VAL 3 -9.750 -6.614 -2.381 12 HA VAL 3 HA VAL 3 -11.424 -4.648 -0.982 13 HB VAL 3 HB VAL 3 -9.715 -4.664 0.742 14 1HG1 VAL 3 1HG1 VAL 3 -11.569 -6.245 0.942 15 2HG1 VAL 3 2HG1 VAL 3 -10.659 -7.457 0.008 16 3HG1 VAL 3 3HG1 VAL 3 -10.075 -6.946 1.610 17 1HG2 VAL 3 1HG2 VAL 3 -8.316 -6.656 -1.063 18 2HG2 VAL 3 2HG2 VAL 3 -7.706 -5.092 -0.472 19 3HG2 VAL 3 3HG2 VAL 3 -7.923 -6.448 0.660 20 H GLN 4 H GLN 4 -9.833 -2.688 -0.254 21 HA GLN 4 HA GLN 4 -8.088 -2.037 -2.456 22 1HB GLN 4 1HB GLN 4 -9.231 0.294 -2.554 23 2HB GLN 4 2HB GLN 4 -10.023 -1.042 -3.365 24 1HG GLN 4 1HG GLN 4 -11.874 -0.697 -2.104 25 2HG GLN 4 2HG GLN 4 -10.957 -1.094 -0.664 26 1HE2 GLN 4 2HE2 GLN 4 -12.486 1.331 -2.493 27 2HE2 GLN 4 1HE2 GLN 4 -12.095 2.713 -1.525 28 H ILE 5 H ILE 5 -6.717 -0.083 -1.960 29 HA ILE 5 HA ILE 5 -6.554 0.337 0.945 30 HB ILE 5 HB ILE 5 -4.473 -0.377 -1.062 31 1HG1 ILE 5 1HG1 ILE 5 -5.265 -2.101 0.427 32 2HG1 ILE 5 2HG1 ILE 5 -3.610 -1.694 0.841 33 1HG2 ILE 5 1HG2 ILE 5 -4.177 1.736 1.000 34 2HG2 ILE 5 2HG2 ILE 5 -2.877 0.523 0.905 35 3HG2 ILE 5 3HG2 ILE 5 -3.304 1.484 -0.530 36 1HD1 ILE 5 1HD1 ILE 5 -5.114 0.080 2.409 37 2HD1 ILE 5 2HD1 ILE 5 -6.052 -1.431 2.454 38 3HD1 ILE 5 3HD1 ILE 5 -4.349 -1.425 2.971 39 H LYS 6 H LYS 6 -7.048 2.387 1.485 40 HA LYS 6 HA LYS 6 -6.800 4.414 -0.596 41 1HB LYS 6 1HB LYS 6 -8.607 3.921 1.656 42 2HB LYS 6 2HB LYS 6 -8.031 5.575 1.603 43 1HG LYS 6 1HG LYS 6 -8.695 5.712 -0.819 44 2HG LYS 6 2HG LYS 6 -9.310 4.074 -0.731 45 1HD LYS 6 1HD LYS 6 -10.309 6.065 1.304 46 2HD LYS 6 2HD LYS 6 -10.905 6.205 -0.338 47 1HE LYS 6 1HE LYS 6 -12.462 4.666 0.350 48 2HE LYS 6 2HE LYS 6 -11.192 3.504 0.022 49 1HZ LYS 6 1HZ LYS 6 -11.496 4.799 2.636 50 2HZ LYS 6 2HZ LYS 6 -12.218 3.383 2.263 51 3HZ LYS 6 3HZ LYS 6 -10.588 3.491 2.272 52 H MET 7 H MET 7 -5.469 6.217 -0.410 53 HA MET 7 HA MET 7 -3.645 6.079 1.864 54 1HB MET 7 1HB MET 7 -3.279 7.051 -1.019 55 2HB MET 7 2HB MET 7 -2.084 7.352 0.227 56 1HG MET 7 1HG MET 7 -1.723 4.955 0.565 57 2HG MET 7 2HG MET 7 -3.080 4.549 -0.466 58 1HE MET 7 1HE MET 7 -2.373 3.300 -2.312 59 2HE MET 7 2HE MET 7 -3.034 4.722 -3.155 60 3HE MET 7 3HE MET 7 -1.510 3.988 -3.708 61 H GLY 8 H GLY 8 -4.073 7.644 3.359 62 1HA GLY 8 1HA GLY 8 -4.005 9.898 3.982 63 2HA GLY 8 2HA GLY 8 -4.548 10.373 2.385 64 H THR 9 H THR 9 -5.605 10.882 5.240 65 HA THR 9 HA THR 9 -8.284 9.720 4.924 66 HB THR 9 HB THR 9 -8.372 10.712 7.385 67 HG1 THR 9 HG1 THR 9 -5.527 10.242 7.046 68 1HG2 THR 9 1HG2 THR 9 -6.764 8.313 6.438 69 2HG2 THR 9 2HG2 THR 9 -6.774 8.746 8.165 70 3HG2 THR 9 3HG2 THR 9 -8.298 8.338 7.341 71 H ASP 10 H ASP 10 -10.174 11.083 5.261 72 HA ASP 10 HA ASP 10 -10.155 13.244 3.620 73 1HB ASP 10 1HB ASP 10 -12.075 11.842 4.917 74 2HB ASP 10 2HB ASP 10 -12.050 13.248 5.963 75 H LYS 11 H LYS 11 -9.031 12.909 6.912 76 HA LYS 11 HA LYS 11 -9.271 15.742 7.488 77 1HB LYS 11 1HB LYS 11 -8.830 13.266 9.023 78 2HB LYS 11 2HB LYS 11 -7.860 14.620 9.563 79 1HG LYS 11 1HG LYS 11 -10.578 15.517 8.986 80 2HG LYS 11 2HG LYS 11 -10.623 14.152 10.085 81 1HD LYS 11 1HD LYS 11 -8.531 15.674 11.125 82 2HD LYS 11 2HD LYS 11 -9.629 16.909 10.544 83 1HE LYS 11 1HE LYS 11 -11.191 16.458 12.158 84 2HE LYS 11 2HE LYS 11 -11.025 14.723 11.969 85 1HZ LYS 11 1HZ LYS 11 -8.686 15.745 13.088 86 2HZ LYS 11 2HZ LYS 11 -9.955 16.301 13.953 87 3HZ LYS 11 3HZ LYS 11 -9.750 14.694 13.744 88 H TYR 12 H TYR 12 -7.759 15.199 5.162 89 HA TYR 12 HA TYR 12 -5.709 15.346 4.260 90 1HB TYR 12 1HB TYR 12 -5.537 17.401 6.552 91 2HB TYR 12 2HB TYR 12 -4.627 17.491 5.057 92 HD1 TYR 12 HD1 TYR 12 -5.831 17.950 2.894 93 HD2 TYR 12 HD2 TYR 12 -7.788 18.207 6.690 94 HE1 TYR 12 HE1 TYR 12 -7.702 19.318 1.845 95 HE2 TYR 12 HE2 TYR 12 -9.651 19.573 5.629 96 HH TYR 12 HH TYR 12 -9.452 20.566 2.241 97 H ALA 13 H ALA 13 -5.875 13.390 6.530 98 HA ALA 13 HA ALA 13 -3.189 13.668 7.656 99 1HB ALA 13 1HB ALA 13 -5.758 12.552 8.533 100 2HB ALA 13 2HB ALA 13 -4.405 11.421 8.769 101 3HB ALA 13 3HB ALA 13 -4.344 13.046 9.493 102 HA PRO 14 HA PRO 14 -1.971 10.737 4.650 103 1HB PRO 14 1HB PRO 14 0.702 10.743 5.223 104 2HB PRO 14 2HB PRO 14 -0.052 11.908 4.152 105 1HG PRO 14 1HG PRO 14 0.892 12.283 6.928 106 2HG PRO 14 2HG PRO 14 0.539 13.498 5.716 107 1HD PRO 14 1HD PRO 14 -1.105 12.777 7.952 108 2HD PRO 14 2HD PRO 14 -1.509 13.907 6.675 109 H LEU 15 H LEU 15 -2.903 8.808 5.089 110 HA LEU 15 HA LEU 15 -1.235 6.985 6.490 111 1HB LEU 15 1HB LEU 15 -2.805 6.418 8.274 112 2HB LEU 15 2HB LEU 15 -2.130 8.026 8.443 113 HG LEU 15 HG LEU 15 -4.476 8.512 7.065 114 1HD1 LEU 15 1HD1 LEU 15 -4.740 5.952 8.426 115 2HD1 LEU 15 2HD1 LEU 15 -5.922 7.149 9.006 116 3HD1 LEU 15 3HD1 LEU 15 -5.829 6.757 7.273 117 1HD2 LEU 15 1HD2 LEU 15 -3.421 9.706 9.032 118 2HD2 LEU 15 2HD2 LEU 15 -5.199 9.609 9.034 119 3HD2 LEU 15 3HD2 LEU 15 -4.248 8.527 10.080 120 H TYR 16 H TYR 16 -1.910 4.787 6.142 121 HA TYR 16 HA TYR 16 -3.516 4.534 3.778 122 1HB TYR 16 1HB TYR 16 -1.842 2.833 5.680 123 2HB TYR 16 2HB TYR 16 -2.917 2.001 4.575 124 HD1 TYR 16 HD1 TYR 16 -2.702 2.725 2.029 125 HD2 TYR 16 HD2 TYR 16 0.330 3.316 4.990 126 HE1 TYR 16 HE1 TYR 16 -0.939 2.884 0.203 127 HE2 TYR 16 HE2 TYR 16 2.082 3.473 3.154 128 HH TYR 16 HH TYR 16 2.265 3.950 0.880 129 H GLU 17 H GLU 17 -5.618 3.866 3.608 130 HA GLU 17 HA GLU 17 -6.822 2.873 6.072 131 1HB GLU 17 1HB GLU 17 -7.427 5.298 5.386 132 2HB GLU 17 2HB GLU 17 -8.299 4.589 4.043 133 1HG GLU 17 1HG GLU 17 -9.731 3.303 5.571 134 2HG GLU 17 2HG GLU 17 -8.781 3.806 6.954 135 HA PRO 18 HA PRO 18 -8.077 1.780 6.734 136 1HB PRO 18 1HB PRO 18 -8.218 -0.825 7.549 137 2HB PRO 18 2HB PRO 18 -9.631 0.132 7.148 138 1HG PRO 18 1HG PRO 18 -8.337 -2.010 5.575 139 2HG PRO 18 2HG PRO 18 -9.951 -1.349 5.409 140 1HD PRO 18 1HD PRO 18 -7.689 -0.799 3.732 141 2HD PRO 18 2HD PRO 18 -9.271 -0.051 3.638 142 H LYS 19 H LYS 19 -6.849 0.877 8.749 143 HA LYS 19 HA LYS 19 -4.137 1.293 8.123 144 1HB LYS 19 1HB LYS 19 -5.769 1.273 10.418 145 2HB LYS 19 2HB LYS 19 -4.561 0.036 10.700 146 1HG LYS 19 1HG LYS 19 -3.560 2.606 9.522 147 2HG LYS 19 2HG LYS 19 -4.130 2.690 11.176 148 1HD LYS 19 1HD LYS 19 -2.589 0.344 11.152 149 2HD LYS 19 2HD LYS 19 -1.693 1.419 10.099 150 1HE LYS 19 1HE LYS 19 -1.552 3.132 11.831 151 2HE LYS 19 2HE LYS 19 -2.686 2.274 12.855 152 1HZ LYS 19 1HZ LYS 19 -0.078 1.196 12.039 153 2HZ LYS 19 2HZ LYS 19 -0.363 1.935 13.467 154 3HZ LYS 19 3HZ LYS 19 -1.111 0.527 13.111 155 H ALA 20 H ALA 20 -6.174 -1.612 8.617 156 HA ALA 20 HA ALA 20 -3.895 -3.195 7.665 157 1HB ALA 20 1HB ALA 20 -5.773 -3.813 9.977 158 2HB ALA 20 2HB ALA 20 -4.674 -5.002 9.239 159 3HB ALA 20 3HB ALA 20 -4.012 -3.567 10.054 160 H LEU 21 H LEU 21 -4.568 -5.211 6.558 161 HA LEU 21 HA LEU 21 -7.369 -5.334 5.828 162 1HB LEU 21 1HB LEU 21 -6.805 -3.882 4.134 163 2HB LEU 21 2HB LEU 21 -5.178 -4.512 3.972 164 HG LEU 21 HG LEU 21 -6.144 -6.599 2.967 165 1HD1 LEU 21 1HD1 LEU 21 -8.506 -5.853 4.018 166 2HD1 LEU 21 2HD1 LEU 21 -8.700 -5.219 2.366 167 3HD1 LEU 21 3HD1 LEU 21 -8.350 -6.946 2.622 168 1HD2 LEU 21 1HD2 LEU 21 -5.368 -4.372 1.760 169 2HD2 LEU 21 2HD2 LEU 21 -6.066 -5.736 0.856 170 3HD2 LEU 21 3HD2 LEU 21 -7.078 -4.330 1.266 171 H SER 22 H SER 22 -7.993 -7.417 5.060 172 HA SER 22 HA SER 22 -5.843 -9.376 5.164 173 1HB SER 22 1HB SER 22 -7.235 -9.285 7.310 174 2HB SER 22 2HB SER 22 -8.610 -9.816 6.362 175 HG SER 22 HG SER 22 -7.489 -11.766 5.840 176 H ILE 23 H ILE 23 -6.109 -11.183 3.726 177 HA ILE 23 HA ILE 23 -8.549 -11.392 2.218 178 HB ILE 23 HB ILE 23 -7.462 -11.099 0.041 179 1HG1 ILE 23 1HG1 ILE 23 -5.129 -9.815 1.466 180 2HG1 ILE 23 2HG1 ILE 23 -5.114 -11.509 1.019 181 1HG2 ILE 23 1HG2 ILE 23 -8.765 -9.284 1.106 182 2HG2 ILE 23 2HG2 ILE 23 -7.257 -8.630 1.786 183 3HG2 ILE 23 3HG2 ILE 23 -7.487 -8.683 0.022 184 1HD1 ILE 23 1HD1 ILE 23 -6.013 -9.721 -1.171 185 2HD1 ILE 23 2HD1 ILE 23 -4.340 -9.433 -0.636 186 3HD1 ILE 23 3HD1 ILE 23 -4.828 -11.050 -1.201 187 H SER 24 H SER 24 -7.815 -13.110 0.237 188 HA SER 24 HA SER 24 -6.376 -15.175 1.713 189 1HB SER 24 1HB SER 24 -8.668 -15.615 -0.250 190 2HB SER 24 2HB SER 24 -7.864 -16.847 0.702 191 HG SER 24 HG SER 24 -8.611 -15.596 2.644 192 H ALA 25 H ALA 25 -5.400 -16.899 0.195 193 HA ALA 25 HA ALA 25 -3.795 -15.621 -1.714 194 1HB ALA 25 1HB ALA 25 -4.349 -18.470 -0.883 195 2HB ALA 25 2HB ALA 25 -3.328 -18.134 -2.302 196 3HB ALA 25 3HB ALA 25 -2.860 -17.511 -0.702 197 H GLY 26 H GLY 26 -4.646 -14.702 -3.530 198 1HA GLY 26 1HA GLY 26 -5.262 -15.461 -5.804 199 2HA GLY 26 2HA GLY 26 -6.589 -16.329 -5.060 200 H ASP 27 H ASP 27 -6.412 -13.733 -3.074 201 HA ASP 27 HA ASP 27 -8.579 -12.470 -4.409 202 1HB ASP 27 1HB ASP 27 -7.093 -11.974 -1.799 203 2HB ASP 27 2HB ASP 27 -8.342 -10.876 -2.352 204 H THR 28 H THR 28 -8.493 -9.850 -4.318 205 HA THR 28 HA THR 28 -5.841 -9.012 -5.292 206 HB THR 28 HB THR 28 -8.578 -8.082 -6.299 207 HG1 THR 28 HG1 THR 28 -8.148 -9.653 -7.954 208 1HG2 THR 28 1HG2 THR 28 -5.758 -7.365 -6.863 209 2HG2 THR 28 2HG2 THR 28 -6.646 -7.881 -8.316 210 3HG2 THR 28 3HG2 THR 28 -7.251 -6.521 -7.341 211 H VAL 29 H VAL 29 -5.322 -6.729 -4.995 212 HA VAL 29 HA VAL 29 -6.917 -5.459 -2.900 213 HB VAL 29 HB VAL 29 -3.951 -6.028 -2.817 214 1HG1 VAL 29 1HG1 VAL 29 -5.151 -3.670 -1.980 215 2HG1 VAL 29 2HG1 VAL 29 -5.081 -4.649 -0.494 216 3HG1 VAL 29 3HG1 VAL 29 -3.593 -4.317 -1.413 217 1HG2 VAL 29 1HG2 VAL 29 -6.350 -7.029 -1.343 218 2HG2 VAL 29 2HG2 VAL 29 -4.871 -7.883 -1.845 219 3HG2 VAL 29 3HG2 VAL 29 -4.842 -6.811 -0.425 220 H GLU 30 H GLU 30 -7.592 -3.594 -3.823 221 HA GLU 30 HA GLU 30 -5.971 -2.434 -5.881 222 1HB GLU 30 1HB GLU 30 -8.479 -2.608 -6.044 223 2HB GLU 30 2HB GLU 30 -8.621 -1.477 -4.713 224 1HG GLU 30 1HG GLU 30 -7.715 0.328 -5.977 225 2HG GLU 30 2HG GLU 30 -6.973 -0.740 -7.152 226 H PHE 31 H PHE 31 -5.718 0.092 -5.822 227 HA PHE 31 HA PHE 31 -5.300 1.045 -3.104 228 1HB PHE 31 1HB PHE 31 -3.258 0.792 -5.385 229 2HB PHE 31 2HB PHE 31 -2.993 1.883 -4.040 230 HD1 PHE 31 HD1 PHE 31 -3.626 -1.700 -4.811 231 HD2 PHE 31 HD2 PHE 31 -1.978 1.108 -2.089 232 HE1 PHE 31 HE1 PHE 31 -2.613 -3.577 -3.487 233 HE2 PHE 31 HE2 PHE 31 -0.966 -0.769 -0.766 234 HZ PHE 31 HZ PHE 31 -1.295 -3.089 -1.480 235 H VAL 32 H VAL 32 -6.295 2.994 -2.971 236 HA VAL 32 HA VAL 32 -6.224 4.676 -5.380 237 HB VAL 32 HB VAL 32 -8.439 3.571 -4.816 238 1HG1 VAL 32 1HG1 VAL 32 -7.922 4.347 -2.253 239 2HG1 VAL 32 2HG1 VAL 32 -9.004 5.653 -2.792 240 3HG1 VAL 32 3HG1 VAL 32 -9.541 3.958 -2.882 241 1HG2 VAL 32 1HG2 VAL 32 -7.869 6.402 -5.411 242 2HG2 VAL 32 2HG2 VAL 32 -8.911 5.235 -6.259 243 3HG2 VAL 32 3HG2 VAL 32 -9.519 6.092 -4.822 244 H MET 33 H MET 33 -5.988 6.953 -5.018 245 HA MET 33 HA MET 33 -4.748 7.470 -2.449 246 1HB MET 33 1HB MET 33 -4.410 8.387 -5.251 247 2HB MET 33 2HB MET 33 -4.413 9.725 -4.121 248 1HG MET 33 1HG MET 33 -2.676 8.436 -2.737 249 2HG MET 33 2HG MET 33 -2.580 7.283 -4.053 250 1HE MET 33 1HE MET 33 -2.954 10.900 -3.340 251 2HE MET 33 2HE MET 33 -1.583 11.717 -4.126 252 3HE MET 33 3HE MET 33 -3.038 11.314 -5.069 253 H ASN 34 H ASN 34 -5.877 8.546 -0.893 254 HA ASN 34 HA ASN 34 -8.373 9.694 -1.572 255 1HB ASN 34 1HB ASN 34 -6.837 9.039 0.887 256 2HB ASN 34 2HB ASN 34 -7.778 10.509 1.049 257 1HD2 ASN 34 2HD2 ASN 34 -9.449 9.939 2.247 258 2HD2 ASN 34 1HD2 ASN 34 -10.579 8.671 1.906 259 H LYS 35 H LYS 35 -5.448 10.985 0.199 260 HA LYS 35 HA LYS 35 -5.173 13.243 -1.434 261 1HB LYS 35 1HB LYS 35 -5.958 14.988 0.132 262 2HB LYS 35 2HB LYS 35 -7.261 14.015 -0.519 263 1HG LYS 35 1HG LYS 35 -6.193 12.830 1.947 264 2HG LYS 35 2HG LYS 35 -6.701 14.486 2.214 265 1HD LYS 35 1HD LYS 35 -8.447 12.392 0.839 266 2HD LYS 35 2HD LYS 35 -8.525 12.739 2.555 267 1HE LYS 35 1HE LYS 35 -9.763 14.620 2.215 268 2HE LYS 35 2HE LYS 35 -8.656 15.218 0.996 269 1HZ LYS 35 1HZ LYS 35 -9.753 13.426 -0.446 270 2HZ LYS 35 2HZ LYS 35 -10.964 13.479 0.649 271 3HZ LYS 35 3HZ LYS 35 -10.554 14.824 -0.181 272 H VAL 36 H VAL 36 -4.003 15.041 0.376 273 HA VAL 36 HA VAL 36 -2.135 15.407 1.494 274 HB VAL 36 HB VAL 36 -2.329 12.620 2.623 275 1HG1 VAL 36 1HG1 VAL 36 -0.325 14.000 3.159 276 2HG1 VAL 36 2HG1 VAL 36 -1.399 15.227 3.872 277 3HG1 VAL 36 3HG1 VAL 36 -1.307 13.600 4.589 278 1HG2 VAL 36 1HG2 VAL 36 -4.569 13.756 2.662 279 2HG2 VAL 36 2HG2 VAL 36 -3.906 13.378 4.270 280 3HG2 VAL 36 3HG2 VAL 36 -3.838 15.045 3.647 281 H GLY 37 H GLY 37 -2.258 13.990 -1.207 282 1HA GLY 37 1HA GLY 37 0.069 12.287 -1.253 283 2HA GLY 37 2HA GLY 37 -0.898 12.824 -2.612 284 HA PRO 38 HA PRO 38 0.447 12.363 -3.876 285 1HB PRO 38 1HB PRO 38 2.791 11.844 -5.181 286 2HB PRO 38 2HB PRO 38 1.545 12.893 -5.828 287 1HG PRO 38 1HG PRO 38 4.139 13.627 -4.615 288 2HG PRO 38 2HG PRO 38 3.091 14.594 -5.633 289 1HD PRO 38 1HD PRO 38 3.390 14.805 -2.788 290 2HD PRO 38 2HD PRO 38 2.259 15.691 -3.792 291 H HIS 39 H HIS 39 1.079 10.032 -4.018 292 HA HIS 39 HA HIS 39 2.784 9.414 -1.723 293 1HB HIS 39 1HB HIS 39 0.207 7.956 -2.352 294 2HB HIS 39 2HB HIS 39 1.260 7.712 -0.973 295 HD2 HIS 39 HD2 HIS 39 -1.653 10.020 -2.094 296 HE1 HIS 39 HE1 HIS 39 -0.415 11.330 1.761 297 HE2 HIS 39 HE2 HIS 39 -2.159 11.569 -0.135 298 H ASN 40 H ASN 40 2.027 6.483 -2.248 299 HA ASN 40 HA ASN 40 2.572 5.761 -4.806 300 1HB ASN 40 1HB ASN 40 5.030 5.082 -4.604 301 2HB ASN 40 2HB ASN 40 4.766 6.811 -4.707 302 1HD2 ASN 40 2HD2 ASN 40 6.053 4.244 -2.918 303 2HD2 ASN 40 1HD2 ASN 40 6.544 5.094 -1.490 304 H VAL 41 H VAL 41 4.012 3.403 -4.579 305 HA VAL 41 HA VAL 41 3.015 2.121 -2.136 306 HB VAL 41 HB VAL 41 2.904 0.825 -4.852 307 1HG1 VAL 41 1HG1 VAL 41 2.075 0.138 -2.087 308 2HG1 VAL 41 2HG1 VAL 41 0.927 -0.291 -3.378 309 3HG1 VAL 41 3HG1 VAL 41 2.594 -0.911 -3.427 310 1HG2 VAL 41 1HG2 VAL 41 0.693 2.396 -3.486 311 2HG2 VAL 41 2HG2 VAL 41 1.524 2.833 -4.998 312 3HG2 VAL 41 3HG2 VAL 41 0.498 1.380 -4.933 313 H ILE 42 H ILE 42 5.011 1.969 -1.123 314 HA ILE 42 HA ILE 42 7.024 0.444 -2.627 315 HB ILE 42 HB ILE 42 7.338 2.793 -0.776 316 1HG1 ILE 42 1HG1 ILE 42 7.135 2.739 -3.463 317 2HG1 ILE 42 2HG1 ILE 42 8.060 3.935 -2.578 318 1HG2 ILE 42 1HG2 ILE 42 9.479 0.807 -1.585 319 2HG2 ILE 42 2HG2 ILE 42 9.765 2.371 -0.785 320 3HG2 ILE 42 3HG2 ILE 42 8.856 1.094 0.058 321 1HD1 ILE 42 1HD1 ILE 42 9.192 1.332 -3.706 322 2HD1 ILE 42 2HD1 ILE 42 9.392 2.946 -4.430 323 3HD1 ILE 42 3HD1 ILE 42 10.122 2.583 -2.847 324 H PHE 43 H PHE 43 6.311 -1.584 -1.884 325 HA PHE 43 HA PHE 43 5.528 -2.171 0.680 326 1HB PHE 43 1HB PHE 43 7.068 -3.715 -1.485 327 2HB PHE 43 2HB PHE 43 6.457 -4.512 -0.049 328 HD1 PHE 43 HD1 PHE 43 5.522 -2.866 -3.189 329 HD2 PHE 43 HD2 PHE 43 4.097 -4.940 0.227 330 HE1 PHE 43 HE1 PHE 43 3.304 -3.199 -4.317 331 HE2 PHE 43 HE2 PHE 43 1.879 -5.273 -0.900 332 HZ PHE 43 HZ PHE 43 1.509 -4.399 -3.159 333 H ASP 44 H ASP 44 6.697 -3.507 2.353 334 HA ASP 44 HA ASP 44 9.311 -2.333 2.728 335 1HB ASP 44 1HB ASP 44 7.289 -2.494 4.466 336 2HB ASP 44 2HB ASP 44 7.917 -4.107 4.746 337 H LYS 45 H LYS 45 7.556 -5.519 2.949 338 HA LYS 45 HA LYS 45 9.347 -7.022 1.565 339 1HB LYS 45 1HB LYS 45 10.462 -6.283 4.122 340 2HB LYS 45 2HB LYS 45 10.205 -8.016 4.075 341 1HG LYS 45 1HG LYS 45 11.295 -7.879 1.677 342 2HG LYS 45 2HG LYS 45 11.876 -6.311 2.200 343 1HD LYS 45 1HD LYS 45 12.731 -7.591 4.338 344 2HD LYS 45 2HD LYS 45 12.517 -9.038 3.371 345 1HE LYS 45 1HE LYS 45 14.000 -8.051 1.595 346 2HE LYS 45 2HE LYS 45 14.238 -6.633 2.596 347 1HZ LYS 45 1HZ LYS 45 14.745 -8.992 4.048 348 2HZ LYS 45 2HZ LYS 45 15.664 -8.942 2.699 349 3HZ LYS 45 3HZ LYS 45 15.729 -7.717 3.778 350 H VAL 46 H VAL 46 8.868 -9.351 1.732 351 HA VAL 46 HA VAL 46 6.518 -9.908 3.386 352 HB VAL 46 HB VAL 46 6.416 -9.409 0.653 353 1HG1 VAL 46 1HG1 VAL 46 7.487 -11.569 0.190 354 2HG1 VAL 46 2HG1 VAL 46 6.230 -12.403 1.135 355 3HG1 VAL 46 3HG1 VAL 46 5.798 -11.555 -0.368 356 1HG2 VAL 46 1HG2 VAL 46 4.643 -10.337 2.796 357 2HG2 VAL 46 2HG2 VAL 46 4.355 -9.151 1.502 358 3HG2 VAL 46 3HG2 VAL 46 4.139 -10.889 1.181 359 HA PRO 47 HA PRO 47 8.531 -13.666 4.091 360 1HB PRO 47 1HB PRO 47 6.493 -15.463 4.383 361 2HB PRO 47 2HB PRO 47 6.969 -14.341 5.642 362 1HG PRO 47 1HG PRO 47 4.607 -14.242 3.867 363 2HG PRO 47 2HG PRO 47 4.880 -13.398 5.379 364 1HD PRO 47 1HD PRO 47 5.053 -12.289 2.740 365 2HD PRO 47 2HD PRO 47 5.439 -11.478 4.244 366 H ALA 48 H ALA 48 9.204 -15.811 3.382 367 HA ALA 48 HA ALA 48 9.733 -15.923 0.756 368 1HB ALA 48 1HB ALA 48 9.797 -17.692 3.012 369 2HB ALA 48 2HB ALA 48 9.185 -18.602 1.610 370 3HB ALA 48 3HB ALA 48 10.756 -17.771 1.514 371 H GLY 49 H GLY 49 8.519 -15.890 -1.062 372 1HA GLY 49 1HA GLY 49 6.675 -17.600 -1.923 373 2HA GLY 49 2HA GLY 49 5.696 -16.585 -0.883 374 H GLU 50 H GLU 50 5.790 -14.156 -1.265 375 HA GLU 50 HA GLU 50 5.725 -13.746 -4.108 376 1HB GLU 50 1HB GLU 50 4.175 -12.830 -1.977 377 2HB GLU 50 2HB GLU 50 5.141 -11.423 -2.377 378 1HG GLU 50 1HG GLU 50 4.112 -12.792 -4.783 379 2HG GLU 50 2HG GLU 50 2.824 -12.272 -3.715 380 H SER 51 H SER 51 6.349 -11.053 -4.414 381 HA SER 51 HA SER 51 9.093 -10.926 -3.437 382 1HB SER 51 1HB SER 51 9.763 -9.960 -5.629 383 2HB SER 51 2HB SER 51 9.150 -11.594 -5.793 384 HG SER 51 HG SER 51 8.341 -9.601 -7.219 385 H ALA 52 H ALA 52 8.056 -9.555 -1.723 386 HA ALA 52 HA ALA 52 6.550 -7.320 -2.170 387 1HB ALA 52 1HB ALA 52 8.266 -8.419 -0.069 388 2HB ALA 52 2HB ALA 52 8.271 -6.639 -0.074 389 3HB ALA 52 3HB ALA 52 6.733 -7.524 0.067 390 HA PRO 53 HA PRO 53 10.565 -4.931 -2.928 391 1HB PRO 53 1HB PRO 53 12.924 -6.272 -3.252 392 2HB PRO 53 2HB PRO 53 12.417 -5.581 -1.724 393 1HG PRO 53 1HG PRO 53 12.435 -8.417 -2.561 394 2HG PRO 53 2HG PRO 53 12.345 -7.750 -0.943 395 1HD PRO 53 1HD PRO 53 10.182 -8.863 -2.464 396 2HD PRO 53 2HD PRO 53 10.072 -8.092 -0.893 397 H ALA 54 H ALA 54 8.749 -5.757 -4.710 398 HA ALA 54 HA ALA 54 10.297 -5.500 -7.120 399 1HB ALA 54 1HB ALA 54 9.325 -8.095 -6.197 400 2HB ALA 54 2HB ALA 54 8.606 -7.646 -7.762 401 3HB ALA 54 3HB ALA 54 10.375 -7.703 -7.579 402 H LEU 55 H LEU 55 7.102 -6.158 -5.557 403 HA LEU 55 HA LEU 55 5.603 -5.061 -7.677 404 1HB LEU 55 1HB LEU 55 5.085 -5.868 -4.848 405 2HB LEU 55 2HB LEU 55 3.892 -4.889 -5.677 406 HG LEU 55 HG LEU 55 4.936 -7.511 -6.771 407 1HD1 LEU 55 1HD1 LEU 55 3.747 -7.623 -4.490 408 2HD1 LEU 55 2HD1 LEU 55 2.275 -7.192 -5.396 409 3HD1 LEU 55 3HD1 LEU 55 3.166 -8.679 -5.800 410 1HD2 LEU 55 1HD2 LEU 55 3.329 -5.439 -7.888 411 2HD2 LEU 55 2HD2 LEU 55 3.789 -7.006 -8.598 412 3HD2 LEU 55 3HD2 LEU 55 2.298 -6.868 -7.636 413 H SER 56 H SER 56 7.369 -3.707 -4.930 414 HA SER 56 HA SER 56 6.138 -1.399 -4.450 415 1HB SER 56 1HB SER 56 9.140 -1.559 -4.937 416 2HB SER 56 2HB SER 56 8.304 -0.475 -3.844 417 HG SER 56 HG SER 56 9.276 -2.320 -2.749 418 H ASN 57 H ASN 57 6.153 0.774 -5.335 419 HA ASN 57 HA ASN 57 7.203 0.951 -8.035 420 1HB ASN 57 1HB ASN 57 4.558 0.500 -7.736 421 2HB ASN 57 2HB ASN 57 4.525 2.223 -7.416 422 1HD2 ASN 57 2HD2 ASN 57 3.431 0.678 -9.635 423 2HD2 ASN 57 1HD2 ASN 57 4.099 1.325 -11.097 424 H THR 58 H THR 58 8.667 2.659 -7.839 425 HA THR 58 HA THR 58 8.113 4.755 -5.893 426 HB THR 58 HB THR 58 10.352 3.560 -6.058 427 HG1 THR 58 HG1 THR 58 9.858 5.930 -5.441 428 1HG2 THR 58 1HG2 THR 58 10.448 5.104 -8.704 429 2HG2 THR 58 2HG2 THR 58 11.867 4.389 -7.902 430 3HG2 THR 58 3HG2 THR 58 10.569 3.338 -8.517 431 H LYS 59 H LYS 59 6.318 4.584 -8.154 432 HA LYS 59 HA LYS 59 7.162 6.949 -9.668 433 1HB LYS 59 1HB LYS 59 6.702 4.953 -11.017 434 2HB LYS 59 2HB LYS 59 5.096 4.829 -10.327 435 1HG LYS 59 1HG LYS 59 4.853 7.346 -11.169 436 2HG LYS 59 2HG LYS 59 6.184 6.921 -12.227 437 1HD LYS 59 1HD LYS 59 4.115 4.829 -12.208 438 2HD LYS 59 2HD LYS 59 3.449 6.384 -12.667 439 1HE LYS 59 1HE LYS 59 4.565 6.414 -14.669 440 2HE LYS 59 2HE LYS 59 6.055 5.826 -13.959 441 1HZ LYS 59 1HZ LYS 59 3.718 4.135 -14.522 442 2HZ LYS 59 2HZ LYS 59 5.033 4.252 -15.484 443 3HZ LYS 59 3HZ LYS 59 5.173 3.623 -13.984 444 H LEU 60 H LEU 60 6.640 7.978 -7.414 445 HA LEU 60 HA LEU 60 4.117 8.125 -6.395 446 1HB LEU 60 1HB LEU 60 4.927 10.579 -5.856 447 2HB LEU 60 2HB LEU 60 5.586 9.167 -5.055 448 HG LEU 60 HG LEU 60 7.022 9.923 -7.515 449 1HD1 LEU 60 1HD1 LEU 60 6.808 11.850 -5.201 450 2HD1 LEU 60 2HD1 LEU 60 8.217 11.811 -6.287 451 3HD1 LEU 60 3HD1 LEU 60 6.599 12.163 -6.940 452 1HD2 LEU 60 1HD2 LEU 60 7.583 8.236 -5.572 453 2HD2 LEU 60 2HD2 LEU 60 8.867 9.159 -6.388 454 3HD2 LEU 60 3HD2 LEU 60 8.261 9.689 -4.800 455 H ALA 61 H ALA 61 2.192 8.611 -7.288 456 HA ALA 61 HA ALA 61 2.212 10.607 -9.450 457 1HB ALA 61 1HB ALA 61 0.863 7.938 -9.157 458 2HB ALA 61 2HB ALA 61 0.013 9.229 -10.040 459 3HB ALA 61 3HB ALA 61 1.615 8.681 -10.589 460 H ILE 62 H ILE 62 1.310 12.482 -8.777 461 HA ILE 62 HA ILE 62 -0.311 12.509 -6.420 462 HB ILE 62 HB ILE 62 1.427 14.230 -7.315 463 1HG1 ILE 62 1HG1 ILE 62 0.501 14.649 -5.227 464 2HG1 ILE 62 2HG1 ILE 62 0.058 16.073 -6.148 465 1HG2 ILE 62 1HG2 ILE 62 0.108 14.500 -9.483 466 2HG2 ILE 62 2HG2 ILE 62 -1.053 15.452 -8.526 467 3HG2 ILE 62 3HG2 ILE 62 0.639 15.987 -8.662 468 1HD1 ILE 62 1HD1 ILE 62 -2.159 14.840 -6.695 469 2HD1 ILE 62 2HD1 ILE 62 -1.698 13.708 -5.400 470 3HD1 ILE 62 3HD1 ILE 62 -1.947 15.431 -5.029 471 H ALA 63 H ALA 63 -0.788 12.840 -9.969 472 HA ALA 63 HA ALA 63 -3.336 13.733 -10.090 473 1HB ALA 63 1HB ALA 63 -2.035 11.505 -11.709 474 2HB ALA 63 2HB ALA 63 -3.491 12.407 -12.191 475 3HB ALA 63 3HB ALA 63 -1.931 13.251 -12.039 476 HA PRO 64 HA PRO 64 -5.350 10.592 -7.753 477 1HB PRO 64 1HB PRO 64 -7.656 11.981 -7.284 478 2HB PRO 64 2HB PRO 64 -6.244 12.092 -6.252 479 1HG PRO 64 1HG PRO 64 -7.253 14.045 -8.227 480 2HG PRO 64 2HG PRO 64 -6.126 14.299 -6.909 481 1HD PRO 64 1HD PRO 64 -5.485 14.060 -9.695 482 2HD PRO 64 2HD PRO 64 -4.350 14.197 -8.365 483 H GLY 65 H GLY 65 -6.362 8.802 -8.427 484 1HA GLY 65 1HA GLY 65 -8.695 8.814 -9.914 485 2HA GLY 65 2HA GLY 65 -7.386 8.800 -11.079 486 H SER 66 H SER 66 -7.369 7.338 -7.777 487 HA SER 66 HA SER 66 -7.093 5.301 -7.083 488 1HB SER 66 1HB SER 66 -9.256 4.867 -8.219 489 2HB SER 66 2HB SER 66 -8.415 4.486 -9.708 490 HG SER 66 HG SER 66 -8.922 2.870 -7.542 491 H PHE 67 H PHE 67 -4.820 5.181 -7.042 492 HA PHE 67 HA PHE 67 -3.040 5.155 -9.001 493 1HB PHE 67 1HB PHE 67 -3.379 3.941 -6.316 494 2HB PHE 67 2HB PHE 67 -2.270 2.997 -7.291 495 HD1 PHE 67 HD1 PHE 67 -0.568 4.651 -8.684 496 HD2 PHE 67 HD2 PHE 67 -2.375 5.474 -4.935 497 HE1 PHE 67 HE1 PHE 67 1.278 6.265 -8.149 498 HE2 PHE 67 HE2 PHE 67 -0.529 7.088 -4.400 499 HZ PHE 67 HZ PHE 67 1.275 7.464 -6.013 500 H TYR 68 H TYR 68 -3.889 1.913 -7.639 501 HA TYR 68 HA TYR 68 -4.852 0.791 -9.989 502 1HB TYR 68 1HB TYR 68 -2.690 -0.491 -10.562 503 2HB TYR 68 2HB TYR 68 -2.592 1.226 -10.896 504 HD1 TYR 68 HD1 TYR 68 -1.546 -1.441 -8.549 505 HD2 TYR 68 HD2 TYR 68 -1.057 2.647 -9.709 506 HE1 TYR 68 HE1 TYR 68 0.528 -1.268 -7.088 507 HE2 TYR 68 HE2 TYR 68 1.014 2.808 -8.244 508 HH TYR 68 HH TYR 68 2.281 -0.050 -6.593 509 H SER 69 H SER 69 -4.389 -1.782 -9.905 510 HA SER 69 HA SER 69 -4.414 -2.496 -7.079 511 1HB SER 69 1HB SER 69 -6.704 -2.640 -7.718 512 2HB SER 69 2HB SER 69 -6.321 -3.313 -9.290 513 HG SER 69 HG SER 69 -6.695 -4.603 -6.855 514 H VAL 70 H VAL 70 -4.375 -5.189 -7.097 515 HA VAL 70 HA VAL 70 -2.910 -6.386 -9.168 516 HB VAL 70 HB VAL 70 -0.849 -6.696 -7.527 517 1HG1 VAL 70 1HG1 VAL 70 -1.279 -5.448 -9.927 518 2HG1 VAL 70 2HG1 VAL 70 -0.641 -4.112 -8.937 519 3HG1 VAL 70 3HG1 VAL 70 0.305 -5.608 -9.130 520 1HG2 VAL 70 1HG2 VAL 70 -1.890 -3.928 -6.837 521 2HG2 VAL 70 2HG2 VAL 70 -1.697 -5.305 -5.725 522 3HG2 VAL 70 3HG2 VAL 70 -0.264 -4.537 -6.449 523 H THR 71 H THR 71 -2.955 -8.622 -8.914 524 HA THR 71 HA THR 71 -4.349 -9.525 -6.505 525 HB THR 71 HB THR 71 -3.821 -10.899 -9.193 526 HG1 THR 71 HG1 THR 71 -6.229 -10.232 -9.269 527 1HG2 THR 71 1HG2 THR 71 -4.504 -12.327 -7.112 528 2HG2 THR 71 2HG2 THR 71 -6.042 -11.432 -7.170 529 3HG2 THR 71 3HG2 THR 71 -5.547 -12.443 -8.550 530 H LEU 72 H LEU 72 -3.666 -11.397 -5.324 531 HA LEU 72 HA LEU 72 -0.784 -11.886 -5.630 532 1HB LEU 72 1HB LEU 72 -2.420 -11.595 -3.109 533 2HB LEU 72 2HB LEU 72 -0.788 -12.232 -3.148 534 HG LEU 72 HG LEU 72 -1.460 -9.487 -4.221 535 1HD1 LEU 72 1HD1 LEU 72 -1.536 -10.357 -1.475 536 2HD1 LEU 72 2HD1 LEU 72 -0.209 -9.196 -1.717 537 3HD1 LEU 72 3HD1 LEU 72 -1.873 -8.753 -2.170 538 1HD2 LEU 72 1HD2 LEU 72 1.107 -10.846 -3.373 539 2HD2 LEU 72 2HD2 LEU 72 0.653 -10.267 -4.993 540 3HD2 LEU 72 3HD2 LEU 72 0.968 -9.100 -3.686 541 H GLY 73 H GLY 73 -0.186 -14.057 -4.433 542 1HA GLY 73 1HA GLY 73 -2.290 -16.046 -4.481 543 2HA GLY 73 2HA GLY 73 -1.127 -16.181 -5.786 544 H THR 74 H THR 74 -0.472 -14.973 -2.451 545 HA THR 74 HA THR 74 0.809 -17.474 -1.736 546 HB THR 74 HB THR 74 2.308 -14.853 -2.221 547 HG1 THR 74 HG1 THR 74 2.458 -16.159 -4.038 548 1HG2 THR 74 1HG2 THR 74 2.805 -16.624 -0.088 549 2HG2 THR 74 2HG2 THR 74 3.869 -17.217 -1.387 550 3HG2 THR 74 3HG2 THR 74 4.000 -15.532 -0.829 551 HA PRO 75 HA PRO 75 -0.740 -16.124 2.049 552 1HB PRO 75 1HB PRO 75 0.226 -18.131 3.633 553 2HB PRO 75 2HB PRO 75 -1.237 -18.282 2.681 554 1HG PRO 75 1HG PRO 75 1.432 -19.447 2.176 555 2HG PRO 75 2HG PRO 75 -0.115 -19.915 1.499 556 1HD PRO 75 1HD PRO 75 1.942 -18.400 0.194 557 2HD PRO 75 2HD PRO 75 0.350 -18.768 -0.439 558 H GLY 76 H GLY 76 -0.244 -14.947 3.903 559 1HA GLY 76 1HA GLY 76 1.827 -14.737 5.422 560 2HA GLY 76 2HA GLY 76 2.601 -14.199 3.945 561 H THR 77 H THR 77 2.766 -12.297 5.722 562 HA THR 77 HA THR 77 0.452 -10.527 5.267 563 HB THR 77 HB THR 77 2.446 -10.729 7.584 564 HG1 THR 77 HG1 THR 77 -0.419 -11.140 7.103 565 1HG2 THR 77 1HG2 THR 77 0.287 -8.705 6.882 566 2HG2 THR 77 2HG2 THR 77 0.611 -9.109 8.585 567 3HG2 THR 77 3HG2 THR 77 1.901 -8.413 7.575 568 H TYR 78 H TYR 78 0.780 -8.998 3.792 569 HA TYR 78 HA TYR 78 3.518 -8.309 3.116 570 1HB TYR 78 1HB TYR 78 0.729 -7.493 2.084 571 2HB TYR 78 2HB TYR 78 2.228 -7.063 1.284 572 HD1 TYR 78 HD1 TYR 78 0.098 -9.960 2.257 573 HD2 TYR 78 HD2 TYR 78 3.269 -8.548 -0.245 574 HE1 TYR 78 HE1 TYR 78 0.008 -12.116 0.913 575 HE2 TYR 78 HE2 TYR 78 3.168 -10.709 -1.580 576 HH TYR 78 HH TYR 78 2.193 -12.613 -1.848 577 H SER 79 H SER 79 4.547 -6.482 3.776 578 HA SER 79 HA SER 79 2.852 -4.480 5.050 579 1HB SER 79 1HB SER 79 5.803 -4.689 5.637 580 2HB SER 79 2HB SER 79 4.514 -4.086 6.661 581 HG SER 79 HG SER 79 5.574 -6.413 6.928 582 H PHE 80 H PHE 80 3.154 -2.282 4.466 583 HA PHE 80 HA PHE 80 5.302 -1.705 2.588 584 1HB PHE 80 1HB PHE 80 3.306 -0.393 1.349 585 2HB PHE 80 2HB PHE 80 3.573 -2.091 1.005 586 HD1 PHE 80 HD1 PHE 80 2.270 -3.741 2.646 587 HD2 PHE 80 HD2 PHE 80 1.160 0.278 1.857 588 HE1 PHE 80 HE1 PHE 80 -0.085 -4.254 3.347 589 HE2 PHE 80 HE2 PHE 80 -1.195 -0.235 2.556 590 HZ PHE 80 HZ PHE 80 -1.790 -2.494 3.293 591 H TYR 81 H TYR 81 5.182 0.804 2.038 592 HA TYR 81 HA TYR 81 3.995 2.405 4.101 593 1HB TYR 81 1HB TYR 81 6.286 3.216 4.858 594 2HB TYR 81 2HB TYR 81 6.048 1.518 5.223 595 HD1 TYR 81 HD1 TYR 81 7.410 3.681 2.470 596 HD2 TYR 81 HD2 TYR 81 7.742 0.026 4.671 597 HE1 TYR 81 HE1 TYR 81 9.538 3.103 1.205 598 HE2 TYR 81 HE2 TYR 81 9.869 -0.538 3.399 599 HH TYR 81 HH TYR 81 10.882 1.345 0.656 600 H CYS 82 H CYS 82 4.627 4.785 3.784 601 HA CYS 82 HA CYS 82 4.551 5.283 0.961 602 1HB CYS 82 1HB CYS 82 3.328 6.469 3.037 603 2HB CYS 82 2HB CYS 82 4.726 7.519 2.912 604 H THR 83 H THR 83 6.133 6.624 -0.174 605 HA THR 83 HA THR 83 8.810 6.195 0.797 606 HB THR 83 HB THR 83 7.397 6.827 -1.729 607 HG1 THR 83 HG1 THR 83 9.547 5.699 -2.320 608 1HG2 THR 83 1HG2 THR 83 8.816 8.948 -1.369 609 2HG2 THR 83 2HG2 THR 83 10.240 7.880 -1.328 610 3HG2 THR 83 3HG2 THR 83 9.248 7.984 -2.801 611 HA PRO 84 HA PRO 84 8.653 10.887 1.047 612 1HB PRO 84 1HB PRO 84 6.295 12.224 0.707 613 2HB PRO 84 2HB PRO 84 7.460 11.994 -0.582 614 1HG PRO 84 1HG PRO 84 4.876 10.624 -0.152 615 2HG PRO 84 2HG PRO 84 5.834 10.724 -1.616 616 1HD PRO 84 1HD PRO 84 5.625 8.471 0.148 617 2HD PRO 84 2HD PRO 84 6.672 8.614 -1.251 618 H HIS 85 H HIS 85 5.677 9.435 2.195 619 HA HIS 85 HA HIS 85 6.000 10.915 4.672 620 1HB HIS 85 1HB HIS 85 3.782 9.088 3.708 621 2HB HIS 85 2HB HIS 85 3.779 9.964 5.227 622 HD2 HIS 85 HD2 HIS 85 3.910 12.928 4.783 623 HE1 HIS 85 HE1 HIS 85 1.908 12.572 1.045 624 HE2 HIS 85 HE2 HIS 85 2.611 14.156 2.967 625 H ARG 86 H ARG 86 8.051 8.998 3.992 626 HA ARG 86 HA ARG 86 7.485 6.570 5.277 627 1HB ARG 86 1HB ARG 86 9.407 7.346 3.541 628 2HB ARG 86 2HB ARG 86 10.318 7.588 5.018 629 1HG ARG 86 1HG ARG 86 10.526 5.342 5.409 630 2HG ARG 86 2HG ARG 86 8.857 5.015 4.988 631 1HD ARG 86 1HD ARG 86 9.343 4.635 2.743 632 2HD ARG 86 2HD ARG 86 10.663 5.787 2.716 633 HE ARG 86 HE ARG 86 10.821 2.952 3.510 634 1HH1 ARG 86 1HH1 ARG 86 12.410 6.091 3.523 635 2HH1 ARG 86 2HH1 ARG 86 13.993 5.432 3.769 636 1HH2 ARG 86 1HH2 ARG 86 12.909 2.081 3.835 637 2HH2 ARG 86 2HH2 ARG 86 14.278 3.135 3.947 638 H GLY 87 H GLY 87 8.030 9.734 6.436 639 1HA GLY 87 1HA GLY 87 9.120 8.748 9.001 640 2HA GLY 87 2HA GLY 87 9.316 10.370 8.370 641 H ALA 88 H ALA 88 6.453 10.413 7.323 642 HA ALA 88 HA ALA 88 5.287 11.602 9.574 643 1HB ALA 88 1HB ALA 88 4.568 10.962 6.765 644 2HB ALA 88 2HB ALA 88 3.193 11.128 7.883 645 3HB ALA 88 3HB ALA 88 4.349 12.468 7.688 646 H GLY 89 H GLY 89 5.381 8.285 8.349 647 1HA GLY 89 1HA GLY 89 4.939 6.473 9.771 648 2HA GLY 89 2HA GLY 89 3.806 7.449 10.684 649 H MET 90 H MET 90 4.264 6.518 7.191 650 HA MET 90 HA MET 90 1.409 5.905 7.184 651 1HB MET 90 1HB MET 90 3.286 7.190 5.184 652 2HB MET 90 2HB MET 90 1.974 6.225 4.540 653 1HG MET 90 1HG MET 90 0.571 7.690 6.368 654 2HG MET 90 2HG MET 90 1.863 8.827 6.032 655 1HE MET 90 1HE MET 90 -0.263 6.200 4.479 656 2HE MET 90 2HE MET 90 -1.032 6.945 3.058 657 3HE MET 90 3HE MET 90 0.633 6.325 2.947 658 H VAL 91 H VAL 91 1.724 3.694 7.847 659 HA VAL 91 HA VAL 91 3.027 2.065 5.777 660 HB VAL 91 HB VAL 91 3.517 0.454 7.590 661 1HG1 VAL 91 1HG1 VAL 91 4.706 3.182 7.417 662 2HG1 VAL 91 2HG1 VAL 91 5.203 2.164 8.790 663 3HG1 VAL 91 3HG1 VAL 91 5.440 1.588 7.122 664 1HG2 VAL 91 1HG2 VAL 91 2.518 2.690 9.383 665 2HG2 VAL 91 2HG2 VAL 91 1.846 1.049 9.226 666 3HG2 VAL 91 3HG2 VAL 91 3.456 1.287 9.948 667 H GLY 92 H GLY 92 2.072 -0.181 5.608 668 1HA GLY 92 1HA GLY 92 -0.686 -0.386 6.552 669 2HA GLY 92 2HA GLY 92 -0.437 -0.316 4.819 670 H THR 93 H THR 93 -1.519 -2.569 6.385 671 HA THR 93 HA THR 93 0.525 -4.565 5.678 672 HB THR 93 HB THR 93 -1.373 -5.084 7.956 673 HG1 THR 93 HG1 THR 93 1.085 -3.493 8.097 674 1HG2 THR 93 1HG2 THR 93 1.598 -5.568 7.401 675 2HG2 THR 93 2HG2 THR 93 0.818 -5.946 8.955 676 3HG2 THR 93 3HG2 THR 93 0.311 -6.795 7.475 677 H ILE 94 H ILE 94 -0.297 -6.645 5.001 678 HA ILE 94 HA ILE 94 -3.131 -6.758 4.434 679 HB ILE 94 HB ILE 94 -1.029 -6.572 2.284 680 1HG1 ILE 94 1HG1 ILE 94 -3.639 -5.089 2.716 681 2HG1 ILE 94 2HG1 ILE 94 -2.042 -4.462 3.077 682 1HG2 ILE 94 1HG2 ILE 94 -2.552 -8.580 2.004 683 2HG2 ILE 94 2HG2 ILE 94 -3.893 -7.423 1.833 684 3HG2 ILE 94 3HG2 ILE 94 -2.545 -7.400 0.672 685 1HD1 ILE 94 1HD1 ILE 94 -2.040 -5.497 0.369 686 2HD1 ILE 94 2HD1 ILE 94 -3.418 -4.391 0.578 687 3HD1 ILE 94 3HD1 ILE 94 -1.766 -3.828 0.923 688 H THR 95 H THR 95 -3.833 -8.797 4.811 689 HA THR 95 HA THR 95 -1.763 -10.884 4.931 690 HB THR 95 HB THR 95 -4.505 -10.689 6.286 691 HG1 THR 95 HG1 THR 95 -3.082 -9.171 7.228 692 1HG2 THR 95 1HG2 THR 95 -2.427 -12.797 6.111 693 2HG2 THR 95 2HG2 THR 95 -2.783 -12.307 7.785 694 3HG2 THR 95 3HG2 THR 95 -4.090 -12.905 6.735 695 H VAL 96 H VAL 96 -2.056 -12.887 3.938 696 HA VAL 96 HA VAL 96 -4.351 -12.995 2.110 697 HB VAL 96 HB VAL 96 -1.422 -13.350 1.571 698 1HG1 VAL 96 1HG1 VAL 96 -3.664 -14.922 0.398 699 2HG1 VAL 96 2HG1 VAL 96 -2.445 -14.286 -0.731 700 3HG1 VAL 96 3HG1 VAL 96 -1.948 -15.347 0.609 701 1HG2 VAL 96 1HG2 VAL 96 -2.984 -11.254 1.089 702 2HG2 VAL 96 2HG2 VAL 96 -1.706 -11.747 -0.046 703 3HG2 VAL 96 3HG2 VAL 96 -3.398 -12.200 -0.361 704 H GLU 97 H GLU 97 -5.221 -14.218 4.042 705 HA GLU 97 HA GLU 97 -3.946 -16.701 4.599 706 1HB GLU 97 1HB GLU 97 -5.779 -15.035 5.920 707 2HB GLU 97 2HB GLU 97 -6.735 -16.443 5.501 708 1HG GLU 97 1HG GLU 97 -3.991 -16.718 6.790 709 2HG GLU 97 2HG GLU 97 -5.433 -16.486 7.758 Start of MODEL 10 1 H ALA 1 H ALA 1 -15.977 -9.845 -1.656 2 HA ALA 1 HA ALA 1 -15.388 -9.356 -3.809 3 1HB ALA 1 1HB ALA 1 -16.386 -6.557 -3.151 4 2HB ALA 1 2HB ALA 1 -15.669 -7.029 -4.711 5 3HB ALA 1 3HB ALA 1 -17.194 -7.773 -4.170 6 H SER 2 H SER 2 -13.505 -7.918 -4.772 7 HA SER 2 HA SER 2 -11.334 -8.274 -3.209 8 1HB SER 2 1HB SER 2 -10.195 -6.623 -4.762 9 2HB SER 2 2HB SER 2 -11.079 -7.901 -5.571 10 HG SER 2 HG SER 2 -11.878 -5.149 -5.202 11 H VAL 3 H VAL 3 -9.747 -6.413 -2.468 12 HA VAL 3 HA VAL 3 -11.356 -4.432 -1.009 13 HB VAL 3 HB VAL 3 -9.253 -4.535 0.532 14 1HG1 VAL 3 1HG1 VAL 3 -11.561 -6.464 0.403 15 2HG1 VAL 3 2HG1 VAL 3 -10.345 -6.599 1.695 16 3HG1 VAL 3 3HG1 VAL 3 -11.286 -5.100 1.512 17 1HG2 VAL 3 1HG2 VAL 3 -8.239 -6.225 -1.250 18 2HG2 VAL 3 2HG2 VAL 3 -7.903 -6.390 0.491 19 3HG2 VAL 3 3HG2 VAL 3 -9.140 -7.414 -0.278 20 H GLN 4 H GLN 4 -9.784 -2.506 -0.300 21 HA GLN 4 HA GLN 4 -7.894 -1.951 -2.402 22 1HB GLN 4 1HB GLN 4 -9.948 0.185 -1.812 23 2HB GLN 4 2HB GLN 4 -8.922 0.005 -3.222 24 1HG GLN 4 1HG GLN 4 -10.237 -2.181 -3.710 25 2HG GLN 4 2HG GLN 4 -11.378 -1.644 -2.493 26 1HE2 GLN 4 2HE2 GLN 4 -12.014 -2.064 -5.174 27 2HE2 GLN 4 1HE2 GLN 4 -12.472 -0.565 -5.912 28 H ILE 5 H ILE 5 -6.299 -0.376 -1.790 29 HA ILE 5 HA ILE 5 -6.380 0.226 1.078 30 HB ILE 5 HB ILE 5 -4.231 -0.504 -0.840 31 1HG1 ILE 5 1HG1 ILE 5 -5.068 -2.192 0.665 32 2HG1 ILE 5 2HG1 ILE 5 -3.425 -1.778 1.114 33 1HG2 ILE 5 1HG2 ILE 5 -3.989 1.645 1.198 34 2HG2 ILE 5 2HG2 ILE 5 -2.683 0.439 1.135 35 3HG2 ILE 5 3HG2 ILE 5 -3.093 1.383 -0.317 36 1HD1 ILE 5 1HD1 ILE 5 -4.678 -0.010 2.708 37 2HD1 ILE 5 2HD1 ILE 5 -5.997 -1.195 2.556 38 3HD1 ILE 5 3HD1 ILE 5 -4.420 -1.698 3.209 39 H LYS 6 H LYS 6 -7.102 2.244 1.496 40 HA LYS 6 HA LYS 6 -6.772 4.283 -0.527 41 1HB LYS 6 1HB LYS 6 -8.523 3.792 1.769 42 2HB LYS 6 2HB LYS 6 -7.952 5.447 1.702 43 1HG LYS 6 1HG LYS 6 -8.663 5.561 -0.719 44 2HG LYS 6 2HG LYS 6 -9.300 3.933 -0.586 45 1HD LYS 6 1HD LYS 6 -10.266 5.718 1.569 46 2HD LYS 6 2HD LYS 6 -10.703 6.289 -0.029 47 1HE LYS 6 1HE LYS 6 -11.144 3.440 0.021 48 2HE LYS 6 2HE LYS 6 -11.862 4.109 1.473 49 1HZ LYS 6 1HZ LYS 6 -12.789 5.842 -0.149 50 2HZ LYS 6 2HZ LYS 6 -12.479 4.729 -1.303 51 3HZ LYS 6 3HZ LYS 6 -13.496 4.371 -0.077 52 H MET 7 H MET 7 -5.490 6.138 -0.346 53 HA MET 7 HA MET 7 -3.606 6.016 1.882 54 1HB MET 7 1HB MET 7 -3.296 6.845 -1.046 55 2HB MET 7 2HB MET 7 -2.111 7.318 0.156 56 1HG MET 7 1HG MET 7 -1.129 5.320 -0.459 57 2HG MET 7 2HG MET 7 -2.228 4.670 0.741 58 1HE MET 7 1HE MET 7 -1.326 5.339 -2.765 59 2HE MET 7 2HE MET 7 -1.012 3.592 -2.635 60 3HE MET 7 3HE MET 7 -2.268 4.190 -3.746 61 H GLY 8 H GLY 8 -4.252 7.544 3.360 62 1HA GLY 8 1HA GLY 8 -4.112 9.834 3.945 63 2HA GLY 8 2HA GLY 8 -4.654 10.278 2.338 64 H THR 9 H THR 9 -5.682 10.622 5.313 65 HA THR 9 HA THR 9 -8.347 9.471 5.002 66 HB THR 9 HB THR 9 -8.493 10.508 7.403 67 HG1 THR 9 HG1 THR 9 -6.705 11.862 7.499 68 1HG2 THR 9 1HG2 THR 9 -7.188 8.100 6.462 69 2HG2 THR 9 2HG2 THR 9 -6.224 8.772 7.800 70 3HG2 THR 9 3HG2 THR 9 -7.946 8.387 8.047 71 H ASP 10 H ASP 10 -10.276 10.820 5.385 72 HA ASP 10 HA ASP 10 -10.280 12.934 3.616 73 1HB ASP 10 1HB ASP 10 -12.261 11.535 4.384 74 2HB ASP 10 2HB ASP 10 -12.239 12.414 5.901 75 H LYS 11 H LYS 11 -9.141 12.690 6.854 76 HA LYS 11 HA LYS 11 -9.705 15.463 7.509 77 1HB LYS 11 1HB LYS 11 -8.839 13.032 8.996 78 2HB LYS 11 2HB LYS 11 -8.248 14.570 9.591 79 1HG LYS 11 1HG LYS 11 -10.557 15.452 9.720 80 2HG LYS 11 2HG LYS 11 -11.189 13.977 9.014 81 1HD LYS 11 1HD LYS 11 -9.482 13.446 11.364 82 2HD LYS 11 2HD LYS 11 -10.842 14.480 11.753 83 1HE LYS 11 1HE LYS 11 -11.254 11.951 10.118 84 2HE LYS 11 2HE LYS 11 -11.155 11.870 11.866 85 1HZ LYS 11 1HZ LYS 11 -12.859 13.939 11.276 86 2HZ LYS 11 2HZ LYS 11 -13.297 12.717 10.286 87 3HZ LYS 11 3HZ LYS 11 -13.253 12.484 11.902 88 H TYR 12 H TYR 12 -8.042 14.827 5.163 89 HA TYR 12 HA TYR 12 -6.063 15.303 4.261 90 1HB TYR 12 1HB TYR 12 -6.970 17.416 6.106 91 2HB TYR 12 2HB TYR 12 -5.219 17.419 6.043 92 HD1 TYR 12 HD1 TYR 12 -4.187 17.342 3.588 93 HD2 TYR 12 HD2 TYR 12 -8.149 18.656 4.528 94 HE1 TYR 12 HE1 TYR 12 -4.275 18.658 1.414 95 HE2 TYR 12 HE2 TYR 12 -8.223 19.968 2.351 96 HH TYR 12 HH TYR 12 -6.285 19.435 -0.139 97 H ALA 13 H ALA 13 -5.966 13.255 6.359 98 HA ALA 13 HA ALA 13 -3.300 13.800 7.468 99 1HB ALA 13 1HB ALA 13 -5.647 13.018 8.738 100 2HB ALA 13 2HB ALA 13 -4.770 11.484 8.526 101 3HB ALA 13 3HB ALA 13 -3.999 12.838 9.387 102 HA PRO 14 HA PRO 14 -2.012 10.787 4.589 103 1HB PRO 14 1HB PRO 14 0.656 10.837 5.177 104 2HB PRO 14 2HB PRO 14 -0.105 11.972 4.081 105 1HG PRO 14 1HG PRO 14 0.817 12.410 6.854 106 2HG PRO 14 2HG PRO 14 0.457 13.597 5.617 107 1HD PRO 14 1HD PRO 14 -1.193 12.899 7.857 108 2HD PRO 14 2HD PRO 14 -1.601 14.000 6.558 109 H LEU 15 H LEU 15 -2.859 8.825 4.996 110 HA LEU 15 HA LEU 15 -1.197 7.105 6.550 111 1HB LEU 15 1HB LEU 15 -2.633 8.408 8.225 112 2HB LEU 15 2HB LEU 15 -3.993 7.500 7.593 113 HG LEU 15 HG LEU 15 -1.796 5.726 8.282 114 1HD1 LEU 15 1HD1 LEU 15 -1.713 7.876 9.917 115 2HD1 LEU 15 2HD1 LEU 15 -2.908 6.873 10.774 116 3HD1 LEU 15 3HD1 LEU 15 -1.289 6.222 10.421 117 1HD2 LEU 15 1HD2 LEU 15 -4.542 5.619 8.110 118 2HD2 LEU 15 2HD2 LEU 15 -3.489 4.366 8.809 119 3HD2 LEU 15 3HD2 LEU 15 -4.256 5.574 9.866 120 H TYR 16 H TYR 16 -2.301 4.821 6.629 121 HA TYR 16 HA TYR 16 -3.486 4.447 3.979 122 1HB TYR 16 1HB TYR 16 -1.824 2.916 6.015 123 2HB TYR 16 2HB TYR 16 -2.850 1.961 4.963 124 HD1 TYR 16 HD1 TYR 16 -2.666 2.820 2.349 125 HD2 TYR 16 HD2 TYR 16 0.378 3.112 5.341 126 HE1 TYR 16 HE1 TYR 16 -0.884 2.912 0.538 127 HE2 TYR 16 HE2 TYR 16 2.150 3.203 3.519 128 HH TYR 16 HH TYR 16 2.240 3.903 1.131 129 H GLU 17 H GLU 17 -5.597 3.893 3.751 130 HA GLU 17 HA GLU 17 -6.887 2.806 6.132 131 1HB GLU 17 1HB GLU 17 -7.490 5.234 5.463 132 2HB GLU 17 2HB GLU 17 -8.292 4.542 4.067 133 1HG GLU 17 1HG GLU 17 -9.772 3.206 5.508 134 2HG GLU 17 2HG GLU 17 -8.898 3.709 6.941 135 HA PRO 18 HA PRO 18 -8.145 1.681 6.723 136 1HB PRO 18 1HB PRO 18 -8.279 -0.940 7.485 137 2HB PRO 18 2HB PRO 18 -9.690 0.003 7.045 138 1HG PRO 18 1HG PRO 18 -8.301 -2.090 5.487 139 2HG PRO 18 2HG PRO 18 -9.917 -1.449 5.268 140 1HD PRO 18 1HD PRO 18 -7.600 -0.835 3.693 141 2HD PRO 18 2HD PRO 18 -9.188 -0.108 3.548 142 H LYS 19 H LYS 19 -6.976 0.823 8.767 143 HA LYS 19 HA LYS 19 -4.253 1.270 8.257 144 1HB LYS 19 1HB LYS 19 -5.415 1.839 10.364 145 2HB LYS 19 2HB LYS 19 -5.608 0.135 10.722 146 1HG LYS 19 1HG LYS 19 -3.304 -0.197 11.096 147 2HG LYS 19 2HG LYS 19 -2.836 1.168 10.102 148 1HD LYS 19 1HD LYS 19 -4.500 2.073 12.329 149 2HD LYS 19 2HD LYS 19 -3.154 1.126 12.930 150 1HE LYS 19 1HE LYS 19 -1.856 2.671 11.063 151 2HE LYS 19 2HE LYS 19 -3.139 3.769 11.530 152 1HZ LYS 19 1HZ LYS 19 -2.464 3.183 13.880 153 2HZ LYS 19 2HZ LYS 19 -1.094 2.569 13.238 154 3HZ LYS 19 3HZ LYS 19 -1.454 4.149 13.037 155 H ALA 20 H ALA 20 -6.252 -1.679 8.616 156 HA ALA 20 HA ALA 20 -3.912 -3.200 7.715 157 1HB ALA 20 1HB ALA 20 -4.363 -3.420 10.217 158 2HB ALA 20 2HB ALA 20 -5.904 -4.197 9.782 159 3HB ALA 20 3HB ALA 20 -4.363 -4.942 9.294 160 H LEU 21 H LEU 21 -4.450 -5.083 6.421 161 HA LEU 21 HA LEU 21 -7.250 -5.264 5.632 162 1HB LEU 21 1HB LEU 21 -6.570 -3.796 3.985 163 2HB LEU 21 2HB LEU 21 -4.957 -4.475 3.881 164 HG LEU 21 HG LEU 21 -5.880 -6.490 2.778 165 1HD1 LEU 21 1HD1 LEU 21 -8.253 -5.887 3.874 166 2HD1 LEU 21 2HD1 LEU 21 -8.495 -5.178 2.259 167 3HD1 LEU 21 3HD1 LEU 21 -8.078 -6.901 2.422 168 1HD2 LEU 21 1HD2 LEU 21 -5.615 -3.868 1.704 169 2HD2 LEU 21 2HD2 LEU 21 -5.380 -5.435 0.895 170 3HD2 LEU 21 3HD2 LEU 21 -6.982 -4.660 0.885 171 H SER 22 H SER 22 -7.896 -7.353 5.103 172 HA SER 22 HA SER 22 -5.748 -9.321 5.120 173 1HB SER 22 1HB SER 22 -6.987 -9.227 7.323 174 2HB SER 22 2HB SER 22 -8.461 -9.651 6.474 175 HG SER 22 HG SER 22 -6.514 -11.431 5.764 176 H ILE 23 H ILE 23 -6.043 -11.107 3.685 177 HA ILE 23 HA ILE 23 -8.556 -11.357 2.300 178 HB ILE 23 HB ILE 23 -7.628 -11.047 0.085 179 1HG1 ILE 23 1HG1 ILE 23 -5.123 -9.867 1.274 180 2HG1 ILE 23 2HG1 ILE 23 -5.225 -11.582 0.923 181 1HG2 ILE 23 1HG2 ILE 23 -8.726 -9.167 1.281 182 2HG2 ILE 23 2HG2 ILE 23 -7.120 -8.600 1.797 183 3HG2 ILE 23 3HG2 ILE 23 -7.534 -8.642 0.067 184 1HD1 ILE 23 1HD1 ILE 23 -6.222 -9.880 -1.289 185 2HD1 ILE 23 2HD1 ILE 23 -4.502 -9.628 -0.904 186 3HD1 ILE 23 3HD1 ILE 23 -5.089 -11.252 -1.332 187 H SER 24 H SER 24 -7.926 -13.108 0.325 188 HA SER 24 HA SER 24 -6.411 -15.146 1.761 189 1HB SER 24 1HB SER 24 -8.746 -15.668 -0.124 190 2HB SER 24 2HB SER 24 -7.942 -16.833 0.909 191 HG SER 24 HG SER 24 -9.742 -14.718 1.627 192 H ALA 25 H ALA 25 -5.420 -16.844 0.271 193 HA ALA 25 HA ALA 25 -3.918 -15.613 -1.724 194 1HB ALA 25 1HB ALA 25 -3.701 -17.876 -0.295 195 2HB ALA 25 2HB ALA 25 -4.378 -18.572 -1.788 196 3HB ALA 25 3HB ALA 25 -2.856 -17.651 -1.845 197 H GLY 26 H GLY 26 -4.829 -14.685 -3.507 198 1HA GLY 26 1HA GLY 26 -5.530 -15.447 -5.759 199 2HA GLY 26 2HA GLY 26 -6.841 -16.296 -4.963 200 H ASP 27 H ASP 27 -6.550 -13.689 -3.000 201 HA ASP 27 HA ASP 27 -8.746 -12.402 -4.266 202 1HB ASP 27 1HB ASP 27 -7.186 -11.965 -1.694 203 2HB ASP 27 2HB ASP 27 -8.387 -10.799 -2.213 204 H THR 28 H THR 28 -8.611 -9.774 -4.147 205 HA THR 28 HA THR 28 -5.978 -8.972 -5.201 206 HB THR 28 HB THR 28 -8.701 -7.957 -6.153 207 HG1 THR 28 HG1 THR 28 -8.608 -9.707 -7.567 208 1HG2 THR 28 1HG2 THR 28 -6.105 -7.019 -6.644 209 2HG2 THR 28 2HG2 THR 28 -6.396 -8.128 -8.005 210 3HG2 THR 28 3HG2 THR 28 -7.505 -6.768 -7.713 211 H VAL 29 H VAL 29 -5.371 -6.745 -4.863 212 HA VAL 29 HA VAL 29 -6.929 -5.433 -2.760 213 HB VAL 29 HB VAL 29 -3.958 -5.992 -2.738 214 1HG1 VAL 29 1HG1 VAL 29 -5.652 -4.169 -1.013 215 2HG1 VAL 29 2HG1 VAL 29 -4.076 -4.805 -0.483 216 3HG1 VAL 29 3HG1 VAL 29 -4.179 -3.774 -1.931 217 1HG2 VAL 29 1HG2 VAL 29 -6.313 -7.065 -1.223 218 2HG2 VAL 29 2HG2 VAL 29 -4.879 -7.909 -1.856 219 3HG2 VAL 29 3HG2 VAL 29 -4.749 -6.911 -0.388 220 H GLU 30 H GLU 30 -7.658 -3.649 -3.826 221 HA GLU 30 HA GLU 30 -6.041 -2.486 -5.860 222 1HB GLU 30 1HB GLU 30 -8.599 -2.655 -5.864 223 2HB GLU 30 2HB GLU 30 -8.613 -1.381 -4.660 224 1HG GLU 30 1HG GLU 30 -7.786 0.241 -6.159 225 2HG GLU 30 2HG GLU 30 -7.025 -0.950 -7.196 226 H PHE 31 H PHE 31 -5.844 0.076 -5.811 227 HA PHE 31 HA PHE 31 -5.310 1.020 -3.114 228 1HB PHE 31 1HB PHE 31 -3.351 0.792 -5.470 229 2HB PHE 31 2HB PHE 31 -3.040 1.859 -4.115 230 HD1 PHE 31 HD1 PHE 31 -3.648 -1.706 -4.964 231 HD2 PHE 31 HD2 PHE 31 -2.007 1.045 -2.181 232 HE1 PHE 31 HE1 PHE 31 -2.590 -3.606 -3.710 233 HE2 PHE 31 HE2 PHE 31 -0.948 -0.855 -0.927 234 HZ PHE 31 HZ PHE 31 -1.252 -3.158 -1.707 235 H VAL 32 H VAL 32 -6.424 2.907 -2.980 236 HA VAL 32 HA VAL 32 -6.421 4.604 -5.382 237 HB VAL 32 HB VAL 32 -8.600 3.516 -4.751 238 1HG1 VAL 32 1HG1 VAL 32 -7.923 4.302 -2.174 239 2HG1 VAL 32 2HG1 VAL 32 -9.194 5.457 -2.644 240 3HG1 VAL 32 3HG1 VAL 32 -9.512 3.706 -2.712 241 1HG2 VAL 32 1HG2 VAL 32 -8.303 6.526 -4.855 242 2HG2 VAL 32 2HG2 VAL 32 -8.717 5.402 -6.173 243 3HG2 VAL 32 3HG2 VAL 32 -9.891 5.722 -4.874 244 H MET 33 H MET 33 -6.109 6.862 -5.070 245 HA MET 33 HA MET 33 -4.780 7.410 -2.555 246 1HB MET 33 1HB MET 33 -4.055 7.908 -5.168 247 2HB MET 33 2HB MET 33 -4.846 9.426 -4.791 248 1HG MET 33 1HG MET 33 -3.371 9.412 -2.614 249 2HG MET 33 2HG MET 33 -2.422 8.189 -3.435 250 1HE MET 33 1HE MET 33 -4.377 11.348 -4.209 251 2HE MET 33 2HE MET 33 -3.105 12.110 -3.225 252 3HE MET 33 3HE MET 33 -3.202 12.448 -4.970 253 H ASN 34 H ASN 34 -5.818 8.536 -0.971 254 HA ASN 34 HA ASN 34 -8.344 9.673 -1.549 255 1HB ASN 34 1HB ASN 34 -6.679 9.087 0.847 256 2HB ASN 34 2HB ASN 34 -7.636 10.546 1.016 257 1HD2 ASN 34 2HD2 ASN 34 -9.277 10.022 2.262 258 2HD2 ASN 34 1HD2 ASN 34 -10.387 8.714 2.021 259 H LYS 35 H LYS 35 -5.338 11.000 0.049 260 HA LYS 35 HA LYS 35 -5.076 13.192 -1.644 261 1HB LYS 35 1HB LYS 35 -5.890 15.013 -0.195 262 2HB LYS 35 2HB LYS 35 -7.185 13.990 -0.784 263 1HG LYS 35 1HG LYS 35 -6.094 12.989 1.759 264 2HG LYS 35 2HG LYS 35 -6.653 14.643 1.909 265 1HD LYS 35 1HD LYS 35 -8.322 12.394 0.688 266 2HD LYS 35 2HD LYS 35 -8.431 12.885 2.367 267 1HE LYS 35 1HE LYS 35 -9.959 14.437 1.724 268 2HE LYS 35 2HE LYS 35 -8.650 15.313 0.956 269 1HZ LYS 35 1HZ LYS 35 -9.116 13.573 -0.913 270 2HZ LYS 35 2HZ LYS 35 -10.602 13.544 -0.238 271 3HZ LYS 35 3HZ LYS 35 -9.990 14.948 -0.802 272 H VAL 36 H VAL 36 -3.928 15.078 0.085 273 HA VAL 36 HA VAL 36 -2.085 15.501 1.226 274 HB VAL 36 HB VAL 36 -2.253 12.752 2.449 275 1HG1 VAL 36 1HG1 VAL 36 -0.319 14.408 2.882 276 2HG1 VAL 36 2HG1 VAL 36 -1.515 15.346 3.808 277 3HG1 VAL 36 3HG1 VAL 36 -1.129 13.677 4.288 278 1HG2 VAL 36 1HG2 VAL 36 -4.288 14.803 2.481 279 2HG2 VAL 36 2HG2 VAL 36 -4.299 13.185 3.224 280 3HG2 VAL 36 3HG2 VAL 36 -3.625 14.570 4.117 281 H GLY 37 H GLY 37 -2.186 13.940 -1.419 282 1HA GLY 37 1HA GLY 37 0.114 12.236 -1.413 283 2HA GLY 37 2HA GLY 37 -0.784 12.822 -2.799 284 HA PRO 38 HA PRO 38 0.720 12.216 -3.913 285 1HB PRO 38 1HB PRO 38 3.164 11.599 -4.968 286 2HB PRO 38 2HB PRO 38 2.004 12.634 -5.778 287 1HG PRO 38 1HG PRO 38 4.489 13.384 -4.364 288 2HG PRO 38 2HG PRO 38 3.559 14.317 -5.519 289 1HD PRO 38 1HD PRO 38 3.600 14.661 -2.671 290 2HD PRO 38 2HD PRO 38 2.584 15.515 -3.815 291 H HIS 39 H HIS 39 1.494 9.863 -3.970 292 HA HIS 39 HA HIS 39 2.923 9.330 -1.487 293 1HB HIS 39 1HB HIS 39 0.346 7.926 -2.237 294 2HB HIS 39 2HB HIS 39 1.307 7.670 -0.794 295 HD2 HIS 39 HD2 HIS 39 -1.547 9.930 -2.042 296 HE1 HIS 39 HE1 HIS 39 -0.298 11.508 1.709 297 HE2 HIS 39 HE2 HIS 39 -2.053 11.606 -0.190 298 H ASN 40 H ASN 40 2.203 6.396 -1.877 299 HA ASN 40 HA ASN 40 2.981 5.605 -4.404 300 1HB ASN 40 1HB ASN 40 5.315 4.706 -3.741 301 2HB ASN 40 2HB ASN 40 5.210 6.434 -4.017 302 1HD2 ASN 40 2HD2 ASN 40 6.565 4.248 -2.112 303 2HD2 ASN 40 1HD2 ASN 40 6.678 5.083 -0.599 304 H VAL 41 H VAL 41 3.988 3.126 -4.101 305 HA VAL 41 HA VAL 41 2.700 1.952 -1.744 306 HB VAL 41 HB VAL 41 2.374 1.182 -4.643 307 1HG1 VAL 41 1HG1 VAL 41 2.189 -0.492 -2.186 308 2HG1 VAL 41 2HG1 VAL 41 0.885 -0.673 -3.384 309 3HG1 VAL 41 3HG1 VAL 41 2.577 -0.947 -3.863 310 1HG2 VAL 41 1HG2 VAL 41 0.510 2.089 -2.445 311 2HG2 VAL 41 2HG2 VAL 41 0.732 2.761 -4.078 312 3HG2 VAL 41 3HG2 VAL 41 -0.086 1.195 -3.865 313 H ILE 42 H ILE 42 5.292 2.483 -1.509 314 HA ILE 42 HA ILE 42 6.877 0.371 -2.659 315 HB ILE 42 HB ILE 42 7.407 2.744 -0.900 316 1HG1 ILE 42 1HG1 ILE 42 8.618 1.940 -3.557 317 2HG1 ILE 42 2HG1 ILE 42 7.175 2.925 -3.415 318 1HG2 ILE 42 1HG2 ILE 42 9.168 0.347 -1.336 319 2HG2 ILE 42 2HG2 ILE 42 9.875 1.968 -1.131 320 3HG2 ILE 42 3HG2 ILE 42 8.854 1.273 0.152 321 1HD1 ILE 42 1HD1 ILE 42 9.459 3.819 -1.721 322 2HD1 ILE 42 2HD1 ILE 42 9.718 3.943 -3.478 323 3HD1 ILE 42 3HD1 ILE 42 8.340 4.777 -2.720 324 H PHE 43 H PHE 43 6.122 -1.603 -1.879 325 HA PHE 43 HA PHE 43 5.365 -2.037 0.767 326 1HB PHE 43 1HB PHE 43 6.606 -3.900 -1.348 327 2HB PHE 43 2HB PHE 43 5.694 -4.453 0.043 328 HD1 PHE 43 HD1 PHE 43 3.253 -4.022 0.169 329 HD2 PHE 43 HD2 PHE 43 5.503 -3.075 -3.301 330 HE1 PHE 43 HE1 PHE 43 1.132 -3.882 -1.167 331 HE2 PHE 43 HE2 PHE 43 3.383 -2.934 -4.637 332 HZ PHE 43 HZ PHE 43 1.223 -3.339 -3.554 333 H ASP 44 H ASP 44 6.443 -3.067 2.537 334 HA ASP 44 HA ASP 44 9.143 -2.302 2.740 335 1HB ASP 44 1HB ASP 44 7.153 -2.712 4.538 336 2HB ASP 44 2HB ASP 44 7.926 -4.281 4.656 337 H LYS 45 H LYS 45 7.369 -5.490 2.840 338 HA LYS 45 HA LYS 45 8.893 -6.908 1.143 339 1HB LYS 45 1HB LYS 45 10.462 -6.290 3.496 340 2HB LYS 45 2HB LYS 45 10.238 -8.022 3.358 341 1HG LYS 45 1HG LYS 45 10.793 -7.483 0.756 342 2HG LYS 45 2HG LYS 45 11.633 -6.129 1.485 343 1HD LYS 45 1HD LYS 45 12.612 -7.992 3.122 344 2HD LYS 45 2HD LYS 45 12.154 -9.090 1.834 345 1HE LYS 45 1HE LYS 45 13.435 -7.445 0.245 346 2HE LYS 45 2HE LYS 45 14.131 -6.781 1.710 347 1HZ LYS 45 1HZ LYS 45 14.882 -9.010 2.268 348 2HZ LYS 45 2HZ LYS 45 14.278 -9.592 0.866 349 3HZ LYS 45 3HZ LYS 45 15.503 -8.511 0.842 350 H VAL 46 H VAL 46 8.280 -9.138 1.110 351 HA VAL 46 HA VAL 46 6.290 -9.803 3.168 352 HB VAL 46 HB VAL 46 4.783 -10.431 1.616 353 1HG1 VAL 46 1HG1 VAL 46 6.507 -8.483 0.053 354 2HG1 VAL 46 2HG1 VAL 46 4.858 -8.962 -0.416 355 3HG1 VAL 46 3HG1 VAL 46 5.133 -8.101 1.119 356 1HG2 VAL 46 1HG2 VAL 46 7.097 -11.145 -0.209 357 2HG2 VAL 46 2HG2 VAL 46 5.991 -12.251 0.643 358 3HG2 VAL 46 3HG2 VAL 46 5.388 -11.244 -0.696 359 HA PRO 47 HA PRO 47 8.326 -13.599 3.580 360 1HB PRO 47 1HB PRO 47 6.367 -15.500 3.692 361 2HB PRO 47 2HB PRO 47 6.766 -14.456 5.040 362 1HG PRO 47 1HG PRO 47 4.438 -14.328 3.224 363 2HG PRO 47 2HG PRO 47 4.643 -13.589 4.799 364 1HD PRO 47 1HD PRO 47 4.818 -12.278 2.253 365 2HD PRO 47 2HD PRO 47 5.136 -11.566 3.823 366 H ALA 48 H ALA 48 9.139 -15.628 2.723 367 HA ALA 48 HA ALA 48 9.688 -15.515 0.096 368 1HB ALA 48 1HB ALA 48 9.255 -17.937 1.883 369 2HB ALA 48 2HB ALA 48 10.010 -18.019 0.273 370 3HB ALA 48 3HB ALA 48 10.781 -17.077 1.571 371 H GLY 49 H GLY 49 8.667 -15.851 -1.840 372 1HA GLY 49 1HA GLY 49 6.913 -17.486 -2.779 373 2HA GLY 49 2HA GLY 49 5.833 -16.633 -1.695 374 H GLU 50 H GLU 50 5.950 -14.099 -1.875 375 HA GLU 50 HA GLU 50 5.583 -13.543 -4.656 376 1HB GLU 50 1HB GLU 50 4.420 -12.637 -2.267 377 2HB GLU 50 2HB GLU 50 5.344 -11.255 -2.822 378 1HG GLU 50 1HG GLU 50 3.839 -12.626 -4.985 379 2HG GLU 50 2HG GLU 50 2.813 -11.961 -3.731 380 H SER 51 H SER 51 6.292 -10.883 -4.967 381 HA SER 51 HA SER 51 9.139 -10.896 -4.348 382 1HB SER 51 1HB SER 51 8.101 -11.279 -6.885 383 2HB SER 51 2HB SER 51 8.346 -9.544 -6.871 384 HG SER 51 HG SER 51 10.255 -11.647 -6.724 385 H ALA 52 H ALA 52 8.404 -9.525 -2.491 386 HA ALA 52 HA ALA 52 6.941 -7.235 -2.666 387 1HB ALA 52 1HB ALA 52 8.394 -8.546 -0.743 388 2HB ALA 52 2HB ALA 52 9.353 -7.062 -0.953 389 3HB ALA 52 3HB ALA 52 7.630 -6.954 -0.519 390 HA PRO 53 HA PRO 53 10.872 -4.969 -4.019 391 1HB PRO 53 1HB PRO 53 13.076 -6.390 -4.786 392 2HB PRO 53 2HB PRO 53 12.872 -5.736 -3.174 393 1HG PRO 53 1HG PRO 53 12.616 -8.537 -4.082 394 2HG PRO 53 2HG PRO 53 12.837 -7.927 -2.454 395 1HD PRO 53 1HD PRO 53 10.395 -8.895 -3.607 396 2HD PRO 53 2HD PRO 53 10.593 -8.178 -2.021 397 H ALA 54 H ALA 54 8.741 -5.646 -5.482 398 HA ALA 54 HA ALA 54 9.848 -5.346 -8.113 399 1HB ALA 54 1HB ALA 54 9.749 -7.889 -7.519 400 2HB ALA 54 2HB ALA 54 7.990 -7.695 -7.715 401 3HB ALA 54 3HB ALA 54 9.082 -7.342 -9.076 402 H LEU 55 H LEU 55 6.965 -6.004 -6.032 403 HA LEU 55 HA LEU 55 5.177 -4.740 -7.836 404 1HB LEU 55 1HB LEU 55 5.060 -5.864 -5.077 405 2HB LEU 55 2HB LEU 55 3.791 -4.762 -5.575 406 HG LEU 55 HG LEU 55 4.549 -7.306 -7.041 407 1HD1 LEU 55 1HD1 LEU 55 3.260 -7.147 -4.617 408 2HD1 LEU 55 2HD1 LEU 55 1.908 -7.183 -5.775 409 3HD1 LEU 55 3HD1 LEU 55 3.126 -8.483 -5.784 410 1HD2 LEU 55 1HD2 LEU 55 3.057 -5.034 -7.883 411 2HD2 LEU 55 2HD2 LEU 55 3.319 -6.575 -8.732 412 3HD2 LEU 55 3HD2 LEU 55 1.919 -6.382 -7.650 413 H SER 56 H SER 56 7.198 -3.715 -5.080 414 HA SER 56 HA SER 56 5.985 -1.351 -4.495 415 1HB SER 56 1HB SER 56 8.594 -0.683 -4.122 416 2HB SER 56 2HB SER 56 7.696 -1.706 -3.019 417 HG SER 56 HG SER 56 9.278 -3.106 -3.418 418 H ASN 57 H ASN 57 5.999 0.752 -5.372 419 HA ASN 57 HA ASN 57 7.632 1.112 -7.744 420 1HB ASN 57 1HB ASN 57 5.697 2.221 -8.894 421 2HB ASN 57 2HB ASN 57 5.364 0.534 -8.556 422 1HD2 ASN 57 2HD2 ASN 57 3.651 2.959 -8.909 423 2HD2 ASN 57 1HD2 ASN 57 2.597 3.008 -7.535 424 H THR 58 H THR 58 8.969 2.780 -6.976 425 HA THR 58 HA THR 58 8.124 4.635 -5.016 426 HB THR 58 HB THR 58 10.486 3.876 -5.386 427 HG1 THR 58 HG1 THR 58 11.243 6.250 -5.551 428 1HG2 THR 58 1HG2 THR 58 10.286 3.972 -7.985 429 2HG2 THR 58 2HG2 THR 58 10.470 5.734 -7.807 430 3HG2 THR 58 3HG2 THR 58 11.771 4.644 -7.271 431 H LYS 59 H LYS 59 7.586 4.427 -8.432 432 HA LYS 59 HA LYS 59 7.558 7.081 -9.160 433 1HB LYS 59 1HB LYS 59 7.249 4.969 -10.576 434 2HB LYS 59 2HB LYS 59 5.557 5.029 -10.122 435 1HG LYS 59 1HG LYS 59 5.861 7.617 -10.885 436 2HG LYS 59 2HG LYS 59 7.128 6.908 -11.866 437 1HD LYS 59 1HD LYS 59 5.483 5.266 -12.801 438 2HD LYS 59 2HD LYS 59 4.217 5.982 -11.824 439 1HE LYS 59 1HE LYS 59 4.559 8.175 -12.981 440 2HE LYS 59 2HE LYS 59 5.833 7.466 -13.954 441 1HZ LYS 59 1HZ LYS 59 4.108 5.816 -14.663 442 2HZ LYS 59 2HZ LYS 59 2.985 6.784 -13.979 443 3HZ LYS 59 3HZ LYS 59 3.899 7.340 -15.213 444 H LEU 60 H LEU 60 6.837 8.477 -7.522 445 HA LEU 60 HA LEU 60 4.507 8.101 -6.061 446 1HB LEU 60 1HB LEU 60 5.826 10.709 -6.824 447 2HB LEU 60 2HB LEU 60 4.721 10.447 -5.489 448 HG LEU 60 HG LEU 60 7.230 8.818 -5.573 449 1HD1 LEU 60 1HD1 LEU 60 7.569 11.436 -6.030 450 2HD1 LEU 60 2HD1 LEU 60 7.442 11.473 -4.254 451 3HD1 LEU 60 3HD1 LEU 60 8.686 10.469 -5.037 452 1HD2 LEU 60 1HD2 LEU 60 5.216 9.686 -3.590 453 2HD2 LEU 60 2HD2 LEU 60 6.165 8.184 -3.694 454 3HD2 LEU 60 3HD2 LEU 60 6.902 9.656 -3.019 455 H ALA 61 H ALA 61 2.514 7.772 -6.896 456 HA ALA 61 HA ALA 61 1.807 8.743 -9.465 457 1HB ALA 61 1HB ALA 61 0.994 6.643 -8.177 458 2HB ALA 61 2HB ALA 61 -0.111 7.758 -7.338 459 3HB ALA 61 3HB ALA 61 -0.210 7.569 -9.105 460 H ILE 62 H ILE 62 1.783 10.957 -9.714 461 HA ILE 62 HA ILE 62 0.802 12.643 -7.633 462 HB ILE 62 HB ILE 62 1.415 13.318 -10.510 463 1HG1 ILE 62 1HG1 ILE 62 3.308 12.133 -9.469 464 2HG1 ILE 62 2HG1 ILE 62 3.679 13.808 -9.826 465 1HG2 ILE 62 1HG2 ILE 62 1.105 14.956 -7.992 466 2HG2 ILE 62 2HG2 ILE 62 1.976 15.556 -9.424 467 3HG2 ILE 62 3HG2 ILE 62 0.254 15.123 -9.546 468 1HD1 ILE 62 1HD1 ILE 62 2.604 13.882 -7.217 469 2HD1 ILE 62 2HD1 ILE 62 3.643 12.438 -7.244 470 3HD1 ILE 62 3HD1 ILE 62 4.321 14.030 -7.664 471 H ALA 63 H ALA 63 -0.365 11.700 -10.939 472 HA ALA 63 HA ALA 63 -2.785 13.082 -10.736 473 1HB ALA 63 1HB ALA 63 -1.466 11.155 -12.513 474 2HB ALA 63 2HB ALA 63 -3.228 10.913 -12.431 475 3HB ALA 63 3HB ALA 63 -2.569 12.497 -12.905 476 HA PRO 64 HA PRO 64 -4.597 10.357 -7.803 477 1HB PRO 64 1HB PRO 64 -6.709 11.960 -7.141 478 2HB PRO 64 2HB PRO 64 -5.143 12.068 -6.362 479 1HG PRO 64 1HG PRO 64 -6.345 13.879 -8.366 480 2HG PRO 64 2HG PRO 64 -5.004 14.180 -7.278 481 1HD PRO 64 1HD PRO 64 -4.842 13.604 -10.084 482 2HD PRO 64 2HD PRO 64 -3.500 13.791 -8.973 483 H GLY 65 H GLY 65 -6.641 9.160 -7.468 484 1HA GLY 65 1HA GLY 65 -8.860 9.122 -8.848 485 2HA GLY 65 2HA GLY 65 -7.762 8.649 -10.129 486 H SER 66 H SER 66 -6.043 6.857 -9.302 487 HA SER 66 HA SER 66 -6.671 5.154 -7.286 488 1HB SER 66 1HB SER 66 -8.639 4.948 -9.324 489 2HB SER 66 2HB SER 66 -7.621 3.536 -9.522 490 HG SER 66 HG SER 66 -8.110 2.826 -7.466 491 H PHE 67 H PHE 67 -4.468 4.738 -7.137 492 HA PHE 67 HA PHE 67 -2.598 4.645 -9.014 493 1HB PHE 67 1HB PHE 67 -3.184 3.283 -6.419 494 2HB PHE 67 2HB PHE 67 -2.013 2.407 -7.386 495 HD1 PHE 67 HD1 PHE 67 -2.700 5.663 -5.776 496 HD2 PHE 67 HD2 PHE 67 0.219 3.173 -7.589 497 HE1 PHE 67 HE1 PHE 67 -0.888 7.208 -4.980 498 HE2 PHE 67 HE2 PHE 67 2.031 4.717 -6.793 499 HZ PHE 67 HZ PHE 67 1.456 6.716 -5.499 500 H TYR 68 H TYR 68 -3.956 1.487 -7.846 501 HA TYR 68 HA TYR 68 -4.841 0.517 -10.251 502 1HB TYR 68 1HB TYR 68 -2.707 -0.978 -10.682 503 2HB TYR 68 2HB TYR 68 -2.615 0.697 -11.190 504 HD1 TYR 68 HD1 TYR 68 -2.012 -1.250 -8.028 505 HD2 TYR 68 HD2 TYR 68 -0.622 1.771 -10.720 506 HE1 TYR 68 HE1 TYR 68 0.067 -0.925 -6.600 507 HE2 TYR 68 HE2 TYR 68 1.452 2.086 -9.283 508 HH TYR 68 HH TYR 68 2.078 -0.030 -6.532 509 H SER 69 H SER 69 -4.741 -2.043 -10.269 510 HA SER 69 HA SER 69 -4.942 -2.853 -7.473 511 1HB SER 69 1HB SER 69 -6.427 -4.442 -9.506 512 2HB SER 69 2HB SER 69 -6.921 -3.942 -7.900 513 HG SER 69 HG SER 69 -6.670 -1.989 -9.995 514 H VAL 70 H VAL 70 -4.444 -5.203 -7.061 515 HA VAL 70 HA VAL 70 -3.029 -6.595 -9.145 516 HB VAL 70 HB VAL 70 -1.022 -6.831 -7.547 517 1HG1 VAL 70 1HG1 VAL 70 -1.476 -5.313 -9.773 518 2HG1 VAL 70 2HG1 VAL 70 -0.949 -4.075 -8.608 519 3HG1 VAL 70 3HG1 VAL 70 0.099 -5.470 -8.956 520 1HG2 VAL 70 1HG2 VAL 70 -2.557 -5.205 -5.918 521 2HG2 VAL 70 2HG2 VAL 70 -0.811 -5.506 -5.748 522 3HG2 VAL 70 3HG2 VAL 70 -1.386 -4.070 -6.629 523 H THR 71 H THR 71 -3.089 -8.817 -8.811 524 HA THR 71 HA THR 71 -4.630 -9.640 -6.468 525 HB THR 71 HB THR 71 -4.033 -10.778 -9.228 526 HG1 THR 71 HG1 THR 71 -6.402 -10.676 -9.148 527 1HG2 THR 71 1HG2 THR 71 -3.977 -12.545 -7.221 528 2HG2 THR 71 2HG2 THR 71 -5.729 -12.238 -7.183 529 3HG2 THR 71 3HG2 THR 71 -4.969 -12.871 -8.663 530 H LEU 72 H LEU 72 -3.791 -10.686 -4.770 531 HA LEU 72 HA LEU 72 -0.983 -11.475 -5.019 532 1HB LEU 72 1HB LEU 72 -2.710 -10.730 -2.664 533 2HB LEU 72 2HB LEU 72 -1.140 -11.486 -2.483 534 HG LEU 72 HG LEU 72 -1.325 -8.922 -2.290 535 1HD1 LEU 72 1HD1 LEU 72 0.740 -10.625 -2.969 536 2HD1 LEU 72 2HD1 LEU 72 0.828 -9.359 -4.218 537 3HD1 LEU 72 3HD1 LEU 72 0.896 -8.916 -2.495 538 1HD2 LEU 72 1HD2 LEU 72 -2.677 -8.601 -4.330 539 2HD2 LEU 72 2HD2 LEU 72 -1.172 -7.651 -4.345 540 3HD2 LEU 72 3HD2 LEU 72 -1.294 -9.141 -5.312 541 H GLY 73 H GLY 73 -0.451 -13.436 -3.461 542 1HA GLY 73 1HA GLY 73 -2.585 -15.425 -3.427 543 2HA GLY 73 2HA GLY 73 -1.224 -15.754 -4.480 544 H THR 74 H THR 74 1.052 -15.260 -3.323 545 HA THR 74 HA THR 74 1.548 -17.157 -1.489 546 HB THR 74 HB THR 74 2.800 -14.392 -1.870 547 HG1 THR 74 HG1 THR 74 3.007 -15.772 -3.688 548 1HG2 THR 74 1HG2 THR 74 3.434 -15.551 0.362 549 2HG2 THR 74 2HG2 THR 74 4.106 -16.863 -0.636 550 3HG2 THR 74 3HG2 THR 74 4.780 -15.219 -0.755 551 HA PRO 75 HA PRO 75 -0.491 -15.935 2.117 552 1HB PRO 75 1HB PRO 75 0.298 -18.006 3.716 553 2HB PRO 75 2HB PRO 75 -1.060 -18.111 2.612 554 1HG PRO 75 1HG PRO 75 1.643 -19.277 2.341 555 2HG PRO 75 2HG PRO 75 0.172 -19.707 1.492 556 1HD PRO 75 1HD PRO 75 2.358 -18.161 0.462 557 2HD PRO 75 2HD PRO 75 0.837 -18.493 -0.344 558 H GLY 76 H GLY 76 -0.176 -14.681 3.913 559 1HA GLY 76 1HA GLY 76 1.720 -14.579 5.703 560 2HA GLY 76 2HA GLY 76 2.651 -14.020 4.327 561 H THR 77 H THR 77 2.656 -12.147 6.129 562 HA THR 77 HA THR 77 0.386 -10.367 5.531 563 HB THR 77 HB THR 77 2.286 -10.512 7.932 564 HG1 THR 77 HG1 THR 77 0.006 -11.003 8.826 565 1HG2 THR 77 1HG2 THR 77 -0.179 -8.771 7.389 566 2HG2 THR 77 2HG2 THR 77 0.661 -8.899 8.954 567 3HG2 THR 77 3HG2 THR 77 1.490 -8.176 7.555 568 H TYR 78 H TYR 78 0.818 -8.947 3.968 569 HA TYR 78 HA TYR 78 3.560 -8.234 3.432 570 1HB TYR 78 1HB TYR 78 0.764 -7.563 2.341 571 2HB TYR 78 2HB TYR 78 2.200 -6.817 1.669 572 HD1 TYR 78 HD1 TYR 78 1.180 -10.313 2.622 573 HD2 TYR 78 HD2 TYR 78 2.876 -7.735 -0.342 574 HE1 TYR 78 HE1 TYR 78 1.486 -12.297 1.061 575 HE2 TYR 78 HE2 TYR 78 3.177 -9.727 -1.892 576 HH TYR 78 HH TYR 78 1.741 -12.197 -1.947 577 H SER 79 H SER 79 4.562 -6.282 3.851 578 HA SER 79 HA SER 79 2.892 -4.338 5.247 579 1HB SER 79 1HB SER 79 5.414 -3.778 6.167 580 2HB SER 79 2HB SER 79 4.264 -4.797 7.008 581 HG SER 79 HG SER 79 6.506 -5.561 5.388 582 H PHE 80 H PHE 80 3.145 -2.141 4.645 583 HA PHE 80 HA PHE 80 5.220 -1.562 2.680 584 1HB PHE 80 1HB PHE 80 3.139 -0.196 1.606 585 2HB PHE 80 2HB PHE 80 3.424 -1.870 1.172 586 HD1 PHE 80 HD1 PHE 80 2.252 -3.619 2.815 587 HD2 PHE 80 HD2 PHE 80 1.007 0.398 2.250 588 HE1 PHE 80 HE1 PHE 80 -0.049 -4.219 3.619 589 HE2 PHE 80 HE2 PHE 80 -1.294 -0.201 3.053 590 HZ PHE 80 HZ PHE 80 -1.794 -2.503 3.728 591 H TYR 81 H TYR 81 5.223 0.923 2.207 592 HA TYR 81 HA TYR 81 4.118 2.551 4.297 593 1HB TYR 81 1HB TYR 81 6.435 3.259 5.047 594 2HB TYR 81 2HB TYR 81 6.163 1.557 5.362 595 HD1 TYR 81 HD1 TYR 81 7.563 3.794 2.693 596 HD2 TYR 81 HD2 TYR 81 7.783 0.022 4.702 597 HE1 TYR 81 HE1 TYR 81 9.657 3.207 1.377 598 HE2 TYR 81 HE2 TYR 81 9.877 -0.551 3.379 599 HH TYR 81 HH TYR 81 11.649 0.594 2.231 600 H CYS 82 H CYS 82 4.654 4.893 3.949 601 HA CYS 82 HA CYS 82 4.669 5.401 1.134 602 1HB CYS 82 1HB CYS 82 3.381 6.571 3.173 603 2HB CYS 82 2HB CYS 82 4.778 7.627 3.104 604 H THR 83 H THR 83 6.253 6.816 0.062 605 HA THR 83 HA THR 83 8.916 6.376 1.076 606 HB THR 83 HB THR 83 7.552 7.024 -1.467 607 HG1 THR 83 HG1 THR 83 10.143 5.992 -0.550 608 1HG2 THR 83 1HG2 THR 83 10.057 8.513 -0.611 609 2HG2 THR 83 2HG2 THR 83 9.902 7.947 -2.292 610 3HG2 THR 83 3HG2 THR 83 8.711 9.089 -1.624 611 HA PRO 84 HA PRO 84 8.732 11.061 1.397 612 1HB PRO 84 1HB PRO 84 6.384 12.400 0.996 613 2HB PRO 84 2HB PRO 84 7.593 12.189 -0.255 614 1HG PRO 84 1HG PRO 84 4.998 10.810 0.067 615 2HG PRO 84 2HG PRO 84 6.006 10.933 -1.361 616 1HD PRO 84 1HD PRO 84 5.740 8.654 0.360 617 2HD PRO 84 2HD PRO 84 6.834 8.819 -0.999 618 H HIS 85 H HIS 85 5.703 9.614 2.416 619 HA HIS 85 HA HIS 85 5.935 11.057 4.920 620 1HB HIS 85 1HB HIS 85 3.774 9.208 3.868 621 2HB HIS 85 2HB HIS 85 3.707 10.078 5.388 622 HD2 HIS 85 HD2 HIS 85 3.810 13.044 4.963 623 HE1 HIS 85 HE1 HIS 85 1.959 12.680 1.147 624 HE2 HIS 85 HE2 HIS 85 2.565 14.262 3.103 625 H ARG 86 H ARG 86 8.025 9.155 4.280 626 HA ARG 86 HA ARG 86 7.472 6.700 5.479 627 1HB ARG 86 1HB ARG 86 9.606 7.865 4.056 628 2HB ARG 86 2HB ARG 86 10.296 7.563 5.638 629 1HG ARG 86 1HG ARG 86 10.162 5.266 5.419 630 2HG ARG 86 2HG ARG 86 8.649 5.328 4.537 631 1HD ARG 86 1HD ARG 86 9.954 4.777 2.730 632 2HD ARG 86 2HD ARG 86 10.308 6.493 2.689 633 HE ARG 86 HE ARG 86 12.478 6.055 3.475 634 1HH1 ARG 86 1HH1 ARG 86 10.466 3.203 3.926 635 2HH1 ARG 86 2HH1 ARG 86 11.791 2.183 4.376 636 1HH2 ARG 86 1HH2 ARG 86 14.227 4.708 4.067 637 2HH2 ARG 86 2HH2 ARG 86 13.945 3.044 4.457 638 H GLY 87 H GLY 87 8.093 9.886 6.733 639 1HA GLY 87 1HA GLY 87 8.917 8.824 9.356 640 2HA GLY 87 2HA GLY 87 9.116 10.470 8.788 641 H ALA 88 H ALA 88 6.313 10.437 7.548 642 HA ALA 88 HA ALA 88 4.976 11.557 9.742 643 1HB ALA 88 1HB ALA 88 4.603 11.176 6.890 644 2HB ALA 88 2HB ALA 88 3.086 10.841 7.760 645 3HB ALA 88 3HB ALA 88 3.900 12.410 7.963 646 H GLY 89 H GLY 89 5.367 8.266 8.598 647 1HA GLY 89 1HA GLY 89 4.847 6.404 9.869 648 2HA GLY 89 2HA GLY 89 3.686 7.332 10.795 649 H MET 90 H MET 90 4.169 6.666 7.246 650 HA MET 90 HA MET 90 1.332 5.999 7.177 651 1HB MET 90 1HB MET 90 3.284 7.271 5.241 652 2HB MET 90 2HB MET 90 1.966 6.342 4.556 653 1HG MET 90 1HG MET 90 0.594 7.841 6.416 654 2HG MET 90 2HG MET 90 1.890 8.951 6.015 655 1HE MET 90 1HE MET 90 -0.321 6.316 4.593 656 2HE MET 90 2HE MET 90 -1.097 7.026 3.156 657 3HE MET 90 3HE MET 90 0.556 6.374 3.045 658 H VAL 91 H VAL 91 1.739 3.784 7.909 659 HA VAL 91 HA VAL 91 2.799 2.137 5.725 660 HB VAL 91 HB VAL 91 3.730 0.620 7.435 661 1HG1 VAL 91 1HG1 VAL 91 4.842 2.892 6.376 662 2HG1 VAL 91 2HG1 VAL 91 5.127 3.126 8.118 663 3HG1 VAL 91 3HG1 VAL 91 5.726 1.659 7.307 664 1HG2 VAL 91 1HG2 VAL 91 2.809 2.802 9.313 665 2HG2 VAL 91 2HG2 VAL 91 2.514 1.048 9.402 666 3HG2 VAL 91 3HG2 VAL 91 4.138 1.695 9.738 667 H GLY 92 H GLY 92 1.714 0.126 5.416 668 1HA GLY 92 1HA GLY 92 -0.775 -0.165 6.987 669 2HA GLY 92 2HA GLY 92 -0.750 -0.281 5.238 670 H THR 93 H THR 93 -1.715 -2.493 5.830 671 HA THR 93 HA THR 93 0.402 -4.436 5.661 672 HB THR 93 HB THR 93 -1.455 -5.189 7.829 673 HG1 THR 93 HG1 THR 93 -1.108 -3.354 9.033 674 1HG2 THR 93 1HG2 THR 93 0.812 -6.258 7.327 675 2HG2 THR 93 2HG2 THR 93 1.573 -4.736 7.852 676 3HG2 THR 93 3HG2 THR 93 0.629 -5.704 9.009 677 H ILE 94 H ILE 94 -0.266 -6.402 4.757 678 HA ILE 94 HA ILE 94 -3.113 -6.612 4.166 679 HB ILE 94 HB ILE 94 -0.899 -6.487 2.128 680 1HG1 ILE 94 1HG1 ILE 94 -3.516 -5.053 1.914 681 2HG1 ILE 94 2HG1 ILE 94 -2.334 -4.448 3.057 682 1HG2 ILE 94 1HG2 ILE 94 -3.699 -7.596 1.820 683 2HG2 ILE 94 2HG2 ILE 94 -2.653 -7.121 0.460 684 3HG2 ILE 94 3HG2 ILE 94 -2.154 -8.438 1.549 685 1HD1 ILE 94 1HD1 ILE 94 -0.991 -5.099 0.565 686 2HD1 ILE 94 2HD1 ILE 94 -2.384 -4.038 0.239 687 3HD1 ILE 94 3HD1 ILE 94 -1.122 -3.524 1.386 688 H THR 95 H THR 95 -3.815 -8.623 4.645 689 HA THR 95 HA THR 95 -1.757 -10.710 4.881 690 HB THR 95 HB THR 95 -4.556 -10.581 6.112 691 HG1 THR 95 HG1 THR 95 -1.864 -9.749 6.921 692 1HG2 THR 95 1HG2 THR 95 -2.330 -12.510 6.164 693 2HG2 THR 95 2HG2 THR 95 -2.697 -11.889 7.791 694 3HG2 THR 95 3HG2 THR 95 -3.971 -12.677 6.832 695 H VAL 96 H VAL 96 -1.979 -12.710 3.894 696 HA VAL 96 HA VAL 96 -4.249 -12.913 2.044 697 HB VAL 96 HB VAL 96 -1.308 -13.131 1.536 698 1HG1 VAL 96 1HG1 VAL 96 -3.364 -14.989 0.527 699 2HG1 VAL 96 2HG1 VAL 96 -2.379 -14.222 -0.742 700 3HG1 VAL 96 3HG1 VAL 96 -1.591 -15.142 0.561 701 1HG2 VAL 96 1HG2 VAL 96 -3.014 -11.177 0.944 702 2HG2 VAL 96 2HG2 VAL 96 -1.684 -11.624 -0.151 703 3HG2 VAL 96 3HG2 VAL 96 -3.333 -12.214 -0.468 704 H GLU 97 H GLU 97 -5.175 -14.171 3.875 705 HA GLU 97 HA GLU 97 -3.805 -16.581 4.549 706 1HB GLU 97 1HB GLU 97 -5.302 -15.171 6.103 707 2HB GLU 97 2HB GLU 97 -6.674 -15.835 5.239 708 1HG GLU 97 1HG GLU 97 -6.314 -18.013 6.043 709 2HG GLU 97 2HG GLU 97 -4.595 -17.762 6.273 Start of MODEL 11 1 H ALA 1 H ALA 1 -13.017 -11.082 0.403 2 HA ALA 1 HA ALA 1 -12.017 -10.971 -1.860 3 1HB ALA 1 1HB ALA 1 -14.204 -12.158 -1.253 4 2HB ALA 1 2HB ALA 1 -15.043 -10.730 -1.905 5 3HB ALA 1 3HB ALA 1 -14.000 -11.709 -2.963 6 H SER 2 H SER 2 -11.064 -9.373 -3.017 7 HA SER 2 HA SER 2 -10.814 -7.576 -4.209 8 1HB SER 2 1HB SER 2 -13.847 -7.251 -4.112 9 2HB SER 2 2HB SER 2 -12.769 -6.417 -5.215 10 HG SER 2 HG SER 2 -12.112 -8.585 -6.013 11 H VAL 3 H VAL 3 -9.680 -6.430 -2.562 12 HA VAL 3 HA VAL 3 -11.346 -4.537 -1.050 13 HB VAL 3 HB VAL 3 -9.412 -4.555 0.567 14 1HG1 VAL 3 1HG1 VAL 3 -11.656 -5.893 0.677 15 2HG1 VAL 3 2HG1 VAL 3 -10.613 -7.309 0.403 16 3HG1 VAL 3 3HG1 VAL 3 -10.346 -6.269 1.823 17 1HG2 VAL 3 1HG2 VAL 3 -8.634 -7.030 -1.011 18 2HG2 VAL 3 2HG2 VAL 3 -7.702 -5.520 -0.883 19 3HG2 VAL 3 3HG2 VAL 3 -7.943 -6.542 0.555 20 H GLN 4 H GLN 4 -9.741 -2.598 -0.304 21 HA GLN 4 HA GLN 4 -7.978 -1.935 -2.484 22 1HB GLN 4 1HB GLN 4 -9.116 0.389 -2.612 23 2HB GLN 4 2HB GLN 4 -9.912 -0.948 -3.416 24 1HG GLN 4 1HG GLN 4 -11.487 -1.227 -1.574 25 2HG GLN 4 2HG GLN 4 -10.596 -0.104 -0.565 26 1HE2 GLN 4 2HE2 GLN 4 -12.997 0.602 -0.611 27 2HE2 GLN 4 1HE2 GLN 4 -13.395 1.872 -1.721 28 H ILE 5 H ILE 5 -6.649 0.060 -1.965 29 HA ILE 5 HA ILE 5 -6.528 0.467 0.941 30 HB ILE 5 HB ILE 5 -4.372 -0.167 -1.033 31 1HG1 ILE 5 1HG1 ILE 5 -5.233 -2.006 0.264 32 2HG1 ILE 5 2HG1 ILE 5 -3.609 -1.631 0.805 33 1HG2 ILE 5 1HG2 ILE 5 -3.699 1.980 -0.086 34 2HG2 ILE 5 2HG2 ILE 5 -3.949 1.348 1.559 35 3HG2 ILE 5 3HG2 ILE 5 -2.674 0.659 0.526 36 1HD1 ILE 5 1HD1 ILE 5 -5.247 0.008 2.409 37 2HD1 ILE 5 2HD1 ILE 5 -6.126 -1.536 2.300 38 3HD1 ILE 5 3HD1 ILE 5 -4.453 -1.504 2.906 39 H LYS 6 H LYS 6 -7.013 2.521 1.475 40 HA LYS 6 HA LYS 6 -6.711 4.544 -0.609 41 1HB LYS 6 1HB LYS 6 -8.616 4.039 1.548 42 2HB LYS 6 2HB LYS 6 -8.021 5.687 1.572 43 1HG LYS 6 1HG LYS 6 -8.570 5.907 -0.871 44 2HG LYS 6 2HG LYS 6 -9.196 4.270 -0.868 45 1HD LYS 6 1HD LYS 6 -10.953 4.871 0.731 46 2HD LYS 6 2HD LYS 6 -10.259 6.461 0.971 47 1HE LYS 6 1HE LYS 6 -11.434 7.272 -0.791 48 2HE LYS 6 2HE LYS 6 -10.670 6.114 -1.862 49 1HZ LYS 6 1HZ LYS 6 -12.356 4.502 -0.861 50 2HZ LYS 6 2HZ LYS 6 -13.169 5.837 -0.387 51 3HZ LYS 6 3HZ LYS 6 -12.879 5.578 -1.973 52 H MET 7 H MET 7 -5.309 6.265 -0.432 53 HA MET 7 HA MET 7 -3.592 6.153 1.922 54 1HB MET 7 1HB MET 7 -3.167 6.995 -0.982 55 2HB MET 7 2HB MET 7 -2.055 7.535 0.260 56 1HG MET 7 1HG MET 7 -1.208 5.391 0.645 57 2HG MET 7 2HG MET 7 -2.708 4.596 0.209 58 1HE MET 7 1HE MET 7 -3.073 3.434 -1.599 59 2HE MET 7 2HE MET 7 -3.529 4.735 -2.725 60 3HE MET 7 3HE MET 7 -2.325 3.519 -3.213 61 H GLY 8 H GLY 8 -4.477 7.603 3.388 62 1HA GLY 8 1HA GLY 8 -4.298 9.900 4.041 63 2HA GLY 8 2HA GLY 8 -4.776 10.379 2.424 64 H THR 9 H THR 9 -5.959 10.802 5.265 65 HA THR 9 HA THR 9 -8.613 9.637 4.787 66 HB THR 9 HB THR 9 -8.836 10.508 7.270 67 HG1 THR 9 HG1 THR 9 -6.712 10.850 8.183 68 1HG2 THR 9 1HG2 THR 9 -7.149 8.196 6.281 69 2HG2 THR 9 2HG2 THR 9 -7.124 8.583 8.018 70 3HG2 THR 9 3HG2 THR 9 -8.659 8.161 7.223 71 H ASP 10 H ASP 10 -10.521 11.022 5.247 72 HA ASP 10 HA ASP 10 -10.484 13.207 3.620 73 1HB ASP 10 1HB ASP 10 -12.408 11.782 4.935 74 2HB ASP 10 2HB ASP 10 -12.403 13.226 5.929 75 H LYS 11 H LYS 11 -9.329 12.799 6.879 76 HA LYS 11 HA LYS 11 -9.590 15.612 7.540 77 1HB LYS 11 1HB LYS 11 -9.255 13.113 8.997 78 2HB LYS 11 2HB LYS 11 -8.096 14.317 9.523 79 1HG LYS 11 1HG LYS 11 -9.802 15.886 10.114 80 2HG LYS 11 2HG LYS 11 -11.021 15.057 9.165 81 1HD LYS 11 1HD LYS 11 -9.804 13.336 11.249 82 2HD LYS 11 2HD LYS 11 -10.608 14.746 11.909 83 1HE LYS 11 1HE LYS 11 -12.660 14.161 10.540 84 2HE LYS 11 2HE LYS 11 -11.851 12.701 10.008 85 1HZ LYS 11 1HZ LYS 11 -11.554 12.339 12.525 86 2HZ LYS 11 2HZ LYS 11 -12.806 13.380 12.668 87 3HZ LYS 11 3HZ LYS 11 -12.989 11.992 11.828 88 H TYR 12 H TYR 12 -8.092 15.114 5.181 89 HA TYR 12 HA TYR 12 -6.042 15.280 4.273 90 1HB TYR 12 1HB TYR 12 -5.917 17.350 6.554 91 2HB TYR 12 2HB TYR 12 -4.998 17.447 5.066 92 HD1 TYR 12 HD1 TYR 12 -6.544 17.337 2.848 93 HD2 TYR 12 HD2 TYR 12 -7.830 18.648 6.712 94 HE1 TYR 12 HE1 TYR 12 -8.430 18.664 1.778 95 HE2 TYR 12 HE2 TYR 12 -9.712 19.970 5.628 96 HH TYR 12 HH TYR 12 -9.891 21.038 3.020 97 H ALA 13 H ALA 13 -6.156 13.317 6.528 98 HA ALA 13 HA ALA 13 -3.487 13.662 7.673 99 1HB ALA 13 1HB ALA 13 -6.004 12.661 8.622 100 2HB ALA 13 2HB ALA 13 -4.829 11.324 8.634 101 3HB ALA 13 3HB ALA 13 -4.472 12.832 9.511 102 HA PRO 14 HA PRO 14 -2.171 10.806 4.634 103 1HB PRO 14 1HB PRO 14 0.503 10.927 5.186 104 2HB PRO 14 2HB PRO 14 -0.308 12.060 4.123 105 1HG PRO 14 1HG PRO 14 0.640 12.471 6.893 106 2HG PRO 14 2HG PRO 14 0.226 13.670 5.686 107 1HD PRO 14 1HD PRO 14 -1.369 12.876 7.933 108 2HD PRO 14 2HD PRO 14 -1.831 13.990 6.662 109 H LEU 15 H LEU 15 -3.176 8.922 5.265 110 HA LEU 15 HA LEU 15 -1.365 7.153 6.631 111 1HB LEU 15 1HB LEU 15 -2.974 6.514 8.363 112 2HB LEU 15 2HB LEU 15 -2.368 8.149 8.547 113 HG LEU 15 HG LEU 15 -4.661 8.601 7.121 114 1HD1 LEU 15 1HD1 LEU 15 -4.905 5.944 8.258 115 2HD1 LEU 15 2HD1 LEU 15 -6.138 7.049 8.913 116 3HD1 LEU 15 3HD1 LEU 15 -5.991 6.821 7.154 117 1HD2 LEU 15 1HD2 LEU 15 -3.781 9.719 9.199 118 2HD2 LEU 15 2HD2 LEU 15 -5.548 9.523 9.123 119 3HD2 LEU 15 3HD2 LEU 15 -4.575 8.434 10.139 120 H TYR 16 H TYR 16 -1.931 4.913 6.306 121 HA TYR 16 HA TYR 16 -3.427 4.554 3.883 122 1HB TYR 16 1HB TYR 16 -1.715 2.993 5.857 123 2HB TYR 16 2HB TYR 16 -2.750 2.057 4.798 124 HD1 TYR 16 HD1 TYR 16 -2.620 3.192 2.210 125 HD2 TYR 16 HD2 TYR 16 0.485 3.014 5.148 126 HE1 TYR 16 HE1 TYR 16 -0.867 3.340 0.375 127 HE2 TYR 16 HE2 TYR 16 2.228 3.163 3.302 128 HH TYR 16 HH TYR 16 2.525 3.727 1.151 129 H GLU 17 H GLU 17 -5.514 3.886 3.665 130 HA GLU 17 HA GLU 17 -6.742 2.756 6.055 131 1HB GLU 17 1HB GLU 17 -7.351 5.234 5.414 132 2HB GLU 17 2HB GLU 17 -8.296 4.507 4.130 133 1HG GLU 17 1HG GLU 17 -9.531 3.130 5.813 134 2HG GLU 17 2HG GLU 17 -8.580 3.844 7.100 135 HA PRO 18 HA PRO 18 -8.087 1.666 6.618 136 1HB PRO 18 1HB PRO 18 -8.299 -0.971 7.306 137 2HB PRO 18 2HB PRO 18 -9.679 0.023 6.882 138 1HG PRO 18 1HG PRO 18 -8.337 -2.065 5.277 139 2HG PRO 18 2HG PRO 18 -9.932 -1.375 5.064 140 1HD PRO 18 1HD PRO 18 -7.586 -0.782 3.524 141 2HD PRO 18 2HD PRO 18 -9.153 -0.008 3.387 142 H LYS 19 H LYS 19 -6.866 1.168 8.588 143 HA LYS 19 HA LYS 19 -4.169 1.385 8.095 144 1HB LYS 19 1HB LYS 19 -5.924 1.035 10.399 145 2HB LYS 19 2HB LYS 19 -4.381 0.238 10.630 146 1HG LYS 19 1HG LYS 19 -3.491 2.579 9.558 147 2HG LYS 19 2HG LYS 19 -4.979 3.159 10.277 148 1HD LYS 19 1HD LYS 19 -4.299 2.615 12.472 149 2HD LYS 19 2HD LYS 19 -3.161 1.396 11.932 150 1HE LYS 19 1HE LYS 19 -1.547 2.979 12.212 151 2HE LYS 19 2HE LYS 19 -2.152 3.708 10.738 152 1HZ LYS 19 1HZ LYS 19 -3.833 4.764 12.385 153 2HZ LYS 19 2HZ LYS 19 -2.666 4.471 13.488 154 3HZ LYS 19 3HZ LYS 19 -2.347 5.412 12.192 155 H ALA 20 H ALA 20 -6.218 -1.525 8.561 156 HA ALA 20 HA ALA 20 -3.913 -3.107 7.667 157 1HB ALA 20 1HB ALA 20 -4.527 -3.218 10.204 158 2HB ALA 20 2HB ALA 20 -5.935 -4.159 9.654 159 3HB ALA 20 3HB ALA 20 -4.287 -4.739 9.312 160 H LEU 21 H LEU 21 -4.504 -5.043 6.446 161 HA LEU 21 HA LEU 21 -7.293 -5.199 5.647 162 1HB LEU 21 1HB LEU 21 -6.676 -3.723 3.994 163 2HB LEU 21 2HB LEU 21 -5.042 -4.344 3.881 164 HG LEU 21 HG LEU 21 -5.854 -6.354 2.735 165 1HD1 LEU 21 1HD1 LEU 21 -8.312 -5.731 3.878 166 2HD1 LEU 21 2HD1 LEU 21 -8.545 -5.427 2.140 167 3HD1 LEU 21 3HD1 LEU 21 -7.976 -7.020 2.697 168 1HD2 LEU 21 1HD2 LEU 21 -5.786 -3.724 1.711 169 2HD2 LEU 21 2HD2 LEU 21 -5.563 -5.255 0.832 170 3HD2 LEU 21 3HD2 LEU 21 -7.183 -4.529 0.958 171 H SER 22 H SER 22 -7.907 -7.285 4.982 172 HA SER 22 HA SER 22 -5.740 -9.230 5.027 173 1HB SER 22 1HB SER 22 -6.995 -9.212 7.209 174 2HB SER 22 2HB SER 22 -8.470 -9.587 6.342 175 HG SER 22 HG SER 22 -7.857 -11.615 6.746 176 H ILE 23 H ILE 23 -5.969 -10.964 3.531 177 HA ILE 23 HA ILE 23 -8.463 -11.178 2.078 178 HB ILE 23 HB ILE 23 -7.411 -10.914 -0.100 179 1HG1 ILE 23 1HG1 ILE 23 -4.965 -9.750 1.221 180 2HG1 ILE 23 2HG1 ILE 23 -5.064 -11.464 0.876 181 1HG2 ILE 23 1HG2 ILE 23 -8.526 -9.010 1.147 182 2HG2 ILE 23 2HG2 ILE 23 -6.890 -8.426 1.535 183 3HG2 ILE 23 3HG2 ILE 23 -7.411 -8.551 -0.162 184 1HD1 ILE 23 1HD1 ILE 23 -5.815 -9.560 -1.333 185 2HD1 ILE 23 2HD1 ILE 23 -4.090 -9.734 -0.924 186 3HD1 ILE 23 3HD1 ILE 23 -5.033 -11.157 -1.430 187 H SER 24 H SER 24 -7.770 -12.936 0.111 188 HA SER 24 HA SER 24 -6.357 -15.014 1.592 189 1HB SER 24 1HB SER 24 -8.706 -15.488 -0.290 190 2HB SER 24 2HB SER 24 -7.927 -16.671 0.743 191 HG SER 24 HG SER 24 -8.811 -14.467 2.192 192 H ALA 25 H ALA 25 -5.695 -16.890 -0.045 193 HA ALA 25 HA ALA 25 -4.032 -15.690 -1.985 194 1HB ALA 25 1HB ALA 25 -3.534 -17.776 -0.694 195 2HB ALA 25 2HB ALA 25 -4.805 -18.612 -1.618 196 3HB ALA 25 3HB ALA 25 -3.363 -17.985 -2.453 197 H GLY 26 H GLY 26 -4.910 -14.689 -3.747 198 1HA GLY 26 1HA GLY 26 -5.664 -15.363 -6.001 199 2HA GLY 26 2HA GLY 26 -6.999 -16.186 -5.218 200 H ASP 27 H ASP 27 -6.595 -13.629 -3.201 201 HA ASP 27 HA ASP 27 -8.755 -12.238 -4.429 202 1HB ASP 27 1HB ASP 27 -7.172 -11.877 -1.852 203 2HB ASP 27 2HB ASP 27 -8.395 -10.720 -2.337 204 H THR 28 H THR 28 -8.542 -9.633 -4.281 205 HA THR 28 HA THR 28 -5.854 -8.859 -5.196 206 HB THR 28 HB THR 28 -8.516 -7.933 -6.391 207 HG1 THR 28 HG1 THR 28 -7.552 -9.424 -8.148 208 1HG2 THR 28 1HG2 THR 28 -6.353 -6.513 -6.692 209 2HG2 THR 28 2HG2 THR 28 -5.713 -7.902 -7.602 210 3HG2 THR 28 3HG2 THR 28 -7.164 -7.051 -8.182 211 H VAL 29 H VAL 29 -5.356 -6.557 -4.942 212 HA VAL 29 HA VAL 29 -7.047 -5.262 -2.937 213 HB VAL 29 HB VAL 29 -4.042 -5.561 -2.760 214 1HG1 VAL 29 1HG1 VAL 29 -6.041 -4.252 -0.885 215 2HG1 VAL 29 2HG1 VAL 29 -4.315 -4.507 -0.535 216 3HG1 VAL 29 3HG1 VAL 29 -4.803 -3.428 -1.863 217 1HG2 VAL 29 1HG2 VAL 29 -5.346 -7.657 -2.274 218 2HG2 VAL 29 2HG2 VAL 29 -4.387 -7.045 -0.907 219 3HG2 VAL 29 3HG2 VAL 29 -6.146 -6.781 -0.948 220 H GLU 30 H GLU 30 -7.705 -3.388 -3.845 221 HA GLU 30 HA GLU 30 -6.125 -2.273 -5.953 222 1HB GLU 30 1HB GLU 30 -8.799 -2.421 -5.590 223 2HB GLU 30 2HB GLU 30 -8.535 -0.851 -4.859 224 1HG GLU 30 1HG GLU 30 -7.003 -0.674 -7.180 225 2HG GLU 30 2HG GLU 30 -8.352 -1.660 -7.708 226 H PHE 31 H PHE 31 -5.817 0.244 -5.941 227 HA PHE 31 HA PHE 31 -5.279 1.215 -3.248 228 1HB PHE 31 1HB PHE 31 -3.364 0.790 -5.595 229 2HB PHE 31 2HB PHE 31 -3.035 2.068 -4.442 230 HD1 PHE 31 HD1 PHE 31 -3.432 -1.588 -4.798 231 HD2 PHE 31 HD2 PHE 31 -2.111 1.586 -2.310 232 HE1 PHE 31 HE1 PHE 31 -2.308 -3.244 -3.283 233 HE2 PHE 31 HE2 PHE 31 -0.987 -0.070 -0.795 234 HZ PHE 31 HZ PHE 31 -1.100 -2.464 -1.299 235 H VAL 32 H VAL 32 -5.903 3.323 -3.018 236 HA VAL 32 HA VAL 32 -5.995 4.966 -5.434 237 HB VAL 32 HB VAL 32 -8.226 3.859 -4.890 238 1HG1 VAL 32 1HG1 VAL 32 -7.746 4.588 -2.329 239 2HG1 VAL 32 2HG1 VAL 32 -8.739 5.966 -2.860 240 3HG1 VAL 32 3HG1 VAL 32 -9.377 4.308 -2.986 241 1HG2 VAL 32 1HG2 VAL 32 -7.558 6.502 -5.752 242 2HG2 VAL 32 2HG2 VAL 32 -8.958 5.500 -6.207 243 3HG2 VAL 32 3HG2 VAL 32 -9.059 6.586 -4.800 244 H MET 33 H MET 33 -5.764 7.240 -5.018 245 HA MET 33 HA MET 33 -4.535 7.692 -2.430 246 1HB MET 33 1HB MET 33 -3.558 8.231 -4.880 247 2HB MET 33 2HB MET 33 -4.530 9.681 -4.728 248 1HG MET 33 1HG MET 33 -2.990 9.171 -2.274 249 2HG MET 33 2HG MET 33 -1.940 9.276 -3.673 250 1HE MET 33 1HE MET 33 -1.708 10.827 -5.160 251 2HE MET 33 2HE MET 33 -2.626 12.332 -5.401 252 3HE MET 33 3HE MET 33 -1.205 12.319 -4.329 253 H ASN 34 H ASN 34 -5.550 8.883 -0.869 254 HA ASN 34 HA ASN 34 -8.092 9.982 -1.502 255 1HB ASN 34 1HB ASN 34 -6.502 9.357 0.926 256 2HB ASN 34 2HB ASN 34 -7.431 10.833 1.093 257 1HD2 ASN 34 2HD2 ASN 34 -9.180 10.406 2.201 258 2HD2 ASN 34 1HD2 ASN 34 -10.286 9.098 1.951 259 H LYS 35 H LYS 35 -5.090 11.288 0.123 260 HA LYS 35 HA LYS 35 -4.865 13.524 -1.525 261 1HB LYS 35 1HB LYS 35 -5.653 15.305 -0.029 262 2HB LYS 35 2HB LYS 35 -6.963 14.276 -0.574 263 1HG LYS 35 1HG LYS 35 -5.854 13.157 1.864 264 2HG LYS 35 2HG LYS 35 -6.183 14.858 2.126 265 1HD LYS 35 1HD LYS 35 -8.301 13.264 0.703 266 2HD LYS 35 2HD LYS 35 -8.083 12.948 2.413 267 1HE LYS 35 1HE LYS 35 -9.261 14.820 2.907 268 2HE LYS 35 2HE LYS 35 -8.042 15.795 2.113 269 1HZ LYS 35 1HZ LYS 35 -10.033 14.422 0.494 270 2HZ LYS 35 2HZ LYS 35 -10.440 15.808 1.255 271 3HZ LYS 35 3HZ LYS 35 -9.217 15.799 0.173 272 H VAL 36 H VAL 36 -3.757 15.359 0.375 273 HA VAL 36 HA VAL 36 -1.736 15.731 1.220 274 HB VAL 36 HB VAL 36 -3.007 15.001 3.169 275 1HG1 VAL 36 1HG1 VAL 36 -1.969 12.249 2.437 276 2HG1 VAL 36 2HG1 VAL 36 -2.622 12.658 4.041 277 3HG1 VAL 36 3HG1 VAL 36 -3.661 12.777 2.600 278 1HG2 VAL 36 1HG2 VAL 36 -0.561 15.645 3.300 279 2HG2 VAL 36 2HG2 VAL 36 -1.169 14.655 4.649 280 3HG2 VAL 36 3HG2 VAL 36 -0.188 13.906 3.366 281 H GLY 37 H GLY 37 -1.365 14.636 -1.203 282 1HA GLY 37 1HA GLY 37 0.570 12.438 -0.818 283 2HA GLY 37 2HA GLY 37 -0.301 12.795 -2.297 284 HA PRO 38 HA PRO 38 0.771 12.276 -3.621 285 1HB PRO 38 1HB PRO 38 2.934 11.430 -5.059 286 2HB PRO 38 2HB PRO 38 1.777 12.596 -5.667 287 1HG PRO 38 1HG PRO 38 4.521 13.056 -4.670 288 2HG PRO 38 2HG PRO 38 3.522 14.103 -5.657 289 1HD PRO 38 1HD PRO 38 4.053 14.383 -2.853 290 2HD PRO 38 2HD PRO 38 2.964 15.361 -3.815 291 H HIS 39 H HIS 39 1.507 9.842 -3.946 292 HA HIS 39 HA HIS 39 3.075 9.157 -1.586 293 1HB HIS 39 1HB HIS 39 0.466 7.773 -2.238 294 2HB HIS 39 2HB HIS 39 1.479 7.546 -0.826 295 HD2 HIS 39 HD2 HIS 39 -0.932 10.339 -2.284 296 HE1 HIS 39 HE1 HIS 39 -0.490 10.946 1.904 297 HE2 HIS 39 HE2 HIS 39 -1.651 11.726 -0.273 298 H ASN 40 H ASN 40 2.392 6.268 -2.006 299 HA ASN 40 HA ASN 40 2.745 5.388 -4.519 300 1HB ASN 40 1HB ASN 40 5.357 4.823 -4.267 301 2HB ASN 40 2HB ASN 40 4.838 6.331 -4.990 302 1HD2 ASN 40 2HD2 ASN 40 7.056 6.898 -4.302 303 2HD2 ASN 40 1HD2 ASN 40 7.297 7.569 -2.724 304 H VAL 41 H VAL 41 3.638 3.026 -4.499 305 HA VAL 41 HA VAL 41 3.197 1.911 -1.825 306 HB VAL 41 HB VAL 41 2.953 0.688 -4.581 307 1HG1 VAL 41 1HG1 VAL 41 3.509 -0.651 -2.236 308 2HG1 VAL 41 2HG1 VAL 41 1.733 -0.730 -2.315 309 3HG1 VAL 41 3HG1 VAL 41 2.712 -1.350 -3.665 310 1HG2 VAL 41 1HG2 VAL 41 1.181 2.363 -3.172 311 2HG2 VAL 41 2HG2 VAL 41 0.835 1.386 -4.619 312 3HG2 VAL 41 3HG2 VAL 41 0.532 0.715 -2.998 313 H ILE 42 H ILE 42 5.186 1.870 -0.826 314 HA ILE 42 HA ILE 42 7.330 0.569 -2.357 315 HB ILE 42 HB ILE 42 7.662 2.528 -0.089 316 1HG1 ILE 42 1HG1 ILE 42 6.521 3.550 -2.073 317 2HG1 ILE 42 2HG1 ILE 42 8.065 4.267 -1.658 318 1HG2 ILE 42 1HG2 ILE 42 9.456 0.792 -1.566 319 2HG2 ILE 42 2HG2 ILE 42 9.922 2.502 -1.729 320 3HG2 ILE 42 3HG2 ILE 42 9.753 1.775 -0.113 321 1HD1 ILE 42 1HD1 ILE 42 8.858 2.281 -3.412 322 2HD1 ILE 42 2HD1 ILE 42 7.278 2.754 -4.084 323 3HD1 ILE 42 3HD1 ILE 42 8.556 3.975 -3.870 324 H PHE 43 H PHE 43 6.042 -1.411 -1.600 325 HA PHE 43 HA PHE 43 5.556 -2.223 0.868 326 1HB PHE 43 1HB PHE 43 7.001 -3.564 -1.476 327 2HB PHE 43 2HB PHE 43 6.610 -4.495 -0.043 328 HD1 PHE 43 HD1 PHE 43 4.196 -4.752 0.622 329 HD2 PHE 43 HD2 PHE 43 5.353 -3.087 -3.106 330 HE1 PHE 43 HE1 PHE 43 1.893 -5.177 -0.282 331 HE2 PHE 43 HE2 PHE 43 3.051 -3.511 -4.010 332 HZ PHE 43 HZ PHE 43 1.348 -4.551 -2.587 333 H ASP 44 H ASP 44 6.709 -3.484 2.533 334 HA ASP 44 HA ASP 44 9.351 -2.386 2.882 335 1HB ASP 44 1HB ASP 44 7.316 -2.608 4.632 336 2HB ASP 44 2HB ASP 44 8.014 -4.194 4.896 337 H LYS 45 H LYS 45 7.555 -5.550 3.007 338 HA LYS 45 HA LYS 45 9.305 -7.046 1.585 339 1HB LYS 45 1HB LYS 45 10.457 -6.393 4.162 340 2HB LYS 45 2HB LYS 45 10.223 -8.123 4.023 341 1HG LYS 45 1HG LYS 45 11.224 -7.602 1.530 342 2HG LYS 45 2HG LYS 45 11.996 -6.309 2.426 343 1HD LYS 45 1HD LYS 45 12.534 -8.281 4.165 344 2HD LYS 45 2HD LYS 45 12.309 -9.295 2.754 345 1HE LYS 45 1HE LYS 45 14.117 -8.285 1.576 346 2HE LYS 45 2HE LYS 45 14.103 -6.852 2.585 347 1HZ LYS 45 1HZ LYS 45 14.651 -9.428 3.820 348 2HZ LYS 45 2HZ LYS 45 15.837 -8.694 2.970 349 3HZ LYS 45 3HZ LYS 45 15.170 -7.942 4.256 350 H VAL 46 H VAL 46 8.568 -9.201 1.418 351 HA VAL 46 HA VAL 46 6.398 -9.889 3.268 352 HB VAL 46 HB VAL 46 5.062 -10.677 1.445 353 1HG1 VAL 46 1HG1 VAL 46 6.001 -7.873 1.517 354 2HG1 VAL 46 2HG1 VAL 46 5.142 -8.346 0.032 355 3HG1 VAL 46 3HG1 VAL 46 4.353 -8.539 1.616 356 1HG2 VAL 46 1HG2 VAL 46 7.539 -10.688 0.010 357 2HG2 VAL 46 2HG2 VAL 46 5.960 -11.346 -0.481 358 3HG2 VAL 46 3HG2 VAL 46 6.381 -9.660 -0.869 359 HA PRO 47 HA PRO 47 8.382 -13.723 3.434 360 1HB PRO 47 1HB PRO 47 6.331 -15.439 3.996 361 2HB PRO 47 2HB PRO 47 7.086 -14.420 5.205 362 1HG PRO 47 1HG PRO 47 4.455 -14.104 3.894 363 2HG PRO 47 2HG PRO 47 5.040 -13.369 5.374 364 1HD PRO 47 1HD PRO 47 4.802 -12.109 2.808 365 2HD PRO 47 2HD PRO 47 5.494 -11.410 4.259 366 H ALA 48 H ALA 48 8.351 -16.126 2.676 367 HA ALA 48 HA ALA 48 8.424 -17.501 0.945 368 1HB ALA 48 1HB ALA 48 5.915 -15.941 0.394 369 2HB ALA 48 2HB ALA 48 6.539 -17.026 -0.873 370 3HB ALA 48 3HB ALA 48 6.125 -17.675 0.731 371 H GLY 49 H GLY 49 8.432 -17.387 -1.734 372 1HA GLY 49 1HA GLY 49 10.537 -15.455 -2.274 373 2HA GLY 49 2HA GLY 49 10.039 -16.807 -3.272 374 H GLU 50 H GLU 50 8.004 -14.176 -1.838 375 HA GLU 50 HA GLU 50 6.767 -13.799 -4.363 376 1HB GLU 50 1HB GLU 50 6.151 -13.258 -1.635 377 2HB GLU 50 2HB GLU 50 6.156 -11.703 -2.441 378 1HG GLU 50 1HG GLU 50 4.777 -13.952 -3.877 379 2HG GLU 50 2HG GLU 50 3.995 -13.355 -2.428 380 H SER 51 H SER 51 6.315 -11.048 -4.562 381 HA SER 51 HA SER 51 9.034 -10.056 -4.924 382 1HB SER 51 1HB SER 51 6.831 -10.343 -6.814 383 2HB SER 51 2HB SER 51 7.298 -8.658 -6.690 384 HG SER 51 HG SER 51 8.690 -9.428 -8.216 385 H ALA 52 H ALA 52 8.678 -9.242 -2.633 386 HA ALA 52 HA ALA 52 6.665 -7.253 -2.239 387 1HB ALA 52 1HB ALA 52 8.240 -8.906 -0.640 388 2HB ALA 52 2HB ALA 52 8.913 -7.284 -0.352 389 3HB ALA 52 3HB ALA 52 7.183 -7.593 -0.069 390 HA PRO 53 HA PRO 53 10.455 -4.459 -2.700 391 1HB PRO 53 1HB PRO 53 12.834 -5.490 -3.562 392 2HB PRO 53 2HB PRO 53 12.450 -5.251 -1.869 393 1HG PRO 53 1HG PRO 53 12.528 -7.770 -3.414 394 2HG PRO 53 2HG PRO 53 12.569 -7.547 -1.677 395 1HD PRO 53 1HD PRO 53 10.323 -8.395 -3.245 396 2HD PRO 53 2HD PRO 53 10.334 -8.060 -1.525 397 H ALA 54 H ALA 54 9.153 -6.526 -4.831 398 HA ALA 54 HA ALA 54 10.200 -5.000 -7.111 399 1HB ALA 54 1HB ALA 54 9.603 -7.808 -6.631 400 2HB ALA 54 2HB ALA 54 8.676 -7.191 -8.020 401 3HB ALA 54 3HB ALA 54 10.450 -7.051 -8.001 402 H LEU 55 H LEU 55 7.240 -6.189 -5.432 403 HA LEU 55 HA LEU 55 5.402 -5.116 -7.231 404 1HB LEU 55 1HB LEU 55 5.387 -6.093 -4.430 405 2HB LEU 55 2HB LEU 55 4.052 -5.065 -4.909 406 HG LEU 55 HG LEU 55 4.826 -7.466 -6.562 407 1HD1 LEU 55 1HD1 LEU 55 4.111 -7.673 -3.888 408 2HD1 LEU 55 2HD1 LEU 55 2.583 -7.937 -4.763 409 3HD1 LEU 55 3HD1 LEU 55 4.001 -8.951 -5.123 410 1HD2 LEU 55 1HD2 LEU 55 2.571 -5.545 -6.453 411 2HD2 LEU 55 2HD2 LEU 55 3.286 -6.412 -7.833 412 3HD2 LEU 55 3HD2 LEU 55 2.146 -7.247 -6.751 413 H SER 56 H SER 56 7.253 -3.686 -4.526 414 HA SER 56 HA SER 56 5.848 -1.427 -4.103 415 1HB SER 56 1HB SER 56 8.364 -0.437 -3.892 416 2HB SER 56 2HB SER 56 7.650 -1.495 -2.690 417 HG SER 56 HG SER 56 9.269 -2.824 -3.099 418 H ASN 57 H ASN 57 4.925 -0.190 -5.724 419 HA ASN 57 HA ASN 57 6.484 0.289 -8.095 420 1HB ASN 57 1HB ASN 57 3.662 0.174 -7.415 421 2HB ASN 57 2HB ASN 57 3.992 1.750 -8.106 422 1HD2 ASN 57 2HD2 ASN 57 3.666 1.848 -10.180 423 2HD2 ASN 57 1HD2 ASN 57 3.950 0.607 -11.356 424 H THR 58 H THR 58 8.094 1.818 -7.356 425 HA THR 58 HA THR 58 7.641 3.943 -5.644 426 HB THR 58 HB THR 58 9.798 4.727 -6.501 427 HG1 THR 58 HG1 THR 58 10.467 3.623 -8.589 428 1HG2 THR 58 1HG2 THR 58 9.551 2.205 -5.521 429 2HG2 THR 58 2HG2 THR 58 10.071 1.803 -7.176 430 3HG2 THR 58 3HG2 THR 58 11.101 2.822 -6.142 431 H LYS 59 H LYS 59 6.502 3.467 -8.890 432 HA LYS 59 HA LYS 59 6.405 6.078 -9.795 433 1HB LYS 59 1HB LYS 59 5.721 3.669 -10.802 434 2HB LYS 59 2HB LYS 59 4.122 4.279 -10.427 435 1HG LYS 59 1HG LYS 59 5.142 6.510 -11.592 436 2HG LYS 59 2HG LYS 59 6.141 5.316 -12.398 437 1HD LYS 59 1HD LYS 59 4.066 4.070 -13.086 438 2HD LYS 59 2HD LYS 59 3.086 5.302 -12.316 439 1HE LYS 59 1HE LYS 59 3.563 6.912 -13.943 440 2HE LYS 59 2HE LYS 59 5.139 6.238 -14.310 441 1HZ LYS 59 1HZ LYS 59 3.687 4.262 -15.127 442 2HZ LYS 59 2HZ LYS 59 2.536 5.412 -15.280 443 3HZ LYS 59 3HZ LYS 59 3.948 5.557 -16.089 444 H LEU 60 H LEU 60 5.959 7.534 -8.089 445 HA LEU 60 HA LEU 60 3.680 7.227 -6.449 446 1HB LEU 60 1HB LEU 60 4.196 9.704 -5.984 447 2HB LEU 60 2HB LEU 60 5.332 8.470 -5.475 448 HG LEU 60 HG LEU 60 5.828 9.625 -8.161 449 1HD1 LEU 60 1HD1 LEU 60 5.042 11.581 -6.786 450 2HD1 LEU 60 2HD1 LEU 60 6.429 11.293 -5.709 451 3HD1 LEU 60 3HD1 LEU 60 6.702 11.710 -7.417 452 1HD2 LEU 60 1HD2 LEU 60 7.303 8.365 -5.970 453 2HD2 LEU 60 2HD2 LEU 60 7.655 8.424 -7.714 454 3HD2 LEU 60 3HD2 LEU 60 8.136 9.777 -6.661 455 H ALA 61 H ALA 61 1.632 8.209 -6.550 456 HA ALA 61 HA ALA 61 0.926 9.093 -9.247 457 1HB ALA 61 1HB ALA 61 -0.251 7.138 -8.192 458 2HB ALA 61 2HB ALA 61 -0.858 8.239 -6.934 459 3HB ALA 61 3HB ALA 61 -1.338 8.476 -8.631 460 H ILE 62 H ILE 62 0.930 11.258 -9.567 461 HA ILE 62 HA ILE 62 0.703 13.007 -7.287 462 HB ILE 62 HB ILE 62 0.948 13.743 -10.199 463 1HG1 ILE 62 1HG1 ILE 62 2.692 12.068 -9.436 464 2HG1 ILE 62 2HG1 ILE 62 3.293 13.582 -10.083 465 1HG2 ILE 62 1HG2 ILE 62 1.443 15.180 -7.593 466 2HG2 ILE 62 2HG2 ILE 62 2.181 15.711 -9.124 467 3HG2 ILE 62 3HG2 ILE 62 0.408 15.658 -8.960 468 1HD1 ILE 62 1HD1 ILE 62 3.384 14.434 -7.647 469 2HD1 ILE 62 2HD1 ILE 62 3.121 12.742 -7.162 470 3HD1 ILE 62 3HD1 ILE 62 4.570 13.186 -8.096 471 H ALA 63 H ALA 63 -1.123 12.300 -10.335 472 HA ALA 63 HA ALA 63 -3.312 13.937 -9.352 473 1HB ALA 63 1HB ALA 63 -2.506 12.667 -11.955 474 2HB ALA 63 2HB ALA 63 -4.226 13.037 -11.682 475 3HB ALA 63 3HB ALA 63 -3.014 14.339 -11.615 476 HA PRO 64 HA PRO 64 -5.446 10.492 -7.824 477 1HB PRO 64 1HB PRO 64 -7.956 11.550 -7.595 478 2HB PRO 64 2HB PRO 64 -6.694 11.811 -6.409 479 1HG PRO 64 1HG PRO 64 -7.733 13.679 -8.451 480 2HG PRO 64 2HG PRO 64 -6.801 14.035 -7.010 481 1HD PRO 64 1HD PRO 64 -5.830 13.973 -9.708 482 2HD PRO 64 2HD PRO 64 -4.879 14.214 -8.258 483 H GLY 65 H GLY 65 -6.230 8.610 -8.580 484 1HA GLY 65 1HA GLY 65 -8.315 8.456 -10.423 485 2HA GLY 65 2HA GLY 65 -6.822 8.471 -11.339 486 H SER 66 H SER 66 -7.278 7.129 -8.024 487 HA SER 66 HA SER 66 -6.888 5.156 -7.202 488 1HB SER 66 1HB SER 66 -8.798 4.801 -9.291 489 2HB SER 66 2HB SER 66 -7.717 3.425 -9.387 490 HG SER 66 HG SER 66 -8.585 2.624 -7.605 491 H PHE 67 H PHE 67 -4.691 4.783 -6.996 492 HA PHE 67 HA PHE 67 -2.763 4.793 -8.811 493 1HB PHE 67 1HB PHE 67 -3.372 3.417 -6.249 494 2HB PHE 67 2HB PHE 67 -2.219 2.501 -7.198 495 HD1 PHE 67 HD1 PHE 67 -0.281 4.055 -8.256 496 HD2 PHE 67 HD2 PHE 67 -2.509 4.935 -4.753 497 HE1 PHE 67 HE1 PHE 67 1.567 5.555 -7.457 498 HE2 PHE 67 HE2 PHE 67 -0.662 6.434 -3.954 499 HZ PHE 67 HZ PHE 67 1.354 6.726 -5.315 500 H TYR 68 H TYR 68 -3.911 1.528 -7.743 501 HA TYR 68 HA TYR 68 -4.680 0.623 -10.262 502 1HB TYR 68 1HB TYR 68 -2.535 -0.837 -10.570 503 2HB TYR 68 2HB TYR 68 -2.343 0.866 -10.931 504 HD1 TYR 68 HD1 TYR 68 -1.706 -1.736 -8.357 505 HD2 TYR 68 HD2 TYR 68 -0.829 2.234 -9.691 506 HE1 TYR 68 HE1 TYR 68 0.207 -1.590 -6.689 507 HE2 TYR 68 HE2 TYR 68 1.082 2.365 -8.019 508 HH TYR 68 HH TYR 68 1.698 -0.309 -5.771 509 H SER 69 H SER 69 -4.488 -1.961 -10.298 510 HA SER 69 HA SER 69 -5.087 -2.777 -7.563 511 1HB SER 69 1HB SER 69 -6.254 -4.696 -9.194 512 2HB SER 69 2HB SER 69 -7.094 -3.352 -8.448 513 HG SER 69 HG SER 69 -5.810 -3.189 -11.038 514 H VAL 70 H VAL 70 -4.457 -5.011 -6.957 515 HA VAL 70 HA VAL 70 -2.619 -6.336 -8.766 516 HB VAL 70 HB VAL 70 -0.979 -6.490 -6.785 517 1HG1 VAL 70 1HG1 VAL 70 -0.461 -5.365 -8.891 518 2HG1 VAL 70 2HG1 VAL 70 -1.298 -3.897 -8.334 519 3HG1 VAL 70 3HG1 VAL 70 0.186 -4.439 -7.515 520 1HG2 VAL 70 1HG2 VAL 70 -2.656 -4.107 -5.968 521 2HG2 VAL 70 2HG2 VAL 70 -2.204 -5.531 -5.001 522 3HG2 VAL 70 3HG2 VAL 70 -0.971 -4.321 -5.435 523 H THR 71 H THR 71 -2.478 -8.575 -8.368 524 HA THR 71 HA THR 71 -4.368 -9.517 -6.316 525 HB THR 71 HB THR 71 -3.511 -10.568 -9.054 526 HG1 THR 71 HG1 THR 71 -5.386 -9.411 -9.335 527 1HG2 THR 71 1HG2 THR 71 -4.684 -12.007 -6.697 528 2HG2 THR 71 2HG2 THR 71 -5.536 -12.227 -8.244 529 3HG2 THR 71 3HG2 THR 71 -3.816 -12.665 -8.105 530 H LEU 72 H LEU 72 -3.822 -11.240 -4.946 531 HA LEU 72 HA LEU 72 -0.944 -11.833 -4.926 532 1HB LEU 72 1HB LEU 72 -2.806 -11.280 -2.617 533 2HB LEU 72 2HB LEU 72 -1.228 -12.016 -2.429 534 HG LEU 72 HG LEU 72 -1.743 -9.266 -3.596 535 1HD1 LEU 72 1HD1 LEU 72 -1.795 -10.092 -0.908 536 2HD1 LEU 72 2HD1 LEU 72 -0.224 -9.287 -1.144 537 3HD1 LEU 72 3HD1 LEU 72 -1.733 -8.429 -1.541 538 1HD2 LEU 72 1HD2 LEU 72 0.856 -10.680 -2.936 539 2HD2 LEU 72 2HD2 LEU 72 0.248 -10.258 -4.555 540 3HD2 LEU 72 3HD2 LEU 72 0.699 -8.971 -3.412 541 H GLY 73 H GLY 73 -0.582 -13.922 -3.470 542 1HA GLY 73 1HA GLY 73 -2.755 -15.846 -3.780 543 2HA GLY 73 2HA GLY 73 -1.305 -16.136 -4.719 544 H THR 74 H THR 74 0.856 -15.781 -3.309 545 HA THR 74 HA THR 74 0.956 -17.822 -1.461 546 HB THR 74 HB THR 74 2.750 -15.345 -1.559 547 HG1 THR 74 HG1 THR 74 2.853 -16.055 -3.667 548 1HG2 THR 74 1HG2 THR 74 3.325 -18.318 -1.086 549 2HG2 THR 74 2HG2 THR 74 4.536 -17.014 -1.114 550 3HG2 THR 74 3HG2 THR 74 3.319 -17.072 0.184 551 HA PRO 75 HA PRO 75 -0.836 -16.143 2.078 552 1HB PRO 75 1HB PRO 75 -0.190 -18.123 3.848 553 2HB PRO 75 2HB PRO 75 -1.563 -18.217 2.763 554 1HG PRO 75 1HG PRO 75 1.039 -19.608 2.584 555 2HG PRO 75 2HG PRO 75 -0.470 -19.995 1.781 556 1HD PRO 75 1HD PRO 75 1.817 -18.719 0.613 557 2HD PRO 75 2HD PRO 75 0.268 -19.000 -0.156 558 H GLY 76 H GLY 76 -0.422 -14.868 3.874 559 1HA GLY 76 1HA GLY 76 1.589 -14.797 5.558 560 2HA GLY 76 2HA GLY 76 2.431 -14.260 4.118 561 H THR 77 H THR 77 2.545 -12.392 5.951 562 HA THR 77 HA THR 77 0.304 -10.559 5.392 563 HB THR 77 HB THR 77 2.135 -10.882 7.825 564 HG1 THR 77 HG1 THR 77 -0.210 -11.124 8.652 565 1HG2 THR 77 1HG2 THR 77 1.092 -8.454 6.970 566 2HG2 THR 77 2HG2 THR 77 -0.248 -9.098 7.946 567 3HG2 THR 77 3HG2 THR 77 1.361 -8.881 8.676 568 H TYR 78 H TYR 78 0.764 -9.038 3.944 569 HA TYR 78 HA TYR 78 3.551 -8.397 3.458 570 1HB TYR 78 1HB TYR 78 0.809 -7.649 2.274 571 2HB TYR 78 2HB TYR 78 2.301 -6.988 1.635 572 HD1 TYR 78 HD1 TYR 78 0.963 -10.383 2.552 573 HD2 TYR 78 HD2 TYR 78 3.102 -7.998 -0.284 574 HE1 TYR 78 HE1 TYR 78 1.214 -12.405 1.030 575 HE2 TYR 78 HE2 TYR 78 3.346 -10.027 -1.796 576 HH TYR 78 HH TYR 78 1.601 -12.941 -1.197 577 H SER 79 H SER 79 4.556 -6.469 3.951 578 HA SER 79 HA SER 79 2.845 -4.500 5.257 579 1HB SER 79 1HB SER 79 5.698 -4.468 6.039 580 2HB SER 79 2HB SER 79 4.265 -4.348 7.040 581 HG SER 79 HG SER 79 4.788 -6.878 5.847 582 H PHE 80 H PHE 80 3.119 -2.338 4.607 583 HA PHE 80 HA PHE 80 5.351 -1.803 2.796 584 1HB PHE 80 1HB PHE 80 3.391 -0.361 1.624 585 2HB PHE 80 2HB PHE 80 3.605 -2.051 1.213 586 HD1 PHE 80 HD1 PHE 80 2.277 -3.712 2.847 587 HD2 PHE 80 HD2 PHE 80 1.259 0.344 2.130 588 HE1 PHE 80 HE1 PHE 80 -0.087 -4.181 3.550 589 HE2 PHE 80 HE2 PHE 80 -1.104 -0.125 2.833 590 HZ PHE 80 HZ PHE 80 -1.749 -2.382 3.534 591 H TYR 81 H TYR 81 5.372 0.713 2.304 592 HA TYR 81 HA TYR 81 4.298 2.316 4.439 593 1HB TYR 81 1HB TYR 81 6.603 2.997 5.180 594 2HB TYR 81 2HB TYR 81 6.400 1.269 5.389 595 HD1 TYR 81 HD1 TYR 81 7.643 3.727 2.840 596 HD2 TYR 81 HD2 TYR 81 8.052 -0.159 4.583 597 HE1 TYR 81 HE1 TYR 81 9.718 3.306 1.431 598 HE2 TYR 81 HE2 TYR 81 10.125 -0.566 3.169 599 HH TYR 81 HH TYR 81 11.585 1.995 1.331 600 H CYS 82 H CYS 82 4.788 4.661 4.104 601 HA CYS 82 HA CYS 82 4.763 5.198 1.289 602 1HB CYS 82 1HB CYS 82 3.498 6.323 3.407 603 2HB CYS 82 2HB CYS 82 4.833 7.442 3.217 604 H THR 83 H THR 83 6.395 6.342 0.133 605 HA THR 83 HA THR 83 9.022 6.166 1.301 606 HB THR 83 HB THR 83 7.759 6.289 -1.341 607 HG1 THR 83 HG1 THR 83 9.367 4.778 -0.172 608 1HG2 THR 83 1HG2 THR 83 10.107 8.143 -0.731 609 2HG2 THR 83 2HG2 THR 83 9.883 7.414 -2.339 610 3HG2 THR 83 3HG2 THR 83 8.644 8.508 -1.678 611 HA PRO 84 HA PRO 84 8.554 10.842 0.972 612 1HB PRO 84 1HB PRO 84 6.082 11.941 0.588 613 2HB PRO 84 2HB PRO 84 7.220 11.663 -0.715 614 1HG PRO 84 1HG PRO 84 4.775 10.146 -0.034 615 2HG PRO 84 2HG PRO 84 5.675 10.161 -1.539 616 1HD PRO 84 1HD PRO 84 5.713 8.107 0.464 617 2HD PRO 84 2HD PRO 84 6.698 8.178 -0.984 618 H HIS 85 H HIS 85 5.600 9.477 2.325 619 HA HIS 85 HA HIS 85 5.943 11.176 4.634 620 1HB HIS 85 1HB HIS 85 3.825 9.129 3.921 621 2HB HIS 85 2HB HIS 85 3.805 10.121 5.365 622 HD2 HIS 85 HD2 HIS 85 3.551 12.998 4.790 623 HE1 HIS 85 HE1 HIS 85 1.789 12.298 0.980 624 HE2 HIS 85 HE2 HIS 85 2.214 14.012 2.871 625 H ARG 86 H ARG 86 7.734 8.747 3.697 626 HA ARG 86 HA ARG 86 7.496 6.639 5.307 627 1HB ARG 86 1HB ARG 86 9.341 7.249 3.565 628 2HB ARG 86 2HB ARG 86 10.191 8.008 4.896 629 1HG ARG 86 1HG ARG 86 10.843 6.003 5.775 630 2HG ARG 86 2HG ARG 86 9.245 5.306 5.598 631 1HD ARG 86 1HD ARG 86 9.666 4.526 3.415 632 2HD ARG 86 2HD ARG 86 10.891 5.740 3.101 633 HE ARG 86 HE ARG 86 11.581 3.824 5.233 634 1HH1 ARG 86 1HH1 ARG 86 11.794 4.595 1.806 635 2HH1 ARG 86 2HH1 ARG 86 13.165 3.574 1.530 636 1HH2 ARG 86 1HH2 ARG 86 13.391 2.476 4.870 637 2HH2 ARG 86 2HH2 ARG 86 14.079 2.360 3.286 638 H GLY 87 H GLY 87 8.267 9.950 6.224 639 1HA GLY 87 1HA GLY 87 9.195 9.138 8.887 640 2HA GLY 87 2HA GLY 87 9.276 10.740 8.179 641 H ALA 88 H ALA 88 6.413 10.504 7.132 642 HA ALA 88 HA ALA 88 5.157 11.725 9.316 643 1HB ALA 88 1HB ALA 88 4.738 11.458 6.582 644 2HB ALA 88 2HB ALA 88 3.378 10.553 7.290 645 3HB ALA 88 3HB ALA 88 3.638 12.258 7.731 646 H GLY 89 H GLY 89 5.611 8.372 8.377 647 1HA GLY 89 1HA GLY 89 5.260 6.582 9.797 648 2HA GLY 89 2HA GLY 89 4.152 7.536 10.763 649 H MET 90 H MET 90 4.337 6.675 7.228 650 HA MET 90 HA MET 90 1.543 5.876 7.472 651 1HB MET 90 1HB MET 90 3.213 7.154 5.284 652 2HB MET 90 2HB MET 90 1.855 6.159 4.798 653 1HG MET 90 1HG MET 90 0.525 7.609 6.605 654 2HG MET 90 2HG MET 90 1.837 8.746 6.369 655 1HE MET 90 1HE MET 90 -0.367 6.290 4.603 656 2HE MET 90 2HE MET 90 -0.976 7.119 3.149 657 3HE MET 90 3HE MET 90 0.669 6.440 3.164 658 H VAL 91 H VAL 91 1.467 3.674 7.771 659 HA VAL 91 HA VAL 91 2.822 2.060 5.758 660 HB VAL 91 HB VAL 91 3.318 0.456 7.753 661 1HG1 VAL 91 1HG1 VAL 91 4.821 2.450 6.361 662 2HG1 VAL 91 2HG1 VAL 91 5.382 2.408 8.050 663 3HG1 VAL 91 3HG1 VAL 91 5.389 0.920 7.072 664 1HG2 VAL 91 1HG2 VAL 91 2.193 2.478 9.225 665 2HG2 VAL 91 2HG2 VAL 91 3.297 1.238 9.865 666 3HG2 VAL 91 3HG2 VAL 91 3.929 2.832 9.389 667 H GLY 92 H GLY 92 1.843 -0.103 5.536 668 1HA GLY 92 1HA GLY 92 -0.778 -0.381 6.839 669 2HA GLY 92 2HA GLY 92 -0.695 -0.343 5.089 670 H THR 93 H THR 93 -1.742 -2.609 6.214 671 HA THR 93 HA THR 93 0.387 -4.560 5.692 672 HB THR 93 HB THR 93 -1.619 -5.264 7.794 673 HG1 THR 93 HG1 THR 93 0.625 -3.427 8.214 674 1HG2 THR 93 1HG2 THR 93 1.351 -5.577 7.278 675 2HG2 THR 93 2HG2 THR 93 0.751 -5.699 8.949 676 3HG2 THR 93 3HG2 THR 93 0.153 -6.822 7.705 677 H ILE 94 H ILE 94 -0.319 -6.564 4.800 678 HA ILE 94 HA ILE 94 -3.121 -6.763 4.119 679 HB ILE 94 HB ILE 94 -0.969 -6.358 2.047 680 1HG1 ILE 94 1HG1 ILE 94 -3.583 -4.910 2.563 681 2HG1 ILE 94 2HG1 ILE 94 -1.988 -4.316 2.985 682 1HG2 ILE 94 1HG2 ILE 94 -3.154 -8.153 1.909 683 2HG2 ILE 94 2HG2 ILE 94 -3.562 -6.750 0.893 684 3HG2 ILE 94 3HG2 ILE 94 -2.052 -7.647 0.606 685 1HD1 ILE 94 1HD1 ILE 94 -2.555 -5.154 0.131 686 2HD1 ILE 94 2HD1 ILE 94 -3.087 -3.558 0.714 687 3HD1 ILE 94 3HD1 ILE 94 -1.359 -3.984 0.739 688 H THR 95 H THR 95 -3.570 -8.783 4.807 689 HA THR 95 HA THR 95 -1.466 -10.809 4.517 690 HB THR 95 HB THR 95 -2.503 -10.277 6.791 691 HG1 THR 95 HG1 THR 95 -3.188 -12.883 5.639 692 1HG2 THR 95 1HG2 THR 95 -4.951 -11.064 5.234 693 2HG2 THR 95 2HG2 THR 95 -4.781 -11.780 6.856 694 3HG2 THR 95 3HG2 THR 95 -4.812 -10.010 6.662 695 H VAL 96 H VAL 96 -2.021 -12.963 3.759 696 HA VAL 96 HA VAL 96 -4.380 -12.946 2.017 697 HB VAL 96 HB VAL 96 -1.511 -13.516 1.353 698 1HG1 VAL 96 1HG1 VAL 96 -3.903 -14.980 0.351 699 2HG1 VAL 96 2HG1 VAL 96 -2.713 -14.454 -0.864 700 3HG1 VAL 96 3HG1 VAL 96 -2.206 -15.501 0.483 701 1HG2 VAL 96 1HG2 VAL 96 -2.820 -11.316 0.878 702 2HG2 VAL 96 2HG2 VAL 96 -1.823 -12.028 -0.415 703 3HG2 VAL 96 3HG2 VAL 96 -3.589 -12.250 -0.426 704 H GLU 97 H GLU 97 -5.239 -14.048 4.024 705 HA GLU 97 HA GLU 97 -4.112 -16.599 4.596 706 1HB GLU 97 1HB GLU 97 -6.129 -14.803 5.756 707 2HB GLU 97 2HB GLU 97 -6.649 -16.476 5.797 708 1HG GLU 97 1HG GLU 97 -3.810 -16.134 6.566 709 2HG GLU 97 2HG GLU 97 -4.912 -15.267 7.620 Start of MODEL 12 1 H ALA 1 H ALA 1 -11.968 -12.056 -3.719 2 HA ALA 1 HA ALA 1 -13.663 -10.457 -2.907 3 1HB ALA 1 1HB ALA 1 -12.436 -11.446 -0.373 4 2HB ALA 1 2HB ALA 1 -12.833 -9.712 -0.440 5 3HB ALA 1 3HB ALA 1 -14.105 -10.926 -0.710 6 H SER 2 H SER 2 -13.078 -8.500 -3.725 7 HA SER 2 HA SER 2 -10.226 -7.978 -3.791 8 1HB SER 2 1HB SER 2 -12.534 -6.793 -5.395 9 2HB SER 2 2HB SER 2 -10.862 -6.301 -5.575 10 HG SER 2 HG SER 2 -10.688 -8.897 -5.808 11 H VAL 3 H VAL 3 -9.375 -6.455 -2.420 12 HA VAL 3 HA VAL 3 -11.267 -4.536 -1.253 13 HB VAL 3 HB VAL 3 -9.213 -4.441 0.434 14 1HG1 VAL 3 1HG1 VAL 3 -11.746 -5.859 0.314 15 2HG1 VAL 3 2HG1 VAL 3 -10.570 -6.724 1.332 16 3HG1 VAL 3 3HG1 VAL 3 -10.970 -5.025 1.683 17 1HG2 VAL 3 1HG2 VAL 3 -7.875 -6.069 -0.892 18 2HG2 VAL 3 2HG2 VAL 3 -8.179 -6.604 0.778 19 3HG2 VAL 3 3HG2 VAL 3 -9.112 -7.306 -0.565 20 H GLN 4 H GLN 4 -9.838 -2.501 -0.401 21 HA GLN 4 HA GLN 4 -7.948 -1.816 -2.483 22 1HB GLN 4 1HB GLN 4 -9.088 0.492 -2.619 23 2HB GLN 4 2HB GLN 4 -9.895 -0.838 -3.424 24 1HG GLN 4 1HG GLN 4 -11.194 -1.140 -1.159 25 2HG GLN 4 2HG GLN 4 -10.618 0.471 -0.779 26 1HE2 GLN 4 2HE2 GLN 4 -12.928 0.923 -0.737 27 2HE2 GLN 4 1HE2 GLN 4 -13.749 1.356 -2.200 28 H ILE 5 H ILE 5 -6.685 0.225 -1.895 29 HA ILE 5 HA ILE 5 -6.605 0.537 1.025 30 HB ILE 5 HB ILE 5 -4.422 -0.022 -0.936 31 1HG1 ILE 5 1HG1 ILE 5 -5.267 -1.868 0.381 32 2HG1 ILE 5 2HG1 ILE 5 -3.633 -1.479 0.882 33 1HG2 ILE 5 1HG2 ILE 5 -4.298 1.955 1.260 34 2HG2 ILE 5 2HG2 ILE 5 -2.983 0.757 1.220 35 3HG2 ILE 5 3HG2 ILE 5 -3.295 1.783 -0.200 36 1HD1 ILE 5 1HD1 ILE 5 -5.277 0.152 2.507 37 2HD1 ILE 5 2HD1 ILE 5 -6.098 -1.426 2.445 38 3HD1 ILE 5 3HD1 ILE 5 -4.411 -1.322 3.004 39 H LYS 6 H LYS 6 -7.092 2.568 1.638 40 HA LYS 6 HA LYS 6 -6.900 4.653 -0.390 41 1HB LYS 6 1HB LYS 6 -8.638 4.094 1.914 42 2HB LYS 6 2HB LYS 6 -8.109 5.762 1.832 43 1HG LYS 6 1HG LYS 6 -8.901 5.937 -0.508 44 2HG LYS 6 2HG LYS 6 -9.336 4.240 -0.517 45 1HD LYS 6 1HD LYS 6 -10.514 6.124 1.556 46 2HD LYS 6 2HD LYS 6 -11.207 6.025 -0.050 47 1HE LYS 6 1HE LYS 6 -10.843 3.324 0.777 48 2HE LYS 6 2HE LYS 6 -11.471 4.158 2.185 49 1HZ LYS 6 1HZ LYS 6 -12.674 4.353 -0.488 50 2HZ LYS 6 2HZ LYS 6 -13.184 3.320 0.669 51 3HZ LYS 6 3HZ LYS 6 -13.296 4.932 0.907 52 H MET 7 H MET 7 -5.369 6.230 -0.343 53 HA MET 7 HA MET 7 -3.596 6.157 1.964 54 1HB MET 7 1HB MET 7 -3.263 7.080 -0.937 55 2HB MET 7 2HB MET 7 -2.060 7.439 0.285 56 1HG MET 7 1HG MET 7 -1.155 5.428 -0.364 57 2HG MET 7 2HG MET 7 -2.357 4.748 0.714 58 1HE MET 7 1HE MET 7 -1.909 6.251 -2.789 59 2HE MET 7 2HE MET 7 -1.038 4.704 -2.905 60 3HE MET 7 3HE MET 7 -2.516 4.967 -3.861 61 H GLY 8 H GLY 8 -4.398 7.623 3.458 62 1HA GLY 8 1HA GLY 8 -4.170 9.920 4.093 63 2HA GLY 8 2HA GLY 8 -4.706 10.398 2.494 64 H THR 9 H THR 9 -5.764 10.816 5.397 65 HA THR 9 HA THR 9 -8.445 9.682 5.035 66 HB THR 9 HB THR 9 -8.600 10.507 7.499 67 HG1 THR 9 HG1 THR 9 -6.801 11.906 7.576 68 1HG2 THR 9 1HG2 THR 9 -6.693 8.360 6.513 69 2HG2 THR 9 2HG2 THR 9 -6.753 8.744 8.249 70 3HG2 THR 9 3HG2 THR 9 -8.217 8.171 7.414 71 H ASP 10 H ASP 10 -10.329 11.075 5.518 72 HA ASP 10 HA ASP 10 -10.342 13.240 3.867 73 1HB ASP 10 1HB ASP 10 -12.461 12.384 4.413 74 2HB ASP 10 2HB ASP 10 -12.091 12.267 6.122 75 H LYS 11 H LYS 11 -9.082 12.873 7.096 76 HA LYS 11 HA LYS 11 -9.307 15.697 7.721 77 1HB LYS 11 1HB LYS 11 -9.432 13.462 9.276 78 2HB LYS 11 2HB LYS 11 -7.748 13.898 9.482 79 1HG LYS 11 1HG LYS 11 -8.906 16.373 9.733 80 2HG LYS 11 2HG LYS 11 -10.210 15.370 10.336 81 1HD LYS 11 1HD LYS 11 -8.826 14.424 12.070 82 2HD LYS 11 2HD LYS 11 -7.354 15.022 11.331 83 1HE LYS 11 1HE LYS 11 -7.546 17.048 12.356 84 2HE LYS 11 2HE LYS 11 -9.218 17.225 11.862 85 1HZ LYS 11 1HZ LYS 11 -9.430 15.360 13.724 86 2HZ LYS 11 2HZ LYS 11 -8.153 16.188 14.314 87 3HZ LYS 11 3HZ LYS 11 -9.566 16.958 14.034 88 H TYR 12 H TYR 12 -7.889 15.150 5.320 89 HA TYR 12 HA TYR 12 -5.875 15.302 4.339 90 1HB TYR 12 1HB TYR 12 -5.648 17.388 6.598 91 2HB TYR 12 2HB TYR 12 -4.787 17.467 5.074 92 HD1 TYR 12 HD1 TYR 12 -5.953 18.081 2.995 93 HD2 TYR 12 HD2 TYR 12 -8.010 17.975 6.744 94 HE1 TYR 12 HE1 TYR 12 -7.871 19.414 1.989 95 HE2 TYR 12 HE2 TYR 12 -9.921 19.308 5.726 96 HH TYR 12 HH TYR 12 -9.943 21.072 3.585 97 H ALA 13 H ALA 13 -5.930 13.370 6.632 98 HA ALA 13 HA ALA 13 -3.219 13.698 7.675 99 1HB ALA 13 1HB ALA 13 -5.629 12.913 8.837 100 2HB ALA 13 2HB ALA 13 -4.767 11.377 8.583 101 3HB ALA 13 3HB ALA 13 -4.005 12.679 9.528 102 HA PRO 14 HA PRO 14 -2.011 10.818 4.616 103 1HB PRO 14 1HB PRO 14 0.677 10.909 5.100 104 2HB PRO 14 2HB PRO 14 -0.148 12.050 4.057 105 1HG PRO 14 1HG PRO 14 0.875 12.453 6.801 106 2HG PRO 14 2HG PRO 14 0.443 13.657 5.603 107 1HD PRO 14 1HD PRO 14 -1.103 12.882 7.891 108 2HD PRO 14 2HD PRO 14 -1.584 14.000 6.631 109 H LEU 15 H LEU 15 -2.976 8.919 5.214 110 HA LEU 15 HA LEU 15 -1.167 7.133 6.533 111 1HB LEU 15 1HB LEU 15 -2.711 6.519 8.336 112 2HB LEU 15 2HB LEU 15 -2.060 8.137 8.497 113 HG LEU 15 HG LEU 15 -4.431 8.589 7.150 114 1HD1 LEU 15 1HD1 LEU 15 -4.637 6.019 8.501 115 2HD1 LEU 15 2HD1 LEU 15 -5.827 7.194 9.108 116 3HD1 LEU 15 3HD1 LEU 15 -5.756 6.815 7.370 117 1HD2 LEU 15 1HD2 LEU 15 -3.484 9.895 9.009 118 2HD2 LEU 15 2HD2 LEU 15 -5.214 9.542 9.243 119 3HD2 LEU 15 3HD2 LEU 15 -3.988 8.623 10.149 120 H TYR 16 H TYR 16 -1.802 4.901 6.246 121 HA TYR 16 HA TYR 16 -3.404 4.574 3.886 122 1HB TYR 16 1HB TYR 16 -1.688 2.940 5.811 123 2HB TYR 16 2HB TYR 16 -2.740 2.068 4.714 124 HD1 TYR 16 HD1 TYR 16 -2.578 3.303 2.173 125 HD2 TYR 16 HD2 TYR 16 0.515 2.933 5.106 126 HE1 TYR 16 HE1 TYR 16 -0.817 3.483 0.349 127 HE2 TYR 16 HE2 TYR 16 2.266 3.114 3.273 128 HH TYR 16 HH TYR 16 2.603 3.678 1.160 129 H GLU 17 H GLU 17 -5.508 3.932 3.754 130 HA GLU 17 HA GLU 17 -6.659 2.830 6.194 131 1HB GLU 17 1HB GLU 17 -7.255 5.302 5.689 132 2HB GLU 17 2HB GLU 17 -8.180 4.691 4.332 133 1HG GLU 17 1HG GLU 17 -9.569 3.315 5.827 134 2HG GLU 17 2HG GLU 17 -8.571 3.734 7.206 135 HA PRO 18 HA PRO 18 -7.879 1.691 6.822 136 1HB PRO 18 1HB PRO 18 -8.000 -0.966 7.452 137 2HB PRO 18 2HB PRO 18 -9.422 0.020 7.178 138 1HG PRO 18 1HG PRO 18 -8.202 -2.005 5.404 139 2HG PRO 18 2HG PRO 18 -9.819 -1.331 5.351 140 1HD PRO 18 1HD PRO 18 -7.623 -0.665 3.629 141 2HD PRO 18 2HD PRO 18 -9.204 0.090 3.651 142 H LYS 19 H LYS 19 -6.603 0.436 8.701 143 HA LYS 19 HA LYS 19 -3.900 0.955 8.003 144 1HB LYS 19 1HB LYS 19 -5.424 0.840 10.347 145 2HB LYS 19 2HB LYS 19 -4.294 -0.490 10.502 146 1HG LYS 19 1HG LYS 19 -2.678 1.545 9.483 147 2HG LYS 19 2HG LYS 19 -3.780 2.429 10.519 148 1HD LYS 19 1HD LYS 19 -3.262 0.733 12.366 149 2HD LYS 19 2HD LYS 19 -2.018 0.071 11.324 150 1HE LYS 19 1HE LYS 19 -0.697 1.602 12.436 151 2HE LYS 19 2HE LYS 19 -1.289 2.678 11.186 152 1HZ LYS 19 1HZ LYS 19 -3.010 2.432 13.463 153 2HZ LYS 19 2HZ LYS 19 -1.564 3.121 13.781 154 3HZ LYS 19 3HZ LYS 19 -2.545 3.768 12.647 155 H ALA 20 H ALA 20 -5.968 -1.945 8.340 156 HA ALA 20 HA ALA 20 -3.870 -3.460 7.009 157 1HB ALA 20 1HB ALA 20 -3.828 -3.628 9.648 158 2HB ALA 20 2HB ALA 20 -5.226 -4.701 9.396 159 3HB ALA 20 3HB ALA 20 -3.658 -5.093 8.651 160 H LEU 21 H LEU 21 -4.755 -5.557 6.140 161 HA LEU 21 HA LEU 21 -7.610 -5.823 6.112 162 1HB LEU 21 1HB LEU 21 -8.066 -5.308 3.911 163 2HB LEU 21 2HB LEU 21 -7.053 -3.984 4.450 164 HG LEU 21 HG LEU 21 -5.899 -6.343 2.961 165 1HD1 LEU 21 1HD1 LEU 21 -7.878 -4.932 1.829 166 2HD1 LEU 21 2HD1 LEU 21 -6.510 -3.859 1.450 167 3HD1 LEU 21 3HD1 LEU 21 -6.482 -5.558 0.919 168 1HD2 LEU 21 1HD2 LEU 21 -4.904 -3.777 3.981 169 2HD2 LEU 21 2HD2 LEU 21 -4.029 -5.266 3.550 170 3HD2 LEU 21 3HD2 LEU 21 -4.474 -4.097 2.284 171 H SER 22 H SER 22 -8.275 -7.866 5.153 172 HA SER 22 HA SER 22 -5.986 -9.637 4.775 173 1HB SER 22 1HB SER 22 -7.069 -10.099 6.932 174 2HB SER 22 2HB SER 22 -8.641 -10.208 6.164 175 HG SER 22 HG SER 22 -6.393 -11.967 5.653 176 H ILE 23 H ILE 23 -6.266 -11.355 3.187 177 HA ILE 23 HA ILE 23 -8.721 -11.302 1.646 178 HB ILE 23 HB ILE 23 -7.739 -10.797 -0.418 179 1HG1 ILE 23 1HG1 ILE 23 -4.985 -10.601 0.810 180 2HG1 ILE 23 2HG1 ILE 23 -5.594 -12.097 0.132 181 1HG2 ILE 23 1HG2 ILE 23 -8.212 -8.875 1.129 182 2HG2 ILE 23 2HG2 ILE 23 -6.471 -8.828 1.497 183 3HG2 ILE 23 3HG2 ILE 23 -7.037 -8.535 -0.165 184 1HD1 ILE 23 1HD1 ILE 23 -6.029 -9.764 -1.639 185 2HD1 ILE 23 2HD1 ILE 23 -4.313 -10.104 -1.307 186 3HD1 ILE 23 3HD1 ILE 23 -5.349 -11.365 -2.015 187 H SER 24 H SER 24 -8.486 -13.079 -0.187 188 HA SER 24 HA SER 24 -7.193 -15.324 1.142 189 1HB SER 24 1HB SER 24 -9.264 -15.726 -1.003 190 2HB SER 24 2HB SER 24 -8.921 -16.711 0.407 191 HG SER 24 HG SER 24 -10.952 -15.477 0.537 192 H ALA 25 H ALA 25 -6.012 -16.885 -0.184 193 HA ALA 25 HA ALA 25 -4.332 -15.811 -2.044 194 1HB ALA 25 1HB ALA 25 -5.282 -18.619 -1.446 195 2HB ALA 25 2HB ALA 25 -4.112 -18.314 -2.752 196 3HB ALA 25 3HB ALA 25 -3.714 -17.861 -1.078 197 H GLY 26 H GLY 26 -4.964 -14.695 -3.839 198 1HA GLY 26 1HA GLY 26 -5.531 -15.218 -6.181 199 2HA GLY 26 2HA GLY 26 -6.977 -16.000 -5.574 200 H ASP 27 H ASP 27 -6.679 -13.582 -3.393 201 HA ASP 27 HA ASP 27 -8.663 -12.041 -4.688 202 1HB ASP 27 1HB ASP 27 -7.249 -12.030 -2.031 203 2HB ASP 27 2HB ASP 27 -8.026 -10.537 -2.520 204 H THR 28 H THR 28 -8.266 -9.410 -4.302 205 HA THR 28 HA THR 28 -5.554 -8.779 -5.246 206 HB THR 28 HB THR 28 -8.153 -7.628 -6.383 207 HG1 THR 28 HG1 THR 28 -6.233 -9.558 -7.466 208 1HG2 THR 28 1HG2 THR 28 -6.029 -6.265 -6.697 209 2HG2 THR 28 2HG2 THR 28 -5.291 -7.688 -7.472 210 3HG2 THR 28 3HG2 THR 28 -6.695 -6.892 -8.223 211 H VAL 29 H VAL 29 -4.893 -6.542 -4.876 212 HA VAL 29 HA VAL 29 -6.459 -5.293 -2.732 213 HB VAL 29 HB VAL 29 -3.466 -5.710 -2.850 214 1HG1 VAL 29 1HG1 VAL 29 -4.182 -3.467 -1.957 215 2HG1 VAL 29 2HG1 VAL 29 -5.058 -4.329 -0.670 216 3HG1 VAL 29 3HG1 VAL 29 -3.289 -4.481 -0.799 217 1HG2 VAL 29 1HG2 VAL 29 -5.643 -6.865 -1.089 218 2HG2 VAL 29 2HG2 VAL 29 -4.485 -7.732 -2.127 219 3HG2 VAL 29 3HG2 VAL 29 -3.918 -6.909 -0.653 220 H GLU 30 H GLU 30 -7.247 -3.441 -3.596 221 HA GLU 30 HA GLU 30 -5.731 -2.168 -5.675 222 1HB GLU 30 1HB GLU 30 -8.386 -2.511 -5.388 223 2HB GLU 30 2HB GLU 30 -8.256 -0.972 -4.560 224 1HG GLU 30 1HG GLU 30 -6.683 -0.598 -6.856 225 2HG GLU 30 2HG GLU 30 -8.015 -1.575 -7.441 226 H PHE 31 H PHE 31 -5.601 0.364 -5.561 227 HA PHE 31 HA PHE 31 -5.242 1.313 -2.844 228 1HB PHE 31 1HB PHE 31 -3.123 1.018 -5.040 229 2HB PHE 31 2HB PHE 31 -2.924 2.212 -3.773 230 HD1 PHE 31 HD1 PHE 31 -3.403 -1.432 -4.319 231 HD2 PHE 31 HD2 PHE 31 -1.992 1.608 -1.716 232 HE1 PHE 31 HE1 PHE 31 -2.384 -3.178 -2.831 233 HE2 PHE 31 HE2 PHE 31 -0.973 -0.139 -0.229 234 HZ PHE 31 HZ PHE 31 -1.181 -2.511 -0.804 235 H VAL 32 H VAL 32 -6.170 3.298 -2.719 236 HA VAL 32 HA VAL 32 -6.138 4.924 -5.167 237 HB VAL 32 HB VAL 32 -8.347 3.888 -4.605 238 1HG1 VAL 32 1HG1 VAL 32 -7.810 5.292 -2.042 239 2HG1 VAL 32 2HG1 VAL 32 -9.471 5.403 -2.673 240 3HG1 VAL 32 3HG1 VAL 32 -8.738 3.810 -2.370 241 1HG2 VAL 32 1HG2 VAL 32 -7.953 6.875 -4.727 242 2HG2 VAL 32 2HG2 VAL 32 -8.479 5.755 -6.006 243 3HG2 VAL 32 3HG2 VAL 32 -9.583 6.165 -4.671 244 H MET 33 H MET 33 -5.998 7.245 -4.829 245 HA MET 33 HA MET 33 -4.619 7.797 -2.335 246 1HB MET 33 1HB MET 33 -3.814 8.288 -4.867 247 2HB MET 33 2HB MET 33 -4.788 9.731 -4.671 248 1HG MET 33 1HG MET 33 -3.350 9.711 -2.294 249 2HG MET 33 2HG MET 33 -2.187 9.024 -3.410 250 1HE MET 33 1HE MET 33 -3.531 12.033 -1.893 251 2HE MET 33 2HE MET 33 -3.618 13.305 -3.136 252 3HE MET 33 3HE MET 33 -4.835 12.006 -3.106 253 H ASN 34 H ASN 34 -5.573 9.014 -0.755 254 HA ASN 34 HA ASN 34 -8.162 10.070 -1.307 255 1HB ASN 34 1HB ASN 34 -6.499 9.449 1.074 256 2HB ASN 34 2HB ASN 34 -7.429 10.921 1.270 257 1HD2 ASN 34 2HD2 ASN 34 -9.133 10.474 2.440 258 2HD2 ASN 34 1HD2 ASN 34 -10.244 9.164 2.216 259 H LYS 35 H LYS 35 -5.132 11.393 0.254 260 HA LYS 35 HA LYS 35 -5.008 13.650 -1.406 261 1HB LYS 35 1HB LYS 35 -5.652 15.386 0.250 262 2HB LYS 35 2HB LYS 35 -7.002 14.430 -0.327 263 1HG LYS 35 1HG LYS 35 -5.741 13.229 2.054 264 2HG LYS 35 2HG LYS 35 -6.300 14.862 2.362 265 1HD LYS 35 1HD LYS 35 -8.159 13.013 0.875 266 2HD LYS 35 2HD LYS 35 -7.933 12.728 2.589 267 1HE LYS 35 1HE LYS 35 -8.874 14.795 3.207 268 2HE LYS 35 2HE LYS 35 -8.474 15.556 1.680 269 1HZ LYS 35 1HZ LYS 35 -10.463 13.411 1.930 270 2HZ LYS 35 2HZ LYS 35 -10.839 15.001 1.964 271 3HZ LYS 35 3HZ LYS 35 -10.183 14.345 0.620 272 H VAL 36 H VAL 36 -3.745 15.452 0.401 273 HA VAL 36 HA VAL 36 -1.667 15.811 1.102 274 HB VAL 36 HB VAL 36 -2.802 15.052 3.131 275 1HG1 VAL 36 1HG1 VAL 36 -1.800 12.324 2.277 276 2HG1 VAL 36 2HG1 VAL 36 -2.284 12.699 3.948 277 3HG1 VAL 36 3HG1 VAL 36 -3.470 12.829 2.627 278 1HG2 VAL 36 1HG2 VAL 36 -0.378 15.745 3.113 279 2HG2 VAL 36 2HG2 VAL 36 -0.851 14.698 4.472 280 3HG2 VAL 36 3HG2 VAL 36 0.048 14.017 3.095 281 H GLY 37 H GLY 37 -1.551 14.666 -1.362 282 1HA GLY 37 1HA GLY 37 0.434 12.494 -1.136 283 2HA GLY 37 2HA GLY 37 -0.564 12.841 -2.533 284 HA PRO 38 HA PRO 38 0.503 12.222 -3.877 285 1HB PRO 38 1HB PRO 38 2.619 11.351 -5.370 286 2HB PRO 38 2HB PRO 38 1.402 12.453 -5.983 287 1HG PRO 38 1HG PRO 38 4.177 13.035 -5.146 288 2HG PRO 38 2HG PRO 38 3.105 14.001 -6.139 289 1HD PRO 38 1HD PRO 38 3.760 14.448 -3.382 290 2HD PRO 38 2HD PRO 38 2.600 15.345 -4.343 291 H HIS 39 H HIS 39 1.427 9.795 -4.178 292 HA HIS 39 HA HIS 39 3.062 9.285 -1.827 293 1HB HIS 39 1HB HIS 39 0.476 7.793 -2.318 294 2HB HIS 39 2HB HIS 39 1.561 7.628 -0.952 295 HD2 HIS 39 HD2 HIS 39 -1.044 10.267 -2.340 296 HE1 HIS 39 HE1 HIS 39 -0.325 11.083 1.774 297 HE2 HIS 39 HE2 HIS 39 -1.676 11.714 -0.340 298 H ASN 40 H ASN 40 2.370 6.340 -2.151 299 HA ASN 40 HA ASN 40 2.737 5.407 -4.640 300 1HB ASN 40 1HB ASN 40 5.366 4.857 -4.317 301 2HB ASN 40 2HB ASN 40 4.829 6.302 -5.151 302 1HD2 ASN 40 2HD2 ASN 40 6.954 7.077 -4.526 303 2HD2 ASN 40 1HD2 ASN 40 7.186 7.818 -2.978 304 H VAL 41 H VAL 41 3.540 3.044 -4.573 305 HA VAL 41 HA VAL 41 3.108 1.984 -1.883 306 HB VAL 41 HB VAL 41 3.044 0.547 -4.539 307 1HG1 VAL 41 1HG1 VAL 41 2.671 -0.241 -1.733 308 2HG1 VAL 41 2HG1 VAL 41 1.337 -0.742 -2.799 309 3HG1 VAL 41 3HG1 VAL 41 3.007 -1.235 -3.171 310 1HG2 VAL 41 1HG2 VAL 41 1.031 2.291 -3.227 311 2HG2 VAL 41 2HG2 VAL 41 1.247 1.871 -4.943 312 3HG2 VAL 41 3HG2 VAL 41 0.433 0.731 -3.844 313 H ILE 42 H ILE 42 5.073 1.981 -0.837 314 HA ILE 42 HA ILE 42 7.288 0.737 -2.312 315 HB ILE 42 HB ILE 42 7.646 2.448 0.120 316 1HG1 ILE 42 1HG1 ILE 42 6.199 3.714 -1.463 317 2HG1 ILE 42 2HG1 ILE 42 7.765 4.451 -1.180 318 1HG2 ILE 42 1HG2 ILE 42 9.537 1.123 -0.716 319 2HG2 ILE 42 2HG2 ILE 42 9.386 1.914 -2.304 320 3HG2 ILE 42 3HG2 ILE 42 9.829 2.872 -0.871 321 1HD1 ILE 42 1HD1 ILE 42 7.051 2.706 -3.584 322 2HD1 ILE 42 2HD1 ILE 42 7.190 4.480 -3.592 323 3HD1 ILE 42 3HD1 ILE 42 8.630 3.475 -3.298 324 H PHE 43 H PHE 43 6.012 -1.303 -1.710 325 HA PHE 43 HA PHE 43 5.429 -2.245 0.688 326 1HB PHE 43 1HB PHE 43 6.900 -3.371 -1.726 327 2HB PHE 43 2HB PHE 43 6.735 -4.412 -0.327 328 HD1 PHE 43 HD1 PHE 43 4.449 -5.035 0.477 329 HD2 PHE 43 HD2 PHE 43 5.061 -2.956 -3.172 330 HE1 PHE 43 HE1 PHE 43 2.143 -5.678 -0.276 331 HE2 PHE 43 HE2 PHE 43 2.754 -3.600 -3.925 332 HZ PHE 43 HZ PHE 43 1.323 -4.955 -2.469 333 H ASP 44 H ASP 44 6.525 -3.544 2.355 334 HA ASP 44 HA ASP 44 9.168 -2.463 2.820 335 1HB ASP 44 1HB ASP 44 7.063 -2.569 4.492 336 2HB ASP 44 2HB ASP 44 7.684 -4.175 4.816 337 H LYS 45 H LYS 45 7.306 -5.579 3.228 338 HA LYS 45 HA LYS 45 9.019 -7.183 1.811 339 1HB LYS 45 1HB LYS 45 10.133 -6.453 4.392 340 2HB LYS 45 2HB LYS 45 9.875 -8.183 4.293 341 1HG LYS 45 1HG LYS 45 10.934 -7.739 1.808 342 2HG LYS 45 2HG LYS 45 11.712 -6.441 2.692 343 1HD LYS 45 1HD LYS 45 13.039 -7.876 3.890 344 2HD LYS 45 2HD LYS 45 11.735 -9.017 4.158 345 1HE LYS 45 1HE LYS 45 12.145 -10.179 2.157 346 2HE LYS 45 2HE LYS 45 12.850 -8.785 1.363 347 1HZ LYS 45 1HZ LYS 45 14.678 -9.030 3.068 348 2HZ LYS 45 2HZ LYS 45 14.078 -10.519 3.369 349 3HZ LYS 45 3HZ LYS 45 14.625 -10.146 1.876 350 H VAL 46 H VAL 46 8.316 -9.393 1.845 351 HA VAL 46 HA VAL 46 6.159 -9.989 3.711 352 HB VAL 46 HB VAL 46 5.099 -8.970 1.761 353 1HG1 VAL 46 1HG1 VAL 46 7.078 -9.977 0.250 354 2HG1 VAL 46 2HG1 VAL 46 5.844 -11.226 -0.037 355 3HG1 VAL 46 3HG1 VAL 46 5.491 -9.523 -0.415 356 1HG2 VAL 46 1HG2 VAL 46 4.691 -11.959 2.077 357 2HG2 VAL 46 2HG2 VAL 46 3.820 -10.645 2.903 358 3HG2 VAL 46 3HG2 VAL 46 3.596 -10.901 1.156 359 HA PRO 47 HA PRO 47 8.243 -13.782 3.611 360 1HB PRO 47 1HB PRO 47 6.455 -15.328 4.983 361 2HB PRO 47 2HB PRO 47 7.603 -14.263 5.770 362 1HG PRO 47 1HG PRO 47 4.694 -13.898 5.392 363 2HG PRO 47 2HG PRO 47 5.765 -13.085 6.514 364 1HD PRO 47 1HD PRO 47 4.709 -12.017 4.071 365 2HD PRO 47 2HD PRO 47 5.871 -11.248 5.135 366 H ALA 48 H ALA 48 7.997 -16.180 3.049 367 HA ALA 48 HA ALA 48 7.162 -17.763 1.696 368 1HB ALA 48 1HB ALA 48 4.906 -16.402 2.089 369 2HB ALA 48 2HB ALA 48 5.173 -15.925 0.395 370 3HB ALA 48 3HB ALA 48 5.023 -17.646 0.822 371 H GLY 49 H GLY 49 9.422 -16.161 1.186 372 1HA GLY 49 1HA GLY 49 10.658 -15.186 -0.482 373 2HA GLY 49 2HA GLY 49 10.306 -16.739 -1.214 374 H GLU 50 H GLU 50 8.304 -13.759 -0.605 375 HA GLU 50 HA GLU 50 7.331 -14.016 -3.309 376 1HB GLU 50 1HB GLU 50 6.235 -13.114 -0.812 377 2HB GLU 50 2HB GLU 50 6.201 -11.753 -1.916 378 1HG GLU 50 1HG GLU 50 5.356 -14.314 -3.161 379 2HG GLU 50 2HG GLU 50 4.323 -13.803 -1.840 380 H SER 51 H SER 51 6.712 -11.374 -3.985 381 HA SER 51 HA SER 51 9.383 -10.204 -4.092 382 1HB SER 51 1HB SER 51 8.979 -9.494 -6.320 383 2HB SER 51 2HB SER 51 8.347 -11.128 -6.265 384 HG SER 51 HG SER 51 7.015 -8.724 -6.708 385 H ALA 52 H ALA 52 8.634 -9.194 -1.961 386 HA ALA 52 HA ALA 52 6.497 -7.300 -2.098 387 1HB ALA 52 1HB ALA 52 8.321 -8.458 -0.102 388 2HB ALA 52 2HB ALA 52 8.002 -6.727 0.163 389 3HB ALA 52 3HB ALA 52 6.648 -7.879 0.082 390 HA PRO 53 HA PRO 53 10.210 -4.370 -2.313 391 1HB PRO 53 1HB PRO 53 12.712 -5.363 -2.785 392 2HB PRO 53 2HB PRO 53 12.114 -4.999 -1.178 393 1HG PRO 53 1HG PRO 53 12.468 -7.633 -2.472 394 2HG PRO 53 2HG PRO 53 12.285 -7.262 -0.768 395 1HD PRO 53 1HD PRO 53 10.281 -8.341 -2.514 396 2HD PRO 53 2HD PRO 53 10.068 -7.860 -0.842 397 H ALA 54 H ALA 54 9.246 -6.660 -4.390 398 HA ALA 54 HA ALA 54 10.520 -5.292 -6.655 399 1HB ALA 54 1HB ALA 54 10.279 -8.012 -6.010 400 2HB ALA 54 2HB ALA 54 9.051 -7.740 -7.269 401 3HB ALA 54 3HB ALA 54 10.754 -7.330 -7.583 402 H LEU 55 H LEU 55 7.549 -5.859 -4.890 403 HA LEU 55 HA LEU 55 5.852 -5.192 -7.110 404 1HB LEU 55 1HB LEU 55 5.508 -5.930 -4.244 405 2HB LEU 55 2HB LEU 55 4.217 -5.033 -5.019 406 HG LEU 55 HG LEU 55 5.343 -7.647 -6.060 407 1HD1 LEU 55 1HD1 LEU 55 4.199 -7.784 -3.809 408 2HD1 LEU 55 2HD1 LEU 55 2.708 -7.264 -4.629 409 3HD1 LEU 55 3HD1 LEU 55 3.500 -8.785 -5.104 410 1HD2 LEU 55 1HD2 LEU 55 2.923 -6.019 -6.878 411 2HD2 LEU 55 2HD2 LEU 55 4.386 -6.339 -7.840 412 3HD2 LEU 55 3HD2 LEU 55 3.277 -7.671 -7.438 413 H SER 56 H SER 56 7.461 -3.566 -4.381 414 HA SER 56 HA SER 56 6.001 -1.308 -4.190 415 1HB SER 56 1HB SER 56 8.492 -0.269 -3.890 416 2HB SER 56 2HB SER 56 7.708 -1.246 -2.666 417 HG SER 56 HG SER 56 9.430 -2.505 -2.863 418 H ASN 57 H ASN 57 5.420 0.296 -5.610 419 HA ASN 57 HA ASN 57 7.085 0.543 -7.990 420 1HB ASN 57 1HB ASN 57 4.169 0.408 -7.567 421 2HB ASN 57 2HB ASN 57 4.609 1.844 -8.470 422 1HD2 ASN 57 2HD2 ASN 57 5.933 1.612 -10.371 423 2HD2 ASN 57 1HD2 ASN 57 5.837 0.181 -11.343 424 H THR 58 H THR 58 8.254 2.468 -8.022 425 HA THR 58 HA THR 58 7.447 4.602 -6.215 426 HB THR 58 HB THR 58 9.809 3.759 -6.288 427 HG1 THR 58 HG1 THR 58 10.541 5.931 -6.295 428 1HG2 THR 58 1HG2 THR 58 9.421 3.889 -9.125 429 2HG2 THR 58 2HG2 THR 58 10.583 5.172 -8.712 430 3HG2 THR 58 3HG2 THR 58 10.924 3.483 -8.262 431 H LYS 59 H LYS 59 5.576 4.164 -8.282 432 HA LYS 59 HA LYS 59 6.155 6.352 -10.136 433 1HB LYS 59 1HB LYS 59 5.525 4.142 -11.077 434 2HB LYS 59 2HB LYS 59 3.987 4.234 -10.243 435 1HG LYS 59 1HG LYS 59 4.018 6.681 -11.513 436 2HG LYS 59 2HG LYS 59 4.926 5.714 -12.658 437 1HD LYS 59 1HD LYS 59 3.119 4.310 -13.137 438 2HD LYS 59 2HD LYS 59 2.396 4.515 -11.553 439 1HE LYS 59 1HE LYS 59 1.782 6.883 -12.170 440 2HE LYS 59 2HE LYS 59 2.452 6.623 -13.768 441 1HZ LYS 59 1HZ LYS 59 0.297 4.990 -12.619 442 2HZ LYS 59 2HZ LYS 59 0.053 6.252 -13.626 443 3HZ LYS 59 3HZ LYS 59 0.852 4.929 -14.154 444 H LEU 60 H LEU 60 5.930 7.806 -8.158 445 HA LEU 60 HA LEU 60 3.729 8.121 -6.647 446 1HB LEU 60 1HB LEU 60 5.026 10.519 -7.890 447 2HB LEU 60 2HB LEU 60 4.415 10.307 -6.262 448 HG LEU 60 HG LEU 60 6.414 8.415 -6.366 449 1HD1 LEU 60 1HD1 LEU 60 7.056 9.364 -8.617 450 2HD1 LEU 60 2HD1 LEU 60 7.531 10.853 -7.764 451 3HD1 LEU 60 3HD1 LEU 60 8.351 9.316 -7.395 452 1HD2 LEU 60 1HD2 LEU 60 5.880 10.037 -4.556 453 2HD2 LEU 60 2HD2 LEU 60 7.622 9.860 -4.873 454 3HD2 LEU 60 3HD2 LEU 60 6.749 11.290 -5.473 455 H ALA 61 H ALA 61 1.649 7.849 -7.303 456 HA ALA 61 HA ALA 61 0.841 8.897 -9.873 457 1HB ALA 61 1HB ALA 61 0.186 6.632 -8.746 458 2HB ALA 61 2HB ALA 61 -0.967 7.618 -7.815 459 3HB ALA 61 3HB ALA 61 -1.071 7.567 -9.592 460 H ILE 62 H ILE 62 0.752 11.131 -9.839 461 HA ILE 62 HA ILE 62 -0.233 12.515 -7.550 462 HB ILE 62 HB ILE 62 0.613 13.305 -10.323 463 1HG1 ILE 62 1HG1 ILE 62 2.299 14.616 -8.900 464 2HG1 ILE 62 2HG1 ILE 62 1.750 13.650 -7.545 465 1HG2 ILE 62 1HG2 ILE 62 -1.313 14.723 -9.601 466 2HG2 ILE 62 2HG2 ILE 62 -0.352 15.225 -8.190 467 3HG2 ILE 62 3HG2 ILE 62 0.210 15.614 -9.834 468 1HD1 ILE 62 1HD1 ILE 62 2.432 12.158 -10.058 469 2HD1 ILE 62 2HD1 ILE 62 3.783 12.871 -9.145 470 3HD1 ILE 62 3HD1 ILE 62 2.696 11.701 -8.358 471 H ALA 63 H ALA 63 -1.469 11.930 -10.915 472 HA ALA 63 HA ALA 63 -3.867 13.214 -10.678 473 1HB ALA 63 1HB ALA 63 -2.593 11.328 -12.423 474 2HB ALA 63 2HB ALA 63 -4.262 10.777 -12.135 475 3HB ALA 63 3HB ALA 63 -3.962 12.411 -12.773 476 HA PRO 64 HA PRO 64 -5.678 10.784 -7.501 477 1HB PRO 64 1HB PRO 64 -7.768 12.461 -6.964 478 2HB PRO 64 2HB PRO 64 -6.190 12.628 -6.220 479 1HG PRO 64 1HG PRO 64 -7.406 14.254 -8.368 480 2HG PRO 64 2HG PRO 64 -6.047 14.643 -7.331 481 1HD PRO 64 1HD PRO 64 -5.932 13.807 -10.073 482 2HD PRO 64 2HD PRO 64 -4.571 14.083 -9.003 483 H GLY 65 H GLY 65 -6.933 9.020 -7.591 484 1HA GLY 65 1HA GLY 65 -9.479 8.985 -8.673 485 2HA GLY 65 2HA GLY 65 -8.394 8.588 -9.991 486 H SER 66 H SER 66 -6.407 7.049 -8.970 487 HA SER 66 HA SER 66 -6.806 5.313 -7.006 488 1HB SER 66 1HB SER 66 -8.813 4.840 -9.056 489 2HB SER 66 2HB SER 66 -7.762 3.441 -8.936 490 HG SER 66 HG SER 66 -9.157 2.984 -7.331 491 H PHE 67 H PHE 67 -4.574 5.054 -7.024 492 HA PHE 67 HA PHE 67 -2.851 5.041 -9.035 493 1HB PHE 67 1HB PHE 67 -3.148 3.557 -6.423 494 2HB PHE 67 2HB PHE 67 -1.877 2.963 -7.472 495 HD1 PHE 67 HD1 PHE 67 -3.110 6.024 -5.776 496 HD2 PHE 67 HD2 PHE 67 0.191 4.067 -7.588 497 HE1 PHE 67 HE1 PHE 67 -1.583 7.837 -4.951 498 HE2 PHE 67 HE2 PHE 67 1.718 5.880 -6.763 499 HZ PHE 67 HZ PHE 67 0.813 7.744 -5.455 500 H TYR 68 H TYR 68 -3.434 1.755 -7.713 501 HA TYR 68 HA TYR 68 -4.520 0.716 -10.115 502 1HB TYR 68 1HB TYR 68 -2.328 -0.708 -10.459 503 2HB TYR 68 2HB TYR 68 -2.276 0.956 -11.007 504 HD1 TYR 68 HD1 TYR 68 -1.354 -1.249 -8.142 505 HD2 TYR 68 HD2 TYR 68 -0.664 2.461 -10.158 506 HE1 TYR 68 HE1 TYR 68 0.677 -0.822 -6.674 507 HE2 TYR 68 HE2 TYR 68 1.364 2.876 -8.683 508 HH TYR 68 HH TYR 68 2.511 0.406 -6.456 509 H SER 69 H SER 69 -4.280 -1.849 -10.037 510 HA SER 69 HA SER 69 -4.572 -2.553 -7.221 511 1HB SER 69 1HB SER 69 -5.926 -4.536 -8.580 512 2HB SER 69 2HB SER 69 -6.677 -3.124 -7.862 513 HG SER 69 HG SER 69 -7.249 -2.523 -9.825 514 H VAL 70 H VAL 70 -3.958 -4.849 -6.675 515 HA VAL 70 HA VAL 70 -2.214 -6.117 -8.625 516 HB VAL 70 HB VAL 70 -0.508 -6.379 -6.729 517 1HG1 VAL 70 1HG1 VAL 70 -0.695 -4.645 -8.852 518 2HG1 VAL 70 2HG1 VAL 70 -0.403 -3.534 -7.491 519 3HG1 VAL 70 3HG1 VAL 70 0.741 -4.857 -7.822 520 1HG2 VAL 70 1HG2 VAL 70 -2.228 -4.146 -5.651 521 2HG2 VAL 70 2HG2 VAL 70 -1.582 -5.577 -4.811 522 3HG2 VAL 70 3HG2 VAL 70 -0.494 -4.241 -5.263 523 H THR 71 H THR 71 -2.248 -8.352 -8.465 524 HA THR 71 HA THR 71 -4.018 -9.396 -6.364 525 HB THR 71 HB THR 71 -3.274 -10.295 -9.187 526 HG1 THR 71 HG1 THR 71 -5.435 -9.669 -9.460 527 1HG2 THR 71 1HG2 THR 71 -4.904 -11.738 -7.032 528 2HG2 THR 71 2HG2 THR 71 -4.964 -12.142 -8.764 529 3HG2 THR 71 3HG2 THR 71 -3.452 -12.360 -7.852 530 H LEU 72 H LEU 72 -3.485 -11.336 -5.235 531 HA LEU 72 HA LEU 72 -0.603 -11.899 -5.288 532 1HB LEU 72 1HB LEU 72 -2.433 -11.588 -2.908 533 2HB LEU 72 2HB LEU 72 -0.843 -12.321 -2.820 534 HG LEU 72 HG LEU 72 -1.117 -9.565 -3.977 535 1HD1 LEU 72 1HD1 LEU 72 -2.418 -9.695 -1.802 536 2HD1 LEU 72 2HD1 LEU 72 -0.864 -10.028 -1.002 537 3HD1 LEU 72 3HD1 LEU 72 -1.106 -8.495 -1.873 538 1HD2 LEU 72 1HD2 LEU 72 1.035 -11.183 -2.640 539 2HD2 LEU 72 2HD2 LEU 72 1.059 -10.329 -4.201 540 3HD2 LEU 72 3HD2 LEU 72 1.128 -9.406 -2.680 541 H GLY 73 H GLY 73 -0.230 -14.120 -4.029 542 1HA GLY 73 1HA GLY 73 -2.403 -16.004 -4.574 543 2HA GLY 73 2HA GLY 73 -0.903 -16.216 -5.454 544 H THR 74 H THR 74 1.020 -15.451 -3.507 545 HA THR 74 HA THR 74 1.033 -17.823 -1.905 546 HB THR 74 HB THR 74 2.949 -15.458 -1.739 547 HG1 THR 74 HG1 THR 74 3.274 -15.877 -3.885 548 1HG2 THR 74 1HG2 THR 74 3.360 -18.494 -1.737 549 2HG2 THR 74 2HG2 THR 74 4.627 -17.263 -1.512 550 3HG2 THR 74 3HG2 THR 74 3.363 -17.478 -0.276 551 HA PRO 75 HA PRO 75 -0.808 -16.173 1.617 552 1HB PRO 75 1HB PRO 75 -0.200 -18.158 3.395 553 2HB PRO 75 2HB PRO 75 -1.544 -18.253 2.275 554 1HG PRO 75 1HG PRO 75 1.067 -19.633 2.157 555 2HG PRO 75 2HG PRO 75 -0.419 -20.022 1.314 556 1HD PRO 75 1HD PRO 75 1.892 -18.731 0.210 557 2HD PRO 75 2HD PRO 75 0.364 -19.016 -0.599 558 H GLY 76 H GLY 76 -0.459 -15.103 3.622 559 1HA GLY 76 1HA GLY 76 1.487 -14.963 5.293 560 2HA GLY 76 2HA GLY 76 2.398 -14.436 3.892 561 H THR 77 H THR 77 2.485 -12.556 5.691 562 HA THR 77 HA THR 77 0.238 -10.730 5.156 563 HB THR 77 HB THR 77 2.247 -10.904 7.464 564 HG1 THR 77 HG1 THR 77 -0.659 -11.217 7.180 565 1HG2 THR 77 1HG2 THR 77 1.233 -8.544 6.760 566 2HG2 THR 77 2HG2 THR 77 -0.276 -9.218 7.418 567 3HG2 THR 77 3HG2 THR 77 1.156 -9.055 8.464 568 H TYR 78 H TYR 78 0.554 -9.058 3.836 569 HA TYR 78 HA TYR 78 3.332 -8.433 3.152 570 1HB TYR 78 1HB TYR 78 0.559 -7.853 1.941 571 2HB TYR 78 2HB TYR 78 2.044 -7.250 1.232 572 HD1 TYR 78 HD1 TYR 78 0.662 -10.539 2.427 573 HD2 TYR 78 HD2 TYR 78 2.888 -8.441 -0.565 574 HE1 TYR 78 HE1 TYR 78 0.903 -12.687 1.088 575 HE2 TYR 78 HE2 TYR 78 3.121 -10.596 -1.893 576 HH TYR 78 HH TYR 78 2.095 -13.659 -0.551 577 H SER 79 H SER 79 4.258 -6.502 3.688 578 HA SER 79 HA SER 79 2.431 -4.508 4.783 579 1HB SER 79 1HB SER 79 3.784 -5.419 6.582 580 2HB SER 79 2HB SER 79 5.255 -5.258 5.642 581 HG SER 79 HG SER 79 5.104 -2.975 5.779 582 H PHE 80 H PHE 80 3.356 -2.195 4.623 583 HA PHE 80 HA PHE 80 5.358 -1.801 2.605 584 1HB PHE 80 1HB PHE 80 3.577 -0.354 1.310 585 2HB PHE 80 2HB PHE 80 3.497 -2.092 1.098 586 HD1 PHE 80 HD1 PHE 80 1.873 -3.372 2.673 587 HD2 PHE 80 HD2 PHE 80 1.685 0.813 1.992 588 HE1 PHE 80 HE1 PHE 80 -0.517 -3.354 3.439 589 HE2 PHE 80 HE2 PHE 80 -0.706 0.830 2.756 590 HZ PHE 80 HZ PHE 80 -1.778 -1.254 3.471 591 H TYR 81 H TYR 81 5.257 0.782 2.034 592 HA TYR 81 HA TYR 81 4.340 2.373 4.234 593 1HB TYR 81 1HB TYR 81 6.686 3.045 4.860 594 2HB TYR 81 2HB TYR 81 6.471 1.321 5.096 595 HD1 TYR 81 HD1 TYR 81 7.714 3.789 2.568 596 HD2 TYR 81 HD2 TYR 81 7.982 -0.184 4.132 597 HE1 TYR 81 HE1 TYR 81 9.718 3.327 1.072 598 HE2 TYR 81 HE2 TYR 81 9.984 -0.633 2.630 599 HH TYR 81 HH TYR 81 11.530 0.326 1.362 600 H CYS 82 H CYS 82 5.064 4.733 3.916 601 HA CYS 82 HA CYS 82 4.862 5.268 1.082 602 1HB CYS 82 1HB CYS 82 3.625 6.384 3.214 603 2HB CYS 82 2HB CYS 82 4.963 7.501 3.027 604 H THR 83 H THR 83 6.450 6.499 -0.081 605 HA THR 83 HA THR 83 9.111 6.270 1.003 606 HB THR 83 HB THR 83 7.764 6.561 -1.605 607 HG1 THR 83 HG1 THR 83 9.867 5.466 -2.078 608 1HG2 THR 83 1HG2 THR 83 8.961 8.837 -1.413 609 2HG2 THR 83 2HG2 THR 83 10.477 7.922 -1.241 610 3HG2 THR 83 3HG2 THR 83 9.524 7.792 -2.740 611 HA PRO 84 HA PRO 84 8.667 10.955 0.856 612 1HB PRO 84 1HB PRO 84 6.203 12.090 0.521 613 2HB PRO 84 2HB PRO 84 7.333 11.847 -0.795 614 1HG PRO 84 1HG PRO 84 4.877 10.330 -0.157 615 2HG PRO 84 2HG PRO 84 5.770 10.388 -1.663 616 1HD PRO 84 1HD PRO 84 5.797 8.266 0.266 617 2HD PRO 84 2HD PRO 84 6.777 8.378 -1.182 618 H HIS 85 H HIS 85 5.707 9.569 2.175 619 HA HIS 85 HA HIS 85 6.053 11.195 4.532 620 1HB HIS 85 1HB HIS 85 3.957 9.143 3.769 621 2HB HIS 85 2HB HIS 85 3.934 10.083 5.247 622 HD2 HIS 85 HD2 HIS 85 3.599 12.962 4.795 623 HE1 HIS 85 HE1 HIS 85 1.889 12.395 0.940 624 HE2 HIS 85 HE2 HIS 85 2.257 14.030 2.911 625 H ARG 86 H ARG 86 7.825 8.763 3.491 626 HA ARG 86 HA ARG 86 7.627 6.637 5.076 627 1HB ARG 86 1HB ARG 86 9.427 7.250 3.302 628 2HB ARG 86 2HB ARG 86 10.308 8.020 4.606 629 1HG ARG 86 1HG ARG 86 11.020 6.025 5.447 630 2HG ARG 86 2HG ARG 86 9.416 5.326 5.372 631 1HD ARG 86 1HD ARG 86 9.715 4.509 3.184 632 2HD ARG 86 2HD ARG 86 10.913 5.722 2.778 633 HE ARG 86 HE ARG 86 11.852 3.981 4.908 634 1HH1 ARG 86 1HH1 ARG 86 11.432 4.192 1.420 635 2HH1 ARG 86 2HH1 ARG 86 12.692 3.056 1.071 636 1HH2 ARG 86 2HH2 ARG 86 13.513 2.481 4.449 637 2HH2 ARG 86 1HH2 ARG 86 13.883 2.075 2.806 638 H GLY 87 H GLY 87 8.438 9.933 6.026 639 1HA GLY 87 1HA GLY 87 9.393 9.063 8.664 640 2HA GLY 87 2HA GLY 87 9.516 10.668 7.972 641 H ALA 88 H ALA 88 6.631 10.519 6.956 642 HA ALA 88 HA ALA 88 5.439 11.767 9.159 643 1HB ALA 88 1HB ALA 88 4.967 11.490 6.425 644 2HB ALA 88 2HB ALA 88 3.584 10.657 7.174 645 3HB ALA 88 3HB ALA 88 3.931 12.354 7.585 646 H GLY 89 H GLY 89 5.777 8.402 8.198 647 1HA GLY 89 1HA GLY 89 5.409 6.629 9.644 648 2HA GLY 89 2HA GLY 89 4.313 7.607 10.600 649 H MET 90 H MET 90 4.508 6.702 7.076 650 HA MET 90 HA MET 90 1.699 5.946 7.314 651 1HB MET 90 1HB MET 90 3.378 7.233 5.144 652 2HB MET 90 2HB MET 90 2.038 6.226 4.633 653 1HG MET 90 1HG MET 90 0.692 7.667 6.459 654 2HG MET 90 2HG MET 90 1.980 8.822 6.180 655 1HE MET 90 1HE MET 90 -0.052 6.240 4.504 656 2HE MET 90 2HE MET 90 -0.989 7.077 3.242 657 3HE MET 90 3HE MET 90 0.664 6.516 2.899 658 H VAL 91 H VAL 91 1.772 3.742 7.759 659 HA VAL 91 HA VAL 91 2.960 2.107 5.658 660 HB VAL 91 HB VAL 91 3.761 0.557 7.520 661 1HG1 VAL 91 1HG1 VAL 91 5.007 2.616 6.108 662 2HG1 VAL 91 2HG1 VAL 91 5.544 2.848 7.789 663 3HG1 VAL 91 3HG1 VAL 91 5.806 1.285 6.978 664 1HG2 VAL 91 1HG2 VAL 91 2.668 2.672 9.121 665 2HG2 VAL 91 2HG2 VAL 91 3.409 1.140 9.642 666 3HG2 VAL 91 3HG2 VAL 91 4.422 2.583 9.406 667 H GLY 92 H GLY 92 1.946 0.002 5.460 668 1HA GLY 92 1HA GLY 92 -0.533 -0.298 7.032 669 2HA GLY 92 2HA GLY 92 -0.573 -0.343 5.280 670 H THR 93 H THR 93 -1.522 -2.585 5.930 671 HA THR 93 HA THR 93 0.580 -4.513 5.528 672 HB THR 93 HB THR 93 -1.211 -4.883 7.963 673 HG1 THR 93 HG1 THR 93 1.505 -3.794 7.801 674 1HG2 THR 93 1HG2 THR 93 1.296 -6.107 6.815 675 2HG2 THR 93 2HG2 THR 93 1.194 -5.963 8.587 676 3HG2 THR 93 3HG2 THR 93 -0.038 -6.890 7.697 677 H ILE 94 H ILE 94 -0.364 -6.752 5.209 678 HA ILE 94 HA ILE 94 -3.177 -6.756 4.564 679 HB ILE 94 HB ILE 94 -1.378 -7.541 2.325 680 1HG1 ILE 94 1HG1 ILE 94 -2.198 -4.669 2.853 681 2HG1 ILE 94 2HG1 ILE 94 -0.569 -5.301 3.003 682 1HG2 ILE 94 1HG2 ILE 94 -4.153 -7.396 2.784 683 2HG2 ILE 94 2HG2 ILE 94 -3.770 -6.100 1.626 684 3HG2 ILE 94 3HG2 ILE 94 -3.310 -7.781 1.264 685 1HD1 ILE 94 1HD1 ILE 94 -2.048 -5.761 0.411 686 2HD1 ILE 94 2HD1 ILE 94 -1.369 -4.148 0.742 687 3HD1 ILE 94 3HD1 ILE 94 -0.300 -5.571 0.695 688 H THR 95 H THR 95 -3.836 -9.027 3.802 689 HA THR 95 HA THR 95 -1.950 -11.081 4.651 690 HB THR 95 HB THR 95 -4.757 -10.840 5.847 691 HG1 THR 95 HG1 THR 95 -3.705 -9.351 7.102 692 1HG2 THR 95 1HG2 THR 95 -2.583 -12.831 5.954 693 2HG2 THR 95 2HG2 THR 95 -2.975 -12.190 7.568 694 3HG2 THR 95 3HG2 THR 95 -4.245 -12.951 6.580 695 H VAL 96 H VAL 96 -2.171 -13.007 3.578 696 HA VAL 96 HA VAL 96 -4.464 -13.152 1.748 697 HB VAL 96 HB VAL 96 -1.527 -13.510 1.239 698 1HG1 VAL 96 1HG1 VAL 96 -3.736 -15.123 0.119 699 2HG1 VAL 96 2HG1 VAL 96 -2.654 -14.391 -1.090 700 3HG1 VAL 96 3HG1 VAL 96 -1.986 -15.449 0.176 701 1HG2 VAL 96 1HG2 VAL 96 -2.888 -11.359 0.781 702 2HG2 VAL 96 2HG2 VAL 96 -1.837 -11.986 -0.512 703 3HG2 VAL 96 3HG2 VAL 96 -3.593 -12.268 -0.577 704 H GLU 97 H GLU 97 -5.508 -14.448 3.420 705 HA GLU 97 HA GLU 97 -4.176 -16.878 4.142 706 1HB GLU 97 1HB GLU 97 -6.130 -15.252 5.330 707 2HB GLU 97 2HB GLU 97 -7.027 -16.679 4.849 708 1HG GLU 97 1HG GLU 97 -6.238 -17.279 6.988 709 2HG GLU 97 2HG GLU 97 -5.063 -18.035 5.931 Start of MODEL 13 1 H ALA 1 H ALA 1 -12.751 -11.782 -3.655 2 HA ALA 1 HA ALA 1 -14.316 -9.954 -3.357 3 1HB ALA 1 1HB ALA 1 -15.181 -11.069 -1.213 4 2HB ALA 1 2HB ALA 1 -13.796 -10.315 -0.389 5 3HB ALA 1 3HB ALA 1 -15.022 -9.297 -1.179 6 H SER 2 H SER 2 -12.788 -8.714 -4.398 7 HA SER 2 HA SER 2 -10.196 -8.415 -3.409 8 1HB SER 2 1HB SER 2 -11.785 -6.760 -5.419 9 2HB SER 2 2HB SER 2 -10.069 -6.554 -5.131 10 HG SER 2 HG SER 2 -11.405 -8.914 -6.141 11 H VAL 3 H VAL 3 -9.180 -6.535 -2.423 12 HA VAL 3 HA VAL 3 -11.121 -4.781 -1.082 13 HB VAL 3 HB VAL 3 -9.413 -4.631 0.719 14 1HG1 VAL 3 1HG1 VAL 3 -11.405 -6.216 0.711 15 2HG1 VAL 3 2HG1 VAL 3 -10.260 -7.502 0.262 16 3HG1 VAL 3 3HG1 VAL 3 -10.066 -6.638 1.806 17 1HG2 VAL 3 1HG2 VAL 3 -8.077 -6.861 -0.849 18 2HG2 VAL 3 2HG2 VAL 3 -7.412 -5.249 -0.492 19 3HG2 VAL 3 3HG2 VAL 3 -7.674 -6.415 0.825 20 H GLN 4 H GLN 4 -9.777 -2.696 -0.248 21 HA GLN 4 HA GLN 4 -7.945 -1.895 -2.338 22 1HB GLN 4 1HB GLN 4 -9.275 0.382 -2.341 23 2HB GLN 4 2HB GLN 4 -9.828 -0.948 -3.338 24 1HG GLN 4 1HG GLN 4 -11.494 -1.598 -1.653 25 2HG GLN 4 2HG GLN 4 -10.865 -0.426 -0.513 26 1HE2 GLN 4 2HE2 GLN 4 -12.928 0.500 -0.379 27 2HE2 GLN 4 1HE2 GLN 4 -13.545 1.571 -1.592 28 H ILE 5 H ILE 5 -6.625 0.005 -1.726 29 HA ILE 5 HA ILE 5 -6.727 0.528 1.160 30 HB ILE 5 HB ILE 5 -4.427 -0.281 -0.575 31 1HG1 ILE 5 1HG1 ILE 5 -5.659 -1.940 0.820 32 2HG1 ILE 5 2HG1 ILE 5 -3.952 -1.814 1.195 33 1HG2 ILE 5 1HG2 ILE 5 -3.827 1.915 0.399 34 2HG2 ILE 5 2HG2 ILE 5 -4.137 1.253 2.021 35 3HG2 ILE 5 3HG2 ILE 5 -2.830 0.577 1.019 36 1HD1 ILE 5 1HD1 ILE 5 -5.629 0.056 2.765 37 2HD1 ILE 5 2HD1 ILE 5 -6.002 -1.659 3.053 38 3HD1 ILE 5 3HD1 ILE 5 -4.348 -1.052 3.310 39 H LYS 6 H LYS 6 -7.306 2.606 1.464 40 HA LYS 6 HA LYS 6 -6.759 4.504 -0.660 41 1HB LYS 6 1HB LYS 6 -8.706 4.226 1.515 42 2HB LYS 6 2HB LYS 6 -8.062 5.850 1.386 43 1HG LYS 6 1HG LYS 6 -8.619 5.900 -1.041 44 2HG LYS 6 2HG LYS 6 -9.217 4.255 -0.951 45 1HD LYS 6 1HD LYS 6 -11.104 4.865 0.350 46 2HD LYS 6 2HD LYS 6 -10.366 6.353 0.909 47 1HE LYS 6 1HE LYS 6 -11.501 7.428 -0.739 48 2HE LYS 6 2HE LYS 6 -10.423 6.661 -1.887 49 1HZ LYS 6 1HZ LYS 6 -12.851 5.352 -0.891 50 2HZ LYS 6 2HZ LYS 6 -12.828 6.266 -2.244 51 3HZ LYS 6 3HZ LYS 6 -11.932 4.903 -2.164 52 H MET 7 H MET 7 -5.240 6.116 -0.577 53 HA MET 7 HA MET 7 -3.525 6.021 1.765 54 1HB MET 7 1HB MET 7 -3.047 7.351 -0.958 55 2HB MET 7 2HB MET 7 -1.834 7.048 0.269 56 1HG MET 7 1HG MET 7 -2.913 4.505 -0.124 57 2HG MET 7 2HG MET 7 -2.988 5.188 -1.735 58 1HE MET 7 1HE MET 7 -1.266 4.508 -3.227 59 2HE MET 7 2HE MET 7 -0.842 6.223 -3.011 60 3HE MET 7 3HE MET 7 0.437 4.985 -3.034 61 H GLY 8 H GLY 8 -4.125 7.490 3.313 62 1HA GLY 8 1HA GLY 8 -3.932 9.776 3.963 63 2HA GLY 8 2HA GLY 8 -4.576 10.263 2.407 64 H THR 9 H THR 9 -5.620 11.085 4.993 65 HA THR 9 HA THR 9 -8.264 9.787 4.872 66 HB THR 9 HB THR 9 -8.193 10.700 7.406 67 HG1 THR 9 HG1 THR 9 -6.070 11.643 7.155 68 1HG2 THR 9 1HG2 THR 9 -7.240 8.164 6.157 69 2HG2 THR 9 2HG2 THR 9 -6.574 8.481 7.777 70 3HG2 THR 9 3HG2 THR 9 -8.336 8.399 7.540 71 H ASP 10 H ASP 10 -10.100 11.188 5.460 72 HA ASP 10 HA ASP 10 -10.015 13.496 3.958 73 1HB ASP 10 1HB ASP 10 -12.019 12.024 4.831 74 2HB ASP 10 2HB ASP 10 -11.973 13.062 6.241 75 H LYS 11 H LYS 11 -8.847 12.796 7.130 76 HA LYS 11 HA LYS 11 -9.204 15.507 8.108 77 1HB LYS 11 1HB LYS 11 -8.299 14.640 10.196 78 2HB LYS 11 2HB LYS 11 -9.625 13.643 9.633 79 1HG LYS 11 1HG LYS 11 -7.333 12.501 8.431 80 2HG LYS 11 2HG LYS 11 -6.809 12.922 10.049 81 1HD LYS 11 1HD LYS 11 -9.502 11.646 9.907 82 2HD LYS 11 2HD LYS 11 -8.178 10.614 9.403 83 1HE LYS 11 1HE LYS 11 -8.086 12.193 12.009 84 2HE LYS 11 2HE LYS 11 -8.790 10.591 11.920 85 1HZ LYS 11 1HZ LYS 11 -6.044 11.247 11.106 86 2HZ LYS 11 2HZ LYS 11 -6.459 10.554 12.526 87 3HZ LYS 11 3HZ LYS 11 -6.707 9.754 11.123 88 H TYR 12 H TYR 12 -7.726 15.360 5.702 89 HA TYR 12 HA TYR 12 -5.693 15.690 4.798 90 1HB TYR 12 1HB TYR 12 -6.459 17.625 6.899 91 2HB TYR 12 2HB TYR 12 -4.714 17.571 6.753 92 HD1 TYR 12 HD1 TYR 12 -7.860 18.309 4.950 93 HD2 TYR 12 HD2 TYR 12 -3.587 18.484 4.828 94 HE1 TYR 12 HE1 TYR 12 -7.974 19.852 2.933 95 HE2 TYR 12 HE2 TYR 12 -3.715 20.027 2.811 96 HH TYR 12 HH TYR 12 -6.417 21.652 1.955 97 H ALA 13 H ALA 13 -5.574 13.375 6.468 98 HA ALA 13 HA ALA 13 -2.913 13.705 7.673 99 1HB ALA 13 1HB ALA 13 -5.353 12.656 8.721 100 2HB ALA 13 2HB ALA 13 -4.237 11.287 8.500 101 3HB ALA 13 3HB ALA 13 -3.748 12.684 9.489 102 HA PRO 14 HA PRO 14 -1.879 11.133 4.266 103 1HB PRO 14 1HB PRO 14 0.830 11.446 4.439 104 2HB PRO 14 2HB PRO 14 -0.207 12.546 3.552 105 1HG PRO 14 1HG PRO 14 1.100 12.939 6.175 106 2HG PRO 14 2HG PRO 14 0.428 14.142 5.092 107 1HD PRO 14 1HD PRO 14 -0.762 13.151 7.506 108 2HD PRO 14 2HD PRO 14 -1.483 14.266 6.362 109 H LEU 15 H LEU 15 -2.860 9.374 5.522 110 HA LEU 15 HA LEU 15 -0.678 7.609 6.326 111 1HB LEU 15 1HB LEU 15 -1.863 6.909 8.315 112 2HB LEU 15 2HB LEU 15 -1.449 8.611 8.379 113 HG LEU 15 HG LEU 15 -3.908 8.944 7.484 114 1HD1 LEU 15 1HD1 LEU 15 -3.914 6.125 8.527 115 2HD1 LEU 15 2HD1 LEU 15 -5.359 7.152 8.680 116 3HD1 LEU 15 3HD1 LEU 15 -4.683 6.800 7.071 117 1HD2 LEU 15 1HD2 LEU 15 -2.977 9.749 9.633 118 2HD2 LEU 15 2HD2 LEU 15 -4.676 9.232 9.755 119 3HD2 LEU 15 3HD2 LEU 15 -3.378 8.178 10.367 120 H TYR 16 H TYR 16 -1.339 5.294 6.301 121 HA TYR 16 HA TYR 16 -2.990 4.818 4.013 122 1HB TYR 16 1HB TYR 16 -1.213 3.369 5.997 123 2HB TYR 16 2HB TYR 16 -2.386 2.373 5.158 124 HD1 TYR 16 HD1 TYR 16 -2.460 3.016 2.464 125 HD2 TYR 16 HD2 TYR 16 0.909 3.357 5.079 126 HE1 TYR 16 HE1 TYR 16 -0.889 2.853 0.472 127 HE2 TYR 16 HE2 TYR 16 2.469 3.193 3.078 128 HH TYR 16 HH TYR 16 2.493 3.498 0.788 129 H GLU 17 H GLU 17 -4.997 3.772 3.902 130 HA GLU 17 HA GLU 17 -6.174 2.920 6.383 131 1HB GLU 17 1HB GLU 17 -6.727 5.367 6.192 132 2HB GLU 17 2HB GLU 17 -7.516 5.051 4.659 133 1HG GLU 17 1HG GLU 17 -9.152 3.567 5.741 134 2HG GLU 17 2HG GLU 17 -8.304 3.678 7.271 135 HA PRO 18 HA PRO 18 -7.442 1.823 7.010 136 1HB PRO 18 1HB PRO 18 -7.682 -0.847 7.539 137 2HB PRO 18 2HB PRO 18 -9.059 0.220 7.353 138 1HG PRO 18 1HG PRO 18 -8.004 -1.790 5.461 139 2HG PRO 18 2HG PRO 18 -9.583 -1.033 5.489 140 1HD PRO 18 1HD PRO 18 -7.413 -0.410 3.720 141 2HD PRO 18 2HD PRO 18 -8.950 0.425 3.827 142 H LYS 19 H LYS 19 -6.066 0.951 8.810 143 HA LYS 19 HA LYS 19 -3.399 1.039 7.868 144 1HB LYS 19 1HB LYS 19 -4.612 1.667 10.202 145 2HB LYS 19 2HB LYS 19 -3.972 0.093 10.628 146 1HG LYS 19 1HG LYS 19 -1.832 0.870 10.696 147 2HG LYS 19 2HG LYS 19 -1.987 1.662 9.141 148 1HD LYS 19 1HD LYS 19 -2.465 3.701 10.078 149 2HD LYS 19 2HD LYS 19 -3.515 3.008 11.298 150 1HE LYS 19 1HE LYS 19 -0.519 2.578 11.492 151 2HE LYS 19 2HE LYS 19 -1.206 4.106 12.007 152 1HZ LYS 19 1HZ LYS 19 -2.636 1.851 12.991 153 2HZ LYS 19 2HZ LYS 19 -1.084 1.888 13.500 154 3HZ LYS 19 3HZ LYS 19 -2.071 3.156 13.795 155 H ALA 20 H ALA 20 -5.653 -1.553 8.905 156 HA ALA 20 HA ALA 20 -3.604 -3.481 8.047 157 1HB ALA 20 1HB ALA 20 -4.285 -3.347 10.555 158 2HB ALA 20 2HB ALA 20 -5.814 -4.087 10.022 159 3HB ALA 20 3HB ALA 20 -4.274 -4.943 9.766 160 H LEU 21 H LEU 21 -4.330 -5.259 6.765 161 HA LEU 21 HA LEU 21 -7.125 -5.254 5.992 162 1HB LEU 21 1HB LEU 21 -6.470 -3.763 4.366 163 2HB LEU 21 2HB LEU 21 -4.867 -4.452 4.209 164 HG LEU 21 HG LEU 21 -5.917 -6.469 3.122 165 1HD1 LEU 21 1HD1 LEU 21 -8.284 -5.454 4.091 166 2HD1 LEU 21 2HD1 LEU 21 -8.351 -5.028 2.364 167 3HD1 LEU 21 3HD1 LEU 21 -8.119 -6.723 2.854 168 1HD2 LEU 21 1HD2 LEU 21 -5.269 -3.945 2.065 169 2HD2 LEU 21 2HD2 LEU 21 -5.322 -5.507 1.214 170 3HD2 LEU 21 3HD2 LEU 21 -6.759 -4.458 1.236 171 H SER 22 H SER 22 -7.834 -7.288 5.229 172 HA SER 22 HA SER 22 -5.757 -9.329 5.229 173 1HB SER 22 1HB SER 22 -7.138 -9.232 7.398 174 2HB SER 22 2HB SER 22 -8.523 -9.725 6.443 175 HG SER 22 HG SER 22 -7.744 -11.666 7.095 176 H ILE 23 H ILE 23 -6.144 -11.112 3.772 177 HA ILE 23 HA ILE 23 -8.603 -11.159 2.284 178 HB ILE 23 HB ILE 23 -7.576 -10.833 0.108 179 1HG1 ILE 23 1HG1 ILE 23 -5.079 -9.784 1.427 180 2HG1 ILE 23 2HG1 ILE 23 -5.230 -11.484 1.028 181 1HG2 ILE 23 1HG2 ILE 23 -8.653 -8.949 1.310 182 2HG2 ILE 23 2HG2 ILE 23 -7.054 -8.464 1.923 183 3HG2 ILE 23 3HG2 ILE 23 -7.383 -8.431 0.175 184 1HD1 ILE 23 1HD1 ILE 23 -5.871 -9.380 -1.059 185 2HD1 ILE 23 2HD1 ILE 23 -4.187 -9.863 -0.747 186 3HD1 ILE 23 3HD1 ILE 23 -5.372 -11.071 -1.296 187 H SER 24 H SER 24 -8.008 -12.873 0.270 188 HA SER 24 HA SER 24 -6.603 -15.024 1.651 189 1HB SER 24 1HB SER 24 -8.989 -15.387 -0.207 190 2HB SER 24 2HB SER 24 -8.221 -16.617 0.775 191 HG SER 24 HG SER 24 -9.651 -16.093 2.274 192 H ALA 25 H ALA 25 -6.021 -16.862 -0.066 193 HA ALA 25 HA ALA 25 -4.352 -15.638 -1.984 194 1HB ALA 25 1HB ALA 25 -4.580 -18.114 -0.700 195 2HB ALA 25 2HB ALA 25 -4.908 -18.481 -2.410 196 3HB ALA 25 3HB ALA 25 -3.388 -17.676 -1.947 197 H GLY 26 H GLY 26 -5.216 -14.546 -3.696 198 1HA GLY 26 1HA GLY 26 -6.028 -15.132 -5.964 199 2HA GLY 26 2HA GLY 26 -7.392 -15.901 -5.177 200 H ASP 27 H ASP 27 -6.829 -13.427 -3.102 201 HA ASP 27 HA ASP 27 -8.940 -11.902 -4.228 202 1HB ASP 27 1HB ASP 27 -7.246 -11.718 -1.713 203 2HB ASP 27 2HB ASP 27 -8.334 -10.411 -2.138 204 H THR 28 H THR 28 -8.566 -9.299 -4.011 205 HA THR 28 HA THR 28 -5.907 -8.667 -5.104 206 HB THR 28 HB THR 28 -8.540 -7.447 -6.059 207 HG1 THR 28 HG1 THR 28 -8.213 -9.890 -6.307 208 1HG2 THR 28 1HG2 THR 28 -5.752 -7.734 -7.301 209 2HG2 THR 28 2HG2 THR 28 -7.168 -7.026 -8.115 210 3HG2 THR 28 3HG2 THR 28 -6.462 -6.218 -6.695 211 H VAL 29 H VAL 29 -5.173 -6.476 -4.754 212 HA VAL 29 HA VAL 29 -6.627 -5.140 -2.586 213 HB VAL 29 HB VAL 29 -3.674 -5.764 -2.742 214 1HG1 VAL 29 1HG1 VAL 29 -4.660 -3.404 -1.815 215 2HG1 VAL 29 2HG1 VAL 29 -4.745 -4.397 -0.341 216 3HG1 VAL 29 3HG1 VAL 29 -3.192 -4.192 -1.187 217 1HG2 VAL 29 1HG2 VAL 29 -5.093 -7.602 -1.913 218 2HG2 VAL 29 2HG2 VAL 29 -4.042 -6.947 -0.634 219 3HG2 VAL 29 3HG2 VAL 29 -5.769 -6.515 -0.675 220 H GLU 30 H GLU 30 -7.441 -3.415 -3.724 221 HA GLU 30 HA GLU 30 -5.832 -2.194 -5.733 222 1HB GLU 30 1HB GLU 30 -8.491 -2.461 -5.494 223 2HB GLU 30 2HB GLU 30 -8.347 -0.916 -4.679 224 1HG GLU 30 1HG GLU 30 -6.721 -0.613 -6.956 225 2HG GLU 30 2HG GLU 30 -8.083 -1.546 -7.545 226 H PHE 31 H PHE 31 -5.530 0.290 -5.709 227 HA PHE 31 HA PHE 31 -5.210 1.326 -3.010 228 1HB PHE 31 1HB PHE 31 -3.082 0.951 -5.191 229 2HB PHE 31 2HB PHE 31 -2.858 2.117 -3.902 230 HD1 PHE 31 HD1 PHE 31 -3.068 -1.456 -4.707 231 HD2 PHE 31 HD2 PHE 31 -2.353 1.403 -1.654 232 HE1 PHE 31 HE1 PHE 31 -2.124 -3.259 -3.238 233 HE2 PHE 31 HE2 PHE 31 -1.409 -0.400 -0.185 234 HZ PHE 31 HZ PHE 31 -1.306 -2.710 -0.995 235 H VAL 32 H VAL 32 -6.018 3.367 -2.931 236 HA VAL 32 HA VAL 32 -5.857 4.956 -5.391 237 HB VAL 32 HB VAL 32 -8.106 3.933 -5.077 238 1HG1 VAL 32 1HG1 VAL 32 -7.731 4.703 -2.391 239 2HG1 VAL 32 2HG1 VAL 32 -9.041 5.732 -3.016 240 3HG1 VAL 32 3HG1 VAL 32 -9.175 3.960 -3.119 241 1HG2 VAL 32 1HG2 VAL 32 -7.422 6.484 -5.870 242 2HG2 VAL 32 2HG2 VAL 32 -9.016 5.722 -6.088 243 3HG2 VAL 32 3HG2 VAL 32 -8.720 6.781 -4.688 244 H MET 33 H MET 33 -5.637 7.242 -5.053 245 HA MET 33 HA MET 33 -4.469 7.788 -2.472 246 1HB MET 33 1HB MET 33 -4.277 8.830 -5.259 247 2HB MET 33 2HB MET 33 -4.252 10.100 -4.052 248 1HG MET 33 1HG MET 33 -2.356 9.031 -2.890 249 2HG MET 33 2HG MET 33 -2.434 7.645 -3.958 250 1HE MET 33 1HE MET 33 -2.375 11.524 -4.014 251 2HE MET 33 2HE MET 33 -1.643 11.881 -5.597 252 3HE MET 33 3HE MET 33 -3.261 11.145 -5.510 253 H ASN 34 H ASN 34 -5.618 8.768 -0.869 254 HA ASN 34 HA ASN 34 -8.186 9.798 -1.468 255 1HB ASN 34 1HB ASN 34 -6.568 9.163 0.943 256 2HB ASN 34 2HB ASN 34 -7.584 10.575 1.160 257 1HD2 ASN 34 2HD2 ASN 34 -9.191 9.876 2.380 258 2HD2 ASN 34 1HD2 ASN 34 -10.259 8.559 2.023 259 H LYS 35 H LYS 35 -5.293 11.192 0.278 260 HA LYS 35 HA LYS 35 -5.288 13.546 -1.297 261 1HB LYS 35 1HB LYS 35 -5.854 15.082 0.661 262 2HB LYS 35 2HB LYS 35 -7.189 14.298 -0.159 263 1HG LYS 35 1HG LYS 35 -6.183 12.588 1.988 264 2HG LYS 35 2HG LYS 35 -6.561 14.179 2.614 265 1HD LYS 35 1HD LYS 35 -8.442 12.392 1.001 266 2HD LYS 35 2HD LYS 35 -8.550 12.712 2.721 267 1HE LYS 35 1HE LYS 35 -9.902 14.467 2.214 268 2HE LYS 35 2HE LYS 35 -8.484 15.285 1.587 269 1HZ LYS 35 1HZ LYS 35 -9.290 13.540 -0.367 270 2HZ LYS 35 2HZ LYS 35 -10.661 14.243 0.173 271 3HZ LYS 35 3HZ LYS 35 -9.434 15.167 -0.379 272 H VAL 36 H VAL 36 -3.944 15.288 0.403 273 HA VAL 36 HA VAL 36 -1.847 15.670 1.023 274 HB VAL 36 HB VAL 36 -1.931 13.206 2.718 275 1HG1 VAL 36 1HG1 VAL 36 -0.927 16.036 2.978 276 2HG1 VAL 36 2HG1 VAL 36 -1.216 15.036 4.423 277 3HG1 VAL 36 3HG1 VAL 36 -0.050 14.502 3.188 278 1HG2 VAL 36 1HG2 VAL 36 -3.771 15.600 3.001 279 2HG2 VAL 36 2HG2 VAL 36 -4.220 13.884 2.853 280 3HG2 VAL 36 3HG2 VAL 36 -3.413 14.469 4.327 281 H GLY 37 H GLY 37 -1.616 14.760 -1.413 282 1HA GLY 37 1HA GLY 37 0.314 12.520 -1.310 283 2HA GLY 37 2HA GLY 37 -0.718 12.901 -2.674 284 HA PRO 38 HA PRO 38 0.318 12.334 -4.061 285 1HB PRO 38 1HB PRO 38 2.402 11.524 -5.631 286 2HB PRO 38 2HB PRO 38 1.165 12.636 -6.180 287 1HG PRO 38 1HG PRO 38 3.956 13.209 -5.392 288 2HG PRO 38 2HG PRO 38 2.854 14.200 -6.329 289 1HD PRO 38 1HD PRO 38 3.573 14.565 -3.575 290 2HD PRO 38 2HD PRO 38 2.384 15.483 -4.479 291 H HIS 39 H HIS 39 1.177 9.919 -4.420 292 HA HIS 39 HA HIS 39 2.864 9.355 -2.108 293 1HB HIS 39 1HB HIS 39 0.329 7.812 -2.697 294 2HB HIS 39 2HB HIS 39 1.398 7.628 -1.320 295 HD2 HIS 39 HD2 HIS 39 -0.916 10.572 -2.707 296 HE1 HIS 39 HE1 HIS 39 -0.890 10.670 1.547 297 HE2 HIS 39 HE2 HIS 39 -1.791 11.751 -0.625 298 H ASN 40 H ASN 40 2.734 6.513 -2.337 299 HA ASN 40 HA ASN 40 3.068 5.711 -4.989 300 1HB ASN 40 1HB ASN 40 5.629 5.142 -4.584 301 2HB ASN 40 2HB ASN 40 5.187 6.740 -5.152 302 1HD2 ASN 40 2HD2 ASN 40 7.446 6.928 -4.148 303 2HD2 ASN 40 1HD2 ASN 40 7.522 7.475 -2.506 304 H VAL 41 H VAL 41 4.081 3.360 -4.978 305 HA VAL 41 HA VAL 41 3.374 2.107 -2.417 306 HB VAL 41 HB VAL 41 3.308 1.030 -5.243 307 1HG1 VAL 41 1HG1 VAL 41 3.898 -0.709 -3.600 308 2HG1 VAL 41 2HG1 VAL 41 2.452 -0.295 -2.647 309 3HG1 VAL 41 3HG1 VAL 41 2.276 -0.971 -4.284 310 1HG2 VAL 41 1HG2 VAL 41 1.535 2.742 -4.468 311 2HG2 VAL 41 2HG2 VAL 41 0.971 1.215 -5.188 312 3HG2 VAL 41 3HG2 VAL 41 0.934 1.434 -3.422 313 H ILE 42 H ILE 42 5.114 1.532 -1.230 314 HA ILE 42 HA ILE 42 7.356 0.333 -2.668 315 HB ILE 42 HB ILE 42 7.759 2.366 -0.483 316 1HG1 ILE 42 1HG1 ILE 42 6.643 3.406 -2.456 317 2HG1 ILE 42 2HG1 ILE 42 8.240 4.040 -2.114 318 1HG2 ILE 42 1HG2 ILE 42 9.530 0.658 -0.875 319 2HG2 ILE 42 2HG2 ILE 42 9.686 1.264 -2.543 320 3HG2 ILE 42 3HG2 ILE 42 10.059 2.333 -1.169 321 1HD1 ILE 42 1HD1 ILE 42 8.327 1.721 -3.936 322 2HD1 ILE 42 2HD1 ILE 42 7.372 3.078 -4.582 323 3HD1 ILE 42 3HD1 ILE 42 9.070 3.329 -4.110 324 H PHE 43 H PHE 43 6.115 -1.599 -1.895 325 HA PHE 43 HA PHE 43 5.522 -2.167 0.690 326 1HB PHE 43 1HB PHE 43 6.731 -3.818 -1.600 327 2HB PHE 43 2HB PHE 43 6.169 -4.584 -0.127 328 HD1 PHE 43 HD1 PHE 43 3.775 -4.634 0.414 329 HD2 PHE 43 HD2 PHE 43 5.171 -2.953 -3.224 330 HE1 PHE 43 HE1 PHE 43 1.449 -4.734 -0.524 331 HE2 PHE 43 HE2 PHE 43 2.845 -3.053 -4.162 332 HZ PHE 43 HZ PHE 43 1.012 -3.943 -2.801 333 H ASP 44 H ASP 44 6.654 -3.703 2.238 334 HA ASP 44 HA ASP 44 9.341 -2.733 2.563 335 1HB ASP 44 1HB ASP 44 7.344 -3.108 4.355 336 2HB ASP 44 2HB ASP 44 8.077 -4.696 4.465 337 H LYS 45 H LYS 45 7.630 -5.935 2.983 338 HA LYS 45 HA LYS 45 9.313 -7.309 1.208 339 1HB LYS 45 1HB LYS 45 10.356 -6.956 3.905 340 2HB LYS 45 2HB LYS 45 10.132 -8.651 3.523 341 1HG LYS 45 1HG LYS 45 11.283 -8.013 1.219 342 2HG LYS 45 2HG LYS 45 11.851 -6.604 2.093 343 1HD LYS 45 1HD LYS 45 12.227 -9.054 3.672 344 2HD LYS 45 2HD LYS 45 13.008 -9.183 2.109 345 1HE LYS 45 1HE LYS 45 13.866 -6.710 2.692 346 2HE LYS 45 2HE LYS 45 13.543 -7.215 4.339 347 1HZ LYS 45 1HZ LYS 45 15.150 -8.833 2.495 348 2HZ LYS 45 2HZ LYS 45 15.806 -7.700 3.472 349 3HZ LYS 45 3HZ LYS 45 15.034 -8.988 4.117 350 H VAL 46 H VAL 46 8.727 -9.608 1.085 351 HA VAL 46 HA VAL 46 6.347 -10.264 2.657 352 HB VAL 46 HB VAL 46 6.643 -10.361 -0.348 353 1HG1 VAL 46 1HG1 VAL 46 5.577 -12.430 0.828 354 2HG1 VAL 46 2HG1 VAL 46 4.200 -11.340 1.118 355 3HG1 VAL 46 3HG1 VAL 46 4.733 -11.677 -0.547 356 1HG2 VAL 46 1HG2 VAL 46 5.938 -8.200 0.768 357 2HG2 VAL 46 2HG2 VAL 46 4.790 -8.861 -0.421 358 3HG2 VAL 46 3HG2 VAL 46 4.477 -9.054 1.321 359 HA PRO 47 HA PRO 47 8.474 -14.012 3.026 360 1HB PRO 47 1HB PRO 47 6.480 -15.605 4.006 361 2HB PRO 47 2HB PRO 47 7.402 -14.500 5.005 362 1HG PRO 47 1HG PRO 47 4.632 -14.227 4.011 363 2HG PRO 47 2HG PRO 47 5.415 -13.374 5.327 364 1HD PRO 47 1HD PRO 47 4.875 -12.353 2.702 365 2HD PRO 47 2HD PRO 47 5.760 -11.544 3.980 366 H ALA 48 H ALA 48 8.193 -16.515 2.564 367 HA ALA 48 HA ALA 48 7.872 -18.084 1.029 368 1HB ALA 48 1HB ALA 48 5.559 -16.357 0.715 369 2HB ALA 48 2HB ALA 48 6.056 -17.021 -0.860 370 3HB ALA 48 3HB ALA 48 5.689 -18.119 0.493 371 H GLY 49 H GLY 49 7.767 -18.190 -1.683 372 1HA GLY 49 1HA GLY 49 10.221 -16.826 -2.423 373 2HA GLY 49 2HA GLY 49 9.378 -18.078 -3.312 374 H GLU 50 H GLU 50 8.079 -14.964 -1.995 375 HA GLU 50 HA GLU 50 6.984 -14.435 -4.591 376 1HB GLU 50 1HB GLU 50 6.123 -13.955 -1.996 377 2HB GLU 50 2HB GLU 50 6.670 -12.366 -2.493 378 1HG GLU 50 1HG GLU 50 5.179 -13.584 -4.673 379 2HG GLU 50 2HG GLU 50 4.228 -13.680 -3.205 380 H SER 51 H SER 51 6.994 -11.659 -4.787 381 HA SER 51 HA SER 51 9.849 -11.064 -4.834 382 1HB SER 51 1HB SER 51 7.845 -10.075 -6.900 383 2HB SER 51 2HB SER 51 9.592 -9.960 -6.972 384 HG SER 51 HG SER 51 8.276 -12.521 -6.825 385 H ALA 52 H ALA 52 9.340 -10.077 -2.667 386 HA ALA 52 HA ALA 52 7.477 -8.002 -2.410 387 1HB ALA 52 1HB ALA 52 9.248 -9.454 -0.783 388 2HB ALA 52 2HB ALA 52 9.800 -7.766 -0.658 389 3HB ALA 52 3HB ALA 52 8.117 -8.185 -0.259 390 HA PRO 53 HA PRO 53 11.150 -5.180 -3.356 391 1HB PRO 53 1HB PRO 53 13.529 -6.230 -4.196 392 2HB PRO 53 2HB PRO 53 13.200 -5.817 -2.525 393 1HG PRO 53 1HG PRO 53 13.306 -8.488 -3.786 394 2HG PRO 53 2HG PRO 53 13.404 -8.072 -2.087 395 1HD PRO 53 1HD PRO 53 11.130 -9.155 -3.460 396 2HD PRO 53 2HD PRO 53 11.193 -8.632 -1.789 397 H ALA 54 H ALA 54 9.159 -5.909 -4.987 398 HA ALA 54 HA ALA 54 10.307 -5.149 -7.509 399 1HB ALA 54 1HB ALA 54 10.571 -7.676 -7.376 400 2HB ALA 54 2HB ALA 54 8.795 -7.781 -7.337 401 3HB ALA 54 3HB ALA 54 9.614 -7.083 -8.754 402 H LEU 55 H LEU 55 7.455 -6.365 -5.646 403 HA LEU 55 HA LEU 55 5.520 -5.275 -7.329 404 1HB LEU 55 1HB LEU 55 5.627 -6.213 -4.496 405 2HB LEU 55 2HB LEU 55 4.220 -5.313 -5.029 406 HG LEU 55 HG LEU 55 5.244 -7.839 -6.356 407 1HD1 LEU 55 1HD1 LEU 55 4.265 -7.895 -3.907 408 2HD1 LEU 55 2HD1 LEU 55 2.712 -7.760 -4.768 409 3HD1 LEU 55 3HD1 LEU 55 3.807 -9.118 -5.117 410 1HD2 LEU 55 1HD2 LEU 55 2.926 -6.010 -6.883 411 2HD2 LEU 55 2HD2 LEU 55 4.055 -6.781 -8.022 412 3HD2 LEU 55 3HD2 LEU 55 2.785 -7.748 -7.237 413 H SER 56 H SER 56 7.702 -3.828 -4.978 414 HA SER 56 HA SER 56 6.160 -1.541 -4.500 415 1HB SER 56 1HB SER 56 8.650 -0.650 -3.980 416 2HB SER 56 2HB SER 56 7.789 -1.717 -2.888 417 HG SER 56 HG SER 56 9.400 -3.090 -3.154 418 H ASN 57 H ASN 57 5.848 0.272 -5.762 419 HA ASN 57 HA ASN 57 7.615 0.508 -8.070 420 1HB ASN 57 1HB ASN 57 5.073 -0.029 -8.418 421 2HB ASN 57 2HB ASN 57 4.775 1.618 -7.898 422 1HD2 ASN 57 2HD2 ASN 57 4.024 0.762 -10.374 423 2HD2 ASN 57 1HD2 ASN 57 4.969 1.521 -11.610 424 H THR 58 H THR 58 8.991 2.260 -7.721 425 HA THR 58 HA THR 58 8.133 4.385 -5.935 426 HB THR 58 HB THR 58 10.406 3.302 -5.779 427 HG1 THR 58 HG1 THR 58 11.016 5.360 -5.216 428 1HG2 THR 58 1HG2 THR 58 10.693 3.057 -8.339 429 2HG2 THR 58 2HG2 THR 58 10.989 4.812 -8.371 430 3HG2 THR 58 3HG2 THR 58 12.087 3.741 -7.468 431 H LYS 59 H LYS 59 6.468 4.306 -8.152 432 HA LYS 59 HA LYS 59 7.459 6.598 -9.700 433 1HB LYS 59 1HB LYS 59 7.172 4.634 -11.097 434 2HB LYS 59 2HB LYS 59 5.544 4.389 -10.500 435 1HG LYS 59 1HG LYS 59 5.126 6.859 -11.348 436 2HG LYS 59 2HG LYS 59 6.580 6.606 -12.293 437 1HD LYS 59 1HD LYS 59 4.606 4.373 -12.429 438 2HD LYS 59 2HD LYS 59 4.043 5.887 -13.110 439 1HE LYS 59 1HE LYS 59 5.603 5.863 -14.831 440 2HE LYS 59 2HE LYS 59 6.830 5.073 -13.861 441 1HZ LYS 59 1HZ LYS 59 4.671 3.342 -14.179 442 2HZ LYS 59 2HZ LYS 59 5.099 3.902 -15.652 443 3HZ LYS 59 3HZ LYS 59 6.206 3.159 -14.707 444 H LEU 60 H LEU 60 6.780 7.948 -7.841 445 HA LEU 60 HA LEU 60 4.267 8.009 -6.776 446 1HB LEU 60 1HB LEU 60 4.834 10.581 -6.653 447 2HB LEU 60 2HB LEU 60 5.650 9.386 -5.665 448 HG LEU 60 HG LEU 60 6.975 9.845 -8.246 449 1HD1 LEU 60 1HD1 LEU 60 5.902 12.136 -7.317 450 2HD1 LEU 60 2HD1 LEU 60 7.426 12.117 -6.397 451 3HD1 LEU 60 3HD1 LEU 60 7.459 12.049 -8.175 452 1HD2 LEU 60 1HD2 LEU 60 7.711 9.534 -5.364 453 2HD2 LEU 60 2HD2 LEU 60 8.278 8.643 -6.797 454 3HD2 LEU 60 3HD2 LEU 60 8.881 10.286 -6.476 455 H ALA 61 H ALA 61 2.257 8.378 -7.547 456 HA ALA 61 HA ALA 61 2.092 9.726 -10.156 457 1HB ALA 61 1HB ALA 61 1.445 7.188 -9.788 458 2HB ALA 61 2HB ALA 61 -0.041 7.882 -9.094 459 3HB ALA 61 3HB ALA 61 0.409 8.244 -10.779 460 H ILE 62 H ILE 62 1.147 11.700 -10.121 461 HA ILE 62 HA ILE 62 -0.144 12.541 -7.683 462 HB ILE 62 HB ILE 62 1.488 13.957 -8.827 463 1HG1 ILE 62 1HG1 ILE 62 0.047 16.045 -8.909 464 2HG1 ILE 62 2HG1 ILE 62 -1.343 15.014 -8.633 465 1HG2 ILE 62 1HG2 ILE 62 -0.538 13.985 -11.079 466 2HG2 ILE 62 2HG2 ILE 62 0.837 15.108 -10.937 467 3HG2 ILE 62 3HG2 ILE 62 1.130 13.363 -11.127 468 1HD1 ILE 62 1HD1 ILE 62 0.934 14.530 -6.774 469 2HD1 ILE 62 2HD1 ILE 62 0.166 16.130 -6.628 470 3HD1 ILE 62 3HD1 ILE 62 -0.809 14.653 -6.432 471 H ALA 63 H ALA 63 -0.980 12.002 -11.157 472 HA ALA 63 HA ALA 63 -3.492 12.899 -11.296 473 1HB ALA 63 1HB ALA 63 -2.275 11.744 -13.106 474 2HB ALA 63 2HB ALA 63 -2.488 10.191 -12.265 475 3HB ALA 63 3HB ALA 63 -3.905 11.063 -12.897 476 HA PRO 64 HA PRO 64 -5.238 10.673 -7.886 477 1HB PRO 64 1HB PRO 64 -7.224 12.468 -7.335 478 2HB PRO 64 2HB PRO 64 -5.627 12.554 -6.617 479 1HG PRO 64 1HG PRO 64 -6.787 14.224 -8.763 480 2HG PRO 64 2HG PRO 64 -5.392 14.548 -7.752 481 1HD PRO 64 1HD PRO 64 -5.366 13.679 -10.486 482 2HD PRO 64 2HD PRO 64 -3.976 13.891 -9.440 483 H GLY 65 H GLY 65 -6.686 9.042 -7.835 484 1HA GLY 65 1HA GLY 65 -9.210 9.115 -8.900 485 2HA GLY 65 2HA GLY 65 -8.184 8.650 -10.243 486 H SER 66 H SER 66 -6.294 6.975 -9.344 487 HA SER 66 HA SER 66 -6.768 5.277 -7.324 488 1HB SER 66 1HB SER 66 -8.905 4.570 -8.025 489 2HB SER 66 2HB SER 66 -8.480 4.616 -9.725 490 HG SER 66 HG SER 66 -8.448 2.487 -8.095 491 H PHE 67 H PHE 67 -4.526 5.004 -7.353 492 HA PHE 67 HA PHE 67 -2.816 4.878 -9.369 493 1HB PHE 67 1HB PHE 67 -3.134 3.587 -6.683 494 2HB PHE 67 2HB PHE 67 -1.972 2.769 -7.708 495 HD1 PHE 67 HD1 PHE 67 -0.159 4.296 -8.813 496 HD2 PHE 67 HD2 PHE 67 -2.449 5.408 -5.418 497 HE1 PHE 67 HE1 PHE 67 1.585 5.991 -8.192 498 HE2 PHE 67 HE2 PHE 67 -0.705 7.102 -4.797 499 HZ PHE 67 HZ PHE 67 1.290 7.374 -6.191 500 H TYR 68 H TYR 68 -3.561 1.663 -7.937 501 HA TYR 68 HA TYR 68 -4.667 0.577 -10.296 502 1HB TYR 68 1HB TYR 68 -2.533 -0.905 -10.659 503 2HB TYR 68 2HB TYR 68 -2.410 0.757 -11.200 504 HD1 TYR 68 HD1 TYR 68 -1.042 2.391 -9.958 505 HD2 TYR 68 HD2 TYR 68 -1.259 -1.706 -8.745 506 HE1 TYR 68 HE1 TYR 68 1.013 2.708 -8.494 507 HE2 TYR 68 HE2 TYR 68 0.795 -1.375 -7.285 508 HH TYR 68 HH TYR 68 2.427 -0.037 -6.755 509 H SER 69 H SER 69 -4.504 -1.988 -10.144 510 HA SER 69 HA SER 69 -4.682 -2.624 -7.301 511 1HB SER 69 1HB SER 69 -6.281 -4.502 -8.616 512 2HB SER 69 2HB SER 69 -6.853 -3.120 -7.702 513 HG SER 69 HG SER 69 -6.156 -2.977 -10.507 514 H VAL 70 H VAL 70 -4.146 -4.915 -6.748 515 HA VAL 70 HA VAL 70 -2.720 -6.363 -8.829 516 HB VAL 70 HB VAL 70 -0.795 -6.683 -7.263 517 1HG1 VAL 70 1HG1 VAL 70 -1.441 -4.001 -8.487 518 2HG1 VAL 70 2HG1 VAL 70 0.112 -4.288 -7.666 519 3HG1 VAL 70 3HG1 VAL 70 -0.344 -5.275 -9.075 520 1HG2 VAL 70 1HG2 VAL 70 -2.347 -5.622 -5.335 521 2HG2 VAL 70 2HG2 VAL 70 -0.569 -5.590 -5.280 522 3HG2 VAL 70 3HG2 VAL 70 -1.468 -4.158 -5.837 523 H THR 71 H THR 71 -2.921 -8.578 -8.605 524 HA THR 71 HA THR 71 -4.575 -9.434 -6.341 525 HB THR 71 HB THR 71 -4.038 -10.450 -9.164 526 HG1 THR 71 HG1 THR 71 -6.264 -9.660 -7.429 527 1HG2 THR 71 1HG2 THR 71 -4.172 -12.321 -7.265 528 2HG2 THR 71 2HG2 THR 71 -5.889 -11.854 -7.214 529 3HG2 THR 71 3HG2 THR 71 -5.181 -12.473 -8.724 530 H LEU 72 H LEU 72 -3.738 -10.504 -4.671 531 HA LEU 72 HA LEU 72 -1.027 -11.538 -5.009 532 1HB LEU 72 1HB LEU 72 -2.663 -10.740 -2.609 533 2HB LEU 72 2HB LEU 72 -1.175 -11.655 -2.465 534 HG LEU 72 HG LEU 72 -1.072 -9.114 -2.155 535 1HD1 LEU 72 1HD1 LEU 72 0.813 -10.896 -2.782 536 2HD1 LEU 72 2HD1 LEU 72 0.910 -9.880 -4.240 537 3HD1 LEU 72 3HD1 LEU 72 1.148 -9.155 -2.631 538 1HD2 LEU 72 1HD2 LEU 72 -2.438 -8.473 -4.069 539 2HD2 LEU 72 2HD2 LEU 72 -0.804 -7.776 -4.193 540 3HD2 LEU 72 3HD2 LEU 72 -1.246 -9.190 -5.180 541 H GLY 73 H GLY 73 -0.641 -13.594 -3.514 542 1HA GLY 73 1HA GLY 73 -2.924 -15.414 -3.579 543 2HA GLY 73 2HA GLY 73 -1.564 -15.809 -4.612 544 H THR 74 H THR 74 0.707 -15.598 -3.421 545 HA THR 74 HA THR 74 0.989 -17.561 -1.614 546 HB THR 74 HB THR 74 2.517 -14.925 -1.905 547 HG1 THR 74 HG1 THR 74 2.864 -16.127 -3.753 548 1HG2 THR 74 1HG2 THR 74 2.853 -16.901 0.129 549 2HG2 THR 74 2HG2 THR 74 4.087 -17.255 -1.104 550 3HG2 THR 74 3HG2 THR 74 4.024 -15.646 -0.345 551 HA PRO 75 HA PRO 75 -0.968 -16.205 1.989 552 1HB PRO 75 1HB PRO 75 -0.414 -18.376 3.555 553 2HB PRO 75 2HB PRO 75 -1.760 -18.321 2.435 554 1HG PRO 75 1HG PRO 75 0.815 -19.751 2.171 555 2HG PRO 75 2HG PRO 75 -0.682 -20.013 1.296 556 1HD PRO 75 1HD PRO 75 1.664 -18.678 0.324 557 2HD PRO 75 2HD PRO 75 0.129 -18.839 -0.506 558 H GLY 76 H GLY 76 -0.550 -15.021 3.812 559 1HA GLY 76 1HA GLY 76 1.307 -15.136 5.632 560 2HA GLY 76 2HA GLY 76 2.328 -14.678 4.283 561 H THR 77 H THR 77 2.475 -12.842 6.138 562 HA THR 77 HA THR 77 0.406 -10.830 5.577 563 HB THR 77 HB THR 77 2.498 -10.845 7.805 564 HG1 THR 77 HG1 THR 77 -0.179 -11.994 7.480 565 1HG2 THR 77 1HG2 THR 77 0.142 -9.200 7.064 566 2HG2 THR 77 2HG2 THR 77 0.058 -9.836 8.726 567 3HG2 THR 77 3HG2 THR 77 1.447 -8.843 8.222 568 H TYR 78 H TYR 78 0.826 -9.110 4.338 569 HA TYR 78 HA TYR 78 3.615 -8.755 3.520 570 1HB TYR 78 1HB TYR 78 0.820 -8.014 2.491 571 2HB TYR 78 2HB TYR 78 2.240 -7.256 1.799 572 HD1 TYR 78 HD1 TYR 78 1.378 -10.786 2.772 573 HD2 TYR 78 HD2 TYR 78 2.748 -8.124 -0.284 574 HE1 TYR 78 HE1 TYR 78 1.656 -12.748 1.178 575 HE2 TYR 78 HE2 TYR 78 3.021 -10.095 -1.868 576 HH TYR 78 HH TYR 78 1.771 -12.531 -1.940 577 H SER 79 H SER 79 4.707 -6.799 3.765 578 HA SER 79 HA SER 79 3.221 -4.801 5.287 579 1HB SER 79 1HB SER 79 5.653 -4.195 6.109 580 2HB SER 79 2HB SER 79 4.793 -5.533 6.846 581 HG SER 79 HG SER 79 7.124 -5.860 6.072 582 H PHE 80 H PHE 80 3.703 -2.545 4.799 583 HA PHE 80 HA PHE 80 5.542 -1.973 2.674 584 1HB PHE 80 1HB PHE 80 3.520 -0.861 1.400 585 2HB PHE 80 2HB PHE 80 3.685 -2.601 1.268 586 HD1 PHE 80 HD1 PHE 80 2.185 -4.087 2.565 587 HD2 PHE 80 HD2 PHE 80 1.651 0.122 2.523 588 HE1 PHE 80 HE1 PHE 80 -0.151 -4.375 3.438 589 HE2 PHE 80 HE2 PHE 80 -0.685 -0.165 3.396 590 HZ PHE 80 HZ PHE 80 -1.558 -2.410 3.843 591 H TYR 81 H TYR 81 5.028 0.539 1.991 592 HA TYR 81 HA TYR 81 3.976 2.095 4.148 593 1HB TYR 81 1HB TYR 81 6.303 3.175 4.492 594 2HB TYR 81 2HB TYR 81 6.179 1.537 5.102 595 HD1 TYR 81 HD1 TYR 81 7.322 3.506 2.140 596 HD2 TYR 81 HD2 TYR 81 7.672 -0.131 4.367 597 HE1 TYR 81 HE1 TYR 81 9.317 2.821 0.721 598 HE2 TYR 81 HE2 TYR 81 9.667 -0.803 2.940 599 HH TYR 81 HH TYR 81 11.281 0.099 1.569 600 H CYS 82 H CYS 82 4.748 4.557 3.703 601 HA CYS 82 HA CYS 82 4.703 4.893 0.793 602 1HB CYS 82 1HB CYS 82 2.501 5.381 1.458 603 2HB CYS 82 2HB CYS 82 3.023 6.247 2.891 604 H THR 83 H THR 83 6.901 5.423 0.552 605 HA THR 83 HA THR 83 8.674 6.537 2.132 606 HB THR 83 HB THR 83 8.064 6.662 -0.767 607 HG1 THR 83 HG1 THR 83 10.529 6.631 0.817 608 1HG2 THR 83 1HG2 THR 83 8.524 9.124 -0.270 609 2HG2 THR 83 2HG2 THR 83 10.080 8.626 0.436 610 3HG2 THR 83 3HG2 THR 83 9.760 8.353 -1.293 611 HA PRO 84 HA PRO 84 7.021 10.913 1.794 612 1HB PRO 84 1HB PRO 84 4.729 11.461 0.411 613 2HB PRO 84 2HB PRO 84 6.328 11.615 -0.287 614 1HG PRO 84 1HG PRO 84 4.304 9.509 -0.741 615 2HG PRO 84 2HG PRO 84 5.701 9.918 -1.716 616 1HD PRO 84 1HD PRO 84 5.450 7.690 0.073 617 2HD PRO 84 2HD PRO 84 6.886 8.166 -0.814 618 H HIS 85 H HIS 85 6.347 11.686 3.692 619 HA HIS 85 HA HIS 85 4.886 12.084 5.321 620 1HB HIS 85 1HB HIS 85 2.865 10.072 4.447 621 2HB HIS 85 2HB HIS 85 2.638 11.653 5.168 622 HD2 HIS 85 HD2 HIS 85 3.758 13.716 3.058 623 HE1 HIS 85 HE1 HIS 85 1.741 11.492 0.042 624 HE2 HIS 85 HE2 HIS 85 2.826 13.750 0.687 625 H ARG 86 H ARG 86 6.537 9.339 4.497 626 HA ARG 86 HA ARG 86 5.767 7.319 6.022 627 1HB ARG 86 1HB ARG 86 8.234 6.801 6.343 628 2HB ARG 86 2HB ARG 86 7.801 7.190 4.690 629 1HG ARG 86 1HG ARG 86 8.531 9.576 5.098 630 2HG ARG 86 2HG ARG 86 9.043 9.117 6.711 631 1HD ARG 86 1HD ARG 86 10.266 7.190 5.058 632 2HD ARG 86 2HD ARG 86 10.392 8.669 4.126 633 HE ARG 86 HE ARG 86 11.880 9.536 5.722 634 1HH1 ARG 86 1HH1 ARG 86 10.254 6.710 7.047 635 2HH1 ARG 86 2HH1 ARG 86 11.260 6.632 8.454 636 1HH2 ARG 86 1HH2 ARG 86 13.208 9.433 7.579 637 2HH2 ARG 86 2HH2 ARG 86 12.953 8.191 8.759 638 H GLY 87 H GLY 87 7.417 10.327 7.133 639 1HA GLY 87 1HA GLY 87 7.742 9.477 9.838 640 2HA GLY 87 2HA GLY 87 7.912 11.100 9.197 641 H ALA 88 H ALA 88 5.201 11.173 7.952 642 HA ALA 88 HA ALA 88 3.798 12.198 10.152 643 1HB ALA 88 1HB ALA 88 3.617 12.829 7.688 644 2HB ALA 88 2HB ALA 88 2.648 11.353 7.470 645 3HB ALA 88 3HB ALA 88 2.072 12.643 8.552 646 H GLY 89 H GLY 89 4.359 8.974 9.106 647 1HA GLY 89 1HA GLY 89 3.699 7.104 10.293 648 2HA GLY 89 2HA GLY 89 2.375 8.001 11.011 649 H MET 90 H MET 90 3.535 6.507 7.940 650 HA MET 90 HA MET 90 0.735 6.022 7.315 651 1HB MET 90 1HB MET 90 1.767 7.941 5.944 652 2HB MET 90 2HB MET 90 2.904 6.783 5.283 653 1HG MET 90 1HG MET 90 1.337 5.839 3.889 654 2HG MET 90 2HG MET 90 0.073 5.896 5.102 655 1HE MET 90 1HE MET 90 0.312 6.610 1.878 656 2HE MET 90 2HE MET 90 -1.309 6.555 2.609 657 3HE MET 90 3HE MET 90 -0.797 7.988 1.687 658 H VAL 91 H VAL 91 1.190 3.883 8.279 659 HA VAL 91 HA VAL 91 2.711 2.199 6.412 660 HB VAL 91 HB VAL 91 3.265 0.786 8.362 661 1HG1 VAL 91 1HG1 VAL 91 4.195 3.674 8.438 662 2HG1 VAL 91 2HG1 VAL 91 4.965 2.351 9.347 663 3HG1 VAL 91 3HG1 VAL 91 4.944 2.313 7.567 664 1HG2 VAL 91 1HG2 VAL 91 1.416 2.563 9.694 665 2HG2 VAL 91 2HG2 VAL 91 2.151 1.050 10.276 666 3HG2 VAL 91 3HG2 VAL 91 2.997 2.598 10.509 667 H GLY 92 H GLY 92 1.818 0.107 5.982 668 1HA GLY 92 1HA GLY 92 -0.813 -0.470 7.122 669 2HA GLY 92 2HA GLY 92 -0.725 -0.195 5.394 670 H THR 93 H THR 93 -1.535 -2.688 6.573 671 HA THR 93 HA THR 93 0.610 -4.393 5.525 672 HB THR 93 HB THR 93 -0.967 -5.228 7.974 673 HG1 THR 93 HG1 THR 93 -0.035 -3.435 8.899 674 1HG2 THR 93 1HG2 THR 93 1.873 -5.682 6.922 675 2HG2 THR 93 2HG2 THR 93 1.318 -6.225 8.524 676 3HG2 THR 93 3HG2 THR 93 0.577 -6.896 7.051 677 H ILE 94 H ILE 94 -0.162 -6.565 4.876 678 HA ILE 94 HA ILE 94 -3.031 -6.710 4.458 679 HB ILE 94 HB ILE 94 -0.999 -6.527 2.244 680 1HG1 ILE 94 1HG1 ILE 94 -3.653 -5.111 2.601 681 2HG1 ILE 94 2HG1 ILE 94 -2.124 -4.452 3.148 682 1HG2 ILE 94 1HG2 ILE 94 -2.463 -8.559 1.992 683 2HG2 ILE 94 2HG2 ILE 94 -3.859 -7.457 1.915 684 3HG2 ILE 94 3HG2 ILE 94 -2.581 -7.363 0.678 685 1HD1 ILE 94 1HD1 ILE 94 -2.509 -5.378 0.275 686 2HD1 ILE 94 2HD1 ILE 94 -2.937 -3.732 0.801 687 3HD1 ILE 94 3HD1 ILE 94 -1.253 -4.297 0.926 688 H THR 95 H THR 95 -3.762 -8.781 4.687 689 HA THR 95 HA THR 95 -1.681 -10.867 4.777 690 HB THR 95 HB THR 95 -4.307 -10.613 6.337 691 HG1 THR 95 HG1 THR 95 -1.484 -10.495 7.117 692 1HG2 THR 95 1HG2 THR 95 -1.932 -12.528 6.633 693 2HG2 THR 95 2HG2 THR 95 -3.340 -12.442 7.719 694 3HG2 THR 95 3HG2 THR 95 -3.543 -12.990 6.037 695 H VAL 96 H VAL 96 -2.106 -12.903 3.863 696 HA VAL 96 HA VAL 96 -4.500 -12.958 2.164 697 HB VAL 96 HB VAL 96 -1.618 -13.364 1.478 698 1HG1 VAL 96 1HG1 VAL 96 -3.837 -15.109 0.621 699 2HG1 VAL 96 2HG1 VAL 96 -2.886 -14.417 -0.715 700 3HG1 VAL 96 3HG1 VAL 96 -2.077 -15.368 0.554 701 1HG2 VAL 96 1HG2 VAL 96 -3.237 -11.320 0.962 702 2HG2 VAL 96 2HG2 VAL 96 -2.012 -11.861 -0.211 703 3HG2 VAL 96 3HG2 VAL 96 -3.712 -12.352 -0.408 704 H GLU 97 H GLU 97 -5.433 -14.158 4.006 705 HA GLU 97 HA GLU 97 -4.182 -16.616 4.701 706 1HB GLU 97 1HB GLU 97 -5.559 -15.210 6.285 707 2HB GLU 97 2HB GLU 97 -6.990 -15.620 5.359 708 1HG GLU 97 1HG GLU 97 -5.369 -17.984 6.126 709 2HG GLU 97 2HG GLU 97 -5.980 -17.086 7.502 Start of MODEL 14 1 H ALA 1 H ALA 1 -12.064 -9.441 0.099 2 HA ALA 1 HA ALA 1 -11.269 -11.058 -2.086 3 1HB ALA 1 1HB ALA 1 -14.213 -11.051 -1.311 4 2HB ALA 1 2HB ALA 1 -13.570 -11.627 -2.867 5 3HB ALA 1 3HB ALA 1 -13.130 -12.463 -1.358 6 H SER 2 H SER 2 -10.529 -9.364 -3.279 7 HA SER 2 HA SER 2 -10.522 -7.534 -4.448 8 1HB SER 2 1HB SER 2 -13.552 -7.428 -4.112 9 2HB SER 2 2HB SER 2 -12.617 -6.589 -5.334 10 HG SER 2 HG SER 2 -12.396 -8.410 -6.492 11 H VAL 3 H VAL 3 -9.391 -6.567 -2.565 12 HA VAL 3 HA VAL 3 -11.094 -4.651 -1.126 13 HB VAL 3 HB VAL 3 -9.254 -4.683 0.565 14 1HG1 VAL 3 1HG1 VAL 3 -11.431 -6.129 0.535 15 2HG1 VAL 3 2HG1 VAL 3 -10.313 -7.484 0.251 16 3HG1 VAL 3 3HG1 VAL 3 -10.150 -6.491 1.718 17 1HG2 VAL 3 1HG2 VAL 3 -7.452 -5.526 -0.878 18 2HG2 VAL 3 2HG2 VAL 3 -7.667 -6.554 0.560 19 3HG2 VAL 3 3HG2 VAL 3 -8.290 -7.090 -1.019 20 H GLN 4 H GLN 4 -9.573 -2.689 -0.347 21 HA GLN 4 HA GLN 4 -7.737 -2.008 -2.466 22 1HB GLN 4 1HB GLN 4 -8.879 0.306 -2.616 23 2HB GLN 4 2HB GLN 4 -9.669 -1.031 -3.427 24 1HG GLN 4 1HG GLN 4 -10.695 -1.106 -0.790 25 2HG GLN 4 2HG GLN 4 -10.623 0.601 -1.181 26 1HE2 GLN 4 2HE2 GLN 4 -12.973 0.339 -0.993 27 2HE2 GLN 4 1HE2 GLN 4 -13.892 -0.115 -2.390 28 H ILE 5 H ILE 5 -6.438 -0.002 -1.899 29 HA ILE 5 HA ILE 5 -6.403 0.403 1.009 30 HB ILE 5 HB ILE 5 -4.197 -0.316 -0.871 31 1HG1 ILE 5 1HG1 ILE 5 -5.345 -1.967 0.656 32 2HG1 ILE 5 2HG1 ILE 5 -3.600 -1.879 0.795 33 1HG2 ILE 5 1HG2 ILE 5 -4.051 1.746 1.241 34 2HG2 ILE 5 2HG2 ILE 5 -2.792 0.488 1.308 35 3HG2 ILE 5 3HG2 ILE 5 -3.004 1.458 -0.170 36 1HD1 ILE 5 1HD1 ILE 5 -5.552 -0.410 2.626 37 2HD1 ILE 5 2HD1 ILE 5 -4.728 -1.936 3.026 38 3HD1 ILE 5 3HD1 ILE 5 -3.781 -0.447 2.793 39 H LYS 6 H LYS 6 -6.830 2.474 1.528 40 HA LYS 6 HA LYS 6 -6.478 4.468 -0.571 41 1HB LYS 6 1HB LYS 6 -8.369 4.038 1.618 42 2HB LYS 6 2HB LYS 6 -7.747 5.675 1.590 43 1HG LYS 6 1HG LYS 6 -8.339 5.866 -0.832 44 2HG LYS 6 2HG LYS 6 -8.949 4.222 -0.815 45 1HD LYS 6 1HD LYS 6 -10.861 4.785 0.380 46 2HD LYS 6 2HD LYS 6 -10.063 6.063 1.275 47 1HE LYS 6 1HE LYS 6 -9.933 7.126 -1.245 48 2HE LYS 6 2HE LYS 6 -11.391 6.166 -1.409 49 1HZ LYS 6 1HZ LYS 6 -10.923 8.092 0.761 50 2HZ LYS 6 2HZ LYS 6 -11.801 8.402 -0.581 51 3HZ LYS 6 3HZ LYS 6 -12.306 7.269 0.482 52 H MET 7 H MET 7 -5.131 6.263 -0.353 53 HA MET 7 HA MET 7 -3.366 6.100 1.967 54 1HB MET 7 1HB MET 7 -2.879 7.150 -0.877 55 2HB MET 7 2HB MET 7 -1.697 7.252 0.413 56 1HG MET 7 1HG MET 7 -0.976 5.225 -0.382 57 2HG MET 7 2HG MET 7 -2.320 4.573 0.533 58 1HE MET 7 1HE MET 7 -0.490 4.447 -2.255 59 2HE MET 7 2HE MET 7 -1.494 3.806 -3.578 60 3HE MET 7 3HE MET 7 -1.283 5.563 -3.392 61 H GLY 8 H GLY 8 -4.289 7.559 3.412 62 1HA GLY 8 1HA GLY 8 -3.950 9.939 3.934 63 2HA GLY 8 2HA GLY 8 -4.687 10.307 2.388 64 H THR 9 H THR 9 -5.571 11.120 5.111 65 HA THR 9 HA THR 9 -8.210 9.807 5.100 66 HB THR 9 HB THR 9 -8.082 10.583 7.626 67 HG1 THR 9 HG1 THR 9 -5.279 10.279 6.834 68 1HG2 THR 9 1HG2 THR 9 -7.246 8.172 6.308 69 2HG2 THR 9 2HG2 THR 9 -6.006 8.553 7.527 70 3HG2 THR 9 3HG2 THR 9 -7.707 8.365 8.017 71 H ASP 10 H ASP 10 -10.044 11.152 5.667 72 HA ASP 10 HA ASP 10 -10.063 13.477 4.234 73 1HB ASP 10 1HB ASP 10 -11.972 11.951 5.335 74 2HB ASP 10 2HB ASP 10 -11.890 13.139 6.621 75 H LYS 11 H LYS 11 -8.798 12.776 7.398 76 HA LYS 11 HA LYS 11 -9.056 15.512 8.332 77 1HB LYS 11 1HB LYS 11 -9.244 13.195 9.666 78 2HB LYS 11 2HB LYS 11 -7.518 13.446 9.839 79 1HG LYS 11 1HG LYS 11 -8.608 15.991 10.354 80 2HG LYS 11 2HG LYS 11 -9.751 14.895 11.104 81 1HD LYS 11 1HD LYS 11 -8.203 14.096 12.651 82 2HD LYS 11 2HD LYS 11 -6.839 14.323 11.574 83 1HE LYS 11 1HE LYS 11 -7.689 16.940 11.942 84 2HE LYS 11 2HE LYS 11 -8.063 16.231 13.500 85 1HZ LYS 11 1HZ LYS 11 -5.451 15.961 12.185 86 2HZ LYS 11 2HZ LYS 11 -5.793 17.099 13.306 87 3HZ LYS 11 3HZ LYS 11 -5.828 15.517 13.710 88 H TYR 12 H TYR 12 -7.652 15.329 5.904 89 HA TYR 12 HA TYR 12 -5.644 15.612 4.936 90 1HB TYR 12 1HB TYR 12 -6.267 17.538 7.088 91 2HB TYR 12 2HB TYR 12 -4.530 17.415 6.898 92 HD1 TYR 12 HD1 TYR 12 -3.868 17.321 4.196 93 HD2 TYR 12 HD2 TYR 12 -7.226 19.308 5.952 94 HE1 TYR 12 HE1 TYR 12 -3.978 18.906 2.211 95 HE2 TYR 12 HE2 TYR 12 -7.324 20.887 3.961 96 HH TYR 12 HH TYR 12 -4.785 20.997 1.623 97 H ALA 13 H ALA 13 -5.627 13.312 6.753 98 HA ALA 13 HA ALA 13 -2.907 13.506 7.837 99 1HB ALA 13 1HB ALA 13 -5.397 12.379 8.790 100 2HB ALA 13 2HB ALA 13 -4.171 11.097 8.644 101 3HB ALA 13 3HB ALA 13 -3.840 12.537 9.636 102 HA PRO 14 HA PRO 14 -1.990 11.041 4.312 103 1HB PRO 14 1HB PRO 14 0.724 11.356 4.404 104 2HB PRO 14 2HB PRO 14 -0.343 12.474 3.576 105 1HG PRO 14 1HG PRO 14 1.047 12.810 6.164 106 2HG PRO 14 2HG PRO 14 0.339 14.036 5.131 107 1HD PRO 14 1HD PRO 14 -0.772 12.987 7.558 108 2HD PRO 14 2HD PRO 14 -1.531 14.127 6.465 109 H LEU 15 H LEU 15 -2.924 9.246 5.543 110 HA LEU 15 HA LEU 15 -0.708 7.489 6.283 111 1HB LEU 15 1HB LEU 15 -1.849 6.725 8.251 112 2HB LEU 15 2HB LEU 15 -1.554 8.449 8.349 113 HG LEU 15 HG LEU 15 -4.014 8.652 7.455 114 1HD1 LEU 15 1HD1 LEU 15 -3.975 5.838 8.569 115 2HD1 LEU 15 2HD1 LEU 15 -5.451 6.803 8.332 116 3HD1 LEU 15 3HD1 LEU 15 -4.444 6.359 6.933 117 1HD2 LEU 15 1HD2 LEU 15 -3.260 7.894 10.286 118 2HD2 LEU 15 2HD2 LEU 15 -3.368 9.525 9.581 119 3HD2 LEU 15 3HD2 LEU 15 -4.843 8.558 9.818 120 H TYR 16 H TYR 16 -1.397 5.147 6.272 121 HA TYR 16 HA TYR 16 -2.966 4.699 3.913 122 1HB TYR 16 1HB TYR 16 -1.227 3.240 5.919 123 2HB TYR 16 2HB TYR 16 -2.387 2.242 5.065 124 HD1 TYR 16 HD1 TYR 16 -2.373 2.408 2.452 125 HD2 TYR 16 HD2 TYR 16 0.851 3.710 4.945 126 HE1 TYR 16 HE1 TYR 16 -0.776 2.249 0.481 127 HE2 TYR 16 HE2 TYR 16 2.437 3.548 2.965 128 HH TYR 16 HH TYR 16 2.561 3.350 0.772 129 H GLU 17 H GLU 17 -4.956 3.620 3.734 130 HA GLU 17 HA GLU 17 -6.210 2.796 6.193 131 1HB GLU 17 1HB GLU 17 -6.726 5.313 5.595 132 2HB GLU 17 2HB GLU 17 -7.773 4.635 4.364 133 1HG GLU 17 1HG GLU 17 -9.115 3.468 6.002 134 2HG GLU 17 2HG GLU 17 -7.939 3.742 7.272 135 HA PRO 18 HA PRO 18 -7.504 1.708 6.805 136 1HB PRO 18 1HB PRO 18 -7.733 -0.941 7.433 137 2HB PRO 18 2HB PRO 18 -9.114 0.095 7.131 138 1HG PRO 18 1HG PRO 18 -7.933 -1.975 5.382 139 2HG PRO 18 2HG PRO 18 -9.524 -1.242 5.298 140 1HD PRO 18 1HD PRO 18 -7.273 -0.658 3.617 141 2HD PRO 18 2HD PRO 18 -8.826 0.155 3.610 142 H LYS 19 H LYS 19 -6.193 1.009 8.697 143 HA LYS 19 HA LYS 19 -3.505 1.166 7.968 144 1HB LYS 19 1HB LYS 19 -4.511 1.899 10.133 145 2HB LYS 19 2HB LYS 19 -4.692 0.218 10.592 146 1HG LYS 19 1HG LYS 19 -1.969 1.066 9.644 147 2HG LYS 19 2HG LYS 19 -2.484 1.681 11.202 148 1HD LYS 19 1HD LYS 19 -3.137 -1.155 10.999 149 2HD LYS 19 2HD LYS 19 -1.444 -0.909 10.621 150 1HE LYS 19 1HE LYS 19 -1.596 0.699 12.800 151 2HE LYS 19 2HE LYS 19 -2.912 -0.390 13.195 152 1HZ LYS 19 1HZ LYS 19 -0.753 -1.889 12.282 153 2HZ LYS 19 2HZ LYS 19 -0.208 -0.865 13.431 154 3HZ LYS 19 3HZ LYS 19 -1.433 -1.891 13.767 155 H ALA 20 H ALA 20 -5.672 -1.603 8.686 156 HA ALA 20 HA ALA 20 -3.485 -3.353 7.792 157 1HB ALA 20 1HB ALA 20 -5.493 -3.676 10.040 158 2HB ALA 20 2HB ALA 20 -4.664 -5.072 9.311 159 3HB ALA 20 3HB ALA 20 -3.719 -3.793 10.111 160 H LEU 21 H LEU 21 -4.127 -5.168 6.478 161 HA LEU 21 HA LEU 21 -6.909 -5.157 5.614 162 1HB LEU 21 1HB LEU 21 -6.101 -3.728 3.991 163 2HB LEU 21 2HB LEU 21 -4.533 -4.506 3.920 164 HG LEU 21 HG LEU 21 -5.512 -6.432 2.755 165 1HD1 LEU 21 1HD1 LEU 21 -7.926 -5.550 3.822 166 2HD1 LEU 21 2HD1 LEU 21 -8.073 -5.238 2.077 167 3HD1 LEU 21 3HD1 LEU 21 -7.690 -6.875 2.658 168 1HD2 LEU 21 1HD2 LEU 21 -5.236 -3.778 1.733 169 2HD2 LEU 21 2HD2 LEU 21 -4.968 -5.333 0.910 170 3HD2 LEU 21 3HD2 LEU 21 -6.581 -4.580 0.886 171 H SER 22 H SER 22 -7.666 -7.198 5.009 172 HA SER 22 HA SER 22 -5.649 -9.297 5.087 173 1HB SER 22 1HB SER 22 -6.976 -9.114 7.251 174 2HB SER 22 2HB SER 22 -8.422 -9.500 6.338 175 HG SER 22 HG SER 22 -7.446 -11.386 7.354 176 H ILE 23 H ILE 23 -6.035 -11.075 3.652 177 HA ILE 23 HA ILE 23 -8.510 -11.173 2.196 178 HB ILE 23 HB ILE 23 -7.557 -10.845 0.009 179 1HG1 ILE 23 1HG1 ILE 23 -4.974 -9.899 1.252 180 2HG1 ILE 23 2HG1 ILE 23 -5.204 -11.574 0.792 181 1HG2 ILE 23 1HG2 ILE 23 -8.527 -8.924 1.242 182 2HG2 ILE 23 2HG2 ILE 23 -6.890 -8.484 1.786 183 3HG2 ILE 23 3HG2 ILE 23 -7.291 -8.450 0.052 184 1HD1 ILE 23 1HD1 ILE 23 -6.146 -10.059 -1.420 185 2HD1 ILE 23 2HD1 ILE 23 -4.632 -9.280 -0.901 186 3HD1 ILE 23 3HD1 ILE 23 -4.643 -11.009 -1.326 187 H SER 24 H SER 24 -7.937 -12.921 0.214 188 HA SER 24 HA SER 24 -6.498 -15.035 1.620 189 1HB SER 24 1HB SER 24 -8.884 -15.439 -0.230 190 2HB SER 24 2HB SER 24 -8.104 -16.654 0.762 191 HG SER 24 HG SER 24 -8.792 -15.436 2.668 192 H ALA 25 H ALA 25 -5.755 -16.838 0.016 193 HA ALA 25 HA ALA 25 -4.162 -15.636 -1.955 194 1HB ALA 25 1HB ALA 25 -4.032 -17.921 -0.572 195 2HB ALA 25 2HB ALA 25 -4.812 -18.562 -2.037 196 3HB ALA 25 3HB ALA 25 -3.237 -17.740 -2.154 197 H GLY 26 H GLY 26 -5.089 -14.595 -3.673 198 1HA GLY 26 1HA GLY 26 -5.862 -15.274 -5.936 199 2HA GLY 26 2HA GLY 26 -7.202 -16.067 -5.132 200 H ASP 27 H ASP 27 -6.692 -13.506 -3.135 201 HA ASP 27 HA ASP 27 -8.851 -12.075 -4.318 202 1HB ASP 27 1HB ASP 27 -7.211 -11.782 -1.776 203 2HB ASP 27 2HB ASP 27 -8.354 -10.539 -2.244 204 H THR 28 H THR 28 -8.561 -9.464 -4.153 205 HA THR 28 HA THR 28 -5.905 -8.786 -5.233 206 HB THR 28 HB THR 28 -8.570 -7.608 -6.155 207 HG1 THR 28 HG1 THR 28 -8.704 -9.453 -7.381 208 1HG2 THR 28 1HG2 THR 28 -5.682 -7.493 -7.025 209 2HG2 THR 28 2HG2 THR 28 -6.922 -7.557 -8.300 210 3HG2 THR 28 3HG2 THR 28 -6.935 -6.232 -7.113 211 H VAL 29 H VAL 29 -5.184 -6.598 -4.873 212 HA VAL 29 HA VAL 29 -6.655 -5.247 -2.729 213 HB VAL 29 HB VAL 29 -3.689 -5.840 -2.787 214 1HG1 VAL 29 1HG1 VAL 29 -5.364 -4.223 -0.841 215 2HG1 VAL 29 2HG1 VAL 29 -3.697 -4.763 -0.526 216 3HG1 VAL 29 3HG1 VAL 29 -4.031 -3.640 -1.867 217 1HG2 VAL 29 1HG2 VAL 29 -5.079 -7.781 -2.153 218 2HG2 VAL 29 2HG2 VAL 29 -4.104 -7.182 -0.789 219 3HG2 VAL 29 3HG2 VAL 29 -5.842 -6.805 -0.875 220 H GLU 30 H GLU 30 -7.372 -3.467 -3.828 221 HA GLU 30 HA GLU 30 -5.710 -2.309 -5.832 222 1HB GLU 30 1HB GLU 30 -8.368 -2.472 -5.633 223 2HB GLU 30 2HB GLU 30 -8.189 -0.960 -4.766 224 1HG GLU 30 1HG GLU 30 -6.520 -0.747 -7.078 225 2HG GLU 30 2HG GLU 30 -8.028 -1.449 -7.631 226 H PHE 31 H PHE 31 -5.458 0.233 -5.775 227 HA PHE 31 HA PHE 31 -5.014 1.186 -3.067 228 1HB PHE 31 1HB PHE 31 -2.968 0.824 -5.324 229 2HB PHE 31 2HB PHE 31 -2.689 1.989 -4.047 230 HD1 PHE 31 HD1 PHE 31 -3.201 -1.617 -4.707 231 HD2 PHE 31 HD2 PHE 31 -1.852 1.311 -1.948 232 HE1 PHE 31 HE1 PHE 31 -2.213 -3.424 -3.273 233 HE2 PHE 31 HE2 PHE 31 -0.864 -0.496 -0.514 234 HZ PHE 31 HZ PHE 31 -1.056 -2.842 -1.194 235 H VAL 32 H VAL 32 -5.855 3.207 -2.921 236 HA VAL 32 HA VAL 32 -5.752 4.863 -5.342 237 HB VAL 32 HB VAL 32 -8.004 3.784 -4.831 238 1HG1 VAL 32 1HG1 VAL 32 -7.592 4.499 -2.275 239 2HG1 VAL 32 2HG1 VAL 32 -8.494 5.932 -2.823 240 3HG1 VAL 32 3HG1 VAL 32 -9.219 4.313 -2.975 241 1HG2 VAL 32 1HG2 VAL 32 -7.406 6.642 -5.381 242 2HG2 VAL 32 2HG2 VAL 32 -8.303 5.446 -6.347 243 3HG2 VAL 32 3HG2 VAL 32 -9.095 6.253 -4.973 244 H MET 33 H MET 33 -5.362 7.090 -4.992 245 HA MET 33 HA MET 33 -4.180 7.584 -2.410 246 1HB MET 33 1HB MET 33 -4.014 8.707 -5.191 247 2HB MET 33 2HB MET 33 -3.797 9.883 -3.910 248 1HG MET 33 1HG MET 33 -1.960 8.561 -2.933 249 2HG MET 33 2HG MET 33 -2.239 7.259 -4.072 250 1HE MET 33 1HE MET 33 -2.147 11.111 -4.172 251 2HE MET 33 2HE MET 33 -1.297 11.449 -5.699 252 3HE MET 33 3HE MET 33 -2.910 10.698 -5.725 253 H ASN 34 H ASN 34 -5.591 8.261 -0.837 254 HA ASN 34 HA ASN 34 -8.032 9.362 -1.288 255 1HB ASN 34 1HB ASN 34 -6.225 8.972 0.982 256 2HB ASN 34 2HB ASN 34 -7.057 10.504 1.151 257 1HD2 ASN 34 2HD2 ASN 34 -9.040 10.532 1.916 258 2HD2 ASN 34 1HD2 ASN 34 -10.098 9.174 2.107 259 H LYS 35 H LYS 35 -5.159 11.157 0.078 260 HA LYS 35 HA LYS 35 -5.294 13.237 -1.812 261 1HB LYS 35 1HB LYS 35 -6.351 14.977 -0.677 262 2HB LYS 35 2HB LYS 35 -7.419 13.612 -0.424 263 1HG LYS 35 1HG LYS 35 -5.822 13.288 1.752 264 2HG LYS 35 2HG LYS 35 -5.630 15.017 1.540 265 1HD LYS 35 1HD LYS 35 -8.352 14.800 1.242 266 2HD LYS 35 2HD LYS 35 -8.057 13.459 2.331 267 1HE LYS 35 1HE LYS 35 -7.263 14.843 4.059 268 2HE LYS 35 2HE LYS 35 -6.743 16.104 2.958 269 1HZ LYS 35 1HZ LYS 35 -9.578 15.456 3.245 270 2HZ LYS 35 2HZ LYS 35 -8.841 16.477 4.285 271 3HZ LYS 35 3HZ LYS 35 -8.901 16.836 2.692 272 H VAL 36 H VAL 36 -4.241 15.329 -0.155 273 HA VAL 36 HA VAL 36 -2.215 15.989 0.472 274 HB VAL 36 HB VAL 36 -3.248 15.180 2.565 275 1HG1 VAL 36 1HG1 VAL 36 -1.794 12.627 1.843 276 2HG1 VAL 36 2HG1 VAL 36 -2.260 13.016 3.517 277 3HG1 VAL 36 3HG1 VAL 36 -3.510 12.853 2.260 278 1HG2 VAL 36 1HG2 VAL 36 -0.290 15.229 2.122 279 2HG2 VAL 36 2HG2 VAL 36 -1.326 16.320 3.075 280 3HG2 VAL 36 3HG2 VAL 36 -0.893 14.717 3.716 281 H GLY 37 H GLY 37 -2.150 14.474 -1.903 282 1HA GLY 37 1HA GLY 37 -0.017 12.517 -1.656 283 2HA GLY 37 2HA GLY 37 -0.891 12.979 -3.104 284 HA PRO 38 HA PRO 38 0.393 12.340 -4.308 285 1HB PRO 38 1HB PRO 38 2.692 11.519 -5.535 286 2HB PRO 38 2HB PRO 38 1.550 12.621 -6.279 287 1HG PRO 38 1HG PRO 38 4.189 13.212 -5.084 288 2HG PRO 38 2HG PRO 38 3.240 14.188 -6.187 289 1HD PRO 38 1HD PRO 38 3.534 14.588 -3.362 290 2HD PRO 38 2HD PRO 38 2.494 15.491 -4.446 291 H HIS 39 H HIS 39 1.272 9.923 -4.495 292 HA HIS 39 HA HIS 39 2.591 9.392 -1.945 293 1HB HIS 39 1HB HIS 39 0.060 8.059 -2.945 294 2HB HIS 39 2HB HIS 39 1.014 7.488 -1.590 295 HD2 HIS 39 HD2 HIS 39 -1.153 10.696 -2.485 296 HE1 HIS 39 HE1 HIS 39 -0.896 10.329 1.746 297 HE2 HIS 39 HE2 HIS 39 -1.885 11.657 -0.242 298 H ASN 40 H ASN 40 2.658 6.602 -2.089 299 HA ASN 40 HA ASN 40 3.681 6.015 -4.724 300 1HB ASN 40 1HB ASN 40 5.458 6.781 -2.751 301 2HB ASN 40 2HB ASN 40 5.398 5.053 -2.463 302 1HD2 ASN 40 2HD2 ASN 40 7.720 5.530 -3.111 303 2HD2 ASN 40 1HD2 ASN 40 8.136 5.316 -4.778 304 H VAL 41 H VAL 41 4.916 3.487 -3.870 305 HA VAL 41 HA VAL 41 2.980 2.085 -2.278 306 HB VAL 41 HB VAL 41 3.197 1.648 -5.258 307 1HG1 VAL 41 1HG1 VAL 41 2.450 -0.232 -3.073 308 2HG1 VAL 41 2HG1 VAL 41 1.403 -0.215 -4.513 309 3HG1 VAL 41 3HG1 VAL 41 3.141 -0.553 -4.682 310 1HG2 VAL 41 1HG2 VAL 41 0.902 2.344 -3.402 311 2HG2 VAL 41 2HG2 VAL 41 1.571 3.321 -4.731 312 3HG2 VAL 41 3HG2 VAL 41 0.683 1.820 -5.090 313 H ILE 42 H ILE 42 5.473 2.453 -1.484 314 HA ILE 42 HA ILE 42 7.131 0.322 -2.559 315 HB ILE 42 HB ILE 42 7.800 2.289 -0.377 316 1HG1 ILE 42 1HG1 ILE 42 7.044 3.560 -2.317 317 2HG1 ILE 42 2HG1 ILE 42 8.773 3.733 -2.083 318 1HG2 ILE 42 1HG2 ILE 42 9.171 0.080 -1.544 319 2HG2 ILE 42 2HG2 ILE 42 10.002 1.575 -2.037 320 3HG2 ILE 42 3HG2 ILE 42 9.743 1.228 -0.310 321 1HD1 ILE 42 1HD1 ILE 42 9.156 1.937 -3.811 322 2HD1 ILE 42 2HD1 ILE 42 7.400 1.898 -4.099 323 3HD1 ILE 42 3HD1 ILE 42 8.328 3.373 -4.460 324 H PHE 43 H PHE 43 7.256 -1.667 -1.660 325 HA PHE 43 HA PHE 43 5.757 -2.105 0.773 326 1HB PHE 43 1HB PHE 43 7.237 -3.828 -1.295 327 2HB PHE 43 2HB PHE 43 6.476 -4.539 0.115 328 HD1 PHE 43 HD1 PHE 43 5.875 -2.856 -3.086 329 HD2 PHE 43 HD2 PHE 43 4.072 -4.713 0.277 330 HE1 PHE 43 HE1 PHE 43 3.694 -2.978 -4.323 331 HE2 PHE 43 HE2 PHE 43 1.892 -4.836 -0.960 332 HZ PHE 43 HZ PHE 43 1.728 -3.966 -3.245 333 H ASP 44 H ASP 44 6.801 -3.856 2.321 334 HA ASP 44 HA ASP 44 9.372 -2.738 3.026 335 1HB ASP 44 1HB ASP 44 7.173 -3.278 4.550 336 2HB ASP 44 2HB ASP 44 8.017 -4.802 4.736 337 H LYS 45 H LYS 45 7.682 -5.976 2.940 338 HA LYS 45 HA LYS 45 9.444 -7.301 1.353 339 1HB LYS 45 1HB LYS 45 10.662 -6.739 3.908 340 2HB LYS 45 2HB LYS 45 10.457 -8.469 3.726 341 1HG LYS 45 1HG LYS 45 11.414 -8.070 1.290 342 2HG LYS 45 2HG LYS 45 11.997 -6.554 1.947 343 1HD LYS 45 1HD LYS 45 12.560 -8.865 3.712 344 2HD LYS 45 2HD LYS 45 13.300 -9.019 2.131 345 1HE LYS 45 1HE LYS 45 14.857 -7.432 2.612 346 2HE LYS 45 2HE LYS 45 13.630 -6.290 3.125 347 1HZ LYS 45 1HZ LYS 45 13.564 -7.776 5.202 348 2HZ LYS 45 2HZ LYS 45 15.043 -8.272 4.720 349 3HZ LYS 45 3HZ LYS 45 14.775 -6.693 5.038 350 H VAL 46 H VAL 46 8.770 -9.455 1.051 351 HA VAL 46 HA VAL 46 6.614 -10.293 2.864 352 HB VAL 46 HB VAL 46 5.363 -11.084 1.027 353 1HG1 VAL 46 1HG1 VAL 46 6.209 -8.322 1.160 354 2HG1 VAL 46 2HG1 VAL 46 5.796 -8.763 -0.514 355 3HG1 VAL 46 3HG1 VAL 46 4.605 -8.999 0.787 356 1HG2 VAL 46 1HG2 VAL 46 7.944 -10.942 -0.397 357 2HG2 VAL 46 2HG2 VAL 46 6.561 -12.040 -0.625 358 3HG2 VAL 46 3HG2 VAL 46 6.538 -10.416 -1.355 359 HA PRO 47 HA PRO 47 8.761 -14.030 3.150 360 1HB PRO 47 1HB PRO 47 6.768 -15.855 3.566 361 2HB PRO 47 2HB PRO 47 7.383 -14.804 4.826 362 1HG PRO 47 1HG PRO 47 4.836 -14.617 3.337 363 2HG PRO 47 2HG PRO 47 5.279 -13.861 4.856 364 1HD PRO 47 1HD PRO 47 5.153 -12.600 2.282 365 2HD PRO 47 2HD PRO 47 5.707 -11.875 3.778 366 H ALA 48 H ALA 48 9.321 -16.152 2.259 367 HA ALA 48 HA ALA 48 9.596 -16.120 -0.400 368 1HB ALA 48 1HB ALA 48 10.505 -17.780 1.290 369 2HB ALA 48 2HB ALA 48 8.951 -18.640 1.173 370 3HB ALA 48 3HB ALA 48 9.993 -18.489 -0.261 371 H GLY 49 H GLY 49 8.252 -16.005 -2.124 372 1HA GLY 49 1HA GLY 49 6.323 -17.526 -2.992 373 2HA GLY 49 2HA GLY 49 5.434 -16.716 -1.718 374 H GLU 50 H GLU 50 5.645 -14.197 -1.709 375 HA GLU 50 HA GLU 50 5.054 -13.383 -4.394 376 1HB GLU 50 1HB GLU 50 4.134 -12.662 -1.825 377 2HB GLU 50 2HB GLU 50 5.013 -11.252 -2.379 378 1HG GLU 50 1HG GLU 50 3.608 -11.932 -4.665 379 2HG GLU 50 2HG GLU 50 2.484 -12.435 -3.417 380 H SER 51 H SER 51 5.819 -10.763 -4.603 381 HA SER 51 HA SER 51 8.686 -10.824 -4.100 382 1HB SER 51 1HB SER 51 7.417 -9.785 -6.669 383 2HB SER 51 2HB SER 51 9.130 -9.923 -6.326 384 HG SER 51 HG SER 51 8.458 -12.354 -5.961 385 H ALA 52 H ALA 52 8.055 -9.456 -2.220 386 HA ALA 52 HA ALA 52 6.628 -7.083 -2.486 387 1HB ALA 52 1HB ALA 52 7.973 -8.549 -0.473 388 2HB ALA 52 2HB ALA 52 8.696 -6.923 -0.459 389 3HB ALA 52 3HB ALA 52 6.938 -7.118 -0.260 390 HA PRO 53 HA PRO 53 10.836 -5.061 -3.246 391 1HB PRO 53 1HB PRO 53 13.053 -6.601 -3.671 392 2HB PRO 53 2HB PRO 53 12.638 -5.930 -2.106 393 1HG PRO 53 1HG PRO 53 12.377 -8.717 -3.057 394 2HG PRO 53 2HG PRO 53 12.376 -8.114 -1.412 395 1HD PRO 53 1HD PRO 53 10.093 -8.955 -2.932 396 2HD PRO 53 2HD PRO 53 10.082 -8.244 -1.331 397 H ALA 54 H ALA 54 8.923 -5.630 -5.023 398 HA ALA 54 HA ALA 54 10.410 -5.345 -7.447 399 1HB ALA 54 1HB ALA 54 10.227 -7.895 -6.908 400 2HB ALA 54 2HB ALA 54 8.518 -7.700 -7.366 401 3HB ALA 54 3HB ALA 54 9.802 -7.330 -8.541 402 H LEU 55 H LEU 55 7.249 -6.015 -5.826 403 HA LEU 55 HA LEU 55 5.722 -4.792 -7.864 404 1HB LEU 55 1HB LEU 55 5.240 -5.748 -5.073 405 2HB LEU 55 2HB LEU 55 4.043 -4.722 -5.838 406 HG LEU 55 HG LEU 55 5.045 -7.204 -7.222 407 1HD1 LEU 55 1HD1 LEU 55 4.272 -7.736 -4.870 408 2HD1 LEU 55 2HD1 LEU 55 2.657 -7.180 -5.370 409 3HD1 LEU 55 3HD1 LEU 55 3.412 -8.568 -6.188 410 1HD2 LEU 55 1HD2 LEU 55 3.466 -5.209 -8.130 411 2HD2 LEU 55 2HD2 LEU 55 3.356 -6.897 -8.683 412 3HD2 LEU 55 3HD2 LEU 55 2.236 -6.294 -7.438 413 H SER 56 H SER 56 7.673 -3.605 -5.207 414 HA SER 56 HA SER 56 6.424 -1.300 -4.556 415 1HB SER 56 1HB SER 56 9.004 -0.465 -4.487 416 2HB SER 56 2HB SER 56 8.315 -1.539 -3.285 417 HG SER 56 HG SER 56 9.325 -3.294 -4.189 418 H ASN 57 H ASN 57 5.607 0.294 -5.862 419 HA ASN 57 HA ASN 57 6.853 0.677 -8.431 420 1HB ASN 57 1HB ASN 57 4.212 0.666 -7.642 421 2HB ASN 57 2HB ASN 57 4.535 2.386 -7.584 422 1HD2 ASN 57 2HD2 ASN 57 2.960 0.554 -9.397 423 2HD2 ASN 57 1HD2 ASN 57 3.440 0.970 -11.009 424 H THR 58 H THR 58 8.636 2.076 -8.309 425 HA THR 58 HA THR 58 8.553 4.283 -6.409 426 HB THR 58 HB THR 58 10.565 2.809 -6.570 427 HG1 THR 58 HG1 THR 58 10.531 5.293 -6.292 428 1HG2 THR 58 1HG2 THR 58 10.500 3.794 -9.457 429 2HG2 THR 58 2HG2 THR 58 12.025 3.311 -8.677 430 3HG2 THR 58 3HG2 THR 58 10.711 2.126 -8.871 431 H LYS 59 H LYS 59 6.552 4.588 -8.290 432 HA LYS 59 HA LYS 59 7.628 6.873 -9.768 433 1HB LYS 59 1HB LYS 59 7.490 5.102 -11.401 434 2HB LYS 59 2HB LYS 59 5.865 4.684 -10.899 435 1HG LYS 59 1HG LYS 59 5.456 7.314 -11.444 436 2HG LYS 59 2HG LYS 59 6.810 7.031 -12.521 437 1HD LYS 59 1HD LYS 59 5.319 4.820 -13.103 438 2HD LYS 59 2HD LYS 59 4.031 5.907 -12.622 439 1HE LYS 59 1HE LYS 59 6.025 7.181 -14.412 440 2HE LYS 59 2HE LYS 59 5.208 5.816 -15.149 441 1HZ LYS 59 1HZ LYS 59 3.162 7.031 -14.057 442 2HZ LYS 59 2HZ LYS 59 4.116 8.337 -14.281 443 3HZ LYS 59 3HZ LYS 59 3.698 7.402 -15.554 444 H LEU 60 H LEU 60 6.797 7.905 -7.731 445 HA LEU 60 HA LEU 60 4.301 7.824 -6.760 446 1HB LEU 60 1HB LEU 60 4.656 9.961 -5.889 447 2HB LEU 60 2HB LEU 60 6.240 9.222 -6.013 448 HG LEU 60 HG LEU 60 6.288 10.507 -8.340 449 1HD1 LEU 60 1HD1 LEU 60 4.232 12.010 -6.716 450 2HD1 LEU 60 2HD1 LEU 60 5.206 12.780 -7.992 451 3HD1 LEU 60 3HD1 LEU 60 4.119 11.429 -8.395 452 1HD2 LEU 60 1HD2 LEU 60 7.106 11.186 -5.603 453 2HD2 LEU 60 2HD2 LEU 60 8.033 11.201 -7.123 454 3HD2 LEU 60 3HD2 LEU 60 6.998 12.586 -6.696 455 H ALA 61 H ALA 61 2.240 8.275 -7.397 456 HA ALA 61 HA ALA 61 1.976 9.528 -10.043 457 1HB ALA 61 1HB ALA 61 1.318 7.109 -9.851 458 2HB ALA 61 2HB ALA 61 0.088 7.585 -8.655 459 3HB ALA 61 3HB ALA 61 -0.022 8.179 -10.329 460 H ILE 62 H ILE 62 1.243 11.586 -9.948 461 HA ILE 62 HA ILE 62 0.006 12.521 -7.532 462 HB ILE 62 HB ILE 62 1.680 13.821 -8.779 463 1HG1 ILE 62 1HG1 ILE 62 0.317 15.984 -8.824 464 2HG1 ILE 62 2HG1 ILE 62 -1.074 15.008 -8.393 465 1HG2 ILE 62 1HG2 ILE 62 1.089 13.190 -11.053 466 2HG2 ILE 62 2HG2 ILE 62 -0.471 14.035 -10.904 467 3HG2 ILE 62 3HG2 ILE 62 1.050 14.960 -10.863 468 1HD1 ILE 62 1HD1 ILE 62 0.169 14.152 -6.384 469 2HD1 ILE 62 2HD1 ILE 62 1.525 15.224 -6.806 470 3HD1 ILE 62 3HD1 ILE 62 -0.050 15.918 -6.356 471 H ALA 63 H ALA 63 -0.938 12.037 -10.995 472 HA ALA 63 HA ALA 63 -3.447 13.012 -10.986 473 1HB ALA 63 1HB ALA 63 -2.003 10.814 -12.362 474 2HB ALA 63 2HB ALA 63 -3.779 10.709 -12.424 475 3HB ALA 63 3HB ALA 63 -2.951 12.161 -13.037 476 HA PRO 64 HA PRO 64 -5.126 10.557 -7.711 477 1HB PRO 64 1HB PRO 64 -7.139 12.279 -7.040 478 2HB PRO 64 2HB PRO 64 -5.535 12.359 -6.338 479 1HG PRO 64 1HG PRO 64 -6.756 14.118 -8.377 480 2HG PRO 64 2HG PRO 64 -5.355 14.415 -7.368 481 1HD PRO 64 1HD PRO 64 -5.348 13.694 -10.144 482 2HD PRO 64 2HD PRO 64 -3.948 13.879 -9.106 483 H GLY 65 H GLY 65 -6.439 8.839 -7.842 484 1HA GLY 65 1HA GLY 65 -9.016 8.957 -8.874 485 2HA GLY 65 2HA GLY 65 -7.962 8.531 -10.209 486 H SER 66 H SER 66 -6.027 6.900 -9.183 487 HA SER 66 HA SER 66 -6.551 5.141 -7.256 488 1HB SER 66 1HB SER 66 -7.555 3.171 -8.653 489 2HB SER 66 2HB SER 66 -8.642 4.384 -8.005 490 HG SER 66 HG SER 66 -7.533 4.695 -10.642 491 H PHE 67 H PHE 67 -4.316 4.862 -7.208 492 HA PHE 67 HA PHE 67 -2.532 4.816 -9.163 493 1HB PHE 67 1HB PHE 67 -2.930 3.521 -6.512 494 2HB PHE 67 2HB PHE 67 -1.812 2.612 -7.511 495 HD1 PHE 67 HD1 PHE 67 0.056 4.096 -8.680 496 HD2 PHE 67 HD2 PHE 67 -2.084 5.212 -5.190 497 HE1 PHE 67 HE1 PHE 67 1.901 5.679 -8.056 498 HE2 PHE 67 HE2 PHE 67 -0.239 6.795 -4.565 499 HZ PHE 67 HZ PHE 67 1.731 7.010 -6.006 500 H TYR 68 H TYR 68 -3.655 1.611 -7.883 501 HA TYR 68 HA TYR 68 -4.558 0.588 -10.296 502 1HB TYR 68 1HB TYR 68 -2.424 -0.885 -10.678 503 2HB TYR 68 2HB TYR 68 -2.286 0.795 -11.155 504 HD1 TYR 68 HD1 TYR 68 -1.754 -1.313 -8.088 505 HD2 TYR 68 HD2 TYR 68 -0.366 1.925 -10.516 506 HE1 TYR 68 HE1 TYR 68 0.279 -1.047 -6.584 507 HE2 TYR 68 HE2 TYR 68 1.662 2.179 -9.004 508 HH TYR 68 HH TYR 68 2.498 -0.185 -6.697 509 H SER 69 H SER 69 -4.392 -1.985 -10.237 510 HA SER 69 HA SER 69 -4.616 -2.729 -7.425 511 1HB SER 69 1HB SER 69 -6.237 -4.544 -8.712 512 2HB SER 69 2HB SER 69 -6.806 -3.090 -7.920 513 HG SER 69 HG SER 69 -7.432 -3.521 -10.278 514 H VAL 70 H VAL 70 -4.136 -5.070 -6.978 515 HA VAL 70 HA VAL 70 -2.792 -6.513 -9.083 516 HB VAL 70 HB VAL 70 -0.752 -6.786 -7.606 517 1HG1 VAL 70 1HG1 VAL 70 -1.053 -5.296 -9.718 518 2HG1 VAL 70 2HG1 VAL 70 -1.012 -3.940 -8.567 519 3HG1 VAL 70 3HG1 VAL 70 0.375 -5.050 -8.683 520 1HG2 VAL 70 1HG2 VAL 70 -2.288 -5.112 -5.880 521 2HG2 VAL 70 2HG2 VAL 70 -0.664 -5.791 -5.615 522 3HG2 VAL 70 3HG2 VAL 70 -0.848 -4.198 -6.387 523 H THR 71 H THR 71 -2.951 -8.721 -8.764 524 HA THR 71 HA THR 71 -4.494 -9.507 -6.416 525 HB THR 71 HB THR 71 -3.863 -10.700 -9.149 526 HG1 THR 71 HG1 THR 71 -5.649 -9.164 -8.787 527 1HG2 THR 71 1HG2 THR 71 -4.356 -12.190 -6.710 528 2HG2 THR 71 2HG2 THR 71 -5.824 -12.244 -7.714 529 3HG2 THR 71 3HG2 THR 71 -4.272 -12.810 -8.377 530 H LEU 72 H LEU 72 -3.862 -11.033 -4.901 531 HA LEU 72 HA LEU 72 -1.007 -11.714 -5.039 532 1HB LEU 72 1HB LEU 72 -2.705 -11.029 -2.637 533 2HB LEU 72 2HB LEU 72 -1.078 -11.673 -2.550 534 HG LEU 72 HG LEU 72 -1.926 -9.000 -3.689 535 1HD1 LEU 72 1HD1 LEU 72 -1.612 -9.561 -1.111 536 2HD1 LEU 72 2HD1 LEU 72 0.100 -9.306 -1.522 537 3HD1 LEU 72 3HD1 LEU 72 -1.087 -8.013 -1.815 538 1HD2 LEU 72 1HD2 LEU 72 0.588 -10.552 -4.047 539 2HD2 LEU 72 2HD2 LEU 72 -0.208 -9.379 -5.124 540 3HD2 LEU 72 3HD2 LEU 72 0.739 -8.808 -3.728 541 H GLY 73 H GLY 73 -0.576 -13.695 -3.457 542 1HA GLY 73 1HA GLY 73 -2.777 -15.597 -3.426 543 2HA GLY 73 2HA GLY 73 -1.457 -15.977 -4.515 544 H THR 74 H THR 74 0.837 -15.211 -3.212 545 HA THR 74 HA THR 74 1.386 -17.268 -1.510 546 HB THR 74 HB THR 74 2.545 -14.553 -2.113 547 HG1 THR 74 HG1 THR 74 3.486 -16.125 -3.365 548 1HG2 THR 74 1HG2 THR 74 3.314 -16.330 0.243 549 2HG2 THR 74 2HG2 THR 74 4.527 -15.336 -0.599 550 3HG2 THR 74 3HG2 THR 74 3.146 -14.559 0.213 551 HA PRO 75 HA PRO 75 -0.786 -16.238 2.090 552 1HB PRO 75 1HB PRO 75 -0.128 -18.455 3.545 553 2HB PRO 75 2HB PRO 75 -1.456 -18.419 2.401 554 1HG PRO 75 1HG PRO 75 1.206 -19.674 2.114 555 2HG PRO 75 2HG PRO 75 -0.256 -19.976 1.195 556 1HD PRO 75 1HD PRO 75 2.020 -18.451 0.346 557 2HD PRO 75 2HD PRO 75 0.512 -18.656 -0.524 558 H GLY 76 H GLY 76 -0.469 -15.113 3.963 559 1HA GLY 76 1HA GLY 76 1.276 -15.164 5.849 560 2HA GLY 76 2HA GLY 76 2.386 -14.721 4.567 561 H THR 77 H THR 77 2.470 -12.850 6.354 562 HA THR 77 HA THR 77 0.427 -10.846 5.680 563 HB THR 77 HB THR 77 0.938 -11.694 8.124 564 HG1 THR 77 HG1 THR 77 0.662 -9.361 8.729 565 1HG2 THR 77 1HG2 THR 77 3.469 -11.348 7.888 566 2HG2 THR 77 2HG2 THR 77 3.144 -9.602 7.760 567 3HG2 THR 77 3HG2 THR 77 2.730 -10.479 9.253 568 H TYR 78 H TYR 78 0.917 -9.194 4.383 569 HA TYR 78 HA TYR 78 3.737 -8.855 3.701 570 1HB TYR 78 1HB TYR 78 1.050 -7.852 2.572 571 2HB TYR 78 2HB TYR 78 2.596 -7.484 1.834 572 HD1 TYR 78 HD1 TYR 78 3.847 -10.276 2.298 573 HD2 TYR 78 HD2 TYR 78 0.077 -9.013 0.720 574 HE1 TYR 78 HE1 TYR 78 3.698 -12.412 0.928 575 HE2 TYR 78 HE2 TYR 78 -0.060 -11.154 -0.646 576 HH TYR 78 HH TYR 78 1.691 -12.784 -1.615 577 H SER 79 H SER 79 4.840 -6.894 3.933 578 HA SER 79 HA SER 79 3.347 -4.882 5.429 579 1HB SER 79 1HB SER 79 6.337 -5.447 5.635 580 2HB SER 79 2HB SER 79 5.413 -4.334 6.625 581 HG SER 79 HG SER 79 4.166 -6.211 7.399 582 H PHE 80 H PHE 80 3.882 -2.625 4.961 583 HA PHE 80 HA PHE 80 5.774 -2.028 2.920 584 1HB PHE 80 1HB PHE 80 3.853 -1.060 1.439 585 2HB PHE 80 2HB PHE 80 4.020 -2.805 1.429 586 HD1 PHE 80 HD1 PHE 80 2.385 -4.218 2.581 587 HD2 PHE 80 HD2 PHE 80 1.939 0.000 2.466 588 HE1 PHE 80 HE1 PHE 80 -0.012 -4.452 3.288 589 HE2 PHE 80 HE2 PHE 80 -0.458 -0.233 3.173 590 HZ PHE 80 HZ PHE 80 -1.405 -2.456 3.576 591 H TYR 81 H TYR 81 5.136 0.449 2.125 592 HA TYR 81 HA TYR 81 3.902 1.981 4.203 593 1HB TYR 81 1HB TYR 81 6.177 3.226 4.542 594 2HB TYR 81 2HB TYR 81 6.066 1.642 5.283 595 HD1 TYR 81 HD1 TYR 81 7.348 3.428 2.271 596 HD2 TYR 81 HD2 TYR 81 7.588 -0.079 4.710 597 HE1 TYR 81 HE1 TYR 81 9.426 2.684 1.010 598 HE2 TYR 81 HE2 TYR 81 9.665 -0.811 3.441 599 HH TYR 81 HH TYR 81 10.835 -0.478 1.563 600 H CYS 82 H CYS 82 4.749 4.489 3.718 601 HA CYS 82 HA CYS 82 4.661 4.745 0.803 602 1HB CYS 82 1HB CYS 82 2.458 5.233 1.428 603 2HB CYS 82 2HB CYS 82 2.949 6.105 2.867 604 H THR 83 H THR 83 6.871 5.268 0.580 605 HA THR 83 HA THR 83 8.626 6.450 2.111 606 HB THR 83 HB THR 83 7.989 6.551 -0.792 607 HG1 THR 83 HG1 THR 83 9.508 5.179 0.642 608 1HG2 THR 83 1HG2 THR 83 9.516 8.763 0.594 609 2HG2 THR 83 2HG2 THR 83 10.189 8.094 -0.912 610 3HG2 THR 83 3HG2 THR 83 8.567 8.826 -0.911 611 HA PRO 84 HA PRO 84 6.917 10.799 1.703 612 1HB PRO 84 1HB PRO 84 4.611 11.293 0.322 613 2HB PRO 84 2HB PRO 84 6.205 11.455 -0.386 614 1HG PRO 84 1HG PRO 84 4.206 9.316 -0.792 615 2HG PRO 84 2HG PRO 84 5.592 9.724 -1.781 616 1HD PRO 84 1HD PRO 84 5.378 7.527 0.049 617 2HD PRO 84 2HD PRO 84 6.802 8.004 -0.854 618 H HIS 85 H HIS 85 6.274 11.556 3.615 619 HA HIS 85 HA HIS 85 4.778 11.992 5.217 620 1HB HIS 85 1HB HIS 85 2.859 9.858 4.357 621 2HB HIS 85 2HB HIS 85 2.544 11.392 5.144 622 HD2 HIS 85 HD2 HIS 85 3.543 13.593 3.093 623 HE1 HIS 85 HE1 HIS 85 1.561 11.390 0.037 624 HE2 HIS 85 HE2 HIS 85 2.561 13.671 0.743 625 H ARG 86 H ARG 86 6.446 9.205 4.424 626 HA ARG 86 HA ARG 86 5.790 7.254 6.060 627 1HB ARG 86 1HB ARG 86 8.212 6.715 6.255 628 2HB ARG 86 2HB ARG 86 7.825 7.257 4.634 629 1HG ARG 86 1HG ARG 86 8.576 9.591 5.293 630 2HG ARG 86 2HG ARG 86 9.073 8.953 6.848 631 1HD ARG 86 1HD ARG 86 10.471 7.219 5.432 632 2HD ARG 86 2HD ARG 86 10.235 8.342 4.107 633 HE ARG 86 HE ARG 86 11.641 9.911 5.182 634 1HH1 ARG 86 1HH1 ARG 86 10.938 7.218 7.334 635 2HH1 ARG 86 2HH1 ARG 86 12.143 7.665 8.495 636 1HH2 ARG 86 1HH2 ARG 86 13.233 10.500 6.712 637 2HH2 ARG 86 2HH2 ARG 86 13.458 9.543 8.139 638 H GLY 87 H GLY 87 7.361 10.353 7.014 639 1HA GLY 87 1HA GLY 87 7.792 9.624 9.737 640 2HA GLY 87 2HA GLY 87 7.872 11.227 9.033 641 H ALA 88 H ALA 88 5.192 11.331 7.900 642 HA ALA 88 HA ALA 88 3.794 12.284 10.112 643 1HB ALA 88 1HB ALA 88 3.020 11.550 7.271 644 2HB ALA 88 2HB ALA 88 1.854 12.242 8.424 645 3HB ALA 88 3HB ALA 88 3.300 13.168 7.960 646 H GLY 89 H GLY 89 4.329 9.058 8.963 647 1HA GLY 89 1HA GLY 89 3.764 7.183 10.217 648 2HA GLY 89 2HA GLY 89 2.435 8.054 10.957 649 H MET 90 H MET 90 3.558 6.419 7.969 650 HA MET 90 HA MET 90 0.759 5.945 7.356 651 1HB MET 90 1HB MET 90 1.751 7.846 5.932 652 2HB MET 90 2HB MET 90 2.894 6.688 5.282 653 1HG MET 90 1HG MET 90 1.321 5.697 3.927 654 2HG MET 90 2HG MET 90 0.073 5.762 5.155 655 1HE MET 90 1HE MET 90 -1.376 6.083 3.145 656 2HE MET 90 2HE MET 90 -1.709 7.651 2.371 657 3HE MET 90 3HE MET 90 -0.340 6.657 1.817 658 H VAL 91 H VAL 91 1.146 3.813 8.284 659 HA VAL 91 HA VAL 91 2.782 2.130 6.513 660 HB VAL 91 HB VAL 91 3.150 0.694 8.498 661 1HG1 VAL 91 1HG1 VAL 91 4.157 3.522 8.363 662 2HG1 VAL 91 2HG1 VAL 91 4.650 2.476 9.715 663 3HG1 VAL 91 3HG1 VAL 91 5.009 1.994 8.040 664 1HG2 VAL 91 1HG2 VAL 91 1.115 2.219 9.651 665 2HG2 VAL 91 2HG2 VAL 91 2.146 1.020 10.470 666 3HG2 VAL 91 3HG2 VAL 91 2.592 2.743 10.494 667 H GLY 92 H GLY 92 1.912 0.061 5.970 668 1HA GLY 92 1HA GLY 92 -0.810 -0.512 6.884 669 2HA GLY 92 2HA GLY 92 -0.569 -0.226 5.171 670 H THR 93 H THR 93 -1.464 -2.725 6.389 671 HA THR 93 HA THR 93 0.714 -4.441 5.430 672 HB THR 93 HB THR 93 -0.951 -5.257 7.825 673 HG1 THR 93 HG1 THR 93 0.031 -3.018 8.051 674 1HG2 THR 93 1HG2 THR 93 1.976 -5.655 7.010 675 2HG2 THR 93 2HG2 THR 93 1.218 -6.327 8.473 676 3HG2 THR 93 3HG2 THR 93 0.691 -6.877 6.864 677 H ILE 94 H ILE 94 -0.028 -6.610 4.757 678 HA ILE 94 HA ILE 94 -2.884 -6.729 4.207 679 HB ILE 94 HB ILE 94 -0.714 -6.681 2.123 680 1HG1 ILE 94 1HG1 ILE 94 -3.359 -5.230 2.099 681 2HG1 ILE 94 2HG1 ILE 94 -1.975 -4.579 2.954 682 1HG2 ILE 94 1HG2 ILE 94 -2.200 -8.692 1.855 683 2HG2 ILE 94 2HG2 ILE 94 -3.567 -7.570 1.653 684 3HG2 ILE 94 3HG2 ILE 94 -2.217 -7.545 0.493 685 1HD1 ILE 94 1HD1 ILE 94 -1.793 -5.458 0.045 686 2HD1 ILE 94 2HD1 ILE 94 -2.275 -3.811 0.516 687 3HD1 ILE 94 3HD1 ILE 94 -0.662 -4.424 0.951 688 H THR 95 H THR 95 -3.679 -8.767 4.492 689 HA THR 95 HA THR 95 -1.662 -10.897 4.787 690 HB THR 95 HB THR 95 -4.374 -10.530 6.168 691 HG1 THR 95 HG1 THR 95 -2.960 -9.886 7.907 692 1HG2 THR 95 1HG2 THR 95 -2.820 -12.872 5.859 693 2HG2 THR 95 2HG2 THR 95 -2.327 -12.221 7.442 694 3HG2 THR 95 3HG2 THR 95 -4.041 -12.586 7.122 695 H VAL 96 H VAL 96 -2.053 -12.937 3.896 696 HA VAL 96 HA VAL 96 -4.364 -13.027 2.087 697 HB VAL 96 HB VAL 96 -1.457 -13.499 1.553 698 1HG1 VAL 96 1HG1 VAL 96 -3.663 -15.216 0.642 699 2HG1 VAL 96 2HG1 VAL 96 -2.682 -14.546 -0.683 700 3HG1 VAL 96 3HG1 VAL 96 -1.905 -15.490 0.610 701 1HG2 VAL 96 1HG2 VAL 96 -2.639 -11.365 0.934 702 2HG2 VAL 96 2HG2 VAL 96 -1.872 -12.215 -0.429 703 3HG2 VAL 96 3HG2 VAL 96 -3.633 -12.315 -0.196 704 H GLU 97 H GLU 97 -5.355 -14.147 3.973 705 HA GLU 97 HA GLU 97 -4.194 -16.532 4.892 706 1HB GLU 97 1HB GLU 97 -6.109 -14.908 5.866 707 2HB GLU 97 2HB GLU 97 -7.161 -16.072 5.087 708 1HG GLU 97 1HG GLU 97 -5.264 -17.683 6.398 709 2HG GLU 97 2HG GLU 97 -5.528 -16.367 7.525 Start of MODEL 15 1 H ALA 1 H ALA 1 -15.663 -9.951 -0.548 2 HA ALA 1 HA ALA 1 -14.340 -10.399 -2.716 3 1HB ALA 1 1HB ALA 1 -17.006 -9.130 -2.264 4 2HB ALA 1 2HB ALA 1 -16.386 -9.118 -3.931 5 3HB ALA 1 3HB ALA 1 -16.590 -10.662 -3.070 6 H SER 2 H SER 2 -12.419 -9.353 -3.195 7 HA SER 2 HA SER 2 -11.094 -7.845 -4.016 8 1HB SER 2 1HB SER 2 -12.415 -7.535 -5.940 9 2HB SER 2 2HB SER 2 -13.738 -6.810 -5.047 10 HG SER 2 HG SER 2 -11.195 -5.478 -5.139 11 H VAL 3 H VAL 3 -9.916 -6.578 -2.632 12 HA VAL 3 HA VAL 3 -11.415 -4.628 -1.025 13 HB VAL 3 HB VAL 3 -9.658 -4.856 0.626 14 1HG1 VAL 3 1HG1 VAL 3 -11.613 -6.725 0.062 15 2HG1 VAL 3 2HG1 VAL 3 -10.152 -7.724 0.250 16 3HG1 VAL 3 3HG1 VAL 3 -10.660 -6.634 1.562 17 1HG2 VAL 3 1HG2 VAL 3 -8.396 -6.674 -1.429 18 2HG2 VAL 3 2HG2 VAL 3 -7.683 -5.289 -0.568 19 3HG2 VAL 3 3HG2 VAL 3 -8.004 -6.809 0.302 20 H GLN 4 H GLN 4 -9.835 -2.735 -0.313 21 HA GLN 4 HA GLN 4 -7.985 -2.096 -2.419 22 1HB GLN 4 1HB GLN 4 -9.141 0.256 -2.563 23 2HB GLN 4 2HB GLN 4 -9.797 -1.077 -3.494 24 1HG GLN 4 1HG GLN 4 -10.959 -1.112 -0.826 25 2HG GLN 4 2HG GLN 4 -11.129 0.495 -1.507 26 1HE2 GLN 4 2HE2 GLN 4 -12.312 0.832 -3.371 27 2HE2 GLN 4 1HE2 GLN 4 -13.427 -0.327 -4.015 28 H ILE 5 H ILE 5 -6.570 -0.244 -1.839 29 HA ILE 5 HA ILE 5 -6.658 0.291 1.049 30 HB ILE 5 HB ILE 5 -4.438 -0.582 -0.732 31 1HG1 ILE 5 1HG1 ILE 5 -5.452 -2.203 0.750 32 2HG1 ILE 5 2HG1 ILE 5 -3.811 -1.870 1.267 33 1HG2 ILE 5 1HG2 ILE 5 -4.111 1.332 1.589 34 2HG2 ILE 5 2HG2 ILE 5 -2.796 0.314 0.953 35 3HG2 ILE 5 3HG2 ILE 5 -3.561 1.535 -0.092 36 1HD1 ILE 5 1HD1 ILE 5 -5.438 0.041 2.615 37 2HD1 ILE 5 2HD1 ILE 5 -6.288 -1.518 2.741 38 3HD1 ILE 5 3HD1 ILE 5 -4.613 -1.369 3.323 39 H LYS 6 H LYS 6 -7.079 2.382 1.486 40 HA LYS 6 HA LYS 6 -6.664 4.312 -0.649 41 1HB LYS 6 1HB LYS 6 -8.463 4.037 1.666 42 2HB LYS 6 2HB LYS 6 -7.835 5.659 1.448 43 1HG LYS 6 1HG LYS 6 -8.615 5.711 -0.883 44 2HG LYS 6 2HG LYS 6 -9.093 4.028 -0.805 45 1HD LYS 6 1HD LYS 6 -10.989 4.469 0.477 46 2HD LYS 6 2HD LYS 6 -10.269 5.858 1.269 47 1HE LYS 6 1HE LYS 6 -11.125 7.296 -0.274 48 2HE LYS 6 2HE LYS 6 -10.515 6.339 -1.610 49 1HZ LYS 6 1HZ LYS 6 -12.471 4.802 -0.912 50 2HZ LYS 6 2HZ LYS 6 -13.086 6.179 -0.285 51 3HZ LYS 6 3HZ LYS 6 -12.731 6.095 -1.877 52 H MET 7 H MET 7 -5.561 6.368 -0.231 53 HA MET 7 HA MET 7 -3.649 6.131 1.958 54 1HB MET 7 1HB MET 7 -3.219 6.687 -1.000 55 2HB MET 7 2HB MET 7 -2.123 7.422 0.154 56 1HG MET 7 1HG MET 7 -1.035 5.385 -0.323 57 2HG MET 7 2HG MET 7 -1.895 4.997 1.154 58 1HE MET 7 1HE MET 7 -1.463 4.924 -2.380 59 2HE MET 7 2HE MET 7 -1.510 3.148 -2.488 60 3HE MET 7 3HE MET 7 -2.861 4.114 -3.125 61 H GLY 8 H GLY 8 -4.140 7.765 3.361 62 1HA GLY 8 1HA GLY 8 -3.943 10.070 3.840 63 2HA GLY 8 2HA GLY 8 -4.494 10.458 2.222 64 H THR 9 H THR 9 -5.463 10.908 5.225 65 HA THR 9 HA THR 9 -8.194 9.904 4.904 66 HB THR 9 HB THR 9 -8.258 10.829 7.356 67 HG1 THR 9 HG1 THR 9 -6.339 12.107 7.245 68 1HG2 THR 9 1HG2 THR 9 -6.897 8.426 6.280 69 2HG2 THR 9 2HG2 THR 9 -6.254 8.939 7.859 70 3HG2 THR 9 3HG2 THR 9 -7.985 8.569 7.681 71 H ASP 10 H ASP 10 -10.035 11.319 5.226 72 HA ASP 10 HA ASP 10 -9.754 13.621 3.682 73 1HB ASP 10 1HB ASP 10 -11.858 12.317 3.849 74 2HB ASP 10 2HB ASP 10 -11.995 12.714 5.550 75 H LYS 11 H LYS 11 -8.908 12.960 6.904 76 HA LYS 11 HA LYS 11 -9.632 15.576 7.933 77 1HB LYS 11 1HB LYS 11 -8.963 12.954 9.052 78 2HB LYS 11 2HB LYS 11 -8.121 14.261 9.859 79 1HG LYS 11 1HG LYS 11 -10.106 15.296 10.575 80 2HG LYS 11 2HG LYS 11 -11.057 14.629 9.264 81 1HD LYS 11 1HD LYS 11 -11.710 12.908 10.584 82 2HD LYS 11 2HD LYS 11 -10.043 12.409 10.788 83 1HE LYS 11 1HE LYS 11 -9.755 13.862 12.723 84 2HE LYS 11 2HE LYS 11 -11.289 14.656 12.433 85 1HZ LYS 11 1HZ LYS 11 -11.154 11.774 12.911 86 2HZ LYS 11 2HZ LYS 11 -11.223 12.836 14.149 87 3HZ LYS 11 3HZ LYS 11 -12.441 12.766 13.064 88 H TYR 12 H TYR 12 -7.719 15.184 5.631 89 HA TYR 12 HA TYR 12 -5.747 15.932 4.941 90 1HB TYR 12 1HB TYR 12 -5.846 17.621 7.510 91 2HB TYR 12 2HB TYR 12 -5.092 18.080 5.995 92 HD1 TYR 12 HD1 TYR 12 -6.447 18.852 4.093 93 HD2 TYR 12 HD2 TYR 12 -8.258 17.809 7.827 94 HE1 TYR 12 HE1 TYR 12 -8.590 20.030 3.392 95 HE2 TYR 12 HE2 TYR 12 -10.394 18.989 7.114 96 HH TYR 12 HH TYR 12 -11.179 19.650 4.143 97 H ALA 13 H ALA 13 -5.445 13.540 6.269 98 HA ALA 13 HA ALA 13 -2.863 13.969 7.578 99 1HB ALA 13 1HB ALA 13 -4.987 13.495 9.122 100 2HB ALA 13 2HB ALA 13 -4.686 11.818 8.610 101 3HB ALA 13 3HB ALA 13 -3.413 12.732 9.452 102 HA PRO 14 HA PRO 14 -1.962 10.951 4.557 103 1HB PRO 14 1HB PRO 14 0.744 10.866 4.932 104 2HB PRO 14 2HB PRO 14 -0.045 12.051 3.910 105 1HG PRO 14 1HG PRO 14 1.114 12.407 6.606 106 2HG PRO 14 2HG PRO 14 0.716 13.627 5.413 107 1HD PRO 14 1HD PRO 14 -0.785 12.977 7.770 108 2HD PRO 14 2HD PRO 14 -1.241 14.115 6.518 109 H LEU 15 H LEU 15 -2.742 8.964 4.882 110 HA LEU 15 HA LEU 15 -1.097 7.140 6.246 111 1HB LEU 15 1HB LEU 15 -2.542 6.597 8.130 112 2HB LEU 15 2HB LEU 15 -1.858 8.206 8.250 113 HG LEU 15 HG LEU 15 -4.438 8.351 6.963 114 1HD1 LEU 15 1HD1 LEU 15 -4.234 6.445 9.190 115 2HD1 LEU 15 2HD1 LEU 15 -5.463 7.712 9.420 116 3HD1 LEU 15 3HD1 LEU 15 -5.516 6.673 7.977 117 1HD2 LEU 15 1HD2 LEU 15 -3.188 9.462 9.473 118 2HD2 LEU 15 2HD2 LEU 15 -3.567 10.291 7.945 119 3HD2 LEU 15 3HD2 LEU 15 -4.882 9.789 9.035 120 H TYR 16 H TYR 16 -1.879 4.946 5.989 121 HA TYR 16 HA TYR 16 -3.611 4.731 3.706 122 1HB TYR 16 1HB TYR 16 -1.973 2.919 5.560 123 2HB TYR 16 2HB TYR 16 -3.031 2.200 4.363 124 HD1 TYR 16 HD1 TYR 16 -2.601 2.601 1.917 125 HD2 TYR 16 HD2 TYR 16 0.146 3.855 4.949 126 HE1 TYR 16 HE1 TYR 16 -0.766 2.823 0.172 127 HE2 TYR 16 HE2 TYR 16 1.972 4.072 3.193 128 HH TYR 16 HH TYR 16 2.494 3.894 1.110 129 H GLU 17 H GLU 17 -5.688 3.894 3.611 130 HA GLU 17 HA GLU 17 -6.796 3.026 6.159 131 1HB GLU 17 1HB GLU 17 -7.382 5.473 5.407 132 2HB GLU 17 2HB GLU 17 -8.420 4.703 4.224 133 1HG GLU 17 1HG GLU 17 -9.640 3.507 6.014 134 2HG GLU 17 2HG GLU 17 -8.548 4.149 7.226 135 HA PRO 18 HA PRO 18 -8.052 1.970 6.891 136 1HB PRO 18 1HB PRO 18 -8.211 -0.625 7.735 137 2HB PRO 18 2HB PRO 18 -9.620 0.360 7.391 138 1HG PRO 18 1HG PRO 18 -8.445 -1.823 5.779 139 2HG PRO 18 2HG PRO 18 -10.050 -1.128 5.681 140 1HD PRO 18 1HD PRO 18 -7.858 -0.641 3.898 141 2HD PRO 18 2HD PRO 18 -9.426 0.141 3.869 142 H LYS 19 H LYS 19 -6.789 0.803 8.854 143 HA LYS 19 HA LYS 19 -4.047 0.952 7.896 144 1HB LYS 19 1HB LYS 19 -3.440 1.385 10.150 145 2HB LYS 19 2HB LYS 19 -4.863 2.350 9.815 146 1HG LYS 19 1HG LYS 19 -6.191 1.159 11.274 147 2HG LYS 19 2HG LYS 19 -5.449 -0.376 10.866 148 1HD LYS 19 1HD LYS 19 -4.098 1.765 12.577 149 2HD LYS 19 2HD LYS 19 -4.986 0.406 13.236 150 1HE LYS 19 1HE LYS 19 -2.812 -0.175 11.223 151 2HE LYS 19 2HE LYS 19 -2.327 0.292 12.842 152 1HZ LYS 19 1HZ LYS 19 -4.409 -1.666 12.762 153 2HZ LYS 19 2HZ LYS 19 -2.996 -2.177 12.125 154 3HZ LYS 19 3HZ LYS 19 -3.047 -1.629 13.663 155 H ALA 20 H ALA 20 -5.860 -1.373 7.312 156 HA ALA 20 HA ALA 20 -4.043 -3.406 7.630 157 1HB ALA 20 1HB ALA 20 -5.235 -2.831 10.104 158 2HB ALA 20 2HB ALA 20 -6.114 -4.259 9.505 159 3HB ALA 20 3HB ALA 20 -4.342 -4.309 9.670 160 H LEU 21 H LEU 21 -4.668 -5.110 6.311 161 HA LEU 21 HA LEU 21 -7.498 -5.346 5.683 162 1HB LEU 21 1HB LEU 21 -6.957 -3.868 3.988 163 2HB LEU 21 2HB LEU 21 -5.350 -4.529 3.768 164 HG LEU 21 HG LEU 21 -6.500 -6.643 2.881 165 1HD1 LEU 21 1HD1 LEU 21 -8.759 -5.939 3.812 166 2HD1 LEU 21 2HD1 LEU 21 -8.854 -4.800 2.448 167 3HD1 LEU 21 3HD1 LEU 21 -8.736 -6.549 2.140 168 1HD2 LEU 21 1HD2 LEU 21 -5.398 -4.618 1.607 169 2HD2 LEU 21 2HD2 LEU 21 -6.284 -5.888 0.728 170 3HD2 LEU 21 3HD2 LEU 21 -7.070 -4.329 1.072 171 H SER 22 H SER 22 -8.070 -7.442 4.840 172 HA SER 22 HA SER 22 -5.881 -9.353 4.965 173 1HB SER 22 1HB SER 22 -7.276 -9.293 7.114 174 2HB SER 22 2HB SER 22 -8.634 -9.864 6.166 175 HG SER 22 HG SER 22 -6.445 -11.436 5.646 176 H ILE 23 H ILE 23 -6.161 -11.223 3.579 177 HA ILE 23 HA ILE 23 -8.582 -11.461 2.060 178 HB ILE 23 HB ILE 23 -7.505 -11.159 -0.123 179 1HG1 ILE 23 1HG1 ILE 23 -5.196 -9.844 1.322 180 2HG1 ILE 23 2HG1 ILE 23 -5.151 -11.520 0.812 181 1HG2 ILE 23 1HG2 ILE 23 -8.823 -9.361 1.068 182 2HG2 ILE 23 2HG2 ILE 23 -7.263 -8.631 1.519 183 3HG2 ILE 23 3HG2 ILE 23 -7.703 -8.799 -0.198 184 1HD1 ILE 23 1HD1 ILE 23 -6.061 -9.582 -1.271 185 2HD1 ILE 23 2HD1 ILE 23 -4.357 -9.446 -0.773 186 3HD1 ILE 23 3HD1 ILE 23 -4.976 -10.985 -1.418 187 H SER 24 H SER 24 -7.822 -13.171 0.082 188 HA SER 24 HA SER 24 -6.387 -15.221 1.584 189 1HB SER 24 1HB SER 24 -8.551 -15.698 -0.507 190 2HB SER 24 2HB SER 24 -7.809 -16.900 0.530 191 HG SER 24 HG SER 24 -10.009 -15.947 1.150 192 H ALA 25 H ALA 25 -5.504 -17.012 -0.039 193 HA ALA 25 HA ALA 25 -3.749 -15.672 -1.808 194 1HB ALA 25 1HB ALA 25 -4.379 -18.593 -1.245 195 2HB ALA 25 2HB ALA 25 -3.107 -18.069 -2.376 196 3HB ALA 25 3HB ALA 25 -2.998 -17.638 -0.653 197 H GLY 26 H GLY 26 -4.567 -14.691 -3.614 198 1HA GLY 26 1HA GLY 26 -5.082 -15.389 -5.934 199 2HA GLY 26 2HA GLY 26 -6.424 -16.297 -5.267 200 H ASP 27 H ASP 27 -6.311 -13.729 -3.213 201 HA ASP 27 HA ASP 27 -8.484 -12.480 -4.540 202 1HB ASP 27 1HB ASP 27 -7.005 -12.031 -1.925 203 2HB ASP 27 2HB ASP 27 -8.199 -10.870 -2.471 204 H THR 28 H THR 28 -8.415 -9.844 -4.388 205 HA THR 28 HA THR 28 -5.788 -8.978 -5.405 206 HB THR 28 HB THR 28 -8.535 -8.025 -6.358 207 HG1 THR 28 HG1 THR 28 -8.427 -10.086 -7.212 208 1HG2 THR 28 1HG2 THR 28 -5.789 -7.218 -6.891 209 2HG2 THR 28 2HG2 THR 28 -6.479 -7.960 -8.354 210 3HG2 THR 28 3HG2 THR 28 -7.288 -6.567 -7.597 211 H VAL 29 H VAL 29 -5.246 -6.725 -5.054 212 HA VAL 29 HA VAL 29 -6.833 -5.473 -2.941 213 HB VAL 29 HB VAL 29 -3.847 -5.951 -2.885 214 1HG1 VAL 29 1HG1 VAL 29 -5.344 -3.810 -1.776 215 2HG1 VAL 29 2HG1 VAL 29 -4.898 -4.887 -0.431 216 3HG1 VAL 29 3HG1 VAL 29 -3.636 -4.223 -1.495 217 1HG2 VAL 29 1HG2 VAL 29 -5.266 -7.905 -2.261 218 2HG2 VAL 29 2HG2 VAL 29 -4.263 -7.300 -0.921 219 3HG2 VAL 29 3HG2 VAL 29 -6.000 -6.918 -0.976 220 H GLU 30 H GLU 30 -7.549 -3.649 -3.931 221 HA GLU 30 HA GLU 30 -5.897 -2.438 -5.930 222 1HB GLU 30 1HB GLU 30 -8.569 -2.696 -5.751 223 2HB GLU 30 2HB GLU 30 -8.428 -1.150 -4.938 224 1HG GLU 30 1HG GLU 30 -6.740 -0.936 -7.211 225 2HG GLU 30 2HG GLU 30 -8.170 -1.767 -7.789 226 H PHE 31 H PHE 31 -5.718 0.101 -5.849 227 HA PHE 31 HA PHE 31 -5.401 1.060 -3.127 228 1HB PHE 31 1HB PHE 31 -3.263 0.704 -5.290 229 2HB PHE 31 2HB PHE 31 -3.065 1.941 -4.065 230 HD1 PHE 31 HD1 PHE 31 -3.439 -1.709 -4.558 231 HD2 PHE 31 HD2 PHE 31 -2.281 1.396 -1.908 232 HE1 PHE 31 HE1 PHE 31 -2.446 -3.408 -3.001 233 HE2 PHE 31 HE2 PHE 31 -1.288 -0.304 -0.350 234 HZ PHE 31 HZ PHE 31 -1.382 -2.686 -0.916 235 H VAL 32 H VAL 32 -6.063 3.161 -2.957 236 HA VAL 32 HA VAL 32 -6.045 4.757 -5.416 237 HB VAL 32 HB VAL 32 -8.289 3.743 -4.940 238 1HG1 VAL 32 1HG1 VAL 32 -7.746 4.541 -2.309 239 2HG1 VAL 32 2HG1 VAL 32 -9.025 5.646 -2.869 240 3HG1 VAL 32 3HG1 VAL 32 -9.276 3.886 -2.940 241 1HG2 VAL 32 1HG2 VAL 32 -7.611 6.525 -5.468 242 2HG2 VAL 32 2HG2 VAL 32 -8.842 5.487 -6.227 243 3HG2 VAL 32 3HG2 VAL 32 -9.223 6.371 -4.729 244 H MET 33 H MET 33 -5.381 6.876 -5.142 245 HA MET 33 HA MET 33 -4.357 7.450 -2.510 246 1HB MET 33 1HB MET 33 -3.618 8.018 -5.247 247 2HB MET 33 2HB MET 33 -3.907 9.562 -4.470 248 1HG MET 33 1HG MET 33 -2.444 8.182 -2.528 249 2HG MET 33 2HG MET 33 -1.721 7.611 -4.019 250 1HE MET 33 1HE MET 33 -3.520 10.525 -2.763 251 2HE MET 33 2HE MET 33 -2.219 11.614 -2.224 252 3HE MET 33 3HE MET 33 -2.929 11.809 -3.844 253 H ASN 34 H ASN 34 -5.944 8.242 -1.147 254 HA ASN 34 HA ASN 34 -8.156 9.619 -1.944 255 1HB ASN 34 1HB ASN 34 -6.653 9.225 0.612 256 2HB ASN 34 2HB ASN 34 -7.686 10.640 0.594 257 1HD2 ASN 34 2HD2 ASN 34 -9.255 9.969 1.926 258 2HD2 ASN 34 1HD2 ASN 34 -10.330 8.643 1.628 259 H LYS 35 H LYS 35 -5.414 11.087 -0.040 260 HA LYS 35 HA LYS 35 -4.911 13.137 -1.897 261 1HB LYS 35 1HB LYS 35 -5.797 14.948 -0.158 262 2HB LYS 35 2HB LYS 35 -6.785 14.348 -1.476 263 1HG LYS 35 1HG LYS 35 -8.163 14.205 0.484 264 2HG LYS 35 2HG LYS 35 -7.675 12.559 0.129 265 1HD LYS 35 1HD LYS 35 -7.043 12.500 2.328 266 2HD LYS 35 2HD LYS 35 -5.607 13.334 1.768 267 1HE LYS 35 1HE LYS 35 -8.080 14.521 3.076 268 2HE LYS 35 2HE LYS 35 -6.411 14.658 3.590 269 1HZ LYS 35 1HZ LYS 35 -6.017 15.906 1.510 270 2HZ LYS 35 2HZ LYS 35 -7.625 15.905 1.228 271 3HZ LYS 35 3HZ LYS 35 -7.028 16.659 2.548 272 H VAL 36 H VAL 36 -3.871 15.113 -0.241 273 HA VAL 36 HA VAL 36 -2.162 15.602 1.074 274 HB VAL 36 HB VAL 36 -2.584 12.908 2.377 275 1HG1 VAL 36 1HG1 VAL 36 -1.201 15.457 3.245 276 2HG1 VAL 36 2HG1 VAL 36 -1.704 14.195 4.395 277 3HG1 VAL 36 3HG1 VAL 36 -0.523 13.816 3.117 278 1HG2 VAL 36 1HG2 VAL 36 -4.477 14.933 2.161 279 2HG2 VAL 36 2HG2 VAL 36 -4.456 13.630 3.372 280 3HG2 VAL 36 3HG2 VAL 36 -3.736 15.212 3.754 281 H GLY 37 H GLY 37 -2.099 13.741 -1.450 282 1HA GLY 37 1HA GLY 37 0.203 12.105 -1.177 283 2HA GLY 37 2HA GLY 37 -0.559 12.631 -2.665 284 HA PRO 38 HA PRO 38 0.771 12.201 -3.854 285 1HB PRO 38 1HB PRO 38 3.159 11.578 -5.028 286 2HB PRO 38 2HB PRO 38 2.024 12.722 -5.714 287 1HG PRO 38 1HG PRO 38 4.573 13.254 -4.315 288 2HG PRO 38 2HG PRO 38 3.652 14.316 -5.362 289 1HD PRO 38 1HD PRO 38 3.781 14.418 -2.499 290 2HD PRO 38 2HD PRO 38 2.772 15.404 -3.539 291 H HIS 39 H HIS 39 1.122 9.858 -3.949 292 HA HIS 39 HA HIS 39 2.768 9.029 -1.682 293 1HB HIS 39 1HB HIS 39 -0.015 7.976 -2.252 294 2HB HIS 39 2HB HIS 39 1.045 7.481 -0.947 295 HD2 HIS 39 HD2 HIS 39 -1.933 9.611 -1.233 296 HE1 HIS 39 HE1 HIS 39 0.431 11.646 1.662 297 HE2 HIS 39 HE2 HIS 39 -1.893 11.437 0.543 298 H ASN 40 H ASN 40 2.181 6.237 -1.924 299 HA ASN 40 HA ASN 40 2.298 5.349 -4.536 300 1HB ASN 40 1HB ASN 40 4.848 4.514 -4.190 301 2HB ASN 40 2HB ASN 40 4.482 6.035 -4.980 302 1HD2 ASN 40 2HD2 ASN 40 6.640 6.601 -4.305 303 2HD2 ASN 40 1HD2 ASN 40 6.925 7.247 -2.723 304 H VAL 41 H VAL 41 3.697 2.961 -4.324 305 HA VAL 41 HA VAL 41 2.880 1.842 -1.736 306 HB VAL 41 HB VAL 41 2.478 0.616 -4.473 307 1HG1 VAL 41 1HG1 VAL 41 2.866 -0.689 -2.060 308 2HG1 VAL 41 2HG1 VAL 41 1.093 -0.606 -2.199 309 3HG1 VAL 41 3HG1 VAL 41 2.053 -1.357 -3.496 310 1HG2 VAL 41 1HG2 VAL 41 0.860 2.454 -2.978 311 2HG2 VAL 41 2HG2 VAL 41 0.521 1.680 -4.545 312 3HG2 VAL 41 3HG2 VAL 41 0.038 0.876 -3.033 313 H ILE 42 H ILE 42 5.118 2.127 -1.083 314 HA ILE 42 HA ILE 42 6.983 0.418 -2.561 315 HB ILE 42 HB ILE 42 7.467 2.654 -0.590 316 1HG1 ILE 42 1HG1 ILE 42 6.621 3.331 -2.842 317 2HG1 ILE 42 2HG1 ILE 42 8.207 3.958 -2.441 318 1HG2 ILE 42 1HG2 ILE 42 9.231 0.549 -1.682 319 2HG2 ILE 42 2HG2 ILE 42 9.867 2.208 -1.763 320 3HG2 ILE 42 3HG2 ILE 42 9.372 1.521 -0.197 321 1HD1 ILE 42 1HD1 ILE 42 8.929 1.610 -3.653 322 2HD1 ILE 42 2HD1 ILE 42 7.420 1.975 -4.525 323 3HD1 ILE 42 3HD1 ILE 42 8.754 3.154 -4.521 324 H PHE 43 H PHE 43 5.798 -1.478 -1.628 325 HA PHE 43 HA PHE 43 5.349 -2.092 0.911 326 1HB PHE 43 1HB PHE 43 6.849 -3.710 -1.234 327 2HB PHE 43 2HB PHE 43 6.157 -4.448 0.197 328 HD1 PHE 43 HD1 PHE 43 3.612 -4.118 0.558 329 HD2 PHE 43 HD2 PHE 43 5.557 -3.475 -3.157 330 HE1 PHE 43 HE1 PHE 43 1.419 -4.376 -0.634 331 HE2 PHE 43 HE2 PHE 43 3.364 -3.733 -4.350 332 HZ PHE 43 HZ PHE 43 1.321 -4.180 -3.075 333 H ASP 44 H ASP 44 6.542 -3.295 2.612 334 HA ASP 44 HA ASP 44 9.148 -2.129 2.899 335 1HB ASP 44 1HB ASP 44 7.157 -2.484 4.680 336 2HB ASP 44 2HB ASP 44 7.950 -4.030 4.913 337 H LYS 45 H LYS 45 7.509 -5.373 2.927 338 HA LYS 45 HA LYS 45 9.323 -6.751 1.486 339 1HB LYS 45 1HB LYS 45 10.483 -6.076 4.040 340 2HB LYS 45 2HB LYS 45 10.298 -7.814 3.923 341 1HG LYS 45 1HG LYS 45 11.337 -7.597 1.545 342 2HG LYS 45 2HG LYS 45 11.787 -5.968 2.012 343 1HD LYS 45 1HD LYS 45 12.516 -8.388 3.715 344 2HD LYS 45 2HD LYS 45 13.541 -7.837 2.405 345 1HE LYS 45 1HE LYS 45 13.826 -5.643 3.459 346 2HE LYS 45 2HE LYS 45 12.625 -6.015 4.679 347 1HZ LYS 45 1HZ LYS 45 14.982 -7.711 4.372 348 2HZ LYS 45 2HZ LYS 45 15.064 -6.329 5.240 349 3HZ LYS 45 3HZ LYS 45 14.030 -7.512 5.684 350 H VAL 46 H VAL 46 8.839 -9.038 1.435 351 HA VAL 46 HA VAL 46 6.605 -9.786 3.184 352 HB VAL 46 HB VAL 46 5.542 -10.870 1.249 353 1HG1 VAL 46 1HG1 VAL 46 5.940 -7.920 1.442 354 2HG1 VAL 46 2HG1 VAL 46 5.119 -8.542 -0.010 355 3HG1 VAL 46 3HG1 VAL 46 4.459 -8.893 1.606 356 1HG2 VAL 46 1HG2 VAL 46 8.041 -10.165 -0.043 357 2HG2 VAL 46 2HG2 VAL 46 6.748 -11.259 -0.590 358 3HG2 VAL 46 3HG2 VAL 46 6.654 -9.519 -0.950 359 HA PRO 47 HA PRO 47 8.823 -13.464 3.645 360 1HB PRO 47 1HB PRO 47 6.863 -15.301 4.145 361 2HB PRO 47 2HB PRO 47 7.459 -14.183 5.354 362 1HG PRO 47 1HG PRO 47 4.910 -14.109 3.859 363 2HG PRO 47 2HG PRO 47 5.338 -13.276 5.340 364 1HD PRO 47 1HD PRO 47 5.193 -12.138 2.711 365 2HD PRO 47 2HD PRO 47 5.732 -11.335 4.173 366 H ALA 48 H ALA 48 9.417 -15.619 2.855 367 HA ALA 48 HA ALA 48 9.706 -15.709 0.204 368 1HB ALA 48 1HB ALA 48 9.855 -17.549 2.419 369 2HB ALA 48 2HB ALA 48 9.175 -18.392 1.006 370 3HB ALA 48 3HB ALA 48 10.753 -17.577 0.882 371 H GLY 49 H GLY 49 8.497 -16.055 -1.622 372 1HA GLY 49 1HA GLY 49 6.521 -17.540 -2.325 373 2HA GLY 49 2HA GLY 49 5.624 -16.545 -1.195 374 H GLU 50 H GLU 50 6.236 -14.000 -1.508 375 HA GLU 50 HA GLU 50 5.793 -13.561 -4.350 376 1HB GLU 50 1HB GLU 50 4.476 -12.595 -2.014 377 2HB GLU 50 2HB GLU 50 5.312 -11.215 -2.699 378 1HG GLU 50 1HG GLU 50 3.238 -12.996 -4.031 379 2HG GLU 50 2HG GLU 50 3.166 -11.263 -3.772 380 H SER 51 H SER 51 6.441 -10.862 -4.601 381 HA SER 51 HA SER 51 9.222 -10.786 -3.739 382 1HB SER 51 1HB SER 51 9.915 -9.960 -5.916 383 2HB SER 51 2HB SER 51 9.040 -11.459 -6.150 384 HG SER 51 HG SER 51 7.902 -10.298 -7.553 385 H ALA 52 H ALA 52 8.295 -9.402 -1.988 386 HA ALA 52 HA ALA 52 6.790 -7.148 -2.383 387 1HB ALA 52 1HB ALA 52 8.576 -8.266 -0.337 388 2HB ALA 52 2HB ALA 52 8.543 -6.486 -0.326 389 3HB ALA 52 3HB ALA 52 7.028 -7.406 -0.152 390 HA PRO 53 HA PRO 53 10.822 -4.824 -3.239 391 1HB PRO 53 1HB PRO 53 13.144 -6.205 -3.654 392 2HB PRO 53 2HB PRO 53 12.700 -5.522 -2.102 393 1HG PRO 53 1HG PRO 53 12.636 -8.347 -2.969 394 2HG PRO 53 2HG PRO 53 12.612 -7.698 -1.342 395 1HD PRO 53 1HD PRO 53 10.379 -8.751 -2.803 396 2HD PRO 53 2HD PRO 53 10.335 -7.996 -1.222 397 H ALA 54 H ALA 54 8.936 -5.582 -4.970 398 HA ALA 54 HA ALA 54 10.377 -5.277 -7.424 399 1HB ALA 54 1HB ALA 54 9.935 -7.901 -6.563 400 2HB ALA 54 2HB ALA 54 8.602 -7.590 -7.702 401 3HB ALA 54 3HB ALA 54 10.290 -7.382 -8.229 402 H LEU 55 H LEU 55 7.276 -6.074 -5.745 403 HA LEU 55 HA LEU 55 5.673 -4.973 -7.801 404 1HB LEU 55 1HB LEU 55 5.254 -5.951 -5.009 405 2HB LEU 55 2HB LEU 55 3.998 -4.991 -5.766 406 HG LEU 55 HG LEU 55 5.130 -7.418 -7.150 407 1HD1 LEU 55 1HD1 LEU 55 3.406 -7.341 -4.753 408 2HD1 LEU 55 2HD1 LEU 55 2.827 -8.372 -6.084 409 3HD1 LEU 55 3HD1 LEU 55 4.444 -8.639 -5.391 410 1HD2 LEU 55 1HD2 LEU 55 3.635 -5.642 -8.278 411 2HD2 LEU 55 2HD2 LEU 55 3.219 -7.362 -8.477 412 3HD2 LEU 55 3HD2 LEU 55 2.318 -6.356 -7.316 413 H SER 56 H SER 56 7.422 -3.689 -5.007 414 HA SER 56 HA SER 56 6.054 -1.445 -4.456 415 1HB SER 56 1HB SER 56 8.963 -2.178 -4.459 416 2HB SER 56 2HB SER 56 8.585 -0.477 -4.275 417 HG SER 56 HG SER 56 7.160 -2.381 -2.678 418 H ASN 57 H ASN 57 5.108 -0.096 -5.964 419 HA ASN 57 HA ASN 57 6.569 0.458 -8.378 420 1HB ASN 57 1HB ASN 57 3.774 0.436 -7.540 421 2HB ASN 57 2HB ASN 57 4.147 2.003 -8.231 422 1HD2 ASN 57 2HD2 ASN 57 5.336 2.006 -10.308 423 2HD2 ASN 57 1HD2 ASN 57 4.935 0.815 -11.501 424 H THR 58 H THR 58 8.118 2.094 -8.122 425 HA THR 58 HA THR 58 7.603 4.245 -6.239 426 HB THR 58 HB THR 58 9.818 3.061 -6.359 427 HG1 THR 58 HG1 THR 58 9.399 5.482 -5.938 428 1HG2 THR 58 1HG2 THR 58 9.479 3.497 -9.197 429 2HG2 THR 58 2HG2 THR 58 10.874 4.460 -8.653 430 3HG2 THR 58 3HG2 THR 58 10.841 2.704 -8.368 431 H LYS 59 H LYS 59 5.688 4.225 -8.282 432 HA LYS 59 HA LYS 59 6.581 6.506 -9.904 433 1HB LYS 59 1HB LYS 59 6.061 4.542 -11.256 434 2HB LYS 59 2HB LYS 59 4.484 4.400 -10.506 435 1HG LYS 59 1HG LYS 59 4.284 6.971 -11.323 436 2HG LYS 59 2HG LYS 59 5.468 6.435 -12.496 437 1HD LYS 59 1HD LYS 59 3.710 4.353 -12.667 438 2HD LYS 59 2HD LYS 59 2.600 5.618 -12.178 439 1HE LYS 59 1HE LYS 59 4.406 6.624 -14.243 440 2HE LYS 59 2HE LYS 59 3.640 5.145 -14.790 441 1HZ LYS 59 1HZ LYS 59 1.538 6.272 -13.863 442 2HZ LYS 59 2HZ LYS 59 2.392 7.656 -14.015 443 3HZ LYS 59 3HZ LYS 59 2.109 6.723 -15.325 444 H LEU 60 H LEU 60 6.120 7.518 -7.613 445 HA LEU 60 HA LEU 60 3.725 7.741 -6.447 446 1HB LEU 60 1HB LEU 60 4.430 9.768 -5.556 447 2HB LEU 60 2HB LEU 60 5.900 8.868 -5.870 448 HG LEU 60 HG LEU 60 5.920 10.218 -8.127 449 1HD1 LEU 60 1HD1 LEU 60 3.571 11.200 -7.240 450 2HD1 LEU 60 2HD1 LEU 60 4.685 12.427 -6.587 451 3HD1 LEU 60 3HD1 LEU 60 4.666 12.082 -8.332 452 1HD2 LEU 60 1HD2 LEU 60 7.212 10.446 -5.681 453 2HD2 LEU 60 2HD2 LEU 60 7.678 11.232 -7.209 454 3HD2 LEU 60 3HD2 LEU 60 6.664 12.104 -6.032 455 H ALA 61 H ALA 61 1.696 8.056 -7.167 456 HA ALA 61 HA ALA 61 1.375 9.495 -9.687 457 1HB ALA 61 1HB ALA 61 0.124 7.224 -8.382 458 2HB ALA 61 2HB ALA 61 -1.094 8.459 -8.780 459 3HB ALA 61 3HB ALA 61 -0.048 7.796 -10.059 460 H ILE 62 H ILE 62 1.394 11.685 -9.263 461 HA ILE 62 HA ILE 62 0.318 12.769 -6.891 462 HB ILE 62 HB ILE 62 2.113 13.803 -8.176 463 1HG1 ILE 62 1HG1 ILE 62 1.089 16.155 -8.255 464 2HG1 ILE 62 2HG1 ILE 62 -0.415 15.405 -7.756 465 1HG2 ILE 62 1HG2 ILE 62 0.889 13.171 -10.420 466 2HG2 ILE 62 2HG2 ILE 62 0.186 14.796 -10.240 467 3HG2 ILE 62 3HG2 ILE 62 1.952 14.594 -10.322 468 1HD1 ILE 62 1HD1 ILE 62 0.873 14.355 -5.803 469 2HD1 ILE 62 2HD1 ILE 62 2.237 15.405 -6.256 470 3HD1 ILE 62 3HD1 ILE 62 0.692 16.125 -5.741 471 H ALA 63 H ALA 63 -0.910 12.396 -10.267 472 HA ALA 63 HA ALA 63 -3.355 13.723 -9.698 473 1HB ALA 63 1HB ALA 63 -2.082 13.283 -11.955 474 2HB ALA 63 2HB ALA 63 -2.959 11.734 -11.934 475 3HB ALA 63 3HB ALA 63 -3.862 13.268 -11.934 476 HA PRO 64 HA PRO 64 -5.105 10.270 -7.653 477 1HB PRO 64 1HB PRO 64 -7.395 11.503 -6.814 478 2HB PRO 64 2HB PRO 64 -5.889 11.566 -5.920 479 1HG PRO 64 1HG PRO 64 -7.158 13.669 -7.566 480 2HG PRO 64 2HG PRO 64 -5.911 13.834 -6.345 481 1HD PRO 64 1HD PRO 64 -5.550 13.910 -9.189 482 2HD PRO 64 2HD PRO 64 -4.290 13.958 -7.972 483 H GLY 65 H GLY 65 -6.144 8.518 -8.389 484 1HA GLY 65 1HA GLY 65 -8.604 8.663 -9.704 485 2HA GLY 65 2HA GLY 65 -7.354 8.668 -10.932 486 H SER 66 H SER 66 -7.242 7.056 -7.700 487 HA SER 66 HA SER 66 -7.076 4.974 -7.107 488 1HB SER 66 1HB SER 66 -9.051 4.173 -7.988 489 2HB SER 66 2HB SER 66 -8.680 4.719 -9.611 490 HG SER 66 HG SER 66 -7.217 2.541 -8.423 491 H PHE 67 H PHE 67 -4.815 4.796 -6.975 492 HA PHE 67 HA PHE 67 -2.952 4.879 -8.857 493 1HB PHE 67 1HB PHE 67 -3.403 3.578 -6.253 494 2HB PHE 67 2HB PHE 67 -2.346 2.578 -7.229 495 HD1 PHE 67 HD1 PHE 67 -2.707 6.236 -6.522 496 HD2 PHE 67 HD2 PHE 67 -0.109 2.895 -6.832 497 HE1 PHE 67 HE1 PHE 67 -0.759 7.693 -5.907 498 HE2 PHE 67 HE2 PHE 67 1.839 4.352 -6.215 499 HZ PHE 67 HZ PHE 67 1.491 6.735 -5.759 500 H TYR 68 H TYR 68 -3.972 1.583 -7.749 501 HA TYR 68 HA TYR 68 -4.791 0.640 -10.229 502 1HB TYR 68 1HB TYR 68 -2.590 -0.745 -10.604 503 2HB TYR 68 2HB TYR 68 -2.511 0.955 -11.022 504 HD1 TYR 68 HD1 TYR 68 -2.048 -1.131 -7.926 505 HD2 TYR 68 HD2 TYR 68 -0.574 2.043 -10.385 506 HE1 TYR 68 HE1 TYR 68 -0.066 -0.832 -6.363 507 HE2 TYR 68 HE2 TYR 68 1.404 2.332 -8.813 508 HH TYR 68 HH TYR 68 2.162 0.023 -6.429 509 H SER 69 H SER 69 -4.530 -1.927 -10.276 510 HA SER 69 HA SER 69 -4.770 -2.809 -7.506 511 1HB SER 69 1HB SER 69 -6.327 -4.574 -9.041 512 2HB SER 69 2HB SER 69 -6.922 -3.329 -7.959 513 HG SER 69 HG SER 69 -7.121 -1.877 -9.684 514 H VAL 70 H VAL 70 -4.219 -5.142 -7.162 515 HA VAL 70 HA VAL 70 -2.888 -6.487 -9.332 516 HB VAL 70 HB VAL 70 -0.788 -6.731 -7.951 517 1HG1 VAL 70 1HG1 VAL 70 -1.232 -5.161 -9.985 518 2HG1 VAL 70 2HG1 VAL 70 -1.163 -3.857 -8.775 519 3HG1 VAL 70 3HG1 VAL 70 0.238 -4.930 -9.011 520 1HG2 VAL 70 1HG2 VAL 70 -2.231 -5.417 -6.000 521 2HG2 VAL 70 2HG2 VAL 70 -0.465 -5.639 -6.014 522 3HG2 VAL 70 3HG2 VAL 70 -1.178 -4.132 -6.638 523 H THR 71 H THR 71 -2.988 -8.704 -9.060 524 HA THR 71 HA THR 71 -4.432 -9.584 -6.687 525 HB THR 71 HB THR 71 -3.792 -10.761 -9.432 526 HG1 THR 71 HG1 THR 71 -6.238 -10.260 -7.896 527 1HG2 THR 71 1HG2 THR 71 -4.815 -12.083 -6.916 528 2HG2 THR 71 2HG2 THR 71 -5.642 -12.463 -8.446 529 3HG2 THR 71 3HG2 THR 71 -3.903 -12.793 -8.269 530 H LEU 72 H LEU 72 -3.752 -11.285 -5.321 531 HA LEU 72 HA LEU 72 -0.896 -11.910 -5.551 532 1HB LEU 72 1HB LEU 72 -2.400 -10.888 -3.153 533 2HB LEU 72 2HB LEU 72 -0.917 -11.809 -2.992 534 HG LEU 72 HG LEU 72 -1.175 -9.208 -4.527 535 1HD1 LEU 72 1HD1 LEU 72 -1.341 -9.407 -1.837 536 2HD1 LEU 72 2HD1 LEU 72 0.425 -9.316 -2.039 537 3HD1 LEU 72 3HD1 LEU 72 -0.613 -8.026 -2.692 538 1HD2 LEU 72 1HD2 LEU 72 0.780 -11.213 -4.697 539 2HD2 LEU 72 2HD2 LEU 72 0.864 -9.551 -5.329 540 3HD2 LEU 72 3HD2 LEU 72 1.501 -9.920 -3.708 541 H GLY 73 H GLY 73 -0.396 -13.826 -3.921 542 1HA GLY 73 1HA GLY 73 -2.657 -15.654 -3.661 543 2HA GLY 73 2HA GLY 73 -1.381 -16.131 -4.764 544 H THR 74 H THR 74 0.922 -15.103 -3.442 545 HA THR 74 HA THR 74 1.538 -17.146 -1.701 546 HB THR 74 HB THR 74 2.641 -14.409 -2.368 547 HG1 THR 74 HG1 THR 74 3.590 -15.930 -3.670 548 1HG2 THR 74 1HG2 THR 74 3.106 -14.755 0.108 549 2HG2 THR 74 2HG2 THR 74 3.851 -16.319 -0.301 550 3HG2 THR 74 3HG2 THR 74 4.574 -14.805 -0.897 551 HA PRO 75 HA PRO 75 -0.613 -16.007 1.876 552 1HB PRO 75 1HB PRO 75 0.111 -18.143 3.419 553 2HB PRO 75 2HB PRO 75 -1.229 -18.186 2.291 554 1HG PRO 75 1HG PRO 75 1.457 -19.394 2.027 555 2HG PRO 75 2HG PRO 75 -0.008 -19.768 1.140 556 1HD PRO 75 1HD PRO 75 2.224 -18.231 0.198 557 2HD PRO 75 2HD PRO 75 0.712 -18.508 -0.644 558 H GLY 76 H GLY 76 -0.303 -14.808 3.709 559 1HA GLY 76 1HA GLY 76 1.535 -14.786 5.546 560 2HA GLY 76 2HA GLY 76 2.535 -14.246 4.211 561 H THR 77 H THR 77 2.532 -12.407 6.062 562 HA THR 77 HA THR 77 0.346 -10.538 5.432 563 HB THR 77 HB THR 77 0.873 -11.423 7.861 564 HG1 THR 77 HG1 THR 77 0.807 -8.628 6.974 565 1HG2 THR 77 1HG2 THR 77 3.356 -10.923 7.755 566 2HG2 THR 77 2HG2 THR 77 2.959 -9.202 7.540 567 3HG2 THR 77 3HG2 THR 77 2.529 -10.033 9.055 568 H TYR 78 H TYR 78 0.780 -8.976 4.020 569 HA TYR 78 HA TYR 78 3.575 -8.371 3.484 570 1HB TYR 78 1HB TYR 78 0.837 -7.621 2.287 571 2HB TYR 78 2HB TYR 78 2.343 -7.024 1.621 572 HD1 TYR 78 HD1 TYR 78 0.881 -10.337 2.637 573 HD2 TYR 78 HD2 TYR 78 3.145 -8.132 -0.246 574 HE1 TYR 78 HE1 TYR 78 1.070 -12.416 1.186 575 HE2 TYR 78 HE2 TYR 78 3.328 -10.217 -1.687 576 HH TYR 78 HH TYR 78 2.506 -12.248 -2.022 577 H SER 79 H SER 79 4.576 -6.445 3.972 578 HA SER 79 HA SER 79 2.871 -4.498 5.318 579 1HB SER 79 1HB SER 79 5.848 -4.603 5.781 580 2HB SER 79 2HB SER 79 4.583 -4.045 6.857 581 HG SER 79 HG SER 79 4.600 -6.804 6.102 582 H PHE 80 H PHE 80 3.217 -2.244 4.830 583 HA PHE 80 HA PHE 80 5.212 -1.630 2.821 584 1HB PHE 80 1HB PHE 80 3.141 -0.362 1.668 585 2HB PHE 80 2HB PHE 80 3.423 -2.056 1.313 586 HD1 PHE 80 HD1 PHE 80 2.184 -3.755 2.886 587 HD2 PHE 80 HD2 PHE 80 1.043 0.302 2.390 588 HE1 PHE 80 HE1 PHE 80 -0.130 -4.308 3.687 589 HE2 PHE 80 HE2 PHE 80 -1.270 -0.251 3.190 590 HZ PHE 80 HZ PHE 80 -1.829 -2.548 3.829 591 H TYR 81 H TYR 81 5.034 0.873 2.297 592 HA TYR 81 HA TYR 81 3.836 2.492 4.301 593 1HB TYR 81 1HB TYR 81 6.078 3.235 5.239 594 2HB TYR 81 2HB TYR 81 5.777 1.541 5.572 595 HD1 TYR 81 HD1 TYR 81 7.385 3.686 2.940 596 HD2 TYR 81 HD2 TYR 81 7.480 0.021 5.145 597 HE1 TYR 81 HE1 TYR 81 9.591 3.070 1.837 598 HE2 TYR 81 HE2 TYR 81 9.686 -0.582 4.034 599 HH TYR 81 HH TYR 81 10.790 0.885 1.309 600 H CYS 82 H CYS 82 4.734 4.856 4.076 601 HA CYS 82 HA CYS 82 4.852 5.341 1.233 602 1HB CYS 82 1HB CYS 82 3.486 6.570 3.218 603 2HB CYS 82 2HB CYS 82 4.898 7.605 3.142 604 H THR 83 H THR 83 6.569 6.643 0.257 605 HA THR 83 HA THR 83 9.124 6.178 1.515 606 HB THR 83 HB THR 83 8.003 6.799 -1.170 607 HG1 THR 83 HG1 THR 83 10.121 5.520 -1.501 608 1HG2 THR 83 1HG2 THR 83 10.796 7.773 -0.366 609 2HG2 THR 83 2HG2 THR 83 10.149 7.712 -2.023 610 3HG2 THR 83 3HG2 THR 83 9.449 8.838 -0.836 611 HA PRO 84 HA PRO 84 8.976 10.882 1.614 612 1HB PRO 84 1HB PRO 84 6.634 12.198 1.117 613 2HB PRO 84 2HB PRO 84 7.868 11.947 -0.100 614 1HG PRO 84 1HG PRO 84 5.272 10.571 0.217 615 2HG PRO 84 2HG PRO 84 6.308 10.646 -1.193 616 1HD PRO 84 1HD PRO 84 6.013 8.430 0.603 617 2HD PRO 84 2HD PRO 84 7.135 8.550 -0.738 618 H HIS 85 H HIS 85 5.842 9.599 2.579 619 HA HIS 85 HA HIS 85 6.007 11.108 5.024 620 1HB HIS 85 1HB HIS 85 3.961 9.130 3.983 621 2HB HIS 85 2HB HIS 85 3.817 9.997 5.499 622 HD2 HIS 85 HD2 HIS 85 3.589 12.908 5.155 623 HE1 HIS 85 HE1 HIS 85 2.190 12.549 1.152 624 HE2 HIS 85 HE2 HIS 85 2.428 14.088 3.218 625 H ARG 86 H ARG 86 7.794 8.640 4.031 626 HA ARG 86 HA ARG 86 7.426 6.480 5.522 627 1HB ARG 86 1HB ARG 86 9.370 7.022 3.936 628 2HB ARG 86 2HB ARG 86 10.142 7.862 5.267 629 1HG ARG 86 1HG ARG 86 10.917 5.910 6.117 630 2HG ARG 86 2HG ARG 86 9.292 5.258 6.207 631 1HD ARG 86 1HD ARG 86 9.411 4.313 4.017 632 2HD ARG 86 2HD ARG 86 10.749 5.340 3.542 633 HE ARG 86 HE ARG 86 10.911 2.867 5.137 634 1HH1 ARG 86 1HH1 ARG 86 12.567 5.789 4.086 635 2HH1 ARG 86 2HH1 ARG 86 14.150 5.158 4.398 636 1HH2 ARG 86 1HH2 ARG 86 13.000 2.033 5.549 637 2HH2 ARG 86 2HH2 ARG 86 14.397 3.007 5.235 638 H GLY 87 H GLY 87 8.248 9.719 6.658 639 1HA GLY 87 1HA GLY 87 8.865 8.711 9.353 640 2HA GLY 87 2HA GLY 87 9.213 10.311 8.728 641 H ALA 88 H ALA 88 6.441 10.399 7.386 642 HA ALA 88 HA ALA 88 5.129 11.757 9.448 643 1HB ALA 88 1HB ALA 88 4.910 11.451 6.673 644 2HB ALA 88 2HB ALA 88 3.384 10.792 7.308 645 3HB ALA 88 3HB ALA 88 3.872 12.455 7.713 646 H GLY 89 H GLY 89 5.308 8.365 8.555 647 1HA GLY 89 1HA GLY 89 4.663 6.668 10.014 648 2HA GLY 89 2HA GLY 89 3.491 7.733 10.765 649 H MET 90 H MET 90 4.160 6.689 7.340 650 HA MET 90 HA MET 90 1.314 6.066 7.178 651 1HB MET 90 1HB MET 90 3.347 7.198 5.226 652 2HB MET 90 2HB MET 90 2.002 6.281 4.576 653 1HG MET 90 1HG MET 90 0.679 7.935 6.347 654 2HG MET 90 2HG MET 90 2.010 8.971 5.874 655 1HE MET 90 1HE MET 90 -0.263 6.313 4.625 656 2HE MET 90 2HE MET 90 -1.063 6.969 3.176 657 3HE MET 90 3HE MET 90 0.568 6.268 3.052 658 H VAL 91 H VAL 91 1.655 3.892 8.020 659 HA VAL 91 HA VAL 91 2.973 2.153 6.050 660 HB VAL 91 HB VAL 91 3.515 0.663 7.935 661 1HG1 VAL 91 1HG1 VAL 91 4.836 2.953 7.122 662 2HG1 VAL 91 2HG1 VAL 91 4.814 3.111 8.895 663 3HG1 VAL 91 3HG1 VAL 91 5.515 1.660 8.139 664 1HG2 VAL 91 1HG2 VAL 91 1.748 2.389 9.369 665 2HG2 VAL 91 2HG2 VAL 91 2.565 0.912 9.933 666 3HG2 VAL 91 3HG2 VAL 91 3.358 2.495 10.120 667 H GLY 92 H GLY 92 2.052 -0.147 6.121 668 1HA GLY 92 1HA GLY 92 -0.679 -0.340 7.097 669 2HA GLY 92 2HA GLY 92 -0.501 -0.299 5.353 670 H THR 93 H THR 93 -1.606 -2.571 6.339 671 HA THR 93 HA THR 93 0.504 -4.522 5.845 672 HB THR 93 HB THR 93 -1.402 -5.080 8.116 673 HG1 THR 93 HG1 THR 93 1.086 -3.540 8.273 674 1HG2 THR 93 1HG2 THR 93 1.321 -5.902 7.180 675 2HG2 THR 93 2HG2 THR 93 1.154 -5.687 8.939 676 3HG2 THR 93 3HG2 THR 93 0.105 -6.841 8.081 677 H ILE 94 H ILE 94 -0.312 -6.621 5.167 678 HA ILE 94 HA ILE 94 -3.136 -6.717 4.550 679 HB ILE 94 HB ILE 94 -0.989 -6.527 2.448 680 1HG1 ILE 94 1HG1 ILE 94 -3.633 -5.086 2.813 681 2HG1 ILE 94 2HG1 ILE 94 -2.055 -4.431 3.200 682 1HG2 ILE 94 1HG2 ILE 94 -3.727 -7.787 2.250 683 2HG2 ILE 94 2HG2 ILE 94 -2.866 -7.128 0.837 684 3HG2 ILE 94 3HG2 ILE 94 -2.150 -8.462 1.774 685 1HD1 ILE 94 1HD1 ILE 94 -1.403 -4.908 0.746 686 2HD1 ILE 94 2HD1 ILE 94 -3.137 -5.184 0.459 687 3HD1 ILE 94 3HD1 ILE 94 -2.571 -3.593 1.019 688 H THR 95 H THR 95 -3.902 -8.806 4.598 689 HA THR 95 HA THR 95 -1.837 -10.889 4.887 690 HB THR 95 HB THR 95 -4.634 -10.745 6.128 691 HG1 THR 95 HG1 THR 95 -1.950 -10.396 7.254 692 1HG2 THR 95 1HG2 THR 95 -2.312 -12.671 6.250 693 2HG2 THR 95 2HG2 THR 95 -3.173 -12.321 7.768 694 3HG2 THR 95 3HG2 THR 95 -4.056 -13.002 6.379 695 H VAL 96 H VAL 96 -2.068 -12.843 3.811 696 HA VAL 96 HA VAL 96 -4.330 -12.946 1.943 697 HB VAL 96 HB VAL 96 -1.386 -13.178 1.435 698 1HG1 VAL 96 1HG1 VAL 96 -3.483 -14.919 0.309 699 2HG1 VAL 96 2HG1 VAL 96 -2.475 -14.099 -0.908 700 3HG1 VAL 96 3HG1 VAL 96 -1.714 -15.118 0.337 701 1HG2 VAL 96 1HG2 VAL 96 -2.943 -11.122 0.979 702 2HG2 VAL 96 2HG2 VAL 96 -1.747 -11.617 -0.243 703 3HG2 VAL 96 3HG2 VAL 96 -3.458 -12.065 -0.441 704 H GLU 97 H GLU 97 -5.228 -14.268 3.770 705 HA GLU 97 HA GLU 97 -3.883 -16.776 4.167 706 1HB GLU 97 1HB GLU 97 -5.997 -15.217 5.526 707 2HB GLU 97 2HB GLU 97 -6.335 -16.936 5.481 708 1HG GLU 97 1HG GLU 97 -3.831 -17.214 6.263 709 2HG GLU 97 2HG GLU 97 -3.944 -15.522 6.704 Start of MODEL 16 1 H ALA 1 H ALA 1 -14.901 -11.857 -3.559 2 HA ALA 1 HA ALA 1 -15.211 -9.706 -3.142 3 1HB ALA 1 1HB ALA 1 -15.945 -10.779 -0.953 4 2HB ALA 1 2HB ALA 1 -14.358 -10.321 -0.290 5 3HB ALA 1 3HB ALA 1 -15.488 -9.063 -0.848 6 H SER 2 H SER 2 -13.969 -8.039 -3.835 7 HA SER 2 HA SER 2 -11.138 -8.258 -3.364 8 1HB SER 2 1HB SER 2 -12.779 -6.367 -5.105 9 2HB SER 2 2HB SER 2 -11.030 -6.338 -5.014 10 HG SER 2 HG SER 2 -11.278 -7.699 -6.689 11 H VAL 3 H VAL 3 -9.858 -6.386 -2.570 12 HA VAL 3 HA VAL 3 -11.480 -4.590 -0.901 13 HB VAL 3 HB VAL 3 -9.281 -4.674 0.532 14 1HG1 VAL 3 1HG1 VAL 3 -11.815 -5.978 0.625 15 2HG1 VAL 3 2HG1 VAL 3 -10.590 -7.128 1.212 16 3HG1 VAL 3 3HG1 VAL 3 -10.746 -5.529 1.977 17 1HG2 VAL 3 1HG2 VAL 3 -8.039 -6.115 -1.043 18 2HG2 VAL 3 2HG2 VAL 3 -8.215 -6.871 0.560 19 3HG2 VAL 3 3HG2 VAL 3 -9.238 -7.407 -0.794 20 H GLN 4 H GLN 4 -9.868 -2.667 -0.151 21 HA GLN 4 HA GLN 4 -8.129 -1.960 -2.332 22 1HB GLN 4 1HB GLN 4 -9.269 0.344 -2.467 23 2HB GLN 4 2HB GLN 4 -10.108 -0.994 -3.227 24 1HG GLN 4 1HG GLN 4 -11.223 -1.206 -0.777 25 2HG GLN 4 2HG GLN 4 -10.795 0.491 -0.696 26 1HE2 GLN 4 2HE2 GLN 4 -13.367 -1.081 -0.971 27 2HE2 GLN 4 1HE2 GLN 4 -14.223 -0.340 -2.282 28 H ILE 5 H ILE 5 -6.857 0.093 -1.796 29 HA ILE 5 HA ILE 5 -6.726 0.464 1.113 30 HB ILE 5 HB ILE 5 -4.595 -0.283 -0.826 31 1HG1 ILE 5 1HG1 ILE 5 -5.449 -1.977 0.670 32 2HG1 ILE 5 2HG1 ILE 5 -3.795 -1.589 1.104 33 1HG2 ILE 5 1HG2 ILE 5 -4.321 1.816 1.274 34 2HG2 ILE 5 2HG2 ILE 5 -3.010 0.622 1.110 35 3HG2 ILE 5 3HG2 ILE 5 -3.479 1.625 -0.284 36 1HD1 ILE 5 1HD1 ILE 5 -5.284 0.228 2.629 37 2HD1 ILE 5 2HD1 ILE 5 -6.261 -1.258 2.673 38 3HD1 ILE 5 3HD1 ILE 5 -4.567 -1.290 3.220 39 H LYS 6 H LYS 6 -7.084 2.536 1.688 40 HA LYS 6 HA LYS 6 -6.929 4.540 -0.417 41 1HB LYS 6 1HB LYS 6 -8.560 4.105 1.968 42 2HB LYS 6 2HB LYS 6 -7.927 5.737 1.893 43 1HG LYS 6 1HG LYS 6 -8.812 6.015 -0.403 44 2HG LYS 6 2HG LYS 6 -9.360 4.351 -0.422 45 1HD LYS 6 1HD LYS 6 -10.313 6.135 1.820 46 2HD LYS 6 2HD LYS 6 -11.013 6.365 0.230 47 1HE LYS 6 1HE LYS 6 -11.006 3.554 0.611 48 2HE LYS 6 2HE LYS 6 -11.483 4.210 2.164 49 1HZ LYS 6 1HZ LYS 6 -12.904 5.689 0.453 50 2HZ LYS 6 2HZ LYS 6 -12.890 4.248 -0.315 51 3HZ LYS 6 3HZ LYS 6 -13.465 4.356 1.210 52 H MET 7 H MET 7 -5.593 6.366 -0.319 53 HA MET 7 HA MET 7 -3.583 6.203 1.793 54 1HB MET 7 1HB MET 7 -3.436 6.529 -1.176 55 2HB MET 7 2HB MET 7 -2.421 7.654 -0.296 56 1HG MET 7 1HG MET 7 -0.941 5.866 -0.444 57 2HG MET 7 2HG MET 7 -1.720 5.450 1.068 58 1HE MET 7 1HE MET 7 -0.758 4.799 -2.192 59 2HE MET 7 2HE MET 7 -1.152 3.083 -2.444 60 3HE MET 7 3HE MET 7 -2.238 4.347 -3.069 61 H GLY 8 H GLY 8 -4.235 7.748 3.275 62 1HA GLY 8 1HA GLY 8 -3.947 10.052 3.818 63 2HA GLY 8 2HA GLY 8 -4.543 10.490 2.229 64 H THR 9 H THR 9 -5.466 11.073 5.134 65 HA THR 9 HA THR 9 -8.196 10.009 4.913 66 HB THR 9 HB THR 9 -8.160 10.955 7.389 67 HG1 THR 9 HG1 THR 9 -6.008 12.006 6.749 68 1HG2 THR 9 1HG2 THR 9 -6.490 8.568 6.454 69 2HG2 THR 9 2HG2 THR 9 -6.775 8.931 8.173 70 3HG2 THR 9 3HG2 THR 9 -8.146 8.537 7.108 71 H ASP 10 H ASP 10 -9.973 11.527 5.608 72 HA ASP 10 HA ASP 10 -9.862 13.745 3.932 73 1HB ASP 10 1HB ASP 10 -11.918 12.417 4.728 74 2HB ASP 10 2HB ASP 10 -11.799 13.285 6.245 75 H LYS 11 H LYS 11 -8.535 13.175 7.018 76 HA LYS 11 HA LYS 11 -8.923 15.890 7.980 77 1HB LYS 11 1HB LYS 11 -8.042 13.295 9.152 78 2HB LYS 11 2HB LYS 11 -7.351 14.750 9.842 79 1HG LYS 11 1HG LYS 11 -9.548 15.662 10.347 80 2HG LYS 11 2HG LYS 11 -10.350 14.423 9.404 81 1HD LYS 11 1HD LYS 11 -10.610 13.593 11.586 82 2HD LYS 11 2HD LYS 11 -9.182 12.730 11.050 83 1HE LYS 11 1HE LYS 11 -8.332 15.270 12.142 84 2HE LYS 11 2HE LYS 11 -9.438 14.534 13.284 85 1HZ LYS 11 1HZ LYS 11 -7.365 12.882 12.088 86 2HZ LYS 11 2HZ LYS 11 -6.956 13.909 13.290 87 3HZ LYS 11 3HZ LYS 11 -8.075 12.749 13.553 88 H TYR 12 H TYR 12 -7.495 15.459 5.455 89 HA TYR 12 HA TYR 12 -5.554 15.901 4.444 90 1HB TYR 12 1HB TYR 12 -6.260 17.906 6.497 91 2HB TYR 12 2HB TYR 12 -4.521 17.879 6.277 92 HD1 TYR 12 HD1 TYR 12 -3.579 18.243 3.933 93 HD2 TYR 12 HD2 TYR 12 -7.677 18.973 4.921 94 HE1 TYR 12 HE1 TYR 12 -3.826 19.700 1.865 95 HE2 TYR 12 HE2 TYR 12 -7.909 20.428 2.850 96 HH TYR 12 HH TYR 12 -6.967 21.120 1.024 97 H ALA 13 H ALA 13 -5.443 13.823 6.648 98 HA ALA 13 HA ALA 13 -2.626 14.169 7.404 99 1HB ALA 13 1HB ALA 13 -4.860 12.492 8.617 100 2HB ALA 13 2HB ALA 13 -3.166 12.473 9.163 101 3HB ALA 13 3HB ALA 13 -4.133 13.961 9.310 102 HA PRO 14 HA PRO 14 -1.916 10.994 4.502 103 1HB PRO 14 1HB PRO 14 0.795 10.827 4.795 104 2HB PRO 14 2HB PRO 14 0.015 12.001 3.755 105 1HG PRO 14 1HG PRO 14 1.272 12.413 6.399 106 2HG PRO 14 2HG PRO 14 0.877 13.602 5.173 107 1HD PRO 14 1HD PRO 14 -0.567 13.094 7.599 108 2HD PRO 14 2HD PRO 14 -1.024 14.200 6.318 109 H LEU 15 H LEU 15 -2.777 9.062 4.950 110 HA LEU 15 HA LEU 15 -1.129 7.277 6.429 111 1HB LEU 15 1HB LEU 15 -2.678 6.798 8.234 112 2HB LEU 15 2HB LEU 15 -2.058 8.435 8.320 113 HG LEU 15 HG LEU 15 -4.467 8.623 6.867 114 1HD1 LEU 15 1HD1 LEU 15 -4.548 6.300 8.521 115 2HD1 LEU 15 2HD1 LEU 15 -5.610 7.537 9.235 116 3HD1 LEU 15 3HD1 LEU 15 -5.847 7.029 7.546 117 1HD2 LEU 15 1HD2 LEU 15 -3.428 9.471 9.528 118 2HD2 LEU 15 2HD2 LEU 15 -4.036 10.441 8.163 119 3HD2 LEU 15 3HD2 LEU 15 -5.181 9.601 9.237 120 H TYR 16 H TYR 16 -1.838 5.070 6.180 121 HA TYR 16 HA TYR 16 -3.461 4.755 3.820 122 1HB TYR 16 1HB TYR 16 -1.748 3.086 5.726 123 2HB TYR 16 2HB TYR 16 -2.796 2.251 4.596 124 HD1 TYR 16 HD1 TYR 16 -2.384 2.388 2.160 125 HD2 TYR 16 HD2 TYR 16 0.253 4.237 4.977 126 HE1 TYR 16 HE1 TYR 16 -0.599 2.602 0.361 127 HE2 TYR 16 HE2 TYR 16 2.027 4.444 3.168 128 HH TYR 16 HH TYR 16 2.636 3.704 1.154 129 H GLU 17 H GLU 17 -5.585 4.193 3.751 130 HA GLU 17 HA GLU 17 -6.693 3.120 6.227 131 1HB GLU 17 1HB GLU 17 -7.283 5.592 5.537 132 2HB GLU 17 2HB GLU 17 -8.317 4.844 4.337 133 1HG GLU 17 1HG GLU 17 -9.526 3.595 6.098 134 2HG GLU 17 2HG GLU 17 -8.438 4.215 7.324 135 HA PRO 18 HA PRO 18 -7.938 2.024 6.907 136 1HB PRO 18 1HB PRO 18 -8.079 -0.602 7.653 137 2HB PRO 18 2HB PRO 18 -9.495 0.382 7.335 138 1HG PRO 18 1HG PRO 18 -8.288 -1.728 5.652 139 2HG PRO 18 2HG PRO 18 -9.899 -1.045 5.568 140 1HD PRO 18 1HD PRO 18 -7.698 -0.471 3.820 141 2HD PRO 18 2HD PRO 18 -9.272 0.297 3.809 142 H LYS 19 H LYS 19 -6.671 0.854 8.841 143 HA LYS 19 HA LYS 19 -3.927 1.021 7.894 144 1HB LYS 19 1HB LYS 19 -3.328 1.496 10.116 145 2HB LYS 19 2HB LYS 19 -4.823 2.370 9.852 146 1HG LYS 19 1HG LYS 19 -6.118 0.748 11.076 147 2HG LYS 19 2HG LYS 19 -4.821 -0.431 11.044 148 1HD LYS 19 1HD LYS 19 -4.825 2.211 12.576 149 2HD LYS 19 2HD LYS 19 -4.942 0.608 13.272 150 1HE LYS 19 1HE LYS 19 -2.644 0.168 12.041 151 2HE LYS 19 2HE LYS 19 -2.544 1.915 11.947 152 1HZ LYS 19 1HZ LYS 19 -3.186 0.688 14.504 153 2HZ LYS 19 2HZ LYS 19 -1.636 0.675 13.991 154 3HZ LYS 19 3HZ LYS 19 -2.416 2.094 14.199 155 H ALA 20 H ALA 20 -5.777 -1.306 7.323 156 HA ALA 20 HA ALA 20 -3.929 -3.338 7.637 157 1HB ALA 20 1HB ALA 20 -5.328 -2.799 10.058 158 2HB ALA 20 2HB ALA 20 -5.990 -4.316 9.404 159 3HB ALA 20 3HB ALA 20 -4.241 -4.163 9.702 160 H LEU 21 H LEU 21 -4.583 -5.174 6.443 161 HA LEU 21 HA LEU 21 -7.365 -5.332 5.654 162 1HB LEU 21 1HB LEU 21 -6.794 -3.913 3.944 163 2HB LEU 21 2HB LEU 21 -5.147 -4.505 3.839 164 HG LEU 21 HG LEU 21 -5.936 -6.573 2.770 165 1HD1 LEU 21 1HD1 LEU 21 -8.406 -5.914 3.880 166 2HD1 LEU 21 2HD1 LEU 21 -8.629 -5.701 2.126 167 3HD1 LEU 21 3HD1 LEU 21 -8.051 -7.257 2.767 168 1HD2 LEU 21 1HD2 LEU 21 -5.363 -4.448 1.492 169 2HD2 LEU 21 2HD2 LEU 21 -6.326 -5.672 0.631 170 3HD2 LEU 21 3HD2 LEU 21 -7.118 -4.221 1.291 171 H SER 22 H SER 22 -7.975 -7.437 5.018 172 HA SER 22 HA SER 22 -5.803 -9.373 5.102 173 1HB SER 22 1HB SER 22 -7.060 -9.275 7.299 174 2HB SER 22 2HB SER 22 -8.517 -9.740 6.445 175 HG SER 22 HG SER 22 -6.941 -11.435 7.526 176 H ILE 23 H ILE 23 -6.063 -11.170 3.677 177 HA ILE 23 HA ILE 23 -8.569 -11.461 2.279 178 HB ILE 23 HB ILE 23 -7.662 -11.143 0.076 179 1HG1 ILE 23 1HG1 ILE 23 -5.087 -10.126 1.291 180 2HG1 ILE 23 2HG1 ILE 23 -5.288 -11.791 0.782 181 1HG2 ILE 23 1HG2 ILE 23 -8.688 -9.223 1.217 182 2HG2 ILE 23 2HG2 ILE 23 -7.088 -8.734 1.825 183 3HG2 ILE 23 3HG2 ILE 23 -7.417 -8.722 0.076 184 1HD1 ILE 23 1HD1 ILE 23 -6.170 -9.756 -1.213 185 2HD1 ILE 23 2HD1 ILE 23 -4.424 -9.792 -0.874 186 3HD1 ILE 23 3HD1 ILE 23 -5.249 -11.259 -1.452 187 H SER 24 H SER 24 -7.856 -13.213 0.302 188 HA SER 24 HA SER 24 -6.364 -15.233 1.788 189 1HB SER 24 1HB SER 24 -8.681 -15.781 -0.112 190 2HB SER 24 2HB SER 24 -7.870 -16.941 0.923 191 HG SER 24 HG SER 24 -8.628 -15.573 2.776 192 H ALA 25 H ALA 25 -5.721 -17.126 0.103 193 HA ALA 25 HA ALA 25 -4.026 -15.882 -1.788 194 1HB ALA 25 1HB ALA 25 -3.449 -17.950 -0.578 195 2HB ALA 25 2HB ALA 25 -4.797 -18.798 -1.372 196 3HB ALA 25 3HB ALA 25 -3.420 -18.216 -2.338 197 H GLY 26 H GLY 26 -4.918 -14.837 -3.523 198 1HA GLY 26 1HA GLY 26 -5.638 -15.510 -5.805 199 2HA GLY 26 2HA GLY 26 -6.993 -16.311 -5.034 200 H ASP 27 H ASP 27 -6.537 -13.755 -3.014 201 HA ASP 27 HA ASP 27 -8.681 -12.334 -4.226 202 1HB ASP 27 1HB ASP 27 -7.073 -12.048 -1.664 203 2HB ASP 27 2HB ASP 27 -8.189 -10.787 -2.147 204 H THR 28 H THR 28 -8.402 -9.718 -4.052 205 HA THR 28 HA THR 28 -5.740 -9.027 -5.103 206 HB THR 28 HB THR 28 -8.442 -7.970 -6.083 207 HG1 THR 28 HG1 THR 28 -8.033 -10.277 -6.534 208 1HG2 THR 28 1HG2 THR 28 -6.240 -6.614 -6.476 209 2HG2 THR 28 2HG2 THR 28 -5.741 -7.981 -7.500 210 3HG2 THR 28 3HG2 THR 28 -7.196 -7.044 -7.916 211 H VAL 29 H VAL 29 -5.130 -6.749 -4.837 212 HA VAL 29 HA VAL 29 -6.588 -5.481 -2.633 213 HB VAL 29 HB VAL 29 -3.594 -5.865 -2.841 214 1HG1 VAL 29 1HG1 VAL 29 -5.017 -3.775 -1.623 215 2HG1 VAL 29 2HG1 VAL 29 -4.577 -4.874 -0.294 216 3HG1 VAL 29 3HG1 VAL 29 -3.312 -4.216 -1.359 217 1HG2 VAL 29 1HG2 VAL 29 -5.041 -7.855 -2.123 218 2HG2 VAL 29 2HG2 VAL 29 -3.733 -7.361 -1.021 219 3HG2 VAL 29 3HG2 VAL 29 -5.417 -6.907 -0.663 220 H GLU 30 H GLU 30 -7.367 -3.608 -3.448 221 HA GLU 30 HA GLU 30 -5.913 -2.387 -5.613 222 1HB GLU 30 1HB GLU 30 -8.389 -2.679 -5.748 223 2HB GLU 30 2HB GLU 30 -8.588 -1.644 -4.348 224 1HG GLU 30 1HG GLU 30 -7.663 0.276 -5.535 225 2HG GLU 30 2HG GLU 30 -7.157 -0.726 -6.881 226 H PHE 31 H PHE 31 -5.666 0.095 -5.567 227 HA PHE 31 HA PHE 31 -5.296 1.103 -2.859 228 1HB PHE 31 1HB PHE 31 -3.247 0.779 -5.114 229 2HB PHE 31 2HB PHE 31 -3.017 2.012 -3.889 230 HD1 PHE 31 HD1 PHE 31 -3.371 -1.643 -4.384 231 HD2 PHE 31 HD2 PHE 31 -2.122 1.465 -1.778 232 HE1 PHE 31 HE1 PHE 31 -2.287 -3.337 -2.882 233 HE2 PHE 31 HE2 PHE 31 -1.038 -0.229 -0.277 234 HZ PHE 31 HZ PHE 31 -1.134 -2.611 -0.847 235 H VAL 32 H VAL 32 -6.153 3.121 -2.706 236 HA VAL 32 HA VAL 32 -6.252 4.699 -5.182 237 HB VAL 32 HB VAL 32 -8.430 3.626 -4.372 238 1HG1 VAL 32 1HG1 VAL 32 -8.153 4.055 -1.977 239 2HG1 VAL 32 2HG1 VAL 32 -8.172 5.810 -2.276 240 3HG1 VAL 32 3HG1 VAL 32 -9.628 4.837 -2.593 241 1HG2 VAL 32 1HG2 VAL 32 -7.840 6.176 -5.515 242 2HG2 VAL 32 2HG2 VAL 32 -9.280 5.157 -5.750 243 3HG2 VAL 32 3HG2 VAL 32 -9.249 6.364 -4.442 244 H MET 33 H MET 33 -6.261 7.071 -4.812 245 HA MET 33 HA MET 33 -4.745 7.648 -2.391 246 1HB MET 33 1HB MET 33 -4.032 8.071 -5.003 247 2HB MET 33 2HB MET 33 -4.873 9.580 -4.708 248 1HG MET 33 1HG MET 33 -3.166 9.047 -2.432 249 2HG MET 33 2HG MET 33 -2.212 8.843 -3.888 250 1HE MET 33 1HE MET 33 -1.221 10.569 -5.146 251 2HE MET 33 2HE MET 33 -2.745 10.818 -6.030 252 3HE MET 33 3HE MET 33 -1.842 12.217 -5.402 253 H ASN 34 H ASN 34 -5.560 9.069 -0.884 254 HA ASN 34 HA ASN 34 -8.181 10.086 -1.414 255 1HB ASN 34 1HB ASN 34 -6.453 9.594 0.959 256 2HB ASN 34 2HB ASN 34 -7.399 11.063 1.092 257 1HD2 ASN 34 2HD2 ASN 34 -9.306 10.860 1.961 258 2HD2 ASN 34 1HD2 ASN 34 -10.323 9.457 1.960 259 H LYS 35 H LYS 35 -5.070 11.434 -0.048 260 HA LYS 35 HA LYS 35 -4.902 13.571 -1.811 261 1HB LYS 35 1HB LYS 35 -5.635 15.449 -0.426 262 2HB LYS 35 2HB LYS 35 -6.969 14.385 -0.819 263 1HG LYS 35 1HG LYS 35 -5.689 13.500 1.651 264 2HG LYS 35 2HG LYS 35 -6.114 15.196 1.773 265 1HD LYS 35 1HD LYS 35 -8.108 13.153 0.721 266 2HD LYS 35 2HD LYS 35 -7.912 13.419 2.443 267 1HE LYS 35 1HE LYS 35 -9.118 15.345 2.364 268 2HE LYS 35 2HE LYS 35 -8.130 15.985 1.067 269 1HZ LYS 35 1HZ LYS 35 -10.213 13.979 0.590 270 2HZ LYS 35 2HZ LYS 35 -10.515 15.584 0.540 271 3HZ LYS 35 3HZ LYS 35 -9.458 14.918 -0.512 272 H VAL 36 H VAL 36 -3.752 15.509 0.005 273 HA VAL 36 HA VAL 36 -1.727 15.931 0.806 274 HB VAL 36 HB VAL 36 -1.191 14.873 2.874 275 1HG1 VAL 36 1HG1 VAL 36 -3.521 16.149 2.426 276 2HG1 VAL 36 2HG1 VAL 36 -4.150 14.597 3.030 277 3HG1 VAL 36 3HG1 VAL 36 -3.028 15.553 4.029 278 1HG2 VAL 36 1HG2 VAL 36 -1.603 12.506 1.837 279 2HG2 VAL 36 2HG2 VAL 36 -1.850 12.764 3.581 280 3HG2 VAL 36 3HG2 VAL 36 -3.249 12.714 2.482 281 H GLY 37 H GLY 37 -1.799 14.383 -1.648 282 1HA GLY 37 1HA GLY 37 0.355 12.426 -1.347 283 2HA GLY 37 2HA GLY 37 -0.623 12.726 -2.770 284 HA PRO 38 HA PRO 38 0.506 12.083 -4.062 285 1HB PRO 38 1HB PRO 38 2.684 11.222 -5.470 286 2HB PRO 38 2HB PRO 38 1.459 12.274 -6.149 287 1HG PRO 38 1HG PRO 38 4.193 12.952 -5.255 288 2HG PRO 38 2HG PRO 38 3.125 13.860 -6.306 289 1HD PRO 38 1HD PRO 38 3.691 14.407 -3.548 290 2HD PRO 38 2HD PRO 38 2.537 15.243 -4.567 291 H HIS 39 H HIS 39 1.485 9.672 -4.258 292 HA HIS 39 HA HIS 39 3.109 9.264 -1.886 293 1HB HIS 39 1HB HIS 39 0.500 7.781 -2.283 294 2HB HIS 39 2HB HIS 39 1.608 7.638 -0.933 295 HD2 HIS 39 HD2 HIS 39 -1.322 9.891 -2.125 296 HE1 HIS 39 HE1 HIS 39 0.084 11.487 1.561 297 HE2 HIS 39 HE2 HIS 39 -1.732 11.600 -0.280 298 H ASN 40 H ASN 40 2.357 6.304 -2.089 299 HA ASN 40 HA ASN 40 2.864 5.402 -4.635 300 1HB ASN 40 1HB ASN 40 5.284 4.570 -4.208 301 2HB ASN 40 2HB ASN 40 5.104 6.273 -4.586 302 1HD2 ASN 40 2HD2 ASN 40 5.729 3.901 -2.112 303 2HD2 ASN 40 1HD2 ASN 40 6.357 4.963 -0.896 304 H VAL 41 H VAL 41 3.952 2.957 -4.345 305 HA VAL 41 HA VAL 41 2.923 1.884 -1.812 306 HB VAL 41 HB VAL 41 2.560 0.762 -4.598 307 1HG1 VAL 41 1HG1 VAL 41 2.071 -0.385 -1.860 308 2HG1 VAL 41 2HG1 VAL 41 1.016 -0.845 -3.218 309 3HG1 VAL 41 3HG1 VAL 41 2.767 -1.153 -3.307 310 1HG2 VAL 41 1HG2 VAL 41 0.560 1.914 -2.624 311 2HG2 VAL 41 2HG2 VAL 41 1.055 2.625 -4.179 312 3HG2 VAL 41 3HG2 VAL 41 0.144 1.096 -4.150 313 H ILE 42 H ILE 42 5.296 2.250 -1.284 314 HA ILE 42 HA ILE 42 7.030 0.303 -2.585 315 HB ILE 42 HB ILE 42 7.489 2.675 -0.799 316 1HG1 ILE 42 1HG1 ILE 42 8.365 1.944 -3.607 317 2HG1 ILE 42 2HG1 ILE 42 7.199 3.171 -3.150 318 1HG2 ILE 42 1HG2 ILE 42 9.119 0.265 -1.000 319 2HG2 ILE 42 2HG2 ILE 42 10.004 1.734 -1.478 320 3HG2 ILE 42 3HG2 ILE 42 9.232 1.641 0.124 321 1HD1 ILE 42 1HD1 ILE 42 9.486 3.812 -1.632 322 2HD1 ILE 42 2HD1 ILE 42 10.121 3.332 -3.224 323 3HD1 ILE 42 3HD1 ILE 42 8.923 4.643 -3.102 324 H PHE 43 H PHE 43 6.249 -1.678 -1.785 325 HA PHE 43 HA PHE 43 5.517 -2.165 0.824 326 1HB PHE 43 1HB PHE 43 6.927 -3.892 -1.298 327 2HB PHE 43 2HB PHE 43 6.157 -4.566 0.126 328 HD1 PHE 43 HD1 PHE 43 3.702 -4.500 0.358 329 HD2 PHE 43 HD2 PHE 43 5.626 -3.138 -3.172 330 HE1 PHE 43 HE1 PHE 43 1.520 -4.613 -0.876 331 HE2 PHE 43 HE2 PHE 43 3.444 -3.251 -4.405 332 HZ PHE 43 HZ PHE 43 1.416 -3.988 -3.243 333 H ASP 44 H ASP 44 6.637 -3.389 2.544 334 HA ASP 44 HA ASP 44 9.307 -2.383 2.814 335 1HB ASP 44 1HB ASP 44 7.300 -2.631 4.598 336 2HB ASP 44 2HB ASP 44 8.018 -4.211 4.837 337 H LYS 45 H LYS 45 7.497 -5.534 2.851 338 HA LYS 45 HA LYS 45 9.211 -7.018 1.408 339 1HB LYS 45 1HB LYS 45 10.442 -6.392 3.952 340 2HB LYS 45 2HB LYS 45 10.194 -8.120 3.813 341 1HG LYS 45 1HG LYS 45 11.130 -7.643 1.307 342 2HG LYS 45 2HG LYS 45 11.899 -6.302 2.134 343 1HD LYS 45 1HD LYS 45 12.411 -8.355 3.906 344 2HD LYS 45 2HD LYS 45 12.407 -9.231 2.388 345 1HE LYS 45 1HE LYS 45 14.442 -8.393 1.826 346 2HE LYS 45 2HE LYS 45 13.878 -6.747 2.040 347 1HZ LYS 45 1HZ LYS 45 14.122 -7.665 4.560 348 2HZ LYS 45 2HZ LYS 45 15.397 -8.358 3.810 349 3HZ LYS 45 3HZ LYS 45 15.216 -6.735 3.781 350 H VAL 46 H VAL 46 8.482 -9.180 1.247 351 HA VAL 46 HA VAL 46 6.339 -9.870 3.131 352 HB VAL 46 HB VAL 46 4.970 -10.641 1.349 353 1HG1 VAL 46 1HG1 VAL 46 5.983 -7.867 1.318 354 2HG1 VAL 46 2HG1 VAL 46 5.123 -8.365 -0.159 355 3HG1 VAL 46 3HG1 VAL 46 4.316 -8.483 1.423 356 1HG2 VAL 46 1HG2 VAL 46 7.463 -10.618 -0.161 357 2HG2 VAL 46 2HG2 VAL 46 5.948 -11.503 -0.468 358 3HG2 VAL 46 3HG2 VAL 46 6.138 -9.833 -1.055 359 HA PRO 47 HA PRO 47 8.395 -13.664 3.334 360 1HB PRO 47 1HB PRO 47 6.391 -15.354 4.108 361 2HB PRO 47 2HB PRO 47 7.229 -14.287 5.219 362 1HG PRO 47 1HG PRO 47 4.511 -14.020 4.085 363 2HG PRO 47 2HG PRO 47 5.198 -13.227 5.488 364 1HD PRO 47 1HD PRO 47 4.778 -12.071 2.898 365 2HD PRO 47 2HD PRO 47 5.570 -11.316 4.266 366 H ALA 48 H ALA 48 8.511 -15.993 2.592 367 HA ALA 48 HA ALA 48 8.344 -17.493 0.962 368 1HB ALA 48 1HB ALA 48 5.796 -16.426 1.039 369 2HB ALA 48 2HB ALA 48 6.261 -16.177 -0.661 370 3HB ALA 48 3HB ALA 48 6.299 -17.812 0.042 371 H GLY 49 H GLY 49 8.285 -17.470 -1.717 372 1HA GLY 49 1HA GLY 49 10.456 -15.652 -2.379 373 2HA GLY 49 2HA GLY 49 9.868 -17.010 -3.319 374 H GLU 50 H GLU 50 7.990 -14.250 -1.915 375 HA GLU 50 HA GLU 50 6.738 -13.883 -4.443 376 1HB GLU 50 1HB GLU 50 6.147 -13.290 -1.711 377 2HB GLU 50 2HB GLU 50 6.162 -11.754 -2.556 378 1HG GLU 50 1HG GLU 50 3.907 -12.905 -2.563 379 2HG GLU 50 2HG GLU 50 4.508 -12.514 -4.161 380 H SER 51 H SER 51 6.353 -11.122 -4.658 381 HA SER 51 HA SER 51 9.094 -10.177 -4.979 382 1HB SER 51 1HB SER 51 6.839 -10.329 -6.907 383 2HB SER 51 2HB SER 51 7.658 -8.781 -6.888 384 HG SER 51 HG SER 51 8.982 -9.825 -8.244 385 H ALA 52 H ALA 52 8.684 -9.273 -2.744 386 HA ALA 52 HA ALA 52 6.652 -7.288 -2.458 387 1HB ALA 52 1HB ALA 52 8.205 -8.863 -0.773 388 2HB ALA 52 2HB ALA 52 8.883 -7.234 -0.546 389 3HB ALA 52 3HB ALA 52 7.149 -7.522 -0.268 390 HA PRO 53 HA PRO 53 10.417 -4.472 -2.979 391 1HB PRO 53 1HB PRO 53 12.814 -5.508 -3.783 392 2HB PRO 53 2HB PRO 53 12.412 -5.215 -2.103 393 1HG PRO 53 1HG PRO 53 12.529 -7.785 -3.558 394 2HG PRO 53 2HG PRO 53 12.553 -7.500 -1.829 395 1HD PRO 53 1HD PRO 53 10.329 -8.427 -3.386 396 2HD PRO 53 2HD PRO 53 10.321 -8.031 -1.679 397 H ALA 54 H ALA 54 9.158 -6.628 -5.048 398 HA ALA 54 HA ALA 54 10.258 -5.242 -7.383 399 1HB ALA 54 1HB ALA 54 9.596 -7.968 -6.775 400 2HB ALA 54 2HB ALA 54 8.522 -7.409 -8.079 401 3HB ALA 54 3HB ALA 54 10.288 -7.302 -8.274 402 H LEU 55 H LEU 55 7.131 -6.382 -5.925 403 HA LEU 55 HA LEU 55 5.453 -5.130 -7.713 404 1HB LEU 55 1HB LEU 55 5.251 -6.083 -4.900 405 2HB LEU 55 2HB LEU 55 3.972 -5.049 -5.504 406 HG LEU 55 HG LEU 55 4.846 -7.568 -6.933 407 1HD1 LEU 55 1HD1 LEU 55 3.820 -7.625 -4.422 408 2HD1 LEU 55 2HD1 LEU 55 2.327 -7.635 -5.392 409 3HD1 LEU 55 3HD1 LEU 55 3.561 -8.892 -5.646 410 1HD2 LEU 55 1HD2 LEU 55 2.358 -5.851 -7.131 411 2HD2 LEU 55 2HD2 LEU 55 3.649 -6.018 -8.345 412 3HD2 LEU 55 3HD2 LEU 55 2.601 -7.405 -7.964 413 H SER 56 H SER 56 7.321 -3.823 -4.975 414 HA SER 56 HA SER 56 6.094 -1.557 -4.389 415 1HB SER 56 1HB SER 56 9.066 -1.596 -5.044 416 2HB SER 56 2HB SER 56 8.255 -0.611 -3.843 417 HG SER 56 HG SER 56 7.815 -2.497 -2.595 418 H ASN 57 H ASN 57 6.480 0.772 -5.133 419 HA ASN 57 HA ASN 57 7.309 1.070 -7.840 420 1HB ASN 57 1HB ASN 57 4.453 0.828 -7.138 421 2HB ASN 57 2HB ASN 57 4.792 2.371 -7.895 422 1HD2 ASN 57 2HD2 ASN 57 3.398 -0.147 -8.759 423 2HD2 ASN 57 1HD2 ASN 57 4.081 -0.562 -10.296 424 H THR 58 H THR 58 8.744 2.732 -7.174 425 HA THR 58 HA THR 58 7.766 4.785 -5.364 426 HB THR 58 HB THR 58 10.056 3.655 -5.192 427 HG1 THR 58 HG1 THR 58 9.337 5.960 -4.545 428 1HG2 THR 58 1HG2 THR 58 10.230 4.803 -7.932 429 2HG2 THR 58 2HG2 THR 58 11.580 5.271 -6.870 430 3HG2 THR 58 3HG2 THR 58 11.237 3.549 -7.168 431 H LYS 59 H LYS 59 6.251 4.744 -7.706 432 HA LYS 59 HA LYS 59 7.320 7.068 -9.147 433 1HB LYS 59 1HB LYS 59 7.014 5.183 -10.611 434 2HB LYS 59 2HB LYS 59 5.394 4.895 -10.010 435 1HG LYS 59 1HG LYS 59 5.304 7.585 -10.797 436 2HG LYS 59 2HG LYS 59 6.328 6.854 -12.015 437 1HD LYS 59 1HD LYS 59 4.640 5.319 -12.703 438 2HD LYS 59 2HD LYS 59 3.727 5.509 -11.219 439 1HE LYS 59 1HE LYS 59 2.764 7.531 -11.893 440 2HE LYS 59 2HE LYS 59 4.128 7.974 -12.901 441 1HZ LYS 59 1HZ LYS 59 2.426 5.698 -13.593 442 2HZ LYS 59 2HZ LYS 59 2.025 7.218 -14.035 443 3HZ LYS 59 3HZ LYS 59 3.420 6.554 -14.566 444 H LEU 60 H LEU 60 6.657 8.702 -7.716 445 HA LEU 60 HA LEU 60 4.324 8.858 -6.343 446 1HB LEU 60 1HB LEU 60 4.649 11.423 -6.840 447 2HB LEU 60 2HB LEU 60 5.721 10.527 -5.781 448 HG LEU 60 HG LEU 60 6.629 10.459 -8.555 449 1HD1 LEU 60 1HD1 LEU 60 5.933 13.096 -7.328 450 2HD1 LEU 60 2HD1 LEU 60 7.429 12.958 -8.282 451 3HD1 LEU 60 3HD1 LEU 60 5.860 12.564 -9.025 452 1HD2 LEU 60 1HD2 LEU 60 7.890 9.856 -6.436 453 2HD2 LEU 60 2HD2 LEU 60 8.743 10.897 -7.601 454 3HD2 LEU 60 3HD2 LEU 60 8.026 11.604 -6.133 455 H ALA 61 H ALA 61 2.460 8.066 -7.304 456 HA ALA 61 HA ALA 61 1.724 9.032 -9.922 457 1HB ALA 61 1HB ALA 61 1.253 6.725 -8.391 458 2HB ALA 61 2HB ALA 61 -0.319 7.557 -8.448 459 3HB ALA 61 3HB ALA 61 0.516 7.132 -9.960 460 H ILE 62 H ILE 62 1.284 11.237 -9.825 461 HA ILE 62 HA ILE 62 -0.234 12.315 -7.663 462 HB ILE 62 HB ILE 62 1.037 13.319 -10.159 463 1HG1 ILE 62 1HG1 ILE 62 2.150 13.154 -7.877 464 2HG1 ILE 62 2HG1 ILE 62 2.258 14.696 -8.703 465 1HG2 ILE 62 1HG2 ILE 62 -1.201 14.734 -8.699 466 2HG2 ILE 62 2HG2 ILE 62 0.006 15.582 -9.697 467 3HG2 ILE 62 3HG2 ILE 62 -1.068 14.368 -10.436 468 1HD1 ILE 62 1HD1 ILE 62 0.170 15.419 -7.378 469 2HD1 ILE 62 2HD1 ILE 62 0.413 13.951 -6.400 470 3HD1 ILE 62 3HD1 ILE 62 1.667 15.212 -6.437 471 H ALA 63 H ALA 63 -0.860 11.757 -11.198 472 HA ALA 63 HA ALA 63 -3.381 12.623 -11.422 473 1HB ALA 63 1HB ALA 63 -1.676 11.086 -12.916 474 2HB ALA 63 2HB ALA 63 -2.957 9.909 -12.543 475 3HB ALA 63 3HB ALA 63 -3.364 11.434 -13.363 476 HA PRO 64 HA PRO 64 -5.253 10.199 -8.221 477 1HB PRO 64 1HB PRO 64 -7.306 11.923 -7.695 478 2HB PRO 64 2HB PRO 64 -5.752 12.009 -6.889 479 1HG PRO 64 1HG PRO 64 -6.836 13.754 -9.014 480 2HG PRO 64 2HG PRO 64 -5.504 14.059 -7.917 481 1HD PRO 64 1HD PRO 64 -5.314 13.321 -10.682 482 2HD PRO 64 2HD PRO 64 -3.986 13.513 -9.555 483 H GLY 65 H GLY 65 -6.552 8.478 -8.430 484 1HA GLY 65 1HA GLY 65 -9.055 8.414 -9.416 485 2HA GLY 65 2HA GLY 65 -8.091 8.370 -10.878 486 H SER 66 H SER 66 -7.538 6.941 -7.582 487 HA SER 66 HA SER 66 -7.189 4.905 -6.919 488 1HB SER 66 1HB SER 66 -9.317 4.193 -7.700 489 2HB SER 66 2HB SER 66 -8.841 4.291 -9.383 490 HG SER 66 HG SER 66 -8.873 2.094 -8.781 491 H PHE 67 H PHE 67 -4.920 4.829 -7.003 492 HA PHE 67 HA PHE 67 -3.250 4.898 -9.054 493 1HB PHE 67 1HB PHE 67 -3.417 3.548 -6.400 494 2HB PHE 67 2HB PHE 67 -2.277 2.758 -7.469 495 HD1 PHE 67 HD1 PHE 67 -3.158 6.302 -6.650 496 HD2 PHE 67 HD2 PHE 67 -0.101 3.399 -7.130 497 HE1 PHE 67 HE1 PHE 67 -1.428 8.030 -6.081 498 HE2 PHE 67 HE2 PHE 67 1.629 5.126 -6.561 499 HZ PHE 67 HZ PHE 67 0.944 7.421 -6.044 500 H TYR 68 H TYR 68 -3.824 1.592 -7.730 501 HA TYR 68 HA TYR 68 -4.836 0.546 -10.155 502 1HB TYR 68 1HB TYR 68 -2.655 -0.839 -10.524 503 2HB TYR 68 2HB TYR 68 -2.545 0.855 -10.959 504 HD1 TYR 68 HD1 TYR 68 -1.915 -1.432 -8.057 505 HD2 TYR 68 HD2 TYR 68 -0.782 2.137 -10.126 506 HE1 TYR 68 HE1 TYR 68 0.079 -1.155 -6.503 507 HE2 TYR 68 HE2 TYR 68 1.206 2.402 -8.566 508 HH TYR 68 HH TYR 68 2.255 -0.095 -6.542 509 H SER 69 H SER 69 -4.567 -2.021 -10.074 510 HA SER 69 HA SER 69 -4.862 -2.740 -7.261 511 1HB SER 69 1HB SER 69 -6.229 -4.276 -9.476 512 2HB SER 69 2HB SER 69 -6.673 -4.159 -7.785 513 HG SER 69 HG SER 69 -8.096 -2.910 -9.160 514 H VAL 70 H VAL 70 -4.374 -5.127 -6.819 515 HA VAL 70 HA VAL 70 -2.689 -6.396 -8.799 516 HB VAL 70 HB VAL 70 -0.886 -6.684 -7.032 517 1HG1 VAL 70 1HG1 VAL 70 -1.111 -4.948 -9.084 518 2HG1 VAL 70 2HG1 VAL 70 -0.933 -3.795 -7.739 519 3HG1 VAL 70 3HG1 VAL 70 0.317 -5.029 -8.024 520 1HG2 VAL 70 1HG2 VAL 70 -2.612 -4.619 -5.713 521 2HG2 VAL 70 2HG2 VAL 70 -1.707 -5.976 -5.002 522 3HG2 VAL 70 3HG2 VAL 70 -0.845 -4.510 -5.527 523 H THR 71 H THR 71 -2.681 -8.643 -8.575 524 HA THR 71 HA THR 71 -4.442 -9.634 -6.441 525 HB THR 71 HB THR 71 -3.754 -10.549 -9.269 526 HG1 THR 71 HG1 THR 71 -5.780 -9.677 -9.465 527 1HG2 THR 71 1HG2 THR 71 -3.854 -12.523 -7.582 528 2HG2 THR 71 2HG2 THR 71 -5.542 -12.039 -7.290 529 3HG2 THR 71 3HG2 THR 71 -5.036 -12.564 -8.914 530 H LEU 72 H LEU 72 -3.794 -11.137 -4.970 531 HA LEU 72 HA LEU 72 -0.984 -11.962 -5.216 532 1HB LEU 72 1HB LEU 72 -2.612 -11.118 -2.832 533 2HB LEU 72 2HB LEU 72 -1.179 -12.112 -2.655 534 HG LEU 72 HG LEU 72 -0.452 -9.918 -4.310 535 1HD1 LEU 72 1HD1 LEU 72 -2.330 -9.189 -2.104 536 2HD1 LEU 72 2HD1 LEU 72 -0.912 -8.153 -2.390 537 3HD1 LEU 72 3HD1 LEU 72 -2.083 -8.440 -3.699 538 1HD2 LEU 72 1HD2 LEU 72 0.850 -11.324 -2.585 539 2HD2 LEU 72 2HD2 LEU 72 1.237 -9.594 -2.739 540 3HD2 LEU 72 3HD2 LEU 72 0.230 -10.164 -1.387 541 H GLY 73 H GLY 73 -0.607 -14.034 -3.752 542 1HA GLY 73 1HA GLY 73 -2.906 -15.835 -3.821 543 2HA GLY 73 2HA GLY 73 -1.552 -16.232 -4.858 544 H THR 74 H THR 74 0.722 -15.725 -3.500 545 HA THR 74 HA THR 74 0.937 -17.813 -1.699 546 HB THR 74 HB THR 74 2.676 -15.300 -1.810 547 HG1 THR 74 HG1 THR 74 2.604 -15.950 -3.953 548 1HG2 THR 74 1HG2 THR 74 3.323 -18.275 -1.460 549 2HG2 THR 74 2HG2 THR 74 4.509 -16.947 -1.495 550 3HG2 THR 74 3HG2 THR 74 3.349 -17.070 -0.151 551 HA PRO 75 HA PRO 75 -0.749 -16.225 1.930 552 1HB PRO 75 1HB PRO 75 0.037 -18.194 3.655 553 2HB PRO 75 2HB PRO 75 -1.377 -18.328 2.627 554 1HG PRO 75 1HG PRO 75 1.263 -19.627 2.329 555 2HG PRO 75 2HG PRO 75 -0.264 -20.059 1.586 556 1HD PRO 75 1HD PRO 75 1.928 -18.696 0.335 557 2HD PRO 75 2HD PRO 75 0.358 -19.025 -0.372 558 H GLY 76 H GLY 76 -0.306 -14.985 3.756 559 1HA GLY 76 1HA GLY 76 1.737 -14.828 5.359 560 2HA GLY 76 2HA GLY 76 2.546 -14.302 3.896 561 H THR 77 H THR 77 2.667 -12.408 5.708 562 HA THR 77 HA THR 77 0.395 -10.611 5.165 563 HB THR 77 HB THR 77 1.061 -11.515 7.600 564 HG1 THR 77 HG1 THR 77 0.380 -9.254 8.254 565 1HG2 THR 77 1HG2 THR 77 3.479 -10.625 7.312 566 2HG2 THR 77 2HG2 THR 77 2.769 -8.994 7.346 567 3HG2 THR 77 3HG2 THR 77 2.611 -10.063 8.760 568 H TYR 78 H TYR 78 0.767 -8.955 3.842 569 HA TYR 78 HA TYR 78 3.556 -8.317 3.262 570 1HB TYR 78 1HB TYR 78 0.811 -7.603 2.056 571 2HB TYR 78 2HB TYR 78 2.323 -7.040 1.375 572 HD1 TYR 78 HD1 TYR 78 0.781 -10.299 2.441 573 HD2 TYR 78 HD2 TYR 78 3.152 -8.210 -0.443 574 HE1 TYR 78 HE1 TYR 78 0.943 -12.411 1.035 575 HE2 TYR 78 HE2 TYR 78 3.306 -10.329 -1.840 576 HH TYR 78 HH TYR 78 1.307 -12.980 -1.320 577 H SER 79 H SER 79 4.519 -6.431 3.883 578 HA SER 79 HA SER 79 2.732 -4.462 5.086 579 1HB SER 79 1HB SER 79 5.668 -4.753 5.796 580 2HB SER 79 2HB SER 79 4.406 -3.948 6.708 581 HG SER 79 HG SER 79 4.511 -5.841 7.785 582 H PHE 80 H PHE 80 3.097 -2.236 4.571 583 HA PHE 80 HA PHE 80 5.274 -1.678 2.721 584 1HB PHE 80 1HB PHE 80 3.291 -0.297 1.509 585 2HB PHE 80 2HB PHE 80 3.567 -1.981 1.107 586 HD1 PHE 80 HD1 PHE 80 2.251 -3.697 2.657 587 HD2 PHE 80 HD2 PHE 80 1.143 0.353 2.041 588 HE1 PHE 80 HE1 PHE 80 -0.108 -4.241 3.318 589 HE2 PHE 80 HE2 PHE 80 -1.216 -0.191 2.703 590 HZ PHE 80 HZ PHE 80 -1.814 -2.482 3.334 591 H TYR 81 H TYR 81 5.277 0.823 2.233 592 HA TYR 81 HA TYR 81 4.089 2.428 4.303 593 1HB TYR 81 1HB TYR 81 6.368 3.156 5.121 594 2HB TYR 81 2HB TYR 81 6.137 1.440 5.388 595 HD1 TYR 81 HD1 TYR 81 7.581 3.823 2.882 596 HD2 TYR 81 HD2 TYR 81 7.757 -0.071 4.645 597 HE1 TYR 81 HE1 TYR 81 9.718 3.329 1.595 598 HE2 TYR 81 HE2 TYR 81 9.894 -0.553 3.352 599 HH TYR 81 HH TYR 81 11.083 1.704 0.935 600 H CYS 82 H CYS 82 4.905 4.802 4.051 601 HA CYS 82 HA CYS 82 4.892 5.319 1.203 602 1HB CYS 82 1HB CYS 82 3.459 6.443 3.146 603 2HB CYS 82 2HB CYS 82 4.849 7.508 3.230 604 H THR 83 H THR 83 6.541 6.626 0.173 605 HA THR 83 HA THR 83 9.141 6.270 1.326 606 HB THR 83 HB THR 83 7.888 6.915 -1.271 607 HG1 THR 83 HG1 THR 83 10.552 6.039 -0.411 608 1HG2 THR 83 1HG2 THR 83 9.138 9.097 -0.839 609 2HG2 THR 83 2HG2 THR 83 10.617 8.135 -0.605 610 3HG2 THR 83 3HG2 THR 83 9.803 8.147 -2.188 611 HA PRO 84 HA PRO 84 8.913 10.948 1.682 612 1HB PRO 84 1HB PRO 84 6.593 12.288 1.140 613 2HB PRO 84 2HB PRO 84 7.880 12.087 -0.032 614 1HG PRO 84 1HG PRO 84 5.272 10.702 0.112 615 2HG PRO 84 2HG PRO 84 6.370 10.837 -1.248 616 1HD PRO 84 1HD PRO 84 5.999 8.545 0.438 617 2HD PRO 84 2HD PRO 84 7.176 8.721 -0.847 618 H HIS 85 H HIS 85 5.934 9.349 2.543 619 HA HIS 85 HA HIS 85 6.038 10.774 5.088 620 1HB HIS 85 1HB HIS 85 3.804 9.116 3.885 621 2HB HIS 85 2HB HIS 85 3.726 10.015 5.388 622 HD2 HIS 85 HD2 HIS 85 4.331 12.972 4.808 623 HE1 HIS 85 HE1 HIS 85 2.241 12.661 1.113 624 HE2 HIS 85 HE2 HIS 85 3.170 14.249 2.933 625 H ARG 86 H ARG 86 8.035 9.384 5.520 626 HA ARG 86 HA ARG 86 7.287 6.666 6.162 627 1HB ARG 86 1HB ARG 86 9.715 6.263 6.390 628 2HB ARG 86 2HB ARG 86 9.386 7.049 4.859 629 1HG ARG 86 1HG ARG 86 9.933 9.277 5.951 630 2HG ARG 86 2HG ARG 86 10.392 8.409 7.403 631 1HD ARG 86 1HD ARG 86 12.019 7.054 5.893 632 2HD ARG 86 2HD ARG 86 11.710 8.260 4.659 633 HE ARG 86 HE ARG 86 12.469 9.380 7.272 634 1HH1 ARG 86 1HH1 ARG 86 13.612 8.236 4.147 635 2HH1 ARG 86 2HH1 ARG 86 15.105 9.110 4.229 636 1HH2 ARG 86 1HH2 ARG 86 14.439 10.534 7.382 637 2HH2 ARG 86 2HH2 ARG 86 15.578 10.426 6.082 638 H GLY 87 H GLY 87 7.522 9.764 7.585 639 1HA GLY 87 1HA GLY 87 8.080 8.645 10.262 640 2HA GLY 87 2HA GLY 87 8.329 10.311 9.777 641 H ALA 88 H ALA 88 5.735 10.310 8.162 642 HA ALA 88 HA ALA 88 4.085 11.323 10.188 643 1HB ALA 88 1HB ALA 88 3.858 10.708 7.257 644 2HB ALA 88 2HB ALA 88 2.369 11.046 8.171 645 3HB ALA 88 3HB ALA 88 3.672 12.257 8.112 646 H GLY 89 H GLY 89 4.664 8.091 8.951 647 1HA GLY 89 1HA GLY 89 3.995 6.176 10.077 648 2HA GLY 89 2HA GLY 89 2.682 7.054 10.836 649 H MET 90 H MET 90 3.754 6.490 7.399 650 HA MET 90 HA MET 90 0.970 5.843 6.832 651 1HB MET 90 1HB MET 90 3.270 7.000 5.198 652 2HB MET 90 2HB MET 90 1.916 6.252 4.376 653 1HG MET 90 1HG MET 90 0.684 7.932 6.272 654 2HG MET 90 2HG MET 90 2.061 8.870 5.725 655 1HE MET 90 1HE MET 90 -0.363 6.303 4.548 656 2HE MET 90 2HE MET 90 -1.176 6.988 3.119 657 3HE MET 90 3HE MET 90 0.437 6.254 2.958 658 H VAL 91 H VAL 91 1.413 3.628 7.731 659 HA VAL 91 HA VAL 91 2.688 1.979 5.665 660 HB VAL 91 HB VAL 91 3.419 0.476 7.508 661 1HG1 VAL 91 1HG1 VAL 91 4.718 2.556 6.412 662 2HG1 VAL 91 2HG1 VAL 91 4.734 3.081 8.112 663 3HG1 VAL 91 3HG1 VAL 91 5.443 1.513 7.659 664 1HG2 VAL 91 1HG2 VAL 91 2.412 2.762 9.216 665 2HG2 VAL 91 2HG2 VAL 91 2.014 1.031 9.327 666 3HG2 VAL 91 3HG2 VAL 91 3.634 1.602 9.794 667 H GLY 92 H GLY 92 1.669 -0.050 5.261 668 1HA GLY 92 1HA GLY 92 -0.877 -0.499 6.672 669 2HA GLY 92 2HA GLY 92 -0.862 -0.358 4.925 670 H THR 93 H THR 93 -1.652 -2.713 6.483 671 HA THR 93 HA THR 93 0.436 -4.578 5.564 672 HB THR 93 HB THR 93 -1.436 -5.257 7.835 673 HG1 THR 93 HG1 THR 93 0.385 -4.142 9.132 674 1HG2 THR 93 1HG2 THR 93 0.375 -6.846 6.973 675 2HG2 THR 93 2HG2 THR 93 1.580 -5.634 7.471 676 3HG2 THR 93 3HG2 THR 93 0.545 -6.414 8.691 677 H ILE 94 H ILE 94 -0.338 -6.699 4.856 678 HA ILE 94 HA ILE 94 -3.157 -6.844 4.237 679 HB ILE 94 HB ILE 94 -1.028 -6.585 2.122 680 1HG1 ILE 94 1HG1 ILE 94 -3.642 -5.115 2.581 681 2HG1 ILE 94 2HG1 ILE 94 -2.043 -4.496 2.943 682 1HG2 ILE 94 1HG2 ILE 94 -3.218 -8.385 2.098 683 2HG2 ILE 94 2HG2 ILE 94 -3.618 -7.045 0.996 684 3HG2 ILE 94 3HG2 ILE 94 -2.111 -7.964 0.769 685 1HD1 ILE 94 1HD1 ILE 94 -2.683 -5.493 0.151 686 2HD1 ILE 94 2HD1 ILE 94 -3.152 -3.852 0.657 687 3HD1 ILE 94 3HD1 ILE 94 -1.436 -4.329 0.662 688 H THR 95 H THR 95 -3.751 -8.853 4.826 689 HA THR 95 HA THR 95 -1.677 -10.931 4.775 690 HB THR 95 HB THR 95 -4.360 -10.784 6.249 691 HG1 THR 95 HG1 THR 95 -2.753 -10.337 8.026 692 1HG2 THR 95 1HG2 THR 95 -2.156 -12.802 6.060 693 2HG2 THR 95 2HG2 THR 95 -2.665 -12.382 7.713 694 3HG2 THR 95 3HG2 THR 95 -3.852 -13.024 6.553 695 H VAL 96 H VAL 96 -1.983 -12.923 3.772 696 HA VAL 96 HA VAL 96 -4.346 -13.033 2.031 697 HB VAL 96 HB VAL 96 -1.437 -13.397 1.415 698 1HG1 VAL 96 1HG1 VAL 96 -3.701 -14.997 0.321 699 2HG1 VAL 96 2HG1 VAL 96 -2.506 -14.378 -0.844 700 3HG1 VAL 96 3HG1 VAL 96 -1.981 -15.415 0.504 701 1HG2 VAL 96 1HG2 VAL 96 -3.270 -11.406 0.872 702 2HG2 VAL 96 2HG2 VAL 96 -1.739 -11.676 0.005 703 3HG2 VAL 96 3HG2 VAL 96 -3.256 -12.349 -0.637 704 H GLU 97 H GLU 97 -5.190 -14.244 3.972 705 HA GLU 97 HA GLU 97 -3.924 -16.775 4.426 706 1HB GLU 97 1HB GLU 97 -5.210 -15.166 6.120 707 2HB GLU 97 2HB GLU 97 -6.622 -16.039 5.559 708 1HG GLU 97 1HG GLU 97 -5.331 -18.212 6.076 709 2HG GLU 97 2HG GLU 97 -4.135 -17.212 6.877 Start of MODEL 17 1 H ALA 1 H ALA 1 -11.724 -9.397 0.575 2 HA ALA 1 HA ALA 1 -11.451 -11.217 -1.536 3 1HB ALA 1 1HB ALA 1 -14.180 -11.013 -0.232 4 2HB ALA 1 2HB ALA 1 -13.989 -11.434 -1.951 5 3HB ALA 1 3HB ALA 1 -13.276 -12.475 -0.696 6 H SER 2 H SER 2 -10.550 -9.496 -2.661 7 HA SER 2 HA SER 2 -10.509 -7.725 -3.916 8 1HB SER 2 1HB SER 2 -13.547 -7.650 -3.636 9 2HB SER 2 2HB SER 2 -12.618 -6.757 -4.823 10 HG SER 2 HG SER 2 -13.408 -8.673 -5.792 11 H VAL 3 H VAL 3 -9.379 -6.602 -2.169 12 HA VAL 3 HA VAL 3 -11.093 -4.683 -0.749 13 HB VAL 3 HB VAL 3 -8.985 -4.580 0.755 14 1HG1 VAL 3 1HG1 VAL 3 -10.990 -6.844 0.688 15 2HG1 VAL 3 2HG1 VAL 3 -9.820 -6.649 2.016 16 3HG1 VAL 3 3HG1 VAL 3 -11.008 -5.367 1.682 17 1HG2 VAL 3 1HG2 VAL 3 -7.523 -5.900 -0.724 18 2HG2 VAL 3 2HG2 VAL 3 -7.699 -6.660 0.876 19 3HG2 VAL 3 3HG2 VAL 3 -8.593 -7.310 -0.519 20 H GLN 4 H GLN 4 -9.559 -2.660 -0.089 21 HA GLN 4 HA GLN 4 -7.866 -2.004 -2.332 22 1HB GLN 4 1HB GLN 4 -9.061 0.276 -2.492 23 2HB GLN 4 2HB GLN 4 -9.883 -1.102 -3.198 24 1HG GLN 4 1HG GLN 4 -11.078 -1.347 -0.892 25 2HG GLN 4 2HG GLN 4 -10.470 0.259 -0.538 26 1HE2 GLN 4 2HE2 GLN 4 -13.177 -0.431 -0.692 27 2HE2 GLN 4 1HE2 GLN 4 -13.922 0.417 -2.006 28 H ILE 5 H ILE 5 -6.597 0.062 -1.900 29 HA ILE 5 HA ILE 5 -6.400 0.555 0.988 30 HB ILE 5 HB ILE 5 -4.277 -0.179 -0.984 31 1HG1 ILE 5 1HG1 ILE 5 -5.248 -1.877 0.532 32 2HG1 ILE 5 2HG1 ILE 5 -3.528 -1.640 0.772 33 1HG2 ILE 5 1HG2 ILE 5 -3.609 2.030 -0.151 34 2HG2 ILE 5 2HG2 ILE 5 -3.788 1.451 1.523 35 3HG2 ILE 5 3HG2 ILE 5 -2.546 0.740 0.463 36 1HD1 ILE 5 1HD1 ILE 5 -5.090 0.190 2.453 37 2HD1 ILE 5 2HD1 ILE 5 -5.519 -1.512 2.752 38 3HD1 ILE 5 3HD1 ILE 5 -3.829 -0.976 2.921 39 H LYS 6 H LYS 6 -6.818 2.638 1.461 40 HA LYS 6 HA LYS 6 -6.566 4.566 -0.722 41 1HB LYS 6 1HB LYS 6 -8.403 4.199 1.548 42 2HB LYS 6 2HB LYS 6 -7.849 5.850 1.356 43 1HG LYS 6 1HG LYS 6 -8.539 5.836 -1.029 44 2HG LYS 6 2HG LYS 6 -9.020 4.156 -0.902 45 1HD LYS 6 1HD LYS 6 -10.987 4.660 0.173 46 2HD LYS 6 2HD LYS 6 -10.249 5.906 1.160 47 1HE LYS 6 1HE LYS 6 -11.257 7.442 -0.176 48 2HE LYS 6 2HE LYS 6 -10.141 6.974 -1.444 49 1HZ LYS 6 1HZ LYS 6 -12.017 5.048 -1.517 50 2HZ LYS 6 2HZ LYS 6 -12.902 6.378 -1.181 51 3HZ LYS 6 3HZ LYS 6 -11.955 6.342 -2.512 52 H MET 7 H MET 7 -5.002 6.108 -0.724 53 HA MET 7 HA MET 7 -3.278 6.122 1.609 54 1HB MET 7 1HB MET 7 -2.990 6.781 -1.336 55 2HB MET 7 2HB MET 7 -1.906 7.584 -0.217 56 1HG MET 7 1HG MET 7 -1.163 5.377 0.675 57 2HG MET 7 2HG MET 7 -2.280 4.554 -0.394 58 1HE MET 7 1HE MET 7 -2.351 5.754 -2.992 59 2HE MET 7 2HE MET 7 -0.913 5.269 -3.922 60 3HE MET 7 3HE MET 7 -1.792 4.065 -2.949 61 H GLY 8 H GLY 8 -3.988 7.610 3.109 62 1HA GLY 8 1HA GLY 8 -3.821 9.899 3.731 63 2HA GLY 8 2HA GLY 8 -4.364 10.369 2.133 64 H THR 9 H THR 9 -5.466 10.996 4.886 65 HA THR 9 HA THR 9 -8.142 9.811 4.546 66 HB THR 9 HB THR 9 -8.224 10.687 7.064 67 HG1 THR 9 HG1 THR 9 -6.038 11.717 6.599 68 1HG2 THR 9 1HG2 THR 9 -6.692 8.270 6.022 69 2HG2 THR 9 2HG2 THR 9 -6.795 8.596 7.769 70 3HG2 THR 9 3HG2 THR 9 -8.279 8.307 6.829 71 H ASP 10 H ASP 10 -9.977 11.273 5.231 72 HA ASP 10 HA ASP 10 -9.891 13.520 3.629 73 1HB ASP 10 1HB ASP 10 -11.896 12.108 4.616 74 2HB ASP 10 2HB ASP 10 -11.804 13.220 5.967 75 H LYS 11 H LYS 11 -8.622 12.916 6.770 76 HA LYS 11 HA LYS 11 -8.933 15.657 7.681 77 1HB LYS 11 1HB LYS 11 -8.248 13.044 8.905 78 2HB LYS 11 2HB LYS 11 -7.406 14.430 9.568 79 1HG LYS 11 1HG LYS 11 -9.328 15.360 10.448 80 2HG LYS 11 2HG LYS 11 -10.325 14.847 9.102 81 1HD LYS 11 1HD LYS 11 -9.917 12.411 10.074 82 2HD LYS 11 2HD LYS 11 -9.490 13.262 11.546 83 1HE LYS 11 1HE LYS 11 -11.678 13.600 12.034 84 2HE LYS 11 2HE LYS 11 -11.922 14.437 10.515 85 1HZ LYS 11 1HZ LYS 11 -11.803 11.886 9.745 86 2HZ LYS 11 2HZ LYS 11 -12.529 11.736 11.199 87 3HZ LYS 11 3HZ LYS 11 -13.188 12.693 10.052 88 H TYR 12 H TYR 12 -7.519 15.342 5.216 89 HA TYR 12 HA TYR 12 -5.517 15.639 4.243 90 1HB TYR 12 1HB TYR 12 -6.218 17.680 6.266 91 2HB TYR 12 2HB TYR 12 -4.478 17.615 6.065 92 HD1 TYR 12 HD1 TYR 12 -7.407 17.403 3.714 93 HD2 TYR 12 HD2 TYR 12 -3.691 19.290 4.679 94 HE1 TYR 12 HE1 TYR 12 -7.589 18.845 1.627 95 HE2 TYR 12 HE2 TYR 12 -3.886 20.725 2.588 96 HH TYR 12 HH TYR 12 -6.806 20.796 0.717 97 H ALA 13 H ALA 13 -5.486 13.542 6.388 98 HA ALA 13 HA ALA 13 -2.753 13.887 7.385 99 1HB ALA 13 1HB ALA 13 -5.031 13.161 8.703 100 2HB ALA 13 2HB ALA 13 -4.395 11.564 8.240 101 3HB ALA 13 3HB ALA 13 -3.393 12.675 9.204 102 HA PRO 14 HA PRO 14 -1.697 11.108 4.165 103 1HB PRO 14 1HB PRO 14 1.015 11.322 4.420 104 2HB PRO 14 2HB PRO 14 0.054 12.426 3.457 105 1HG PRO 14 1HG PRO 14 1.287 12.869 6.107 106 2HG PRO 14 2HG PRO 14 0.701 14.054 4.956 107 1HD PRO 14 1HD PRO 14 -0.608 13.205 7.363 108 2HD PRO 14 2HD PRO 14 -1.245 14.303 6.155 109 H LEU 15 H LEU 15 -2.710 9.319 5.195 110 HA LEU 15 HA LEU 15 -0.652 7.559 6.245 111 1HB LEU 15 1HB LEU 15 -1.999 6.923 8.169 112 2HB LEU 15 2HB LEU 15 -1.482 8.596 8.240 113 HG LEU 15 HG LEU 15 -3.974 8.785 7.049 114 1HD1 LEU 15 1HD1 LEU 15 -3.975 6.505 9.027 115 2HD1 LEU 15 2HD1 LEU 15 -5.424 7.486 8.703 116 3HD1 LEU 15 3HD1 LEU 15 -4.661 6.564 7.386 117 1HD2 LEU 15 1HD2 LEU 15 -2.987 10.235 8.796 118 2HD2 LEU 15 2HD2 LEU 15 -4.679 9.792 9.127 119 3HD2 LEU 15 3HD2 LEU 15 -3.359 8.986 10.009 120 H TYR 16 H TYR 16 -1.252 5.286 6.088 121 HA TYR 16 HA TYR 16 -2.878 4.821 3.789 122 1HB TYR 16 1HB TYR 16 -1.174 3.320 5.817 123 2HB TYR 16 2HB TYR 16 -2.273 2.364 4.843 124 HD1 TYR 16 HD1 TYR 16 -2.153 3.509 2.193 125 HD2 TYR 16 HD2 TYR 16 0.996 3.028 5.050 126 HE1 TYR 16 HE1 TYR 16 -0.443 3.471 0.313 127 HE2 TYR 16 HE2 TYR 16 2.695 2.991 3.160 128 HH TYR 16 HH TYR 16 3.019 3.343 1.028 129 H GLU 17 H GLU 17 -4.902 3.852 3.633 130 HA GLU 17 HA GLU 17 -6.111 2.961 6.098 131 1HB GLU 17 1HB GLU 17 -6.641 5.454 5.701 132 2HB GLU 17 2HB GLU 17 -7.569 4.940 4.305 133 1HG GLU 17 1HG GLU 17 -9.060 3.595 5.690 134 2HG GLU 17 2HG GLU 17 -8.037 3.803 7.097 135 HA PRO 18 HA PRO 18 -7.400 1.871 6.712 136 1HB PRO 18 1HB PRO 18 -7.639 -0.789 7.293 137 2HB PRO 18 2HB PRO 18 -9.016 0.264 7.038 138 1HG PRO 18 1HG PRO 18 -7.887 -1.780 5.227 139 2HG PRO 18 2HG PRO 18 -9.471 -1.034 5.187 140 1HD PRO 18 1HD PRO 18 -7.249 -0.434 3.476 141 2HD PRO 18 2HD PRO 18 -8.794 0.391 3.514 142 H LYS 19 H LYS 19 -6.106 0.922 8.585 143 HA LYS 19 HA LYS 19 -3.394 1.022 7.705 144 1HB LYS 19 1HB LYS 19 -4.774 1.622 10.046 145 2HB LYS 19 2HB LYS 19 -3.841 0.203 10.476 146 1HG LYS 19 1HG LYS 19 -1.761 1.267 9.704 147 2HG LYS 19 2HG LYS 19 -2.649 2.642 9.079 148 1HD LYS 19 1HD LYS 19 -3.028 3.547 11.189 149 2HD LYS 19 2HD LYS 19 -3.087 1.981 11.973 150 1HE LYS 19 1HE LYS 19 -0.786 1.878 12.270 151 2HE LYS 19 2HE LYS 19 -0.442 2.745 10.787 152 1HZ LYS 19 1HZ LYS 19 -1.445 4.715 12.011 153 2HZ LYS 19 2HZ LYS 19 -1.229 3.842 13.374 154 3HZ LYS 19 3HZ LYS 19 0.055 4.235 12.445 155 H ALA 20 H ALA 20 -5.707 -1.490 8.802 156 HA ALA 20 HA ALA 20 -3.653 -3.480 8.115 157 1HB ALA 20 1HB ALA 20 -4.472 -3.181 10.592 158 2HB ALA 20 2HB ALA 20 -5.934 -4.018 10.017 159 3HB ALA 20 3HB ALA 20 -4.348 -4.817 9.902 160 H LEU 21 H LEU 21 -4.314 -5.251 6.827 161 HA LEU 21 HA LEU 21 -7.095 -5.291 5.987 162 1HB LEU 21 1HB LEU 21 -6.380 -3.866 4.328 163 2HB LEU 21 2HB LEU 21 -4.777 -4.569 4.248 164 HG LEU 21 HG LEU 21 -5.732 -6.587 3.160 165 1HD1 LEU 21 1HD1 LEU 21 -8.127 -5.811 4.179 166 2HD1 LEU 21 2HD1 LEU 21 -8.282 -5.257 2.495 167 3HD1 LEU 21 3HD1 LEU 21 -7.924 -6.966 2.839 168 1HD2 LEU 21 1HD2 LEU 21 -5.509 -3.924 2.047 169 2HD2 LEU 21 2HD2 LEU 21 -5.034 -5.494 1.358 170 3HD2 LEU 21 3HD2 LEU 21 -6.698 -4.898 1.149 171 H SER 22 H SER 22 -7.797 -7.355 5.345 172 HA SER 22 HA SER 22 -5.726 -9.397 5.410 173 1HB SER 22 1HB SER 22 -7.038 -9.203 7.610 174 2HB SER 22 2HB SER 22 -8.456 -9.725 6.722 175 HG SER 22 HG SER 22 -6.304 -11.395 6.218 176 H ILE 23 H ILE 23 -6.129 -11.221 4.023 177 HA ILE 23 HA ILE 23 -8.637 -11.351 2.620 178 HB ILE 23 HB ILE 23 -7.725 -11.072 0.412 179 1HG1 ILE 23 1HG1 ILE 23 -5.110 -10.097 1.547 180 2HG1 ILE 23 2HG1 ILE 23 -5.355 -11.799 1.208 181 1HG2 ILE 23 1HG2 ILE 23 -8.642 -9.113 1.639 182 2HG2 ILE 23 2HG2 ILE 23 -6.983 -8.680 2.114 183 3HG2 ILE 23 3HG2 ILE 23 -7.443 -8.683 0.395 184 1HD1 ILE 23 1HD1 ILE 23 -6.341 -10.326 -1.058 185 2HD1 ILE 23 2HD1 ILE 23 -4.730 -9.692 -0.645 186 3HD1 ILE 23 3HD1 ILE 23 -4.945 -11.427 -0.983 187 H SER 24 H SER 24 -8.110 -13.149 0.672 188 HA SER 24 HA SER 24 -6.711 -15.250 2.135 189 1HB SER 24 1HB SER 24 -9.018 -15.646 0.186 190 2HB SER 24 2HB SER 24 -8.298 -16.859 1.226 191 HG SER 24 HG SER 24 -9.830 -16.298 2.613 192 H ALA 25 H ALA 25 -6.012 -17.117 0.528 193 HA ALA 25 HA ALA 25 -4.284 -15.946 -1.366 194 1HB ALA 25 1HB ALA 25 -4.936 -18.627 -0.290 195 2HB ALA 25 2HB ALA 25 -4.333 -18.626 -1.965 196 3HB ALA 25 3HB ALA 25 -3.356 -17.898 -0.667 197 H GLY 26 H GLY 26 -5.132 -14.900 -3.123 198 1HA GLY 26 1HA GLY 26 -5.823 -15.577 -5.410 199 2HA GLY 26 2HA GLY 26 -7.201 -16.355 -4.660 200 H ASP 27 H ASP 27 -6.758 -13.798 -2.645 201 HA ASP 27 HA ASP 27 -8.888 -12.377 -3.850 202 1HB ASP 27 1HB ASP 27 -7.219 -12.100 -1.341 203 2HB ASP 27 2HB ASP 27 -8.214 -10.746 -1.839 204 H THR 28 H THR 28 -8.558 -9.741 -3.718 205 HA THR 28 HA THR 28 -5.935 -9.108 -4.894 206 HB THR 28 HB THR 28 -8.660 -8.096 -5.861 207 HG1 THR 28 HG1 THR 28 -7.883 -9.617 -7.684 208 1HG2 THR 28 1HG2 THR 28 -6.536 -6.710 -6.367 209 2HG2 THR 28 2HG2 THR 28 -5.948 -8.127 -7.271 210 3HG2 THR 28 3HG2 THR 28 -7.432 -7.292 -7.790 211 H VAL 29 H VAL 29 -5.329 -6.814 -4.743 212 HA VAL 29 HA VAL 29 -6.769 -5.413 -2.619 213 HB VAL 29 HB VAL 29 -3.830 -6.103 -2.676 214 1HG1 VAL 29 1HG1 VAL 29 -4.943 -3.649 -1.856 215 2HG1 VAL 29 2HG1 VAL 29 -4.626 -4.561 -0.360 216 3HG1 VAL 29 3HG1 VAL 29 -3.308 -4.267 -1.520 217 1HG2 VAL 29 1HG2 VAL 29 -5.728 -7.609 -1.635 218 2HG2 VAL 29 2HG2 VAL 29 -4.193 -7.351 -0.769 219 3HG2 VAL 29 3HG2 VAL 29 -5.642 -6.427 -0.305 220 H GLU 30 H GLU 30 -7.434 -3.554 -3.559 221 HA GLU 30 HA GLU 30 -5.880 -2.519 -5.743 222 1HB GLU 30 1HB GLU 30 -8.433 -2.684 -5.727 223 2HB GLU 30 2HB GLU 30 -8.444 -1.388 -4.548 224 1HG GLU 30 1HG GLU 30 -7.683 0.215 -6.082 225 2HG GLU 30 2HG GLU 30 -6.845 -0.966 -7.069 226 H PHE 31 H PHE 31 -5.573 -0.006 -5.798 227 HA PHE 31 HA PHE 31 -5.095 1.076 -3.145 228 1HB PHE 31 1HB PHE 31 -3.070 0.598 -5.403 229 2HB PHE 31 2HB PHE 31 -2.767 1.792 -4.157 230 HD1 PHE 31 HD1 PHE 31 -3.183 -1.807 -4.808 231 HD2 PHE 31 HD2 PHE 31 -2.087 1.140 -1.959 232 HE1 PHE 31 HE1 PHE 31 -2.217 -3.593 -3.332 233 HE2 PHE 31 HE2 PHE 31 -1.121 -0.645 -0.482 234 HZ PHE 31 HZ PHE 31 -1.197 -2.990 -1.187 235 H VAL 32 H VAL 32 -5.607 3.231 -3.052 236 HA VAL 32 HA VAL 32 -5.597 4.720 -5.566 237 HB VAL 32 HB VAL 32 -7.879 3.717 -4.968 238 1HG1 VAL 32 1HG1 VAL 32 -7.614 5.812 -2.797 239 2HG1 VAL 32 2HG1 VAL 32 -9.184 5.195 -3.364 240 3HG1 VAL 32 3HG1 VAL 32 -8.008 4.085 -2.623 241 1HG2 VAL 32 1HG2 VAL 32 -7.099 6.264 -6.041 242 2HG2 VAL 32 2HG2 VAL 32 -8.494 5.245 -6.469 243 3HG2 VAL 32 3HG2 VAL 32 -8.639 6.449 -5.168 244 H MET 33 H MET 33 -5.539 7.087 -5.217 245 HA MET 33 HA MET 33 -4.166 7.623 -2.716 246 1HB MET 33 1HB MET 33 -3.782 8.361 -5.485 247 2HB MET 33 2HB MET 33 -4.133 9.838 -4.610 248 1HG MET 33 1HG MET 33 -2.345 8.548 -2.895 249 2HG MET 33 2HG MET 33 -1.736 8.095 -4.474 250 1HE MET 33 1HE MET 33 -3.545 10.784 -2.758 251 2HE MET 33 2HE MET 33 -2.401 12.141 -2.639 252 3HE MET 33 3HE MET 33 -3.455 11.989 -4.064 253 H ASN 34 H ASN 34 -5.604 8.265 -1.142 254 HA ASN 34 HA ASN 34 -8.037 9.415 -1.642 255 1HB ASN 34 1HB ASN 34 -6.313 8.892 0.676 256 2HB ASN 34 2HB ASN 34 -7.155 10.414 0.882 257 1HD2 ASN 34 2HD2 ASN 34 -8.937 10.216 1.982 258 2HD2 ASN 34 1HD2 ASN 34 -10.080 8.915 1.918 259 H LYS 35 H LYS 35 -5.185 11.066 -0.069 260 HA LYS 35 HA LYS 35 -5.103 13.210 -1.859 261 1HB LYS 35 1HB LYS 35 -6.226 14.957 -0.765 262 2HB LYS 35 2HB LYS 35 -7.361 13.622 -0.762 263 1HG LYS 35 1HG LYS 35 -5.862 13.258 1.606 264 2HG LYS 35 2HG LYS 35 -6.097 14.991 1.512 265 1HD LYS 35 1HD LYS 35 -8.594 13.756 0.789 266 2HD LYS 35 2HD LYS 35 -8.018 12.950 2.234 267 1HE LYS 35 1HE LYS 35 -8.358 14.795 3.549 268 2HE LYS 35 2HE LYS 35 -7.670 15.885 2.361 269 1HZ LYS 35 1HZ LYS 35 -9.983 15.073 1.234 270 2HZ LYS 35 2HZ LYS 35 -10.385 15.218 2.808 271 3HZ LYS 35 3HZ LYS 35 -9.750 16.491 2.008 272 H VAL 36 H VAL 36 -4.244 15.236 0.012 273 HA VAL 36 HA VAL 36 -2.294 15.844 0.889 274 HB VAL 36 HB VAL 36 -3.560 14.968 2.816 275 1HG1 VAL 36 1HG1 VAL 36 -2.061 12.418 2.170 276 2HG1 VAL 36 2HG1 VAL 36 -2.752 12.749 3.777 277 3HG1 VAL 36 3HG1 VAL 36 -3.815 12.657 2.352 278 1HG2 VAL 36 1HG2 VAL 36 -0.879 15.672 2.683 279 2HG2 VAL 36 2HG2 VAL 36 -1.868 15.566 4.160 280 3HG2 VAL 36 3HG2 VAL 36 -0.868 14.181 3.656 281 H GLY 37 H GLY 37 -1.925 14.501 -1.526 282 1HA GLY 37 1HA GLY 37 0.152 12.496 -1.117 283 2HA GLY 37 2HA GLY 37 -0.563 13.005 -2.634 284 HA PRO 38 HA PRO 38 0.671 12.589 -3.865 285 1HB PRO 38 1HB PRO 38 2.995 11.870 -5.112 286 2HB PRO 38 2HB PRO 38 1.903 13.085 -5.747 287 1HG PRO 38 1HG PRO 38 4.510 13.457 -4.402 288 2HG PRO 38 2HG PRO 38 3.620 14.587 -5.403 289 1HD PRO 38 1HD PRO 38 3.823 14.620 -2.543 290 2HD PRO 38 2HD PRO 38 2.841 15.678 -3.536 291 H HIS 39 H HIS 39 1.221 10.195 -4.208 292 HA HIS 39 HA HIS 39 2.714 9.272 -1.884 293 1HB HIS 39 1HB HIS 39 -0.067 8.295 -2.591 294 2HB HIS 39 2HB HIS 39 0.958 7.659 -1.319 295 HD2 HIS 39 HD2 HIS 39 -1.892 10.042 -1.589 296 HE1 HIS 39 HE1 HIS 39 0.351 11.478 1.729 297 HE2 HIS 39 HE2 HIS 39 -1.868 11.625 0.408 298 H ASN 40 H ASN 40 2.778 6.657 -2.098 299 HA ASN 40 HA ASN 40 2.761 5.794 -4.802 300 1HB ASN 40 1HB ASN 40 5.301 5.085 -4.548 301 2HB ASN 40 2HB ASN 40 4.923 6.715 -5.070 302 1HD2 ASN 40 2HD2 ASN 40 7.249 6.731 -4.184 303 2HD2 ASN 40 1HD2 ASN 40 7.446 7.255 -2.546 304 H VAL 41 H VAL 41 3.733 3.395 -4.824 305 HA VAL 41 HA VAL 41 3.099 2.177 -2.225 306 HB VAL 41 HB VAL 41 2.646 1.228 -5.056 307 1HG1 VAL 41 1HG1 VAL 41 2.499 -0.293 -2.445 308 2HG1 VAL 41 2HG1 VAL 41 1.598 -0.794 -3.896 309 3HG1 VAL 41 3HG1 VAL 41 3.376 -0.722 -3.934 310 1HG2 VAL 41 1HG2 VAL 41 1.008 2.840 -3.998 311 2HG2 VAL 41 2HG2 VAL 41 0.319 1.285 -4.525 312 3HG2 VAL 41 3HG2 VAL 41 0.651 1.571 -2.800 313 H ILE 42 H ILE 42 4.947 1.606 -1.198 314 HA ILE 42 HA ILE 42 6.943 0.197 -2.803 315 HB ILE 42 HB ILE 42 7.591 2.370 -0.809 316 1HG1 ILE 42 1HG1 ILE 42 6.563 3.157 -2.984 317 2HG1 ILE 42 2HG1 ILE 42 8.146 3.801 -2.597 318 1HG2 ILE 42 1HG2 ILE 42 9.361 0.686 -2.602 319 2HG2 ILE 42 2HG2 ILE 42 9.901 2.077 -1.630 320 3HG2 ILE 42 3HG2 ILE 42 9.266 0.621 -0.825 321 1HD1 ILE 42 1HD1 ILE 42 9.194 2.042 -4.062 322 2HD1 ILE 42 2HD1 ILE 42 7.560 1.496 -4.510 323 3HD1 ILE 42 3HD1 ILE 42 8.104 3.132 -4.952 324 H PHE 43 H PHE 43 6.228 -1.797 -1.977 325 HA PHE 43 HA PHE 43 5.590 -2.267 0.671 326 1HB PHE 43 1HB PHE 43 6.850 -3.975 -1.555 327 2HB PHE 43 2HB PHE 43 6.250 -4.678 -0.065 328 HD1 PHE 43 HD1 PHE 43 5.287 -3.001 -3.187 329 HD2 PHE 43 HD2 PHE 43 3.888 -4.924 0.328 330 HE1 PHE 43 HE1 PHE 43 2.991 -3.167 -4.190 331 HE2 PHE 43 HE2 PHE 43 1.593 -5.089 -0.674 332 HZ PHE 43 HZ PHE 43 1.173 -4.208 -2.922 333 H ASP 44 H ASP 44 6.844 -3.758 2.201 334 HA ASP 44 HA ASP 44 9.529 -2.691 2.363 335 1HB ASP 44 1HB ASP 44 7.660 -2.800 4.275 336 2HB ASP 44 2HB ASP 44 8.252 -4.436 4.480 337 H LYS 45 H LYS 45 7.654 -5.799 2.688 338 HA LYS 45 HA LYS 45 9.250 -7.352 1.135 339 1HB LYS 45 1HB LYS 45 10.586 -6.737 3.632 340 2HB LYS 45 2HB LYS 45 10.284 -8.459 3.510 341 1HG LYS 45 1HG LYS 45 11.143 -7.973 0.960 342 2HG LYS 45 2HG LYS 45 12.012 -6.705 1.802 343 1HD LYS 45 1HD LYS 45 13.265 -8.218 3.093 344 2HD LYS 45 2HD LYS 45 12.054 -9.480 2.990 345 1HE LYS 45 1HE LYS 45 13.737 -10.278 1.542 346 2HE LYS 45 2HE LYS 45 12.611 -9.530 0.428 347 1HZ LYS 45 1HZ LYS 45 14.011 -7.490 0.673 348 2HZ LYS 45 2HZ LYS 45 15.127 -8.412 1.431 349 3HZ LYS 45 3HZ LYS 45 14.715 -8.733 -0.117 350 H VAL 46 H VAL 46 8.503 -9.537 1.095 351 HA VAL 46 HA VAL 46 6.427 -10.142 3.069 352 HB VAL 46 HB VAL 46 4.880 -10.786 1.406 353 1HG1 VAL 46 1HG1 VAL 46 6.159 -8.100 0.922 354 2HG1 VAL 46 2HG1 VAL 46 4.758 -8.627 -0.041 355 3HG1 VAL 46 3HG1 VAL 46 4.621 -8.491 1.729 356 1HG2 VAL 46 1HG2 VAL 46 7.202 -10.518 -0.494 357 2HG2 VAL 46 2HG2 VAL 46 6.067 -11.872 -0.276 358 3HG2 VAL 46 3HG2 VAL 46 5.530 -10.382 -1.087 359 HA PRO 47 HA PRO 47 8.313 -14.027 3.036 360 1HB PRO 47 1HB PRO 47 6.284 -15.670 3.844 361 2HB PRO 47 2HB PRO 47 7.209 -14.675 4.951 362 1HG PRO 47 1HG PRO 47 4.456 -14.270 3.952 363 2HG PRO 47 2HG PRO 47 5.234 -13.553 5.349 364 1HD PRO 47 1HD PRO 47 4.744 -12.289 2.821 365 2HD PRO 47 2HD PRO 47 5.624 -11.614 4.178 366 H ALA 48 H ALA 48 8.380 -16.288 2.174 367 HA ALA 48 HA ALA 48 8.028 -17.746 0.525 368 1HB ALA 48 1HB ALA 48 5.556 -16.775 0.761 369 2HB ALA 48 2HB ALA 48 5.937 -16.067 -0.827 370 3HB ALA 48 3HB ALA 48 6.009 -17.831 -0.599 371 H GLY 49 H GLY 49 7.918 -17.623 -2.149 372 1HA GLY 49 1HA GLY 49 10.177 -15.907 -2.796 373 2HA GLY 49 2HA GLY 49 9.505 -17.205 -3.761 374 H GLU 50 H GLU 50 7.802 -14.389 -2.250 375 HA GLU 50 HA GLU 50 6.502 -13.895 -4.725 376 1HB GLU 50 1HB GLU 50 5.878 -13.462 -2.061 377 2HB GLU 50 2HB GLU 50 6.275 -11.840 -2.594 378 1HG GLU 50 1HG GLU 50 4.626 -13.219 -4.591 379 2HG GLU 50 2HG GLU 50 3.841 -13.224 -3.025 380 H SER 51 H SER 51 6.290 -11.119 -4.909 381 HA SER 51 HA SER 51 9.074 -10.348 -5.320 382 1HB SER 51 1HB SER 51 6.921 -9.167 -7.048 383 2HB SER 51 2HB SER 51 8.598 -9.499 -7.433 384 HG SER 51 HG SER 51 7.963 -11.852 -7.303 385 H ALA 52 H ALA 52 8.804 -9.450 -3.060 386 HA ALA 52 HA ALA 52 6.921 -7.344 -2.670 387 1HB ALA 52 1HB ALA 52 8.444 -9.031 -1.070 388 2HB ALA 52 2HB ALA 52 9.233 -7.449 -0.858 389 3HB ALA 52 3HB ALA 52 7.498 -7.633 -0.505 390 HA PRO 53 HA PRO 53 10.828 -4.758 -3.329 391 1HB PRO 53 1HB PRO 53 13.119 -5.932 -4.248 392 2HB PRO 53 2HB PRO 53 12.810 -5.634 -2.550 393 1HG PRO 53 1HG PRO 53 12.703 -8.189 -4.033 394 2HG PRO 53 2HG PRO 53 12.819 -7.927 -2.303 395 1HD PRO 53 1HD PRO 53 10.476 -8.694 -3.769 396 2HD PRO 53 2HD PRO 53 10.567 -8.320 -2.060 397 H ALA 54 H ALA 54 9.343 -6.803 -5.360 398 HA ALA 54 HA ALA 54 10.377 -5.379 -7.710 399 1HB ALA 54 1HB ALA 54 10.017 -8.111 -7.206 400 2HB ALA 54 2HB ALA 54 8.629 -7.664 -8.225 401 3HB ALA 54 3HB ALA 54 10.286 -7.352 -8.793 402 H LEU 55 H LEU 55 7.432 -6.411 -5.906 403 HA LEU 55 HA LEU 55 5.585 -5.284 -7.669 404 1HB LEU 55 1HB LEU 55 5.607 -6.247 -4.863 405 2HB LEU 55 2HB LEU 55 4.297 -5.175 -5.317 406 HG LEU 55 HG LEU 55 4.965 -7.657 -6.905 407 1HD1 LEU 55 1HD1 LEU 55 4.513 -8.228 -4.514 408 2HD1 LEU 55 2HD1 LEU 55 2.909 -7.475 -4.690 409 3HD1 LEU 55 3HD1 LEU 55 3.335 -8.901 -5.668 410 1HD2 LEU 55 1HD2 LEU 55 3.561 -5.805 -7.911 411 2HD2 LEU 55 2HD2 LEU 55 2.819 -7.423 -7.871 412 3HD2 LEU 55 3HD2 LEU 55 2.332 -6.191 -6.682 413 H SER 56 H SER 56 7.550 -3.922 -5.007 414 HA SER 56 HA SER 56 6.217 -1.585 -4.632 415 1HB SER 56 1HB SER 56 8.818 -0.773 -4.352 416 2HB SER 56 2HB SER 56 7.932 -1.669 -3.133 417 HG SER 56 HG SER 56 9.566 -3.054 -3.349 418 H ASN 57 H ASN 57 5.799 0.192 -5.905 419 HA ASN 57 HA ASN 57 7.518 0.509 -8.239 420 1HB ASN 57 1HB ASN 57 4.690 0.043 -8.141 421 2HB ASN 57 2HB ASN 57 4.884 1.724 -8.592 422 1HD2 ASN 57 2HD2 ASN 57 3.783 0.004 -10.345 423 2HD2 ASN 57 1HD2 ASN 57 4.836 -0.314 -11.682 424 H THR 58 H THR 58 8.534 2.527 -8.256 425 HA THR 58 HA THR 58 7.621 4.506 -6.319 426 HB THR 58 HB THR 58 10.042 3.703 -6.507 427 HG1 THR 58 HG1 THR 58 9.194 6.445 -7.091 428 1HG2 THR 58 1HG2 THR 58 10.071 3.695 -9.079 429 2HG2 THR 58 2HG2 THR 58 10.028 5.474 -9.001 430 3HG2 THR 58 3HG2 THR 58 11.411 4.586 -8.318 431 H LYS 59 H LYS 59 5.908 3.980 -8.609 432 HA LYS 59 HA LYS 59 6.369 6.317 -10.282 433 1HB LYS 59 1HB LYS 59 5.834 4.102 -11.298 434 2HB LYS 59 2HB LYS 59 4.269 4.141 -10.509 435 1HG LYS 59 1HG LYS 59 4.017 6.504 -11.664 436 2HG LYS 59 2HG LYS 59 5.321 5.958 -12.699 437 1HD LYS 59 1HD LYS 59 3.979 3.906 -13.273 438 2HD LYS 59 2HD LYS 59 2.666 4.504 -12.278 439 1HE LYS 59 1HE LYS 59 2.594 6.593 -13.721 440 2HE LYS 59 2HE LYS 59 3.808 5.873 -14.759 441 1HZ LYS 59 1HZ LYS 59 2.208 3.952 -14.927 442 2HZ LYS 59 2HZ LYS 59 1.078 4.942 -14.285 443 3HZ LYS 59 3HZ LYS 59 1.788 5.325 -15.705 444 H LEU 60 H LEU 60 6.026 7.324 -7.870 445 HA LEU 60 HA LEU 60 3.577 7.525 -6.729 446 1HB LEU 60 1HB LEU 60 4.350 9.430 -5.664 447 2HB LEU 60 2HB LEU 60 5.795 8.504 -6.013 448 HG LEU 60 HG LEU 60 5.953 10.016 -8.142 449 1HD1 LEU 60 1HD1 LEU 60 3.576 11.001 -7.225 450 2HD1 LEU 60 2HD1 LEU 60 4.733 12.191 -6.580 451 3HD1 LEU 60 3HD1 LEU 60 4.684 11.854 -8.327 452 1HD2 LEU 60 1HD2 LEU 60 6.700 10.621 -5.314 453 2HD2 LEU 60 2HD2 LEU 60 7.726 10.256 -6.721 454 3HD2 LEU 60 3HD2 LEU 60 6.982 11.865 -6.556 455 H ALA 61 H ALA 61 1.647 8.606 -7.081 456 HA ALA 61 HA ALA 61 1.411 9.791 -9.752 457 1HB ALA 61 1HB ALA 61 -0.071 7.827 -8.387 458 2HB ALA 61 2HB ALA 61 -1.086 9.287 -8.335 459 3HB ALA 61 3HB ALA 61 -0.523 8.650 -9.899 460 H ILE 62 H ILE 62 1.311 11.972 -9.888 461 HA ILE 62 HA ILE 62 1.034 13.497 -7.477 462 HB ILE 62 HB ILE 62 1.270 14.405 -10.347 463 1HG1 ILE 62 1HG1 ILE 62 3.121 12.899 -9.651 464 2HG1 ILE 62 2HG1 ILE 62 3.640 14.528 -10.031 465 1HG2 ILE 62 1HG2 ILE 62 0.998 15.807 -7.799 466 2HG2 ILE 62 2HG2 ILE 62 2.452 16.289 -8.706 467 3HG2 ILE 62 3HG2 ILE 62 0.848 16.409 -9.467 468 1HD1 ILE 62 1HD1 ILE 62 3.567 15.083 -7.565 469 2HD1 ILE 62 2HD1 ILE 62 3.193 13.373 -7.242 470 3HD1 ILE 62 3HD1 ILE 62 4.751 13.820 -7.978 471 H ALA 63 H ALA 63 -0.870 12.939 -10.501 472 HA ALA 63 HA ALA 63 -3.027 14.555 -9.465 473 1HB ALA 63 1HB ALA 63 -2.336 14.521 -11.880 474 2HB ALA 63 2HB ALA 63 -2.873 12.826 -11.966 475 3HB ALA 63 3HB ALA 63 -4.050 14.117 -11.624 476 HA PRO 64 HA PRO 64 -5.142 11.238 -7.663 477 1HB PRO 64 1HB PRO 64 -7.681 12.244 -7.563 478 2HB PRO 64 2HB PRO 64 -6.438 12.662 -6.399 479 1HG PRO 64 1HG PRO 64 -7.506 14.279 -8.631 480 2HG PRO 64 2HG PRO 64 -6.600 14.808 -7.229 481 1HD PRO 64 1HD PRO 64 -5.600 14.495 -9.898 482 2HD PRO 64 2HD PRO 64 -4.669 14.910 -8.473 483 H GLY 65 H GLY 65 -6.874 9.588 -7.883 484 1HA GLY 65 1HA GLY 65 -8.517 9.262 -9.989 485 2HA GLY 65 2HA GLY 65 -6.962 8.842 -10.678 486 H SER 66 H SER 66 -5.840 6.944 -9.986 487 HA SER 66 HA SER 66 -6.520 5.470 -7.776 488 1HB SER 66 1HB SER 66 -7.786 3.577 -8.777 489 2HB SER 66 2HB SER 66 -8.700 5.071 -8.822 490 HG SER 66 HG SER 66 -7.218 3.896 -11.018 491 H PHE 67 H PHE 67 -4.312 5.025 -7.620 492 HA PHE 67 HA PHE 67 -2.476 4.650 -9.487 493 1HB PHE 67 1HB PHE 67 -3.085 3.596 -6.761 494 2HB PHE 67 2HB PHE 67 -1.979 2.560 -7.641 495 HD1 PHE 67 HD1 PHE 67 -2.468 6.107 -6.629 496 HD2 PHE 67 HD2 PHE 67 0.293 3.068 -7.704 497 HE1 PHE 67 HE1 PHE 67 -0.563 7.624 -6.023 498 HE2 PHE 67 HE2 PHE 67 2.199 4.586 -7.098 499 HZ PHE 67 HZ PHE 67 1.748 6.846 -6.266 500 H TYR 68 H TYR 68 -3.646 1.603 -7.958 501 HA TYR 68 HA TYR 68 -4.755 0.430 -10.202 502 1HB TYR 68 1HB TYR 68 -2.701 -1.043 -10.770 503 2HB TYR 68 2HB TYR 68 -2.531 0.636 -11.241 504 HD1 TYR 68 HD1 TYR 68 -1.717 -1.704 -8.433 505 HD2 TYR 68 HD2 TYR 68 -0.655 1.857 -10.553 506 HE1 TYR 68 HE1 TYR 68 0.434 -1.537 -7.090 507 HE2 TYR 68 HE2 TYR 68 1.493 2.012 -9.203 508 HH TYR 68 HH TYR 68 2.343 -0.521 -6.873 509 H SER 69 H SER 69 -4.487 -2.158 -10.002 510 HA SER 69 HA SER 69 -4.499 -2.707 -7.138 511 1HB SER 69 1HB SER 69 -6.783 -2.834 -7.782 512 2HB SER 69 2HB SER 69 -6.409 -3.585 -9.320 513 HG SER 69 HG SER 69 -7.060 -4.805 -7.017 514 H VAL 70 H VAL 70 -4.554 -5.403 -6.998 515 HA VAL 70 HA VAL 70 -3.063 -6.742 -8.973 516 HB VAL 70 HB VAL 70 -1.086 -7.069 -7.249 517 1HG1 VAL 70 1HG1 VAL 70 -1.342 -5.901 -9.686 518 2HG1 VAL 70 2HG1 VAL 70 -0.792 -4.511 -8.720 519 3HG1 VAL 70 3HG1 VAL 70 0.189 -5.995 -8.782 520 1HG2 VAL 70 1HG2 VAL 70 -2.478 -5.144 -5.878 521 2HG2 VAL 70 2HG2 VAL 70 -0.740 -5.482 -5.688 522 3HG2 VAL 70 3HG2 VAL 70 -1.280 -4.167 -6.761 523 H THR 71 H THR 71 -3.023 -8.993 -8.557 524 HA THR 71 HA THR 71 -4.602 -9.744 -6.196 525 HB THR 71 HB THR 71 -4.123 -11.055 -8.922 526 HG1 THR 71 HG1 THR 71 -5.993 -9.923 -9.270 527 1HG2 THR 71 1HG2 THR 71 -5.043 -12.209 -6.386 528 2HG2 THR 71 2HG2 THR 71 -6.356 -12.194 -7.587 529 3HG2 THR 71 3HG2 THR 71 -4.819 -13.010 -7.960 530 H LEU 72 H LEU 72 -3.967 -11.415 -4.811 531 HA LEU 72 HA LEU 72 -1.131 -12.127 -5.102 532 1HB LEU 72 1HB LEU 72 -2.753 -11.506 -2.635 533 2HB LEU 72 2HB LEU 72 -1.196 -12.308 -2.581 534 HG LEU 72 HG LEU 72 -1.656 -9.563 -3.781 535 1HD1 LEU 72 1HD1 LEU 72 -1.331 -10.420 -1.000 536 2HD1 LEU 72 2HD1 LEU 72 -0.136 -9.204 -1.512 537 3HD1 LEU 72 3HD1 LEU 72 -1.876 -8.864 -1.672 538 1HD2 LEU 72 1HD2 LEU 72 0.275 -10.737 -4.718 539 2HD2 LEU 72 2HD2 LEU 72 0.779 -9.360 -3.711 540 3HD2 LEU 72 3HD2 LEU 72 0.910 -11.019 -3.080 541 H GLY 73 H GLY 73 -0.661 -14.224 -3.709 542 1HA GLY 73 1HA GLY 73 -2.903 -16.103 -3.825 543 2HA GLY 73 2HA GLY 73 -1.519 -16.427 -4.851 544 H THR 74 H THR 74 0.658 -15.617 -3.284 545 HA THR 74 HA THR 74 0.909 -17.818 -1.535 546 HB THR 74 HB THR 74 2.631 -15.294 -1.707 547 HG1 THR 74 HG1 THR 74 2.482 -16.046 -3.833 548 1HG2 THR 74 1HG2 THR 74 3.010 -18.150 -0.788 549 2HG2 THR 74 2HG2 THR 74 4.362 -17.353 -1.627 550 3HG2 THR 74 3HG2 THR 74 3.712 -16.655 -0.125 551 HA PRO 75 HA PRO 75 -0.882 -16.117 2.005 552 1HB PRO 75 1HB PRO 75 -0.372 -18.184 3.718 553 2HB PRO 75 2HB PRO 75 -1.745 -18.159 2.629 554 1HG PRO 75 1HG PRO 75 0.764 -19.708 2.413 555 2HG PRO 75 2HG PRO 75 -0.765 -19.974 1.597 556 1HD PRO 75 1HD PRO 75 1.604 -18.814 0.471 557 2HD PRO 75 2HD PRO 75 0.042 -18.973 -0.309 558 H GLY 76 H GLY 76 -0.404 -14.986 3.900 559 1HA GLY 76 1HA GLY 76 1.597 -15.071 5.568 560 2HA GLY 76 2HA GLY 76 2.487 -14.553 4.149 561 H THR 77 H THR 77 2.718 -12.748 6.030 562 HA THR 77 HA THR 77 0.555 -10.791 5.635 563 HB THR 77 HB THR 77 1.307 -11.723 7.987 564 HG1 THR 77 HG1 THR 77 0.066 -9.882 8.158 565 1HG2 THR 77 1HG2 THR 77 3.450 -9.608 7.411 566 2HG2 THR 77 2HG2 THR 77 3.115 -10.338 9.000 567 3HG2 THR 77 3HG2 THR 77 3.769 -11.338 7.681 568 H TYR 78 H TYR 78 0.883 -9.105 4.336 569 HA TYR 78 HA TYR 78 3.632 -8.621 3.471 570 1HB TYR 78 1HB TYR 78 0.789 -7.908 2.550 571 2HB TYR 78 2HB TYR 78 2.185 -7.152 1.806 572 HD1 TYR 78 HD1 TYR 78 1.236 -10.664 2.773 573 HD2 TYR 78 HD2 TYR 78 2.729 -8.038 -0.258 574 HE1 TYR 78 HE1 TYR 78 1.451 -12.625 1.169 575 HE2 TYR 78 HE2 TYR 78 2.938 -10.009 -1.851 576 HH TYR 78 HH TYR 78 1.515 -13.033 -1.173 577 H SER 79 H SER 79 4.684 -6.655 3.749 578 HA SER 79 HA SER 79 3.155 -4.665 5.235 579 1HB SER 79 1HB SER 79 5.571 -4.128 6.209 580 2HB SER 79 2HB SER 79 4.574 -5.378 6.926 581 HG SER 79 HG SER 79 5.726 -6.966 5.636 582 H PHE 80 H PHE 80 3.618 -2.443 4.714 583 HA PHE 80 HA PHE 80 5.636 -1.950 2.699 584 1HB PHE 80 1HB PHE 80 3.766 -0.714 1.366 585 2HB PHE 80 2HB PHE 80 3.715 -2.465 1.296 586 HD1 PHE 80 HD1 PHE 80 2.127 -3.672 2.901 587 HD2 PHE 80 HD2 PHE 80 1.917 0.497 2.141 588 HE1 PHE 80 HE1 PHE 80 -0.236 -3.638 3.744 589 HE2 PHE 80 HE2 PHE 80 -0.448 0.531 2.983 590 HZ PHE 80 HZ PHE 80 -1.495 -1.537 3.775 591 H TYR 81 H TYR 81 5.070 0.640 2.007 592 HA TYR 81 HA TYR 81 4.191 2.197 4.214 593 1HB TYR 81 1HB TYR 81 6.610 3.178 4.465 594 2HB TYR 81 2HB TYR 81 6.347 1.598 5.178 595 HD1 TYR 81 HD1 TYR 81 7.409 3.087 1.896 596 HD2 TYR 81 HD2 TYR 81 7.913 -0.059 4.750 597 HE1 TYR 81 HE1 TYR 81 9.328 2.140 0.523 598 HE2 TYR 81 HE2 TYR 81 9.830 -0.996 3.368 599 HH TYR 81 HH TYR 81 10.316 -0.533 0.417 600 H CYS 82 H CYS 82 4.959 4.626 3.803 601 HA CYS 82 HA CYS 82 4.911 5.011 0.897 602 1HB CYS 82 1HB CYS 82 2.746 5.547 1.878 603 2HB CYS 82 2HB CYS 82 3.501 6.636 3.025 604 H THR 83 H THR 83 7.090 5.484 0.526 605 HA THR 83 HA THR 83 9.023 6.407 2.020 606 HB THR 83 HB THR 83 8.193 6.803 -0.802 607 HG1 THR 83 HG1 THR 83 10.640 6.296 -0.788 608 1HG2 THR 83 1HG2 THR 83 8.849 9.184 -0.137 609 2HG2 THR 83 2HG2 THR 83 10.424 8.535 0.379 610 3HG2 THR 83 3HG2 THR 83 9.938 8.437 -1.331 611 HA PRO 84 HA PRO 84 7.590 10.869 2.151 612 1HB PRO 84 1HB PRO 84 5.251 11.648 0.972 613 2HB PRO 84 2HB PRO 84 6.811 11.777 0.184 614 1HG PRO 84 1HG PRO 84 4.647 9.823 -0.302 615 2HG PRO 84 2HG PRO 84 6.002 10.239 -1.332 616 1HD PRO 84 1HD PRO 84 5.735 7.887 0.287 617 2HD PRO 84 2HD PRO 84 7.136 8.359 -0.653 618 H HIS 85 H HIS 85 6.738 11.918 3.921 619 HA HIS 85 HA HIS 85 5.280 12.238 5.575 620 1HB HIS 85 1HB HIS 85 3.683 9.803 4.785 621 2HB HIS 85 2HB HIS 85 3.166 11.187 5.728 622 HD2 HIS 85 HD2 HIS 85 2.717 13.592 4.164 623 HE1 HIS 85 HE1 HIS 85 2.490 11.494 0.468 624 HE2 HIS 85 HE2 HIS 85 2.012 13.709 1.718 625 H ARG 86 H ARG 86 5.548 8.650 5.014 626 HA ARG 86 HA ARG 86 5.995 7.057 6.454 627 1HB ARG 86 1HB ARG 86 8.360 8.896 6.349 628 2HB ARG 86 2HB ARG 86 8.412 7.680 7.608 629 1HG ARG 86 1HG ARG 86 7.746 6.955 4.727 630 2HG ARG 86 2HG ARG 86 9.405 7.055 5.284 631 1HD ARG 86 1HD ARG 86 8.047 5.512 7.255 632 2HD ARG 86 2HD ARG 86 7.444 4.927 5.717 633 HE ARG 86 HE ARG 86 10.139 5.033 5.241 634 1HH1 ARG 86 1HH1 ARG 86 8.273 3.664 7.891 635 2HH1 ARG 86 2HH1 ARG 86 9.430 2.422 8.234 636 1HH2 ARG 86 1HH2 ARG 86 11.666 3.395 5.693 637 2HH2 ARG 86 2HH2 ARG 86 11.374 2.268 6.975 638 H GLY 87 H GLY 87 7.855 9.328 8.495 639 1HA GLY 87 1HA GLY 87 6.948 8.525 10.921 640 2HA GLY 87 2HA GLY 87 7.506 10.149 10.568 641 H ALA 88 H ALA 88 5.216 10.459 8.510 642 HA ALA 88 HA ALA 88 3.430 11.765 10.206 643 1HB ALA 88 1HB ALA 88 3.973 11.752 7.534 644 2HB ALA 88 2HB ALA 88 2.443 10.842 7.557 645 3HB ALA 88 3HB ALA 88 2.514 12.482 8.244 646 H GLY 89 H GLY 89 3.865 8.410 9.519 647 1HA GLY 89 1HA GLY 89 2.773 6.715 10.645 648 2HA GLY 89 2HA GLY 89 1.437 7.789 11.012 649 H MET 90 H MET 90 3.098 6.697 7.958 650 HA MET 90 HA MET 90 0.426 6.053 6.969 651 1HB MET 90 1HB MET 90 1.728 8.001 5.867 652 2HB MET 90 2HB MET 90 2.898 6.815 5.322 653 1HG MET 90 1HG MET 90 1.529 6.066 3.648 654 2HG MET 90 2HG MET 90 0.127 6.009 4.696 655 1HE MET 90 1HE MET 90 0.198 6.510 1.932 656 2HE MET 90 2HE MET 90 -0.928 7.864 1.669 657 3HE MET 90 3HE MET 90 0.806 8.066 1.318 658 H VAL 91 H VAL 91 1.069 3.950 8.221 659 HA VAL 91 HA VAL 91 2.602 2.252 6.374 660 HB VAL 91 HB VAL 91 3.236 0.919 8.312 661 1HG1 VAL 91 1HG1 VAL 91 4.254 3.399 7.588 662 2HG1 VAL 91 2HG1 VAL 91 4.114 3.506 9.360 663 3HG1 VAL 91 3HG1 VAL 91 5.056 2.190 8.620 664 1HG2 VAL 91 1HG2 VAL 91 1.530 2.909 9.801 665 2HG2 VAL 91 2HG2 VAL 91 1.530 1.131 9.890 666 3HG2 VAL 91 3HG2 VAL 91 2.866 2.058 10.615 667 H GLY 92 H GLY 92 1.747 0.160 5.929 668 1HA GLY 92 1HA GLY 92 -0.889 -0.457 7.053 669 2HA GLY 92 2HA GLY 92 -0.765 -0.227 5.320 670 H THR 93 H THR 93 -1.593 -2.698 6.372 671 HA THR 93 HA THR 93 0.616 -4.385 5.473 672 HB THR 93 HB THR 93 -0.984 -5.173 7.929 673 HG1 THR 93 HG1 THR 93 -0.014 -2.986 8.197 674 1HG2 THR 93 1HG2 THR 93 1.925 -5.612 7.068 675 2HG2 THR 93 2HG2 THR 93 1.145 -6.310 8.508 676 3HG2 THR 93 3HG2 THR 93 0.622 -6.810 6.883 677 H ILE 94 H ILE 94 -0.119 -6.607 4.898 678 HA ILE 94 HA ILE 94 -2.978 -6.763 4.388 679 HB ILE 94 HB ILE 94 -0.859 -6.809 2.244 680 1HG1 ILE 94 1HG1 ILE 94 -3.388 -5.155 2.444 681 2HG1 ILE 94 2HG1 ILE 94 -1.821 -4.599 2.998 682 1HG2 ILE 94 1HG2 ILE 94 -3.249 -8.379 2.413 683 2HG2 ILE 94 2HG2 ILE 94 -3.435 -7.167 1.123 684 3HG2 ILE 94 3HG2 ILE 94 -2.051 -8.286 1.100 685 1HD1 ILE 94 1HD1 ILE 94 -1.006 -5.299 0.577 686 2HD1 ILE 94 2HD1 ILE 94 -2.737 -5.187 0.177 687 3HD1 ILE 94 3HD1 ILE 94 -1.874 -3.763 0.806 688 H THR 95 H THR 95 -3.745 -8.813 4.695 689 HA THR 95 HA THR 95 -1.696 -10.912 4.986 690 HB THR 95 HB THR 95 -4.375 -10.617 6.440 691 HG1 THR 95 HG1 THR 95 -1.569 -9.994 7.010 692 1HG2 THR 95 1HG2 THR 95 -3.158 -12.945 6.248 693 2HG2 THR 95 2HG2 THR 95 -1.922 -12.205 7.293 694 3HG2 THR 95 3HG2 THR 95 -3.598 -12.363 7.872 695 H VAL 96 H VAL 96 -2.044 -12.928 4.077 696 HA VAL 96 HA VAL 96 -4.453 -13.111 2.408 697 HB VAL 96 HB VAL 96 -1.565 -13.571 1.705 698 1HG1 VAL 96 1HG1 VAL 96 -3.812 -15.230 0.919 699 2HG1 VAL 96 2HG1 VAL 96 -3.098 -14.412 -0.492 700 3HG1 VAL 96 3HG1 VAL 96 -2.079 -15.421 0.564 701 1HG2 VAL 96 1HG2 VAL 96 -3.356 -11.497 1.207 702 2HG2 VAL 96 2HG2 VAL 96 -1.816 -11.795 0.366 703 3HG2 VAL 96 3HG2 VAL 96 -3.336 -12.425 -0.313 704 H GLU 97 H GLU 97 -5.242 -14.250 4.403 705 HA GLU 97 HA GLU 97 -3.932 -16.685 5.058 706 1HB GLU 97 1HB GLU 97 -5.646 -14.991 6.394 707 2HB GLU 97 2HB GLU 97 -6.744 -16.283 5.950 708 1HG GLU 97 1HG GLU 97 -5.229 -17.959 6.984 709 2HG GLU 97 2HG GLU 97 -4.072 -16.702 7.372 Start of MODEL 18 1 H ALA 1 H ALA 1 -15.930 -9.941 -5.226 2 HA ALA 1 HA ALA 1 -15.248 -9.338 -2.643 3 1HB ALA 1 1HB ALA 1 -14.938 -11.679 -4.483 4 2HB ALA 1 2HB ALA 1 -14.017 -11.708 -2.959 5 3HB ALA 1 3HB ALA 1 -15.791 -11.554 -2.926 6 H SER 2 H SER 2 -13.866 -7.328 -3.433 7 HA SER 2 HA SER 2 -11.115 -8.229 -3.223 8 1HB SER 2 1HB SER 2 -12.334 -6.701 -5.446 9 2HB SER 2 2HB SER 2 -10.908 -5.929 -4.780 10 HG SER 2 HG SER 2 -10.563 -8.677 -5.121 11 H VAL 3 H VAL 3 -9.651 -6.198 -2.662 12 HA VAL 3 HA VAL 3 -11.209 -4.390 -0.950 13 HB VAL 3 HB VAL 3 -9.049 -4.504 0.497 14 1HG1 VAL 3 1HG1 VAL 3 -11.369 -6.393 0.389 15 2HG1 VAL 3 2HG1 VAL 3 -10.058 -6.728 1.545 16 3HG1 VAL 3 3HG1 VAL 3 -10.936 -5.180 1.617 17 1HG2 VAL 3 1HG2 VAL 3 -8.065 -6.100 -1.388 18 2HG2 VAL 3 2HG2 VAL 3 -7.650 -6.315 0.330 19 3HG2 VAL 3 3HG2 VAL 3 -8.890 -7.348 -0.423 20 H GLN 4 H GLN 4 -9.522 -2.512 -0.220 21 HA GLN 4 HA GLN 4 -7.793 -1.858 -2.422 22 1HB GLN 4 1HB GLN 4 -8.883 0.473 -2.567 23 2HB GLN 4 2HB GLN 4 -9.747 -0.852 -3.319 24 1HG GLN 4 1HG GLN 4 -10.736 -0.933 -0.719 25 2HG GLN 4 2HG GLN 4 -10.492 0.786 -0.958 26 1HE2 GLN 4 2HE2 GLN 4 -11.687 1.914 -2.428 27 2HE2 GLN 4 1HE2 GLN 4 -13.076 1.280 -3.247 28 H ILE 5 H ILE 5 -6.427 0.114 -1.908 29 HA ILE 5 HA ILE 5 -6.300 0.548 0.992 30 HB ILE 5 HB ILE 5 -4.145 -0.219 -0.938 31 1HG1 ILE 5 1HG1 ILE 5 -5.239 -1.941 0.453 32 2HG1 ILE 5 2HG1 ILE 5 -3.526 -1.780 0.789 33 1HG2 ILE 5 1HG2 ILE 5 -3.445 1.937 0.045 34 2HG2 ILE 5 2HG2 ILE 5 -3.658 1.243 1.671 35 3HG2 ILE 5 3HG2 ILE 5 -2.429 0.574 0.572 36 1HD1 ILE 5 1HD1 ILE 5 -5.062 0.044 2.480 37 2HD1 ILE 5 2HD1 ILE 5 -5.638 -1.631 2.660 38 3HD1 ILE 5 3HD1 ILE 5 -3.926 -1.242 2.954 39 H LYS 6 H LYS 6 -6.995 2.599 1.304 40 HA LYS 6 HA LYS 6 -6.455 4.563 -0.762 41 1HB LYS 6 1HB LYS 6 -8.392 4.228 1.436 42 2HB LYS 6 2HB LYS 6 -7.805 5.867 1.244 43 1HG LYS 6 1HG LYS 6 -8.799 6.135 -0.823 44 2HG LYS 6 2HG LYS 6 -8.487 4.481 -1.310 45 1HD LYS 6 1HD LYS 6 -10.791 4.361 -1.041 46 2HD LYS 6 2HD LYS 6 -10.295 3.915 0.580 47 1HE LYS 6 1HE LYS 6 -10.413 6.469 1.122 48 2HE LYS 6 2HE LYS 6 -11.287 6.625 -0.388 49 1HZ LYS 6 1HZ LYS 6 -12.333 4.492 1.088 50 2HZ LYS 6 2HZ LYS 6 -12.291 5.823 2.034 51 3HZ LYS 6 3HZ LYS 6 -13.079 5.861 0.604 52 H MET 7 H MET 7 -5.089 6.334 -0.538 53 HA MET 7 HA MET 7 -3.385 6.182 1.823 54 1HB MET 7 1HB MET 7 -2.950 7.016 -1.074 55 2HB MET 7 2HB MET 7 -1.871 7.631 0.161 56 1HG MET 7 1HG MET 7 -0.929 5.541 0.588 57 2HG MET 7 2HG MET 7 -2.401 4.672 0.201 58 1HE MET 7 1HE MET 7 -2.070 3.054 -1.255 59 2HE MET 7 2HE MET 7 -3.030 3.921 -2.478 60 3HE MET 7 3HE MET 7 -1.494 3.147 -2.937 61 H GLY 8 H GLY 8 -4.214 7.619 3.319 62 1HA GLY 8 1HA GLY 8 -3.956 9.976 3.892 63 2HA GLY 8 2HA GLY 8 -4.696 10.375 2.354 64 H THR 9 H THR 9 -5.519 10.952 5.234 65 HA THR 9 HA THR 9 -8.149 9.627 5.175 66 HB THR 9 HB THR 9 -8.089 10.301 7.672 67 HG1 THR 9 HG1 THR 9 -6.294 11.503 8.146 68 1HG2 THR 9 1HG2 THR 9 -5.798 8.509 6.706 69 2HG2 THR 9 2HG2 THR 9 -6.510 8.512 8.337 70 3HG2 THR 9 3HG2 THR 9 -7.474 7.961 6.947 71 H ASP 10 H ASP 10 -10.016 10.930 5.867 72 HA ASP 10 HA ASP 10 -10.164 13.222 4.361 73 1HB ASP 10 1HB ASP 10 -12.155 11.967 5.002 74 2HB ASP 10 2HB ASP 10 -11.833 12.219 6.706 75 H LYS 11 H LYS 11 -8.735 12.624 7.456 76 HA LYS 11 HA LYS 11 -9.122 15.342 8.403 77 1HB LYS 11 1HB LYS 11 -8.715 12.796 9.619 78 2HB LYS 11 2HB LYS 11 -7.344 13.801 10.043 79 1HG LYS 11 1HG LYS 11 -8.870 14.395 11.717 80 2HG LYS 11 2HG LYS 11 -9.165 15.653 10.533 81 1HD LYS 11 1HD LYS 11 -11.354 15.014 10.709 82 2HD LYS 11 2HD LYS 11 -10.895 13.714 9.629 83 1HE LYS 11 1HE LYS 11 -11.817 12.442 11.336 84 2HE LYS 11 2HE LYS 11 -10.168 12.516 11.923 85 1HZ LYS 11 1HZ LYS 11 -11.070 14.698 12.997 86 2HZ LYS 11 2HZ LYS 11 -12.504 13.927 12.881 87 3HZ LYS 11 3HZ LYS 11 -11.279 13.251 13.724 88 H TYR 12 H TYR 12 -7.792 15.141 5.894 89 HA TYR 12 HA TYR 12 -5.854 15.557 4.847 90 1HB TYR 12 1HB TYR 12 -6.511 17.483 6.988 91 2HB TYR 12 2HB TYR 12 -4.778 17.465 6.729 92 HD1 TYR 12 HD1 TYR 12 -8.042 17.978 5.015 93 HD2 TYR 12 HD2 TYR 12 -3.806 18.548 4.851 94 HE1 TYR 12 HE1 TYR 12 -8.319 19.510 3.005 95 HE2 TYR 12 HE2 TYR 12 -4.096 20.079 2.843 96 HH TYR 12 HH TYR 12 -6.137 20.180 0.937 97 H ALA 13 H ALA 13 -5.679 13.373 6.911 98 HA ALA 13 HA ALA 13 -2.888 13.725 7.741 99 1HB ALA 13 1HB ALA 13 -5.130 12.890 9.146 100 2HB ALA 13 2HB ALA 13 -4.345 11.355 8.702 101 3HB ALA 13 3HB ALA 13 -3.440 12.587 9.615 102 HA PRO 14 HA PRO 14 -2.055 11.002 4.410 103 1HB PRO 14 1HB PRO 14 0.668 11.226 4.473 104 2HB PRO 14 2HB PRO 14 -0.366 12.339 3.599 105 1HG PRO 14 1HG PRO 14 1.053 12.750 6.160 106 2HG PRO 14 2HG PRO 14 0.381 13.949 5.074 107 1HD PRO 14 1HD PRO 14 -0.749 13.056 7.555 108 2HD PRO 14 2HD PRO 14 -1.476 14.168 6.411 109 H LEU 15 H LEU 15 -2.904 9.107 5.268 110 HA LEU 15 HA LEU 15 -0.778 7.441 6.352 111 1HB LEU 15 1HB LEU 15 -2.020 8.504 8.252 112 2HB LEU 15 2HB LEU 15 -3.467 7.684 7.703 113 HG LEU 15 HG LEU 15 -1.072 5.980 8.177 114 1HD1 LEU 15 1HD1 LEU 15 -1.943 7.838 10.163 115 2HD1 LEU 15 2HD1 LEU 15 -2.401 6.197 10.680 116 3HD1 LEU 15 3HD1 LEU 15 -0.705 6.564 10.282 117 1HD2 LEU 15 1HD2 LEU 15 -3.774 5.561 7.665 118 2HD2 LEU 15 2HD2 LEU 15 -2.584 4.348 8.196 119 3HD2 LEU 15 3HD2 LEU 15 -3.591 5.190 9.396 120 H TYR 16 H TYR 16 -1.711 5.060 6.522 121 HA TYR 16 HA TYR 16 -3.011 4.600 3.951 122 1HB TYR 16 1HB TYR 16 -1.188 3.214 5.930 123 2HB TYR 16 2HB TYR 16 -2.273 2.156 5.049 124 HD1 TYR 16 HD1 TYR 16 -2.296 2.501 2.416 125 HD2 TYR 16 HD2 TYR 16 0.885 3.731 5.001 126 HE1 TYR 16 HE1 TYR 16 -0.685 2.499 0.448 127 HE2 TYR 16 HE2 TYR 16 2.484 3.725 3.025 128 HH TYR 16 HH TYR 16 2.707 3.463 0.895 129 H GLU 17 H GLU 17 -5.090 3.903 3.772 130 HA GLU 17 HA GLU 17 -6.257 2.711 6.154 131 1HB GLU 17 1HB GLU 17 -6.860 5.232 5.703 132 2HB GLU 17 2HB GLU 17 -7.867 4.600 4.416 133 1HG GLU 17 1HG GLU 17 -9.088 3.167 6.027 134 2HG GLU 17 2HG GLU 17 -8.033 3.685 7.326 135 HA PRO 18 HA PRO 18 -7.656 1.640 6.690 136 1HB PRO 18 1HB PRO 18 -7.941 -1.023 7.235 137 2HB PRO 18 2HB PRO 18 -9.295 0.035 6.892 138 1HG PRO 18 1HG PRO 18 -8.047 -2.000 5.149 139 2HG PRO 18 2HG PRO 18 -9.624 -1.250 5.006 140 1HD PRO 18 1HD PRO 18 -7.287 -0.645 3.457 141 2HD PRO 18 2HD PRO 18 -8.830 0.184 3.393 142 H LYS 19 H LYS 19 -6.315 1.343 8.508 143 HA LYS 19 HA LYS 19 -3.655 1.330 7.935 144 1HB LYS 19 1HB LYS 19 -4.717 2.065 10.057 145 2HB LYS 19 2HB LYS 19 -4.964 0.389 10.504 146 1HG LYS 19 1HG LYS 19 -2.847 0.266 11.299 147 2HG LYS 19 2HG LYS 19 -2.209 0.659 9.715 148 1HD LYS 19 1HD LYS 19 -1.466 2.609 10.611 149 2HD LYS 19 2HD LYS 19 -3.137 3.135 10.658 150 1HE LYS 19 1HE LYS 19 -3.310 2.840 12.934 151 2HE LYS 19 2HE LYS 19 -2.368 1.362 12.922 152 1HZ LYS 19 1HZ LYS 19 -0.402 2.804 12.538 153 2HZ LYS 19 2HZ LYS 19 -1.342 4.108 12.825 154 3HZ LYS 19 3HZ LYS 19 -1.106 2.996 13.999 155 H ALA 20 H ALA 20 -5.823 -1.458 8.592 156 HA ALA 20 HA ALA 20 -3.608 -3.187 7.727 157 1HB ALA 20 1HB ALA 20 -5.507 -3.411 10.056 158 2HB ALA 20 2HB ALA 20 -4.917 -4.892 9.265 159 3HB ALA 20 3HB ALA 20 -3.760 -3.744 9.982 160 H LEU 21 H LEU 21 -4.215 -4.986 6.396 161 HA LEU 21 HA LEU 21 -7.008 -5.036 5.558 162 1HB LEU 21 1HB LEU 21 -6.240 -3.601 3.924 163 2HB LEU 21 2HB LEU 21 -4.653 -4.340 3.854 164 HG LEU 21 HG LEU 21 -5.511 -6.244 2.640 165 1HD1 LEU 21 1HD1 LEU 21 -7.991 -5.523 3.806 166 2HD1 LEU 21 2HD1 LEU 21 -8.191 -5.436 2.039 167 3HD1 LEU 21 3HD1 LEU 21 -7.609 -6.938 2.795 168 1HD2 LEU 21 1HD2 LEU 21 -5.618 -3.541 1.682 169 2HD2 LEU 21 2HD2 LEU 21 -5.166 -5.030 0.818 170 3HD2 LEU 21 3HD2 LEU 21 -6.869 -4.511 0.866 171 H SER 22 H SER 22 -7.735 -7.090 4.977 172 HA SER 22 HA SER 22 -5.682 -9.156 5.054 173 1HB SER 22 1HB SER 22 -6.982 -9.022 7.215 174 2HB SER 22 2HB SER 22 -8.451 -9.356 6.319 175 HG SER 22 HG SER 22 -6.896 -11.166 7.379 176 H ILE 23 H ILE 23 -6.000 -10.905 3.587 177 HA ILE 23 HA ILE 23 -8.477 -11.023 2.112 178 HB ILE 23 HB ILE 23 -7.463 -10.752 -0.059 179 1HG1 ILE 23 1HG1 ILE 23 -4.904 -9.802 1.223 180 2HG1 ILE 23 2HG1 ILE 23 -5.139 -11.490 0.817 181 1HG2 ILE 23 1HG2 ILE 23 -8.433 -8.797 1.157 182 2HG2 ILE 23 2HG2 ILE 23 -6.784 -8.357 1.663 183 3HG2 ILE 23 3HG2 ILE 23 -7.210 -8.371 -0.065 184 1HD1 ILE 23 1HD1 ILE 23 -5.705 -9.346 -1.251 185 2HD1 ILE 23 2HD1 ILE 23 -4.041 -9.907 -0.961 186 3HD1 ILE 23 3HD1 ILE 23 -5.286 -11.058 -1.503 187 H SER 24 H SER 24 -7.907 -12.818 0.180 188 HA SER 24 HA SER 24 -6.521 -14.927 1.643 189 1HB SER 24 1HB SER 24 -8.899 -15.325 -0.220 190 2HB SER 24 2HB SER 24 -8.144 -16.537 0.796 191 HG SER 24 HG SER 24 -9.967 -15.850 1.913 192 H ALA 25 H ALA 25 -5.690 -16.725 0.138 193 HA ALA 25 HA ALA 25 -4.095 -15.602 -1.855 194 1HB ALA 25 1HB ALA 25 -4.876 -18.419 -1.064 195 2HB ALA 25 2HB ALA 25 -3.798 -18.111 -2.446 196 3HB ALA 25 3HB ALA 25 -3.328 -17.578 -0.814 197 H GLY 26 H GLY 26 -4.940 -14.609 -3.635 198 1HA GLY 26 1HA GLY 26 -5.699 -15.304 -5.885 199 2HA GLY 26 2HA GLY 26 -7.060 -16.072 -5.093 200 H ASP 27 H ASP 27 -6.599 -13.502 -3.113 201 HA ASP 27 HA ASP 27 -8.711 -12.068 -4.366 202 1HB ASP 27 1HB ASP 27 -7.128 -11.776 -1.791 203 2HB ASP 27 2HB ASP 27 -8.215 -10.500 -2.300 204 H THR 28 H THR 28 -8.397 -9.450 -4.205 205 HA THR 28 HA THR 28 -5.728 -8.816 -5.281 206 HB THR 28 HB THR 28 -8.397 -7.630 -6.189 207 HG1 THR 28 HG1 THR 28 -7.764 -9.159 -8.060 208 1HG2 THR 28 1HG2 THR 28 -6.215 -6.375 -6.705 209 2HG2 THR 28 2HG2 THR 28 -5.691 -7.819 -7.604 210 3HG2 THR 28 3HG2 THR 28 -7.125 -6.909 -8.139 211 H VAL 29 H VAL 29 -5.006 -6.600 -4.964 212 HA VAL 29 HA VAL 29 -6.389 -5.303 -2.727 213 HB VAL 29 HB VAL 29 -3.431 -5.847 -3.026 214 1HG1 VAL 29 1HG1 VAL 29 -4.899 -3.798 -1.483 215 2HG1 VAL 29 2HG1 VAL 29 -3.726 -4.748 -0.540 216 3HG1 VAL 29 3HG1 VAL 29 -3.192 -3.858 -1.986 217 1HG2 VAL 29 1HG2 VAL 29 -5.412 -7.437 -1.925 218 2HG2 VAL 29 2HG2 VAL 29 -3.672 -7.530 -1.564 219 3HG2 VAL 29 3HG2 VAL 29 -4.750 -6.579 -0.513 220 H GLU 30 H GLU 30 -7.213 -3.476 -3.628 221 HA GLU 30 HA GLU 30 -5.775 -2.247 -5.779 222 1HB GLU 30 1HB GLU 30 -8.427 -2.514 -5.290 223 2HB GLU 30 2HB GLU 30 -8.184 -0.939 -4.558 224 1HG GLU 30 1HG GLU 30 -7.784 0.094 -6.576 225 2HG GLU 30 2HG GLU 30 -6.874 -1.262 -7.212 226 H PHE 31 H PHE 31 -5.537 0.264 -5.714 227 HA PHE 31 HA PHE 31 -4.967 1.210 -3.021 228 1HB PHE 31 1HB PHE 31 -3.070 0.999 -5.429 229 2HB PHE 31 2HB PHE 31 -2.737 2.089 -4.098 230 HD1 PHE 31 HD1 PHE 31 -2.425 1.109 -1.783 231 HD2 PHE 31 HD2 PHE 31 -2.526 -1.289 -5.282 232 HE1 PHE 31 HE1 PHE 31 -1.302 -0.758 -0.536 233 HE2 PHE 31 HE2 PHE 31 -1.404 -3.156 -4.035 234 HZ PHE 31 HZ PHE 31 -0.805 -2.868 -1.677 235 H VAL 32 H VAL 32 -5.789 3.233 -2.773 236 HA VAL 32 HA VAL 32 -6.055 4.852 -5.212 237 HB VAL 32 HB VAL 32 -8.023 4.018 -3.193 238 1HG1 VAL 32 1HG1 VAL 32 -7.672 6.346 -2.466 239 2HG1 VAL 32 2HG1 VAL 32 -7.978 6.909 -4.126 240 3HG1 VAL 32 3HG1 VAL 32 -9.277 6.120 -3.199 241 1HG2 VAL 32 1HG2 VAL 32 -7.800 4.392 -6.055 242 2HG2 VAL 32 2HG2 VAL 32 -9.001 3.466 -5.123 243 3HG2 VAL 32 3HG2 VAL 32 -9.258 5.200 -5.431 244 H MET 33 H MET 33 -5.803 7.163 -4.917 245 HA MET 33 HA MET 33 -4.162 7.704 -2.578 246 1HB MET 33 1HB MET 33 -3.913 8.262 -5.385 247 2HB MET 33 2HB MET 33 -4.186 9.812 -4.615 248 1HG MET 33 1HG MET 33 -2.343 9.075 -2.907 249 2HG MET 33 2HG MET 33 -1.947 7.823 -4.069 250 1HE MET 33 1HE MET 33 -2.785 11.380 -3.512 251 2HE MET 33 2HE MET 33 -1.610 12.328 -4.455 252 3HE MET 33 3HE MET 33 -3.083 11.705 -5.237 253 H ASN 34 H ASN 34 -5.955 8.075 -1.110 254 HA ASN 34 HA ASN 34 -8.150 9.482 -1.446 255 1HB ASN 34 1HB ASN 34 -6.353 8.929 0.797 256 2HB ASN 34 2HB ASN 34 -7.073 10.515 1.001 257 1HD2 ASN 34 2HD2 ASN 34 -8.538 10.181 2.529 258 2HD2 ASN 34 1HD2 ASN 34 -9.863 9.068 2.452 259 H LYS 35 H LYS 35 -5.260 11.115 0.059 260 HA LYS 35 HA LYS 35 -5.147 13.191 -1.837 261 1HB LYS 35 1HB LYS 35 -6.176 14.996 -0.754 262 2HB LYS 35 2HB LYS 35 -7.347 13.697 -0.652 263 1HG LYS 35 1HG LYS 35 -5.610 13.493 1.643 264 2HG LYS 35 2HG LYS 35 -6.113 15.166 1.504 265 1HD LYS 35 1HD LYS 35 -8.345 13.298 1.026 266 2HD LYS 35 2HD LYS 35 -7.622 13.066 2.605 267 1HE LYS 35 1HE LYS 35 -9.476 14.761 2.629 268 2HE LYS 35 2HE LYS 35 -7.950 15.423 3.182 269 1HZ LYS 35 1HZ LYS 35 -9.000 15.691 0.450 270 2HZ LYS 35 2HZ LYS 35 -9.041 16.854 1.595 271 3HZ LYS 35 3HZ LYS 35 -7.607 16.343 1.002 272 H VAL 36 H VAL 36 -4.134 15.236 -0.087 273 HA VAL 36 HA VAL 36 -2.136 15.802 0.702 274 HB VAL 36 HB VAL 36 -3.347 15.026 2.704 275 1HG1 VAL 36 1HG1 VAL 36 -1.999 12.404 2.034 276 2HG1 VAL 36 2HG1 VAL 36 -2.524 12.798 3.688 277 3HG1 VAL 36 3HG1 VAL 36 -3.717 12.724 2.369 278 1HG2 VAL 36 1HG2 VAL 36 -0.344 14.720 2.575 279 2HG2 VAL 36 2HG2 VAL 36 -1.304 16.095 3.169 280 3HG2 VAL 36 3HG2 VAL 36 -1.237 14.585 4.109 281 H GLY 37 H GLY 37 -1.863 14.447 -1.686 282 1HA GLY 37 1HA GLY 37 0.129 12.349 -1.315 283 2HA GLY 37 2HA GLY 37 -0.607 12.873 -2.817 284 HA PRO 38 HA PRO 38 0.605 12.358 -4.053 285 1HB PRO 38 1HB PRO 38 2.880 11.518 -5.313 286 2HB PRO 38 2HB PRO 38 1.826 12.756 -5.964 287 1HG PRO 38 1HG PRO 38 4.465 13.064 -4.668 288 2HG PRO 38 2HG PRO 38 3.603 14.199 -5.688 289 1HD PRO 38 1HD PRO 38 3.852 14.303 -2.832 290 2HD PRO 38 2HD PRO 38 2.896 15.371 -3.841 291 H HIS 39 H HIS 39 1.157 9.928 -4.384 292 HA HIS 39 HA HIS 39 2.508 9.051 -1.946 293 1HB HIS 39 1HB HIS 39 -0.168 8.027 -2.940 294 2HB HIS 39 2HB HIS 39 0.751 7.342 -1.614 295 HD2 HIS 39 HD2 HIS 39 -1.255 10.665 -2.397 296 HE1 HIS 39 HE1 HIS 39 -0.783 10.308 1.818 297 HE2 HIS 39 HE2 HIS 39 -1.820 11.670 -0.124 298 H ASN 40 H ASN 40 2.310 6.306 -2.278 299 HA ASN 40 HA ASN 40 2.765 5.544 -4.936 300 1HB ASN 40 1HB ASN 40 5.197 4.929 -4.677 301 2HB ASN 40 2HB ASN 40 4.941 6.662 -4.634 302 1HD2 ASN 40 2HD2 ASN 40 5.996 3.873 -2.958 303 2HD2 ASN 40 1HD2 ASN 40 6.480 4.609 -1.466 304 H VAL 41 H VAL 41 4.188 3.191 -4.635 305 HA VAL 41 HA VAL 41 3.137 1.915 -2.219 306 HB VAL 41 HB VAL 41 2.812 0.960 -5.069 307 1HG1 VAL 41 1HG1 VAL 41 3.436 -0.804 -3.291 308 2HG1 VAL 41 2HG1 VAL 41 1.816 -0.499 -2.619 309 3HG1 VAL 41 3HG1 VAL 41 1.990 -1.094 -4.288 310 1HG2 VAL 41 1HG2 VAL 41 1.218 2.715 -3.838 311 2HG2 VAL 41 2HG2 VAL 41 0.584 1.454 -4.921 312 3HG2 VAL 41 3HG2 VAL 41 0.532 1.221 -3.157 313 H ILE 42 H ILE 42 4.959 1.337 -1.139 314 HA ILE 42 HA ILE 42 6.937 -0.176 -2.659 315 HB ILE 42 HB ILE 42 7.469 2.264 -0.981 316 1HG1 ILE 42 1HG1 ILE 42 8.598 1.577 -3.694 317 2HG1 ILE 42 2HG1 ILE 42 7.022 2.327 -3.529 318 1HG2 ILE 42 1HG2 ILE 42 8.905 0.306 -0.285 319 2HG2 ILE 42 2HG2 ILE 42 9.584 0.323 -1.930 320 3HG2 ILE 42 3HG2 ILE 42 9.779 1.741 -0.873 321 1HD1 ILE 42 1HD1 ILE 42 8.276 4.045 -1.963 322 2HD1 ILE 42 2HD1 ILE 42 9.736 3.436 -2.776 323 3HD1 ILE 42 3HD1 ILE 42 8.437 4.194 -3.729 324 H PHE 43 H PHE 43 6.624 -2.163 -1.764 325 HA PHE 43 HA PHE 43 5.846 -2.439 0.955 326 1HB PHE 43 1HB PHE 43 7.012 -4.428 -1.084 327 2HB PHE 43 2HB PHE 43 6.112 -4.874 0.351 328 HD1 PHE 43 HD1 PHE 43 3.686 -4.515 0.458 329 HD2 PHE 43 HD2 PHE 43 5.887 -3.615 -3.058 330 HE1 PHE 43 HE1 PHE 43 1.551 -4.441 -0.860 331 HE2 PHE 43 HE2 PHE 43 3.752 -3.540 -4.375 332 HZ PHE 43 HZ PHE 43 1.610 -3.955 -3.261 333 H ASP 44 H ASP 44 7.105 -3.972 2.466 334 HA ASP 44 HA ASP 44 9.828 -3.006 2.486 335 1HB ASP 44 1HB ASP 44 8.029 -3.072 4.480 336 2HB ASP 44 2HB ASP 44 8.628 -4.707 4.676 337 H LYS 45 H LYS 45 7.905 -6.061 3.011 338 HA LYS 45 HA LYS 45 9.426 -7.660 1.371 339 1HB LYS 45 1HB LYS 45 10.749 -7.125 3.903 340 2HB LYS 45 2HB LYS 45 10.402 -8.834 3.728 341 1HG LYS 45 1HG LYS 45 11.312 -8.311 1.207 342 2HG LYS 45 2HG LYS 45 12.196 -7.079 2.086 343 1HD LYS 45 1HD LYS 45 12.533 -9.297 3.729 344 2HD LYS 45 2HD LYS 45 12.515 -10.033 2.139 345 1HE LYS 45 1HE LYS 45 14.275 -8.393 1.386 346 2HE LYS 45 2HE LYS 45 14.320 -7.723 3.003 347 1HZ LYS 45 1HZ LYS 45 14.662 -10.267 3.548 348 2HZ LYS 45 2HZ LYS 45 15.325 -10.247 2.056 349 3HZ LYS 45 3HZ LYS 45 15.909 -9.264 3.221 350 H VAL 46 H VAL 46 8.612 -9.828 1.334 351 HA VAL 46 HA VAL 46 6.443 -10.312 3.247 352 HB VAL 46 HB VAL 46 4.998 -11.047 1.497 353 1HG1 VAL 46 1HG1 VAL 46 6.206 -8.326 1.289 354 2HG1 VAL 46 2HG1 VAL 46 5.095 -8.834 -0.007 355 3HG1 VAL 46 3HG1 VAL 46 4.541 -8.818 1.684 356 1HG2 VAL 46 1HG2 VAL 46 7.461 -11.160 -0.057 357 2HG2 VAL 46 2HG2 VAL 46 5.899 -11.970 -0.330 358 3HG2 VAL 46 3HG2 VAL 46 6.161 -10.315 -0.933 359 HA PRO 47 HA PRO 47 8.210 -14.245 3.486 360 1HB PRO 47 1HB PRO 47 6.089 -15.800 4.228 361 2HB PRO 47 2HB PRO 47 6.972 -14.784 5.351 362 1HG PRO 47 1HG PRO 47 4.298 -14.350 4.165 363 2HG PRO 47 2HG PRO 47 5.008 -13.596 5.579 364 1HD PRO 47 1HD PRO 47 4.711 -12.426 2.976 365 2HD PRO 47 2HD PRO 47 5.524 -11.717 4.357 366 H ALA 48 H ALA 48 7.775 -16.737 2.905 367 HA ALA 48 HA ALA 48 7.509 -18.211 1.270 368 1HB ALA 48 1HB ALA 48 5.374 -16.289 0.800 369 2HB ALA 48 2HB ALA 48 5.967 -16.968 -0.734 370 3HB ALA 48 3HB ALA 48 5.383 -18.052 0.552 371 H GLY 49 H GLY 49 7.722 -18.260 -1.406 372 1HA GLY 49 1HA GLY 49 10.261 -16.890 -1.858 373 2HA GLY 49 2HA GLY 49 9.579 -18.212 -2.784 374 H GLU 50 H GLU 50 7.863 -15.197 -1.805 375 HA GLU 50 HA GLU 50 7.164 -14.794 -4.544 376 1HB GLU 50 1HB GLU 50 5.996 -14.201 -2.046 377 2HB GLU 50 2HB GLU 50 6.409 -12.632 -2.710 378 1HG GLU 50 1HG GLU 50 4.115 -13.414 -3.385 379 2HG GLU 50 2HG GLU 50 5.155 -13.077 -4.755 380 H SER 51 H SER 51 7.053 -12.038 -4.868 381 HA SER 51 HA SER 51 9.849 -11.273 -4.545 382 1HB SER 51 1HB SER 51 8.038 -11.132 -6.957 383 2HB SER 51 2HB SER 51 9.274 -9.904 -6.764 384 HG SER 51 HG SER 51 9.777 -12.759 -6.717 385 H ALA 52 H ALA 52 8.972 -10.255 -2.506 386 HA ALA 52 HA ALA 52 6.992 -8.275 -2.607 387 1HB ALA 52 1HB ALA 52 8.905 -9.409 -0.705 388 2HB ALA 52 2HB ALA 52 8.697 -7.657 -0.476 389 3HB ALA 52 3HB ALA 52 7.282 -8.737 -0.420 390 HA PRO 53 HA PRO 53 10.644 -5.311 -3.117 391 1HB PRO 53 1HB PRO 53 13.148 -6.279 -3.625 392 2HB PRO 53 2HB PRO 53 12.595 -5.850 -2.019 393 1HG PRO 53 1HG PRO 53 12.960 -8.537 -3.198 394 2HG PRO 53 2HG PRO 53 12.825 -8.087 -1.509 395 1HD PRO 53 1HD PRO 53 10.787 -9.285 -3.135 396 2HD PRO 53 2HD PRO 53 10.618 -8.730 -1.482 397 H ALA 54 H ALA 54 8.907 -6.156 -4.971 398 HA ALA 54 HA ALA 54 10.343 -5.402 -7.345 399 1HB ALA 54 1HB ALA 54 10.203 -8.115 -6.793 400 2HB ALA 54 2HB ALA 54 8.789 -7.853 -7.840 401 3HB ALA 54 3HB ALA 54 10.412 -7.397 -8.408 402 H LEU 55 H LEU 55 7.309 -6.670 -5.839 403 HA LEU 55 HA LEU 55 5.587 -5.638 -7.781 404 1HB LEU 55 1HB LEU 55 5.280 -6.489 -4.918 405 2HB LEU 55 2HB LEU 55 3.936 -5.777 -5.788 406 HG LEU 55 HG LEU 55 5.439 -8.255 -6.674 407 1HD1 LEU 55 1HD1 LEU 55 3.113 -7.869 -4.865 408 2HD1 LEU 55 2HD1 LEU 55 3.007 -9.190 -6.052 409 3HD1 LEU 55 3HD1 LEU 55 4.356 -9.141 -4.892 410 1HD2 LEU 55 1HD2 LEU 55 3.704 -6.513 -8.094 411 2HD2 LEU 55 2HD2 LEU 55 4.394 -8.068 -8.618 412 3HD2 LEU 55 3HD2 LEU 55 2.818 -8.028 -7.792 413 H SER 56 H SER 56 7.492 -4.109 -5.295 414 HA SER 56 HA SER 56 5.898 -1.956 -4.703 415 1HB SER 56 1HB SER 56 8.313 -0.818 -4.478 416 2HB SER 56 2HB SER 56 7.757 -2.027 -3.339 417 HG SER 56 HG SER 56 9.298 -3.360 -3.995 418 H ASN 57 H ASN 57 5.729 0.191 -5.592 419 HA ASN 57 HA ASN 57 6.948 0.494 -8.213 420 1HB ASN 57 1HB ASN 57 4.305 -0.132 -8.013 421 2HB ASN 57 2HB ASN 57 4.172 1.599 -7.777 422 1HD2 ASN 57 2HD2 ASN 57 3.109 0.196 -9.950 423 2HD2 ASN 57 1HD2 ASN 57 3.882 0.711 -11.412 424 H THR 58 H THR 58 8.222 2.341 -8.008 425 HA THR 58 HA THR 58 7.464 4.340 -6.028 426 HB THR 58 HB THR 58 9.793 3.409 -6.122 427 HG1 THR 58 HG1 THR 58 9.103 5.768 -5.670 428 1HG2 THR 58 1HG2 THR 58 9.602 3.441 -8.846 429 2HG2 THR 58 2HG2 THR 58 10.345 5.038 -8.588 430 3HG2 THR 58 3HG2 THR 58 11.162 3.570 -7.999 431 H LYS 59 H LYS 59 5.904 3.898 -8.575 432 HA LYS 59 HA LYS 59 6.529 6.283 -10.083 433 1HB LYS 59 1HB LYS 59 5.379 3.808 -10.681 434 2HB LYS 59 2HB LYS 59 4.035 4.930 -10.757 435 1HG LYS 59 1HG LYS 59 5.675 6.453 -12.145 436 2HG LYS 59 2HG LYS 59 6.629 4.995 -12.337 437 1HD LYS 59 1HD LYS 59 4.650 3.817 -13.303 438 2HD LYS 59 2HD LYS 59 3.680 5.261 -13.092 439 1HE LYS 59 1HE LYS 59 4.568 6.278 -14.945 440 2HE LYS 59 2HE LYS 59 6.203 5.787 -14.549 441 1HZ LYS 59 1HZ LYS 59 5.258 3.473 -15.227 442 2HZ LYS 59 2HZ LYS 59 4.200 4.372 -16.087 443 3HZ LYS 59 3HZ LYS 59 5.804 4.519 -16.357 444 H LEU 60 H LEU 60 6.268 7.715 -8.152 445 HA LEU 60 HA LEU 60 3.935 7.974 -6.733 446 1HB LEU 60 1HB LEU 60 4.724 10.476 -6.687 447 2HB LEU 60 2HB LEU 60 5.598 9.211 -5.846 448 HG LEU 60 HG LEU 60 6.543 9.592 -8.593 449 1HD1 LEU 60 1HD1 LEU 60 6.267 11.955 -6.799 450 2HD1 LEU 60 2HD1 LEU 60 7.793 11.766 -7.695 451 3HD1 LEU 60 3HD1 LEU 60 6.248 11.847 -8.575 452 1HD2 LEU 60 1HD2 LEU 60 7.686 9.273 -5.846 453 2HD2 LEU 60 2HD2 LEU 60 7.972 8.327 -7.327 454 3HD2 LEU 60 3HD2 LEU 60 8.716 9.933 -7.140 455 H ALA 61 H ALA 61 1.882 8.237 -7.405 456 HA ALA 61 HA ALA 61 1.442 9.453 -10.009 457 1HB ALA 61 1HB ALA 61 0.397 7.251 -9.186 458 2HB ALA 61 2HB ALA 61 -0.618 8.260 -8.128 459 3HB ALA 61 3HB ALA 61 -0.711 8.450 -9.895 460 H ILE 62 H ILE 62 1.298 11.639 -10.075 461 HA ILE 62 HA ILE 62 0.620 13.112 -7.726 462 HB ILE 62 HB ILE 62 0.949 14.076 -10.566 463 1HG1 ILE 62 1HG1 ILE 62 2.883 12.702 -9.716 464 2HG1 ILE 62 2HG1 ILE 62 3.268 14.347 -10.186 465 1HG2 ILE 62 1HG2 ILE 62 -0.143 15.647 -8.981 466 2HG2 ILE 62 2HG2 ILE 62 1.301 15.552 -7.945 467 3HG2 ILE 62 3HG2 ILE 62 1.428 16.222 -9.589 468 1HD1 ILE 62 1HD1 ILE 62 2.472 14.054 -7.335 469 2HD1 ILE 62 2HD1 ILE 62 3.978 13.215 -7.780 470 3HD1 ILE 62 3HD1 ILE 62 3.821 14.967 -8.053 471 H ALA 63 H ALA 63 -0.950 12.463 -10.928 472 HA ALA 63 HA ALA 63 -3.278 13.913 -10.327 473 1HB ALA 63 1HB ALA 63 -2.609 11.695 -12.292 474 2HB ALA 63 2HB ALA 63 -4.197 12.497 -12.246 475 3HB ALA 63 3HB ALA 63 -2.733 13.443 -12.607 476 HA PRO 64 HA PRO 64 -4.888 10.970 -7.501 477 1HB PRO 64 1HB PRO 64 -6.940 12.510 -6.561 478 2HB PRO 64 2HB PRO 64 -5.317 12.571 -5.903 479 1HG PRO 64 1HG PRO 64 -6.675 14.513 -7.671 480 2HG PRO 64 2HG PRO 64 -5.252 14.744 -6.674 481 1HD PRO 64 1HD PRO 64 -5.315 14.371 -9.517 482 2HD PRO 64 2HD PRO 64 -3.888 14.485 -8.507 483 H GLY 65 H GLY 65 -6.389 9.340 -7.520 484 1HA GLY 65 1HA GLY 65 -8.903 9.536 -8.646 485 2HA GLY 65 2HA GLY 65 -7.831 9.104 -9.963 486 H SER 66 H SER 66 -6.271 7.201 -9.523 487 HA SER 66 HA SER 66 -6.827 5.454 -7.435 488 1HB SER 66 1HB SER 66 -8.939 4.953 -8.456 489 2HB SER 66 2HB SER 66 -8.246 4.904 -10.064 490 HG SER 66 HG SER 66 -7.018 2.987 -9.379 491 H PHE 67 H PHE 67 -4.658 4.946 -7.242 492 HA PHE 67 HA PHE 67 -2.767 4.962 -9.160 493 1HB PHE 67 1HB PHE 67 -3.276 3.773 -6.504 494 2HB PHE 67 2HB PHE 67 -2.241 2.716 -7.443 495 HD1 PHE 67 HD1 PHE 67 -2.533 6.363 -6.673 496 HD2 PHE 67 HD2 PHE 67 0.026 3.025 -7.226 497 HE1 PHE 67 HE1 PHE 67 -0.551 7.789 -6.093 498 HE2 PHE 67 HE2 PHE 67 2.010 4.451 -6.647 499 HZ PHE 67 HZ PHE 67 1.698 6.816 -6.087 500 H TYR 68 H TYR 68 -3.882 1.758 -7.898 501 HA TYR 68 HA TYR 68 -4.818 0.728 -10.289 502 1HB TYR 68 1HB TYR 68 -2.672 -0.690 -10.756 503 2HB TYR 68 2HB TYR 68 -2.570 1.002 -11.200 504 HD1 TYR 68 HD1 TYR 68 -1.982 -1.095 -8.132 505 HD2 TYR 68 HD2 TYR 68 -0.598 2.079 -10.646 506 HE1 TYR 68 HE1 TYR 68 0.085 -0.831 -6.675 507 HE2 TYR 68 HE2 TYR 68 1.464 2.331 -9.181 508 HH TYR 68 HH TYR 68 2.386 0.007 -6.953 509 H SER 69 H SER 69 -4.544 -1.853 -10.253 510 HA SER 69 HA SER 69 -4.746 -2.600 -7.439 511 1HB SER 69 1HB SER 69 -6.234 -4.508 -8.785 512 2HB SER 69 2HB SER 69 -6.897 -3.120 -7.945 513 HG SER 69 HG SER 69 -7.601 -3.387 -10.224 514 H VAL 70 H VAL 70 -4.232 -4.972 -7.022 515 HA VAL 70 HA VAL 70 -2.700 -6.283 -9.086 516 HB VAL 70 HB VAL 70 -0.750 -6.530 -7.484 517 1HG1 VAL 70 1HG1 VAL 70 -0.781 -5.103 -9.552 518 2HG1 VAL 70 2HG1 VAL 70 -1.224 -3.719 -8.525 519 3HG1 VAL 70 3HG1 VAL 70 0.337 -4.541 -8.286 520 1HG2 VAL 70 1HG2 VAL 70 -2.360 -5.296 -5.667 521 2HG2 VAL 70 2HG2 VAL 70 -0.584 -5.355 -5.561 522 3HG2 VAL 70 3HG2 VAL 70 -1.388 -3.920 -6.242 523 H THR 71 H THR 71 -2.784 -8.508 -8.856 524 HA THR 71 HA THR 71 -4.361 -9.438 -6.568 525 HB THR 71 HB THR 71 -3.810 -10.417 -9.399 526 HG1 THR 71 HG1 THR 71 -5.845 -9.553 -9.450 527 1HG2 THR 71 1HG2 THR 71 -5.247 -11.943 -7.163 528 2HG2 THR 71 2HG2 THR 71 -5.136 -12.436 -8.870 529 3HG2 THR 71 3HG2 THR 71 -3.675 -12.415 -7.852 530 H LEU 72 H LEU 72 -3.698 -11.059 -5.175 531 HA LEU 72 HA LEU 72 -0.919 -11.925 -5.529 532 1HB LEU 72 1HB LEU 72 -2.202 -10.742 -3.075 533 2HB LEU 72 2HB LEU 72 -0.770 -11.748 -2.990 534 HG LEU 72 HG LEU 72 -0.933 -9.213 -4.640 535 1HD1 LEU 72 1HD1 LEU 72 0.050 -9.604 -1.803 536 2HD1 LEU 72 2HD1 LEU 72 0.398 -8.173 -2.802 537 3HD1 LEU 72 3HD1 LEU 72 -1.281 -8.563 -2.360 538 1HD2 LEU 72 1HD2 LEU 72 0.850 -11.237 -4.884 539 2HD2 LEU 72 2HD2 LEU 72 1.218 -9.529 -5.222 540 3HD2 LEU 72 3HD2 LEU 72 1.659 -10.240 -3.651 541 H GLY 73 H GLY 73 -0.493 -13.831 -3.863 542 1HA GLY 73 1HA GLY 73 -2.890 -15.466 -3.485 543 2HA GLY 73 2HA GLY 73 -1.657 -16.078 -4.569 544 H THR 74 H THR 74 0.748 -15.378 -3.401 545 HA THR 74 HA THR 74 1.247 -17.312 -1.585 546 HB THR 74 HB THR 74 2.470 -14.565 -2.080 547 HG1 THR 74 HG1 THR 74 2.750 -16.194 -3.703 548 1HG2 THR 74 1HG2 THR 74 3.412 -16.799 -0.217 549 2HG2 THR 74 2HG2 THR 74 4.523 -15.600 -0.922 550 3HG2 THR 74 3HG2 THR 74 3.226 -15.073 0.177 551 HA PRO 75 HA PRO 75 -0.899 -16.069 1.965 552 1HB PRO 75 1HB PRO 75 -0.338 -18.262 3.496 553 2HB PRO 75 2HB PRO 75 -1.663 -18.207 2.349 554 1HG PRO 75 1HG PRO 75 0.941 -19.586 2.107 555 2HG PRO 75 2HG PRO 75 -0.533 -19.855 1.198 556 1HD PRO 75 1HD PRO 75 1.808 -18.460 0.301 557 2HD PRO 75 2HD PRO 75 0.292 -18.629 -0.563 558 H GLY 76 H GLY 76 -0.540 -14.921 3.824 559 1HA GLY 76 1HA GLY 76 1.245 -15.014 5.691 560 2HA GLY 76 2HA GLY 76 2.328 -14.579 4.383 561 H THR 77 H THR 77 2.435 -12.724 6.213 562 HA THR 77 HA THR 77 0.410 -10.695 5.562 563 HB THR 77 HB THR 77 2.326 -11.079 7.920 564 HG1 THR 77 HG1 THR 77 0.022 -11.125 8.869 565 1HG2 THR 77 1HG2 THR 77 1.602 -8.603 7.108 566 2HG2 THR 77 2HG2 THR 77 0.074 -9.068 7.893 567 3HG2 THR 77 3HG2 THR 77 1.588 -9.050 8.830 568 H TYR 78 H TYR 78 0.899 -8.980 4.337 569 HA TYR 78 HA TYR 78 3.726 -8.664 3.631 570 1HB TYR 78 1HB TYR 78 0.995 -7.866 2.461 571 2HB TYR 78 2HB TYR 78 2.483 -7.221 1.799 572 HD1 TYR 78 HD1 TYR 78 1.238 -10.622 2.823 573 HD2 TYR 78 HD2 TYR 78 3.161 -8.237 -0.164 574 HE1 TYR 78 HE1 TYR 78 1.464 -12.664 1.327 575 HE2 TYR 78 HE2 TYR 78 3.380 -10.288 -1.650 576 HH TYR 78 HH TYR 78 1.672 -12.846 -1.452 577 H SER 79 H SER 79 4.845 -6.781 4.039 578 HA SER 79 HA SER 79 3.292 -4.730 5.415 579 1HB SER 79 1HB SER 79 6.287 -5.165 5.708 580 2HB SER 79 2HB SER 79 5.233 -4.222 6.744 581 HG SER 79 HG SER 79 5.894 -6.460 7.493 582 H PHE 80 H PHE 80 3.714 -2.500 4.874 583 HA PHE 80 HA PHE 80 5.686 -1.929 2.865 584 1HB PHE 80 1HB PHE 80 3.729 -0.870 1.455 585 2HB PHE 80 2HB PHE 80 3.925 -2.610 1.363 586 HD1 PHE 80 HD1 PHE 80 2.371 -4.095 2.598 587 HD2 PHE 80 HD2 PHE 80 1.782 0.104 2.444 588 HE1 PHE 80 HE1 PHE 80 -0.009 -4.402 3.337 589 HE2 PHE 80 HE2 PHE 80 -0.598 -0.202 3.183 590 HZ PHE 80 HZ PHE 80 -1.464 -2.451 3.620 591 H TYR 81 H TYR 81 5.199 0.562 2.117 592 HA TYR 81 HA TYR 81 4.052 2.105 4.267 593 1HB TYR 81 1HB TYR 81 6.405 3.333 4.334 594 2HB TYR 81 2HB TYR 81 6.254 1.827 5.218 595 HD1 TYR 81 HD1 TYR 81 7.338 -0.224 4.414 596 HD2 TYR 81 HD2 TYR 81 7.737 3.468 2.289 597 HE1 TYR 81 HE1 TYR 81 9.287 -1.185 3.096 598 HE2 TYR 81 HE2 TYR 81 9.686 2.493 0.978 599 HH TYR 81 HH TYR 81 11.114 -0.536 1.858 600 H CYS 82 H CYS 82 4.930 4.606 3.719 601 HA CYS 82 HA CYS 82 4.643 4.880 0.822 602 1HB CYS 82 1HB CYS 82 2.463 5.319 1.594 603 2HB CYS 82 2HB CYS 82 3.032 6.238 2.973 604 H THR 83 H THR 83 6.747 5.556 0.371 605 HA THR 83 HA THR 83 8.598 6.711 1.856 606 HB THR 83 HB THR 83 7.787 6.828 -1.001 607 HG1 THR 83 HG1 THR 83 10.262 6.498 -0.919 608 1HG2 THR 83 1HG2 THR 83 8.265 9.292 -0.495 609 2HG2 THR 83 2HG2 THR 83 9.876 8.791 0.071 610 3HG2 THR 83 3HG2 THR 83 9.413 8.542 -1.629 611 HA PRO 84 HA PRO 84 6.809 11.036 1.615 612 1HB PRO 84 1HB PRO 84 4.459 11.536 0.312 613 2HB PRO 84 2HB PRO 84 6.031 11.730 -0.438 614 1HG PRO 84 1HG PRO 84 4.041 9.580 -0.835 615 2HG PRO 84 2HG PRO 84 5.395 10.025 -1.855 616 1HD PRO 84 1HD PRO 84 5.254 7.785 -0.069 617 2HD PRO 84 2HD PRO 84 6.647 8.297 -1.001 618 H HIS 85 H HIS 85 6.164 11.808 3.526 619 HA HIS 85 HA HIS 85 4.699 12.185 5.169 620 1HB HIS 85 1HB HIS 85 2.837 9.980 4.366 621 2HB HIS 85 2HB HIS 85 2.487 11.508 5.151 622 HD2 HIS 85 HD2 HIS 85 3.343 13.731 3.066 623 HE1 HIS 85 HE1 HIS 85 1.382 11.431 0.069 624 HE2 HIS 85 HE2 HIS 85 2.304 13.755 0.741 625 H ARG 86 H ARG 86 6.480 9.490 4.350 626 HA ARG 86 HA ARG 86 5.958 7.490 5.957 627 1HB ARG 86 1HB ARG 86 8.363 8.665 4.827 628 2HB ARG 86 2HB ARG 86 8.745 8.051 6.423 629 1HG ARG 86 1HG ARG 86 7.823 5.831 5.833 630 2HG ARG 86 2HG ARG 86 7.310 6.429 4.268 631 1HD ARG 86 1HD ARG 86 9.337 5.790 3.461 632 2HD ARG 86 2HD ARG 86 10.041 7.113 4.369 633 HE ARG 86 HE ARG 86 10.044 4.261 5.130 634 1HH1 ARG 86 1HH1 ARG 86 10.612 7.578 6.157 635 2HH1 ARG 86 2HH1 ARG 86 11.617 7.127 7.493 636 1HH2 ARG 86 1HH2 ARG 86 11.369 3.666 6.893 637 2HH2 ARG 86 2HH2 ARG 86 12.051 4.887 7.915 638 H GLY 87 H GLY 87 7.699 10.507 7.009 639 1HA GLY 87 1HA GLY 87 7.910 9.755 9.732 640 2HA GLY 87 2HA GLY 87 8.114 11.357 9.052 641 H ALA 88 H ALA 88 5.434 11.482 7.778 642 HA ALA 88 HA ALA 88 4.017 12.581 9.918 643 1HB ALA 88 1HB ALA 88 3.231 11.745 7.104 644 2HB ALA 88 2HB ALA 88 2.144 12.627 8.203 645 3HB ALA 88 3HB ALA 88 3.673 13.372 7.676 646 H GLY 89 H GLY 89 4.518 9.307 8.968 647 1HA GLY 89 1HA GLY 89 3.830 7.490 10.220 648 2HA GLY 89 2HA GLY 89 2.528 8.435 10.917 649 H MET 90 H MET 90 3.578 6.488 8.137 650 HA MET 90 HA MET 90 0.800 6.100 7.490 651 1HB MET 90 1HB MET 90 1.671 8.015 6.041 652 2HB MET 90 2HB MET 90 2.882 6.927 5.391 653 1HG MET 90 1HG MET 90 1.369 5.829 4.045 654 2HG MET 90 2HG MET 90 0.109 5.852 5.264 655 1HE MET 90 1HE MET 90 -0.537 5.992 2.596 656 2HE MET 90 2HE MET 90 -1.340 7.495 2.082 657 3HE MET 90 3HE MET 90 0.369 7.214 1.671 658 H VAL 91 H VAL 91 0.968 3.925 8.146 659 HA VAL 91 HA VAL 91 2.659 2.293 6.398 660 HB VAL 91 HB VAL 91 2.977 0.815 8.461 661 1HG1 VAL 91 1HG1 VAL 91 4.442 3.047 7.441 662 2HG1 VAL 91 2HG1 VAL 91 4.632 3.019 9.211 663 3HG1 VAL 91 3HG1 VAL 91 5.057 1.585 8.246 664 1HG2 VAL 91 1HG2 VAL 91 1.281 2.581 9.677 665 2HG2 VAL 91 2HG2 VAL 91 2.421 1.514 10.533 666 3HG2 VAL 91 3HG2 VAL 91 2.867 3.205 10.196 667 H GLY 92 H GLY 92 1.775 0.219 5.887 668 1HA GLY 92 1HA GLY 92 -0.898 -0.366 6.935 669 2HA GLY 92 2HA GLY 92 -0.733 -0.090 5.211 670 H THR 93 H THR 93 -1.550 -2.586 6.525 671 HA THR 93 HA THR 93 0.631 -4.297 5.541 672 HB THR 93 HB THR 93 -1.122 -5.147 7.857 673 HG1 THR 93 HG1 THR 93 -0.346 -3.122 8.583 674 1HG2 THR 93 1HG2 THR 93 0.651 -6.674 6.850 675 2HG2 THR 93 2HG2 THR 93 1.872 -5.459 7.297 676 3HG2 THR 93 3HG2 THR 93 0.937 -6.287 8.564 677 H ILE 94 H ILE 94 -0.077 -6.437 4.789 678 HA ILE 94 HA ILE 94 -2.914 -6.582 4.170 679 HB ILE 94 HB ILE 94 -0.715 -6.414 2.123 680 1HG1 ILE 94 1HG1 ILE 94 -3.383 -4.996 2.176 681 2HG1 ILE 94 2HG1 ILE 94 -1.970 -4.352 2.987 682 1HG2 ILE 94 1HG2 ILE 94 -3.454 -7.656 1.870 683 2HG2 ILE 94 2HG2 ILE 94 -2.564 -7.006 0.473 684 3HG2 ILE 94 3HG2 ILE 94 -1.871 -8.340 1.426 685 1HD1 ILE 94 1HD1 ILE 94 -1.780 -5.212 0.086 686 2HD1 ILE 94 2HD1 ILE 94 -2.452 -3.621 0.514 687 3HD1 ILE 94 3HD1 ILE 94 -0.782 -4.032 0.969 688 H THR 95 H THR 95 -3.628 -8.597 4.617 689 HA THR 95 HA THR 95 -1.590 -10.720 4.721 690 HB THR 95 HB THR 95 -4.243 -10.397 6.223 691 HG1 THR 95 HG1 THR 95 -2.521 -8.927 6.879 692 1HG2 THR 95 1HG2 THR 95 -3.193 -12.798 5.812 693 2HG2 THR 95 2HG2 THR 95 -1.938 -12.241 6.946 694 3HG2 THR 95 3HG2 THR 95 -3.637 -12.326 7.470 695 H VAL 96 H VAL 96 -2.019 -12.764 3.833 696 HA VAL 96 HA VAL 96 -4.383 -12.825 2.092 697 HB VAL 96 HB VAL 96 -1.494 -13.300 1.461 698 1HG1 VAL 96 1HG1 VAL 96 -3.735 -14.990 0.595 699 2HG1 VAL 96 2HG1 VAL 96 -2.803 -14.295 -0.754 700 3HG1 VAL 96 3HG1 VAL 96 -1.980 -15.266 0.490 701 1HG2 VAL 96 1HG2 VAL 96 -2.991 -11.190 0.929 702 2HG2 VAL 96 2HG2 VAL 96 -1.817 -11.802 -0.260 703 3HG2 VAL 96 3HG2 VAL 96 -3.545 -12.198 -0.430 704 H GLU 97 H GLU 97 -5.308 -13.968 4.003 705 HA GLU 97 HA GLU 97 -4.106 -16.428 4.737 706 1HB GLU 97 1HB GLU 97 -6.144 -14.697 5.751 707 2HB GLU 97 2HB GLU 97 -6.899 -16.258 5.501 708 1HG GLU 97 1HG GLU 97 -5.395 -17.371 6.972 709 2HG GLU 97 2HG GLU 97 -4.196 -16.098 6.868 Start of MODEL 19 1 H ALA 1 H ALA 1 -14.367 -10.830 -2.825 2 HA ALA 1 HA ALA 1 -14.643 -9.355 -5.069 3 1HB ALA 1 1HB ALA 1 -16.503 -8.394 -3.179 4 2HB ALA 1 2HB ALA 1 -15.169 -7.217 -3.167 5 3HB ALA 1 3HB ALA 1 -16.001 -7.602 -4.693 6 H SER 2 H SER 2 -13.033 -7.443 -5.105 7 HA SER 2 HA SER 2 -10.785 -8.302 -3.545 8 1HB SER 2 1HB SER 2 -9.474 -6.854 -5.019 9 2HB SER 2 2HB SER 2 -10.559 -7.838 -5.981 10 HG SER 2 HG SER 2 -11.786 -6.091 -6.499 11 H VAL 3 H VAL 3 -9.294 -6.440 -2.647 12 HA VAL 3 HA VAL 3 -11.047 -4.515 -1.285 13 HB VAL 3 HB VAL 3 -9.236 -4.548 0.465 14 1HG1 VAL 3 1HG1 VAL 3 -11.482 -5.966 0.312 15 2HG1 VAL 3 2HG1 VAL 3 -10.334 -7.325 0.269 16 3HG1 VAL 3 3HG1 VAL 3 -10.320 -6.192 1.642 17 1HG2 VAL 3 1HG2 VAL 3 -7.438 -5.505 -0.910 18 2HG2 VAL 3 2HG2 VAL 3 -7.737 -6.488 0.543 19 3HG2 VAL 3 3HG2 VAL 3 -8.344 -7.032 -1.040 20 H GLN 4 H GLN 4 -9.511 -2.576 -0.425 21 HA GLN 4 HA GLN 4 -7.566 -1.910 -2.435 22 1HB GLN 4 1HB GLN 4 -9.717 0.146 -1.907 23 2HB GLN 4 2HB GLN 4 -8.612 0.034 -3.263 24 1HG GLN 4 1HG GLN 4 -9.797 -2.041 -4.039 25 2HG GLN 4 2HG GLN 4 -10.915 -1.894 -2.699 26 1HE2 GLN 4 2HE2 GLN 4 -9.817 -0.548 -5.721 27 2HE2 GLN 4 1HE2 GLN 4 -11.166 0.491 -6.040 28 H ILE 5 H ILE 5 -6.169 -0.101 -1.771 29 HA ILE 5 HA ILE 5 -6.405 0.426 1.110 30 HB ILE 5 HB ILE 5 -4.092 -0.304 -0.621 31 1HG1 ILE 5 1HG1 ILE 5 -5.293 -1.904 0.919 32 2HG1 ILE 5 2HG1 ILE 5 -3.557 -1.789 1.136 33 1HG2 ILE 5 1HG2 ILE 5 -3.457 1.903 0.190 34 2HG2 ILE 5 2HG2 ILE 5 -3.852 1.425 1.858 35 3HG2 ILE 5 3HG2 ILE 5 -2.507 0.635 1.000 36 1HD1 ILE 5 1HD1 ILE 5 -5.397 -0.027 2.777 37 2HD1 ILE 5 2HD1 ILE 5 -5.105 -1.716 3.254 38 3HD1 ILE 5 3HD1 ILE 5 -3.745 -0.572 3.152 39 H LYS 6 H LYS 6 -7.080 2.464 1.478 40 HA LYS 6 HA LYS 6 -6.720 4.451 -0.573 41 1HB LYS 6 1HB LYS 6 -8.384 4.078 1.823 42 2HB LYS 6 2HB LYS 6 -7.819 5.723 1.616 43 1HG LYS 6 1HG LYS 6 -8.701 5.782 -0.692 44 2HG LYS 6 2HG LYS 6 -9.161 4.094 -0.592 45 1HD LYS 6 1HD LYS 6 -10.961 4.516 0.851 46 2HD LYS 6 2HD LYS 6 -10.234 5.965 1.516 47 1HE LYS 6 1HE LYS 6 -10.672 7.198 -0.583 48 2HE LYS 6 2HE LYS 6 -11.285 5.744 -1.345 49 1HZ LYS 6 1HZ LYS 6 -12.861 5.765 0.687 50 2HZ LYS 6 2HZ LYS 6 -12.505 7.358 0.737 51 3HZ LYS 6 3HZ LYS 6 -13.180 6.713 -0.603 52 H MET 7 H MET 7 -5.405 6.291 -0.471 53 HA MET 7 HA MET 7 -3.441 6.172 1.685 54 1HB MET 7 1HB MET 7 -3.210 7.120 -1.224 55 2HB MET 7 2HB MET 7 -1.935 7.345 -0.045 56 1HG MET 7 1HG MET 7 -1.206 5.316 -0.867 57 2HG MET 7 2HG MET 7 -2.346 4.676 0.300 58 1HE MET 7 1HE MET 7 -1.169 5.183 -2.983 59 2HE MET 7 2HE MET 7 -2.200 4.207 -4.056 60 3HE MET 7 3HE MET 7 -2.584 5.921 -3.769 61 H GLY 8 H GLY 8 -4.056 7.702 3.181 62 1HA GLY 8 1HA GLY 8 -3.864 9.990 3.764 63 2HA GLY 8 2HA GLY 8 -4.435 10.444 2.170 64 H THR 9 H THR 9 -5.440 11.034 5.015 65 HA THR 9 HA THR 9 -8.177 10.002 4.650 66 HB THR 9 HB THR 9 -8.351 10.242 7.122 67 HG1 THR 9 HG1 THR 9 -6.910 11.900 7.628 68 1HG2 THR 9 1HG2 THR 9 -6.985 8.220 5.949 69 2HG2 THR 9 2HG2 THR 9 -5.629 8.975 6.819 70 3HG2 THR 9 3HG2 THR 9 -7.049 8.390 7.719 71 H ASP 10 H ASP 10 -9.953 11.443 5.127 72 HA ASP 10 HA ASP 10 -9.626 13.875 3.890 73 1HB ASP 10 1HB ASP 10 -11.821 12.942 3.974 74 2HB ASP 10 2HB ASP 10 -11.750 12.698 5.708 75 H LYS 11 H LYS 11 -8.805 12.814 7.079 76 HA LYS 11 HA LYS 11 -9.081 15.456 8.258 77 1HB LYS 11 1HB LYS 11 -9.398 12.905 9.261 78 2HB LYS 11 2HB LYS 11 -7.803 13.333 9.843 79 1HG LYS 11 1HG LYS 11 -8.889 15.609 10.557 80 2HG LYS 11 2HG LYS 11 -10.425 14.797 10.325 81 1HD LYS 11 1HD LYS 11 -9.213 12.903 11.835 82 2HD LYS 11 2HD LYS 11 -8.299 14.289 12.394 83 1HE LYS 11 1HE LYS 11 -10.626 15.451 12.712 84 2HE LYS 11 2HE LYS 11 -11.304 13.842 12.555 85 1HZ LYS 11 1HZ LYS 11 -9.386 13.400 14.308 86 2HZ LYS 11 2HZ LYS 11 -9.735 14.948 14.689 87 3HZ LYS 11 3HZ LYS 11 -10.907 13.812 14.737 88 H TYR 12 H TYR 12 -7.354 15.336 6.003 89 HA TYR 12 HA TYR 12 -5.238 15.641 5.341 90 1HB TYR 12 1HB TYR 12 -6.033 17.358 7.606 91 2HB TYR 12 2HB TYR 12 -4.295 17.127 7.637 92 HD1 TYR 12 HD1 TYR 12 -3.264 17.284 5.057 93 HD2 TYR 12 HD2 TYR 12 -6.719 19.306 6.568 94 HE1 TYR 12 HE1 TYR 12 -2.999 19.082 3.280 95 HE2 TYR 12 HE2 TYR 12 -6.441 21.097 4.785 96 HH TYR 12 HH TYR 12 -3.607 21.394 2.955 97 H ALA 13 H ALA 13 -5.609 13.170 6.916 98 HA ALA 13 HA ALA 13 -3.006 13.043 8.269 99 1HB ALA 13 1HB ALA 13 -5.571 12.267 9.091 100 2HB ALA 13 2HB ALA 13 -4.777 10.746 8.621 101 3HB ALA 13 3HB ALA 13 -4.028 11.800 9.844 102 HA PRO 14 HA PRO 14 -2.062 10.801 4.577 103 1HB PRO 14 1HB PRO 14 0.648 11.123 4.708 104 2HB PRO 14 2HB PRO 14 -0.415 12.265 3.908 105 1HG PRO 14 1HG PRO 14 0.948 12.516 6.520 106 2HG PRO 14 2HG PRO 14 0.245 13.774 5.523 107 1HD PRO 14 1HD PRO 14 -0.886 12.638 7.901 108 2HD PRO 14 2HD PRO 14 -1.639 13.812 6.841 109 H LEU 15 H LEU 15 -2.980 8.926 5.636 110 HA LEU 15 HA LEU 15 -0.780 7.145 6.316 111 1HB LEU 15 1HB LEU 15 -2.060 6.278 8.259 112 2HB LEU 15 2HB LEU 15 -1.382 7.881 8.468 113 HG LEU 15 HG LEU 15 -3.834 8.595 7.638 114 1HD1 LEU 15 1HD1 LEU 15 -4.109 5.808 7.959 115 2HD1 LEU 15 2HD1 LEU 15 -4.945 6.558 9.340 116 3HD1 LEU 15 3HD1 LEU 15 -5.388 7.014 7.678 117 1HD2 LEU 15 1HD2 LEU 15 -2.701 9.320 9.694 118 2HD2 LEU 15 2HD2 LEU 15 -4.420 8.948 9.973 119 3HD2 LEU 15 3HD2 LEU 15 -3.165 7.794 10.483 120 H TYR 16 H TYR 16 -1.375 4.853 6.088 121 HA TYR 16 HA TYR 16 -3.076 4.494 3.841 122 1HB TYR 16 1HB TYR 16 -1.423 2.849 5.813 123 2HB TYR 16 2HB TYR 16 -2.504 1.992 4.733 124 HD1 TYR 16 HD1 TYR 16 -2.287 3.113 2.160 125 HD2 TYR 16 HD2 TYR 16 0.782 2.784 5.122 126 HE1 TYR 16 HE1 TYR 16 -0.512 3.180 0.340 127 HE2 TYR 16 HE2 TYR 16 2.546 2.853 3.293 128 HH TYR 16 HH TYR 16 2.807 2.485 1.033 129 H GLU 17 H GLU 17 -5.230 4.094 3.780 130 HA GLU 17 HA GLU 17 -6.410 3.122 6.267 131 1HB GLU 17 1HB GLU 17 -6.933 5.555 5.505 132 2HB GLU 17 2HB GLU 17 -7.884 4.824 4.227 133 1HG GLU 17 1HG GLU 17 -9.278 3.635 5.881 134 2HG GLU 17 2HG GLU 17 -8.273 4.213 7.195 135 HA PRO 18 HA PRO 18 -7.668 2.077 6.983 136 1HB PRO 18 1HB PRO 18 -7.863 -0.505 7.855 137 2HB PRO 18 2HB PRO 18 -9.257 0.485 7.471 138 1HG PRO 18 1HG PRO 18 -8.068 -1.726 5.910 139 2HG PRO 18 2HG PRO 18 -9.667 -1.020 5.772 140 1HD PRO 18 1HD PRO 18 -7.437 -0.571 4.026 141 2HD PRO 18 2HD PRO 18 -8.998 0.221 3.957 142 H LYS 19 H LYS 19 -6.463 0.834 8.977 143 HA LYS 19 HA LYS 19 -3.699 1.036 8.101 144 1HB LYS 19 1HB LYS 19 -3.160 1.355 10.398 145 2HB LYS 19 2HB LYS 19 -4.563 2.346 10.051 146 1HG LYS 19 1HG LYS 19 -6.008 1.005 11.306 147 2HG LYS 19 2HG LYS 19 -5.075 -0.452 11.033 148 1HD LYS 19 1HD LYS 19 -3.960 1.831 12.706 149 2HD LYS 19 2HD LYS 19 -5.015 0.624 13.415 150 1HE LYS 19 1HE LYS 19 -2.797 -0.502 11.773 151 2HE LYS 19 2HE LYS 19 -2.267 0.376 13.194 152 1HZ LYS 19 1HZ LYS 19 -3.964 -0.984 14.418 153 2HZ LYS 19 2HZ LYS 19 -4.068 -1.929 13.090 154 3HZ LYS 19 3HZ LYS 19 -2.648 -1.792 13.885 155 H ALA 20 H ALA 20 -5.544 -1.284 7.432 156 HA ALA 20 HA ALA 20 -3.703 -3.318 7.661 157 1HB ALA 20 1HB ALA 20 -5.157 -2.869 10.117 158 2HB ALA 20 2HB ALA 20 -5.611 -4.449 9.437 159 3HB ALA 20 3HB ALA 20 -3.900 -4.079 9.764 160 H LEU 21 H LEU 21 -4.315 -4.967 6.271 161 HA LEU 21 HA LEU 21 -7.149 -5.141 5.600 162 1HB LEU 21 1HB LEU 21 -6.516 -3.688 3.920 163 2HB LEU 21 2HB LEU 21 -4.917 -4.386 3.757 164 HG LEU 21 HG LEU 21 -5.861 -6.369 2.669 165 1HD1 LEU 21 1HD1 LEU 21 -8.237 -5.644 3.898 166 2HD1 LEU 21 2HD1 LEU 21 -8.531 -5.307 2.176 167 3HD1 LEU 21 3HD1 LEU 21 -8.015 -6.932 2.689 168 1HD2 LEU 21 1HD2 LEU 21 -5.561 -3.847 1.583 169 2HD2 LEU 21 2HD2 LEU 21 -5.741 -5.369 0.678 170 3HD2 LEU 21 3HD2 LEU 21 -7.167 -4.353 1.003 171 H SER 22 H SER 22 -7.816 -7.224 4.961 172 HA SER 22 HA SER 22 -5.686 -9.210 5.037 173 1HB SER 22 1HB SER 22 -6.956 -9.158 7.200 174 2HB SER 22 2HB SER 22 -8.440 -9.477 6.324 175 HG SER 22 HG SER 22 -7.965 -11.556 6.338 176 H ILE 23 H ILE 23 -5.899 -10.918 3.524 177 HA ILE 23 HA ILE 23 -8.382 -11.101 2.038 178 HB ILE 23 HB ILE 23 -7.227 -10.930 -0.121 179 1HG1 ILE 23 1HG1 ILE 23 -4.872 -9.698 1.304 180 2HG1 ILE 23 2HG1 ILE 23 -4.926 -11.416 0.964 181 1HG2 ILE 23 1HG2 ILE 23 -8.405 -8.999 1.121 182 2HG2 ILE 23 2HG2 ILE 23 -6.763 -8.360 1.378 183 3HG2 ILE 23 3HG2 ILE 23 -7.373 -8.612 -0.276 184 1HD1 ILE 23 1HD1 ILE 23 -5.467 -9.373 -1.221 185 2HD1 ILE 23 2HD1 ILE 23 -3.811 -9.878 -0.806 186 3HD1 ILE 23 3HD1 ILE 23 -4.986 -11.078 -1.395 187 H SER 24 H SER 24 -7.670 -12.896 0.096 188 HA SER 24 HA SER 24 -6.435 -15.017 1.674 189 1HB SER 24 1HB SER 24 -8.604 -15.375 -0.436 190 2HB SER 24 2HB SER 24 -7.961 -16.611 0.626 191 HG SER 24 HG SER 24 -8.790 -14.632 2.238 192 H ALA 25 H ALA 25 -5.820 -16.951 -0.011 193 HA ALA 25 HA ALA 25 -3.874 -15.785 -1.730 194 1HB ALA 25 1HB ALA 25 -4.326 -18.248 -0.418 195 2HB ALA 25 2HB ALA 25 -4.341 -18.621 -2.159 196 3HB ALA 25 3HB ALA 25 -2.934 -17.806 -1.435 197 H GLY 26 H GLY 26 -4.638 -14.692 -3.506 198 1HA GLY 26 1HA GLY 26 -5.168 -15.295 -5.844 199 2HA GLY 26 2HA GLY 26 -6.560 -16.156 -5.218 200 H ASP 27 H ASP 27 -6.114 -13.505 -3.186 201 HA ASP 27 HA ASP 27 -8.308 -12.172 -4.443 202 1HB ASP 27 1HB ASP 27 -6.794 -11.903 -1.835 203 2HB ASP 27 2HB ASP 27 -7.814 -10.577 -2.360 204 H THR 28 H THR 28 -8.064 -9.534 -4.240 205 HA THR 28 HA THR 28 -5.403 -8.816 -5.280 206 HB THR 28 HB THR 28 -8.100 -7.751 -6.260 207 HG1 THR 28 HG1 THR 28 -7.688 -9.309 -7.980 208 1HG2 THR 28 1HG2 THR 28 -5.280 -7.726 -7.463 209 2HG2 THR 28 2HG2 THR 28 -6.745 -7.078 -8.240 210 3HG2 THR 28 3HG2 THR 28 -6.104 -6.311 -6.766 211 H VAL 29 H VAL 29 -4.796 -6.550 -4.983 212 HA VAL 29 HA VAL 29 -6.289 -5.281 -2.805 213 HB VAL 29 HB VAL 29 -3.304 -5.743 -2.937 214 1HG1 VAL 29 1HG1 VAL 29 -4.695 -3.576 -1.787 215 2HG1 VAL 29 2HG1 VAL 29 -4.251 -4.646 -0.436 216 3HG1 VAL 29 3HG1 VAL 29 -2.993 -4.035 -1.537 217 1HG2 VAL 29 1HG2 VAL 29 -4.844 -7.650 -2.187 218 2HG2 VAL 29 2HG2 VAL 29 -3.539 -7.174 -1.074 219 3HG2 VAL 29 3HG2 VAL 29 -5.210 -6.643 -0.766 220 H GLU 30 H GLU 30 -7.098 -3.487 -3.789 221 HA GLU 30 HA GLU 30 -5.516 -2.237 -5.834 222 1HB GLU 30 1HB GLU 30 -8.136 -2.630 -5.755 223 2HB GLU 30 2HB GLU 30 -8.149 -1.153 -4.814 224 1HG GLU 30 1HG GLU 30 -7.563 0.169 -6.613 225 2HG GLU 30 2HG GLU 30 -6.484 -1.036 -7.288 226 H PHE 31 H PHE 31 -5.502 0.323 -5.766 227 HA PHE 31 HA PHE 31 -5.223 1.309 -3.051 228 1HB PHE 31 1HB PHE 31 -3.065 1.096 -5.220 229 2HB PHE 31 2HB PHE 31 -2.933 2.294 -3.948 230 HD1 PHE 31 HD1 PHE 31 -3.181 -1.356 -4.552 231 HD2 PHE 31 HD2 PHE 31 -2.077 1.713 -1.838 232 HE1 PHE 31 HE1 PHE 31 -2.111 -3.065 -3.056 233 HE2 PHE 31 HE2 PHE 31 -1.006 0.005 -0.342 234 HZ PHE 31 HZ PHE 31 -1.037 -2.364 -0.969 235 H VAL 32 H VAL 32 -6.037 3.355 -2.904 236 HA VAL 32 HA VAL 32 -6.115 4.922 -5.385 237 HB VAL 32 HB VAL 32 -8.298 3.771 -4.683 238 1HG1 VAL 32 1HG1 VAL 32 -8.056 4.301 -2.254 239 2HG1 VAL 32 2HG1 VAL 32 -8.330 6.017 -2.642 240 3HG1 VAL 32 3HG1 VAL 32 -9.610 4.820 -2.950 241 1HG2 VAL 32 1HG2 VAL 32 -8.080 5.647 -6.318 242 2HG2 VAL 32 2HG2 VAL 32 -9.625 5.644 -5.434 243 3HG2 VAL 32 3HG2 VAL 32 -8.342 6.792 -4.981 244 H MET 33 H MET 33 -5.735 7.153 -5.144 245 HA MET 33 HA MET 33 -4.497 7.790 -2.619 246 1HB MET 33 1HB MET 33 -3.645 8.244 -5.123 247 2HB MET 33 2HB MET 33 -4.677 9.657 -5.016 248 1HG MET 33 1HG MET 33 -2.867 9.211 -2.673 249 2HG MET 33 2HG MET 33 -2.065 9.616 -4.178 250 1HE MET 33 1HE MET 33 -1.823 11.394 -5.148 251 2HE MET 33 2HE MET 33 -3.143 12.536 -5.493 252 3HE MET 33 3HE MET 33 -1.894 12.955 -4.296 253 H ASN 34 H ASN 34 -5.642 8.801 -1.032 254 HA ASN 34 HA ASN 34 -8.174 9.888 -1.617 255 1HB ASN 34 1HB ASN 34 -6.472 9.413 0.790 256 2HB ASN 34 2HB ASN 34 -7.546 10.790 0.940 257 1HD2 ASN 34 2HD2 ASN 34 -9.352 10.315 1.906 258 2HD2 ASN 34 1HD2 ASN 34 -10.278 8.858 1.761 259 H LYS 35 H LYS 35 -5.259 11.343 0.036 260 HA LYS 35 HA LYS 35 -5.112 13.554 -1.690 261 1HB LYS 35 1HB LYS 35 -5.792 15.171 0.326 262 2HB LYS 35 2HB LYS 35 -6.928 14.659 -0.906 263 1HG LYS 35 1HG LYS 35 -7.909 14.360 1.342 264 2HG LYS 35 2HG LYS 35 -7.716 12.808 0.551 265 1HD LYS 35 1HD LYS 35 -6.880 12.432 2.742 266 2HD LYS 35 2HD LYS 35 -5.433 12.638 1.776 267 1HE LYS 35 1HE LYS 35 -5.375 13.941 3.931 268 2HE LYS 35 2HE LYS 35 -5.172 14.950 2.513 269 1HZ LYS 35 1HZ LYS 35 -7.795 14.517 3.748 270 2HZ LYS 35 2HZ LYS 35 -6.805 15.734 4.201 271 3HZ LYS 35 3HZ LYS 35 -7.374 15.670 2.672 272 H VAL 36 H VAL 36 -3.955 15.445 0.048 273 HA VAL 36 HA VAL 36 -1.937 15.884 0.858 274 HB VAL 36 HB VAL 36 -3.208 15.079 2.837 275 1HG1 VAL 36 1HG1 VAL 36 -1.908 12.469 2.068 276 2HG1 VAL 36 2HG1 VAL 36 -2.327 12.818 3.763 277 3HG1 VAL 36 3HG1 VAL 36 -3.598 12.799 2.517 278 1HG2 VAL 36 1HG2 VAL 36 -0.365 15.419 2.542 279 2HG2 VAL 36 2HG2 VAL 36 -1.416 15.859 3.910 280 3HG2 VAL 36 3HG2 VAL 36 -0.689 14.236 3.831 281 H GLY 37 H GLY 37 -1.849 14.451 -1.563 282 1HA GLY 37 1HA GLY 37 0.102 12.313 -1.234 283 2HA GLY 37 2HA GLY 37 -0.669 12.842 -2.716 284 HA PRO 38 HA PRO 38 0.467 12.287 -3.998 285 1HB PRO 38 1HB PRO 38 2.659 11.364 -5.344 286 2HB PRO 38 2HB PRO 38 1.621 12.635 -5.960 287 1HG PRO 38 1HG PRO 38 4.320 12.857 -4.775 288 2HG PRO 38 2HG PRO 38 3.457 14.017 -5.765 289 1HD PRO 38 1HD PRO 38 3.826 14.126 -2.922 290 2HD PRO 38 2HD PRO 38 2.865 15.221 -3.898 291 H HIS 39 H HIS 39 1.091 9.825 -4.414 292 HA HIS 39 HA HIS 39 2.426 8.929 -1.983 293 1HB HIS 39 1HB HIS 39 -0.271 7.924 -2.935 294 2HB HIS 39 2HB HIS 39 0.661 7.243 -1.617 295 HD2 HIS 39 HD2 HIS 39 -1.205 10.665 -2.398 296 HE1 HIS 39 HE1 HIS 39 -0.910 10.170 1.818 297 HE2 HIS 39 HE2 HIS 39 -1.798 11.637 -0.119 298 H ASN 40 H ASN 40 2.242 6.199 -2.303 299 HA ASN 40 HA ASN 40 2.681 5.483 -5.001 300 1HB ASN 40 1HB ASN 40 5.055 4.854 -4.809 301 2HB ASN 40 2HB ASN 40 4.893 6.559 -4.432 302 1HD2 ASN 40 2HD2 ASN 40 7.101 5.323 -3.618 303 2HD2 ASN 40 1HD2 ASN 40 7.128 5.074 -1.904 304 H VAL 41 H VAL 41 4.084 3.075 -4.652 305 HA VAL 41 HA VAL 41 2.839 1.768 -2.352 306 HB VAL 41 HB VAL 41 2.602 0.960 -5.253 307 1HG1 VAL 41 1HG1 VAL 41 2.625 -0.691 -2.821 308 2HG1 VAL 41 2HG1 VAL 41 1.167 -0.906 -3.818 309 3HG1 VAL 41 3HG1 VAL 41 2.778 -1.161 -4.531 310 1HG2 VAL 41 1HG2 VAL 41 0.905 2.413 -3.485 311 2HG2 VAL 41 2HG2 VAL 41 0.568 1.865 -5.145 312 3HG2 VAL 41 3HG2 VAL 41 0.156 0.822 -3.763 313 H ILE 42 H ILE 42 4.874 1.656 -1.323 314 HA ILE 42 HA ILE 42 6.799 -0.057 -2.734 315 HB ILE 42 HB ILE 42 7.418 2.118 -0.734 316 1HG1 ILE 42 1HG1 ILE 42 6.506 2.954 -2.926 317 2HG1 ILE 42 2HG1 ILE 42 8.117 3.511 -2.517 318 1HG2 ILE 42 1HG2 ILE 42 8.978 0.156 -0.828 319 2HG2 ILE 42 2HG2 ILE 42 9.303 0.572 -2.528 320 3HG2 ILE 42 3HG2 ILE 42 9.717 1.723 -1.236 321 1HD1 ILE 42 1HD1 ILE 42 8.073 0.964 -4.051 322 2HD1 ILE 42 2HD1 ILE 42 7.431 2.373 -4.929 323 3HD1 ILE 42 3HD1 ILE 42 9.086 2.411 -4.274 324 H PHE 43 H PHE 43 6.743 -2.066 -1.892 325 HA PHE 43 HA PHE 43 5.667 -2.496 0.714 326 1HB PHE 43 1HB PHE 43 7.064 -4.186 -1.437 327 2HB PHE 43 2HB PHE 43 6.474 -4.900 0.050 328 HD1 PHE 43 HD1 PHE 43 4.059 -5.043 0.488 329 HD2 PHE 43 HD2 PHE 43 5.545 -3.517 -3.183 330 HE1 PHE 43 HE1 PHE 43 1.792 -5.328 -0.548 331 HE2 PHE 43 HE2 PHE 43 3.277 -3.802 -4.219 332 HZ PHE 43 HZ PHE 43 1.427 -4.704 -2.889 333 H ASP 44 H ASP 44 6.824 -3.770 2.420 334 HA ASP 44 HA ASP 44 9.459 -2.659 2.714 335 1HB ASP 44 1HB ASP 44 7.406 -3.016 4.478 336 2HB ASP 44 2HB ASP 44 8.287 -4.502 4.773 337 H LYS 45 H LYS 45 7.727 -5.857 2.817 338 HA LYS 45 HA LYS 45 9.488 -7.314 1.384 339 1HB LYS 45 1HB LYS 45 10.687 -6.623 3.918 340 2HB LYS 45 2HB LYS 45 10.455 -8.357 3.831 341 1HG LYS 45 1HG LYS 45 11.440 -8.092 1.378 342 2HG LYS 45 2HG LYS 45 12.061 -6.570 1.986 343 1HD LYS 45 1HD LYS 45 12.534 -8.809 3.857 344 2HD LYS 45 2HD LYS 45 13.270 -9.081 2.290 345 1HE LYS 45 1HE LYS 45 14.576 -7.067 2.425 346 2HE LYS 45 2HE LYS 45 13.607 -6.424 3.735 347 1HZ LYS 45 1HZ LYS 45 14.405 -8.349 5.060 348 2HZ LYS 45 2HZ LYS 45 15.459 -8.694 3.861 349 3HZ LYS 45 3HZ LYS 45 15.568 -7.273 4.660 350 H VAL 46 H VAL 46 8.791 -9.480 1.218 351 HA VAL 46 HA VAL 46 6.596 -10.163 3.049 352 HB VAL 46 HB VAL 46 5.384 -11.100 1.221 353 1HG1 VAL 46 1HG1 VAL 46 6.175 -8.296 1.262 354 2HG1 VAL 46 2HG1 VAL 46 5.669 -8.820 -0.362 355 3HG1 VAL 46 3HG1 VAL 46 4.570 -9.026 1.022 356 1HG2 VAL 46 1HG2 VAL 46 7.953 -10.737 -0.253 357 2HG2 VAL 46 2HG2 VAL 46 6.766 -12.061 -0.322 358 3HG2 VAL 46 3HG2 VAL 46 6.442 -10.531 -1.172 359 HA PRO 47 HA PRO 47 8.683 -13.906 3.588 360 1HB PRO 47 1HB PRO 47 6.658 -15.655 4.141 361 2HB PRO 47 2HB PRO 47 7.303 -14.532 5.322 362 1HG PRO 47 1HG PRO 47 4.749 -14.397 3.839 363 2HG PRO 47 2HG PRO 47 5.219 -13.547 5.298 364 1HD PRO 47 1HD PRO 47 5.099 -12.465 2.644 365 2HD PRO 47 2HD PRO 47 5.678 -11.649 4.082 366 H ALA 48 H ALA 48 9.122 -16.150 2.875 367 HA ALA 48 HA ALA 48 9.436 -16.311 0.224 368 1HB ALA 48 1HB ALA 48 10.186 -17.902 2.087 369 2HB ALA 48 2HB ALA 48 8.610 -18.707 1.896 370 3HB ALA 48 3HB ALA 48 9.755 -18.655 0.533 371 H GLY 49 H GLY 49 8.209 -16.571 -1.597 372 1HA GLY 49 1HA GLY 49 6.190 -17.934 -2.352 373 2HA GLY 49 2HA GLY 49 5.317 -16.974 -1.174 374 H GLU 50 H GLU 50 5.810 -14.450 -1.369 375 HA GLU 50 HA GLU 50 5.383 -13.864 -4.173 376 1HB GLU 50 1HB GLU 50 4.197 -12.948 -1.748 377 2HB GLU 50 2HB GLU 50 5.054 -11.572 -2.415 378 1HG GLU 50 1HG GLU 50 3.386 -13.245 -4.294 379 2HG GLU 50 2HG GLU 50 2.551 -12.177 -3.184 380 H SER 51 H SER 51 6.141 -11.236 -4.436 381 HA SER 51 HA SER 51 8.917 -11.208 -3.567 382 1HB SER 51 1HB SER 51 8.006 -11.604 -6.245 383 2HB SER 51 2HB SER 51 8.640 -9.971 -6.181 384 HG SER 51 HG SER 51 10.660 -10.704 -5.734 385 H ALA 52 H ALA 52 8.049 -9.703 -1.909 386 HA ALA 52 HA ALA 52 6.598 -7.427 -2.474 387 1HB ALA 52 1HB ALA 52 7.828 -8.635 -0.264 388 2HB ALA 52 2HB ALA 52 8.600 -7.036 -0.380 389 3HB ALA 52 3HB ALA 52 6.829 -7.162 -0.249 390 HA PRO 53 HA PRO 53 10.740 -5.272 -3.236 391 1HB PRO 53 1HB PRO 53 13.043 -6.732 -3.422 392 2HB PRO 53 2HB PRO 53 12.524 -5.943 -1.944 393 1HG PRO 53 1HG PRO 53 12.435 -8.814 -2.642 394 2HG PRO 53 2HG PRO 53 12.330 -8.065 -1.061 395 1HD PRO 53 1HD PRO 53 10.162 -9.153 -2.592 396 2HD PRO 53 2HD PRO 53 10.043 -8.301 -1.065 397 H ALA 54 H ALA 54 8.940 -6.094 -5.032 398 HA ALA 54 HA ALA 54 10.557 -6.014 -7.404 399 1HB ALA 54 1HB ALA 54 10.011 -8.531 -6.450 400 2HB ALA 54 2HB ALA 54 8.616 -8.248 -7.519 401 3HB ALA 54 3HB ALA 54 10.271 -8.135 -8.165 402 H LEU 55 H LEU 55 7.305 -6.502 -5.897 403 HA LEU 55 HA LEU 55 5.928 -5.417 -8.123 404 1HB LEU 55 1HB LEU 55 5.267 -6.298 -5.360 405 2HB LEU 55 2HB LEU 55 4.142 -5.212 -6.153 406 HG LEU 55 HG LEU 55 5.052 -7.900 -7.219 407 1HD1 LEU 55 1HD1 LEU 55 3.046 -7.204 -5.298 408 2HD1 LEU 55 2HD1 LEU 55 2.255 -7.815 -6.772 409 3HD1 LEU 55 3HD1 LEU 55 3.482 -8.805 -5.945 410 1HD2 LEU 55 1HD2 LEU 55 3.493 -5.675 -8.424 411 2HD2 LEU 55 2HD2 LEU 55 4.543 -6.895 -9.185 412 3HD2 LEU 55 3HD2 LEU 55 2.887 -7.327 -8.693 413 H SER 56 H SER 56 7.435 -4.116 -5.173 414 HA SER 56 HA SER 56 6.220 -1.773 -4.853 415 1HB SER 56 1HB SER 56 9.241 -1.795 -4.962 416 2HB SER 56 2HB SER 56 8.191 -1.006 -3.802 417 HG SER 56 HG SER 56 7.539 -3.434 -3.351 418 H ASN 57 H ASN 57 5.751 -0.014 -6.125 419 HA ASN 57 HA ASN 57 7.483 0.377 -8.439 420 1HB ASN 57 1HB ASN 57 5.081 -0.469 -8.911 421 2HB ASN 57 2HB ASN 57 4.506 1.070 -8.300 422 1HD2 ASN 57 2HD2 ASN 57 3.808 0.492 -10.763 423 2HD2 ASN 57 1HD2 ASN 57 4.685 1.395 -11.953 424 H THR 58 H THR 58 8.370 2.463 -8.534 425 HA THR 58 HA THR 58 7.476 4.366 -6.512 426 HB THR 58 HB THR 58 9.904 3.738 -6.757 427 HG1 THR 58 HG1 THR 58 10.097 5.860 -6.167 428 1HG2 THR 58 1HG2 THR 58 9.724 3.588 -9.374 429 2HG2 THR 58 2HG2 THR 58 9.843 5.363 -9.333 430 3HG2 THR 58 3HG2 THR 58 11.169 4.368 -8.687 431 H LYS 59 H LYS 59 5.682 3.788 -8.738 432 HA LYS 59 HA LYS 59 5.957 6.116 -10.441 433 1HB LYS 59 1HB LYS 59 5.067 3.589 -10.919 434 2HB LYS 59 2HB LYS 59 3.545 4.404 -10.619 435 1HG LYS 59 1HG LYS 59 4.486 6.255 -12.247 436 2HG LYS 59 2HG LYS 59 5.621 5.017 -12.747 437 1HD LYS 59 1HD LYS 59 3.746 3.494 -13.326 438 2HD LYS 59 2HD LYS 59 2.585 4.677 -12.760 439 1HE LYS 59 1HE LYS 59 3.222 6.256 -14.514 440 2HE LYS 59 2HE LYS 59 4.588 5.265 -14.987 441 1HZ LYS 59 1HZ LYS 59 2.476 3.588 -15.141 442 2HZ LYS 59 2HZ LYS 59 1.862 4.996 -15.697 443 3HZ LYS 59 3HZ LYS 59 3.185 4.346 -16.402 444 H LEU 60 H LEU 60 5.854 7.516 -8.407 445 HA LEU 60 HA LEU 60 3.586 7.686 -6.848 446 1HB LEU 60 1HB LEU 60 5.106 10.139 -7.621 447 2HB LEU 60 2HB LEU 60 4.444 9.676 -6.067 448 HG LEU 60 HG LEU 60 6.340 7.710 -6.528 449 1HD1 LEU 60 1HD1 LEU 60 7.186 10.261 -7.846 450 2HD1 LEU 60 2HD1 LEU 60 8.392 9.298 -6.960 451 3HD1 LEU 60 3HD1 LEU 60 7.493 8.570 -8.314 452 1HD2 LEU 60 1HD2 LEU 60 5.712 9.418 -4.541 453 2HD2 LEU 60 2HD2 LEU 60 7.183 8.417 -4.557 454 3HD2 LEU 60 3HD2 LEU 60 7.261 10.119 -5.069 455 H ALA 61 H ALA 61 1.522 8.350 -7.178 456 HA ALA 61 HA ALA 61 0.925 9.427 -9.825 457 1HB ALA 61 1HB ALA 61 -0.191 7.365 -8.478 458 2HB ALA 61 2HB ALA 61 -1.225 8.688 -7.890 459 3HB ALA 61 3HB ALA 61 -1.097 8.367 -9.637 460 H ILE 62 H ILE 62 1.060 11.623 -9.917 461 HA ILE 62 HA ILE 62 0.625 13.204 -7.582 462 HB ILE 62 HB ILE 62 1.321 13.717 -10.447 463 1HG1 ILE 62 1HG1 ILE 62 3.313 14.736 -9.439 464 2HG1 ILE 62 2HG1 ILE 62 2.679 14.438 -7.832 465 1HG2 ILE 62 1HG2 ILE 62 0.382 15.775 -8.440 466 2HG2 ILE 62 2HG2 ILE 62 1.404 16.174 -9.842 467 3HG2 ILE 62 3HG2 ILE 62 -0.218 15.480 -10.091 468 1HD1 ILE 62 1HD1 ILE 62 2.959 12.139 -9.788 469 2HD1 ILE 62 2HD1 ILE 62 4.368 12.717 -8.866 470 3HD1 ILE 62 3HD1 ILE 62 2.936 12.097 -8.009 471 H ALA 63 H ALA 63 -1.117 12.702 -10.725 472 HA ALA 63 HA ALA 63 -3.267 14.370 -10.049 473 1HB ALA 63 1HB ALA 63 -2.703 12.218 -12.077 474 2HB ALA 63 2HB ALA 63 -4.370 12.812 -11.884 475 3HB ALA 63 3HB ALA 63 -3.067 13.943 -12.324 476 HA PRO 64 HA PRO 64 -5.466 11.803 -7.342 477 1HB PRO 64 1HB PRO 64 -7.923 12.998 -7.430 478 2HB PRO 64 2HB PRO 64 -6.599 13.601 -6.453 479 1HG PRO 64 1HG PRO 64 -7.664 14.669 -8.996 480 2HG PRO 64 2HG PRO 64 -6.654 15.468 -7.805 481 1HD PRO 64 1HD PRO 64 -5.814 14.402 -10.333 482 2HD PRO 64 2HD PRO 64 -4.787 15.096 -9.093 483 H GLY 65 H GLY 65 -6.300 9.802 -7.381 484 1HA GLY 65 1HA GLY 65 -8.504 9.059 -8.866 485 2HA GLY 65 2HA GLY 65 -7.125 8.802 -9.916 486 H SER 66 H SER 66 -6.835 6.591 -9.923 487 HA SER 66 HA SER 66 -6.358 5.419 -7.303 488 1HB SER 66 1HB SER 66 -8.625 4.828 -8.594 489 2HB SER 66 2HB SER 66 -7.581 3.746 -9.494 490 HG SER 66 HG SER 66 -8.715 3.122 -7.265 491 H PHE 67 H PHE 67 -4.158 5.060 -7.324 492 HA PHE 67 HA PHE 67 -2.453 5.008 -9.347 493 1HB PHE 67 1HB PHE 67 -2.725 3.376 -6.784 494 2HB PHE 67 2HB PHE 67 -1.348 3.063 -7.823 495 HD1 PHE 67 HD1 PHE 67 -3.025 5.671 -5.811 496 HD2 PHE 67 HD2 PHE 67 0.513 4.530 -7.860 497 HE1 PHE 67 HE1 PHE 67 -1.797 7.594 -4.763 498 HE2 PHE 67 HE2 PHE 67 1.740 6.452 -6.812 499 HZ PHE 67 HZ PHE 67 0.571 7.961 -5.276 500 H TYR 68 H TYR 68 -3.538 1.820 -7.985 501 HA TYR 68 HA TYR 68 -4.524 0.739 -10.317 502 1HB TYR 68 1HB TYR 68 -2.382 -0.681 -10.834 503 2HB TYR 68 2HB TYR 68 -2.325 0.997 -11.335 504 HD1 TYR 68 HD1 TYR 68 -1.574 -0.983 -8.225 505 HD2 TYR 68 HD2 TYR 68 -0.344 2.112 -10.911 506 HE1 TYR 68 HE1 TYR 68 0.550 -0.642 -6.872 507 HE2 TYR 68 HE2 TYR 68 1.777 2.442 -9.548 508 HH TYR 68 HH TYR 68 2.743 0.206 -7.150 509 H SER 69 H SER 69 -4.291 -1.826 -10.251 510 HA SER 69 HA SER 69 -4.372 -2.531 -7.420 511 1HB SER 69 1HB SER 69 -5.896 -4.475 -8.555 512 2HB SER 69 2HB SER 69 -6.558 -2.973 -7.941 513 HG SER 69 HG SER 69 -7.332 -2.820 -9.947 514 H VAL 70 H VAL 70 -3.929 -4.972 -7.046 515 HA VAL 70 HA VAL 70 -2.396 -6.271 -9.099 516 HB VAL 70 HB VAL 70 -0.456 -6.488 -7.369 517 1HG1 VAL 70 1HG1 VAL 70 -0.458 -5.401 -9.675 518 2HG1 VAL 70 2HG1 VAL 70 -0.709 -3.851 -8.836 519 3HG1 VAL 70 3HG1 VAL 70 0.759 -4.807 -8.520 520 1HG2 VAL 70 1HG2 VAL 70 -1.823 -3.933 -6.483 521 2HG2 VAL 70 2HG2 VAL 70 -1.370 -5.342 -5.494 522 3HG2 VAL 70 3HG2 VAL 70 -0.106 -4.282 -6.163 523 H THR 71 H THR 71 -2.404 -8.500 -8.808 524 HA THR 71 HA THR 71 -3.933 -9.401 -6.472 525 HB THR 71 HB THR 71 -3.314 -10.737 -9.161 526 HG1 THR 71 HG1 THR 71 -4.704 -8.742 -9.083 527 1HG2 THR 71 1HG2 THR 71 -3.945 -12.312 -7.252 528 2HG2 THR 71 2HG2 THR 71 -5.447 -11.377 -7.058 529 3HG2 THR 71 3HG2 THR 71 -5.140 -12.265 -8.571 530 H LEU 72 H LEU 72 -3.287 -11.280 -5.276 531 HA LEU 72 HA LEU 72 -0.409 -11.810 -5.514 532 1HB LEU 72 1HB LEU 72 -2.049 -11.326 -3.029 533 2HB LEU 72 2HB LEU 72 -0.461 -12.066 -3.006 534 HG LEU 72 HG LEU 72 -0.511 -9.530 -4.479 535 1HD1 LEU 72 1HD1 LEU 72 -2.226 -9.436 -2.401 536 2HD1 LEU 72 2HD1 LEU 72 -0.705 -9.058 -1.559 537 3HD1 LEU 72 3HD1 LEU 72 -1.236 -8.056 -2.931 538 1HD2 LEU 72 1HD2 LEU 72 1.168 -10.816 -2.335 539 2HD2 LEU 72 2HD2 LEU 72 1.600 -10.395 -4.010 540 3HD2 LEU 72 3HD2 LEU 72 1.396 -9.111 -2.795 541 H GLY 73 H GLY 73 0.152 -13.944 -4.283 542 1HA GLY 73 1HA GLY 73 -2.013 -15.880 -4.245 543 2HA GLY 73 2HA GLY 73 -0.833 -16.098 -5.523 544 H THR 74 H THR 74 -0.323 -14.842 -2.165 545 HA THR 74 HA THR 74 1.025 -17.314 -1.438 546 HB THR 74 HB THR 74 2.363 -14.654 -1.985 547 HG1 THR 74 HG1 THR 74 3.093 -16.205 -3.397 548 1HG2 THR 74 1HG2 THR 74 3.350 -16.766 0.004 549 2HG2 THR 74 2HG2 THR 74 4.286 -15.369 -0.580 550 3HG2 THR 74 3HG2 THR 74 2.849 -15.114 0.440 551 HA PRO 75 HA PRO 75 -0.961 -16.172 2.225 552 1HB PRO 75 1HB PRO 75 -0.262 -18.349 3.722 553 2HB PRO 75 2HB PRO 75 -1.624 -18.341 2.620 554 1HG PRO 75 1HG PRO 75 1.023 -19.612 2.286 555 2HG PRO 75 2HG PRO 75 -0.466 -19.936 1.422 556 1HD PRO 75 1HD PRO 75 1.785 -18.443 0.460 557 2HD PRO 75 2HD PRO 75 0.252 -18.669 -0.357 558 H GLY 76 H GLY 76 -0.588 -15.022 4.081 559 1HA GLY 76 1HA GLY 76 1.225 -15.026 5.899 560 2HA GLY 76 2HA GLY 76 2.285 -14.601 4.570 561 H THR 77 H THR 77 2.370 -12.718 6.387 562 HA THR 77 HA THR 77 0.340 -10.715 5.664 563 HB THR 77 HB THR 77 0.789 -11.563 8.125 564 HG1 THR 77 HG1 THR 77 0.043 -9.479 8.630 565 1HG2 THR 77 1HG2 THR 77 3.379 -11.012 7.729 566 2HG2 THR 77 2HG2 THR 77 2.850 -9.345 8.061 567 3HG2 THR 77 3HG2 THR 77 2.609 -10.615 9.284 568 H TYR 78 H TYR 78 0.875 -9.100 4.342 569 HA TYR 78 HA TYR 78 3.712 -8.765 3.747 570 1HB TYR 78 1HB TYR 78 1.081 -7.685 2.552 571 2HB TYR 78 2HB TYR 78 2.659 -7.429 1.833 572 HD1 TYR 78 HD1 TYR 78 3.634 -10.348 2.523 573 HD2 TYR 78 HD2 TYR 78 0.170 -8.763 0.578 574 HE1 TYR 78 HE1 TYR 78 3.378 -12.508 1.203 575 HE2 TYR 78 HE2 TYR 78 -0.074 -10.927 -0.736 576 HH TYR 78 HH TYR 78 1.677 -12.780 -1.489 577 H SER 79 H SER 79 4.785 -6.746 3.879 578 HA SER 79 HA SER 79 3.283 -4.739 5.369 579 1HB SER 79 1HB SER 79 5.894 -4.263 6.106 580 2HB SER 79 2HB SER 79 4.743 -5.177 7.059 581 HG SER 79 HG SER 79 6.417 -6.402 5.043 582 H PHE 80 H PHE 80 3.539 -2.578 4.675 583 HA PHE 80 HA PHE 80 5.577 -2.045 2.678 584 1HB PHE 80 1HB PHE 80 3.580 -0.887 1.376 585 2HB PHE 80 2HB PHE 80 3.755 -2.623 1.223 586 HD1 PHE 80 HD1 PHE 80 2.314 -4.111 2.697 587 HD2 PHE 80 HD2 PHE 80 1.610 0.050 2.253 588 HE1 PHE 80 HE1 PHE 80 -0.036 -4.421 3.523 589 HE2 PHE 80 HE2 PHE 80 -0.740 -0.259 3.078 590 HZ PHE 80 HZ PHE 80 -1.535 -2.492 3.704 591 H TYR 81 H TYR 81 5.178 0.462 1.957 592 HA TYR 81 HA TYR 81 4.168 2.051 4.141 593 1HB TYR 81 1HB TYR 81 6.494 3.143 4.340 594 2HB TYR 81 2HB TYR 81 6.448 1.493 4.926 595 HD1 TYR 81 HD1 TYR 81 7.278 3.494 1.876 596 HD2 TYR 81 HD2 TYR 81 7.968 -0.093 4.103 597 HE1 TYR 81 HE1 TYR 81 9.177 2.875 0.303 598 HE2 TYR 81 HE2 TYR 81 9.866 -0.701 2.523 599 HH TYR 81 HH TYR 81 10.668 -0.258 0.426 600 H CYS 82 H CYS 82 4.792 4.505 3.623 601 HA CYS 82 HA CYS 82 4.595 4.808 0.714 602 1HB CYS 82 1HB CYS 82 2.425 5.257 1.488 603 2HB CYS 82 2HB CYS 82 2.999 6.133 2.894 604 H THR 83 H THR 83 6.719 5.448 0.279 605 HA THR 83 HA THR 83 8.577 6.597 1.752 606 HB THR 83 HB THR 83 7.759 6.715 -1.100 607 HG1 THR 83 HG1 THR 83 10.237 6.599 0.473 608 1HG2 THR 83 1HG2 THR 83 8.221 9.181 -0.616 609 2HG2 THR 83 2HG2 THR 83 9.831 8.698 -0.030 610 3HG2 THR 83 3HG2 THR 83 9.388 8.433 -1.734 611 HA PRO 84 HA PRO 84 6.795 10.928 1.528 612 1HB PRO 84 1HB PRO 84 4.420 11.426 0.270 613 2HB PRO 84 2HB PRO 84 5.977 11.620 -0.511 614 1HG PRO 84 1HG PRO 84 3.980 9.468 -0.865 615 2HG PRO 84 2HG PRO 84 5.313 9.912 -1.912 616 1HD PRO 84 1HD PRO 84 5.209 7.675 -0.119 617 2HD PRO 84 2HD PRO 84 6.583 8.185 -1.080 618 H HIS 85 H HIS 85 6.098 11.804 3.389 619 HA HIS 85 HA HIS 85 4.737 12.132 5.104 620 1HB HIS 85 1HB HIS 85 2.731 10.052 4.446 621 2HB HIS 85 2HB HIS 85 2.510 11.697 5.009 622 HD2 HIS 85 HD2 HIS 85 3.821 13.368 2.518 623 HE1 HIS 85 HE1 HIS 85 1.165 11.120 0.068 624 HE2 HIS 85 HE2 HIS 85 2.637 13.240 0.266 625 H ARG 86 H ARG 86 6.359 9.357 4.189 626 HA ARG 86 HA ARG 86 5.733 7.388 5.839 627 1HB ARG 86 1HB ARG 86 8.217 6.869 5.946 628 2HB ARG 86 2HB ARG 86 7.640 7.220 4.329 629 1HG ARG 86 1HG ARG 86 8.401 9.621 4.631 630 2HG ARG 86 2HG ARG 86 9.077 9.174 6.185 631 1HD ARG 86 1HD ARG 86 10.386 7.327 4.868 632 2HD ARG 86 2HD ARG 86 9.938 8.216 3.428 633 HE ARG 86 HE ARG 86 11.009 10.093 5.281 634 1HH1 ARG 86 2HH1 ARG 86 12.087 7.335 3.380 635 2HH1 ARG 86 1HH1 ARG 86 13.720 7.899 3.252 636 1HH2 ARG 86 1HH2 ARG 86 13.162 10.837 5.112 637 2HH2 ARG 86 2HH2 ARG 86 14.335 9.904 4.244 638 H GLY 87 H GLY 87 7.469 10.426 6.704 639 1HA GLY 87 1HA GLY 87 8.126 9.696 9.358 640 2HA GLY 87 2HA GLY 87 8.069 11.313 8.684 641 H ALA 88 H ALA 88 5.263 11.241 7.809 642 HA ALA 88 HA ALA 88 4.061 12.104 10.189 643 1HB ALA 88 1HB ALA 88 3.525 12.058 7.369 644 2HB ALA 88 2HB ALA 88 2.089 11.442 8.223 645 3HB ALA 88 3HB ALA 88 2.748 13.044 8.632 646 H GLY 89 H GLY 89 4.667 8.953 8.936 647 1HA GLY 89 1HA GLY 89 4.267 7.001 10.100 648 2HA GLY 89 2HA GLY 89 3.016 7.792 11.040 649 H MET 90 H MET 90 3.802 6.477 7.776 650 HA MET 90 HA MET 90 0.952 5.935 7.498 651 1HB MET 90 1HB MET 90 1.674 7.849 6.019 652 2HB MET 90 2HB MET 90 2.914 6.833 5.311 653 1HG MET 90 1HG MET 90 1.410 5.669 4.002 654 2HG MET 90 2HG MET 90 0.173 5.658 5.243 655 1HE MET 90 1HE MET 90 -0.412 5.751 2.586 656 2HE MET 90 2HE MET 90 -1.549 7.090 2.292 657 3HE MET 90 3HE MET 90 0.093 7.149 1.606 658 H VAL 91 H VAL 91 1.351 3.767 8.280 659 HA VAL 91 HA VAL 91 2.781 2.126 6.307 660 HB VAL 91 HB VAL 91 3.374 0.639 8.209 661 1HG1 VAL 91 1HG1 VAL 91 4.526 3.170 7.478 662 2HG1 VAL 91 2HG1 VAL 91 4.813 2.871 9.209 663 3HG1 VAL 91 3HG1 VAL 91 5.337 1.674 8.001 664 1HG2 VAL 91 1HG2 VAL 91 2.179 2.905 9.819 665 2HG2 VAL 91 2HG2 VAL 91 1.812 1.165 9.901 666 3HG2 VAL 91 3HG2 VAL 91 3.371 1.775 10.505 667 H GLY 92 H GLY 92 1.837 0.065 5.847 668 1HA GLY 92 1HA GLY 92 -0.803 -0.431 7.044 669 2HA GLY 92 2HA GLY 92 -0.671 -0.257 5.304 670 H THR 93 H THR 93 -1.585 -2.657 6.562 671 HA THR 93 HA THR 93 0.589 -4.468 5.767 672 HB THR 93 HB THR 93 -1.270 -5.322 7.961 673 HG1 THR 93 HG1 THR 93 0.897 -3.346 8.137 674 1HG2 THR 93 1HG2 THR 93 1.589 -5.690 7.116 675 2HG2 THR 93 2HG2 THR 93 1.282 -5.681 8.868 676 3HG2 THR 93 3HG2 THR 93 0.463 -6.869 7.827 677 H ILE 94 H ILE 94 -0.081 -6.491 4.861 678 HA ILE 94 HA ILE 94 -2.912 -6.700 4.247 679 HB ILE 94 HB ILE 94 -0.741 -6.350 2.188 680 1HG1 ILE 94 1HG1 ILE 94 -3.436 -4.992 2.396 681 2HG1 ILE 94 2HG1 ILE 94 -1.996 -4.358 3.169 682 1HG2 ILE 94 1HG2 ILE 94 -2.089 -8.366 1.664 683 2HG2 ILE 94 2HG2 ILE 94 -3.555 -7.357 1.689 684 3HG2 ILE 94 3HG2 ILE 94 -2.287 -7.053 0.477 685 1HD1 ILE 94 1HD1 ILE 94 -0.832 -4.366 0.930 686 2HD1 ILE 94 2HD1 ILE 94 -2.366 -4.878 0.184 687 3HD1 ILE 94 3HD1 ILE 94 -2.251 -3.293 0.985 688 H THR 95 H THR 95 -3.488 -8.730 4.780 689 HA THR 95 HA THR 95 -1.396 -10.793 4.632 690 HB THR 95 HB THR 95 -2.434 -10.196 6.888 691 HG1 THR 95 HG1 THR 95 -1.609 -12.380 6.103 692 1HG2 THR 95 1HG2 THR 95 -4.892 -11.017 5.340 693 2HG2 THR 95 2HG2 THR 95 -4.744 -11.598 7.017 694 3HG2 THR 95 3HG2 THR 95 -4.741 -9.850 6.675 695 H VAL 96 H VAL 96 -2.002 -12.949 3.915 696 HA VAL 96 HA VAL 96 -4.348 -12.910 2.156 697 HB VAL 96 HB VAL 96 -1.507 -13.681 1.514 698 1HG1 VAL 96 1HG1 VAL 96 -3.872 -15.076 0.696 699 2HG1 VAL 96 2HG1 VAL 96 -3.204 -14.217 -0.712 700 3HG1 VAL 96 3HG1 VAL 96 -2.185 -15.352 0.204 701 1HG2 VAL 96 1HG2 VAL 96 -2.482 -11.315 1.151 702 2HG2 VAL 96 2HG2 VAL 96 -1.631 -12.094 -0.204 703 3HG2 VAL 96 3HG2 VAL 96 -3.410 -12.056 -0.175 704 H GLU 97 H GLU 97 -5.243 -13.957 4.174 705 HA GLU 97 HA GLU 97 -4.179 -16.442 4.944 706 1HB GLU 97 1HB GLU 97 -6.089 -14.627 5.935 707 2HB GLU 97 2HB GLU 97 -7.022 -16.066 5.574 708 1HG GLU 97 1HG GLU 97 -4.390 -16.385 7.027 709 2HG GLU 97 2HG GLU 97 -5.770 -15.780 7.924
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