NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
12255 | 1spk | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 2.351 -12.584 14.860 2 1HA GLY 1 1HA GLY 1 5.039 -12.956 14.166 3 2HA GLY 1 2HA GLY 1 3.837 -14.208 14.409 4 H SER 2 H SER 2 4.501 -15.532 12.662 5 HA SER 2 HA SER 2 3.783 -14.405 10.082 6 1HB SER 2 1HB SER 2 5.713 -15.455 9.006 7 2HB SER 2 2HB SER 2 6.268 -14.385 10.278 8 HG SER 2 HG SER 2 7.424 -16.224 10.658 9 H SER 3 H SER 3 2.366 -15.730 8.976 10 HA SER 3 HA SER 3 2.419 -18.549 9.648 11 1HB SER 3 1HB SER 3 -0.024 -16.735 9.755 12 2HB SER 3 2HB SER 3 -0.158 -18.478 9.622 13 HG SER 3 HG SER 3 1.307 -18.501 11.611 14 H GLY 4 H GLY 4 3.344 -18.969 7.569 15 1HA GLY 4 1HA GLY 4 3.261 -19.478 5.381 16 2HA GLY 4 2HA GLY 4 1.521 -19.274 5.441 17 H SER 5 H SER 5 1.436 -18.213 3.382 18 HA SER 5 HA SER 5 2.648 -15.560 3.433 19 1HB SER 5 1HB SER 5 2.474 -17.644 1.329 20 2HB SER 5 2HB SER 5 2.029 -16.043 0.770 21 HG SER 5 HG SER 5 4.122 -15.643 0.657 22 H SER 6 H SER 6 1.132 -13.983 3.787 23 HA SER 6 HA SER 6 -1.161 -13.848 2.196 24 1HB SER 6 1HB SER 6 -1.430 -15.322 4.686 25 2HB SER 6 2HB SER 6 -2.392 -13.860 4.773 26 HG SER 6 HG SER 6 -2.489 -15.731 2.563 27 H GLY 7 H GLY 7 -2.478 -11.841 2.772 28 1HA GLY 7 1HA GLY 7 -2.377 -9.599 3.073 29 2HA GLY 7 2HA GLY 7 -2.077 -10.054 4.739 30 H GLN 8 H GLN 8 -0.090 -10.234 1.692 31 HA GLN 8 HA GLN 8 2.317 -9.894 2.810 32 1HB GLN 8 1HB GLN 8 1.131 -9.471 0.157 33 2HB GLN 8 2HB GLN 8 2.482 -8.390 0.434 34 1HG GLN 8 1HG GLN 8 3.229 -10.546 -0.563 35 2HG GLN 8 2HG GLN 8 3.946 -10.287 1.015 36 1HE2 GLN 8 1HE2 GLN 8 3.948 -11.948 2.306 37 2HE2 GLN 8 2HE2 GLN 8 2.817 -13.259 2.342 38 H LYS 9 H LYS 9 3.819 -7.835 2.497 39 HA LYS 9 HA LYS 9 2.313 -5.521 3.502 40 1HB LYS 9 1HB LYS 9 5.035 -6.556 4.338 41 2HB LYS 9 2HB LYS 9 4.415 -4.979 4.781 42 1HG LYS 9 1HG LYS 9 2.302 -6.758 5.393 43 2HG LYS 9 2HG LYS 9 3.747 -7.614 5.891 44 1HD LYS 9 1HD LYS 9 4.171 -4.965 6.782 45 2HD LYS 9 2HD LYS 9 2.473 -5.258 7.101 46 1HE LYS 9 1HE LYS 9 4.402 -7.446 7.850 47 2HE LYS 9 2HE LYS 9 4.421 -5.995 8.833 48 1HZ LYS 9 1HZ LYS 9 2.366 -6.408 9.597 49 2HZ LYS 9 2HZ LYS 9 1.825 -7.091 8.215 50 3HZ LYS 9 3HZ LYS 9 2.749 -7.956 9.246 51 H VAL 10 H VAL 10 2.881 -3.466 2.697 52 HA VAL 10 HA VAL 10 4.859 -3.507 0.531 53 HB VAL 10 HB VAL 10 3.354 -2.023 -0.747 54 1HG1 VAL 10 1HG1 VAL 10 2.655 -4.858 -0.085 55 2HG1 VAL 10 2HG1 VAL 10 1.542 -3.930 -1.118 56 3HG1 VAL 10 3HG1 VAL 10 3.239 -4.147 -1.609 57 1HG2 VAL 10 1HG2 VAL 10 0.816 -2.482 0.167 58 2HG2 VAL 10 2HG2 VAL 10 1.713 -2.291 1.692 59 3HG2 VAL 10 3HG2 VAL 10 1.754 -0.999 0.468 60 H LYS 11 H LYS 11 5.843 -1.388 0.103 61 HA LYS 11 HA LYS 11 5.581 0.401 2.419 62 1HB LYS 11 1HB LYS 11 7.649 -0.606 2.781 63 2HB LYS 11 2HB LYS 11 8.029 -0.708 1.074 64 1HG LYS 11 1HG LYS 11 8.336 1.730 0.937 65 2HG LYS 11 2HG LYS 11 7.785 1.932 2.589 66 1HD LYS 11 1HD LYS 11 10.024 0.000 2.317 67 2HD LYS 11 2HD LYS 11 10.438 1.624 1.806 68 1HE LYS 11 1HE LYS 11 10.282 2.487 3.939 69 2HE LYS 11 2HE LYS 11 8.897 1.497 4.354 70 1HZ LYS 11 1HZ LYS 11 10.503 0.522 5.581 71 2HZ LYS 11 2HZ LYS 11 10.679 -0.374 4.227 72 3HZ LYS 11 3HZ LYS 11 11.714 0.851 4.536 73 H THR 12 H THR 12 5.211 2.534 1.972 74 HA THR 12 HA THR 12 4.713 3.202 -0.786 75 HB THR 12 HB THR 12 3.768 5.247 0.231 76 HG1 THR 12 1HG THR 12 4.240 5.578 2.508 77 1HG2 THR 12 1HG2 THR 12 3.139 2.563 1.353 78 2HG2 THR 12 2HG2 THR 12 2.697 3.913 2.425 79 3HG2 THR 12 3HG2 THR 12 2.032 3.832 0.776 80 H ILE 13 H ILE 13 6.002 4.237 -2.184 81 HA ILE 13 HA ILE 13 8.572 5.131 -1.126 82 HB ILE 13 HB ILE 13 9.236 5.110 -3.526 83 1HG1 ILE 13 1HG1 ILE 13 6.568 3.742 -3.973 84 2HG1 ILE 13 2HG1 ILE 13 6.921 5.396 -4.434 85 1HG2 ILE 13 1HG2 ILE 13 9.763 3.255 -2.038 86 2HG2 ILE 13 2HG2 ILE 13 8.186 2.507 -2.382 87 3HG2 ILE 13 3HG2 ILE 13 9.397 2.666 -3.677 88 1HD1 ILE 13 1HD1 ILE 13 8.972 4.406 -5.712 89 2HD1 ILE 13 2HD1 ILE 13 8.151 2.839 -5.513 90 3HD1 ILE 13 3HD1 ILE 13 7.353 4.154 -6.409 91 H PHE 14 H PHE 14 5.486 6.314 -1.962 92 HA PHE 14 HA PHE 14 6.583 9.007 -2.042 93 1HB PHE 14 1HB PHE 14 4.490 7.832 -3.970 94 2HB PHE 14 2HB PHE 14 5.031 9.499 -3.978 95 HD1 PHE 14 1HD PHE 14 7.924 9.283 -3.772 96 HD2 PHE 14 2HD PHE 14 5.195 6.871 -5.949 97 HE1 PHE 14 1HE PHE 14 9.746 8.684 -5.391 98 HE2 PHE 14 2HE PHE 14 7.017 6.272 -7.569 99 HZ PHE 14 HZ PHE 14 9.270 7.186 -7.271 100 HA PRO 15 HA PRO 15 3.166 9.701 0.532 101 1HB PRO 15 1HB PRO 15 3.008 12.428 0.451 102 2HB PRO 15 2HB PRO 15 4.153 11.564 1.458 103 1HG PRO 15 1HG PRO 15 4.638 13.026 -1.065 104 2HG PRO 15 2HG PRO 15 5.793 12.532 0.157 105 1HD PRO 15 1HD PRO 15 5.349 11.287 -2.388 106 2HD PRO 15 2HD PRO 15 6.420 10.726 -1.120 107 H HIS 16 H HIS 16 0.925 10.099 0.680 108 HA HIS 16 HA HIS 16 -0.353 11.348 -1.503 109 1HB HIS 16 1HB HIS 16 0.226 9.306 -2.677 110 2HB HIS 16 2HB HIS 16 -0.444 8.322 -1.391 111 HD1 HIS 16 1HD HIS 16 -2.995 7.957 -1.351 112 HD2 HIS 16 2HD HIS 16 -1.721 10.618 -4.333 113 HE1 HIS 16 1HE HIS 16 -5.006 8.341 -2.873 114 H THR 17 H THR 17 -1.574 12.531 -0.064 115 HA THR 17 HA THR 17 -2.878 11.123 2.126 116 HB THR 17 HB THR 17 -2.693 14.075 1.323 117 HG1 THR 17 1HG THR 17 -0.762 13.749 2.351 118 1HG2 THR 17 1HG2 THR 17 -4.660 13.702 2.789 119 2HG2 THR 17 2HG2 THR 17 -3.673 12.704 3.883 120 3HG2 THR 17 3HG2 THR 17 -3.346 14.447 3.731 121 H ALA 18 H ALA 18 -5.182 11.319 2.540 122 HA ALA 18 HA ALA 18 -6.638 10.901 0.099 123 1HB ALA 18 1HB ALA 18 -7.318 10.776 3.057 124 2HB ALA 18 2HB ALA 18 -8.516 10.482 1.774 125 3HB ALA 18 3HB ALA 18 -7.095 9.421 1.925 126 H GLY 19 H GLY 19 -7.151 13.043 2.999 127 1HA GLY 19 1HA GLY 19 -7.632 15.281 3.011 128 2HA GLY 19 2HA GLY 19 -7.717 15.293 1.261 129 H ASN 20 H ASN 20 -9.464 14.041 4.183 130 HA ASN 20 HA ASN 20 -11.595 14.219 4.687 131 1HB ASN 20 1HB ASN 20 -11.519 16.098 2.655 132 2HB ASN 20 2HB ASN 20 -12.639 14.936 1.972 133 1HD2 ASN 20 1HD2 ASN 20 -13.335 17.531 2.678 134 2HD2 ASN 20 2HD2 ASN 20 -14.474 17.507 3.983 135 H ASN 21 H ASN 21 -11.173 13.305 1.178 136 HA ASN 21 HA ASN 21 -13.138 11.577 0.829 137 1HB ASN 21 1HB ASN 21 -10.364 11.827 -0.188 138 2HB ASN 21 2HB ASN 21 -10.968 10.186 -0.304 139 1HD2 ASN 21 1HD2 ASN 21 -10.664 10.776 -2.618 140 2HD2 ASN 21 2HD2 ASN 21 -12.001 11.467 -3.475 141 H LYS 22 H LYS 22 -13.717 9.494 1.580 142 HA LYS 22 HA LYS 22 -11.867 8.300 3.515 143 1HB LYS 22 1HB LYS 22 -13.914 7.167 4.393 144 2HB LYS 22 2HB LYS 22 -13.925 8.912 4.553 145 1HG LYS 22 1HG LYS 22 -15.072 8.011 1.983 146 2HG LYS 22 2HG LYS 22 -15.930 7.355 3.363 147 1HD LYS 22 1HD LYS 22 -15.223 10.293 3.378 148 2HD LYS 22 2HD LYS 22 -16.548 9.762 2.362 149 1HE LYS 22 1HE LYS 22 -17.897 9.187 4.166 150 2HE LYS 22 2HE LYS 22 -16.544 8.705 5.169 151 1HZ LYS 22 1HZ LYS 22 -16.612 11.493 4.505 152 2HZ LYS 22 2HZ LYS 22 -17.849 10.988 5.444 153 3HZ LYS 22 3HZ LYS 22 -16.308 10.769 5.937 154 H THR 23 H THR 23 -11.793 8.123 0.485 155 HA THR 23 HA THR 23 -12.212 5.213 0.275 156 HB THR 23 HB THR 23 -12.537 5.653 -2.145 157 HG1 THR 23 1HG THR 23 -11.355 7.490 -2.626 158 1HG2 THR 23 1HG2 THR 23 -14.301 7.762 -1.705 159 2HG2 THR 23 2HG2 THR 23 -14.707 6.044 -1.476 160 3HG2 THR 23 3HG2 THR 23 -14.187 7.028 -0.087 161 H LEU 24 H LEU 24 -9.908 7.768 0.469 162 HA LEU 24 HA LEU 24 -7.878 5.971 -0.665 163 1HB LEU 24 1HB LEU 24 -7.581 8.944 -0.326 164 2HB LEU 24 2HB LEU 24 -6.600 7.849 -1.278 165 HG LEU 24 HG LEU 24 -9.504 8.408 -1.912 166 1HD1 LEU 24 1HD1 LEU 24 -8.102 10.497 -1.911 167 2HD1 LEU 24 2HD1 LEU 24 -7.126 9.759 -3.204 168 3HD1 LEU 24 3HD1 LEU 24 -8.856 10.085 -3.469 169 1HD2 LEU 24 1HD2 LEU 24 -8.948 6.469 -3.038 170 2HD2 LEU 24 2HD2 LEU 24 -8.567 7.722 -4.245 171 3HD2 LEU 24 3HD2 LEU 24 -7.260 6.972 -3.297 172 H LEU 25 H LEU 25 -5.919 5.662 0.519 173 HA LEU 25 HA LEU 25 -6.327 6.041 3.372 174 1HB LEU 25 1HB LEU 25 -5.652 3.854 2.105 175 2HB LEU 25 2HB LEU 25 -4.043 4.547 2.139 176 HG LEU 25 HG LEU 25 -4.139 4.672 4.601 177 1HD1 LEU 25 1HD1 LEU 25 -6.042 4.550 5.731 178 2HD1 LEU 25 2HD1 LEU 25 -6.922 4.324 4.200 179 3HD1 LEU 25 3HD1 LEU 25 -6.339 2.909 5.108 180 1HD2 LEU 25 1HD2 LEU 25 -3.924 2.342 2.987 181 2HD2 LEU 25 2HD2 LEU 25 -3.154 2.689 4.554 182 3HD2 LEU 25 3HD2 LEU 25 -4.740 1.883 4.501 183 H SER 26 H SER 26 -5.194 7.472 4.612 184 HA SER 26 HA SER 26 -3.344 9.147 3.144 185 1HB SER 26 1HB SER 26 -3.790 10.842 4.734 186 2HB SER 26 2HB SER 26 -5.340 10.056 4.512 187 HG SER 26 HG SER 26 -5.188 9.065 6.498 188 H PHE 27 H PHE 27 -1.153 8.922 3.440 189 HA PHE 27 HA PHE 27 -0.140 8.180 6.020 190 1HB PHE 27 1HB PHE 27 1.134 6.219 4.918 191 2HB PHE 27 2HB PHE 27 -0.588 5.952 5.102 192 HD1 PHE 27 1HD PHE 27 -1.907 5.427 3.243 193 HD2 PHE 27 2HD PHE 27 1.962 7.062 2.637 194 HE1 PHE 27 1HE PHE 27 -2.098 4.968 0.783 195 HE2 PHE 27 2HE PHE 27 1.771 6.602 0.177 196 HZ PHE 27 HZ PHE 27 -0.257 5.561 -0.721 197 H ALA 28 H ALA 28 2.438 7.828 5.703 198 HA ALA 28 HA ALA 28 3.282 9.947 3.846 199 1HB ALA 28 1HB ALA 28 4.786 10.735 5.473 200 2HB ALA 28 2HB ALA 28 3.335 10.335 6.423 201 3HB ALA 28 3HB ALA 28 4.722 9.220 6.404 202 H GLN 29 H GLN 29 5.386 9.659 2.835 203 HA GLN 29 HA GLN 29 5.762 7.170 1.816 204 1HB GLN 29 1HB GLN 29 6.687 9.188 0.783 205 2HB GLN 29 2HB GLN 29 7.755 9.453 2.147 206 1HG GLN 29 1HG GLN 29 8.820 7.182 1.649 207 2HG GLN 29 2HG GLN 29 7.856 7.115 0.187 208 1HE2 GLN 29 1HE2 GLN 29 10.685 7.112 0.355 209 2HE2 GLN 29 2HE2 GLN 29 11.299 8.514 -0.457 210 H GLY 30 H GLY 30 6.678 5.283 2.532 211 1HA GLY 30 1HA GLY 30 8.541 4.220 3.621 212 2HA GLY 30 2HA GLY 30 8.484 5.452 4.866 213 H ASP 31 H ASP 31 5.523 5.528 5.071 214 HA ASP 31 HA ASP 31 5.131 3.844 7.108 215 1HB ASP 31 1HB ASP 31 3.163 4.863 5.017 216 2HB ASP 31 2HB ASP 31 2.627 3.980 6.432 217 H VAL 32 H VAL 32 3.984 1.738 7.323 218 HA VAL 32 HA VAL 32 4.174 0.136 4.867 219 HB VAL 32 HB VAL 32 4.520 -0.622 7.773 220 1HG1 VAL 32 1HG1 VAL 32 5.220 -2.619 5.730 221 2HG1 VAL 32 2HG1 VAL 32 4.343 -2.806 7.268 222 3HG1 VAL 32 3HG1 VAL 32 3.481 -2.252 5.813 223 1HG2 VAL 32 1HG2 VAL 32 6.637 -1.129 5.747 224 2HG2 VAL 32 2HG2 VAL 32 6.359 0.570 6.200 225 3HG2 VAL 32 3HG2 VAL 32 6.769 -0.628 7.450 226 H LEU 33 H LEU 33 2.370 -0.952 4.156 227 HA LEU 33 HA LEU 33 0.023 -0.795 5.917 228 1HB LEU 33 1HB LEU 33 -0.290 -0.746 2.955 229 2HB LEU 33 2HB LEU 33 -1.334 -0.107 4.209 230 HG LEU 33 HG LEU 33 1.356 1.146 3.709 231 1HD1 LEU 33 1HD1 LEU 33 0.242 0.964 1.513 232 2HD1 LEU 33 2HD1 LEU 33 -1.169 1.822 2.176 233 3HD1 LEU 33 3HD1 LEU 33 0.404 2.648 2.066 234 1HD2 LEU 33 1HD2 LEU 33 0.071 3.190 4.452 235 2HD2 LEU 33 2HD2 LEU 33 -1.273 2.097 4.861 236 3HD2 LEU 33 3HD2 LEU 33 0.297 1.924 5.682 237 H THR 34 H THR 34 -1.205 -2.656 6.130 238 HA THR 34 HA THR 34 0.036 -5.052 5.024 239 HB THR 34 HB THR 34 -2.148 -4.626 7.132 240 HG1 THR 34 1HG THR 34 0.014 -3.791 7.653 241 1HG2 THR 34 1HG2 THR 34 -1.206 -7.018 5.815 242 2HG2 THR 34 2HG2 THR 34 -0.534 -7.002 7.464 243 3HG2 THR 34 3HG2 THR 34 -2.295 -6.902 7.219 244 H LEU 35 H LEU 35 -0.693 -6.095 3.285 245 HA LEU 35 HA LEU 35 -3.004 -5.114 1.956 246 1HB LEU 35 1HB LEU 35 -1.096 -7.392 1.463 247 2HB LEU 35 2HB LEU 35 -2.491 -7.105 0.443 248 HG LEU 35 HG LEU 35 -1.106 -4.627 0.685 249 1HD1 LEU 35 1HD1 LEU 35 1.011 -5.244 1.057 250 2HD1 LEU 35 2HD1 LEU 35 0.680 -6.955 0.696 251 3HD1 LEU 35 3HD1 LEU 35 0.992 -5.810 -0.630 252 1HD2 LEU 35 1HD2 LEU 35 -1.657 -6.600 -1.521 253 2HD2 LEU 35 2HD2 LEU 35 -2.365 -4.991 -1.236 254 3HD2 LEU 35 3HD2 LEU 35 -0.687 -5.136 -1.814 255 H LEU 36 H LEU 36 -4.979 -6.265 1.496 256 HA LEU 36 HA LEU 36 -5.543 -8.336 3.503 257 1HB LEU 36 1HB LEU 36 -7.458 -6.264 2.427 258 2HB LEU 36 2HB LEU 36 -7.806 -7.488 3.631 259 HG LEU 36 HG LEU 36 -5.821 -5.224 3.983 260 1HD1 LEU 36 1HD1 LEU 36 -8.360 -5.372 5.541 261 2HD1 LEU 36 2HD1 LEU 36 -7.408 -3.961 5.019 262 3HD1 LEU 36 3HD1 LEU 36 -8.445 -4.816 3.852 263 1HD2 LEU 36 1HD2 LEU 36 -6.012 -7.666 5.350 264 2HD2 LEU 36 2HD2 LEU 36 -5.100 -6.215 5.833 265 3HD2 LEU 36 3HD2 LEU 36 -6.763 -6.459 6.421 266 H ILE 37 H ILE 37 -6.339 -7.011 0.231 267 HA ILE 37 HA ILE 37 -7.321 -9.671 -0.486 268 HB ILE 37 HB ILE 37 -8.301 -8.552 -2.425 269 1HG1 ILE 37 1HG1 ILE 37 -7.513 -5.892 -1.244 270 2HG1 ILE 37 2HG1 ILE 37 -6.481 -6.707 -2.402 271 1HG2 ILE 37 1HG2 ILE 37 -9.485 -6.769 -0.536 272 2HG2 ILE 37 2HG2 ILE 37 -10.098 -8.323 -1.150 273 3HG2 ILE 37 3HG2 ILE 37 -9.066 -8.284 0.300 274 1HD1 ILE 37 1HD1 ILE 37 -8.521 -6.889 -3.944 275 2HD1 ILE 37 2HD1 ILE 37 -9.363 -5.805 -2.811 276 3HD1 ILE 37 3HD1 ILE 37 -7.910 -5.239 -3.671 277 HA PRO 38 HA PRO 38 -3.654 -10.346 -2.682 278 1HB PRO 38 1HB PRO 38 -4.383 -12.578 -4.080 279 2HB PRO 38 2HB PRO 38 -3.840 -12.625 -2.415 280 1HG PRO 38 1HG PRO 38 -6.584 -12.906 -3.479 281 2HG PRO 38 2HG PRO 38 -5.965 -13.364 -1.905 282 1HD PRO 38 1HD PRO 38 -7.562 -11.061 -2.517 283 2HD PRO 38 2HD PRO 38 -6.846 -11.458 -0.968 284 H GLU 39 H GLU 39 -6.584 -9.503 -4.102 285 HA GLU 39 HA GLU 39 -5.309 -9.302 -6.695 286 1HB GLU 39 1HB GLU 39 -7.889 -10.022 -5.922 287 2HB GLU 39 2HB GLU 39 -8.105 -8.369 -6.463 288 1HG GLU 39 1HG GLU 39 -8.374 -9.605 -8.458 289 2HG GLU 39 2HG GLU 39 -6.708 -9.071 -8.560 290 H GLU 40 H GLU 40 -6.228 -7.144 -7.932 291 HA GLU 40 HA GLU 40 -5.841 -4.941 -6.065 292 1HB GLU 40 1HB GLU 40 -4.472 -3.781 -7.795 293 2HB GLU 40 2HB GLU 40 -3.725 -5.267 -7.244 294 1HG GLU 40 1HG GLU 40 -4.793 -6.441 -9.256 295 2HG GLU 40 2HG GLU 40 -5.291 -4.863 -9.833 296 H LYS 41 H LYS 41 -7.030 -3.014 -6.536 297 HA LYS 41 HA LYS 41 -9.364 -3.499 -8.128 298 1HB LYS 41 1HB LYS 41 -8.967 -2.165 -5.830 299 2HB LYS 41 2HB LYS 41 -8.802 -0.821 -6.942 300 1HG LYS 41 1HG LYS 41 -11.073 -0.719 -6.965 301 2HG LYS 41 2HG LYS 41 -11.035 -2.168 -7.950 302 1HD LYS 41 1HD LYS 41 -10.780 -3.328 -5.503 303 2HD LYS 41 2HD LYS 41 -11.633 -1.875 -5.021 304 1HE LYS 41 1HE LYS 41 -12.781 -3.139 -7.444 305 2HE LYS 41 2HE LYS 41 -12.817 -4.190 -6.042 306 1HZ LYS 41 1HZ LYS 41 -14.288 -2.879 -5.031 307 2HZ LYS 41 2HZ LYS 41 -13.607 -1.482 -5.533 308 3HZ LYS 41 3HZ LYS 41 -14.608 -2.305 -6.526 309 H ASP 42 H ASP 42 -7.799 -3.851 -10.079 310 HA ASP 42 HA ASP 42 -7.136 -3.191 -12.033 311 1HB ASP 42 1HB ASP 42 -8.894 -0.823 -11.307 312 2HB ASP 42 2HB ASP 42 -8.002 -0.822 -12.815 313 H GLY 43 H GLY 43 -5.096 -2.982 -10.353 314 1HA GLY 43 1HA GLY 43 -3.018 -1.911 -10.624 315 2HA GLY 43 2HA GLY 43 -3.832 -0.403 -10.988 316 H TRP 44 H TRP 44 -5.749 -0.263 -8.895 317 HA TRP 44 HA TRP 44 -4.080 0.645 -6.787 318 1HB TRP 44 1HB TRP 44 -7.076 0.414 -7.083 319 2HB TRP 44 2HB TRP 44 -6.291 1.095 -5.672 320 HD1 TRP 44 HD TRP 44 -6.346 1.795 -9.521 321 HE1 TRP 44 1HE TRP 44 -6.123 4.383 -9.990 322 HE3 TRP 44 3HE TRP 44 -5.761 3.160 -4.658 323 HZ2 TRP 44 2HZ TRP 44 -5.736 6.658 -8.312 324 HZ3 TRP 44 3HZ TRP 44 -5.467 5.584 -4.159 325 HH2 TRP 44 HH TRP 44 -5.448 7.308 -5.893 326 H LEU 45 H LEU 45 -4.018 -0.191 -4.589 327 HA LEU 45 HA LEU 45 -4.955 -2.961 -4.363 328 1HB LEU 45 1HB LEU 45 -2.213 -1.889 -4.154 329 2HB LEU 45 2HB LEU 45 -2.692 -2.976 -2.865 330 HG LEU 45 HG LEU 45 -2.869 -3.644 -5.816 331 1HD1 LEU 45 1HD1 LEU 45 -0.830 -4.795 -3.927 332 2HD1 LEU 45 2HD1 LEU 45 -0.831 -4.752 -5.706 333 3HD1 LEU 45 3HD1 LEU 45 -0.527 -3.262 -4.781 334 1HD2 LEU 45 1HD2 LEU 45 -3.864 -5.564 -5.271 335 2HD2 LEU 45 2HD2 LEU 45 -2.766 -5.848 -3.899 336 3HD2 LEU 45 3HD2 LEU 45 -4.197 -4.809 -3.694 337 H TYR 46 H TYR 46 -5.506 -3.629 -2.197 338 HA TYR 46 HA TYR 46 -6.106 -1.315 -0.492 339 1HB TYR 46 1HB TYR 46 -7.792 -3.127 -1.569 340 2HB TYR 46 2HB TYR 46 -7.195 -4.167 -0.292 341 HD1 TYR 46 1HD TYR 46 -8.378 -0.605 -0.565 342 HD2 TYR 46 2HD TYR 46 -8.576 -4.315 1.556 343 HE1 TYR 46 1HE TYR 46 -10.066 0.399 1.050 344 HE2 TYR 46 2HE TYR 46 -10.263 -3.298 3.164 345 HH TYR 46 HH TYR 46 -11.392 -1.549 3.714 346 H GLY 47 H GLY 47 -6.002 -1.673 1.890 347 1HA GLY 47 1HA GLY 47 -4.691 -3.878 3.032 348 2HA GLY 47 2HA GLY 47 -3.494 -2.650 2.675 349 H GLU 48 H GLU 48 -3.477 -2.917 5.220 350 HA GLU 48 HA GLU 48 -5.401 -0.986 6.263 351 1HB GLU 48 1HB GLU 48 -5.741 -3.231 7.226 352 2HB GLU 48 2HB GLU 48 -4.054 -3.321 7.690 353 1HG GLU 48 1HG GLU 48 -4.467 -1.165 9.068 354 2HG GLU 48 2HG GLU 48 -6.177 -1.428 8.785 355 H HIS 49 H HIS 49 -4.608 0.746 7.520 356 HA HIS 49 HA HIS 49 -1.812 1.261 7.150 357 1HB HIS 49 1HB HIS 49 -3.743 2.922 6.884 358 2HB HIS 49 2HB HIS 49 -3.815 2.971 8.634 359 HD1 HIS 49 1HD HIS 49 -1.034 3.288 9.594 360 HD2 HIS 49 2HD HIS 49 -2.326 5.076 6.026 361 HE1 HIS 49 1HE HIS 49 0.574 5.216 9.137 362 H ASP 50 H ASP 50 -0.198 1.237 8.702 363 HA ASP 50 HA ASP 50 -0.901 -0.148 11.107 364 1HB ASP 50 1HB ASP 50 1.240 -0.376 9.518 365 2HB ASP 50 2HB ASP 50 1.863 0.926 10.511 366 H THR 51 H THR 51 -2.102 2.390 11.090 367 HA THR 51 HA THR 51 -0.836 3.631 13.351 368 HB THR 51 HB THR 51 -1.214 5.289 10.811 369 HG1 THR 51 1HG THR 51 1.183 4.143 12.055 370 1HG2 THR 51 1HG2 THR 51 -0.733 6.983 12.276 371 2HG2 THR 51 2HG2 THR 51 -0.417 5.826 13.592 372 3HG2 THR 51 3HG2 THR 51 0.881 6.253 12.452 373 H THR 52 H THR 52 -3.142 4.741 10.786 374 HA THR 52 HA THR 52 -4.988 5.631 12.744 375 HB THR 52 HB THR 52 -6.390 6.035 10.692 376 HG1 THR 52 1HG THR 52 -5.903 4.626 9.059 377 1HG2 THR 52 1HG2 THR 52 -3.477 6.809 10.791 378 2HG2 THR 52 2HG2 THR 52 -4.339 7.073 9.256 379 3HG2 THR 52 3HG2 THR 52 -4.919 7.852 10.748 380 H LYS 53 H LYS 53 -4.350 2.526 11.256 381 HA LYS 53 HA LYS 53 -5.199 0.537 11.768 382 1HB LYS 53 1HB LYS 53 -7.287 1.852 13.517 383 2HB LYS 53 2HB LYS 53 -6.725 0.193 13.572 384 1HG LYS 53 1HG LYS 53 -4.914 2.597 14.083 385 2HG LYS 53 2HG LYS 53 -5.739 1.725 15.359 386 1HD LYS 53 1HD LYS 53 -4.355 -0.153 13.600 387 2HD LYS 53 2HD LYS 53 -3.238 1.075 14.162 388 1HE LYS 53 1HE LYS 53 -3.598 0.537 16.457 389 2HE LYS 53 2HE LYS 53 -5.113 -0.280 16.128 390 1HZ LYS 53 1HZ LYS 53 -3.099 -1.530 14.677 391 2HZ LYS 53 2HZ LYS 53 -2.585 -1.383 16.220 392 3HZ LYS 53 3HZ LYS 53 -3.995 -2.142 15.897 393 H ALA 54 H ALA 54 -6.566 3.036 10.082 394 HA ALA 54 HA ALA 54 -8.943 1.529 9.305 395 1HB ALA 54 1HB ALA 54 -9.036 3.989 9.906 396 2HB ALA 54 2HB ALA 54 -8.056 4.311 8.455 397 3HB ALA 54 3HB ALA 54 -9.675 3.588 8.294 398 H ARG 55 H ARG 55 -9.364 1.104 7.014 399 HA ARG 55 HA ARG 55 -6.847 0.806 5.587 400 1HB ARG 55 1HB ARG 55 -9.448 -0.794 5.390 401 2HB ARG 55 2HB ARG 55 -8.084 -1.031 4.316 402 1HG ARG 55 1HG ARG 55 -6.923 -2.225 5.874 403 2HG ARG 55 2HG ARG 55 -7.247 -1.053 7.137 404 1HD ARG 55 1HD ARG 55 -9.753 -2.281 6.676 405 2HD ARG 55 2HD ARG 55 -8.604 -3.601 6.577 406 HE ARG 55 HE ARG 55 -8.084 -1.865 8.863 407 1HH1 ARG 55 2HH2 ARG 55 -10.038 -4.560 7.723 408 2HH1 ARG 55 1HH2 ARG 55 -10.331 -5.185 9.312 409 1HH2 ARG 55 2HH1 ARG 55 -8.471 -2.689 10.959 410 2HH2 ARG 55 1HH1 ARG 55 -9.434 -4.113 11.165 411 H GLY 56 H GLY 56 -6.691 1.595 3.441 412 1HA GLY 56 1HA GLY 56 -9.126 2.840 2.324 413 2HA GLY 56 2HA GLY 56 -7.616 3.722 2.429 414 H TRP 57 H TRP 57 -8.118 3.795 -0.031 415 HA TRP 57 HA TRP 57 -7.073 1.355 -1.295 416 1HB TRP 57 1HB TRP 57 -8.970 3.476 -2.290 417 2HB TRP 57 2HB TRP 57 -8.141 2.376 -3.373 418 HD1 TRP 57 HD TRP 57 -11.111 2.514 -1.029 419 HE1 TRP 57 1HE TRP 57 -12.470 0.253 -1.003 420 HE3 TRP 57 3HE TRP 57 -7.657 -0.201 -3.589 421 HZ2 TRP 57 2HZ TRP 57 -11.959 -2.360 -2.033 422 HZ3 TRP 57 3HZ TRP 57 -8.165 -2.600 -4.037 423 HH2 TRP 57 HH TRP 57 -10.230 -3.683 -3.304 424 H PHE 58 H PHE 58 -5.174 1.532 -2.488 425 HA PHE 58 HA PHE 58 -4.191 4.215 -3.047 426 1HB PHE 58 1HB PHE 58 -1.944 3.425 -2.099 427 2HB PHE 58 2HB PHE 58 -3.190 3.591 -0.877 428 HD1 PHE 58 1HD PHE 58 -1.332 1.148 -2.927 429 HD2 PHE 58 2HD PHE 58 -3.947 1.712 0.368 430 HE1 PHE 58 1HE PHE 58 -0.958 -1.232 -2.222 431 HE2 PHE 58 2HE PHE 58 -3.572 -0.667 1.073 432 HZ PHE 58 HZ PHE 58 -2.082 -2.111 -0.230 433 HA PRO 59 HA PRO 59 -2.856 2.254 -6.670 434 1HB PRO 59 1HB PRO 59 -0.949 3.998 -7.559 435 2HB PRO 59 2HB PRO 59 -2.667 4.263 -7.779 436 1HG PRO 59 1HG PRO 59 -0.819 5.570 -5.878 437 2HG PRO 59 2HG PRO 59 -2.404 6.099 -6.408 438 1HD PRO 59 1HD PRO 59 -1.752 4.879 -3.895 439 2HD PRO 59 2HD PRO 59 -3.352 5.301 -4.471 440 H SER 60 H SER 60 -1.827 0.385 -6.938 441 HA SER 60 HA SER 60 0.099 -0.426 -5.235 442 1HB SER 60 1HB SER 60 0.506 -2.245 -6.758 443 2HB SER 60 2HB SER 60 -1.187 -1.821 -6.918 444 HG SER 60 HG SER 60 -0.855 -1.390 -8.982 445 H SER 61 H SER 61 0.364 1.804 -7.931 446 HA SER 61 HA SER 61 3.101 1.430 -8.414 447 1HB SER 61 1HB SER 61 0.971 2.962 -9.501 448 2HB SER 61 2HB SER 61 2.172 4.136 -9.000 449 HG SER 61 HG SER 61 2.625 3.465 -11.145 450 H TYR 62 H TYR 62 1.172 3.339 -6.109 451 HA TYR 62 HA TYR 62 3.451 4.918 -5.291 452 1HB TYR 62 1HB TYR 62 0.483 4.584 -4.729 453 2HB TYR 62 2HB TYR 62 1.436 5.321 -3.457 454 HD1 TYR 62 1HD TYR 62 0.976 7.599 -3.421 455 HD2 TYR 62 2HD TYR 62 1.580 5.673 -7.193 456 HE1 TYR 62 1HE TYR 62 0.807 9.843 -4.602 457 HE2 TYR 62 2HE TYR 62 1.409 7.924 -8.362 458 HH TYR 62 HH TYR 62 0.662 10.042 -8.081 459 H THR 63 H THR 63 3.005 1.762 -4.965 460 HA THR 63 HA THR 63 4.191 1.734 -2.306 461 HB THR 63 HB THR 63 2.561 -0.168 -1.705 462 HG1 THR 63 1HG THR 63 1.973 -0.233 -4.120 463 1HG2 THR 63 1HG2 THR 63 0.677 1.306 -1.130 464 2HG2 THR 63 2HG2 THR 63 2.190 2.207 -0.867 465 3HG2 THR 63 3HG2 THR 63 1.214 2.512 -2.324 466 H LYS 64 H LYS 64 5.427 -0.175 -1.857 467 HA LYS 64 HA LYS 64 5.858 -1.856 -4.215 468 1HB LYS 64 1HB LYS 64 8.103 -0.671 -2.562 469 2HB LYS 64 2HB LYS 64 8.254 -1.682 -3.985 470 1HG LYS 64 1HG LYS 64 6.652 0.308 -4.989 471 2HG LYS 64 2HG LYS 64 7.538 1.216 -3.780 472 1HD LYS 64 1HD LYS 64 9.374 1.271 -5.106 473 2HD LYS 64 2HD LYS 64 9.419 -0.480 -5.171 474 1HE LYS 64 1HE LYS 64 7.524 -0.277 -6.962 475 2HE LYS 64 2HE LYS 64 7.953 1.420 -7.042 476 1HZ LYS 64 1HZ LYS 64 9.714 -0.863 -7.584 477 2HZ LYS 64 2HZ LYS 64 9.210 0.273 -8.643 478 3HZ LYS 64 3HZ LYS 64 10.259 0.671 -7.457 479 H LEU 65 H LEU 65 6.781 -3.981 -3.698 480 HA LEU 65 HA LEU 65 5.639 -4.987 -1.295 481 1HB LEU 65 1HB LEU 65 7.123 -6.117 -3.632 482 2HB LEU 65 2HB LEU 65 6.951 -7.086 -2.182 483 HG LEU 65 HG LEU 65 4.457 -5.848 -3.218 484 1HD1 LEU 65 1HD1 LEU 65 5.592 -8.256 -4.645 485 2HD1 LEU 65 2HD1 LEU 65 4.147 -7.299 -5.051 486 3HD1 LEU 65 3HD1 LEU 65 5.769 -6.596 -5.262 487 1HD2 LEU 65 1HD2 LEU 65 5.293 -8.124 -1.591 488 2HD2 LEU 65 2HD2 LEU 65 3.745 -7.246 -1.635 489 3HD2 LEU 65 3HD2 LEU 65 4.061 -8.553 -2.802 490 H LEU 66 H LEU 66 6.593 -5.501 0.645 491 HA LEU 66 HA LEU 66 8.982 -4.222 1.306 492 1HB LEU 66 1HB LEU 66 7.389 -6.386 2.679 493 2HB LEU 66 2HB LEU 66 8.789 -5.615 3.397 494 HG LEU 66 HG LEU 66 6.030 -4.637 3.092 495 1HD1 LEU 66 1HD1 LEU 66 7.215 -3.127 5.020 496 2HD1 LEU 66 2HD1 LEU 66 6.481 -4.726 5.290 497 3HD1 LEU 66 3HD1 LEU 66 8.238 -4.584 5.046 498 1HD2 LEU 66 1HD2 LEU 66 7.156 -3.204 1.430 499 2HD2 LEU 66 2HD2 LEU 66 6.583 -2.290 2.846 500 3HD2 LEU 66 3HD2 LEU 66 8.311 -2.684 2.681 501 H SER 67 H SER 67 10.711 -5.785 2.620 502 HA SER 67 HA SER 67 11.445 -7.834 0.682 503 1HB SER 67 1HB SER 67 13.066 -5.536 1.756 504 2HB SER 67 2HB SER 67 13.897 -7.052 1.470 505 HG SER 67 HG SER 67 12.945 -6.986 -0.749 506 H GLY 68 H GLY 68 10.371 -9.290 2.277 507 1HA GLY 68 1HA GLY 68 11.204 -11.048 3.671 508 2HA GLY 68 2HA GLY 68 12.177 -9.877 4.540 509 HA PRO 69 HA PRO 69 7.935 -10.346 6.431 510 1HB PRO 69 1HB PRO 69 8.289 -12.347 8.258 511 2HB PRO 69 2HB PRO 69 7.555 -12.602 6.688 512 1HG PRO 69 1HG PRO 69 10.266 -13.338 7.608 513 2HG PRO 69 2HG PRO 69 9.374 -13.944 6.226 514 1HD PRO 69 1HD PRO 69 11.522 -12.043 6.183 515 2HD PRO 69 2HD PRO 69 10.553 -12.561 4.818 516 H SER 70 H SER 70 7.433 -10.438 9.026 517 HA SER 70 HA SER 70 9.648 -9.187 10.350 518 1HB SER 70 1HB SER 70 8.822 -7.163 9.492 519 2HB SER 70 2HB SER 70 7.155 -7.702 9.525 520 HG SER 70 HG SER 70 8.434 -7.566 12.045 521 H SER 71 H SER 71 9.260 -11.356 11.435 522 HA SER 71 HA SER 71 6.829 -11.507 12.951 523 1HB SER 71 1HB SER 71 7.471 -13.735 13.465 524 2HB SER 71 2HB SER 71 8.022 -13.490 11.820 525 HG SER 71 HG SER 71 9.763 -14.406 12.874 526 H GLY 72 H GLY 72 6.658 -11.224 15.209 527 1HA GLY 72 1HA GLY 72 8.885 -11.101 16.948 528 2HA GLY 72 2HA GLY 72 8.415 -9.480 16.476 Start of MODEL 2 1 1H GLY 1 H GLY 1 10.487 -13.900 8.891 2 1HA GLY 1 1HA GLY 1 8.419 -13.013 8.832 3 2HA GLY 1 2HA GLY 1 8.459 -13.119 7.083 4 H SER 2 H SER 2 7.010 -14.483 6.128 5 HA SER 2 HA SER 2 6.363 -16.931 7.483 6 1HB SER 2 1HB SER 2 4.269 -14.814 6.831 7 2HB SER 2 2HB SER 2 3.869 -16.485 7.176 8 HG SER 2 HG SER 2 4.077 -16.092 9.265 9 H SER 3 H SER 3 6.620 -18.457 5.897 10 HA SER 3 HA SER 3 6.905 -17.846 3.254 11 1HB SER 3 1HB SER 3 7.405 -20.033 4.672 12 2HB SER 3 2HB SER 3 5.827 -20.541 4.105 13 HG SER 3 HG SER 3 7.428 -21.276 2.637 14 H GLY 4 H GLY 4 5.497 -18.511 1.365 15 1HA GLY 4 1HA GLY 4 3.502 -18.759 0.303 16 2HA GLY 4 2HA GLY 4 2.686 -18.909 1.846 17 H SER 5 H SER 5 1.949 -17.281 -0.560 18 HA SER 5 HA SER 5 2.410 -14.593 0.354 19 1HB SER 5 1HB SER 5 2.160 -15.704 -2.155 20 2HB SER 5 2HB SER 5 0.544 -15.070 -1.917 21 HG SER 5 HG SER 5 3.029 -13.594 -1.740 22 H SER 6 H SER 6 1.153 -14.093 2.148 23 HA SER 6 HA SER 6 -1.680 -14.139 1.715 24 1HB SER 6 1HB SER 6 -1.097 -16.361 2.804 25 2HB SER 6 2HB SER 6 -0.504 -15.472 4.192 26 HG SER 6 HG SER 6 -3.088 -14.725 3.364 27 H GLY 7 H GLY 7 -1.849 -11.900 1.900 28 1HA GLY 7 1HA GLY 7 -2.054 -9.938 2.998 29 2HA GLY 7 2HA GLY 7 -1.633 -10.744 4.496 30 H GLN 8 H GLN 8 0.197 -10.377 1.378 31 HA GLN 8 HA GLN 8 2.631 -10.093 2.556 32 1HB GLN 8 1HB GLN 8 1.447 -9.558 -0.100 33 2HB GLN 8 2HB GLN 8 2.846 -8.560 0.240 34 1HG GLN 8 1HG GLN 8 2.714 -11.607 0.353 35 2HG GLN 8 2HG GLN 8 3.586 -10.642 -0.821 36 1HE2 GLN 8 1HE2 GLN 8 4.918 -12.539 0.513 37 2HE2 GLN 8 2HE2 GLN 8 6.020 -11.873 1.672 38 H LYS 9 H LYS 9 4.067 -7.972 2.282 39 HA LYS 9 HA LYS 9 2.484 -5.740 3.353 40 1HB LYS 9 1HB LYS 9 5.281 -6.623 4.123 41 2HB LYS 9 2HB LYS 9 4.507 -5.152 4.676 42 1HG LYS 9 1HG LYS 9 2.565 -7.086 5.214 43 2HG LYS 9 2HG LYS 9 4.055 -7.952 5.532 44 1HD LYS 9 1HD LYS 9 4.377 -5.348 6.681 45 2HD LYS 9 2HD LYS 9 2.773 -5.891 7.132 46 1HE LYS 9 1HE LYS 9 4.853 -7.999 7.377 47 2HE LYS 9 2HE LYS 9 5.130 -6.617 8.418 48 1HZ LYS 9 1HZ LYS 9 2.440 -7.682 8.308 49 2HZ LYS 9 2HZ LYS 9 3.560 -8.557 9.111 50 3HZ LYS 9 3HZ LYS 9 3.245 -7.020 9.565 51 H VAL 10 H VAL 10 2.972 -3.645 2.599 52 HA VAL 10 HA VAL 10 4.928 -3.561 0.414 53 HB VAL 10 HB VAL 10 3.314 -2.006 -0.732 54 1HG1 VAL 10 1HG1 VAL 10 1.729 -4.056 -1.337 55 2HG1 VAL 10 2HG1 VAL 10 3.437 -4.014 -1.834 56 3HG1 VAL 10 3HG1 VAL 10 2.949 -4.958 -0.406 57 1HG2 VAL 10 1HG2 VAL 10 1.160 -3.283 0.952 58 2HG2 VAL 10 2HG2 VAL 10 1.924 -1.751 1.440 59 3HG2 VAL 10 3HG2 VAL 10 1.062 -1.861 -0.114 60 H LYS 11 H LYS 11 5.841 -1.402 0.036 61 HA LYS 11 HA LYS 11 5.541 0.319 2.399 62 1HB LYS 11 1HB LYS 11 7.640 -0.614 2.739 63 2HB LYS 11 2HB LYS 11 8.009 -0.702 1.029 64 1HG LYS 11 1HG LYS 11 8.260 1.740 0.896 65 2HG LYS 11 2HG LYS 11 7.706 1.930 2.547 66 1HD LYS 11 1HD LYS 11 10.008 0.064 2.229 67 2HD LYS 11 2HD LYS 11 10.358 1.725 1.793 68 1HE LYS 11 1HE LYS 11 10.163 2.484 3.961 69 2HE LYS 11 2HE LYS 11 8.814 1.426 4.324 70 1HZ LYS 11 1HZ LYS 11 11.659 0.733 4.293 71 2HZ LYS 11 2HZ LYS 11 10.614 0.641 5.545 72 3HZ LYS 11 3HZ LYS 11 10.492 -0.410 4.300 73 H THR 12 H THR 12 5.273 2.507 2.027 74 HA THR 12 HA THR 12 4.623 3.216 -0.694 75 HB THR 12 HB THR 12 3.739 5.240 0.389 76 HG1 THR 12 1HG THR 12 4.309 5.468 2.713 77 1HG2 THR 12 1HG2 THR 12 2.233 3.395 0.849 78 2HG2 THR 12 2HG2 THR 12 3.351 2.702 2.048 79 3HG2 THR 12 3HG2 THR 12 2.488 4.216 2.407 80 H ILE 13 H ILE 13 5.788 4.382 -2.121 81 HA ILE 13 HA ILE 13 8.442 5.195 -1.190 82 HB ILE 13 HB ILE 13 9.002 5.180 -3.610 83 1HG1 ILE 13 1HG1 ILE 13 6.265 3.913 -3.935 84 2HG1 ILE 13 2HG1 ILE 13 6.707 5.522 -4.472 85 1HG2 ILE 13 1HG2 ILE 13 8.166 2.752 -2.076 86 2HG2 ILE 13 2HG2 ILE 13 8.690 2.567 -3.767 87 3HG2 ILE 13 3HG2 ILE 13 9.787 3.296 -2.570 88 1HD1 ILE 13 1HD1 ILE 13 7.726 2.853 -5.495 89 2HD1 ILE 13 2HD1 ILE 13 6.984 4.186 -6.411 90 3HD1 ILE 13 3HD1 ILE 13 8.640 4.353 -5.782 91 H PHE 14 H PHE 14 5.341 6.413 -1.752 92 HA PHE 14 HA PHE 14 6.432 9.094 -1.888 93 1HB PHE 14 1HB PHE 14 4.303 7.927 -3.780 94 2HB PHE 14 2HB PHE 14 4.783 9.612 -3.753 95 HD1 PHE 14 1HD PHE 14 5.011 6.983 -5.759 96 HD2 PHE 14 2HD PHE 14 7.660 9.564 -3.680 97 HE1 PHE 14 1HE PHE 14 6.806 6.499 -7.446 98 HE2 PHE 14 2HE PHE 14 9.456 9.080 -5.366 99 HZ PHE 14 HZ PHE 14 9.007 7.553 -7.228 100 HA PRO 15 HA PRO 15 3.099 9.752 0.803 101 1HB PRO 15 1HB PRO 15 2.935 12.480 0.763 102 2HB PRO 15 2HB PRO 15 4.114 11.604 1.720 103 1HG PRO 15 1HG PRO 15 4.514 13.101 -0.797 104 2HG PRO 15 2HG PRO 15 5.709 12.592 0.379 105 1HD PRO 15 1HD PRO 15 5.183 11.381 -2.167 106 2HD PRO 15 2HD PRO 15 6.296 10.804 -0.942 107 H HIS 16 H HIS 16 0.863 10.176 1.037 108 HA HIS 16 HA HIS 16 -0.404 11.276 -1.299 109 1HB HIS 16 1HB HIS 16 -0.035 8.872 -1.860 110 2HB HIS 16 2HB HIS 16 -0.994 8.423 -0.464 111 HD1 HIS 16 1HD HIS 16 -3.409 8.015 -0.945 112 HD2 HIS 16 2HD HIS 16 -1.670 10.631 -3.726 113 HE1 HIS 16 1HE HIS 16 -5.215 8.524 -2.674 114 H THR 17 H THR 17 -2.291 12.331 -0.745 115 HA THR 17 HA THR 17 -3.298 11.811 1.975 116 HB THR 17 HB THR 17 -3.049 14.502 0.532 117 HG1 THR 17 1HG THR 17 -1.570 13.037 2.595 118 1HG2 THR 17 1HG2 THR 17 -4.822 14.489 2.280 119 2HG2 THR 17 2HG2 THR 17 -3.691 13.735 3.429 120 3HG2 THR 17 3HG2 THR 17 -3.402 15.394 2.854 121 H ALA 18 H ALA 18 -5.510 11.771 2.286 122 HA ALA 18 HA ALA 18 -7.012 11.184 -0.068 123 1HB ALA 18 1HB ALA 18 -7.122 10.603 2.692 124 2HB ALA 18 2HB ALA 18 -8.587 11.553 2.348 125 3HB ALA 18 3HB ALA 18 -8.257 10.063 1.432 126 H GLY 19 H GLY 19 -7.395 13.656 2.578 127 1HA GLY 19 1HA GLY 19 -8.057 15.811 2.469 128 2HA GLY 19 2HA GLY 19 -7.866 15.768 0.727 129 H ASN 20 H ASN 20 -9.679 15.732 -0.566 130 HA ASN 20 HA ASN 20 -12.160 16.041 0.683 131 1HB ASN 20 1HB ASN 20 -11.042 16.419 -1.918 132 2HB ASN 20 2HB ASN 20 -12.360 15.287 -2.147 133 1HD2 ASN 20 1HD2 ASN 20 -14.447 15.900 -1.859 134 2HD2 ASN 20 2HD2 ASN 20 -14.964 17.531 -1.586 135 H ASN 21 H ASN 21 -10.643 13.445 -1.368 136 HA ASN 21 HA ASN 21 -12.638 11.727 -1.654 137 1HB ASN 21 1HB ASN 21 -9.726 11.563 -1.510 138 2HB ASN 21 2HB ASN 21 -10.416 10.118 -0.797 139 1HD2 ASN 21 1HD2 ASN 21 -10.616 12.252 -3.620 140 2HD2 ASN 21 2HD2 ASN 21 -11.019 11.043 -4.793 141 H LYS 22 H LYS 22 -13.177 9.638 -0.404 142 HA LYS 22 HA LYS 22 -12.723 9.939 2.474 143 1HB LYS 22 1HB LYS 22 -15.284 10.078 1.027 144 2HB LYS 22 2HB LYS 22 -15.277 8.921 2.343 145 1HG LYS 22 1HG LYS 22 -14.071 11.642 2.845 146 2HG LYS 22 2HG LYS 22 -15.817 11.522 2.757 147 1HD LYS 22 1HD LYS 22 -15.946 10.541 4.806 148 2HD LYS 22 2HD LYS 22 -14.723 9.356 4.397 149 1HE LYS 22 1HE LYS 22 -13.834 12.192 4.943 150 2HE LYS 22 2HE LYS 22 -14.297 11.192 6.306 151 1HZ LYS 22 1HZ LYS 22 -12.587 9.867 4.448 152 2HZ LYS 22 2HZ LYS 22 -11.895 11.173 5.141 153 3HZ LYS 22 3HZ LYS 22 -12.479 9.967 6.075 154 H THR 23 H THR 23 -11.036 8.371 1.136 155 HA THR 23 HA THR 23 -11.589 5.803 2.159 156 HB THR 23 HB THR 23 -13.039 5.329 0.350 157 HG1 THR 23 1HG THR 23 -11.069 3.942 0.412 158 1HG2 THR 23 1HG2 THR 23 -12.782 6.135 -1.908 159 2HG2 THR 23 2HG2 THR 23 -12.461 7.550 -0.877 160 3HG2 THR 23 3HG2 THR 23 -11.106 6.655 -1.606 161 H LEU 24 H LEU 24 -9.778 7.702 -0.322 162 HA LEU 24 HA LEU 24 -7.541 6.205 -0.525 163 1HB LEU 24 1HB LEU 24 -7.671 9.215 -0.295 164 2HB LEU 24 2HB LEU 24 -6.353 8.291 -0.990 165 HG LEU 24 HG LEU 24 -9.185 8.330 -2.070 166 1HD1 LEU 24 1HD1 LEU 24 -8.567 9.914 -3.652 167 2HD1 LEU 24 2HD1 LEU 24 -7.786 10.505 -2.166 168 3HD1 LEU 24 3HD1 LEU 24 -6.827 9.646 -3.394 169 1HD2 LEU 24 1HD2 LEU 24 -8.516 6.437 -3.060 170 2HD2 LEU 24 2HD2 LEU 24 -7.555 7.507 -4.108 171 3HD2 LEU 24 3HD2 LEU 24 -6.799 6.732 -2.695 172 H LEU 25 H LEU 25 -6.325 5.211 0.985 173 HA LEU 25 HA LEU 25 -6.389 5.918 3.683 174 1HB LEU 25 1HB LEU 25 -5.771 3.711 2.487 175 2HB LEU 25 2HB LEU 25 -4.156 4.383 2.385 176 HG LEU 25 HG LEU 25 -4.173 4.647 4.885 177 1HD1 LEU 25 1HD1 LEU 25 -6.250 2.672 5.359 178 2HD1 LEU 25 2HD1 LEU 25 -5.965 4.247 6.138 179 3HD1 LEU 25 3HD1 LEU 25 -6.902 4.157 4.627 180 1HD2 LEU 25 1HD2 LEU 25 -4.628 1.750 4.399 181 2HD2 LEU 25 2HD2 LEU 25 -3.406 2.561 3.391 182 3HD2 LEU 25 3HD2 LEU 25 -3.259 2.592 5.164 183 H SER 26 H SER 26 -5.425 7.527 4.798 184 HA SER 26 HA SER 26 -3.494 9.107 3.361 185 1HB SER 26 1HB SER 26 -4.098 10.857 4.747 186 2HB SER 26 2HB SER 26 -5.565 9.903 4.847 187 HG SER 26 HG SER 26 -4.722 10.606 6.951 188 H PHE 27 H PHE 27 -1.301 8.997 3.739 189 HA PHE 27 HA PHE 27 -0.319 8.273 6.325 190 1HB PHE 27 1HB PHE 27 0.977 6.296 5.299 191 2HB PHE 27 2HB PHE 27 -0.749 6.026 5.427 192 HD1 PHE 27 1HD PHE 27 1.855 7.162 3.024 193 HD2 PHE 27 2HD PHE 27 -1.973 5.405 3.544 194 HE1 PHE 27 1HE PHE 27 1.751 6.660 0.566 195 HE2 PHE 27 2HE PHE 27 -2.077 4.904 1.087 196 HZ PHE 27 HZ PHE 27 -0.214 5.537 -0.373 197 H ALA 28 H ALA 28 2.300 7.769 5.869 198 HA ALA 28 HA ALA 28 3.141 9.910 4.039 199 1HB ALA 28 1HB ALA 28 4.585 10.782 5.654 200 2HB ALA 28 2HB ALA 28 3.173 10.322 6.636 201 3HB ALA 28 3HB ALA 28 4.610 9.272 6.596 202 H GLN 29 H GLN 29 5.064 9.525 2.859 203 HA GLN 29 HA GLN 29 5.503 7.036 1.990 204 1HB GLN 29 1HB GLN 29 6.423 9.041 0.908 205 2HB GLN 29 2HB GLN 29 7.526 9.303 2.244 206 1HG GLN 29 1HG GLN 29 8.442 6.917 1.730 207 2HG GLN 29 2HG GLN 29 7.558 7.029 0.221 208 1HE2 GLN 29 1HE2 GLN 29 10.360 6.791 0.509 209 2HE2 GLN 29 2HE2 GLN 29 11.120 8.199 -0.155 210 H GLY 30 H GLY 30 6.734 5.222 2.554 211 1HA GLY 30 1HA GLY 30 8.539 4.223 3.720 212 2HA GLY 30 2HA GLY 30 8.404 5.441 4.972 213 H ASP 31 H ASP 31 5.479 5.407 5.214 214 HA ASP 31 HA ASP 31 5.155 3.636 7.191 215 1HB ASP 31 1HB ASP 31 3.095 4.627 5.169 216 2HB ASP 31 2HB ASP 31 2.653 3.776 6.635 217 H VAL 32 H VAL 32 4.118 1.486 7.348 218 HA VAL 32 HA VAL 32 4.244 0.003 4.814 219 HB VAL 32 HB VAL 32 4.778 -0.851 7.664 220 1HG1 VAL 32 1HG1 VAL 32 3.939 -2.415 5.357 221 2HG1 VAL 32 2HG1 VAL 32 5.540 -2.923 5.946 222 3HG1 VAL 32 3HG1 VAL 32 4.148 -2.908 7.055 223 1HG2 VAL 32 1HG2 VAL 32 7.047 -1.336 6.813 224 2HG2 VAL 32 2HG2 VAL 32 6.580 -0.683 5.224 225 3HG2 VAL 32 3HG2 VAL 32 6.621 0.384 6.648 226 H LEU 33 H LEU 33 2.443 -1.111 4.138 227 HA LEU 33 HA LEU 33 0.183 -1.121 6.015 228 1HB LEU 33 1HB LEU 33 -0.273 -0.939 3.076 229 2HB LEU 33 2HB LEU 33 -1.281 -0.407 4.407 230 HG LEU 33 HG LEU 33 1.122 1.135 4.480 231 1HD1 LEU 33 1HD1 LEU 33 -0.086 1.799 1.883 232 2HD1 LEU 33 2HD1 LEU 33 1.620 1.776 2.393 233 3HD1 LEU 33 3HD1 LEU 33 0.816 0.264 1.905 234 1HD2 LEU 33 1HD2 LEU 33 -0.645 2.253 5.351 235 2HD2 LEU 33 2HD2 LEU 33 -0.734 2.901 3.696 236 3HD2 LEU 33 3HD2 LEU 33 -1.804 1.566 4.188 237 H THR 34 H THR 34 -0.985 -3.029 6.182 238 HA THR 34 HA THR 34 0.290 -5.329 4.925 239 HB THR 34 HB THR 34 -1.801 -5.016 7.144 240 HG1 THR 34 1HG THR 34 0.065 -4.970 8.365 241 1HG2 THR 34 1HG2 THR 34 -1.979 -7.294 7.190 242 2HG2 THR 34 2HG2 THR 34 -1.122 -7.342 5.631 243 3HG2 THR 34 3HG2 THR 34 -0.208 -7.464 7.154 244 H LEU 35 H LEU 35 -0.459 -6.315 3.162 245 HA LEU 35 HA LEU 35 -2.817 -5.346 1.925 246 1HB LEU 35 1HB LEU 35 -0.886 -7.577 1.329 247 2HB LEU 35 2HB LEU 35 -2.315 -7.300 0.353 248 HG LEU 35 HG LEU 35 -0.966 -4.799 0.618 249 1HD1 LEU 35 1HD1 LEU 35 1.104 -5.879 -0.797 250 2HD1 LEU 35 2HD1 LEU 35 1.166 -5.421 0.921 251 3HD1 LEU 35 3HD1 LEU 35 0.850 -7.111 0.462 252 1HD2 LEU 35 1HD2 LEU 35 -2.259 -5.082 -1.274 253 2HD2 LEU 35 2HD2 LEU 35 -0.612 -5.283 -1.918 254 3HD2 LEU 35 3HD2 LEU 35 -1.623 -6.713 -1.600 255 H LEU 36 H LEU 36 -4.832 -6.387 1.600 256 HA LEU 36 HA LEU 36 -5.306 -8.580 3.499 257 1HB LEU 36 1HB LEU 36 -7.242 -6.440 2.607 258 2HB LEU 36 2HB LEU 36 -7.567 -7.731 3.746 259 HG LEU 36 HG LEU 36 -5.568 -5.490 4.158 260 1HD1 LEU 36 1HD1 LEU 36 -7.156 -4.646 5.831 261 2HD1 LEU 36 2HD1 LEU 36 -7.854 -4.659 4.194 262 3HD1 LEU 36 3HD1 LEU 36 -8.314 -5.916 5.367 263 1HD2 LEU 36 1HD2 LEU 36 -4.716 -6.629 5.858 264 2HD2 LEU 36 2HD2 LEU 36 -6.333 -6.860 6.566 265 3HD2 LEU 36 3HD2 LEU 36 -5.705 -8.031 5.381 266 H ILE 37 H ILE 37 -6.154 -7.120 0.305 267 HA ILE 37 HA ILE 37 -7.203 -9.739 -0.482 268 HB ILE 37 HB ILE 37 -8.251 -8.524 -2.335 269 1HG1 ILE 37 1HG1 ILE 37 -7.656 -5.883 -1.077 270 2HG1 ILE 37 2HG1 ILE 37 -6.396 -6.615 -2.050 271 1HG2 ILE 37 1HG2 ILE 37 -9.385 -6.876 -0.292 272 2HG2 ILE 37 2HG2 ILE 37 -10.012 -8.385 -0.998 273 3HG2 ILE 37 3HG2 ILE 37 -8.936 -8.445 0.418 274 1HD1 ILE 37 1HD1 ILE 37 -7.467 -5.778 -3.867 275 2HD1 ILE 37 2HD1 ILE 37 -8.726 -7.003 -3.580 276 3HD1 ILE 37 3HD1 ILE 37 -8.906 -5.366 -2.904 277 HA PRO 38 HA PRO 38 -3.619 -10.293 -2.846 278 1HB PRO 38 1HB PRO 38 -4.382 -12.493 -4.278 279 2HB PRO 38 2HB PRO 38 -3.763 -12.582 -2.641 280 1HG PRO 38 1HG PRO 38 -6.548 -12.871 -3.587 281 2HG PRO 38 2HG PRO 38 -5.852 -13.368 -2.058 282 1HD PRO 38 1HD PRO 38 -7.505 -11.071 -2.525 283 2HD PRO 38 2HD PRO 38 -6.714 -11.504 -1.023 284 H GLU 39 H GLU 39 -6.638 -9.498 -4.124 285 HA GLU 39 HA GLU 39 -5.498 -9.204 -6.764 286 1HB GLU 39 1HB GLU 39 -8.025 -9.945 -5.880 287 2HB GLU 39 2HB GLU 39 -8.275 -8.267 -6.321 288 1HG GLU 39 1HG GLU 39 -8.683 -9.457 -8.339 289 2HG GLU 39 2HG GLU 39 -7.062 -8.823 -8.544 290 H GLU 40 H GLU 40 -6.352 -7.025 -7.921 291 HA GLU 40 HA GLU 40 -5.916 -4.859 -6.019 292 1HB GLU 40 1HB GLU 40 -4.594 -3.683 -7.801 293 2HB GLU 40 2HB GLU 40 -3.827 -5.149 -7.223 294 1HG GLU 40 1HG GLU 40 -4.919 -6.376 -9.198 295 2HG GLU 40 2HG GLU 40 -5.407 -4.808 -9.811 296 H LYS 41 H LYS 41 -7.124 -2.937 -6.394 297 HA LYS 41 HA LYS 41 -9.480 -3.356 -7.968 298 1HB LYS 41 1HB LYS 41 -9.200 -2.188 -5.648 299 2HB LYS 41 2HB LYS 41 -8.753 -0.780 -6.590 300 1HG LYS 41 1HG LYS 41 -11.057 -1.820 -7.884 301 2HG LYS 41 2HG LYS 41 -11.402 -1.956 -6.171 302 1HD LYS 41 1HD LYS 41 -10.759 0.464 -5.876 303 2HD LYS 41 2HD LYS 41 -10.494 0.586 -7.604 304 1HE LYS 41 1HE LYS 41 -13.003 -0.431 -7.674 305 2HE LYS 41 2HE LYS 41 -13.084 0.318 -6.093 306 1HZ LYS 41 1HZ LYS 41 -12.694 2.387 -6.993 307 2HZ LYS 41 2HZ LYS 41 -12.054 1.812 -8.381 308 3HZ LYS 41 3HZ LYS 41 -13.662 1.703 -8.116 309 H ASP 42 H ASP 42 -7.893 -3.658 -9.935 310 HA ASP 42 HA ASP 42 -7.257 -2.943 -11.880 311 1HB ASP 42 1HB ASP 42 -8.995 -0.570 -11.100 312 2HB ASP 42 2HB ASP 42 -8.162 -0.609 -12.642 313 H GLY 43 H GLY 43 -5.208 -2.753 -10.208 314 1HA GLY 43 1HA GLY 43 -3.144 -1.649 -10.476 315 2HA GLY 43 2HA GLY 43 -3.982 -0.139 -10.779 316 H TRP 44 H TRP 44 -5.866 -0.068 -8.668 317 HA TRP 44 HA TRP 44 -4.179 0.770 -6.545 318 1HB TRP 44 1HB TRP 44 -7.184 0.523 -6.766 319 2HB TRP 44 2HB TRP 44 -6.345 1.233 -5.401 320 HD1 TRP 44 HD TRP 44 -6.544 1.871 -9.258 321 HE1 TRP 44 1HE TRP 44 -6.381 4.454 -9.773 322 HE3 TRP 44 3HE TRP 44 -5.837 3.322 -4.437 323 HZ2 TRP 44 2HZ TRP 44 -5.984 6.763 -8.143 324 HZ3 TRP 44 3HZ TRP 44 -5.570 5.759 -3.985 325 HH2 TRP 44 HH TRP 44 -5.634 7.455 -5.744 326 H LEU 45 H LEU 45 -4.005 -0.166 -4.420 327 HA LEU 45 HA LEU 45 -4.999 -2.920 -4.243 328 1HB LEU 45 1HB LEU 45 -2.228 -1.900 -4.083 329 2HB LEU 45 2HB LEU 45 -2.689 -3.047 -2.841 330 HG LEU 45 HG LEU 45 -2.994 -3.561 -5.811 331 1HD1 LEU 45 1HD1 LEU 45 -0.958 -4.687 -5.854 332 2HD1 LEU 45 2HD1 LEU 45 -0.601 -3.227 -4.901 333 3HD1 LEU 45 3HD1 LEU 45 -0.856 -4.785 -4.080 334 1HD2 LEU 45 1HD2 LEU 45 -4.096 -5.405 -5.262 335 2HD2 LEU 45 2HD2 LEU 45 -2.782 -5.915 -4.175 336 3HD2 LEU 45 3HD2 LEU 45 -4.088 -4.872 -3.564 337 H TYR 46 H TYR 46 -5.484 -3.650 -2.082 338 HA TYR 46 HA TYR 46 -5.968 -1.384 -0.278 339 1HB TYR 46 1HB TYR 46 -7.727 -3.134 -1.357 340 2HB TYR 46 2HB TYR 46 -7.117 -4.214 -0.119 341 HD1 TYR 46 1HD TYR 46 -8.385 -4.346 1.811 342 HD2 TYR 46 2HD TYR 46 -8.288 -0.644 -0.331 343 HE1 TYR 46 1HE TYR 46 -10.001 -3.325 3.488 344 HE2 TYR 46 2HE TYR 46 -9.904 0.364 1.353 345 HH TYR 46 HH TYR 46 -11.000 -1.523 4.152 346 H GLY 47 H GLY 47 -5.793 -1.838 2.087 347 1HA GLY 47 1HA GLY 47 -4.470 -4.113 3.082 348 2HA GLY 47 2HA GLY 47 -3.279 -2.870 2.754 349 H GLU 48 H GLU 48 -3.196 -3.271 5.283 350 HA GLU 48 HA GLU 48 -5.114 -1.432 6.489 351 1HB GLU 48 1HB GLU 48 -5.288 -3.746 7.356 352 2HB GLU 48 2HB GLU 48 -3.585 -3.741 7.770 353 1HG GLU 48 1HG GLU 48 -4.022 -1.755 9.295 354 2HG GLU 48 2HG GLU 48 -5.733 -1.920 8.954 355 H HIS 49 H HIS 49 -4.331 0.279 7.781 356 HA HIS 49 HA HIS 49 -1.569 0.912 7.308 357 1HB HIS 49 1HB HIS 49 -3.554 2.513 7.136 358 2HB HIS 49 2HB HIS 49 -3.588 2.515 8.888 359 HD1 HIS 49 1HD HIS 49 -0.681 2.791 9.675 360 HD2 HIS 49 2HD HIS 49 -2.350 4.851 6.425 361 HE1 HIS 49 1HE HIS 49 0.817 4.817 9.267 362 H ASP 50 H ASP 50 0.096 0.915 8.808 363 HA ASP 50 HA ASP 50 -0.478 -0.548 11.201 364 1HB ASP 50 1HB ASP 50 1.616 -0.670 9.544 365 2HB ASP 50 2HB ASP 50 2.223 0.644 10.533 366 H THR 51 H THR 51 -1.779 1.929 11.299 367 HA THR 51 HA THR 51 -0.433 3.192 13.514 368 HB THR 51 HB THR 51 -0.994 4.688 10.898 369 HG1 THR 51 1HG THR 51 1.407 4.919 11.171 370 1HG2 THR 51 1HG2 THR 51 -1.397 6.176 12.841 371 2HG2 THR 51 2HG2 THR 51 0.115 5.621 13.599 372 3HG2 THR 51 3HG2 THR 51 0.170 6.578 12.100 373 H THR 52 H THR 52 -2.980 4.325 11.214 374 HA THR 52 HA THR 52 -4.727 4.912 13.374 375 HB THR 52 HB THR 52 -6.167 5.702 11.597 376 HG1 THR 52 1HG THR 52 -4.454 3.929 10.000 377 1HG2 THR 52 1HG2 THR 52 -3.568 5.852 10.073 378 2HG2 THR 52 2HG2 THR 52 -4.760 7.134 10.395 379 3HG2 THR 52 3HG2 THR 52 -3.626 6.632 11.672 380 H LYS 53 H LYS 53 -3.968 2.001 11.642 381 HA LYS 53 HA LYS 53 -4.706 -0.066 11.959 382 1HB LYS 53 1HB LYS 53 -6.751 0.991 13.927 383 2HB LYS 53 2HB LYS 53 -6.167 -0.654 13.776 384 1HG LYS 53 1HG LYS 53 -4.262 1.648 14.356 385 2HG LYS 53 2HG LYS 53 -5.134 0.844 15.646 386 1HD LYS 53 1HD LYS 53 -3.886 -1.096 13.819 387 2HD LYS 53 2HD LYS 53 -2.701 0.008 14.489 388 1HE LYS 53 1HE LYS 53 -3.335 -0.555 16.770 389 2HE LYS 53 2HE LYS 53 -4.753 -1.431 16.228 390 1HZ LYS 53 1HZ LYS 53 -3.376 -3.157 16.365 391 2HZ LYS 53 2HZ LYS 53 -2.828 -2.679 14.903 392 3HZ LYS 53 3HZ LYS 53 -2.013 -2.263 16.256 393 H ALA 54 H ALA 54 -6.196 2.442 10.482 394 HA ALA 54 HA ALA 54 -8.592 0.948 9.739 395 1HB ALA 54 1HB ALA 54 -8.694 3.374 10.435 396 2HB ALA 54 2HB ALA 54 -7.744 3.770 8.983 397 3HB ALA 54 3HB ALA 54 -9.361 3.045 8.818 398 H ARG 55 H ARG 55 -9.116 0.678 7.426 399 HA ARG 55 HA ARG 55 -6.655 0.462 5.885 400 1HB ARG 55 1HB ARG 55 -9.210 -1.215 5.692 401 2HB ARG 55 2HB ARG 55 -7.817 -1.405 4.646 402 1HG ARG 55 1HG ARG 55 -6.776 -2.704 6.184 403 2HG ARG 55 2HG ARG 55 -6.900 -1.440 7.392 404 1HD ARG 55 1HD ARG 55 -9.526 -2.598 7.058 405 2HD ARG 55 2HD ARG 55 -8.382 -3.913 7.239 406 HE ARG 55 HE ARG 55 -7.691 -2.014 9.209 407 1HH1 ARG 55 2HH2 ARG 55 -10.474 -4.018 8.418 408 2HH1 ARG 55 1HH2 ARG 55 -11.014 -4.140 10.059 409 1HH2 ARG 55 2HH1 ARG 55 -8.403 -2.175 11.374 410 2HH2 ARG 55 1HH1 ARG 55 -9.828 -3.084 11.752 411 H GLY 56 H GLY 56 -6.637 1.337 3.770 412 1HA GLY 56 1HA GLY 56 -9.175 2.504 2.809 413 2HA GLY 56 2HA GLY 56 -7.705 3.455 2.882 414 H TRP 57 H TRP 57 -8.225 3.632 0.464 415 HA TRP 57 HA TRP 57 -7.204 1.265 -0.949 416 1HB TRP 57 1HB TRP 57 -9.165 3.404 -1.745 417 2HB TRP 57 2HB TRP 57 -8.319 2.447 -2.945 418 HD1 TRP 57 HD TRP 57 -11.310 2.288 -0.678 419 HE1 TRP 57 1HE TRP 57 -12.555 -0.036 -0.796 420 HE3 TRP 57 3HE TRP 57 -7.644 -0.140 -3.232 421 HZ2 TRP 57 2HZ TRP 57 -11.882 -2.572 -1.919 422 HZ3 TRP 57 3HZ TRP 57 -8.017 -2.539 -3.800 423 HH2 TRP 57 HH TRP 57 -10.048 -3.752 -3.186 424 H PHE 58 H PHE 58 -5.332 1.509 -2.170 425 HA PHE 58 HA PHE 58 -4.371 4.220 -2.621 426 1HB PHE 58 1HB PHE 58 -2.117 3.448 -1.732 427 2HB PHE 58 2HB PHE 58 -3.349 3.453 -0.486 428 HD1 PHE 58 1HD PHE 58 -3.849 1.496 0.707 429 HD2 PHE 58 2HD PHE 58 -1.574 1.225 -2.865 430 HE1 PHE 58 1HE PHE 58 -3.360 -0.916 1.201 431 HE2 PHE 58 2HE PHE 58 -1.085 -1.186 -2.370 432 HZ PHE 58 HZ PHE 58 -1.983 -2.228 -0.343 433 HA PRO 59 HA PRO 59 -3.101 2.437 -6.359 434 1HB PRO 59 1HB PRO 59 -1.213 4.226 -7.199 435 2HB PRO 59 2HB PRO 59 -2.935 4.498 -7.373 436 1HG PRO 59 1HG PRO 59 -1.052 5.716 -5.448 437 2HG PRO 59 2HG PRO 59 -2.647 6.266 -5.921 438 1HD PRO 59 1HD PRO 59 -1.946 4.929 -3.482 439 2HD PRO 59 2HD PRO 59 -3.558 5.375 -4.007 440 H SER 60 H SER 60 -2.086 0.576 -6.711 441 HA SER 60 HA SER 60 -0.113 -0.295 -5.091 442 1HB SER 60 1HB SER 60 0.335 -2.010 -6.790 443 2HB SER 60 2HB SER 60 -1.388 -1.712 -6.681 444 HG SER 60 HG SER 60 0.407 -0.617 -8.677 445 H SER 61 H SER 61 0.075 2.039 -7.700 446 HA SER 61 HA SER 61 2.797 1.678 -8.282 447 1HB SER 61 1HB SER 61 2.496 3.394 -9.794 448 2HB SER 61 2HB SER 61 0.815 2.972 -9.539 449 HG SER 61 HG SER 61 2.084 5.332 -9.005 450 H TYR 62 H TYR 62 0.940 3.492 -5.848 451 HA TYR 62 HA TYR 62 3.225 5.063 -5.048 452 1HB TYR 62 1HB TYR 62 0.289 4.660 -4.408 453 2HB TYR 62 2HB TYR 62 1.267 5.311 -3.108 454 HD1 TYR 62 1HD TYR 62 1.155 7.610 -2.893 455 HD2 TYR 62 2HD TYR 62 0.953 5.904 -6.811 456 HE1 TYR 62 1HE TYR 62 0.938 9.933 -3.901 457 HE2 TYR 62 2HE TYR 62 0.738 8.233 -7.806 458 HH TYR 62 HH TYR 62 1.542 10.942 -6.240 459 H THR 63 H THR 63 2.731 1.867 -4.808 460 HA THR 63 HA THR 63 4.079 1.748 -2.222 461 HB THR 63 HB THR 63 2.502 -0.158 -1.586 462 HG1 THR 63 1HG THR 63 1.059 1.087 -3.821 463 1HG2 THR 63 1HG2 THR 63 0.537 1.267 -1.039 464 2HG2 THR 63 2HG2 THR 63 2.043 2.150 -0.696 465 3HG2 THR 63 3HG2 THR 63 1.116 2.513 -2.171 466 H LYS 64 H LYS 64 5.344 -0.172 -1.906 467 HA LYS 64 HA LYS 64 5.686 -1.746 -4.352 468 1HB LYS 64 1HB LYS 64 8.196 -1.632 -3.857 469 2HB LYS 64 2HB LYS 64 7.447 -0.233 -4.599 470 1HG LYS 64 1HG LYS 64 7.387 0.972 -2.499 471 2HG LYS 64 2HG LYS 64 7.774 -0.468 -1.579 472 1HD LYS 64 1HD LYS 64 9.669 0.695 -3.667 473 2HD LYS 64 2HD LYS 64 9.709 1.187 -1.986 474 1HE LYS 64 1HE LYS 64 9.889 -1.745 -2.797 475 2HE LYS 64 2HE LYS 64 11.312 -0.727 -2.705 476 1HZ LYS 64 1HZ LYS 64 10.244 -0.189 -0.384 477 2HZ LYS 64 2HZ LYS 64 9.623 -1.687 -0.573 478 3HZ LYS 64 3HZ LYS 64 11.241 -1.465 -0.601 479 H LEU 65 H LEU 65 6.659 -3.880 -3.964 480 HA LEU 65 HA LEU 65 5.639 -4.986 -1.542 481 1HB LEU 65 1HB LEU 65 6.975 -6.029 -4.008 482 2HB LEU 65 2HB LEU 65 6.864 -7.054 -2.592 483 HG LEU 65 HG LEU 65 4.338 -5.744 -3.443 484 1HD1 LEU 65 1HD1 LEU 65 5.415 -8.080 -5.034 485 2HD1 LEU 65 2HD1 LEU 65 3.908 -7.170 -5.296 486 3HD1 LEU 65 3HD1 LEU 65 5.481 -6.391 -5.592 487 1HD2 LEU 65 1HD2 LEU 65 5.231 -8.257 -2.129 488 2HD2 LEU 65 2HD2 LEU 65 3.876 -7.169 -1.742 489 3HD2 LEU 65 3HD2 LEU 65 3.732 -8.326 -3.086 490 H LEU 66 H LEU 66 6.701 -5.528 0.324 491 HA LEU 66 HA LEU 66 9.174 -4.324 0.832 492 1HB LEU 66 1HB LEU 66 7.657 -6.461 2.334 493 2HB LEU 66 2HB LEU 66 9.059 -5.611 2.953 494 HG LEU 66 HG LEU 66 6.251 -4.697 2.647 495 1HD1 LEU 66 1HD1 LEU 66 8.207 -4.987 4.713 496 2HD1 LEU 66 2HD1 LEU 66 7.702 -3.282 4.633 497 3HD1 LEU 66 3HD1 LEU 66 6.484 -4.562 4.846 498 1HD2 LEU 66 1HD2 LEU 66 8.516 -2.698 2.445 499 2HD2 LEU 66 2HD2 LEU 66 7.520 -3.232 1.069 500 3HD2 LEU 66 3HD2 LEU 66 6.766 -2.370 2.433 501 H SER 67 H SER 67 10.718 -6.221 2.209 502 HA SER 67 HA SER 67 12.383 -7.569 1.852 503 1HB SER 67 1HB SER 67 11.790 -9.667 0.354 504 2HB SER 67 2HB SER 67 11.020 -9.454 1.914 505 HG SER 67 HG SER 67 9.904 -9.413 -0.638 506 H GLY 68 H GLY 68 13.141 -5.520 0.547 507 1HA GLY 68 1HA GLY 68 13.279 -5.925 -2.329 508 2HA GLY 68 2HA GLY 68 13.853 -4.548 -1.410 509 HA PRO 69 HA PRO 69 17.625 -6.736 -2.375 510 1HB PRO 69 1HB PRO 69 19.186 -4.523 -2.737 511 2HB PRO 69 2HB PRO 69 18.305 -5.298 -4.039 512 1HG PRO 69 1HG PRO 69 17.689 -2.773 -2.629 513 2HG PRO 69 2HG PRO 69 17.092 -3.341 -4.176 514 1HD PRO 69 1HD PRO 69 15.673 -3.342 -1.683 515 2HD PRO 69 2HD PRO 69 15.120 -4.015 -3.203 516 H SER 70 H SER 70 19.741 -6.995 -1.348 517 HA SER 70 HA SER 70 21.024 -7.040 0.406 518 1HB SER 70 1HB SER 70 20.534 -4.438 0.316 519 2HB SER 70 2HB SER 70 19.586 -4.746 1.757 520 HG SER 70 HG SER 70 21.999 -4.174 1.955 521 H SER 71 H SER 71 20.872 -8.603 1.983 522 HA SER 71 HA SER 71 18.473 -8.574 3.617 523 1HB SER 71 1HB SER 71 18.062 -10.916 3.315 524 2HB SER 71 2HB SER 71 18.259 -10.247 1.707 525 HG SER 71 HG SER 71 20.692 -10.906 2.213 526 H GLY 72 H GLY 72 19.385 -8.094 5.602 527 1HA GLY 72 1HA GLY 72 21.948 -8.488 6.440 528 2HA GLY 72 2HA GLY 72 20.552 -8.444 7.498 Start of MODEL 3 1 1H GLY 1 H GLY 1 1.586 -13.381 14.599 2 1HA GLY 1 1HA GLY 1 0.569 -13.297 12.208 3 2HA GLY 1 2HA GLY 1 2.231 -12.964 11.765 4 H SER 2 H SER 2 0.033 -15.408 11.897 5 HA SER 2 HA SER 2 1.872 -17.381 12.929 6 1HB SER 2 1HB SER 2 -0.863 -17.146 13.118 7 2HB SER 2 2HB SER 2 -0.729 -18.253 11.766 8 HG SER 2 HG SER 2 -0.715 -19.039 14.187 9 H SER 3 H SER 3 2.642 -19.170 11.629 10 HA SER 3 HA SER 3 3.507 -18.559 9.165 11 1HB SER 3 1HB SER 3 3.310 -20.947 10.814 12 2HB SER 3 2HB SER 3 3.050 -21.376 9.135 13 HG SER 3 HG SER 3 5.333 -20.038 10.293 14 H GLY 4 H GLY 4 2.445 -18.087 7.279 15 1HA GLY 4 1HA GLY 4 1.105 -18.970 5.492 16 2HA GLY 4 2HA GLY 4 -0.015 -19.611 6.679 17 H SER 5 H SER 5 -1.818 -18.470 5.760 18 HA SER 5 HA SER 5 -3.256 -16.846 5.674 19 1HB SER 5 1HB SER 5 -1.597 -16.099 7.939 20 2HB SER 5 2HB SER 5 -2.119 -14.649 7.104 21 HG SER 5 HG SER 5 -3.546 -16.107 8.814 22 H SER 6 H SER 6 -3.714 -14.971 4.352 23 HA SER 6 HA SER 6 -1.374 -14.134 2.843 24 1HB SER 6 1HB SER 6 -4.318 -14.378 2.178 25 2HB SER 6 2HB SER 6 -3.304 -13.306 1.233 26 HG SER 6 HG SER 6 -3.548 -15.994 1.021 27 H GLY 7 H GLY 7 -0.741 -11.978 2.841 28 1HA GLY 7 1HA GLY 7 -2.292 -9.744 3.076 29 2HA GLY 7 2HA GLY 7 -1.978 -10.214 4.735 30 H GLN 8 H GLN 8 0.020 -10.340 1.695 31 HA GLN 8 HA GLN 8 2.414 -9.945 2.817 32 1HB GLN 8 1HB GLN 8 1.226 -9.544 0.165 33 2HB GLN 8 2HB GLN 8 2.544 -8.425 0.447 34 1HG GLN 8 1HG GLN 8 3.347 -10.563 -0.555 35 2HG GLN 8 2HG GLN 8 4.066 -10.274 1.017 36 1HE2 GLN 8 1HE2 GLN 8 4.204 -11.998 2.212 37 2HE2 GLN 8 2HE2 GLN 8 3.088 -13.320 2.296 38 H LYS 9 H LYS 9 3.873 -7.858 2.533 39 HA LYS 9 HA LYS 9 2.312 -5.578 3.533 40 1HB LYS 9 1HB LYS 9 5.038 -6.578 4.395 41 2HB LYS 9 2HB LYS 9 4.407 -5.001 4.823 42 1HG LYS 9 1HG LYS 9 2.278 -6.690 5.466 43 2HG LYS 9 2HG LYS 9 3.671 -7.672 5.874 44 1HD LYS 9 1HD LYS 9 4.259 -5.052 6.843 45 2HD LYS 9 2HD LYS 9 2.589 -5.356 7.278 46 1HE LYS 9 1HE LYS 9 4.469 -7.636 7.750 47 2HE LYS 9 2HE LYS 9 4.737 -6.224 8.753 48 1HZ LYS 9 1HZ LYS 9 3.004 -8.040 9.388 49 2HZ LYS 9 2HZ LYS 9 2.742 -6.469 9.748 50 3HZ LYS 9 3HZ LYS 9 2.009 -7.143 8.454 51 H VAL 10 H VAL 10 2.845 -3.509 2.741 52 HA VAL 10 HA VAL 10 4.842 -3.503 0.591 53 HB VAL 10 HB VAL 10 3.242 -1.908 -0.579 54 1HG1 VAL 10 1HG1 VAL 10 3.553 -3.965 -1.634 55 2HG1 VAL 10 2HG1 VAL 10 2.804 -4.877 -0.303 56 3HG1 VAL 10 3HG1 VAL 10 1.790 -3.904 -1.395 57 1HG2 VAL 10 1HG2 VAL 10 1.773 -2.073 1.722 58 2HG2 VAL 10 2HG2 VAL 10 1.134 -1.557 0.143 59 3HG2 VAL 10 3HG2 VAL 10 0.926 -3.241 0.679 60 H LYS 11 H LYS 11 5.788 -1.364 0.179 61 HA LYS 11 HA LYS 11 5.470 0.415 2.495 62 1HB LYS 11 1HB LYS 11 7.546 -0.581 2.882 63 2HB LYS 11 2HB LYS 11 7.961 -0.641 1.181 64 1HG LYS 11 1HG LYS 11 8.212 1.811 1.104 65 2HG LYS 11 2HG LYS 11 7.643 1.958 2.755 66 1HD LYS 11 1HD LYS 11 9.920 0.077 2.459 67 2HD LYS 11 2HD LYS 11 10.309 1.718 1.984 68 1HE LYS 11 1HE LYS 11 10.111 2.539 4.132 69 2HE LYS 11 2HE LYS 11 8.752 1.501 4.519 70 1HZ LYS 11 1HZ LYS 11 11.550 0.618 4.343 71 2HZ LYS 11 2HZ LYS 11 10.723 0.879 5.727 72 3HZ LYS 11 3HZ LYS 11 10.281 -0.334 4.728 73 H THR 12 H THR 12 5.069 2.540 2.041 74 HA THR 12 HA THR 12 4.599 3.203 -0.719 75 HB THR 12 HB THR 12 3.628 5.239 0.283 76 HG1 THR 12 1HG THR 12 4.163 5.679 2.486 77 1HG2 THR 12 1HG2 THR 12 2.590 3.883 2.498 78 2HG2 THR 12 2HG2 THR 12 1.896 3.840 0.859 79 3HG2 THR 12 3HG2 THR 12 3.009 2.556 1.388 80 H ILE 13 H ILE 13 5.880 4.263 -2.110 81 HA ILE 13 HA ILE 13 8.429 5.197 -1.027 82 HB ILE 13 HB ILE 13 9.184 5.091 -3.370 83 1HG1 ILE 13 1HG1 ILE 13 6.452 3.894 -3.921 84 2HG1 ILE 13 2HG1 ILE 13 6.999 5.471 -4.453 85 1HG2 ILE 13 1HG2 ILE 13 9.869 3.189 -2.354 86 2HG2 ILE 13 2HG2 ILE 13 8.232 2.751 -1.808 87 3HG2 ILE 13 3HG2 ILE 13 8.718 2.451 -3.494 88 1HD1 ILE 13 1HD1 ILE 13 7.437 4.122 -6.333 89 2HD1 ILE 13 2HD1 ILE 13 9.019 4.154 -5.517 90 3HD1 ILE 13 3HD1 ILE 13 7.954 2.738 -5.340 91 H PHE 14 H PHE 14 5.352 6.333 -1.815 92 HA PHE 14 HA PHE 14 6.417 9.027 -2.028 93 1HB PHE 14 1HB PHE 14 4.289 7.782 -3.871 94 2HB PHE 14 2HB PHE 14 4.835 9.445 -3.950 95 HD1 PHE 14 1HD PHE 14 4.950 6.742 -5.825 96 HD2 PHE 14 2HD PHE 14 7.729 9.230 -3.802 97 HE1 PHE 14 1HE PHE 14 6.735 6.078 -7.460 98 HE2 PHE 14 2HE PHE 14 9.514 8.565 -5.437 99 HZ PHE 14 HZ PHE 14 8.996 6.997 -7.246 100 HA PRO 15 HA PRO 15 3.049 9.755 0.603 101 1HB PRO 15 1HB PRO 15 2.894 12.481 0.480 102 2HB PRO 15 2HB PRO 15 4.054 11.631 1.482 103 1HG PRO 15 1HG PRO 15 4.501 13.052 -1.071 104 2HG PRO 15 2HG PRO 15 5.674 12.575 0.140 105 1HD PRO 15 1HD PRO 15 5.188 11.290 -2.378 106 2HD PRO 15 2HD PRO 15 6.278 10.747 -1.117 107 H HIS 16 H HIS 16 0.815 10.078 0.762 108 HA HIS 16 HA HIS 16 -0.508 11.332 -1.396 109 1HB HIS 16 1HB HIS 16 0.088 9.293 -2.577 110 2HB HIS 16 2HB HIS 16 -0.574 8.305 -1.290 111 HD1 HIS 16 1HD HIS 16 -3.198 8.168 -1.089 112 HD2 HIS 16 2HD HIS 16 -1.795 10.364 -4.376 113 HE1 HIS 16 1HE HIS 16 -5.197 8.483 -2.644 114 H THR 17 H THR 17 -1.642 12.506 0.145 115 HA THR 17 HA THR 17 -2.920 11.074 2.321 116 HB THR 17 HB THR 17 -1.782 13.238 2.735 117 HG1 THR 17 1HG THR 17 -3.902 12.599 3.766 118 1HG2 THR 17 1HG2 THR 17 -1.950 14.559 0.764 119 2HG2 THR 17 2HG2 THR 17 -3.670 14.159 0.537 120 3HG2 THR 17 3HG2 THR 17 -3.181 15.290 1.822 121 H ALA 18 H ALA 18 -5.073 10.651 2.569 122 HA ALA 18 HA ALA 18 -6.610 10.193 0.366 123 1HB ALA 18 1HB ALA 18 -7.545 9.154 2.155 124 2HB ALA 18 2HB ALA 18 -6.997 10.409 3.292 125 3HB ALA 18 3HB ALA 18 -8.475 10.661 2.333 126 H GLY 19 H GLY 19 -6.587 13.124 2.499 127 1HA GLY 19 1HA GLY 19 -7.225 15.241 2.093 128 2HA GLY 19 2HA GLY 19 -7.115 14.895 0.379 129 H ASN 20 H ASN 20 -9.251 14.670 3.265 130 HA ASN 20 HA ASN 20 -11.404 14.953 3.451 131 1HB ASN 20 1HB ASN 20 -10.934 16.166 0.928 132 2HB ASN 20 2HB ASN 20 -12.267 15.067 0.633 133 1HD2 ASN 20 1HD2 ASN 20 -11.803 18.102 1.059 134 2HD2 ASN 20 2HD2 ASN 20 -13.099 18.590 2.100 135 H ASN 21 H ASN 21 -10.826 13.297 0.245 136 HA ASN 21 HA ASN 21 -12.846 11.613 0.142 137 1HB ASN 21 1HB ASN 21 -9.897 11.136 -0.466 138 2HB ASN 21 2HB ASN 21 -11.084 9.893 -0.807 139 1HD2 ASN 21 1HD2 ASN 21 -12.482 10.090 -2.476 140 2HD2 ASN 21 2HD2 ASN 21 -12.449 11.364 -3.649 141 H LYS 22 H LYS 22 -13.477 9.598 1.114 142 HA LYS 22 HA LYS 22 -11.972 8.922 3.531 143 1HB LYS 22 1HB LYS 22 -14.806 9.081 2.842 144 2HB LYS 22 2HB LYS 22 -14.394 7.544 3.576 145 1HG LYS 22 1HG LYS 22 -12.992 9.209 5.226 146 2HG LYS 22 2HG LYS 22 -14.275 10.303 4.745 147 1HD LYS 22 1HD LYS 22 -15.174 7.552 5.486 148 2HD LYS 22 2HD LYS 22 -14.485 8.484 6.800 149 1HE LYS 22 1HE LYS 22 -16.219 10.014 6.815 150 2HE LYS 22 2HE LYS 22 -16.415 9.976 5.074 151 1HZ LYS 22 1HZ LYS 22 -17.078 7.506 6.314 152 2HZ LYS 22 2HZ LYS 22 -18.007 8.740 6.845 153 3HZ LYS 22 3HZ LYS 22 -17.938 8.398 5.250 154 H THR 23 H THR 23 -12.861 7.838 0.314 155 HA THR 23 HA THR 23 -12.476 5.061 0.789 156 HB THR 23 HB THR 23 -12.660 4.946 -1.654 157 HG1 THR 23 1HG THR 23 -11.799 6.663 -2.763 158 1HG2 THR 23 1HG2 THR 23 -14.313 7.339 -1.599 159 2HG2 THR 23 2HG2 THR 23 -14.837 5.638 -1.635 160 3HG2 THR 23 3HG2 THR 23 -14.533 6.443 -0.077 161 H LEU 24 H LEU 24 -10.343 7.779 -0.152 162 HA LEU 24 HA LEU 24 -8.150 6.002 -0.656 163 1HB LEU 24 1HB LEU 24 -8.115 9.000 -0.322 164 2HB LEU 24 2HB LEU 24 -6.897 7.996 -1.086 165 HG LEU 24 HG LEU 24 -9.711 8.118 -2.166 166 1HD1 LEU 24 1HD1 LEU 24 -9.473 10.147 -3.057 167 2HD1 LEU 24 2HD1 LEU 24 -8.125 10.375 -1.916 168 3HD1 LEU 24 3HD1 LEU 24 -7.802 9.817 -3.575 169 1HD2 LEU 24 1HD2 LEU 24 -8.450 7.627 -4.311 170 2HD2 LEU 24 2HD2 LEU 24 -7.020 7.329 -3.294 171 3HD2 LEU 24 3HD2 LEU 24 -8.479 6.329 -3.094 172 H LEU 25 H LEU 25 -6.048 6.231 0.572 173 HA LEU 25 HA LEU 25 -6.685 6.431 3.428 174 1HB LEU 25 1HB LEU 25 -5.870 4.251 2.245 175 2HB LEU 25 2HB LEU 25 -4.293 5.013 2.312 176 HG LEU 25 HG LEU 25 -4.519 5.217 4.781 177 1HD1 LEU 25 1HD1 LEU 25 -6.604 3.257 5.152 178 2HD1 LEU 25 2HD1 LEU 25 -6.432 4.883 5.854 179 3HD1 LEU 25 3HD1 LEU 25 -7.229 4.674 4.276 180 1HD2 LEU 25 1HD2 LEU 25 -3.229 3.406 4.476 181 2HD2 LEU 25 2HD2 LEU 25 -4.670 2.507 5.008 182 3HD2 LEU 25 3HD2 LEU 25 -4.329 2.693 3.271 183 H SER 26 H SER 26 -4.893 7.264 4.842 184 HA SER 26 HA SER 26 -3.373 9.273 3.369 185 1HB SER 26 1HB SER 26 -3.677 10.822 5.226 186 2HB SER 26 2HB SER 26 -5.250 10.259 4.696 187 HG SER 26 HG SER 26 -5.407 8.894 6.494 188 H PHE 27 H PHE 27 -1.184 8.978 3.558 189 HA PHE 27 HA PHE 27 -0.088 8.172 6.090 190 1HB PHE 27 1HB PHE 27 1.164 6.261 4.830 191 2HB PHE 27 2HB PHE 27 -0.531 5.966 5.167 192 HD1 PHE 27 1HD PHE 27 -2.124 5.759 3.397 193 HD2 PHE 27 2HD PHE 27 1.879 6.870 2.533 194 HE1 PHE 27 1HE PHE 27 -2.538 5.351 0.955 195 HE2 PHE 27 2HE PHE 27 1.465 6.462 0.091 196 HZ PHE 27 HZ PHE 27 -0.738 5.708 -0.669 197 H ALA 28 H ALA 28 2.461 7.892 5.753 198 HA ALA 28 HA ALA 28 3.264 10.012 3.879 199 1HB ALA 28 1HB ALA 28 4.767 9.311 6.403 200 2HB ALA 28 2HB ALA 28 4.748 10.839 5.491 201 3HB ALA 28 3HB ALA 28 3.340 10.372 6.474 202 H GLN 29 H GLN 29 5.368 9.748 2.854 203 HA GLN 29 HA GLN 29 5.757 7.246 1.848 204 1HB GLN 29 1HB GLN 29 6.616 9.244 0.746 205 2HB GLN 29 2HB GLN 29 7.686 9.593 2.089 206 1HG GLN 29 1HG GLN 29 8.810 7.325 1.650 207 2HG GLN 29 2HG GLN 29 7.859 7.218 0.181 208 1HE2 GLN 29 1HE2 GLN 29 9.892 7.151 -0.910 209 2HE2 GLN 29 2HE2 GLN 29 10.754 8.606 -1.287 210 H GLY 30 H GLY 30 6.566 5.380 2.699 211 1HA GLY 30 1HA GLY 30 8.552 4.392 3.727 212 2HA GLY 30 2HA GLY 30 8.458 5.631 4.962 213 H ASP 31 H ASP 31 5.439 5.560 5.043 214 HA ASP 31 HA ASP 31 5.123 3.882 7.136 215 1HB ASP 31 1HB ASP 31 3.164 4.943 5.067 216 2HB ASP 31 2HB ASP 31 2.603 3.938 6.388 217 H VAL 32 H VAL 32 3.917 1.774 7.316 218 HA VAL 32 HA VAL 32 4.181 0.183 4.857 219 HB VAL 32 HB VAL 32 4.642 -0.489 7.760 220 1HG1 VAL 32 1HG1 VAL 32 5.191 -2.767 6.182 221 2HG1 VAL 32 2HG1 VAL 32 3.919 -2.570 7.412 222 3HG1 VAL 32 3HG1 VAL 32 3.570 -2.209 5.704 223 1HG2 VAL 32 1HG2 VAL 32 6.586 0.429 6.730 224 2HG2 VAL 32 2HG2 VAL 32 6.828 -1.333 6.799 225 3HG2 VAL 32 3HG2 VAL 32 6.362 -0.559 5.266 226 H LEU 33 H LEU 33 2.398 -0.936 4.137 227 HA LEU 33 HA LEU 33 0.042 -0.819 5.890 228 1HB LEU 33 1HB LEU 33 -0.186 -0.737 2.908 229 2HB LEU 33 2HB LEU 33 -1.334 -0.227 4.130 230 HG LEU 33 HG LEU 33 1.258 1.255 3.933 231 1HD1 LEU 33 1HD1 LEU 33 0.949 2.131 1.911 232 2HD1 LEU 33 2HD1 LEU 33 -0.235 0.831 1.629 233 3HD1 LEU 33 3HD1 LEU 33 -0.781 2.422 2.213 234 1HD2 LEU 33 1HD2 LEU 33 -1.581 1.893 4.722 235 2HD2 LEU 33 2HD2 LEU 33 -0.092 1.996 5.693 236 3HD2 LEU 33 3HD2 LEU 33 -0.389 3.171 4.389 237 H THR 34 H THR 34 -1.227 -2.683 6.020 238 HA THR 34 HA THR 34 0.081 -5.067 4.948 239 HB THR 34 HB THR 34 -2.044 -4.585 7.101 240 HG1 THR 34 1HG THR 34 0.130 -4.004 7.690 241 1HG2 THR 34 1HG2 THR 34 -1.380 -7.017 5.679 242 2HG2 THR 34 2HG2 THR 34 -0.685 -7.119 7.314 243 3HG2 THR 34 3HG2 THR 34 -2.429 -6.835 7.105 244 H LEU 35 H LEU 35 -0.629 -6.118 3.205 245 HA LEU 35 HA LEU 35 -2.952 -5.163 1.873 246 1HB LEU 35 1HB LEU 35 -0.998 -7.399 1.370 247 2HB LEU 35 2HB LEU 35 -2.400 -7.139 0.350 248 HG LEU 35 HG LEU 35 -1.058 -4.633 0.611 249 1HD1 LEU 35 1HD1 LEU 35 0.761 -6.946 0.546 250 2HD1 LEU 35 2HD1 LEU 35 1.051 -5.735 -0.726 251 3HD1 LEU 35 3HD1 LEU 35 1.064 -5.247 0.985 252 1HD2 LEU 35 1HD2 LEU 35 -0.631 -5.163 -1.906 253 2HD2 LEU 35 2HD2 LEU 35 -1.656 -6.584 -1.591 254 3HD2 LEU 35 3HD2 LEU 35 -2.295 -4.946 -1.313 255 H LEU 36 H LEU 36 -4.946 -6.239 1.504 256 HA LEU 36 HA LEU 36 -5.462 -8.375 3.455 257 1HB LEU 36 1HB LEU 36 -7.375 -6.280 2.417 258 2HB LEU 36 2HB LEU 36 -7.751 -7.549 3.566 259 HG LEU 36 HG LEU 36 -5.768 -5.306 4.038 260 1HD1 LEU 36 1HD1 LEU 36 -8.102 -4.516 3.882 261 2HD1 LEU 36 2HD1 LEU 36 -8.558 -5.660 5.167 262 3HD1 LEU 36 3HD1 LEU 36 -7.422 -4.335 5.518 263 1HD2 LEU 36 1HD2 LEU 36 -6.681 -6.569 6.438 264 2HD2 LEU 36 2HD2 LEU 36 -6.056 -7.814 5.331 265 3HD2 LEU 36 3HD2 LEU 36 -5.027 -6.437 5.793 266 H ILE 37 H ILE 37 -6.335 -7.020 0.211 267 HA ILE 37 HA ILE 37 -7.244 -9.701 -0.530 268 HB ILE 37 HB ILE 37 -8.332 -8.592 -2.411 269 1HG1 ILE 37 1HG1 ILE 37 -7.420 -5.966 -1.205 270 2HG1 ILE 37 2HG1 ILE 37 -6.655 -6.720 -2.590 271 1HG2 ILE 37 1HG2 ILE 37 -9.019 -8.399 0.333 272 2HG2 ILE 37 2HG2 ILE 37 -9.498 -6.871 -0.443 273 3HG2 ILE 37 3HG2 ILE 37 -10.097 -8.420 -1.083 274 1HD1 ILE 37 1HD1 ILE 37 -9.159 -6.820 -3.523 275 2HD1 ILE 37 2HD1 ILE 37 -9.396 -5.486 -2.368 276 3HD1 ILE 37 3HD1 ILE 37 -8.188 -5.335 -3.667 277 HA PRO 38 HA PRO 38 -3.598 -10.169 -2.820 278 1HB PRO 38 1HB PRO 38 -4.240 -12.448 -4.185 279 2HB PRO 38 2HB PRO 38 -3.641 -12.454 -2.538 280 1HG PRO 38 1HG PRO 38 -6.397 -12.902 -3.510 281 2HG PRO 38 2HG PRO 38 -5.701 -13.314 -1.956 282 1HD PRO 38 1HD PRO 38 -7.449 -11.113 -2.523 283 2HD PRO 38 2HD PRO 38 -6.661 -11.459 -0.996 284 H GLU 39 H GLU 39 -6.600 -9.452 -4.122 285 HA GLU 39 HA GLU 39 -5.492 -9.281 -6.784 286 1HB GLU 39 1HB GLU 39 -8.126 -9.675 -5.663 287 2HB GLU 39 2HB GLU 39 -8.165 -8.239 -6.667 288 1HG GLU 39 1HG GLU 39 -6.840 -10.777 -7.680 289 2HG GLU 39 2HG GLU 39 -8.580 -10.590 -7.778 290 H GLU 40 H GLU 40 -6.226 -7.156 -8.040 291 HA GLU 40 HA GLU 40 -5.777 -4.910 -6.234 292 1HB GLU 40 1HB GLU 40 -4.376 -3.848 -7.966 293 2HB GLU 40 2HB GLU 40 -3.708 -5.397 -7.493 294 1HG GLU 40 1HG GLU 40 -4.890 -6.444 -9.491 295 2HG GLU 40 2HG GLU 40 -5.374 -4.835 -9.990 296 H LYS 41 H LYS 41 -6.981 -3.008 -6.660 297 HA LYS 41 HA LYS 41 -9.308 -3.450 -8.287 298 1HB LYS 41 1HB LYS 41 -9.453 -2.426 -6.049 299 2HB LYS 41 2HB LYS 41 -8.473 -1.078 -6.591 300 1HG LYS 41 1HG LYS 41 -10.512 -0.124 -7.052 301 2HG LYS 41 2HG LYS 41 -10.373 -1.033 -8.544 302 1HD LYS 41 1HD LYS 41 -11.560 -2.975 -7.325 303 2HD LYS 41 2HD LYS 41 -11.891 -1.846 -6.027 304 1HE LYS 41 1HE LYS 41 -12.991 -0.310 -7.751 305 2HE LYS 41 2HE LYS 41 -12.801 -1.592 -8.931 306 1HZ LYS 41 1HZ LYS 41 -14.567 -1.463 -6.656 307 2HZ LYS 41 2HZ LYS 41 -14.812 -2.123 -8.129 308 3HZ LYS 41 3HZ LYS 41 -13.949 -2.934 -7.005 309 H ASP 42 H ASP 42 -7.857 -3.714 -10.277 310 HA ASP 42 HA ASP 42 -7.198 -2.970 -12.203 311 1HB ASP 42 1HB ASP 42 -8.738 -0.504 -11.302 312 2HB ASP 42 2HB ASP 42 -7.946 -0.556 -12.864 313 H GLY 43 H GLY 43 -5.210 -2.920 -10.314 314 1HA GLY 43 1HA GLY 43 -3.036 -2.008 -10.591 315 2HA GLY 43 2HA GLY 43 -3.740 -0.441 -10.941 316 H TRP 44 H TRP 44 -5.651 -0.139 -8.897 317 HA TRP 44 HA TRP 44 -3.987 0.622 -6.750 318 1HB TRP 44 1HB TRP 44 -6.975 0.546 -7.141 319 2HB TRP 44 2HB TRP 44 -6.237 1.081 -5.645 320 HD1 TRP 44 HD TRP 44 -5.522 2.005 -9.392 321 HE1 TRP 44 1HE TRP 44 -5.339 4.623 -9.669 322 HE3 TRP 44 3HE TRP 44 -6.386 3.109 -4.505 323 HZ2 TRP 44 2HZ TRP 44 -5.570 6.813 -7.854 324 HZ3 TRP 44 3HZ TRP 44 -6.390 5.512 -3.840 325 HH2 TRP 44 HH TRP 44 -6.001 7.332 -5.424 326 H LEU 45 H LEU 45 -4.010 -0.232 -4.547 327 HA LEU 45 HA LEU 45 -5.057 -2.962 -4.360 328 1HB LEU 45 1HB LEU 45 -2.258 -2.012 -4.056 329 2HB LEU 45 2HB LEU 45 -2.829 -3.194 -2.894 330 HG LEU 45 HG LEU 45 -2.977 -3.582 -5.894 331 1HD1 LEU 45 1HD1 LEU 45 -0.629 -3.332 -4.957 332 2HD1 LEU 45 2HD1 LEU 45 -0.936 -4.834 -4.052 333 3HD1 LEU 45 3HD1 LEU 45 -0.983 -4.841 -5.831 334 1HD2 LEU 45 1HD2 LEU 45 -4.337 -4.900 -3.894 335 2HD2 LEU 45 2HD2 LEU 45 -3.995 -5.533 -5.522 336 3HD2 LEU 45 3HD2 LEU 45 -2.920 -5.942 -4.164 337 H TYR 46 H TYR 46 -5.634 -3.626 -2.200 338 HA TYR 46 HA TYR 46 -6.110 -1.304 -0.467 339 1HB TYR 46 1HB TYR 46 -7.948 -2.890 -1.522 340 2HB TYR 46 2HB TYR 46 -7.337 -4.122 -0.436 341 HD1 TYR 46 1HD TYR 46 -8.254 -4.327 1.703 342 HD2 TYR 46 2HD TYR 46 -8.677 -0.622 -0.394 343 HE1 TYR 46 1HE TYR 46 -9.777 -3.453 3.541 344 HE2 TYR 46 2HE TYR 46 -10.200 0.240 1.451 345 HH TYR 46 HH TYR 46 -11.104 -0.159 3.367 346 H GLY 47 H GLY 47 -5.848 -1.552 1.855 347 1HA GLY 47 1HA GLY 47 -4.687 -3.890 2.981 348 2HA GLY 47 2HA GLY 47 -3.453 -2.694 2.637 349 H GLU 48 H GLU 48 -3.443 -3.017 5.182 350 HA GLU 48 HA GLU 48 -5.307 -1.053 6.271 351 1HB GLU 48 1HB GLU 48 -5.613 -3.365 7.169 352 2HB GLU 48 2HB GLU 48 -3.947 -3.373 7.712 353 1HG GLU 48 1HG GLU 48 -4.339 -1.765 9.397 354 2HG GLU 48 2HG GLU 48 -5.749 -1.108 8.590 355 H HIS 49 H HIS 49 -4.468 0.676 7.479 356 HA HIS 49 HA HIS 49 -1.702 1.196 7.060 357 1HB HIS 49 1HB HIS 49 -3.646 2.856 7.009 358 2HB HIS 49 2HB HIS 49 -3.628 2.791 8.760 359 HD1 HIS 49 1HD HIS 49 -0.865 3.130 9.657 360 HD2 HIS 49 2HD HIS 49 -2.223 5.010 6.162 361 HE1 HIS 49 1HE HIS 49 0.725 5.080 9.230 362 H ASP 50 H ASP 50 -0.025 1.334 8.609 363 HA ASP 50 HA ASP 50 -0.512 -0.346 10.885 364 1HB ASP 50 1HB ASP 50 1.572 -0.295 9.241 365 2HB ASP 50 2HB ASP 50 2.116 1.029 10.252 366 H THR 51 H THR 51 -1.892 2.143 11.039 367 HA THR 51 HA THR 51 -0.761 3.225 13.438 368 HB THR 51 HB THR 51 -0.857 4.885 10.866 369 HG1 THR 51 1HG THR 51 1.323 4.493 11.035 370 1HG2 THR 51 1HG2 THR 51 0.452 6.266 12.979 371 2HG2 THR 51 2HG2 THR 51 -1.094 6.714 12.219 372 3HG2 THR 51 3HG2 THR 51 -1.081 5.690 13.675 373 H THR 52 H THR 52 -2.871 4.854 11.029 374 HA THR 52 HA THR 52 -4.832 5.510 12.834 375 HB THR 52 HB THR 52 -6.246 5.586 10.629 376 HG1 THR 52 1HG THR 52 -5.119 4.069 9.364 377 1HG2 THR 52 1HG2 THR 52 -3.509 6.928 10.868 378 2HG2 THR 52 2HG2 THR 52 -4.652 7.305 9.558 379 3HG2 THR 52 3HG2 THR 52 -5.096 7.637 11.249 380 H LYS 53 H LYS 53 -4.134 2.380 11.406 381 HA LYS 53 HA LYS 53 -4.959 0.386 11.924 382 1HB LYS 53 1HB LYS 53 -5.932 1.995 14.089 383 2HB LYS 53 2HB LYS 53 -7.201 0.886 13.612 384 1HG LYS 53 1HG LYS 53 -5.821 -0.245 15.258 385 2HG LYS 53 2HG LYS 53 -5.529 -1.010 13.709 386 1HD LYS 53 1HD LYS 53 -3.316 -0.616 14.015 387 2HD LYS 53 2HD LYS 53 -3.647 1.090 13.793 388 1HE LYS 53 1HE LYS 53 -4.174 1.247 16.280 389 2HE LYS 53 2HE LYS 53 -3.663 -0.421 16.448 390 1HZ LYS 53 1HZ LYS 53 -1.514 0.128 16.041 391 2HZ LYS 53 2HZ LYS 53 -1.863 1.440 15.133 392 3HZ LYS 53 3HZ LYS 53 -1.998 1.512 16.759 393 H ALA 54 H ALA 54 -6.384 2.851 10.256 394 HA ALA 54 HA ALA 54 -8.785 1.334 9.575 395 1HB ALA 54 1HB ALA 54 -9.529 3.387 8.529 396 2HB ALA 54 2HB ALA 54 -8.894 3.788 10.142 397 3HB ALA 54 3HB ALA 54 -7.912 4.113 8.693 398 H ARG 55 H ARG 55 -9.312 1.108 7.207 399 HA ARG 55 HA ARG 55 -6.828 0.711 5.739 400 1HB ARG 55 1HB ARG 55 -9.438 -0.862 5.450 401 2HB ARG 55 2HB ARG 55 -7.950 -1.184 4.582 402 1HG ARG 55 1HG ARG 55 -7.140 -2.417 6.305 403 2HG ARG 55 2HG ARG 55 -7.370 -1.089 7.425 404 1HD ARG 55 1HD ARG 55 -9.974 -2.182 6.812 405 2HD ARG 55 2HD ARG 55 -8.911 -3.520 7.199 406 HE ARG 55 HE ARG 55 -8.423 -1.518 9.143 407 1HH1 ARG 55 2HH2 ARG 55 -11.089 -3.578 8.126 408 2HH1 ARG 55 1HH2 ARG 55 -11.820 -3.623 9.695 409 1HH2 ARG 55 2HH1 ARG 55 -9.388 -1.578 11.214 410 2HH2 ARG 55 1HH1 ARG 55 -10.846 -2.478 11.463 411 H GLY 56 H GLY 56 -6.733 1.532 3.608 412 1HA GLY 56 1HA GLY 56 -9.210 2.741 2.548 413 2HA GLY 56 2HA GLY 56 -7.717 3.654 2.636 414 H TRP 57 H TRP 57 -8.208 3.762 0.194 415 HA TRP 57 HA TRP 57 -7.174 1.343 -1.119 416 1HB TRP 57 1HB TRP 57 -9.066 3.487 -2.078 417 2HB TRP 57 2HB TRP 57 -8.257 2.381 -3.171 418 HD1 TRP 57 HD TRP 57 -11.101 2.477 -0.616 419 HE1 TRP 57 1HE TRP 57 -12.525 0.256 -0.657 420 HE3 TRP 57 3HE TRP 57 -7.952 -0.106 -3.661 421 HZ2 TRP 57 2HZ TRP 57 -12.182 -2.275 -1.930 422 HZ3 TRP 57 3HZ TRP 57 -8.571 -2.446 -4.255 423 HH2 TRP 57 HH TRP 57 -10.604 -3.534 -3.442 424 H PHE 58 H PHE 58 -5.283 1.541 -2.321 425 HA PHE 58 HA PHE 58 -4.303 4.233 -2.838 426 1HB PHE 58 1HB PHE 58 -2.043 3.398 -1.932 427 2HB PHE 58 2HB PHE 58 -3.271 3.594 -0.698 428 HD1 PHE 58 1HD PHE 58 -4.128 1.710 0.506 429 HD2 PHE 58 2HD PHE 58 -1.418 1.131 -2.707 430 HE1 PHE 58 1HE PHE 58 -3.798 -0.676 1.214 431 HE2 PHE 58 2HE PHE 58 -1.088 -1.255 -1.999 432 HZ PHE 58 HZ PHE 58 -2.282 -2.130 -0.047 433 HA PRO 59 HA PRO 59 -2.990 2.338 -6.506 434 1HB PRO 59 1HB PRO 59 -1.082 4.093 -7.371 435 2HB PRO 59 2HB PRO 59 -2.801 4.368 -7.576 436 1HG PRO 59 1HG PRO 59 -0.938 5.632 -5.661 437 2HG PRO 59 2HG PRO 59 -2.524 6.176 -6.171 438 1HD PRO 59 1HD PRO 59 -1.863 4.906 -3.686 439 2HD PRO 59 2HD PRO 59 -3.465 5.344 -4.246 440 H SER 60 H SER 60 -1.981 0.462 -6.789 441 HA SER 60 HA SER 60 -0.037 -0.373 -5.119 442 1HB SER 60 1HB SER 60 0.438 -2.129 -6.775 443 2HB SER 60 2HB SER 60 -1.287 -1.834 -6.682 444 HG SER 60 HG SER 60 -0.558 -0.168 -8.557 445 H SER 61 H SER 61 0.205 1.883 -7.794 446 HA SER 61 HA SER 61 2.933 1.497 -8.320 447 1HB SER 61 1HB SER 61 0.796 3.059 -9.356 448 2HB SER 61 2HB SER 61 2.019 4.214 -8.866 449 HG SER 61 HG SER 61 1.997 2.775 -11.101 450 H TYR 62 H TYR 62 1.048 3.390 -5.966 451 HA TYR 62 HA TYR 62 3.343 4.953 -5.166 452 1HB TYR 62 1HB TYR 62 0.386 4.615 -4.562 453 2HB TYR 62 2HB TYR 62 1.358 5.325 -3.288 454 HD1 TYR 62 1HD TYR 62 1.032 7.616 -3.194 455 HD2 TYR 62 2HD TYR 62 1.323 5.736 -7.026 456 HE1 TYR 62 1HE TYR 62 0.851 9.884 -4.328 457 HE2 TYR 62 2HE TYR 62 1.142 8.011 -8.148 458 HH TYR 62 HH TYR 62 1.603 10.857 -6.534 459 H THR 63 H THR 63 2.897 1.792 -4.872 460 HA THR 63 HA THR 63 4.140 1.728 -2.241 461 HB THR 63 HB THR 63 2.516 -0.158 -1.607 462 HG1 THR 63 1HG THR 63 1.656 -0.585 -3.706 463 1HG2 THR 63 1HG2 THR 63 0.616 1.318 -1.041 464 2HG2 THR 63 2HG2 THR 63 2.137 2.198 -0.756 465 3HG2 THR 63 3HG2 THR 63 1.177 2.530 -2.218 466 H LYS 64 H LYS 64 5.370 -0.198 -1.840 467 HA LYS 64 HA LYS 64 5.737 -1.854 -4.226 468 1HB LYS 64 1HB LYS 64 8.233 -1.757 -3.717 469 2HB LYS 64 2HB LYS 64 7.517 -0.349 -4.474 470 1HG LYS 64 1HG LYS 64 7.741 0.973 -2.575 471 2HG LYS 64 2HG LYS 64 7.522 -0.374 -1.474 472 1HD LYS 64 1HD LYS 64 9.857 -1.192 -2.440 473 2HD LYS 64 2HD LYS 64 10.031 0.477 -2.943 474 1HE LYS 64 1HE LYS 64 10.637 1.060 -0.838 475 2HE LYS 64 2HE LYS 64 9.082 0.525 -0.233 476 1HZ LYS 64 1HZ LYS 64 10.265 -1.789 -0.516 477 2HZ LYS 64 2HZ LYS 64 11.599 -0.880 -0.271 478 3HZ LYS 64 3HZ LYS 64 10.410 -0.903 0.848 479 H LEU 65 H LEU 65 6.811 -3.959 -3.717 480 HA LEU 65 HA LEU 65 5.663 -5.009 -1.321 481 1HB LEU 65 1HB LEU 65 7.157 -6.113 -3.670 482 2HB LEU 65 2HB LEU 65 6.963 -7.091 -2.229 483 HG LEU 65 HG LEU 65 4.487 -5.835 -3.288 484 1HD1 LEU 65 1HD1 LEU 65 4.193 -7.286 -5.129 485 2HD1 LEU 65 2HD1 LEU 65 5.811 -6.569 -5.323 486 3HD1 LEU 65 3HD1 LEU 65 5.643 -8.234 -4.717 487 1HD2 LEU 65 1HD2 LEU 65 5.296 -8.143 -1.682 488 2HD2 LEU 65 2HD2 LEU 65 3.766 -7.234 -1.706 489 3HD2 LEU 65 3HD2 LEU 65 4.052 -8.528 -2.894 490 H LEU 66 H LEU 66 6.632 -5.458 0.617 491 HA LEU 66 HA LEU 66 9.010 -4.175 1.258 492 1HB LEU 66 1HB LEU 66 7.476 -6.386 2.625 493 2HB LEU 66 2HB LEU 66 8.867 -5.592 3.337 494 HG LEU 66 HG LEU 66 6.085 -4.657 3.047 495 1HD1 LEU 66 1HD1 LEU 66 6.460 -4.702 5.245 496 2HD1 LEU 66 2HD1 LEU 66 8.227 -4.727 5.034 497 3HD1 LEU 66 3HD1 LEU 66 7.349 -3.179 5.008 498 1HD2 LEU 66 1HD2 LEU 66 8.320 -2.634 2.759 499 2HD2 LEU 66 2HD2 LEU 66 7.276 -3.183 1.426 500 3HD2 LEU 66 3HD2 LEU 66 6.569 -2.320 2.813 501 H SER 67 H SER 67 10.828 -5.648 2.487 502 HA SER 67 HA SER 67 11.426 -8.032 1.091 503 1HB SER 67 1HB SER 67 12.764 -5.452 0.305 504 2HB SER 67 2HB SER 67 13.757 -6.895 0.374 505 HG SER 67 HG SER 67 12.703 -7.776 -1.323 506 H GLY 68 H GLY 68 11.707 -8.991 3.137 507 1HA GLY 68 1HA GLY 68 13.562 -7.705 5.011 508 2HA GLY 68 2HA GLY 68 12.440 -9.005 5.357 509 HA PRO 69 HA PRO 69 16.323 -11.157 4.878 510 1HB PRO 69 1HB PRO 69 15.874 -13.044 6.803 511 2HB PRO 69 2HB PRO 69 16.664 -11.514 7.127 512 1HG PRO 69 1HG PRO 69 13.910 -12.356 7.796 513 2HG PRO 69 2HG PRO 69 14.847 -11.034 8.464 514 1HD PRO 69 1HD PRO 69 12.727 -10.835 6.543 515 2HD PRO 69 2HD PRO 69 13.740 -9.530 7.125 516 H SER 70 H SER 70 13.186 -12.699 5.285 517 HA SER 70 HA SER 70 13.640 -14.045 2.813 518 1HB SER 70 1HB SER 70 14.557 -15.410 4.990 519 2HB SER 70 2HB SER 70 12.886 -15.937 5.007 520 HG SER 70 HG SER 70 13.129 -16.982 3.093 521 H SER 71 H SER 71 11.640 -14.169 5.857 522 HA SER 71 HA SER 71 9.323 -13.761 4.137 523 1HB SER 71 1HB SER 71 9.416 -16.126 4.908 524 2HB SER 71 2HB SER 71 9.489 -15.589 6.575 525 HG SER 71 HG SER 71 7.365 -14.363 5.818 526 H GLY 72 H GLY 72 7.942 -12.118 4.816 527 1HA GLY 72 1HA GLY 72 7.118 -11.278 7.168 528 2HA GLY 72 2HA GLY 72 8.755 -10.653 7.213 Start of MODEL 4 1 1H GLY 1 H GLY 1 5.031 -10.967 14.250 2 1HA GLY 1 1HA GLY 1 7.967 -11.167 14.524 3 2HA GLY 1 2HA GLY 1 6.791 -11.791 15.663 4 H SER 2 H SER 2 5.043 -13.338 14.500 5 HA SER 2 HA SER 2 6.433 -14.945 12.526 6 1HB SER 2 1HB SER 2 6.389 -15.699 15.185 7 2HB SER 2 2HB SER 2 4.956 -16.506 14.581 8 HG SER 2 HG SER 2 7.601 -16.714 13.414 9 H SER 3 H SER 3 3.400 -14.779 14.544 10 HA SER 3 HA SER 3 1.725 -16.047 12.883 11 1HB SER 3 1HB SER 3 1.316 -13.668 14.717 12 2HB SER 3 2HB SER 3 -0.033 -14.319 13.808 13 HG SER 3 HG SER 3 0.447 -15.193 16.076 14 H GLY 4 H GLY 4 0.917 -15.718 10.833 15 1HA GLY 4 1HA GLY 4 0.092 -13.341 9.728 16 2HA GLY 4 2HA GLY 4 1.792 -13.458 9.319 17 H SER 5 H SER 5 -1.229 -14.091 8.138 18 HA SER 5 HA SER 5 -0.141 -15.974 6.269 19 1HB SER 5 1HB SER 5 -2.028 -17.569 6.501 20 2HB SER 5 2HB SER 5 -1.075 -17.480 7.969 21 HG SER 5 HG SER 5 -3.577 -17.347 8.050 22 H SER 6 H SER 6 -0.648 -15.082 4.305 23 HA SER 6 HA SER 6 -1.720 -14.058 2.721 24 1HB SER 6 1HB SER 6 -3.980 -15.163 4.336 25 2HB SER 6 2HB SER 6 -4.408 -13.900 3.198 26 HG SER 6 HG SER 6 -2.693 -15.726 2.026 27 H GLY 7 H GLY 7 -0.817 -11.976 3.016 28 1HA GLY 7 1HA GLY 7 -2.321 -9.784 3.282 29 2HA GLY 7 2HA GLY 7 -1.998 -10.170 4.961 30 H GLN 8 H GLN 8 -0.069 -10.280 1.871 31 HA GLN 8 HA GLN 8 2.355 -9.865 2.951 32 1HB GLN 8 1HB GLN 8 1.103 -9.483 0.317 33 2HB GLN 8 2HB GLN 8 2.438 -8.375 0.569 34 1HG GLN 8 1HG GLN 8 3.204 -10.522 -0.439 35 2HG GLN 8 2HG GLN 8 3.951 -10.238 1.120 36 1HE2 GLN 8 1HE2 GLN 8 4.011 -11.885 2.430 37 2HE2 GLN 8 2HE2 GLN 8 2.912 -13.222 2.496 38 H LYS 9 H LYS 9 3.782 -7.776 2.659 39 HA LYS 9 HA LYS 9 2.203 -5.495 3.630 40 1HB LYS 9 1HB LYS 9 4.918 -6.493 4.523 41 2HB LYS 9 2HB LYS 9 4.313 -4.894 4.906 42 1HG LYS 9 1HG LYS 9 2.149 -6.299 5.696 43 2HG LYS 9 2HG LYS 9 3.335 -7.577 5.868 44 1HD LYS 9 1HD LYS 9 3.589 -4.803 7.126 45 2HD LYS 9 2HD LYS 9 3.011 -6.225 7.972 46 1HE LYS 9 1HE LYS 9 5.279 -6.250 8.562 47 2HE LYS 9 2HE LYS 9 5.288 -7.317 7.172 48 1HZ LYS 9 1HZ LYS 9 6.237 -5.726 5.875 49 2HZ LYS 9 2HZ LYS 9 5.668 -4.466 6.746 50 3HZ LYS 9 3HZ LYS 9 6.920 -5.351 7.311 51 H VAL 10 H VAL 10 2.721 -3.434 2.811 52 HA VAL 10 HA VAL 10 4.736 -3.435 0.679 53 HB VAL 10 HB VAL 10 3.166 -1.939 -0.585 54 1HG1 VAL 10 1HG1 VAL 10 2.579 -4.856 -0.085 55 2HG1 VAL 10 2HG1 VAL 10 1.634 -3.916 -1.265 56 3HG1 VAL 10 3HG1 VAL 10 3.394 -4.091 -1.470 57 1HG2 VAL 10 1HG2 VAL 10 1.625 -2.175 1.799 58 2HG2 VAL 10 2HG2 VAL 10 1.247 -1.259 0.320 59 3HG2 VAL 10 3HG2 VAL 10 0.707 -2.947 0.484 60 H LYS 11 H LYS 11 5.657 -1.289 0.243 61 HA LYS 11 HA LYS 11 5.261 0.542 2.505 62 1HB LYS 11 1HB LYS 11 7.316 -0.283 3.084 63 2HB LYS 11 2HB LYS 11 7.761 -0.682 1.437 64 1HG LYS 11 1HG LYS 11 7.996 1.776 0.930 65 2HG LYS 11 2HG LYS 11 7.616 2.139 2.602 66 1HD LYS 11 1HD LYS 11 9.732 0.129 2.475 67 2HD LYS 11 2HD LYS 11 10.172 1.523 1.508 68 1HE LYS 11 1HE LYS 11 8.973 2.183 4.160 69 2HE LYS 11 2HE LYS 11 10.512 1.350 4.244 70 1HZ LYS 11 1HZ LYS 11 10.381 3.912 3.963 71 2HZ LYS 11 2HZ LYS 11 11.568 3.059 3.235 72 3HZ LYS 11 3HZ LYS 11 10.271 3.552 2.374 73 H THR 12 H THR 12 4.881 2.651 1.969 74 HA THR 12 HA THR 12 4.490 3.232 -0.813 75 HB THR 12 HB THR 12 3.602 5.358 0.119 76 HG1 THR 12 1HG THR 12 4.199 5.876 2.241 77 1HG2 THR 12 1HG2 THR 12 2.865 2.728 1.361 78 2HG2 THR 12 2HG2 THR 12 2.334 4.180 2.244 79 3HG2 THR 12 3HG2 THR 12 1.825 3.928 0.557 80 H ILE 13 H ILE 13 5.783 4.255 -2.228 81 HA ILE 13 HA ILE 13 8.383 5.079 -1.188 82 HB ILE 13 HB ILE 13 8.931 5.100 -3.678 83 1HG1 ILE 13 1HG1 ILE 13 6.408 3.436 -3.876 84 2HG1 ILE 13 2HG1 ILE 13 6.498 5.115 -4.372 85 1HG2 ILE 13 1HG2 ILE 13 8.995 2.513 -3.688 86 2HG2 ILE 13 2HG2 ILE 13 9.898 3.395 -2.433 87 3HG2 ILE 13 3HG2 ILE 13 8.330 2.648 -2.042 88 1HD1 ILE 13 1HD1 ILE 13 7.639 2.693 -5.670 89 2HD1 ILE 13 2HD1 ILE 13 7.106 4.228 -6.395 90 3HD1 ILE 13 3HD1 ILE 13 8.716 4.109 -5.647 91 H PHE 14 H PHE 14 5.327 6.344 -2.055 92 HA PHE 14 HA PHE 14 6.484 9.008 -2.084 93 1HB PHE 14 1HB PHE 14 4.386 7.999 -4.091 94 2HB PHE 14 2HB PHE 14 5.153 9.574 -4.108 95 HD1 PHE 14 1HD PHE 14 5.037 6.789 -5.937 96 HD2 PHE 14 2HD PHE 14 7.959 9.085 -3.887 97 HE1 PHE 14 1HE PHE 14 6.811 5.911 -7.480 98 HE2 PHE 14 2HE PHE 14 9.732 8.206 -5.430 99 HZ PHE 14 HZ PHE 14 9.137 6.629 -7.208 100 HA PRO 15 HA PRO 15 2.972 9.746 0.345 101 1HB PRO 15 1HB PRO 15 2.892 12.478 0.307 102 2HB PRO 15 2HB PRO 15 3.964 11.565 1.350 103 1HG PRO 15 1HG PRO 15 4.608 13.056 -1.120 104 2HG PRO 15 2HG PRO 15 5.689 12.509 0.146 105 1HD PRO 15 1HD PRO 15 5.333 11.320 -2.440 106 2HD PRO 15 2HD PRO 15 6.327 10.708 -1.133 107 H HIS 16 H HIS 16 0.745 10.050 0.353 108 HA HIS 16 HA HIS 16 -0.402 11.422 -1.854 109 1HB HIS 16 1HB HIS 16 0.144 9.436 -3.077 110 2HB HIS 16 2HB HIS 16 -0.474 8.398 -1.807 111 HD1 HIS 16 1HD HIS 16 -3.108 8.238 -1.550 112 HD2 HIS 16 2HD HIS 16 -1.771 10.428 -4.868 113 HE1 HIS 16 1HE HIS 16 -5.126 8.510 -3.088 114 H THR 17 H THR 17 -1.190 12.545 0.085 115 HA THR 17 HA THR 17 -2.726 11.189 2.029 116 HB THR 17 HB THR 17 -2.555 14.119 1.151 117 HG1 THR 17 1HG THR 17 -1.404 12.406 3.241 118 1HG2 THR 17 1HG2 THR 17 -3.669 12.806 3.684 119 2HG2 THR 17 2HG2 THR 17 -3.280 14.537 3.548 120 3HG2 THR 17 3HG2 THR 17 -4.569 13.833 2.543 121 H ALA 18 H ALA 18 -4.970 11.054 2.357 122 HA ALA 18 HA ALA 18 -6.418 10.721 -0.084 123 1HB ALA 18 1HB ALA 18 -8.267 10.122 1.578 124 2HB ALA 18 2HB ALA 18 -6.790 9.132 1.662 125 3HB ALA 18 3HB ALA 18 -7.073 10.413 2.866 126 H GLY 19 H GLY 19 -6.819 12.814 2.865 127 1HA GLY 19 1HA GLY 19 -7.424 15.019 2.925 128 2HA GLY 19 2HA GLY 19 -7.691 15.013 1.193 129 H ASN 20 H ASN 20 -9.056 13.698 4.285 130 HA ASN 20 HA ASN 20 -11.122 13.713 5.009 131 1HB ASN 20 1HB ASN 20 -11.340 15.626 2.956 132 2HB ASN 20 2HB ASN 20 -12.585 14.465 2.541 133 1HD2 ASN 20 1HD2 ASN 20 -13.794 16.538 3.030 134 2HD2 ASN 20 2HD2 ASN 20 -14.402 16.745 4.638 135 H ASN 21 H ASN 21 -11.158 13.019 1.423 136 HA ASN 21 HA ASN 21 -13.050 11.193 1.250 137 1HB ASN 21 1HB ASN 21 -10.352 11.463 -0.070 138 2HB ASN 21 2HB ASN 21 -11.222 9.971 -0.365 139 1HD2 ASN 21 1HD2 ASN 21 -11.171 10.801 -2.575 140 2HD2 ASN 21 2HD2 ASN 21 -12.431 11.855 -3.124 141 H LYS 22 H LYS 22 -13.480 9.245 2.302 142 HA LYS 22 HA LYS 22 -11.396 8.067 3.904 143 1HB LYS 22 1HB LYS 22 -13.139 6.758 4.875 144 2HB LYS 22 2HB LYS 22 -13.732 8.399 4.719 145 1HG LYS 22 1HG LYS 22 -15.530 7.515 3.643 146 2HG LYS 22 2HG LYS 22 -14.466 7.260 2.275 147 1HD LYS 22 1HD LYS 22 -14.326 4.990 2.629 148 2HD LYS 22 2HD LYS 22 -14.262 5.159 4.372 149 1HE LYS 22 1HE LYS 22 -16.799 5.855 4.165 150 2HE LYS 22 2HE LYS 22 -16.709 5.124 2.575 151 1HZ LYS 22 1HZ LYS 22 -15.513 3.374 4.331 152 2HZ LYS 22 2HZ LYS 22 -16.897 3.857 5.049 153 3HZ LYS 22 3HZ LYS 22 -16.941 3.188 3.561 154 H THR 23 H THR 23 -12.440 7.865 0.668 155 HA THR 23 HA THR 23 -12.168 5.069 0.270 156 HB THR 23 HB THR 23 -12.242 5.748 -2.115 157 HG1 THR 23 1HG THR 23 -11.438 7.769 -2.561 158 1HG2 THR 23 1HG2 THR 23 -14.444 6.309 -1.892 159 2HG2 THR 23 2HG2 THR 23 -14.175 6.621 -0.160 160 3HG2 THR 23 3HG2 THR 23 -13.974 7.936 -1.343 161 H LEU 24 H LEU 24 -9.917 7.868 -0.133 162 HA LEU 24 HA LEU 24 -7.794 6.021 -0.803 163 1HB LEU 24 1HB LEU 24 -7.464 8.968 -0.361 164 2HB LEU 24 2HB LEU 24 -6.544 7.890 -1.393 165 HG LEU 24 HG LEU 24 -9.446 8.529 -1.941 166 1HD1 LEU 24 1HD1 LEU 24 -7.654 10.521 -1.813 167 2HD1 LEU 24 2HD1 LEU 24 -7.342 9.960 -3.474 168 3HD1 LEU 24 3HD1 LEU 24 -8.979 10.474 -3.001 169 1HD2 LEU 24 1HD2 LEU 24 -7.233 7.148 -3.395 170 2HD2 LEU 24 2HD2 LEU 24 -8.963 6.746 -3.282 171 3HD2 LEU 24 3HD2 LEU 24 -8.425 8.071 -4.341 172 H LEU 25 H LEU 25 -5.769 5.925 0.428 173 HA LEU 25 HA LEU 25 -6.330 6.239 3.285 174 1HB LEU 25 1HB LEU 25 -5.726 3.993 2.091 175 2HB LEU 25 2HB LEU 25 -4.087 4.609 2.152 176 HG LEU 25 HG LEU 25 -4.254 4.811 4.613 177 1HD1 LEU 25 1HD1 LEU 25 -7.025 4.575 4.140 178 2HD1 LEU 25 2HD1 LEU 25 -6.542 3.125 5.054 179 3HD1 LEU 25 3HD1 LEU 25 -6.185 4.745 5.700 180 1HD2 LEU 25 1HD2 LEU 25 -4.807 2.105 4.772 181 2HD2 LEU 25 2HD2 LEU 25 -4.302 2.326 3.079 182 3HD2 LEU 25 3HD2 LEU 25 -3.229 2.842 4.403 183 H SER 26 H SER 26 -5.312 7.804 4.420 184 HA SER 26 HA SER 26 -3.320 9.319 3.005 185 1HB SER 26 1HB SER 26 -3.672 11.020 4.655 186 2HB SER 26 2HB SER 26 -5.256 10.365 4.293 187 HG SER 26 HG SER 26 -4.902 10.601 6.595 188 H PHE 27 H PHE 27 -1.146 8.985 3.294 189 HA PHE 27 HA PHE 27 -0.166 8.253 5.895 190 1HB PHE 27 1HB PHE 27 1.042 6.236 4.820 191 2HB PHE 27 2HB PHE 27 -0.689 6.032 5.000 192 HD1 PHE 27 1HD PHE 27 -1.963 5.406 3.163 193 HD2 PHE 27 2HD PHE 27 1.851 7.149 2.513 194 HE1 PHE 27 1HE PHE 27 -2.162 4.926 0.708 195 HE2 PHE 27 2HE PHE 27 1.652 6.668 0.057 196 HZ PHE 27 HZ PHE 27 -0.352 5.562 -0.816 197 H ALA 28 H ALA 28 2.351 8.004 5.767 198 HA ALA 28 HA ALA 28 3.286 10.029 3.857 199 1HB ALA 28 1HB ALA 28 4.815 10.733 5.495 200 2HB ALA 28 2HB ALA 28 3.362 10.345 6.447 201 3HB ALA 28 3HB ALA 28 4.719 9.194 6.385 202 H GLN 29 H GLN 29 5.466 9.709 2.934 203 HA GLN 29 HA GLN 29 5.727 7.230 1.812 204 1HB GLN 29 1HB GLN 29 6.729 9.229 0.830 205 2HB GLN 29 2HB GLN 29 7.787 9.440 2.211 206 1HG GLN 29 1HG GLN 29 8.700 7.062 1.656 207 2HG GLN 29 2HG GLN 29 7.873 7.230 0.120 208 1HE2 GLN 29 1HE2 GLN 29 10.626 6.930 0.387 209 2HE2 GLN 29 2HE2 GLN 29 11.433 8.360 -0.165 210 H GLY 30 H GLY 30 6.752 5.318 2.369 211 1HA GLY 30 1HA GLY 30 8.489 4.145 3.469 212 2HA GLY 30 2HA GLY 30 8.505 5.355 4.737 213 H ASP 31 H ASP 31 5.519 5.529 4.925 214 HA ASP 31 HA ASP 31 5.071 3.889 6.976 215 1HB ASP 31 1HB ASP 31 3.155 4.899 4.835 216 2HB ASP 31 2HB ASP 31 2.576 4.030 6.242 217 H VAL 32 H VAL 32 3.890 1.803 7.220 218 HA VAL 32 HA VAL 32 4.061 0.154 4.792 219 HB VAL 32 HB VAL 32 4.506 -0.532 7.702 220 1HG1 VAL 32 1HG1 VAL 32 3.979 -2.654 7.273 221 2HG1 VAL 32 2HG1 VAL 32 3.509 -2.206 5.615 222 3HG1 VAL 32 3HG1 VAL 32 5.184 -2.699 5.964 223 1HG2 VAL 32 1HG2 VAL 32 6.383 -0.726 5.323 224 2HG2 VAL 32 2HG2 VAL 32 6.382 0.597 6.514 225 3HG2 VAL 32 3HG2 VAL 32 6.771 -1.062 7.028 226 H LEU 33 H LEU 33 2.239 -0.937 4.137 227 HA LEU 33 HA LEU 33 -0.063 -0.763 5.954 228 1HB LEU 33 1HB LEU 33 -0.424 -0.725 2.993 229 2HB LEU 33 2HB LEU 33 -1.469 -0.115 4.260 230 HG LEU 33 HG LEU 33 1.189 1.200 3.773 231 1HD1 LEU 33 1HD1 LEU 33 -1.319 1.873 2.214 232 2HD1 LEU 33 2HD1 LEU 33 0.283 2.638 2.082 233 3HD1 LEU 33 3HD1 LEU 33 0.057 0.950 1.563 234 1HD2 LEU 33 1HD2 LEU 33 -0.215 3.218 4.454 235 2HD2 LEU 33 2HD2 LEU 33 -1.472 2.046 4.920 236 3HD2 LEU 33 3HD2 LEU 33 0.124 2.001 5.708 237 H THR 34 H THR 34 -1.362 -2.604 6.132 238 HA THR 34 HA THR 34 -0.113 -5.021 5.076 239 HB THR 34 HB THR 34 -2.345 -4.605 7.134 240 HG1 THR 34 1HG THR 34 -0.365 -5.067 8.522 241 1HG2 THR 34 1HG2 THR 34 -2.283 -6.873 7.482 242 2HG2 THR 34 2HG2 THR 34 -1.491 -6.977 5.891 243 3HG2 THR 34 3HG2 THR 34 -0.507 -6.908 7.373 244 H LEU 35 H LEU 35 -0.835 -6.086 3.347 245 HA LEU 35 HA LEU 35 -3.139 -5.105 1.995 246 1HB LEU 35 1HB LEU 35 -1.212 -7.368 1.510 247 2HB LEU 35 2HB LEU 35 -2.604 -7.090 0.482 248 HG LEU 35 HG LEU 35 -1.215 -4.606 0.752 249 1HD1 LEU 35 1HD1 LEU 35 0.894 -5.274 1.119 250 2HD1 LEU 35 2HD1 LEU 35 0.552 -6.960 0.663 251 3HD1 LEU 35 3HD1 LEU 35 0.865 -5.743 -0.598 252 1HD2 LEU 35 1HD2 LEU 35 -2.461 -4.874 -1.170 253 2HD2 LEU 35 2HD2 LEU 35 -0.807 -5.143 -1.771 254 3HD2 LEU 35 3HD2 LEU 35 -1.875 -6.531 -1.453 255 H LEU 36 H LEU 36 -5.122 -6.222 1.569 256 HA LEU 36 HA LEU 36 -5.667 -8.333 3.539 257 1HB LEU 36 1HB LEU 36 -7.575 -6.223 2.523 258 2HB LEU 36 2HB LEU 36 -7.937 -7.483 3.687 259 HG LEU 36 HG LEU 36 -5.964 -5.218 4.099 260 1HD1 LEU 36 1HD1 LEU 36 -7.671 -4.502 5.831 261 2HD1 LEU 36 2HD1 LEU 36 -8.129 -4.273 4.126 262 3HD1 LEU 36 3HD1 LEU 36 -8.801 -5.636 5.053 263 1HD2 LEU 36 1HD2 LEU 36 -6.763 -6.518 6.525 264 2HD2 LEU 36 2HD2 LEU 36 -6.129 -7.733 5.389 265 3HD2 LEU 36 3HD2 LEU 36 -5.136 -6.323 5.832 266 H ILE 37 H ILE 37 -6.224 -7.013 0.244 267 HA ILE 37 HA ILE 37 -7.329 -9.629 -0.493 268 HB ILE 37 HB ILE 37 -8.263 -8.474 -2.439 269 1HG1 ILE 37 1HG1 ILE 37 -7.699 -5.786 -1.280 270 2HG1 ILE 37 2HG1 ILE 37 -6.382 -6.581 -2.120 271 1HG2 ILE 37 1HG2 ILE 37 -10.076 -8.272 -1.184 272 2HG2 ILE 37 2HG2 ILE 37 -9.069 -8.233 0.283 273 3HG2 ILE 37 3HG2 ILE 37 -9.480 -6.717 -0.554 274 1HD1 ILE 37 1HD1 ILE 37 -8.775 -5.325 -3.223 275 2HD1 ILE 37 2HD1 ILE 37 -7.304 -5.871 -4.064 276 3HD1 ILE 37 3HD1 ILE 37 -8.638 -7.013 -3.772 277 HA PRO 38 HA PRO 38 -3.632 -10.321 -2.637 278 1HB PRO 38 1HB PRO 38 -4.352 -12.558 -4.031 279 2HB PRO 38 2HB PRO 38 -3.825 -12.598 -2.360 280 1HG PRO 38 1HG PRO 38 -6.559 -12.880 -3.448 281 2HG PRO 38 2HG PRO 38 -5.955 -13.331 -1.866 282 1HD PRO 38 1HD PRO 38 -7.542 -11.029 -2.504 283 2HD PRO 38 2HD PRO 38 -6.841 -11.420 -0.946 284 H GLU 39 H GLU 39 -6.546 -9.477 -4.085 285 HA GLU 39 HA GLU 39 -5.268 -9.314 -6.676 286 1HB GLU 39 1HB GLU 39 -8.063 -9.417 -5.674 287 2HB GLU 39 2HB GLU 39 -7.824 -8.313 -7.014 288 1HG GLU 39 1HG GLU 39 -8.306 -10.388 -8.067 289 2HG GLU 39 2HG GLU 39 -6.564 -10.250 -8.193 290 H GLU 40 H GLU 40 -6.182 -7.136 -7.919 291 HA GLU 40 HA GLU 40 -5.705 -4.930 -6.079 292 1HB GLU 40 1HB GLU 40 -4.297 -3.825 -7.791 293 2HB GLU 40 2HB GLU 40 -3.609 -5.358 -7.293 294 1HG GLU 40 1HG GLU 40 -4.921 -6.367 -9.334 295 2HG GLU 40 2HG GLU 40 -5.068 -4.708 -9.878 296 H LYS 41 H LYS 41 -6.908 -3.025 -6.497 297 HA LYS 41 HA LYS 41 -9.219 -3.453 -8.143 298 1HB LYS 41 1HB LYS 41 -9.175 -2.365 -5.841 299 2HB LYS 41 2HB LYS 41 -8.463 -0.959 -6.605 300 1HG LYS 41 1HG LYS 41 -10.830 -1.954 -8.067 301 2HG LYS 41 2HG LYS 41 -11.204 -1.517 -6.412 302 1HD LYS 41 1HD LYS 41 -9.659 0.629 -7.092 303 2HD LYS 41 2HD LYS 41 -10.288 0.222 -8.676 304 1HE LYS 41 1HE LYS 41 -12.017 0.659 -6.193 305 2HE LYS 41 2HE LYS 41 -11.732 1.871 -7.427 306 1HZ LYS 41 1HZ LYS 41 -13.516 0.966 -8.357 307 2HZ LYS 41 2HZ LYS 41 -12.525 -0.227 -8.868 308 3HZ LYS 41 3HZ LYS 41 -13.417 -0.430 -7.516 309 H ASP 42 H ASP 42 -7.579 -3.735 -10.062 310 HA ASP 42 HA ASP 42 -6.880 -3.004 -11.978 311 1HB ASP 42 1HB ASP 42 -8.688 -0.686 -11.219 312 2HB ASP 42 2HB ASP 42 -7.750 -0.613 -12.698 313 H GLY 43 H GLY 43 -4.783 -2.879 -10.522 314 1HA GLY 43 1HA GLY 43 -2.752 -1.781 -10.581 315 2HA GLY 43 2HA GLY 43 -3.553 -0.273 -10.976 316 H TRP 44 H TRP 44 -5.571 -0.251 -8.907 317 HA TRP 44 HA TRP 44 -3.955 0.709 -6.760 318 1HB TRP 44 1HB TRP 44 -6.934 0.494 -7.189 319 2HB TRP 44 2HB TRP 44 -6.225 1.122 -5.715 320 HD1 TRP 44 HD TRP 44 -5.912 1.938 -9.536 321 HE1 TRP 44 1HE TRP 44 -5.709 4.543 -9.904 322 HE3 TRP 44 3HE TRP 44 -5.953 3.167 -4.602 323 HZ2 TRP 44 2HZ TRP 44 -5.590 6.775 -8.130 324 HZ3 TRP 44 3HZ TRP 44 -5.789 5.582 -4.006 325 HH2 TRP 44 HH TRP 44 -5.613 7.357 -5.676 326 H LEU 45 H LEU 45 -3.944 -0.137 -4.570 327 HA LEU 45 HA LEU 45 -4.905 -2.901 -4.370 328 1HB LEU 45 1HB LEU 45 -2.157 -1.841 -4.058 329 2HB LEU 45 2HB LEU 45 -2.688 -2.979 -2.837 330 HG LEU 45 HG LEU 45 -2.808 -3.538 -5.811 331 1HD1 LEU 45 1HD1 LEU 45 -0.731 -4.674 -3.950 332 2HD1 LEU 45 2HD1 LEU 45 -0.748 -4.622 -5.729 333 3HD1 LEU 45 3HD1 LEU 45 -0.474 -3.130 -4.798 334 1HD2 LEU 45 1HD2 LEU 45 -4.037 -4.823 -3.653 335 2HD2 LEU 45 2HD2 LEU 45 -3.832 -5.443 -5.309 336 3HD2 LEU 45 3HD2 LEU 45 -2.630 -5.836 -4.056 337 H TYR 46 H TYR 46 -5.498 -3.570 -2.214 338 HA TYR 46 HA TYR 46 -6.124 -1.254 -0.522 339 1HB TYR 46 1HB TYR 46 -7.780 -3.088 -1.632 340 2HB TYR 46 2HB TYR 46 -7.222 -4.100 -0.314 341 HD1 TYR 46 1HD TYR 46 -8.358 -0.530 -0.670 342 HD2 TYR 46 2HD TYR 46 -8.693 -4.223 1.463 343 HE1 TYR 46 1HE TYR 46 -10.092 0.510 0.871 344 HE2 TYR 46 2HE TYR 46 -10.427 -3.170 2.997 345 HH TYR 46 HH TYR 46 -10.801 -0.338 3.614 346 H GLY 47 H GLY 47 -6.139 -1.688 1.882 347 1HA GLY 47 1HA GLY 47 -4.861 -3.857 3.063 348 2HA GLY 47 2HA GLY 47 -3.617 -2.678 2.697 349 H GLU 48 H GLU 48 -3.588 -2.842 5.226 350 HA GLU 48 HA GLU 48 -5.481 -0.856 6.223 351 1HB GLU 48 1HB GLU 48 -5.875 -3.067 7.241 352 2HB GLU 48 2HB GLU 48 -4.191 -3.188 7.708 353 1HG GLU 48 1HG GLU 48 -4.442 -1.171 9.162 354 2HG GLU 48 2HG GLU 48 -6.122 -1.030 8.685 355 H HIS 49 H HIS 49 -4.652 0.824 7.577 356 HA HIS 49 HA HIS 49 -1.854 1.315 7.136 357 1HB HIS 49 1HB HIS 49 -3.761 3.006 6.906 358 2HB HIS 49 2HB HIS 49 -3.812 3.045 8.657 359 HD1 HIS 49 1HD HIS 49 -0.932 3.224 9.502 360 HD2 HIS 49 2HD HIS 49 -2.406 5.236 6.129 361 HE1 HIS 49 1HE HIS 49 0.676 5.156 9.062 362 H ASP 50 H ASP 50 -0.224 1.353 8.694 363 HA ASP 50 HA ASP 50 -0.888 -0.092 11.077 364 1HB ASP 50 1HB ASP 50 1.235 -0.306 9.497 365 2HB ASP 50 2HB ASP 50 1.847 1.046 10.429 366 H THR 51 H THR 51 -2.117 2.454 11.063 367 HA THR 51 HA THR 51 -0.889 3.665 13.362 368 HB THR 51 HB THR 51 -1.053 5.133 10.677 369 HG1 THR 51 1HG THR 51 1.241 5.095 11.015 370 1HG2 THR 51 1HG2 THR 51 -1.298 6.200 13.333 371 2HG2 THR 51 2HG2 THR 51 0.369 6.522 12.798 372 3HG2 THR 51 3HG2 THR 51 -1.006 7.105 11.828 373 H THR 52 H THR 52 -3.216 4.601 10.735 374 HA THR 52 HA THR 52 -5.079 5.559 12.668 375 HB THR 52 HB THR 52 -6.429 6.006 10.649 376 HG1 THR 52 1HG THR 52 -6.069 4.673 8.898 377 1HG2 THR 52 1HG2 THR 52 -4.113 6.541 9.101 378 2HG2 THR 52 2HG2 THR 52 -4.944 7.684 10.184 379 3HG2 THR 52 3HG2 THR 52 -3.582 6.712 10.792 380 H LYS 53 H LYS 53 -4.394 2.435 11.219 381 HA LYS 53 HA LYS 53 -5.209 0.440 11.763 382 1HB LYS 53 1HB LYS 53 -7.294 1.746 13.524 383 2HB LYS 53 2HB LYS 53 -6.708 0.096 13.591 384 1HG LYS 53 1HG LYS 53 -4.933 2.537 14.059 385 2HG LYS 53 2HG LYS 53 -5.718 1.649 15.350 386 1HD LYS 53 1HD LYS 53 -4.308 -0.186 13.556 387 2HD LYS 53 2HD LYS 53 -3.220 1.057 14.138 388 1HE LYS 53 1HE LYS 53 -3.584 0.481 16.430 389 2HE LYS 53 2HE LYS 53 -5.063 -0.388 16.073 390 1HZ LYS 53 1HZ LYS 53 -3.304 -1.725 14.611 391 2HZ LYS 53 2HZ LYS 53 -2.349 -1.271 15.856 392 3HZ LYS 53 3HZ LYS 53 -3.706 -2.133 16.140 393 H ALA 54 H ALA 54 -6.627 2.899 10.063 394 HA ALA 54 HA ALA 54 -8.996 1.352 9.336 395 1HB ALA 54 1HB ALA 54 -8.147 4.138 8.455 396 2HB ALA 54 2HB ALA 54 -9.756 3.393 8.291 397 3HB ALA 54 3HB ALA 54 -9.129 3.812 9.904 398 H ARG 55 H ARG 55 -9.480 1.177 6.936 399 HA ARG 55 HA ARG 55 -6.961 0.752 5.537 400 1HB ARG 55 1HB ARG 55 -9.601 -0.775 5.279 401 2HB ARG 55 2HB ARG 55 -8.207 -1.049 4.254 402 1HG ARG 55 1HG ARG 55 -7.286 -2.413 5.811 403 2HG ARG 55 2HG ARG 55 -7.305 -1.121 6.994 404 1HD ARG 55 1HD ARG 55 -9.944 -1.789 7.070 405 2HD ARG 55 2HD ARG 55 -9.292 -3.335 6.566 406 HE ARG 55 HE ARG 55 -7.674 -2.410 8.711 407 1HH1 ARG 55 2HH2 ARG 55 -10.994 -3.444 8.166 408 2HH1 ARG 55 1HH2 ARG 55 -11.215 -4.021 9.784 409 1HH2 ARG 55 2HH1 ARG 55 -7.965 -3.171 10.846 410 2HH2 ARG 55 1HH1 ARG 55 -9.480 -3.865 11.319 411 H GLY 56 H GLY 56 -6.782 1.590 3.415 412 1HA GLY 56 1HA GLY 56 -9.193 2.891 2.308 413 2HA GLY 56 2HA GLY 56 -7.671 3.751 2.441 414 H TRP 57 H TRP 57 -8.155 3.880 -0.019 415 HA TRP 57 HA TRP 57 -7.129 1.454 -1.325 416 1HB TRP 57 1HB TRP 57 -8.993 3.616 -2.297 417 2HB TRP 57 2HB TRP 57 -8.175 2.516 -3.389 418 HD1 TRP 57 HD TRP 57 -11.176 2.686 -1.100 419 HE1 TRP 57 1HE TRP 57 -12.564 0.441 -1.095 420 HE3 TRP 57 3HE TRP 57 -7.703 -0.082 -3.578 421 HZ2 TRP 57 2HZ TRP 57 -12.065 -2.181 -2.106 422 HZ3 TRP 57 3HZ TRP 57 -8.232 -2.476 -4.029 423 HH2 TRP 57 HH TRP 57 -10.326 -3.531 -3.336 424 H PHE 58 H PHE 58 -5.214 1.632 -2.487 425 HA PHE 58 HA PHE 58 -4.207 4.312 -3.010 426 1HB PHE 58 1HB PHE 58 -1.985 3.528 -2.023 427 2HB PHE 58 2HB PHE 58 -3.253 3.652 -0.820 428 HD1 PHE 58 1HD PHE 58 -1.140 1.354 -2.722 429 HD2 PHE 58 2HD PHE 58 -4.198 1.660 0.204 430 HE1 PHE 58 1HE PHE 58 -0.747 -1.036 -2.062 431 HE2 PHE 58 2HE PHE 58 -3.805 -0.729 0.864 432 HZ PHE 58 HZ PHE 58 -2.085 -2.049 -0.276 433 HA PRO 59 HA PRO 59 -2.827 2.362 -6.623 434 1HB PRO 59 1HB PRO 59 -0.898 4.101 -7.474 435 2HB PRO 59 2HB PRO 59 -2.612 4.376 -7.719 436 1HG PRO 59 1HG PRO 59 -0.785 5.664 -5.783 437 2HG PRO 59 2HG PRO 59 -2.359 6.203 -6.334 438 1HD PRO 59 1HD PRO 59 -1.752 4.967 -3.818 439 2HD PRO 59 2HD PRO 59 -3.341 5.400 -4.416 440 H SER 60 H SER 60 -1.867 0.443 -6.741 441 HA SER 60 HA SER 60 0.099 -0.301 -5.051 442 1HB SER 60 1HB SER 60 0.459 -2.203 -6.510 443 2HB SER 60 2HB SER 60 -1.246 -1.798 -6.560 444 HG SER 60 HG SER 60 -0.672 -0.494 -8.550 445 H SER 61 H SER 61 0.312 1.770 -7.870 446 HA SER 61 HA SER 61 3.021 1.309 -8.433 447 1HB SER 61 1HB SER 61 0.901 2.775 -9.564 448 2HB SER 61 2HB SER 61 2.058 4.006 -9.099 449 HG SER 61 HG SER 61 3.592 2.190 -10.198 450 H TYR 62 H TYR 62 1.228 3.336 -6.131 451 HA TYR 62 HA TYR 62 3.568 4.915 -5.489 452 1HB TYR 62 1HB TYR 62 0.619 4.673 -4.776 453 2HB TYR 62 2HB TYR 62 1.649 5.486 -3.614 454 HD1 TYR 62 1HD TYR 62 1.857 5.595 -7.347 455 HD2 TYR 62 2HD TYR 62 0.961 7.729 -3.748 456 HE1 TYR 62 1HE TYR 62 1.652 7.756 -8.670 457 HE2 TYR 62 2HE TYR 62 0.759 9.882 -5.084 458 HH TYR 62 HH TYR 62 1.972 10.290 -8.039 459 H THR 63 H THR 63 3.059 1.791 -4.988 460 HA THR 63 HA THR 63 4.346 1.863 -2.379 461 HB THR 63 HB THR 63 2.687 0.037 -1.623 462 HG1 THR 63 1HG THR 63 1.744 -0.435 -3.673 463 1HG2 THR 63 1HG2 THR 63 1.445 2.757 -2.294 464 2HG2 THR 63 2HG2 THR 63 0.855 1.607 -1.070 465 3HG2 THR 63 3HG2 THR 63 2.419 2.426 -0.841 466 H LYS 64 H LYS 64 5.536 -0.065 -1.875 467 HA LYS 64 HA LYS 64 5.852 -1.845 -4.183 468 1HB LYS 64 1HB LYS 64 8.170 -0.747 -2.572 469 2HB LYS 64 2HB LYS 64 8.247 -1.757 -4.002 470 1HG LYS 64 1HG LYS 64 6.803 0.235 -5.079 471 2HG LYS 64 2HG LYS 64 7.521 1.165 -3.778 472 1HD LYS 64 1HD LYS 64 9.181 1.452 -5.368 473 2HD LYS 64 2HD LYS 64 9.777 -0.020 -4.628 474 1HE LYS 64 1HE LYS 64 8.304 -1.266 -6.411 475 2HE LYS 64 2HE LYS 64 8.246 0.278 -7.237 476 1HZ LYS 64 1HZ LYS 64 10.473 -1.500 -6.867 477 2HZ LYS 64 2HZ LYS 64 10.137 -0.494 -8.109 478 3HZ LYS 64 3HZ LYS 64 10.825 0.091 -6.749 479 H LEU 65 H LEU 65 6.574 -4.007 -3.640 480 HA LEU 65 HA LEU 65 5.540 -4.815 -1.091 481 1HB LEU 65 1HB LEU 65 6.563 -6.196 -3.546 482 2HB LEU 65 2HB LEU 65 6.379 -7.094 -2.052 483 HG LEU 65 HG LEU 65 4.032 -5.481 -2.904 484 1HD1 LEU 65 1HD1 LEU 65 3.307 -6.931 -4.625 485 2HD1 LEU 65 2HD1 LEU 65 4.983 -6.488 -5.026 486 3HD1 LEU 65 3HD1 LEU 65 4.629 -8.083 -4.320 487 1HD2 LEU 65 1HD2 LEU 65 4.613 -7.972 -1.398 488 2HD2 LEU 65 2HD2 LEU 65 3.432 -6.679 -1.082 489 3HD2 LEU 65 3HD2 LEU 65 3.084 -7.922 -2.307 490 H LEU 66 H LEU 66 6.661 -5.372 0.735 491 HA LEU 66 HA LEU 66 9.361 -4.546 0.898 492 1HB LEU 66 1HB LEU 66 7.504 -5.978 2.794 493 2HB LEU 66 2HB LEU 66 9.155 -5.561 3.211 494 HG LEU 66 HG LEU 66 6.783 -3.777 2.806 495 1HD1 LEU 66 1HD1 LEU 66 7.110 -4.190 5.054 496 2HD1 LEU 66 2HD1 LEU 66 8.883 -4.219 4.905 497 3HD1 LEU 66 3HD1 LEU 66 8.008 -2.671 4.826 498 1HD2 LEU 66 1HD2 LEU 66 8.139 -2.640 1.315 499 2HD2 LEU 66 2HD2 LEU 66 8.522 -1.845 2.862 500 3HD2 LEU 66 3HD2 LEU 66 9.634 -3.059 2.185 501 H SER 67 H SER 67 11.032 -6.129 1.996 502 HA SER 67 HA SER 67 10.868 -8.631 0.504 503 1HB SER 67 1HB SER 67 13.575 -7.616 1.212 504 2HB SER 67 2HB SER 67 13.022 -8.391 -0.259 505 HG SER 67 HG SER 67 11.749 -6.081 -0.283 506 H GLY 68 H GLY 68 10.191 -10.023 2.158 507 1HA GLY 68 1HA GLY 68 11.479 -9.835 4.774 508 2HA GLY 68 2HA GLY 68 10.091 -10.810 4.333 509 HA PRO 69 HA PRO 69 13.835 -13.462 4.319 510 1HB PRO 69 1HB PRO 69 13.245 -15.069 6.449 511 2HB PRO 69 2HB PRO 69 14.288 -13.666 6.567 512 1HG PRO 69 1HG PRO 69 11.497 -13.983 7.487 513 2HG PRO 69 2HG PRO 69 12.678 -12.777 7.959 514 1HD PRO 69 1HD PRO 69 10.472 -12.409 6.162 515 2HD PRO 69 2HD PRO 69 11.720 -11.239 6.544 516 H SER 70 H SER 70 14.106 -15.498 3.385 517 HA SER 70 HA SER 70 11.795 -16.308 2.032 518 1HB SER 70 1HB SER 70 14.650 -16.998 2.093 519 2HB SER 70 2HB SER 70 13.652 -18.419 1.858 520 HG SER 70 HG SER 70 12.889 -17.643 -0.059 521 H SER 71 H SER 71 10.750 -18.479 2.148 522 HA SER 71 HA SER 71 9.652 -19.990 3.257 523 1HB SER 71 1HB SER 71 12.050 -20.938 3.283 524 2HB SER 71 2HB SER 71 12.145 -20.415 4.952 525 HG SER 71 HG SER 71 10.877 -22.041 5.575 526 H GLY 72 H GLY 72 8.012 -18.952 4.401 527 1HA GLY 72 1HA GLY 72 8.470 -18.561 7.254 528 2HA GLY 72 2HA GLY 72 8.026 -17.138 6.333 Start of MODEL 5 1 1H GLY 1 H GLY 1 -5.335 -16.662 16.095 2 1HA GLY 1 1HA GLY 1 -3.968 -15.315 13.840 3 2HA GLY 1 2HA GLY 1 -3.346 -16.746 14.639 4 H SER 2 H SER 2 -3.514 -17.301 12.128 5 HA SER 2 HA SER 2 -5.744 -19.061 11.955 6 1HB SER 2 1HB SER 2 -6.139 -16.543 10.854 7 2HB SER 2 2HB SER 2 -5.554 -17.449 9.473 8 HG SER 2 HG SER 2 -7.318 -19.065 10.665 9 H SER 3 H SER 3 -5.481 -20.593 10.077 10 HA SER 3 HA SER 3 -2.655 -20.798 9.453 11 1HB SER 3 1HB SER 3 -4.608 -22.677 10.297 12 2HB SER 3 2HB SER 3 -4.274 -23.084 8.626 13 HG SER 3 HG SER 3 -2.101 -22.572 10.437 14 H GLY 4 H GLY 4 -1.930 -20.420 7.380 15 1HA GLY 4 1HA GLY 4 -1.942 -20.086 5.156 16 2HA GLY 4 2HA GLY 4 -3.383 -21.079 5.057 17 H SER 5 H SER 5 -2.099 -17.872 4.883 18 HA SER 5 HA SER 5 -4.496 -16.864 3.914 19 1HB SER 5 1HB SER 5 -5.036 -16.925 6.404 20 2HB SER 5 2HB SER 5 -3.753 -15.759 6.657 21 HG SER 5 HG SER 5 -5.594 -15.057 4.639 22 H SER 6 H SER 6 -3.961 -15.128 2.592 23 HA SER 6 HA SER 6 -1.229 -14.357 2.583 24 1HB SER 6 1HB SER 6 -1.907 -12.989 0.597 25 2HB SER 6 2HB SER 6 -2.383 -14.670 0.463 26 HG SER 6 HG SER 6 -4.143 -13.334 -0.155 27 H GLY 7 H GLY 7 -0.529 -12.015 2.586 28 1HA GLY 7 1HA GLY 7 -2.085 -9.878 3.368 29 2HA GLY 7 2HA GLY 7 -1.593 -10.661 4.857 30 H GLN 8 H GLN 8 0.121 -10.247 1.679 31 HA GLN 8 HA GLN 8 2.576 -9.849 2.823 32 1HB GLN 8 1HB GLN 8 1.411 -9.783 0.191 33 2HB GLN 8 2HB GLN 8 2.437 -8.372 0.352 34 1HG GLN 8 1HG GLN 8 3.377 -11.162 1.142 35 2HG GLN 8 2HG GLN 8 3.570 -10.538 -0.484 36 1HE2 GLN 8 1HE2 GLN 8 5.508 -11.275 1.633 37 2HE2 GLN 8 2HE2 GLN 8 6.543 -9.904 1.855 38 H LYS 9 H LYS 9 3.945 -7.770 2.662 39 HA LYS 9 HA LYS 9 2.266 -5.485 3.434 40 1HB LYS 9 1HB LYS 9 4.954 -6.346 4.543 41 2HB LYS 9 2HB LYS 9 4.178 -4.817 4.904 42 1HG LYS 9 1HG LYS 9 2.126 -6.646 5.382 43 2HG LYS 9 2HG LYS 9 3.543 -7.534 5.905 44 1HD LYS 9 1HD LYS 9 3.688 -4.768 6.841 45 2HD LYS 9 2HD LYS 9 2.168 -5.490 7.330 46 1HE LYS 9 1HE LYS 9 4.430 -7.345 7.704 47 2HE LYS 9 2HE LYS 9 4.663 -5.848 8.586 48 1HZ LYS 9 1HZ LYS 9 3.331 -7.714 9.656 49 2HZ LYS 9 2HZ LYS 9 2.754 -6.192 9.788 50 3HZ LYS 9 3HZ LYS 9 2.093 -7.224 8.710 51 H VAL 10 H VAL 10 2.834 -3.433 2.617 52 HA VAL 10 HA VAL 10 5.006 -3.464 0.645 53 HB VAL 10 HB VAL 10 3.477 -1.933 -0.705 54 1HG1 VAL 10 1HG1 VAL 10 3.804 -4.744 -0.652 55 2HG1 VAL 10 2HG1 VAL 10 2.080 -4.440 -0.977 56 3HG1 VAL 10 3HG1 VAL 10 3.324 -3.722 -2.028 57 1HG2 VAL 10 1HG2 VAL 10 1.120 -3.325 0.442 58 2HG2 VAL 10 2HG2 VAL 10 1.822 -2.027 1.437 59 3HG2 VAL 10 3HG2 VAL 10 1.276 -1.681 -0.222 60 H LYS 11 H LYS 11 5.940 -1.315 0.230 61 HA LYS 11 HA LYS 11 5.425 0.512 2.473 62 1HB LYS 11 1HB LYS 11 7.507 -0.271 3.039 63 2HB LYS 11 2HB LYS 11 7.975 -0.592 1.381 64 1HG LYS 11 1HG LYS 11 8.209 1.835 0.940 65 2HG LYS 11 2HG LYS 11 7.636 2.210 2.552 66 1HD LYS 11 1HD LYS 11 9.965 0.327 2.389 67 2HD LYS 11 2HD LYS 11 10.282 1.984 1.916 68 1HE LYS 11 1HE LYS 11 9.989 2.804 4.057 69 2HE LYS 11 2HE LYS 11 8.696 1.682 4.428 70 1HZ LYS 11 1HZ LYS 11 10.258 -0.019 4.801 71 2HZ LYS 11 2HZ LYS 11 11.501 0.853 4.201 72 3HZ LYS 11 3HZ LYS 11 10.809 1.285 5.615 73 H THR 12 H THR 12 4.970 2.612 1.957 74 HA THR 12 HA THR 12 4.571 3.206 -0.822 75 HB THR 12 HB THR 12 3.586 5.279 0.122 76 HG1 THR 12 1HG THR 12 3.842 5.365 2.575 77 1HG2 THR 12 1HG2 THR 12 2.968 2.617 1.372 78 2HG2 THR 12 2HG2 THR 12 2.351 4.050 2.228 79 3HG2 THR 12 3HG2 THR 12 1.880 3.752 0.538 80 H ILE 13 H ILE 13 5.874 4.225 -2.221 81 HA ILE 13 HA ILE 13 8.410 5.179 -1.141 82 HB ILE 13 HB ILE 13 9.104 5.141 -3.530 83 1HG1 ILE 13 1HG1 ILE 13 6.454 3.748 -4.005 84 2HG1 ILE 13 2HG1 ILE 13 6.797 5.402 -4.469 85 1HG2 ILE 13 1HG2 ILE 13 9.652 3.304 -2.051 86 2HG2 ILE 13 2HG2 ILE 13 8.066 2.552 -2.346 87 3HG2 ILE 13 3HG2 ILE 13 9.250 2.681 -3.669 88 1HD1 ILE 13 1HD1 ILE 13 8.135 2.867 -5.490 89 2HD1 ILE 13 2HD1 ILE 13 7.236 4.088 -6.422 90 3HD1 ILE 13 3HD1 ILE 13 8.838 4.480 -5.754 91 H PHE 14 H PHE 14 5.328 6.338 -1.913 92 HA PHE 14 HA PHE 14 6.395 9.034 -2.046 93 1HB PHE 14 1HB PHE 14 4.318 7.830 -3.974 94 2HB PHE 14 2HB PHE 14 4.850 9.500 -3.991 95 HD1 PHE 14 1HD PHE 14 5.059 6.788 -5.890 96 HD2 PHE 14 2HD PHE 14 7.719 9.372 -3.828 97 HE1 PHE 14 1HE PHE 14 6.889 6.188 -7.500 98 HE2 PHE 14 2HE PHE 14 9.550 8.772 -5.437 99 HZ PHE 14 HZ PHE 14 9.113 7.187 -7.254 100 HA PRO 15 HA PRO 15 2.963 9.699 0.517 101 1HB PRO 15 1HB PRO 15 2.795 12.425 0.444 102 2HB PRO 15 2HB PRO 15 3.938 11.563 1.454 103 1HG PRO 15 1HG PRO 15 4.432 13.035 -1.061 104 2HG PRO 15 2HG PRO 15 5.582 12.541 0.166 105 1HD PRO 15 1HD PRO 15 5.158 11.302 -2.386 106 2HD PRO 15 2HD PRO 15 6.223 10.741 -1.112 107 H HIS 16 H HIS 16 0.721 10.065 0.648 108 HA HIS 16 HA HIS 16 -0.534 11.301 -1.572 109 1HB HIS 16 1HB HIS 16 0.056 9.171 -2.631 110 2HB HIS 16 2HB HIS 16 -0.733 8.285 -1.342 111 HD1 HIS 16 1HD HIS 16 -3.204 7.818 -1.601 112 HD2 HIS 16 2HD HIS 16 -1.822 10.749 -4.265 113 HE1 HIS 16 1HE HIS 16 -5.137 8.304 -3.196 114 H THR 17 H THR 17 -1.306 12.535 0.272 115 HA THR 17 HA THR 17 -2.917 11.121 2.220 116 HB THR 17 HB THR 17 -2.094 14.032 1.766 117 HG1 THR 17 1HG THR 17 -1.632 11.994 3.828 118 1HG2 THR 17 1HG2 THR 17 -4.229 14.142 2.951 119 2HG2 THR 17 2HG2 THR 17 -3.790 12.747 3.966 120 3HG2 THR 17 3HG2 THR 17 -2.942 14.298 4.170 121 H ALA 18 H ALA 18 -5.142 11.232 2.481 122 HA ALA 18 HA ALA 18 -6.578 11.578 0.049 123 1HB ALA 18 1HB ALA 18 -7.556 9.916 1.278 124 2HB ALA 18 2HB ALA 18 -7.082 10.640 2.833 125 3HB ALA 18 3HB ALA 18 -8.491 11.273 1.949 126 H GLY 19 H GLY 19 -6.630 13.246 3.281 127 1HA GLY 19 1HA GLY 19 -6.692 15.568 3.519 128 2HA GLY 19 2HA GLY 19 -7.321 15.735 1.892 129 H ASN 20 H ASN 20 -9.520 14.163 1.700 130 HA ASN 20 HA ASN 20 -11.110 14.735 4.057 131 1HB ASN 20 1HB ASN 20 -11.257 16.286 1.707 132 2HB ASN 20 2HB ASN 20 -12.582 15.154 1.520 133 1HD2 ASN 20 1HD2 ASN 20 -14.373 15.322 2.732 134 2HD2 ASN 20 2HD2 ASN 20 -14.670 16.548 3.919 135 H ASN 21 H ASN 21 -11.059 13.368 0.678 136 HA ASN 21 HA ASN 21 -13.101 11.713 0.687 137 1HB ASN 21 1HB ASN 21 -10.871 11.978 -0.877 138 2HB ASN 21 2HB ASN 21 -10.506 10.429 -0.144 139 1HD2 ASN 21 1HD2 ASN 21 -10.977 10.807 -2.863 140 2HD2 ASN 21 2HD2 ASN 21 -12.420 9.972 -3.334 141 H LYS 22 H LYS 22 -13.670 9.661 1.607 142 HA LYS 22 HA LYS 22 -11.876 8.766 3.743 143 1HB LYS 22 1HB LYS 22 -13.980 7.635 4.595 144 2HB LYS 22 2HB LYS 22 -13.949 9.385 4.668 145 1HG LYS 22 1HG LYS 22 -15.018 8.323 2.108 146 2HG LYS 22 2HG LYS 22 -15.967 7.862 3.507 147 1HD LYS 22 1HD LYS 22 -15.095 10.743 3.024 148 2HD LYS 22 2HD LYS 22 -16.585 10.099 2.362 149 1HE LYS 22 1HE LYS 22 -17.015 9.314 4.878 150 2HE LYS 22 2HE LYS 22 -15.846 10.562 5.260 151 1HZ LYS 22 1HZ LYS 22 -18.482 10.837 4.092 152 2HZ LYS 22 2HZ LYS 22 -17.751 11.750 5.231 153 3HZ LYS 22 3HZ LYS 22 -17.348 11.929 3.659 154 H THR 23 H THR 23 -11.815 8.220 0.695 155 HA THR 23 HA THR 23 -12.101 5.294 0.854 156 HB THR 23 HB THR 23 -12.299 5.435 -1.617 157 HG1 THR 23 1HG THR 23 -12.305 7.758 -2.408 158 1HG2 THR 23 1HG2 THR 23 -14.152 6.717 0.204 159 2HG2 THR 23 2HG2 THR 23 -14.061 7.692 -1.283 160 3HG2 THR 23 3HG2 THR 23 -14.505 5.970 -1.373 161 H LEU 24 H LEU 24 -9.948 7.916 -0.419 162 HA LEU 24 HA LEU 24 -7.838 6.063 -0.878 163 1HB LEU 24 1HB LEU 24 -7.623 9.061 -0.683 164 2HB LEU 24 2HB LEU 24 -6.574 7.954 -1.546 165 HG LEU 24 HG LEU 24 -9.478 8.246 -2.303 166 1HD1 LEU 24 1HD1 LEU 24 -7.534 9.786 -3.899 167 2HD1 LEU 24 2HD1 LEU 24 -9.197 10.184 -3.401 168 3HD1 LEU 24 3HD1 LEU 24 -7.847 10.424 -2.266 169 1HD2 LEU 24 1HD2 LEU 24 -8.592 6.386 -3.373 170 2HD2 LEU 24 2HD2 LEU 24 -8.395 7.676 -4.584 171 3HD2 LEU 24 3HD2 LEU 24 -7.001 7.148 -3.610 172 H LEU 25 H LEU 25 -6.225 5.389 0.467 173 HA LEU 25 HA LEU 25 -6.505 5.975 3.233 174 1HB LEU 25 1HB LEU 25 -5.749 3.812 2.032 175 2HB LEU 25 2HB LEU 25 -4.170 4.571 1.969 176 HG LEU 25 HG LEU 25 -4.243 4.808 4.466 177 1HD1 LEU 25 1HD1 LEU 25 -6.055 4.360 5.668 178 2HD1 LEU 25 2HD1 LEU 25 -6.949 4.167 4.141 179 3HD1 LEU 25 3HD1 LEU 25 -6.221 2.748 4.932 180 1HD2 LEU 25 1HD2 LEU 25 -4.219 2.166 3.052 181 2HD2 LEU 25 2HD2 LEU 25 -2.887 3.072 3.808 182 3HD2 LEU 25 3HD2 LEU 25 -4.071 2.216 4.825 183 H SER 26 H SER 26 -5.293 7.307 4.564 184 HA SER 26 HA SER 26 -3.544 9.113 3.103 185 1HB SER 26 1HB SER 26 -3.924 10.688 4.986 186 2HB SER 26 2HB SER 26 -5.430 10.202 4.232 187 HG SER 26 HG SER 26 -4.508 8.648 6.438 188 H PHE 27 H PHE 27 -1.359 8.882 3.408 189 HA PHE 27 HA PHE 27 -0.362 8.233 6.020 190 1HB PHE 27 1HB PHE 27 0.883 6.222 5.107 191 2HB PHE 27 2HB PHE 27 -0.853 5.987 5.048 192 HD1 PHE 27 1HD PHE 27 -1.813 5.265 3.072 193 HD2 PHE 27 2HD PHE 27 1.949 7.221 2.914 194 HE1 PHE 27 1HE PHE 27 -1.664 4.779 0.614 195 HE2 PHE 27 2HE PHE 27 2.098 6.735 0.456 196 HZ PHE 27 HZ PHE 27 0.290 5.520 -0.665 197 H ALA 28 H ALA 28 2.209 7.959 5.789 198 HA ALA 28 HA ALA 28 3.044 10.037 3.883 199 1HB ALA 28 1HB ALA 28 4.533 10.852 5.506 200 2HB ALA 28 2HB ALA 28 3.096 10.425 6.465 201 3HB ALA 28 3HB ALA 28 4.502 9.335 6.437 202 H GLN 29 H GLN 29 4.964 9.696 2.682 203 HA GLN 29 HA GLN 29 5.410 7.190 1.798 204 1HB GLN 29 1HB GLN 29 6.221 9.130 0.589 205 2HB GLN 29 2HB GLN 29 7.286 9.586 1.904 206 1HG GLN 29 1HG GLN 29 8.548 7.415 1.578 207 2HG GLN 29 2HG GLN 29 7.526 7.062 0.198 208 1HE2 GLN 29 1HE2 GLN 29 10.058 7.084 -0.354 209 2HE2 GLN 29 2HE2 GLN 29 10.586 8.510 -1.184 210 H GLY 30 H GLY 30 6.326 5.361 2.630 211 1HA GLY 30 1HA GLY 30 8.346 4.445 3.645 212 2HA GLY 30 2HA GLY 30 8.240 5.701 4.862 213 H ASP 31 H ASP 31 5.234 5.558 5.017 214 HA ASP 31 HA ASP 31 5.009 3.890 7.133 215 1HB ASP 31 1HB ASP 31 2.972 4.897 5.113 216 2HB ASP 31 2HB ASP 31 2.470 3.897 6.462 217 H VAL 32 H VAL 32 3.856 1.759 7.360 218 HA VAL 32 HA VAL 32 4.134 0.146 4.920 219 HB VAL 32 HB VAL 32 4.506 -0.491 7.845 220 1HG1 VAL 32 1HG1 VAL 32 3.491 -2.460 7.307 221 2HG1 VAL 32 2HG1 VAL 32 3.842 -2.299 5.569 222 3HG1 VAL 32 3HG1 VAL 32 5.117 -2.835 6.689 223 1HG2 VAL 32 1HG2 VAL 32 6.465 -1.245 5.723 224 2HG2 VAL 32 2HG2 VAL 32 6.322 0.481 6.134 225 3HG2 VAL 32 3HG2 VAL 32 6.735 -0.703 7.397 226 H LEU 33 H LEU 33 2.372 -0.984 4.167 227 HA LEU 33 HA LEU 33 -0.030 -0.847 5.852 228 1HB LEU 33 1HB LEU 33 -0.181 -0.804 2.865 229 2HB LEU 33 2HB LEU 33 -1.358 -0.274 4.051 230 HG LEU 33 HG LEU 33 1.254 1.189 3.839 231 1HD1 LEU 33 1HD1 LEU 33 -0.527 2.606 2.217 232 2HD1 LEU 33 2HD1 LEU 33 0.932 1.722 1.707 233 3HD1 LEU 33 3HD1 LEU 33 -0.654 0.915 1.674 234 1HD2 LEU 33 1HD2 LEU 33 -0.057 1.912 5.648 235 2HD2 LEU 33 2HD2 LEU 33 -0.333 3.119 4.369 236 3HD2 LEU 33 3HD2 LEU 33 -1.559 1.869 4.694 237 H THR 34 H THR 34 -1.241 -2.724 6.044 238 HA THR 34 HA THR 34 0.064 -5.108 4.970 239 HB THR 34 HB THR 34 -2.057 -4.653 7.135 240 HG1 THR 34 1HG THR 34 0.045 -3.973 7.783 241 1HG2 THR 34 1HG2 THR 34 -2.280 -6.922 7.286 242 2HG2 THR 34 2HG2 THR 34 -1.388 -7.064 5.753 243 3HG2 THR 34 3HG2 THR 34 -0.511 -7.123 7.301 244 H LEU 35 H LEU 35 -0.668 -6.181 3.251 245 HA LEU 35 HA LEU 35 -2.988 -5.249 1.919 246 1HB LEU 35 1HB LEU 35 -1.081 -7.538 1.486 247 2HB LEU 35 2HB LEU 35 -2.489 -7.300 0.471 248 HG LEU 35 HG LEU 35 -1.119 -4.804 0.608 249 1HD1 LEU 35 1HD1 LEU 35 1.015 -5.363 0.928 250 2HD1 LEU 35 2HD1 LEU 35 0.683 -7.100 0.726 251 3HD1 LEU 35 3HD1 LEU 35 0.957 -6.075 -0.703 252 1HD2 LEU 35 1HD2 LEU 35 -1.714 -6.852 -1.511 253 2HD2 LEU 35 2HD2 LEU 35 -2.388 -5.220 -1.286 254 3HD2 LEU 35 3HD2 LEU 35 -0.722 -5.421 -1.880 255 H LEU 36 H LEU 36 -4.961 -6.427 1.477 256 HA LEU 36 HA LEU 36 -5.518 -8.467 3.517 257 1HB LEU 36 1HB LEU 36 -7.405 -6.324 2.531 258 2HB LEU 36 2HB LEU 36 -7.772 -7.575 3.701 259 HG LEU 36 HG LEU 36 -5.756 -5.343 4.074 260 1HD1 LEU 36 1HD1 LEU 36 -7.317 -4.375 5.631 261 2HD1 LEU 36 2HD1 LEU 36 -8.130 -4.612 4.065 262 3HD1 LEU 36 3HD1 LEU 36 -8.446 -5.733 5.411 263 1HD2 LEU 36 1HD2 LEU 36 -4.878 -6.505 5.743 264 2HD2 LEU 36 2HD2 LEU 36 -6.472 -6.594 6.529 265 3HD2 LEU 36 3HD2 LEU 36 -5.970 -7.864 5.387 266 H ILE 37 H ILE 37 -6.275 -7.113 0.258 267 HA ILE 37 HA ILE 37 -7.390 -9.727 -0.447 268 HB ILE 37 HB ILE 37 -8.366 -8.567 -2.363 269 1HG1 ILE 37 1HG1 ILE 37 -7.820 -5.855 -1.345 270 2HG1 ILE 37 2HG1 ILE 37 -6.413 -6.672 -1.996 271 1HG2 ILE 37 1HG2 ILE 37 -9.035 -8.189 0.407 272 2HG2 ILE 37 2HG2 ILE 37 -9.513 -6.753 -0.530 273 3HG2 ILE 37 3HG2 ILE 37 -10.106 -8.363 -1.004 274 1HD1 ILE 37 1HD1 ILE 37 -7.892 -7.279 -4.035 275 2HD1 ILE 37 2HD1 ILE 37 -9.046 -6.083 -3.397 276 3HD1 ILE 37 3HD1 ILE 37 -7.406 -5.575 -3.868 277 HA PRO 38 HA PRO 38 -3.785 -10.513 -2.708 278 1HB PRO 38 1HB PRO 38 -4.613 -12.708 -4.110 279 2HB PRO 38 2HB PRO 38 -4.047 -12.787 -2.453 280 1HG PRO 38 1HG PRO 38 -6.815 -12.964 -3.476 281 2HG PRO 38 2HG PRO 38 -6.188 -13.455 -1.915 282 1HD PRO 38 1HD PRO 38 -7.713 -11.093 -2.486 283 2HD PRO 38 2HD PRO 38 -6.987 -11.526 -0.951 284 H GLU 39 H GLU 39 -6.698 -9.541 -4.068 285 HA GLU 39 HA GLU 39 -5.448 -9.358 -6.678 286 1HB GLU 39 1HB GLU 39 -8.058 -9.994 -5.859 287 2HB GLU 39 2HB GLU 39 -8.207 -8.357 -6.466 288 1HG GLU 39 1HG GLU 39 -8.545 -9.787 -8.366 289 2HG GLU 39 2HG GLU 39 -6.939 -9.115 -8.559 290 H GLU 40 H GLU 40 -6.348 -7.167 -7.881 291 HA GLU 40 HA GLU 40 -5.950 -4.987 -5.994 292 1HB GLU 40 1HB GLU 40 -4.589 -3.855 -7.877 293 2HB GLU 40 2HB GLU 40 -3.799 -5.133 -6.975 294 1HG GLU 40 1HG GLU 40 -5.305 -6.194 -9.274 295 2HG GLU 40 2HG GLU 40 -4.113 -5.009 -9.771 296 H LYS 41 H LYS 41 -7.116 -3.060 -6.474 297 HA LYS 41 HA LYS 41 -9.380 -3.487 -8.170 298 1HB LYS 41 1HB LYS 41 -9.552 -2.376 -5.976 299 2HB LYS 41 2HB LYS 41 -8.529 -1.072 -6.544 300 1HG LYS 41 1HG LYS 41 -10.287 -0.852 -8.497 301 2HG LYS 41 2HG LYS 41 -11.333 -1.796 -7.455 302 1HD LYS 41 1HD LYS 41 -11.856 0.080 -6.299 303 2HD LYS 41 2HD LYS 41 -10.185 0.219 -5.788 304 1HE LYS 41 1HE LYS 41 -9.924 1.222 -8.301 305 2HE LYS 41 2HE LYS 41 -11.610 1.620 -8.036 306 1HZ LYS 41 1HZ LYS 41 -10.992 2.761 -6.038 307 2HZ LYS 41 2HZ LYS 41 -9.425 2.333 -6.204 308 3HZ LYS 41 3HZ LYS 41 -10.112 3.350 -7.282 309 H ASP 42 H ASP 42 -7.761 -3.861 -10.066 310 HA ASP 42 HA ASP 42 -7.020 -3.207 -11.994 311 1HB ASP 42 1HB ASP 42 -8.714 -0.776 -11.315 312 2HB ASP 42 2HB ASP 42 -7.797 -0.831 -12.808 313 H GLY 43 H GLY 43 -4.940 -3.121 -10.490 314 1HA GLY 43 1HA GLY 43 -2.863 -2.097 -10.595 315 2HA GLY 43 2HA GLY 43 -3.615 -0.565 -10.994 316 H TRP 44 H TRP 44 -5.601 -0.394 -8.941 317 HA TRP 44 HA TRP 44 -3.964 0.511 -6.803 318 1HB TRP 44 1HB TRP 44 -6.948 0.347 -7.215 319 2HB TRP 44 2HB TRP 44 -6.226 0.959 -5.741 320 HD1 TRP 44 HD TRP 44 -5.871 1.773 -9.560 321 HE1 TRP 44 1HE TRP 44 -5.633 4.376 -9.924 322 HE3 TRP 44 3HE TRP 44 -5.960 3.001 -4.627 323 HZ2 TRP 44 2HZ TRP 44 -5.511 6.606 -8.148 324 HZ3 TRP 44 3HZ TRP 44 -5.775 5.414 -4.027 325 HH2 TRP 44 HH TRP 44 -5.557 7.188 -5.694 326 H LEU 45 H LEU 45 -3.824 -0.358 -4.660 327 HA LEU 45 HA LEU 45 -4.866 -3.091 -4.409 328 1HB LEU 45 1HB LEU 45 -2.104 -2.054 -4.119 329 2HB LEU 45 2HB LEU 45 -2.638 -3.200 -2.906 330 HG LEU 45 HG LEU 45 -2.794 -3.733 -5.882 331 1HD1 LEU 45 1HD1 LEU 45 -0.445 -3.333 -4.975 332 2HD1 LEU 45 2HD1 LEU 45 -0.674 -4.824 -4.030 333 3HD1 LEU 45 3HD1 LEU 45 -0.742 -4.877 -5.808 334 1HD2 LEU 45 1HD2 LEU 45 -2.718 -6.160 -4.811 335 2HD2 LEU 45 2HD2 LEU 45 -3.425 -5.300 -3.422 336 3HD2 LEU 45 3HD2 LEU 45 -4.241 -5.259 -5.003 337 H TYR 46 H TYR 46 -5.447 -3.741 -2.246 338 HA TYR 46 HA TYR 46 -6.018 -1.410 -0.555 339 1HB TYR 46 1HB TYR 46 -7.729 -3.194 -1.641 340 2HB TYR 46 2HB TYR 46 -7.165 -4.240 -0.353 341 HD1 TYR 46 1HD TYR 46 -8.289 -0.662 -0.666 342 HD2 TYR 46 2HD TYR 46 -8.553 -4.347 1.492 343 HE1 TYR 46 1HE TYR 46 -9.972 0.383 0.928 344 HE2 TYR 46 2HE TYR 46 -10.235 -3.290 3.078 345 HH TYR 46 HH TYR 46 -11.363 -1.527 3.587 346 H GLY 47 H GLY 47 -5.921 -1.743 1.823 347 1HA GLY 47 1HA GLY 47 -4.664 -3.978 2.981 348 2HA GLY 47 2HA GLY 47 -3.448 -2.764 2.638 349 H GLU 48 H GLU 48 -3.418 -2.982 5.166 350 HA GLU 48 HA GLU 48 -5.362 -1.069 6.204 351 1HB GLU 48 1HB GLU 48 -5.672 -3.306 7.189 352 2HB GLU 48 2HB GLU 48 -3.980 -3.379 7.638 353 1HG GLU 48 1HG GLU 48 -4.378 -1.241 9.023 354 2HG GLU 48 2HG GLU 48 -6.091 -1.467 8.729 355 H HIS 49 H HIS 49 -4.585 0.655 7.504 356 HA HIS 49 HA HIS 49 -1.803 1.224 7.087 357 1HB HIS 49 1HB HIS 49 -3.751 2.858 6.843 358 2HB HIS 49 2HB HIS 49 -3.825 2.892 8.593 359 HD1 HIS 49 1HD HIS 49 -0.853 3.050 9.351 360 HD2 HIS 49 2HD HIS 49 -2.566 5.239 6.210 361 HE1 HIS 49 1HE HIS 49 0.670 5.060 8.967 362 H ASP 50 H ASP 50 -0.170 1.221 8.620 363 HA ASP 50 HA ASP 50 -0.824 -0.183 11.029 364 1HB ASP 50 1HB ASP 50 1.277 -0.458 9.454 365 2HB ASP 50 2HB ASP 50 1.906 0.936 10.309 366 H THR 51 H THR 51 -2.060 2.338 11.033 367 HA THR 51 HA THR 51 -0.802 3.584 13.291 368 HB THR 51 HB THR 51 -1.037 5.073 10.622 369 HG1 THR 51 1HG THR 51 1.181 4.390 12.420 370 1HG2 THR 51 1HG2 THR 51 -1.474 6.509 12.684 371 2HG2 THR 51 2HG2 THR 51 0.110 5.991 13.310 372 3HG2 THR 51 3HG2 THR 51 0.014 6.948 11.812 373 H THR 52 H THR 52 -3.120 4.616 10.699 374 HA THR 52 HA THR 52 -4.970 5.550 12.637 375 HB THR 52 HB THR 52 -6.354 5.958 10.610 376 HG1 THR 52 1HG THR 52 -5.704 4.875 8.686 377 1HG2 THR 52 1HG2 THR 52 -4.915 7.449 9.485 378 2HG2 THR 52 2HG2 THR 52 -4.046 7.255 11.026 379 3HG2 THR 52 3HG2 THR 52 -3.527 6.339 9.590 380 H LYS 53 H LYS 53 -4.308 2.413 11.222 381 HA LYS 53 HA LYS 53 -5.136 0.429 11.786 382 1HB LYS 53 1HB LYS 53 -7.224 1.767 13.519 383 2HB LYS 53 2HB LYS 53 -6.648 0.115 13.608 384 1HG LYS 53 1HG LYS 53 -4.807 2.513 14.013 385 2HG LYS 53 2HG LYS 53 -5.674 1.760 15.337 386 1HD LYS 53 1HD LYS 53 -4.324 -0.269 13.714 387 2HD LYS 53 2HD LYS 53 -3.182 0.950 14.242 388 1HE LYS 53 1HE LYS 53 -3.615 0.545 16.550 389 2HE LYS 53 2HE LYS 53 -5.152 -0.232 16.226 390 1HZ LYS 53 1HZ LYS 53 -3.852 -2.027 16.530 391 2HZ LYS 53 2HZ LYS 53 -3.591 -1.856 14.927 392 3HZ LYS 53 3HZ LYS 53 -2.482 -1.315 15.998 393 H ALA 54 H ALA 54 -6.542 2.880 10.056 394 HA ALA 54 HA ALA 54 -8.908 1.331 9.330 395 1HB ALA 54 1HB ALA 54 -9.000 3.814 9.878 396 2HB ALA 54 2HB ALA 54 -8.065 4.096 8.390 397 3HB ALA 54 3HB ALA 54 -9.681 3.356 8.299 398 H ARG 55 H ARG 55 -9.377 1.091 6.947 399 HA ARG 55 HA ARG 55 -6.855 0.705 5.543 400 1HB ARG 55 1HB ARG 55 -9.442 -0.922 5.356 401 2HB ARG 55 2HB ARG 55 -8.056 -1.167 4.311 402 1HG ARG 55 1HG ARG 55 -7.009 -2.419 5.887 403 2HG ARG 55 2HG ARG 55 -7.158 -1.139 7.074 404 1HD ARG 55 1HD ARG 55 -9.774 -2.314 6.712 405 2HD ARG 55 2HD ARG 55 -8.626 -3.619 6.935 406 HE ARG 55 HE ARG 55 -8.252 -1.430 8.843 407 1HH1 ARG 55 2HH2 ARG 55 -10.007 -4.409 8.191 408 2HH1 ARG 55 1HH2 ARG 55 -10.344 -4.726 9.860 409 1HH2 ARG 55 2HH1 ARG 55 -8.696 -1.848 11.046 410 2HH2 ARG 55 1HH1 ARG 55 -9.593 -3.260 11.495 411 H GLY 56 H GLY 56 -6.725 1.494 3.398 412 1HA GLY 56 1HA GLY 56 -9.189 2.682 2.283 413 2HA GLY 56 2HA GLY 56 -7.698 3.598 2.381 414 H TRP 57 H TRP 57 -8.171 3.665 -0.072 415 HA TRP 57 HA TRP 57 -7.101 1.235 -1.334 416 1HB TRP 57 1HB TRP 57 -9.018 3.337 -2.328 417 2HB TRP 57 2HB TRP 57 -8.165 2.262 -3.417 418 HD1 TRP 57 HD TRP 57 -11.148 2.327 -1.086 419 HE1 TRP 57 1HE TRP 57 -12.472 0.045 -1.094 420 HE3 TRP 57 3HE TRP 57 -7.641 -0.303 -3.662 421 HZ2 TRP 57 2HZ TRP 57 -11.916 -2.547 -2.153 422 HZ3 TRP 57 3HZ TRP 57 -8.109 -2.704 -4.141 423 HH2 TRP 57 HH TRP 57 -10.160 -3.828 -3.432 424 H PHE 58 H PHE 58 -5.196 1.428 -2.514 425 HA PHE 58 HA PHE 58 -4.232 4.119 -3.068 426 1HB PHE 58 1HB PHE 58 -1.988 3.359 -2.099 427 2HB PHE 58 2HB PHE 58 -3.246 3.498 -0.887 428 HD1 PHE 58 1HD PHE 58 -1.227 1.139 -2.850 429 HD2 PHE 58 2HD PHE 58 -4.088 1.557 0.256 430 HE1 PHE 58 1HE PHE 58 -0.820 -1.238 -2.155 431 HE2 PHE 58 2HE PHE 58 -3.681 -0.820 0.951 432 HZ PHE 58 HZ PHE 58 -2.052 -2.189 -0.262 433 HA PRO 59 HA PRO 59 -2.853 2.165 -6.679 434 1HB PRO 59 1HB PRO 59 -0.953 3.923 -7.555 435 2HB PRO 59 2HB PRO 59 -2.671 4.175 -7.788 436 1HG PRO 59 1HG PRO 59 -0.847 5.497 -5.874 437 2HG PRO 59 2HG PRO 59 -2.432 6.014 -6.416 438 1HD PRO 59 1HD PRO 59 -1.791 4.800 -3.897 439 2HD PRO 59 2HD PRO 59 -3.389 5.210 -4.486 440 H SER 60 H SER 60 -1.814 0.300 -6.925 441 HA SER 60 HA SER 60 0.109 -0.492 -5.211 442 1HB SER 60 1HB SER 60 0.603 -2.280 -6.795 443 2HB SER 60 2HB SER 60 -1.119 -1.956 -6.819 444 HG SER 60 HG SER 60 0.801 -1.612 -8.837 445 H SER 61 H SER 61 0.375 1.728 -7.916 446 HA SER 61 HA SER 61 3.118 1.372 -8.379 447 1HB SER 61 1HB SER 61 1.006 2.826 -9.537 448 2HB SER 61 2HB SER 61 2.098 4.068 -8.959 449 HG SER 61 HG SER 61 3.824 3.082 -10.156 450 H TYR 62 H TYR 62 1.160 3.276 -6.095 451 HA TYR 62 HA TYR 62 3.409 4.891 -5.275 452 1HB TYR 62 1HB TYR 62 0.451 4.502 -4.733 453 2HB TYR 62 2HB TYR 62 1.375 5.213 -3.425 454 HD1 TYR 62 1HD TYR 62 0.851 7.477 -3.331 455 HD2 TYR 62 2HD TYR 62 1.603 5.685 -7.142 456 HE1 TYR 62 1HE TYR 62 0.668 9.755 -4.446 457 HE2 TYR 62 2HE TYR 62 1.419 7.969 -8.244 458 HH TYR 62 HH TYR 62 1.657 10.269 -7.665 459 H THR 63 H THR 63 3.013 1.720 -4.945 460 HA THR 63 HA THR 63 4.219 1.717 -2.294 461 HB THR 63 HB THR 63 2.638 -0.209 -1.675 462 HG1 THR 63 1HG THR 63 1.362 0.992 -4.032 463 1HG2 THR 63 1HG2 THR 63 1.226 2.428 -2.338 464 2HG2 THR 63 2HG2 THR 63 0.692 1.214 -1.151 465 3HG2 THR 63 3HG2 THR 63 2.179 2.149 -0.861 466 H LYS 64 H LYS 64 5.491 -0.174 -1.849 467 HA LYS 64 HA LYS 64 5.971 -1.818 -4.226 468 1HB LYS 64 1HB LYS 64 8.149 -0.573 -2.523 469 2HB LYS 64 2HB LYS 64 8.378 -1.632 -3.899 470 1HG LYS 64 1HG LYS 64 6.686 0.383 -4.897 471 2HG LYS 64 2HG LYS 64 7.781 1.254 -3.842 472 1HD LYS 64 1HD LYS 64 9.541 0.979 -5.264 473 2HD LYS 64 2HD LYS 64 9.221 -0.733 -5.459 474 1HE LYS 64 1HE LYS 64 7.385 -0.188 -7.090 475 2HE LYS 64 2HE LYS 64 7.747 1.517 -6.913 476 1HZ LYS 64 1HZ LYS 64 10.064 0.887 -7.596 477 2HZ LYS 64 2HZ LYS 64 9.465 -0.564 -8.047 478 3HZ LYS 64 3HZ LYS 64 8.924 0.801 -8.763 479 H LEU 65 H LEU 65 6.994 -3.923 -3.712 480 HA LEU 65 HA LEU 65 5.821 -4.979 -1.327 481 1HB LEU 65 1HB LEU 65 7.332 -6.098 -3.665 482 2HB LEU 65 2HB LEU 65 7.062 -7.078 -2.238 483 HG LEU 65 HG LEU 65 4.644 -5.748 -3.306 484 1HD1 LEU 65 1HD1 LEU 65 4.354 -7.158 -5.212 485 2HD1 LEU 65 2HD1 LEU 65 5.924 -6.336 -5.378 486 3HD1 LEU 65 3HD1 LEU 65 5.861 -8.039 -4.866 487 1HD2 LEU 65 1HD2 LEU 65 3.673 -7.333 -2.098 488 2HD2 LEU 65 2HD2 LEU 65 4.493 -8.609 -3.030 489 3HD2 LEU 65 3HD2 LEU 65 5.286 -7.900 -1.602 490 H LEU 66 H LEU 66 6.780 -5.429 0.612 491 HA LEU 66 HA LEU 66 9.202 -4.201 1.230 492 1HB LEU 66 1HB LEU 66 7.652 -6.355 2.673 493 2HB LEU 66 2HB LEU 66 9.002 -5.471 3.356 494 HG LEU 66 HG LEU 66 6.199 -4.604 2.869 495 1HD1 LEU 66 1HD1 LEU 66 8.225 -4.524 5.038 496 2HD1 LEU 66 2HD1 LEU 66 7.063 -3.178 4.972 497 3HD1 LEU 66 3HD1 LEU 66 6.477 -4.853 5.101 498 1HD2 LEU 66 1HD2 LEU 66 8.575 -2.781 2.495 499 2HD2 LEU 66 2HD2 LEU 66 7.158 -3.004 1.441 500 3HD2 LEU 66 3HD2 LEU 66 6.981 -2.179 3.007 501 H SER 67 H SER 67 11.112 -5.472 2.275 502 HA SER 67 HA SER 67 11.615 -7.858 0.690 503 1HB SER 67 1HB SER 67 13.240 -5.329 0.829 504 2HB SER 67 2HB SER 67 14.110 -6.847 0.733 505 HG SER 67 HG SER 67 12.325 -7.177 -1.122 506 H GLY 68 H GLY 68 11.121 -9.056 2.662 507 1HA GLY 68 1HA GLY 68 12.976 -8.600 4.904 508 2HA GLY 68 2HA GLY 68 11.446 -9.452 4.971 509 HA PRO 69 HA PRO 69 14.852 -12.478 4.347 510 1HB PRO 69 1HB PRO 69 14.840 -13.696 6.793 511 2HB PRO 69 2HB PRO 69 15.959 -12.417 6.365 512 1HG PRO 69 1HG PRO 69 13.571 -12.285 8.101 513 2HG PRO 69 2HG PRO 69 14.916 -11.167 7.998 514 1HD PRO 69 1HD PRO 69 12.295 -10.805 6.891 515 2HD PRO 69 2HD PRO 69 13.674 -9.742 6.690 516 H SER 70 H SER 70 11.832 -12.876 6.087 517 HA SER 70 HA SER 70 10.256 -14.358 5.922 518 1HB SER 70 1HB SER 70 11.318 -14.968 3.129 519 2HB SER 70 2HB SER 70 9.697 -15.283 3.715 520 HG SER 70 HG SER 70 9.503 -13.357 2.627 521 H SER 71 H SER 71 11.072 -15.790 7.549 522 HA SER 71 HA SER 71 11.992 -17.574 8.403 523 1HB SER 71 1HB SER 71 10.974 -18.747 5.781 524 2HB SER 71 2HB SER 71 11.555 -19.736 7.106 525 HG SER 71 HG SER 71 9.306 -19.564 7.327 526 H GLY 72 H GLY 72 14.214 -16.858 8.417 527 1HA GLY 72 1HA GLY 72 16.373 -16.739 7.720 528 2HA GLY 72 2HA GLY 72 16.153 -18.468 7.537 Start of MODEL 6 1 1H GLY 1 H GLY 1 8.072 -12.831 13.013 2 1HA GLY 1 1HA GLY 1 9.767 -14.575 13.530 3 2HA GLY 1 2HA GLY 1 8.608 -15.221 14.674 4 H SER 2 H SER 2 9.854 -15.737 11.664 5 HA SER 2 HA SER 2 9.271 -16.961 9.969 6 1HB SER 2 1HB SER 2 8.171 -18.342 11.906 7 2HB SER 2 2HB SER 2 6.650 -17.725 11.293 8 HG SER 2 HG SER 2 8.255 -18.703 9.246 9 H SER 3 H SER 3 9.023 -14.950 8.730 10 HA SER 3 HA SER 3 6.430 -13.798 8.573 11 1HB SER 3 1HB SER 3 7.468 -12.310 6.879 12 2HB SER 3 2HB SER 3 8.433 -12.397 8.339 13 HG SER 3 HG SER 3 8.945 -14.100 6.062 14 H GLY 4 H GLY 4 4.819 -14.928 7.531 15 1HA GLY 4 1HA GLY 4 4.875 -15.415 4.790 16 2HA GLY 4 2HA GLY 4 5.312 -16.916 5.582 17 H SER 5 H SER 5 2.755 -14.519 5.047 18 HA SER 5 HA SER 5 0.811 -16.492 5.612 19 1HB SER 5 1HB SER 5 1.581 -14.772 7.773 20 2HB SER 5 2HB SER 5 -0.005 -14.245 7.246 21 HG SER 5 HG SER 5 -0.263 -15.888 8.814 22 H SER 6 H SER 6 -1.492 -15.481 5.271 23 HA SER 6 HA SER 6 -1.374 -14.026 2.888 24 1HB SER 6 1HB SER 6 -3.349 -15.439 4.453 25 2HB SER 6 2HB SER 6 -4.009 -13.874 4.023 26 HG SER 6 HG SER 6 -3.309 -14.379 1.759 27 H GLY 7 H GLY 7 -1.231 -11.831 2.584 28 1HA GLY 7 1HA GLY 7 -2.303 -9.698 3.186 29 2HA GLY 7 2HA GLY 7 -1.990 -10.100 4.863 30 H GLN 8 H GLN 8 -0.009 -10.278 1.811 31 HA GLN 8 HA GLN 8 2.394 -9.859 2.903 32 1HB GLN 8 1HB GLN 8 1.175 -9.492 0.260 33 2HB GLN 8 2HB GLN 8 2.491 -8.363 0.516 34 1HG GLN 8 1HG GLN 8 3.294 -10.508 -0.473 35 2HG GLN 8 2HG GLN 8 4.029 -10.197 1.087 36 1HE2 GLN 8 1HE2 GLN 8 4.200 -11.914 2.288 37 2HE2 GLN 8 2HE2 GLN 8 3.090 -13.238 2.406 38 H LYS 9 H LYS 9 3.840 -7.771 2.589 39 HA LYS 9 HA LYS 9 2.278 -5.485 3.573 40 1HB LYS 9 1HB LYS 9 5.044 -6.401 4.411 41 2HB LYS 9 2HB LYS 9 4.312 -4.883 4.889 42 1HG LYS 9 1HG LYS 9 2.288 -6.633 5.538 43 2HG LYS 9 2HG LYS 9 3.684 -7.661 5.791 44 1HD LYS 9 1HD LYS 9 4.251 -5.052 6.918 45 2HD LYS 9 2HD LYS 9 2.686 -5.579 7.502 46 1HE LYS 9 1HE LYS 9 4.710 -7.743 7.522 47 2HE LYS 9 2HE LYS 9 5.158 -6.380 8.529 48 1HZ LYS 9 1HZ LYS 9 2.732 -8.008 8.702 49 2HZ LYS 9 2HZ LYS 9 3.861 -7.748 9.854 50 3HZ LYS 9 3HZ LYS 9 2.835 -6.550 9.432 51 H VAL 10 H VAL 10 2.801 -3.424 2.755 52 HA VAL 10 HA VAL 10 4.788 -3.435 0.597 53 HB VAL 10 HB VAL 10 3.194 -1.883 -0.607 54 1HG1 VAL 10 1HG1 VAL 10 1.599 -4.158 -0.921 55 2HG1 VAL 10 2HG1 VAL 10 3.072 -3.749 -1.834 56 3HG1 VAL 10 3HG1 VAL 10 3.178 -4.787 -0.392 57 1HG2 VAL 10 1HG2 VAL 10 0.944 -1.723 -0.025 58 2HG2 VAL 10 2HG2 VAL 10 1.004 -3.161 1.021 59 3HG2 VAL 10 3HG2 VAL 10 1.760 -1.641 1.554 60 H LYS 11 H LYS 11 5.725 -1.297 0.157 61 HA LYS 11 HA LYS 11 5.395 0.517 2.443 62 1HB LYS 11 1HB LYS 11 7.464 -0.452 2.886 63 2HB LYS 11 2HB LYS 11 7.892 -0.591 1.193 64 1HG LYS 11 1HG LYS 11 8.165 1.853 1.009 65 2HG LYS 11 2HG LYS 11 7.585 2.078 2.647 66 1HD LYS 11 1HD LYS 11 9.852 0.169 2.441 67 2HD LYS 11 2HD LYS 11 10.253 1.792 1.917 68 1HE LYS 11 1HE LYS 11 10.044 2.680 4.036 69 2HE LYS 11 2HE LYS 11 8.671 1.669 4.442 70 1HZ LYS 11 1HZ LYS 11 11.289 1.284 5.165 71 2HZ LYS 11 2HZ LYS 11 10.028 0.287 5.456 72 3HZ LYS 11 3HZ LYS 11 10.946 0.076 4.121 73 H THR 12 H THR 12 5.008 2.635 1.946 74 HA THR 12 HA THR 12 4.565 3.247 -0.831 75 HB THR 12 HB THR 12 3.635 5.337 0.143 76 HG1 THR 12 1HG THR 12 3.965 5.551 2.503 77 1HG2 THR 12 1HG2 THR 12 1.807 4.122 0.777 78 2HG2 THR 12 2HG2 THR 12 2.819 2.675 0.999 79 3HG2 THR 12 3HG2 THR 12 2.599 3.821 2.343 80 H ILE 13 H ILE 13 5.846 4.302 -2.230 81 HA ILE 13 HA ILE 13 8.405 5.220 -1.153 82 HB ILE 13 HB ILE 13 9.166 5.086 -3.486 83 1HG1 ILE 13 1HG1 ILE 13 6.409 3.954 -4.051 84 2HG1 ILE 13 2HG1 ILE 13 7.005 5.511 -4.591 85 1HG2 ILE 13 1HG2 ILE 13 8.650 2.457 -3.615 86 2HG2 ILE 13 2HG2 ILE 13 9.805 3.170 -2.464 87 3HG2 ILE 13 3HG2 ILE 13 8.155 2.764 -1.933 88 1HD1 ILE 13 1HD1 ILE 13 7.409 4.128 -6.457 89 2HD1 ILE 13 2HD1 ILE 13 8.989 4.136 -5.638 90 3HD1 ILE 13 3HD1 ILE 13 7.896 2.745 -5.447 91 H PHE 14 H PHE 14 5.336 6.376 -1.958 92 HA PHE 14 HA PHE 14 6.421 9.061 -2.171 93 1HB PHE 14 1HB PHE 14 4.305 7.825 -4.034 94 2HB PHE 14 2HB PHE 14 4.862 9.485 -4.110 95 HD1 PHE 14 1HD PHE 14 7.757 9.240 -3.919 96 HD2 PHE 14 2HD PHE 14 4.978 6.793 -5.990 97 HE1 PHE 14 1HE PHE 14 9.556 8.563 -5.533 98 HE2 PHE 14 2HE PHE 14 6.776 6.116 -7.605 99 HZ PHE 14 HZ PHE 14 9.044 7.009 -7.357 100 HA PRO 15 HA PRO 15 3.033 9.812 0.427 101 1HB PRO 15 1HB PRO 15 2.912 12.540 0.316 102 2HB PRO 15 2HB PRO 15 4.048 11.671 1.329 103 1HG PRO 15 1HG PRO 15 4.545 13.098 -1.212 104 2HG PRO 15 2HG PRO 15 5.697 12.601 0.011 105 1HD PRO 15 1HD PRO 15 5.227 11.334 -2.519 106 2HD PRO 15 2HD PRO 15 6.295 10.772 -1.247 107 H HIS 16 H HIS 16 0.799 10.449 0.614 108 HA HIS 16 HA HIS 16 -0.401 11.510 -1.733 109 1HB HIS 16 1HB HIS 16 -0.046 9.226 -2.516 110 2HB HIS 16 2HB HIS 16 -0.837 8.581 -1.091 111 HD1 HIS 16 1HD HIS 16 -3.252 8.023 -1.393 112 HD2 HIS 16 2HD HIS 16 -1.971 10.981 -4.078 113 HE1 HIS 16 1HE HIS 16 -5.241 8.519 -2.912 114 H THR 17 H THR 17 -1.344 13.062 -0.404 115 HA THR 17 HA THR 17 -2.546 12.403 2.076 116 HB THR 17 HB THR 17 -2.934 14.843 0.264 117 HG1 THR 17 1HG THR 17 -1.011 14.093 2.355 118 1HG2 THR 17 1HG2 THR 17 -2.764 15.761 2.828 119 2HG2 THR 17 2HG2 THR 17 -4.320 15.356 2.065 120 3HG2 THR 17 3HG2 THR 17 -3.522 14.181 3.138 121 H ALA 18 H ALA 18 -4.563 11.782 2.637 122 HA ALA 18 HA ALA 18 -6.615 11.885 0.560 123 1HB ALA 18 1HB ALA 18 -7.218 9.486 1.475 124 2HB ALA 18 2HB ALA 18 -5.968 9.673 0.222 125 3HB ALA 18 3HB ALA 18 -5.496 9.441 1.923 126 H GLY 19 H GLY 19 -5.696 13.135 3.321 127 1HA GLY 19 1HA GLY 19 -7.178 12.547 5.449 128 2HA GLY 19 2HA GLY 19 -6.939 14.195 4.905 129 H ASN 20 H ASN 20 -8.484 14.881 2.984 130 HA ASN 20 HA ASN 20 -11.028 14.847 3.955 131 1HB ASN 20 1HB ASN 20 -9.636 15.853 1.623 132 2HB ASN 20 2HB ASN 20 -11.135 15.132 1.074 133 1HD2 ASN 20 1HD2 ASN 20 -9.632 17.724 2.718 134 2HD2 ASN 20 2HD2 ASN 20 -11.036 18.658 3.115 135 H ASN 21 H ASN 21 -9.893 13.260 0.866 136 HA ASN 21 HA ASN 21 -12.019 11.825 0.249 137 1HB ASN 21 1HB ASN 21 -9.125 10.816 0.221 138 2HB ASN 21 2HB ASN 21 -10.426 10.096 -0.706 139 1HD2 ASN 21 1HD2 ASN 21 -7.852 11.685 -1.257 140 2HD2 ASN 21 2HD2 ASN 21 -8.306 12.857 -2.448 141 H LYS 22 H LYS 22 -12.939 9.750 0.848 142 HA LYS 22 HA LYS 22 -11.964 8.745 3.428 143 1HB LYS 22 1HB LYS 22 -14.644 9.308 2.347 144 2HB LYS 22 2HB LYS 22 -14.508 7.735 3.108 145 1HG LYS 22 1HG LYS 22 -14.395 8.650 5.187 146 2HG LYS 22 2HG LYS 22 -13.123 9.756 4.708 147 1HD LYS 22 1HD LYS 22 -15.030 11.114 3.523 148 2HD LYS 22 2HD LYS 22 -16.129 10.151 4.490 149 1HE LYS 22 1HE LYS 22 -13.799 11.586 5.808 150 2HE LYS 22 2HE LYS 22 -15.272 12.459 5.435 151 1HZ LYS 22 1HZ LYS 22 -15.640 11.649 7.530 152 2HZ LYS 22 2HZ LYS 22 -16.391 10.516 6.625 153 3HZ LYS 22 3HZ LYS 22 -14.916 10.211 7.256 154 H THR 23 H THR 23 -12.473 8.071 0.032 155 HA THR 23 HA THR 23 -12.315 5.197 0.438 156 HB THR 23 HB THR 23 -12.849 5.111 -1.916 157 HG1 THR 23 1HG THR 23 -11.802 6.648 -3.112 158 1HG2 THR 23 1HG2 THR 23 -14.453 6.672 -0.217 159 2HG2 THR 23 2HG2 THR 23 -14.188 7.730 -1.623 160 3HG2 THR 23 3HG2 THR 23 -14.910 6.118 -1.846 161 H LEU 24 H LEU 24 -10.160 7.827 0.300 162 HA LEU 24 HA LEU 24 -8.050 6.080 -0.753 163 1HB LEU 24 1HB LEU 24 -8.124 9.091 -0.511 164 2HB LEU 24 2HB LEU 24 -6.794 8.144 -1.148 165 HG LEU 24 HG LEU 24 -9.564 8.146 -2.368 166 1HD1 LEU 24 1HD1 LEU 24 -7.885 9.528 -4.096 167 2HD1 LEU 24 2HD1 LEU 24 -9.160 10.221 -3.066 168 3HD1 LEU 24 3HD1 LEU 24 -7.477 10.173 -2.487 169 1HD2 LEU 24 1HD2 LEU 24 -8.753 6.390 -3.473 170 2HD2 LEU 24 2HD2 LEU 24 -7.696 7.543 -4.323 171 3HD2 LEU 24 3HD2 LEU 24 -7.097 6.679 -2.887 172 H LEU 25 H LEU 25 -6.085 5.846 0.433 173 HA LEU 25 HA LEU 25 -6.496 6.278 3.286 174 1HB LEU 25 1HB LEU 25 -5.869 4.041 2.109 175 2HB LEU 25 2HB LEU 25 -4.250 4.711 2.066 176 HG LEU 25 HG LEU 25 -4.425 5.028 4.579 177 1HD1 LEU 25 1HD1 LEU 25 -6.405 2.937 4.940 178 2HD1 LEU 25 2HD1 LEU 25 -6.271 4.534 5.714 179 3HD1 LEU 25 3HD1 LEU 25 -7.102 4.371 4.149 180 1HD2 LEU 25 1HD2 LEU 25 -3.424 3.021 4.923 181 2HD2 LEU 25 2HD2 LEU 25 -4.683 2.110 4.056 182 3HD2 LEU 25 3HD2 LEU 25 -3.440 3.000 3.144 183 H SER 26 H SER 26 -5.295 7.692 4.496 184 HA SER 26 HA SER 26 -3.438 9.303 2.956 185 1HB SER 26 1HB SER 26 -3.860 11.065 4.478 186 2HB SER 26 2HB SER 26 -5.423 10.299 4.281 187 HG SER 26 HG SER 26 -5.441 9.812 6.363 188 H PHE 27 H PHE 27 -1.252 9.061 3.272 189 HA PHE 27 HA PHE 27 -0.267 8.381 5.883 190 1HB PHE 27 1HB PHE 27 1.000 6.385 4.838 191 2HB PHE 27 2HB PHE 27 -0.726 6.137 5.012 192 HD1 PHE 27 1HD PHE 27 1.744 7.387 2.508 193 HD2 PHE 27 2HD PHE 27 -1.922 5.362 3.193 194 HE1 PHE 27 1HE PHE 27 1.570 6.873 0.057 195 HE2 PHE 27 2HE PHE 27 -2.096 4.847 0.742 196 HZ PHE 27 HZ PHE 27 -0.348 5.609 -0.796 197 H ALA 28 H ALA 28 2.295 8.063 5.656 198 HA ALA 28 HA ALA 28 3.181 10.101 3.730 199 1HB ALA 28 1HB ALA 28 4.612 9.464 6.310 200 2HB ALA 28 2HB ALA 28 4.621 10.967 5.357 201 3HB ALA 28 3HB ALA 28 3.188 10.532 6.319 202 H GLN 29 H GLN 29 5.207 9.744 2.662 203 HA GLN 29 HA GLN 29 5.621 7.233 1.773 204 1HB GLN 29 1HB GLN 29 6.556 9.215 0.680 205 2HB GLN 29 2HB GLN 29 7.621 9.519 2.039 206 1HG GLN 29 1HG GLN 29 8.604 7.157 1.601 207 2HG GLN 29 2HG GLN 29 7.731 7.186 0.082 208 1HE2 GLN 29 1HE2 GLN 29 10.103 6.923 -0.518 209 2HE2 GLN 29 2HE2 GLN 29 10.982 8.363 -0.911 210 H GLY 30 H GLY 30 6.549 5.372 2.547 211 1HA GLY 30 1HA GLY 30 8.413 4.362 3.691 212 2HA GLY 30 2HA GLY 30 8.312 5.620 4.907 213 H ASP 31 H ASP 31 5.333 5.645 5.020 214 HA ASP 31 HA ASP 31 4.925 4.008 7.097 215 1HB ASP 31 1HB ASP 31 3.007 4.974 4.938 216 2HB ASP 31 2HB ASP 31 2.431 4.073 6.327 217 H VAL 32 H VAL 32 3.770 1.898 7.328 218 HA VAL 32 HA VAL 32 4.027 0.245 4.910 219 HB VAL 32 HB VAL 32 4.503 -0.360 7.827 220 1HG1 VAL 32 1HG1 VAL 32 3.505 -2.349 7.345 221 2HG1 VAL 32 2HG1 VAL 32 3.770 -2.188 5.593 222 3HG1 VAL 32 3HG1 VAL 32 5.105 -2.704 6.651 223 1HG2 VAL 32 1HG2 VAL 32 6.255 0.621 6.061 224 2HG2 VAL 32 2HG2 VAL 32 6.720 -0.561 7.309 225 3HG2 VAL 32 3HG2 VAL 32 6.400 -1.104 5.644 226 H LEU 33 H LEU 33 2.242 -0.886 4.225 227 HA LEU 33 HA LEU 33 -0.093 -0.769 6.004 228 1HB LEU 33 1HB LEU 33 -0.414 -0.733 3.040 229 2HB LEU 33 2HB LEU 33 -1.486 -0.142 4.294 230 HG LEU 33 HG LEU 33 0.915 1.403 4.413 231 1HD1 LEU 33 1HD1 LEU 33 1.520 1.933 2.326 232 2HD1 LEU 33 2HD1 LEU 33 0.710 0.418 1.861 233 3HD1 LEU 33 3HD1 LEU 33 -0.161 1.966 1.740 234 1HD2 LEU 33 1HD2 LEU 33 -0.939 3.105 3.425 235 2HD2 LEU 33 2HD2 LEU 33 -1.992 1.801 4.025 236 3HD2 LEU 33 3HD2 LEU 33 -0.851 2.604 5.131 237 H THR 34 H THR 34 -1.376 -2.635 6.127 238 HA THR 34 HA THR 34 -0.051 -5.019 5.077 239 HB THR 34 HB THR 34 -2.277 -4.647 7.151 240 HG1 THR 34 1HG THR 34 0.590 -5.241 7.338 241 1HG2 THR 34 1HG2 THR 34 -2.310 -6.925 7.301 242 2HG2 THR 34 2HG2 THR 34 -1.255 -7.007 5.870 243 3HG2 THR 34 3HG2 THR 34 -0.541 -6.950 7.499 244 H LEU 35 H LEU 35 -0.747 -6.086 3.339 245 HA LEU 35 HA LEU 35 -3.051 -5.145 1.974 246 1HB LEU 35 1HB LEU 35 -1.115 -7.408 1.532 247 2HB LEU 35 2HB LEU 35 -2.503 -7.154 0.493 248 HG LEU 35 HG LEU 35 -1.139 -4.657 0.723 249 1HD1 LEU 35 1HD1 LEU 35 0.931 -6.011 -0.604 250 2HD1 LEU 35 2HD1 LEU 35 1.009 -5.161 0.958 251 3HD1 LEU 35 3HD1 LEU 35 0.662 -6.906 0.911 252 1HD2 LEU 35 1HD2 LEU 35 -2.350 -4.975 -1.211 253 2HD2 LEU 35 2HD2 LEU 35 -0.688 -5.253 -1.783 254 3HD2 LEU 35 3HD2 LEU 35 -1.755 -6.637 -1.444 255 H LEU 36 H LEU 36 -5.012 -6.313 1.504 256 HA LEU 36 HA LEU 36 -5.577 -8.390 3.504 257 1HB LEU 36 1HB LEU 36 -7.456 -6.259 2.475 258 2HB LEU 36 2HB LEU 36 -7.863 -7.538 3.602 259 HG LEU 36 HG LEU 36 -5.889 -5.293 4.105 260 1HD1 LEU 36 1HD1 LEU 36 -7.579 -4.544 5.774 261 2HD1 LEU 36 2HD1 LEU 36 -8.129 -4.431 4.085 262 3HD1 LEU 36 3HD1 LEU 36 -8.703 -5.760 5.122 263 1HD2 LEU 36 1HD2 LEU 36 -6.651 -6.582 6.512 264 2HD2 LEU 36 2HD2 LEU 36 -6.151 -7.851 5.367 265 3HD2 LEU 36 3HD2 LEU 36 -5.043 -6.512 5.751 266 H ILE 37 H ILE 37 -6.341 -7.030 0.242 267 HA ILE 37 HA ILE 37 -7.419 -9.640 -0.496 268 HB ILE 37 HB ILE 37 -8.164 -8.425 -2.540 269 1HG1 ILE 37 1HG1 ILE 37 -7.348 -5.912 -1.060 270 2HG1 ILE 37 2HG1 ILE 37 -6.397 -6.622 -2.350 271 1HG2 ILE 37 1HG2 ILE 37 -9.994 -8.528 -1.261 272 2HG2 ILE 37 2HG2 ILE 37 -9.111 -8.060 0.212 273 3HG2 ILE 37 3HG2 ILE 37 -9.682 -6.809 -0.919 274 1HD1 ILE 37 1HD1 ILE 37 -8.544 -6.536 -3.790 275 2HD1 ILE 37 2HD1 ILE 37 -9.216 -5.491 -2.515 276 3HD1 ILE 37 3HD1 ILE 37 -7.768 -4.979 -3.415 277 HA PRO 38 HA PRO 38 -3.725 -10.574 -2.550 278 1HB PRO 38 1HB PRO 38 -4.545 -12.774 -3.949 279 2HB PRO 38 2HB PRO 38 -4.065 -12.833 -2.264 280 1HG PRO 38 1HG PRO 38 -6.782 -12.955 -3.423 281 2HG PRO 38 2HG PRO 38 -6.249 -13.430 -1.823 282 1HD PRO 38 1HD PRO 38 -7.674 -11.040 -2.518 283 2HD PRO 38 2HD PRO 38 -7.040 -11.461 -0.939 284 H GLU 39 H GLU 39 -6.625 -9.812 -4.188 285 HA GLU 39 HA GLU 39 -5.167 -9.583 -6.673 286 1HB GLU 39 1HB GLU 39 -7.376 -9.178 -7.690 287 2HB GLU 39 2HB GLU 39 -7.403 -10.637 -6.720 288 1HG GLU 39 1HG GLU 39 -8.170 -8.036 -5.392 289 2HG GLU 39 2HG GLU 39 -9.319 -8.769 -6.494 290 H GLU 40 H GLU 40 -5.925 -7.466 -8.009 291 HA GLU 40 HA GLU 40 -5.657 -5.236 -6.145 292 1HB GLU 40 1HB GLU 40 -4.248 -4.089 -7.794 293 2HB GLU 40 2HB GLU 40 -3.550 -5.647 -7.396 294 1HG GLU 40 1HG GLU 40 -4.578 -6.634 -9.455 295 2HG GLU 40 2HG GLU 40 -5.276 -5.077 -9.853 296 H LYS 41 H LYS 41 -6.729 -3.227 -6.772 297 HA LYS 41 HA LYS 41 -9.154 -3.752 -8.212 298 1HB LYS 41 1HB LYS 41 -8.317 -2.014 -6.146 299 2HB LYS 41 2HB LYS 41 -8.764 -0.981 -7.489 300 1HG LYS 41 1HG LYS 41 -10.892 -2.526 -7.673 301 2HG LYS 41 2HG LYS 41 -10.471 -3.041 -6.052 302 1HD LYS 41 1HD LYS 41 -11.102 -1.045 -5.109 303 2HD LYS 41 2HD LYS 41 -10.403 -0.095 -6.405 304 1HE LYS 41 1HE LYS 41 -12.436 0.166 -7.380 305 2HE LYS 41 2HE LYS 41 -12.661 -1.569 -7.469 306 1HZ LYS 41 1HZ LYS 41 -13.836 -1.580 -5.570 307 2HZ LYS 41 2HZ LYS 41 -13.009 -0.356 -4.873 308 3HZ LYS 41 3HZ LYS 41 -14.159 -0.034 -5.987 309 H ASP 42 H ASP 42 -7.450 -4.310 -10.110 310 HA ASP 42 HA ASP 42 -6.815 -3.840 -12.128 311 1HB ASP 42 1HB ASP 42 -8.757 -1.559 -11.672 312 2HB ASP 42 2HB ASP 42 -7.814 -1.595 -13.149 313 H GLY 43 H GLY 43 -4.934 -3.194 -10.227 314 1HA GLY 43 1HA GLY 43 -2.879 -2.035 -10.787 315 2HA GLY 43 2HA GLY 43 -3.832 -0.614 -11.167 316 H TRP 44 H TRP 44 -5.688 -0.579 -9.012 317 HA TRP 44 HA TRP 44 -3.985 0.463 -6.963 318 1HB TRP 44 1HB TRP 44 -6.972 0.264 -7.316 319 2HB TRP 44 2HB TRP 44 -6.241 0.878 -5.847 320 HD1 TRP 44 HD TRP 44 -5.972 1.712 -9.667 321 HE1 TRP 44 1HE TRP 44 -5.747 4.317 -10.023 322 HE3 TRP 44 3HE TRP 44 -5.928 2.913 -4.726 323 HZ2 TRP 44 2HZ TRP 44 -5.579 6.538 -8.238 324 HZ3 TRP 44 3HZ TRP 44 -5.730 5.323 -4.118 325 HH2 TRP 44 HH TRP 44 -5.559 7.106 -5.781 326 H LEU 45 H LEU 45 -4.100 -0.264 -4.675 327 HA LEU 45 HA LEU 45 -4.998 -3.030 -4.382 328 1HB LEU 45 1HB LEU 45 -2.224 -2.000 -4.181 329 2HB LEU 45 2HB LEU 45 -2.738 -3.116 -2.932 330 HG LEU 45 HG LEU 45 -2.921 -3.696 -5.900 331 1HD1 LEU 45 1HD1 LEU 45 -0.898 -4.860 -5.815 332 2HD1 LEU 45 2HD1 LEU 45 -0.569 -3.357 -4.920 333 3HD1 LEU 45 3HD1 LEU 45 -0.867 -4.872 -4.035 334 1HD2 LEU 45 1HD2 LEU 45 -3.791 -5.717 -5.410 335 2HD2 LEU 45 2HD2 LEU 45 -2.859 -5.880 -3.902 336 3HD2 LEU 45 3HD2 LEU 45 -4.335 -4.886 -3.933 337 H TYR 46 H TYR 46 -5.535 -3.614 -2.190 338 HA TYR 46 HA TYR 46 -6.046 -1.232 -0.550 339 1HB TYR 46 1HB TYR 46 -7.830 -2.964 -1.534 340 2HB TYR 46 2HB TYR 46 -7.210 -4.061 -0.317 341 HD1 TYR 46 1HD TYR 46 -8.261 -4.121 1.756 342 HD2 TYR 46 2HD TYR 46 -8.538 -0.560 -0.600 343 HE1 TYR 46 1HE TYR 46 -9.841 -3.102 3.468 344 HE2 TYR 46 2HE TYR 46 -10.117 0.446 1.120 345 HH TYR 46 HH TYR 46 -11.648 -0.305 2.812 346 H GLY 47 H GLY 47 -6.124 -1.742 1.898 347 1HA GLY 47 1HA GLY 47 -4.798 -3.877 3.054 348 2HA GLY 47 2HA GLY 47 -3.562 -2.695 2.673 349 H GLU 48 H GLU 48 -3.586 -2.959 5.238 350 HA GLU 48 HA GLU 48 -5.437 -0.942 6.248 351 1HB GLU 48 1HB GLU 48 -5.816 -3.170 7.246 352 2HB GLU 48 2HB GLU 48 -4.131 -3.274 7.717 353 1HG GLU 48 1HG GLU 48 -4.459 -1.169 9.111 354 2HG GLU 48 2HG GLU 48 -6.168 -1.236 8.730 355 H HIS 49 H HIS 49 -4.598 0.800 7.453 356 HA HIS 49 HA HIS 49 -1.828 1.302 7.020 357 1HB HIS 49 1HB HIS 49 -3.723 2.985 6.896 358 2HB HIS 49 2HB HIS 49 -3.792 2.933 8.646 359 HD1 HIS 49 1HD HIS 49 -0.894 3.086 9.498 360 HD2 HIS 49 2HD HIS 49 -2.427 5.301 6.282 361 HE1 HIS 49 1HE HIS 49 0.678 5.071 9.183 362 H ASP 50 H ASP 50 -0.166 1.521 8.593 363 HA ASP 50 HA ASP 50 -0.653 -0.132 10.890 364 1HB ASP 50 1HB ASP 50 1.442 -0.106 9.276 365 2HB ASP 50 2HB ASP 50 1.960 1.267 10.234 366 H THR 51 H THR 51 -2.095 2.284 11.057 367 HA THR 51 HA THR 51 -0.982 3.442 13.419 368 HB THR 51 HB THR 51 -1.025 4.995 10.786 369 HG1 THR 51 1HG THR 51 0.991 4.039 11.265 370 1HG2 THR 51 1HG2 THR 51 -2.033 6.382 12.662 371 2HG2 THR 51 2HG2 THR 51 -0.568 6.063 13.621 372 3HG2 THR 51 3HG2 THR 51 -0.456 6.995 12.108 373 H THR 52 H THR 52 -3.152 4.876 10.921 374 HA THR 52 HA THR 52 -5.131 5.524 12.758 375 HB THR 52 HB THR 52 -6.452 5.976 10.721 376 HG1 THR 52 1HG THR 52 -5.879 4.842 8.834 377 1HG2 THR 52 1HG2 THR 52 -5.018 7.693 10.257 378 2HG2 THR 52 2HG2 THR 52 -3.661 6.790 10.974 379 3HG2 THR 52 3HG2 THR 52 -4.070 6.567 9.256 380 H LYS 53 H LYS 53 -4.346 2.447 11.256 381 HA LYS 53 HA LYS 53 -5.129 0.422 11.714 382 1HB LYS 53 1HB LYS 53 -6.145 1.946 13.914 383 2HB LYS 53 2HB LYS 53 -7.403 0.844 13.392 384 1HG LYS 53 1HG LYS 53 -6.061 -0.362 14.992 385 2HG LYS 53 2HG LYS 53 -5.674 -1.030 13.419 386 1HD LYS 53 1HD LYS 53 -3.490 -0.564 13.801 387 2HD LYS 53 2HD LYS 53 -3.878 1.144 13.753 388 1HE LYS 53 1HE LYS 53 -4.464 1.041 16.213 389 2HE LYS 53 2HE LYS 53 -3.965 -0.639 16.234 390 1HZ LYS 53 1HZ LYS 53 -2.149 1.431 15.259 391 2HZ LYS 53 2HZ LYS 53 -2.281 1.125 16.858 392 3HZ LYS 53 3HZ LYS 53 -1.787 -0.052 15.839 393 H ALA 54 H ALA 54 -6.562 2.877 10.065 394 HA ALA 54 HA ALA 54 -8.947 1.354 9.343 395 1HB ALA 54 1HB ALA 54 -9.670 3.413 8.277 396 2HB ALA 54 2HB ALA 54 -9.091 3.795 9.917 397 3HB ALA 54 3HB ALA 54 -8.063 4.144 8.507 398 H ARG 55 H ARG 55 -9.440 1.104 6.981 399 HA ARG 55 HA ARG 55 -6.937 0.733 5.537 400 1HB ARG 55 1HB ARG 55 -9.538 -0.861 5.277 401 2HB ARG 55 2HB ARG 55 -8.088 -1.145 4.335 402 1HG ARG 55 1HG ARG 55 -7.169 -2.387 5.997 403 2HG ARG 55 2HG ARG 55 -7.392 -1.093 7.158 404 1HD ARG 55 1HD ARG 55 -10.000 -2.112 6.744 405 2HD ARG 55 2HD ARG 55 -8.980 -3.537 6.776 406 HE ARG 55 HE ARG 55 -8.149 -1.882 8.927 407 1HH1 ARG 55 2HH2 ARG 55 -11.002 -3.700 7.959 408 2HH1 ARG 55 1HH2 ARG 55 -11.530 -3.984 9.584 409 1HH2 ARG 55 2HH1 ARG 55 -8.845 -2.256 11.072 410 2HH2 ARG 55 1HH1 ARG 55 -10.295 -3.157 11.366 411 H GLY 56 H GLY 56 -6.825 1.546 3.401 412 1HA GLY 56 1HA GLY 56 -9.293 2.758 2.323 413 2HA GLY 56 2HA GLY 56 -7.798 3.667 2.417 414 H TRP 57 H TRP 57 -8.283 3.767 -0.029 415 HA TRP 57 HA TRP 57 -7.244 1.343 -1.330 416 1HB TRP 57 1HB TRP 57 -9.139 3.480 -2.294 417 2HB TRP 57 2HB TRP 57 -8.316 2.390 -3.391 418 HD1 TRP 57 HD TRP 57 -11.280 2.512 -1.039 419 HE1 TRP 57 1HE TRP 57 -12.647 0.254 -1.035 420 HE3 TRP 57 3HE TRP 57 -7.840 -0.186 -3.636 421 HZ2 TRP 57 2HZ TRP 57 -12.147 -2.348 -2.095 422 HZ3 TRP 57 3HZ TRP 57 -8.357 -2.578 -4.109 423 HH2 TRP 57 HH TRP 57 -10.424 -3.663 -3.384 424 H PHE 58 H PHE 58 -5.341 1.533 -2.510 425 HA PHE 58 HA PHE 58 -4.362 4.220 -3.051 426 1HB PHE 58 1HB PHE 58 -2.147 3.522 -2.053 427 2HB PHE 58 2HB PHE 58 -3.416 3.510 -0.846 428 HD1 PHE 58 1HD PHE 58 -3.856 1.573 0.388 429 HD2 PHE 58 2HD PHE 58 -1.549 1.284 -3.162 430 HE1 PHE 58 1HE PHE 58 -3.316 -0.817 0.934 431 HE2 PHE 58 2HE PHE 58 -1.009 -1.105 -2.616 432 HZ PHE 58 HZ PHE 58 -1.898 -2.127 -0.575 433 HA PRO 59 HA PRO 59 -3.001 2.273 -6.673 434 1HB PRO 59 1HB PRO 59 -1.092 4.024 -7.545 435 2HB PRO 59 2HB PRO 59 -2.809 4.286 -7.774 436 1HG PRO 59 1HG PRO 59 -0.974 5.590 -5.858 437 2HG PRO 59 2HG PRO 59 -2.556 6.118 -6.395 438 1HD PRO 59 1HD PRO 59 -1.918 4.891 -3.883 439 2HD PRO 59 2HD PRO 59 -3.515 5.312 -4.467 440 H SER 60 H SER 60 -1.965 0.409 -6.946 441 HA SER 60 HA SER 60 -0.047 -0.405 -5.233 442 1HB SER 60 1HB SER 60 0.420 -2.195 -6.811 443 2HB SER 60 2HB SER 60 -1.294 -1.838 -6.871 444 HG SER 60 HG SER 60 -0.962 -1.664 -8.983 445 H SER 61 H SER 61 0.228 1.830 -7.926 446 HA SER 61 HA SER 61 2.970 1.464 -8.389 447 1HB SER 61 1HB SER 61 0.824 3.069 -9.427 448 2HB SER 61 2HB SER 61 2.137 4.156 -9.022 449 HG SER 61 HG SER 61 2.833 1.763 -10.395 450 H TYR 62 H TYR 62 1.022 3.340 -6.082 451 HA TYR 62 HA TYR 62 3.273 4.954 -5.260 452 1HB TYR 62 1HB TYR 62 0.313 4.577 -4.730 453 2HB TYR 62 2HB TYR 62 1.235 5.266 -3.409 454 HD1 TYR 62 1HD TYR 62 0.593 7.512 -3.311 455 HD2 TYR 62 2HD TYR 62 1.616 5.802 -7.097 456 HE1 TYR 62 1HE TYR 62 0.431 9.805 -4.399 457 HE2 TYR 62 2HE TYR 62 1.451 8.100 -8.172 458 HH TYR 62 HH TYR 62 -0.112 10.506 -7.045 459 H THR 63 H THR 63 2.858 1.781 -4.945 460 HA THR 63 HA THR 63 4.083 1.755 -2.305 461 HB THR 63 HB THR 63 2.478 -0.114 -1.636 462 HG1 THR 63 1HG THR 63 1.430 -0.742 -3.506 463 1HG2 THR 63 1HG2 THR 63 0.559 1.324 -1.122 464 2HG2 THR 63 2HG2 THR 63 2.036 2.298 -0.927 465 3HG2 THR 63 3HG2 THR 63 1.036 2.480 -2.389 466 H LYS 64 H LYS 64 5.327 -0.156 -1.875 467 HA LYS 64 HA LYS 64 5.730 -1.829 -4.244 468 1HB LYS 64 1HB LYS 64 8.219 -1.706 -3.717 469 2HB LYS 64 2HB LYS 64 7.497 -0.307 -4.486 470 1HG LYS 64 1HG LYS 64 7.483 0.958 -2.454 471 2HG LYS 64 2HG LYS 64 7.692 -0.469 -1.458 472 1HD LYS 64 1HD LYS 64 9.987 -0.774 -2.608 473 2HD LYS 64 2HD LYS 64 9.763 0.828 -3.282 474 1HE LYS 64 1HE LYS 64 10.748 1.569 -1.357 475 2HE LYS 64 2HE LYS 64 9.180 1.299 -0.621 476 1HZ LYS 64 1HZ LYS 64 11.524 0.026 -0.017 477 2HZ LYS 64 2HZ LYS 64 10.039 -0.325 0.565 478 3HZ LYS 64 3HZ LYS 64 10.607 -1.109 -0.751 479 H LEU 65 H LEU 65 6.853 -3.912 -3.697 480 HA LEU 65 HA LEU 65 5.677 -4.959 -1.311 481 1HB LEU 65 1HB LEU 65 7.215 -6.061 -3.631 482 2HB LEU 65 2HB LEU 65 7.022 -7.030 -2.184 483 HG LEU 65 HG LEU 65 4.544 -5.819 -3.302 484 1HD1 LEU 65 1HD1 LEU 65 4.295 -7.323 -5.105 485 2HD1 LEU 65 2HD1 LEU 65 5.913 -6.605 -5.290 486 3HD1 LEU 65 3HD1 LEU 65 5.739 -8.252 -4.637 487 1HD2 LEU 65 1HD2 LEU 65 4.162 -8.524 -2.832 488 2HD2 LEU 65 2HD2 LEU 65 5.336 -8.038 -1.585 489 3HD2 LEU 65 3HD2 LEU 65 3.779 -7.187 -1.721 490 H LEU 66 H LEU 66 6.629 -5.391 0.642 491 HA LEU 66 HA LEU 66 8.985 -4.067 1.299 492 1HB LEU 66 1HB LEU 66 7.447 -6.268 2.675 493 2HB LEU 66 2HB LEU 66 8.826 -5.461 3.394 494 HG LEU 66 HG LEU 66 6.044 -4.541 3.058 495 1HD1 LEU 66 1HD1 LEU 66 6.412 -4.591 5.262 496 2HD1 LEU 66 2HD1 LEU 66 8.181 -4.541 5.067 497 3HD1 LEU 66 3HD1 LEU 66 7.237 -3.032 5.020 498 1HD2 LEU 66 1HD2 LEU 66 7.252 -3.083 1.434 499 2HD2 LEU 66 2HD2 LEU 66 6.520 -2.205 2.798 500 3HD2 LEU 66 3HD2 LEU 66 8.273 -2.511 2.775 501 H SER 67 H SER 67 10.867 -5.390 2.480 502 HA SER 67 HA SER 67 11.560 -7.613 0.733 503 1HB SER 67 1HB SER 67 13.100 -5.085 1.270 504 2HB SER 67 2HB SER 67 14.016 -6.570 1.113 505 HG SER 67 HG SER 67 12.020 -6.033 -0.855 506 H GLY 68 H GLY 68 10.889 -8.986 2.544 507 1HA GLY 68 1HA GLY 68 12.293 -8.680 5.072 508 2HA GLY 68 2HA GLY 68 11.042 -9.840 4.672 509 HA PRO 69 HA PRO 69 15.241 -11.779 4.355 510 1HB PRO 69 1HB PRO 69 15.396 -13.111 6.736 511 2HB PRO 69 2HB PRO 69 16.156 -11.557 6.457 512 1HG PRO 69 1HG PRO 69 13.711 -12.175 7.999 513 2HG PRO 69 2HG PRO 69 14.710 -10.736 8.055 514 1HD PRO 69 1HD PRO 69 12.166 -11.010 6.757 515 2HD PRO 69 2HD PRO 69 13.218 -9.609 6.716 516 H SER 70 H SER 70 13.988 -12.767 2.644 517 HA SER 70 HA SER 70 12.152 -14.677 3.023 518 1HB SER 70 1HB SER 70 14.383 -14.556 0.951 519 2HB SER 70 2HB SER 70 13.054 -15.694 0.848 520 HG SER 70 HG SER 70 12.241 -14.020 -0.296 521 H SER 71 H SER 71 12.089 -16.880 3.584 522 HA SER 71 HA SER 71 12.733 -18.626 4.731 523 1HB SER 71 1HB SER 71 13.875 -18.718 2.234 524 2HB SER 71 2HB SER 71 15.296 -18.937 3.236 525 HG SER 71 HG SER 71 12.872 -20.521 3.343 526 H GLY 72 H GLY 72 13.173 -17.701 6.808 527 1HA GLY 72 1HA GLY 72 15.412 -16.299 7.580 528 2HA GLY 72 2HA GLY 72 14.438 -17.314 8.626 Start of MODEL 7 1 1H GLY 1 H GLY 1 2.874 -15.082 15.120 2 1HA GLY 1 1HA GLY 1 4.675 -14.546 13.541 3 2HA GLY 1 2HA GLY 1 5.757 -15.465 14.568 4 H SER 2 H SER 2 3.227 -15.609 12.118 5 HA SER 2 HA SER 2 3.590 -18.504 12.069 6 1HB SER 2 1HB SER 2 1.258 -17.660 12.694 7 2HB SER 2 2HB SER 2 1.139 -16.987 11.080 8 HG SER 2 HG SER 2 1.426 -19.769 11.816 9 H SER 3 H SER 3 3.033 -19.381 9.711 10 HA SER 3 HA SER 3 3.997 -17.446 7.766 11 1HB SER 3 1HB SER 3 5.561 -19.534 8.759 12 2HB SER 3 2HB SER 3 4.912 -20.214 7.280 13 HG SER 3 HG SER 3 6.747 -19.153 6.617 14 H GLY 4 H GLY 4 2.808 -17.456 5.861 15 1HA GLY 4 1HA GLY 4 1.644 -18.554 4.142 16 2HA GLY 4 2HA GLY 4 1.195 -19.836 5.248 17 H SER 5 H SER 5 0.402 -16.640 4.005 18 HA SER 5 HA SER 5 -2.249 -16.886 4.698 19 1HB SER 5 1HB SER 5 -1.555 -16.489 7.018 20 2HB SER 5 2HB SER 5 -0.660 -15.058 6.549 21 HG SER 5 HG SER 5 -3.165 -15.114 7.356 22 H SER 6 H SER 6 -3.507 -15.166 3.727 23 HA SER 6 HA SER 6 -1.956 -13.665 1.847 24 1HB SER 6 1HB SER 6 -4.867 -14.321 2.237 25 2HB SER 6 2HB SER 6 -4.480 -12.893 1.298 26 HG SER 6 HG SER 6 -4.497 -14.498 -0.222 27 H GLY 7 H GLY 7 -1.082 -11.730 2.500 28 1HA GLY 7 1HA GLY 7 -2.501 -9.504 3.174 29 2HA GLY 7 2HA GLY 7 -2.180 -10.269 4.717 30 H GLN 8 H GLN 8 -0.217 -10.050 1.664 31 HA GLN 8 HA GLN 8 2.179 -9.826 2.948 32 1HB GLN 8 1HB GLN 8 1.137 -9.375 0.221 33 2HB GLN 8 2HB GLN 8 2.542 -8.392 0.580 34 1HG GLN 8 1HG GLN 8 2.353 -11.426 0.889 35 2HG GLN 8 2HG GLN 8 3.226 -10.573 -0.369 36 1HE2 GLN 8 1HE2 GLN 8 5.168 -9.619 0.037 37 2HE2 GLN 8 2HE2 GLN 8 6.071 -9.826 1.501 38 H LYS 9 H LYS 9 3.706 -7.773 2.661 39 HA LYS 9 HA LYS 9 2.160 -5.443 3.566 40 1HB LYS 9 1HB LYS 9 4.826 -6.501 4.537 41 2HB LYS 9 2HB LYS 9 4.250 -4.885 4.893 42 1HG LYS 9 1HG LYS 9 2.043 -6.531 5.500 43 2HG LYS 9 2HG LYS 9 3.421 -7.458 6.059 44 1HD LYS 9 1HD LYS 9 3.890 -4.742 6.851 45 2HD LYS 9 2HD LYS 9 2.220 -5.095 7.247 46 1HE LYS 9 1HE LYS 9 4.194 -7.238 7.945 47 2HE LYS 9 2HE LYS 9 4.335 -5.751 8.863 48 1HZ LYS 9 1HZ LYS 9 1.775 -7.137 8.502 49 2HZ LYS 9 2HZ LYS 9 2.771 -7.434 9.762 50 3HZ LYS 9 3HZ LYS 9 2.122 -5.948 9.567 51 H VAL 10 H VAL 10 2.762 -3.400 2.753 52 HA VAL 10 HA VAL 10 4.817 -3.477 0.661 53 HB VAL 10 HB VAL 10 3.273 -1.846 -0.560 54 1HG1 VAL 10 1HG1 VAL 10 1.832 -4.382 -0.722 55 2HG1 VAL 10 2HG1 VAL 10 2.849 -3.564 -1.932 56 3HG1 VAL 10 3HG1 VAL 10 3.598 -4.605 -0.697 57 1HG2 VAL 10 1HG2 VAL 10 1.196 -1.423 0.166 58 2HG2 VAL 10 2HG2 VAL 10 0.880 -3.140 0.517 59 3HG2 VAL 10 3HG2 VAL 10 1.712 -2.124 1.719 60 H LYS 11 H LYS 11 5.825 -1.367 0.239 61 HA LYS 11 HA LYS 11 5.500 0.447 2.528 62 1HB LYS 11 1HB LYS 11 7.557 -0.574 2.944 63 2HB LYS 11 2HB LYS 11 7.985 -0.663 1.247 64 1HG LYS 11 1HG LYS 11 8.202 1.823 1.161 65 2HG LYS 11 2HG LYS 11 7.746 1.929 2.849 66 1HD LYS 11 1HD LYS 11 9.969 0.030 2.379 67 2HD LYS 11 2HD LYS 11 10.354 1.664 1.876 68 1HE LYS 11 1HE LYS 11 10.308 2.493 4.033 69 2HE LYS 11 2HE LYS 11 8.979 1.460 4.519 70 1HZ LYS 11 1HZ LYS 11 10.381 -0.202 5.060 71 2HZ LYS 11 2HZ LYS 11 11.506 0.176 3.938 72 3HZ LYS 11 3HZ LYS 11 11.409 1.040 5.321 73 H THR 12 H THR 12 5.135 2.573 2.052 74 HA THR 12 HA THR 12 4.645 3.225 -0.695 75 HB THR 12 HB THR 12 3.760 5.285 0.282 76 HG1 THR 12 1HG THR 12 4.367 5.711 2.541 77 1HG2 THR 12 1HG2 THR 12 2.988 3.955 2.691 78 2HG2 THR 12 2HG2 THR 12 2.035 4.096 1.194 79 3HG2 THR 12 3HG2 THR 12 3.098 2.690 1.444 80 H ILE 13 H ILE 13 5.918 4.206 -2.151 81 HA ILE 13 HA ILE 13 8.563 4.994 -1.196 82 HB ILE 13 HB ILE 13 9.129 4.923 -3.627 83 1HG1 ILE 13 1HG1 ILE 13 6.408 3.623 -3.934 84 2HG1 ILE 13 2HG1 ILE 13 6.782 5.259 -4.437 85 1HG2 ILE 13 1HG2 ILE 13 9.698 3.084 -2.163 86 2HG2 ILE 13 2HG2 ILE 13 8.068 2.392 -2.343 87 3HG2 ILE 13 3HG2 ILE 13 9.167 2.454 -3.741 88 1HD1 ILE 13 1HD1 ILE 13 7.149 4.065 -6.420 89 2HD1 ILE 13 2HD1 ILE 13 8.792 4.120 -5.736 90 3HD1 ILE 13 3HD1 ILE 13 7.805 2.648 -5.564 91 H PHE 14 H PHE 14 5.503 6.299 -1.952 92 HA PHE 14 HA PHE 14 6.704 8.942 -2.081 93 1HB PHE 14 1HB PHE 14 4.566 7.807 -3.984 94 2HB PHE 14 2HB PHE 14 5.109 9.473 -3.990 95 HD1 PHE 14 1HD PHE 14 7.979 9.327 -3.866 96 HD2 PHE 14 2HD PHE 14 5.277 6.780 -5.920 97 HE1 PHE 14 1HE PHE 14 9.785 8.733 -5.505 98 HE2 PHE 14 2HE PHE 14 7.083 6.186 -7.559 99 HZ PHE 14 HZ PHE 14 9.315 7.170 -7.332 100 HA PRO 15 HA PRO 15 3.349 9.804 0.521 101 1HB PRO 15 1HB PRO 15 3.270 12.532 0.384 102 2HB PRO 15 2HB PRO 15 4.406 11.656 1.390 103 1HG PRO 15 1HG PRO 15 4.891 13.050 -1.171 104 2HG PRO 15 2HG PRO 15 6.052 12.547 0.042 105 1HD PRO 15 1HD PRO 15 5.528 11.262 -2.468 106 2HD PRO 15 2HD PRO 15 6.603 10.696 -1.206 107 H HIS 16 H HIS 16 1.130 10.060 0.644 108 HA HIS 16 HA HIS 16 -0.103 11.270 -1.659 109 1HB HIS 16 1HB HIS 16 -0.010 9.205 -2.675 110 2HB HIS 16 2HB HIS 16 -0.103 8.322 -1.164 111 HD1 HIS 16 1HD HIS 16 -2.480 7.877 -0.157 112 HD2 HIS 16 2HD HIS 16 -2.497 9.912 -3.826 113 HE1 HIS 16 1HE HIS 16 -4.886 7.808 -1.002 114 H THR 17 H THR 17 -1.381 12.723 -0.618 115 HA THR 17 HA THR 17 -2.574 11.951 1.925 116 HB THR 17 HB THR 17 -2.824 14.631 0.503 117 HG1 THR 17 1HG THR 17 -0.585 14.267 0.475 118 1HG2 THR 17 1HG2 THR 17 -2.068 14.344 3.383 119 2HG2 THR 17 2HG2 THR 17 -3.217 15.473 2.624 120 3HG2 THR 17 3HG2 THR 17 -3.713 13.800 2.976 121 H ALA 18 H ALA 18 -4.588 11.217 2.164 122 HA ALA 18 HA ALA 18 -6.305 11.326 -0.197 123 1HB ALA 18 1HB ALA 18 -6.081 9.111 0.571 124 2HB ALA 18 2HB ALA 18 -6.153 9.597 2.281 125 3HB ALA 18 3HB ALA 18 -7.624 9.640 1.281 126 H GLY 19 H GLY 19 -6.080 12.249 3.267 127 1HA GLY 19 1HA GLY 19 -7.170 13.862 4.407 128 2HA GLY 19 2HA GLY 19 -7.867 14.430 2.903 129 H ASN 20 H ASN 20 -8.104 11.211 4.570 130 HA ASN 20 HA ASN 20 -9.813 10.242 5.551 131 1HB ASN 20 1HB ASN 20 -10.649 12.816 5.876 132 2HB ASN 20 2HB ASN 20 -11.877 12.289 4.743 133 1HD2 ASN 20 1HD2 ASN 20 -13.656 11.845 5.786 134 2HD2 ASN 20 2HD2 ASN 20 -13.819 10.921 7.243 135 H ASN 21 H ASN 21 -11.280 12.223 2.853 136 HA ASN 21 HA ASN 21 -12.590 11.622 1.201 137 1HB ASN 21 1HB ASN 21 -10.026 10.925 0.632 138 2HB ASN 21 2HB ASN 21 -10.743 9.330 0.519 139 1HD2 ASN 21 1HD2 ASN 21 -11.119 8.815 -1.488 140 2HD2 ASN 21 2HD2 ASN 21 -11.783 9.824 -2.730 141 H LYS 22 H LYS 22 -12.748 8.932 -0.122 142 HA LYS 22 HA LYS 22 -14.066 7.416 2.021 143 1HB LYS 22 1HB LYS 22 -15.048 7.976 -0.789 144 2HB LYS 22 2HB LYS 22 -15.720 6.723 0.235 145 1HG LYS 22 1HG LYS 22 -17.092 8.328 1.080 146 2HG LYS 22 2HG LYS 22 -15.690 8.932 1.942 147 1HD LYS 22 1HD LYS 22 -15.292 10.076 -0.536 148 2HD LYS 22 2HD LYS 22 -17.043 10.025 -0.484 149 1HE LYS 22 1HE LYS 22 -17.182 11.569 1.232 150 2HE LYS 22 2HE LYS 22 -15.738 10.978 2.029 151 1HZ LYS 22 1HZ LYS 22 -15.715 13.224 0.807 152 2HZ LYS 22 2HZ LYS 22 -14.411 12.247 0.706 153 3HZ LYS 22 3HZ LYS 22 -15.470 12.325 -0.534 154 H THR 23 H THR 23 -12.596 7.294 -1.291 155 HA THR 23 HA THR 23 -11.665 4.582 -0.603 156 HB THR 23 HB THR 23 -12.063 3.961 -2.868 157 HG1 THR 23 1HG THR 23 -12.273 5.713 -4.466 158 1HG2 THR 23 1HG2 THR 23 -14.272 4.521 -1.737 159 2HG2 THR 23 2HG2 THR 23 -14.143 6.163 -2.411 160 3HG2 THR 23 3HG2 THR 23 -14.303 4.765 -3.500 161 H LEU 24 H LEU 24 -10.166 6.563 0.457 162 HA LEU 24 HA LEU 24 -7.755 6.271 -1.091 163 1HB LEU 24 1HB LEU 24 -8.902 8.999 -0.486 164 2HB LEU 24 2HB LEU 24 -7.252 8.704 -0.997 165 HG LEU 24 HG LEU 24 -9.679 7.935 -2.638 166 1HD1 LEU 24 1HD1 LEU 24 -9.714 9.951 -3.681 167 2HD1 LEU 24 2HD1 LEU 24 -9.128 10.489 -2.089 168 3HD1 LEU 24 3HD1 LEU 24 -7.977 10.246 -3.425 169 1HD2 LEU 24 1HD2 LEU 24 -7.769 6.615 -3.231 170 2HD2 LEU 24 2HD2 LEU 24 -8.009 7.848 -4.492 171 3HD2 LEU 24 3HD2 LEU 24 -6.722 8.053 -3.280 172 H LEU 25 H LEU 25 -5.980 6.080 0.240 173 HA LEU 25 HA LEU 25 -6.568 6.374 3.093 174 1HB LEU 25 1HB LEU 25 -5.870 4.154 2.005 175 2HB LEU 25 2HB LEU 25 -4.270 4.859 1.879 176 HG LEU 25 HG LEU 25 -4.243 5.185 4.346 177 1HD1 LEU 25 1HD1 LEU 25 -7.002 4.736 4.143 178 2HD1 LEU 25 2HD1 LEU 25 -6.351 3.318 5.000 179 3HD1 LEU 25 3HD1 LEU 25 -6.042 4.956 5.626 180 1HD2 LEU 25 1HD2 LEU 25 -3.057 3.310 3.703 181 2HD2 LEU 25 2HD2 LEU 25 -4.226 2.631 4.860 182 3HD2 LEU 25 3HD2 LEU 25 -4.505 2.461 3.110 183 H SER 26 H SER 26 -4.989 7.383 4.498 184 HA SER 26 HA SER 26 -3.313 9.243 3.000 185 1HB SER 26 1HB SER 26 -3.857 10.953 4.476 186 2HB SER 26 2HB SER 26 -5.359 10.049 4.480 187 HG SER 26 HG SER 26 -4.522 8.908 6.419 188 H PHE 27 H PHE 27 -1.122 9.059 3.344 189 HA PHE 27 HA PHE 27 -0.107 8.327 5.902 190 1HB PHE 27 1HB PHE 27 1.093 6.275 4.852 191 2HB PHE 27 2HB PHE 27 -0.625 6.070 5.131 192 HD1 PHE 27 1HD PHE 27 1.758 7.125 2.464 193 HD2 PHE 27 2HD PHE 27 -1.973 5.330 3.397 194 HE1 PHE 27 1HE PHE 27 1.434 6.540 0.045 195 HE2 PHE 27 2HE PHE 27 -2.296 4.745 0.977 196 HZ PHE 27 HZ PHE 27 -0.589 5.357 -0.670 197 H ALA 28 H ALA 28 2.386 8.145 5.793 198 HA ALA 28 HA ALA 28 3.300 10.039 3.744 199 1HB ALA 28 1HB ALA 28 3.375 10.601 6.260 200 2HB ALA 28 2HB ALA 28 4.672 9.387 6.368 201 3HB ALA 28 3HB ALA 28 4.878 10.820 5.334 202 H GLN 29 H GLN 29 5.507 9.690 2.874 203 HA GLN 29 HA GLN 29 5.798 7.164 1.886 204 1HB GLN 29 1HB GLN 29 6.825 9.154 0.868 205 2HB GLN 29 2HB GLN 29 7.889 9.355 2.245 206 1HG GLN 29 1HG GLN 29 8.589 6.833 1.661 207 2HG GLN 29 2HG GLN 29 7.969 7.253 0.076 208 1HE2 GLN 29 1HE2 GLN 29 8.894 8.957 -1.101 209 2HE2 GLN 29 2HE2 GLN 29 10.505 9.518 -0.805 210 H GLY 30 H GLY 30 6.946 5.305 2.477 211 1HA GLY 30 1HA GLY 30 8.633 4.201 3.697 212 2HA GLY 30 2HA GLY 30 8.564 5.443 4.931 213 H ASP 31 H ASP 31 5.621 5.585 5.103 214 HA ASP 31 HA ASP 31 5.142 3.926 7.128 215 1HB ASP 31 1HB ASP 31 3.257 4.962 4.972 216 2HB ASP 31 2HB ASP 31 2.655 4.072 6.356 217 H VAL 32 H VAL 32 3.904 1.853 7.328 218 HA VAL 32 HA VAL 32 4.143 0.212 4.900 219 HB VAL 32 HB VAL 32 4.557 -0.427 7.818 220 1HG1 VAL 32 1HG1 VAL 32 3.903 -2.534 7.511 221 2HG1 VAL 32 2HG1 VAL 32 3.399 -2.135 5.851 222 3HG1 VAL 32 3HG1 VAL 32 5.054 -2.710 6.165 223 1HG2 VAL 32 1HG2 VAL 32 6.701 -1.441 6.679 224 2HG2 VAL 32 2HG2 VAL 32 6.288 -0.312 5.366 225 3HG2 VAL 32 3HG2 VAL 32 6.595 0.305 7.007 226 H LEU 33 H LEU 33 2.333 -0.861 4.181 227 HA LEU 33 HA LEU 33 -0.027 -0.667 5.920 228 1HB LEU 33 1HB LEU 33 -0.295 -0.627 2.951 229 2HB LEU 33 2HB LEU 33 -1.367 0.004 4.185 230 HG LEU 33 HG LEU 33 1.327 1.271 3.749 231 1HD1 LEU 33 1HD1 LEU 33 0.483 2.720 2.048 232 2HD1 LEU 33 2HD1 LEU 33 0.184 1.044 1.530 233 3HD1 LEU 33 3HD1 LEU 33 -1.150 2.026 2.181 234 1HD2 LEU 33 1HD2 LEU 33 0.159 3.280 4.551 235 2HD2 LEU 33 2HD2 LEU 33 -1.341 2.336 4.716 236 3HD2 LEU 33 3HD2 LEU 33 0.074 1.941 5.721 237 H THR 34 H THR 34 -1.321 -2.503 6.085 238 HA THR 34 HA THR 34 -0.086 -4.921 5.003 239 HB THR 34 HB THR 34 -2.212 -4.433 7.156 240 HG1 THR 34 1HG THR 34 -0.015 -3.729 7.659 241 1HG2 THR 34 1HG2 THR 34 -1.538 -6.849 5.784 242 2HG2 THR 34 2HG2 THR 34 -0.676 -6.908 7.340 243 3HG2 THR 34 3HG2 THR 34 -2.444 -6.701 7.309 244 H LEU 35 H LEU 35 -0.848 -5.962 3.277 245 HA LEU 35 HA LEU 35 -3.105 -4.949 1.918 246 1HB LEU 35 1HB LEU 35 -1.323 -7.347 1.559 247 2HB LEU 35 2HB LEU 35 -2.715 -7.073 0.530 248 HG LEU 35 HG LEU 35 -1.225 -4.642 0.601 249 1HD1 LEU 35 1HD1 LEU 35 0.883 -5.281 0.922 250 2HD1 LEU 35 2HD1 LEU 35 0.462 -7.008 0.816 251 3HD1 LEU 35 3HD1 LEU 35 0.782 -6.077 -0.667 252 1HD2 LEU 35 1HD2 LEU 35 -2.494 -5.032 -1.291 253 2HD2 LEU 35 2HD2 LEU 35 -0.846 -5.372 -1.869 254 3HD2 LEU 35 3HD2 LEU 35 -1.938 -6.715 -1.452 255 H LEU 36 H LEU 36 -5.163 -5.945 1.534 256 HA LEU 36 HA LEU 36 -5.870 -7.884 3.626 257 1HB LEU 36 1HB LEU 36 -7.591 -5.704 2.437 258 2HB LEU 36 2HB LEU 36 -8.096 -6.878 3.636 259 HG LEU 36 HG LEU 36 -5.982 -4.740 4.024 260 1HD1 LEU 36 1HD1 LEU 36 -7.828 -4.085 5.813 261 2HD1 LEU 36 2HD1 LEU 36 -7.898 -3.508 4.130 262 3HD1 LEU 36 3HD1 LEU 36 -8.899 -4.889 4.639 263 1HD2 LEU 36 1HD2 LEU 36 -6.550 -7.176 5.505 264 2HD2 LEU 36 2HD2 LEU 36 -5.204 -6.022 5.667 265 3HD2 LEU 36 3HD2 LEU 36 -6.740 -5.724 6.516 266 H ILE 37 H ILE 37 -6.378 -6.738 0.249 267 HA ILE 37 HA ILE 37 -7.501 -9.389 -0.331 268 HB ILE 37 HB ILE 37 -8.600 -8.353 -2.235 269 1HG1 ILE 37 1HG1 ILE 37 -8.066 -5.579 -1.342 270 2HG1 ILE 37 2HG1 ILE 37 -6.714 -6.396 -2.102 271 1HG2 ILE 37 1HG2 ILE 37 -9.636 -6.479 -0.311 272 2HG2 ILE 37 2HG2 ILE 37 -10.344 -7.996 -0.914 273 3HG2 ILE 37 3HG2 ILE 37 -9.245 -8.021 0.486 274 1HD1 ILE 37 1HD1 ILE 37 -7.761 -5.566 -3.998 275 2HD1 ILE 37 2HD1 ILE 37 -8.608 -7.126 -3.870 276 3HD1 ILE 37 3HD1 ILE 37 -9.381 -5.642 -3.264 277 HA PRO 38 HA PRO 38 -3.914 -10.052 -2.659 278 1HB PRO 38 1HB PRO 38 -4.664 -12.313 -3.997 279 2HB PRO 38 2HB PRO 38 -4.062 -12.329 -2.352 280 1HG PRO 38 1HG PRO 38 -6.838 -12.659 -3.312 281 2HG PRO 38 2HG PRO 38 -6.157 -13.087 -1.755 282 1HD PRO 38 1HD PRO 38 -7.804 -10.813 -2.342 283 2HD PRO 38 2HD PRO 38 -7.028 -11.178 -0.814 284 H GLU 39 H GLU 39 -6.892 -9.235 -3.971 285 HA GLU 39 HA GLU 39 -5.751 -9.102 -6.626 286 1HB GLU 39 1HB GLU 39 -8.489 -9.191 -5.479 287 2HB GLU 39 2HB GLU 39 -8.320 -8.101 -6.840 288 1HG GLU 39 1HG GLU 39 -8.792 -10.106 -7.947 289 2HG GLU 39 2HG GLU 39 -7.040 -10.125 -7.974 290 H GLU 40 H GLU 40 -6.499 -6.970 -7.892 291 HA GLU 40 HA GLU 40 -6.150 -4.711 -6.090 292 1HB GLU 40 1HB GLU 40 -4.659 -3.671 -7.877 293 2HB GLU 40 2HB GLU 40 -3.955 -5.017 -7.002 294 1HG GLU 40 1HG GLU 40 -5.417 -5.420 -9.644 295 2HG GLU 40 2HG GLU 40 -3.713 -5.014 -9.590 296 H LYS 41 H LYS 41 -7.062 -2.677 -6.891 297 HA LYS 41 HA LYS 41 -9.377 -3.162 -8.516 298 1HB LYS 41 1HB LYS 41 -8.629 -1.361 -6.458 299 2HB LYS 41 2HB LYS 41 -8.953 -0.383 -7.875 300 1HG LYS 41 1HG LYS 41 -10.898 -2.601 -7.311 301 2HG LYS 41 2HG LYS 41 -10.910 -1.251 -6.193 302 1HD LYS 41 1HD LYS 41 -10.846 0.117 -8.566 303 2HD LYS 41 2HD LYS 41 -11.683 -1.332 -9.085 304 1HE LYS 41 1HE LYS 41 -12.518 0.298 -6.640 305 2HE LYS 41 2HE LYS 41 -13.195 0.546 -8.238 306 1HZ LYS 41 1HZ LYS 41 -14.151 -1.180 -6.477 307 2HZ LYS 41 2HZ LYS 41 -14.370 -1.326 -8.088 308 3HZ LYS 41 3HZ LYS 41 -13.192 -2.178 -7.345 309 H ASP 42 H ASP 42 -7.778 -3.876 -10.335 310 HA ASP 42 HA ASP 42 -7.020 -3.512 -12.333 311 1HB ASP 42 1HB ASP 42 -8.689 -1.058 -11.889 312 2HB ASP 42 2HB ASP 42 -7.555 -0.983 -13.223 313 H GLY 43 H GLY 43 -5.453 -2.763 -9.884 314 1HA GLY 43 1HA GLY 43 -3.070 -2.109 -10.514 315 2HA GLY 43 2HA GLY 43 -3.782 -0.556 -10.902 316 H TRP 44 H TRP 44 -5.619 -0.054 -8.921 317 HA TRP 44 HA TRP 44 -3.972 0.678 -6.767 318 1HB TRP 44 1HB TRP 44 -6.981 0.631 -7.052 319 2HB TRP 44 2HB TRP 44 -6.121 1.359 -5.710 320 HD1 TRP 44 HD TRP 44 -6.074 1.767 -9.608 321 HE1 TRP 44 1HE TRP 44 -5.764 4.305 -10.261 322 HE3 TRP 44 3HE TRP 44 -5.657 3.485 -4.841 323 HZ2 TRP 44 2HZ TRP 44 -5.388 6.693 -8.744 324 HZ3 TRP 44 3HZ TRP 44 -5.320 5.933 -4.514 325 HH2 TRP 44 HH TRP 44 -5.184 7.518 -6.370 326 H LEU 45 H LEU 45 -3.801 -0.208 -4.652 327 HA LEU 45 HA LEU 45 -4.998 -2.876 -4.368 328 1HB LEU 45 1HB LEU 45 -2.201 -1.937 -4.023 329 2HB LEU 45 2HB LEU 45 -2.805 -3.090 -2.849 330 HG LEU 45 HG LEU 45 -2.929 -3.557 -5.837 331 1HD1 LEU 45 1HD1 LEU 45 -0.894 -4.926 -4.132 332 2HD1 LEU 45 2HD1 LEU 45 -0.865 -4.534 -5.868 333 3HD1 LEU 45 3HD1 LEU 45 -0.577 -3.257 -4.662 334 1HD2 LEU 45 1HD2 LEU 45 -3.681 -5.115 -3.422 335 2HD2 LEU 45 2HD2 LEU 45 -4.388 -5.101 -5.055 336 3HD2 LEU 45 3HD2 LEU 45 -2.888 -6.007 -4.743 337 H TYR 46 H TYR 46 -5.636 -3.484 -2.211 338 HA TYR 46 HA TYR 46 -6.123 -1.120 -0.538 339 1HB TYR 46 1HB TYR 46 -7.951 -2.717 -1.610 340 2HB TYR 46 2HB TYR 46 -7.391 -3.918 -0.463 341 HD1 TYR 46 1HD TYR 46 -8.466 -4.076 1.593 342 HD2 TYR 46 2HD TYR 46 -8.592 -0.361 -0.526 343 HE1 TYR 46 1HE TYR 46 -10.033 -3.118 3.351 344 HE2 TYR 46 2HE TYR 46 -10.158 0.584 1.240 345 HH TYR 46 HH TYR 46 -10.924 -1.260 4.143 346 H GLY 47 H GLY 47 -5.732 -1.200 1.723 347 1HA GLY 47 1HA GLY 47 -4.712 -3.566 2.972 348 2HA GLY 47 2HA GLY 47 -3.439 -2.425 2.587 349 H GLU 48 H GLU 48 -3.572 -2.762 5.185 350 HA GLU 48 HA GLU 48 -5.366 -0.694 6.183 351 1HB GLU 48 1HB GLU 48 -5.673 -2.930 7.205 352 2HB GLU 48 2HB GLU 48 -3.982 -2.974 7.664 353 1HG GLU 48 1HG GLU 48 -4.240 -1.225 9.270 354 2HG GLU 48 2HG GLU 48 -5.751 -0.678 8.570 355 H HIS 49 H HIS 49 -4.519 0.914 7.683 356 HA HIS 49 HA HIS 49 -1.740 1.481 7.116 357 1HB HIS 49 1HB HIS 49 -3.663 3.151 6.904 358 2HB HIS 49 2HB HIS 49 -3.702 3.190 8.655 359 HD1 HIS 49 1HD HIS 49 -0.719 3.299 9.363 360 HD2 HIS 49 2HD HIS 49 -2.439 5.501 6.234 361 HE1 HIS 49 1HE HIS 49 0.836 5.278 8.942 362 H ASP 50 H ASP 50 -0.083 1.489 8.632 363 HA ASP 50 HA ASP 50 -0.709 0.076 11.044 364 1HB ASP 50 1HB ASP 50 1.353 -0.265 9.481 365 2HB ASP 50 2HB ASP 50 2.001 1.189 10.214 366 H THR 51 H THR 51 -1.930 2.616 11.051 367 HA THR 51 HA THR 51 -0.588 3.867 13.278 368 HB THR 51 HB THR 51 -0.971 5.269 10.583 369 HG1 THR 51 1HG THR 51 1.058 4.251 10.735 370 1HG2 THR 51 1HG2 THR 51 -0.415 6.326 13.384 371 2HG2 THR 51 2HG2 THR 51 0.260 7.146 11.956 372 3HG2 THR 51 3HG2 THR 51 -1.503 6.996 12.145 373 H THR 52 H THR 52 -3.026 5.096 10.916 374 HA THR 52 HA THR 52 -4.796 5.798 13.004 375 HB THR 52 HB THR 52 -6.195 6.532 11.162 376 HG1 THR 52 1HG THR 52 -4.440 4.804 9.568 377 1HG2 THR 52 1HG2 THR 52 -3.659 7.445 11.278 378 2HG2 THR 52 2HG2 THR 52 -3.535 6.577 9.729 379 3HG2 THR 52 3HG2 THR 52 -4.728 7.883 9.924 380 H LYS 53 H LYS 53 -4.130 2.789 11.390 381 HA LYS 53 HA LYS 53 -4.936 0.763 11.809 382 1HB LYS 53 1HB LYS 53 -5.928 2.250 14.042 383 2HB LYS 53 2HB LYS 53 -7.206 1.184 13.496 384 1HG LYS 53 1HG LYS 53 -5.906 -0.104 15.052 385 2HG LYS 53 2HG LYS 53 -5.489 -0.715 13.464 386 1HD LYS 53 1HD LYS 53 -3.311 -0.278 13.909 387 2HD LYS 53 2HD LYS 53 -3.687 1.434 13.919 388 1HE LYS 53 1HE LYS 53 -4.336 1.230 16.362 389 2HE LYS 53 2HE LYS 53 -3.827 -0.446 16.325 390 1HZ LYS 53 1HZ LYS 53 -1.652 0.155 16.062 391 2HZ LYS 53 2HZ LYS 53 -1.983 1.626 15.434 392 3HZ LYS 53 3HZ LYS 53 -2.180 1.357 17.033 393 H ALA 54 H ALA 54 -6.346 3.275 10.220 394 HA ALA 54 HA ALA 54 -8.768 1.832 9.487 395 1HB ALA 54 1HB ALA 54 -9.485 3.887 8.536 396 2HB ALA 54 2HB ALA 54 -8.648 4.344 10.039 397 3HB ALA 54 3HB ALA 54 -7.826 4.530 8.471 398 H ARG 55 H ARG 55 -9.269 1.512 7.155 399 HA ARG 55 HA ARG 55 -6.793 1.098 5.679 400 1HB ARG 55 1HB ARG 55 -9.350 -0.521 5.290 401 2HB ARG 55 2HB ARG 55 -7.746 -0.906 4.698 402 1HG ARG 55 1HG ARG 55 -7.373 -2.105 6.583 403 2HG ARG 55 2HG ARG 55 -7.454 -0.623 7.514 404 1HD ARG 55 1HD ARG 55 -10.160 -1.263 6.967 405 2HD ARG 55 2HD ARG 55 -9.411 -2.804 7.333 406 HE ARG 55 HE ARG 55 -8.492 -0.952 9.281 407 1HH1 ARG 55 2HH2 ARG 55 -11.517 -2.456 8.295 408 2HH1 ARG 55 1HH2 ARG 55 -12.220 -2.376 9.876 409 1HH2 ARG 55 2HH1 ARG 55 -9.420 -0.846 11.367 410 2HH2 ARG 55 1HH1 ARG 55 -11.019 -1.454 11.635 411 H GLY 56 H GLY 56 -6.736 1.853 3.522 412 1HA GLY 56 1HA GLY 56 -9.249 2.972 2.448 413 2HA GLY 56 2HA GLY 56 -7.780 3.925 2.497 414 H TRP 57 H TRP 57 -8.201 3.982 0.070 415 HA TRP 57 HA TRP 57 -7.188 1.527 -1.191 416 1HB TRP 57 1HB TRP 57 -9.072 3.663 -2.169 417 2HB TRP 57 2HB TRP 57 -8.226 2.599 -3.276 418 HD1 TRP 57 HD TRP 57 -11.128 2.595 -0.795 419 HE1 TRP 57 1HE TRP 57 -12.500 0.343 -0.897 420 HE3 TRP 57 3HE TRP 57 -7.838 0.111 -3.772 421 HZ2 TRP 57 2HZ TRP 57 -12.066 -2.167 -2.183 422 HZ3 TRP 57 3HZ TRP 57 -8.388 -2.236 -4.405 423 HH2 TRP 57 HH TRP 57 -10.418 -3.376 -3.660 424 H PHE 58 H PHE 58 -5.280 1.677 -2.373 425 HA PHE 58 HA PHE 58 -4.256 4.347 -2.924 426 1HB PHE 58 1HB PHE 58 -2.086 3.691 -1.880 427 2HB PHE 58 2HB PHE 58 -3.365 3.539 -0.691 428 HD1 PHE 58 1HD PHE 58 -3.880 1.443 0.291 429 HD2 PHE 58 2HD PHE 58 -1.204 1.626 -2.998 430 HE1 PHE 58 1HE PHE 58 -3.224 -0.946 0.692 431 HE2 PHE 58 2HE PHE 58 -0.548 -0.764 -2.597 432 HZ PHE 58 HZ PHE 58 -1.566 -2.021 -0.757 433 HA PRO 59 HA PRO 59 -2.929 2.370 -6.543 434 1HB PRO 59 1HB PRO 59 -0.991 4.086 -7.418 435 2HB PRO 59 2HB PRO 59 -2.703 4.377 -7.648 436 1HG PRO 59 1HG PRO 59 -0.846 5.653 -5.734 437 2HG PRO 59 2HG PRO 59 -2.419 6.207 -6.272 438 1HD PRO 59 1HD PRO 59 -1.801 4.973 -3.757 439 2HD PRO 59 2HD PRO 59 -3.391 5.421 -4.342 440 H SER 60 H SER 60 -1.948 0.471 -6.764 441 HA SER 60 HA SER 60 -0.019 -0.342 -5.061 442 1HB SER 60 1HB SER 60 0.407 -2.168 -6.632 443 2HB SER 60 2HB SER 60 -1.308 -1.811 -6.609 444 HG SER 60 HG SER 60 -0.854 -1.915 -8.769 445 H SER 61 H SER 61 0.256 1.826 -7.805 446 HA SER 61 HA SER 61 2.978 1.385 -8.316 447 1HB SER 61 1HB SER 61 0.847 3.047 -9.322 448 2HB SER 61 2HB SER 61 2.225 4.080 -8.996 449 HG SER 61 HG SER 61 1.861 2.463 -11.105 450 H TYR 62 H TYR 62 1.125 3.344 -6.001 451 HA TYR 62 HA TYR 62 3.434 4.916 -5.257 452 1HB TYR 62 1HB TYR 62 0.476 4.625 -4.648 453 2HB TYR 62 2HB TYR 62 1.451 5.341 -3.380 454 HD1 TYR 62 1HD TYR 62 2.550 5.940 -6.795 455 HD2 TYR 62 2HD TYR 62 0.045 7.396 -3.647 456 HE1 TYR 62 1HE TYR 62 2.400 8.200 -7.950 457 HE2 TYR 62 2HE TYR 62 -0.098 9.651 -4.813 458 HH TYR 62 HH TYR 62 0.676 10.893 -6.424 459 H THR 63 H THR 63 2.945 1.765 -4.873 460 HA THR 63 HA THR 63 4.211 1.758 -2.252 461 HB THR 63 HB THR 63 2.531 -0.185 -1.679 462 HG1 THR 63 1HG THR 63 1.290 -0.401 -3.527 463 1HG2 THR 63 1HG2 THR 63 1.421 2.661 -1.914 464 2HG2 THR 63 2HG2 THR 63 0.817 1.382 -0.833 465 3HG2 THR 63 3HG2 THR 63 2.430 2.086 -0.565 466 H LYS 64 H LYS 64 5.407 -0.182 -1.802 467 HA LYS 64 HA LYS 64 5.740 -1.898 -4.152 468 1HB LYS 64 1HB LYS 64 8.014 -0.667 -2.566 469 2HB LYS 64 2HB LYS 64 8.174 -1.813 -3.881 470 1HG LYS 64 1HG LYS 64 6.559 0.147 -5.022 471 2HG LYS 64 2HG LYS 64 7.596 1.097 -3.975 472 1HD LYS 64 1HD LYS 64 8.862 0.997 -5.956 473 2HD LYS 64 2HD LYS 64 9.565 -0.300 -5.011 474 1HE LYS 64 1HE LYS 64 7.239 -1.227 -6.564 475 2HE LYS 64 2HE LYS 64 8.467 -0.522 -7.597 476 1HZ LYS 64 1HZ LYS 64 9.963 -2.097 -7.006 477 2HZ LYS 64 2HZ LYS 64 9.324 -2.364 -5.527 478 3HZ LYS 64 3HZ LYS 64 8.600 -2.984 -6.853 479 H LEU 65 H LEU 65 6.716 -4.025 -3.612 480 HA LEU 65 HA LEU 65 5.561 -4.992 -1.189 481 1HB LEU 65 1HB LEU 65 6.997 -6.178 -3.532 482 2HB LEU 65 2HB LEU 65 6.809 -7.126 -2.070 483 HG LEU 65 HG LEU 65 4.348 -5.833 -3.131 484 1HD1 LEU 65 1HD1 LEU 65 5.610 -6.674 -5.154 485 2HD1 LEU 65 2HD1 LEU 65 5.436 -8.311 -4.478 486 3HD1 LEU 65 3HD1 LEU 65 3.989 -7.365 -4.902 487 1HD2 LEU 65 1HD2 LEU 65 5.121 -8.191 -1.525 488 2HD2 LEU 65 2HD2 LEU 65 3.699 -7.125 -1.407 489 3HD2 LEU 65 3HD2 LEU 65 3.739 -8.425 -2.623 490 H LEU 66 H LEU 66 6.534 -5.477 0.745 491 HA LEU 66 HA LEU 66 8.955 -4.244 1.351 492 1HB LEU 66 1HB LEU 66 7.368 -6.377 2.779 493 2HB LEU 66 2HB LEU 66 8.774 -5.587 3.465 494 HG LEU 66 HG LEU 66 6.009 -4.606 3.140 495 1HD1 LEU 66 1HD1 LEU 66 7.976 -4.876 5.183 496 2HD1 LEU 66 2HD1 LEU 66 7.544 -3.154 5.053 497 3HD1 LEU 66 3HD1 LEU 66 6.275 -4.372 5.327 498 1HD2 LEU 66 1HD2 LEU 66 7.249 -3.197 1.496 499 2HD2 LEU 66 2HD2 LEU 66 6.543 -2.288 2.854 500 3HD2 LEU 66 3HD2 LEU 66 8.288 -2.638 2.829 501 H SER 67 H SER 67 10.789 -5.657 2.523 502 HA SER 67 HA SER 67 11.287 -8.066 1.039 503 1HB SER 67 1HB SER 67 12.834 -5.512 0.668 504 2HB SER 67 2HB SER 67 13.737 -7.014 0.672 505 HG SER 67 HG SER 67 12.190 -5.946 -1.318 506 H GLY 68 H GLY 68 11.229 -9.185 3.045 507 1HA GLY 68 1HA GLY 68 13.366 -8.432 4.950 508 2HA GLY 68 2HA GLY 68 11.797 -9.041 5.438 509 HA PRO 69 HA PRO 69 14.280 -12.749 5.198 510 1HB PRO 69 1HB PRO 69 13.158 -14.016 7.344 511 2HB PRO 69 2HB PRO 69 14.569 -12.984 7.470 512 1HG PRO 69 1HG PRO 69 11.779 -12.415 8.266 513 2HG PRO 69 2HG PRO 69 13.249 -11.597 8.757 514 1HD PRO 69 1HD PRO 69 11.323 -10.664 6.848 515 2HD PRO 69 2HD PRO 69 12.849 -9.904 7.254 516 H SER 70 H SER 70 12.759 -12.551 3.166 517 HA SER 70 HA SER 70 10.381 -13.731 3.055 518 1HB SER 70 1HB SER 70 12.683 -14.071 1.083 519 2HB SER 70 2HB SER 70 11.016 -14.465 0.716 520 HG SER 70 HG SER 70 10.947 -11.982 1.711 521 H SER 71 H SER 71 13.532 -15.510 2.600 522 HA SER 71 HA SER 71 12.172 -17.838 3.702 523 1HB SER 71 1HB SER 71 14.079 -17.782 1.321 524 2HB SER 71 2HB SER 71 13.529 -19.251 2.103 525 HG SER 71 HG SER 71 11.887 -19.137 0.734 526 H GLY 72 H GLY 72 13.145 -18.125 5.684 527 1HA GLY 72 1HA GLY 72 16.044 -18.415 5.751 528 2HA GLY 72 2HA GLY 72 15.370 -17.126 6.728 Start of MODEL 8 1 1H GLY 1 H GLY 1 3.690 -18.955 10.350 2 1HA GLY 1 1HA GLY 1 3.724 -19.411 13.006 3 2HA GLY 1 2HA GLY 1 3.048 -17.796 12.921 4 H SER 2 H SER 2 0.934 -17.458 12.134 5 HA SER 2 HA SER 2 -0.841 -19.488 12.441 6 1HB SER 2 1HB SER 2 -1.456 -17.100 12.444 7 2HB SER 2 2HB SER 2 -1.091 -16.972 10.735 8 HG SER 2 HG SER 2 -3.090 -17.600 10.342 9 H SER 3 H SER 3 -1.282 -21.304 11.249 10 HA SER 3 HA SER 3 0.028 -21.974 8.990 11 1HB SER 3 1HB SER 3 -1.593 -23.317 10.598 12 2HB SER 3 2HB SER 3 -2.816 -22.918 9.409 13 HG SER 3 HG SER 3 -1.033 -24.914 9.298 14 H GLY 4 H GLY 4 0.104 -20.815 7.091 15 1HA GLY 4 1HA GLY 4 -0.592 -19.819 5.200 16 2HA GLY 4 2HA GLY 4 -2.162 -20.558 5.444 17 H SER 5 H SER 5 -1.002 -17.682 4.744 18 HA SER 5 HA SER 5 -3.173 -16.311 5.794 19 1HB SER 5 1HB SER 5 -1.723 -16.495 7.887 20 2HB SER 5 2HB SER 5 -0.526 -15.506 7.074 21 HG SER 5 HG SER 5 -3.181 -14.787 7.919 22 H SER 6 H SER 6 -3.565 -15.059 4.007 23 HA SER 6 HA SER 6 -1.267 -14.131 2.518 24 1HB SER 6 1HB SER 6 -3.596 -15.258 1.665 25 2HB SER 6 2HB SER 6 -4.052 -13.569 1.571 26 HG SER 6 HG SER 6 -3.113 -13.824 -0.380 27 H GLY 7 H GLY 7 -0.486 -12.107 2.970 28 1HA GLY 7 1HA GLY 7 -2.128 -9.817 3.005 29 2HA GLY 7 2HA GLY 7 -1.760 -10.278 4.655 30 H GLN 8 H GLN 8 0.117 -10.342 1.534 31 HA GLN 8 HA GLN 8 2.556 -9.961 2.562 32 1HB GLN 8 1HB GLN 8 1.250 -9.494 -0.026 33 2HB GLN 8 2HB GLN 8 2.583 -8.385 0.228 34 1HG GLN 8 1HG GLN 8 3.345 -10.490 -0.863 35 2HG GLN 8 2HG GLN 8 4.119 -10.257 0.692 36 1HE2 GLN 8 1HE2 GLN 8 4.221 -11.958 1.926 37 2HE2 GLN 8 2HE2 GLN 8 3.126 -13.300 1.970 38 H LYS 9 H LYS 9 3.991 -7.861 2.272 39 HA LYS 9 HA LYS 9 2.462 -5.614 3.389 40 1HB LYS 9 1HB LYS 9 5.245 -6.580 4.106 41 2HB LYS 9 2HB LYS 9 4.564 -5.056 4.639 42 1HG LYS 9 1HG LYS 9 2.617 -7.126 5.161 43 2HG LYS 9 2HG LYS 9 4.165 -7.680 5.766 44 1HD LYS 9 1HD LYS 9 4.386 -5.323 6.860 45 2HD LYS 9 2HD LYS 9 2.679 -5.130 6.510 46 1HE LYS 9 1HE LYS 9 3.007 -5.998 8.808 47 2HE LYS 9 2HE LYS 9 2.145 -7.165 7.825 48 1HZ LYS 9 1HZ LYS 9 4.104 -7.956 9.196 49 2HZ LYS 9 2HZ LYS 9 4.013 -8.478 7.651 50 3HZ LYS 9 3HZ LYS 9 5.055 -7.286 8.049 51 H VAL 10 H VAL 10 2.955 -3.525 2.626 52 HA VAL 10 HA VAL 10 4.870 -3.455 0.404 53 HB VAL 10 HB VAL 10 3.250 -1.893 -0.718 54 1HG1 VAL 10 1HG1 VAL 10 2.769 -4.838 -0.345 55 2HG1 VAL 10 2HG1 VAL 10 1.656 -3.881 -1.353 56 3HG1 VAL 10 3HG1 VAL 10 3.387 -3.956 -1.762 57 1HG2 VAL 10 1HG2 VAL 10 1.363 -1.269 0.290 58 2HG2 VAL 10 2HG2 VAL 10 0.846 -2.967 0.428 59 3HG2 VAL 10 3HG2 VAL 10 1.823 -2.227 1.719 60 H LYS 11 H LYS 11 5.785 -1.299 0.007 61 HA LYS 11 HA LYS 11 5.546 0.419 2.378 62 1HB LYS 11 1HB LYS 11 7.647 -0.551 2.654 63 2HB LYS 11 2HB LYS 11 7.984 -0.587 0.935 64 1HG LYS 11 1HG LYS 11 8.235 1.856 0.870 65 2HG LYS 11 2HG LYS 11 7.706 1.999 2.534 66 1HD LYS 11 1HD LYS 11 9.987 0.132 2.179 67 2HD LYS 11 2HD LYS 11 10.353 1.778 1.701 68 1HE LYS 11 1HE LYS 11 10.223 2.581 3.856 69 2HE LYS 11 2HE LYS 11 8.856 1.564 4.266 70 1HZ LYS 11 1HZ LYS 11 10.226 -0.178 4.774 71 2HZ LYS 11 2HZ LYS 11 11.474 0.350 3.863 72 3HZ LYS 11 3HZ LYS 11 11.133 1.080 5.283 73 H THR 12 H THR 12 5.106 2.551 2.000 74 HA THR 12 HA THR 12 4.482 3.282 -0.707 75 HB THR 12 HB THR 12 3.477 5.207 0.362 76 HG1 THR 12 1HG THR 12 4.205 5.696 2.578 77 1HG2 THR 12 1HG2 THR 12 3.093 3.730 2.833 78 2HG2 THR 12 2HG2 THR 12 1.926 3.991 1.515 79 3HG2 THR 12 3HG2 THR 12 3.025 2.592 1.466 80 H ILE 13 H ILE 13 5.674 4.368 -2.155 81 HA ILE 13 HA ILE 13 8.298 5.259 -1.226 82 HB ILE 13 HB ILE 13 8.840 5.259 -3.655 83 1HG1 ILE 13 1HG1 ILE 13 6.153 3.890 -3.970 84 2HG1 ILE 13 2HG1 ILE 13 6.494 5.538 -4.459 85 1HG2 ILE 13 1HG2 ILE 13 9.311 3.368 -2.068 86 2HG2 ILE 13 2HG2 ILE 13 7.835 2.579 -2.674 87 3HG2 ILE 13 3HG2 ILE 13 9.188 2.907 -3.783 88 1HD1 ILE 13 1HD1 ILE 13 8.580 4.266 -5.682 89 2HD1 ILE 13 2HD1 ILE 13 7.361 2.969 -5.706 90 3HD1 ILE 13 3HD1 ILE 13 7.005 4.539 -6.464 91 H PHE 14 H PHE 14 5.167 6.424 -1.858 92 HA PHE 14 HA PHE 14 6.227 9.125 -1.970 93 1HB PHE 14 1HB PHE 14 4.075 7.956 -3.835 94 2HB PHE 14 2HB PHE 14 4.604 9.626 -3.841 95 HD1 PHE 14 1HD PHE 14 4.727 6.985 -5.823 96 HD2 PHE 14 2HD PHE 14 7.490 9.470 -3.774 97 HE1 PHE 14 1HE PHE 14 6.491 6.421 -7.517 98 HE2 PHE 14 2HE PHE 14 9.254 8.905 -5.468 99 HZ PHE 14 HZ PHE 14 8.734 7.387 -7.319 100 HA PRO 15 HA PRO 15 2.897 9.756 0.730 101 1HB PRO 15 1HB PRO 15 2.682 12.480 0.663 102 2HB PRO 15 2HB PRO 15 3.883 11.636 1.621 103 1HG PRO 15 1HG PRO 15 4.239 13.113 -0.915 104 2HG PRO 15 2HG PRO 15 5.451 12.639 0.258 105 1HD PRO 15 1HD PRO 15 4.931 11.391 -2.271 106 2HD PRO 15 2HD PRO 15 6.062 10.849 -1.047 107 H HIS 16 H HIS 16 0.666 9.966 0.930 108 HA HIS 16 HA HIS 16 -0.722 11.229 -1.206 109 1HB HIS 16 1HB HIS 16 -0.168 9.185 -2.372 110 2HB HIS 16 2HB HIS 16 -0.735 8.206 -1.033 111 HD1 HIS 16 1HD HIS 16 -3.066 7.340 -1.269 112 HD2 HIS 16 2HD HIS 16 -2.446 10.829 -3.513 113 HE1 HIS 16 1HE HIS 16 -5.225 7.748 -2.566 114 H THR 17 H THR 17 -1.314 12.372 0.820 115 HA THR 17 HA THR 17 -2.800 10.917 2.795 116 HB THR 17 HB THR 17 -2.369 13.907 2.279 117 HG1 THR 17 1HG THR 17 -0.597 13.501 3.691 118 1HG2 THR 17 1HG2 THR 17 -3.251 12.369 4.779 119 2HG2 THR 17 2HG2 THR 17 -2.830 14.098 4.735 120 3HG2 THR 17 3HG2 THR 17 -4.262 13.508 3.857 121 H ALA 18 H ALA 18 -4.969 10.672 3.055 122 HA ALA 18 HA ALA 18 -6.561 11.383 0.732 123 1HB ALA 18 1HB ALA 18 -8.257 9.925 1.934 124 2HB ALA 18 2HB ALA 18 -6.741 9.107 1.487 125 3HB ALA 18 3HB ALA 18 -7.012 9.621 3.169 126 H GLY 19 H GLY 19 -6.775 13.663 0.956 127 1HA GLY 19 1HA GLY 19 -7.728 14.781 3.438 128 2HA GLY 19 2HA GLY 19 -7.439 15.614 1.924 129 H ASN 20 H ASN 20 -9.180 16.207 0.675 130 HA ASN 20 HA ASN 20 -11.692 16.113 1.627 131 1HB ASN 20 1HB ASN 20 -10.411 17.002 -0.737 132 2HB ASN 20 2HB ASN 20 -11.661 15.921 -1.321 133 1HD2 ASN 20 1HD2 ASN 20 -13.517 16.821 -1.733 134 2HD2 ASN 20 2HD2 ASN 20 -14.209 18.214 -0.971 135 H ASN 21 H ASN 21 -10.044 13.849 -0.680 136 HA ASN 21 HA ASN 21 -12.102 12.312 -1.445 137 1HB ASN 21 1HB ASN 21 -9.281 11.434 -0.639 138 2HB ASN 21 2HB ASN 21 -10.390 10.406 -1.525 139 1HD2 ASN 21 1HD2 ASN 21 -7.961 12.666 -1.740 140 2HD2 ASN 21 2HD2 ASN 21 -8.114 13.146 -3.398 141 H LYS 22 H LYS 22 -12.263 9.783 -0.633 142 HA LYS 22 HA LYS 22 -12.243 9.722 2.287 143 1HB LYS 22 1HB LYS 22 -14.635 9.590 0.514 144 2HB LYS 22 2HB LYS 22 -14.576 8.459 1.851 145 1HG LYS 22 1HG LYS 22 -15.098 10.100 3.325 146 2HG LYS 22 2HG LYS 22 -13.711 11.044 2.820 147 1HD LYS 22 1HD LYS 22 -14.940 12.311 1.288 148 2HD LYS 22 2HD LYS 22 -16.095 11.028 0.984 149 1HE LYS 22 1HE LYS 22 -16.075 12.099 3.779 150 2HE LYS 22 2HE LYS 22 -16.626 13.219 2.550 151 1HZ LYS 22 1HZ LYS 22 -17.755 10.694 2.113 152 2HZ LYS 22 2HZ LYS 22 -18.041 11.153 3.654 153 3HZ LYS 22 3HZ LYS 22 -18.507 12.111 2.416 154 H THR 23 H THR 23 -12.722 7.953 -0.831 155 HA THR 23 HA THR 23 -12.001 5.453 0.423 156 HB THR 23 HB THR 23 -12.643 4.529 -1.697 157 HG1 THR 23 1HG THR 23 -12.449 5.864 -3.584 158 1HG2 THR 23 1HG2 THR 23 -14.789 5.373 -2.024 159 2HG2 THR 23 2HG2 THR 23 -14.431 6.203 -0.491 160 3HG2 THR 23 3HG2 THR 23 -14.226 7.061 -2.037 161 H LEU 24 H LEU 24 -9.954 7.060 1.060 162 HA LEU 24 HA LEU 24 -7.828 5.865 -0.490 163 1HB LEU 24 1HB LEU 24 -7.990 8.863 -0.161 164 2HB LEU 24 2HB LEU 24 -6.671 7.962 -0.881 165 HG LEU 24 HG LEU 24 -9.488 7.980 -1.994 166 1HD1 LEU 24 1HD1 LEU 24 -7.358 9.469 -3.412 167 2HD1 LEU 24 2HD1 LEU 24 -9.090 9.833 -3.214 168 3HD1 LEU 24 3HD1 LEU 24 -7.947 10.198 -1.898 169 1HD2 LEU 24 1HD2 LEU 24 -8.635 6.906 -3.893 170 2HD2 LEU 24 2HD2 LEU 24 -6.948 7.261 -3.453 171 3HD2 LEU 24 3HD2 LEU 24 -7.876 6.059 -2.523 172 H LEU 25 H LEU 25 -6.078 5.358 0.794 173 HA LEU 25 HA LEU 25 -6.465 5.801 3.614 174 1HB LEU 25 1HB LEU 25 -5.708 3.652 2.380 175 2HB LEU 25 2HB LEU 25 -4.127 4.408 2.346 176 HG LEU 25 HG LEU 25 -4.175 4.579 4.825 177 1HD1 LEU 25 1HD1 LEU 25 -6.919 4.079 4.515 178 2HD1 LEU 25 2HD1 LEU 25 -6.254 2.635 5.317 179 3HD1 LEU 25 3HD1 LEU 25 -6.006 4.246 6.033 180 1HD2 LEU 25 1HD2 LEU 25 -4.117 1.999 5.188 181 2HD2 LEU 25 2HD2 LEU 25 -4.344 1.928 3.424 182 3HD2 LEU 25 3HD2 LEU 25 -2.932 2.769 4.107 183 H SER 26 H SER 26 -5.312 7.169 4.937 184 HA SER 26 HA SER 26 -3.581 9.003 3.507 185 1HB SER 26 1HB SER 26 -3.972 10.556 5.329 186 2HB SER 26 2HB SER 26 -5.519 9.898 4.834 187 HG SER 26 HG SER 26 -5.480 9.803 7.085 188 H PHE 27 H PHE 27 -1.382 8.817 3.731 189 HA PHE 27 HA PHE 27 -0.266 8.086 6.263 190 1HB PHE 27 1HB PHE 27 0.961 6.110 5.218 191 2HB PHE 27 2HB PHE 27 -0.771 5.854 5.303 192 HD1 PHE 27 1HD PHE 27 1.823 7.156 2.957 193 HD2 PHE 27 2HD PHE 27 -1.887 5.145 3.405 194 HE1 PHE 27 1HE PHE 27 1.768 6.708 0.488 195 HE2 PHE 27 2HE PHE 27 -1.942 4.697 0.936 196 HZ PHE 27 HZ PHE 27 -0.114 5.483 -0.493 197 H ALA 28 H ALA 28 2.282 7.870 5.949 198 HA ALA 28 HA ALA 28 3.033 9.939 3.999 199 1HB ALA 28 1HB ALA 28 4.568 9.319 6.526 200 2HB ALA 28 2HB ALA 28 4.527 10.823 5.574 201 3HB ALA 28 3HB ALA 28 3.130 10.366 6.579 202 H GLN 29 H GLN 29 5.026 9.651 2.850 203 HA GLN 29 HA GLN 29 5.477 7.162 1.921 204 1HB GLN 29 1HB GLN 29 6.313 9.183 0.816 205 2HB GLN 29 2HB GLN 29 7.423 9.499 2.134 206 1HG GLN 29 1HG GLN 29 8.465 7.185 1.633 207 2HG GLN 29 2HG GLN 29 7.513 7.178 0.162 208 1HE2 GLN 29 1HE2 GLN 29 10.159 7.016 -0.074 209 2HE2 GLN 29 2HE2 GLN 29 10.860 8.478 -0.685 210 H GLY 30 H GLY 30 6.622 5.344 2.545 211 1HA GLY 30 1HA GLY 30 8.520 4.386 3.635 212 2HA GLY 30 2HA GLY 30 8.410 5.615 4.879 213 H ASP 31 H ASP 31 5.451 5.520 5.123 214 HA ASP 31 HA ASP 31 5.213 3.776 7.157 215 1HB ASP 31 1HB ASP 31 3.149 4.834 5.185 216 2HB ASP 31 2HB ASP 31 2.674 3.845 6.551 217 H VAL 32 H VAL 32 4.105 1.637 7.342 218 HA VAL 32 HA VAL 32 4.241 0.123 4.827 219 HB VAL 32 HB VAL 32 4.852 -0.638 7.682 220 1HG1 VAL 32 1HG1 VAL 32 3.738 -2.300 5.607 221 2HG1 VAL 32 2HG1 VAL 32 5.398 -2.828 5.975 222 3HG1 VAL 32 3HG1 VAL 32 4.187 -2.727 7.275 223 1HG2 VAL 32 1HG2 VAL 32 6.654 0.467 6.402 224 2HG2 VAL 32 2HG2 VAL 32 7.048 -1.225 6.792 225 3HG2 VAL 32 3HG2 VAL 32 6.521 -0.789 5.148 226 H LEU 33 H LEU 33 2.438 -1.005 4.173 227 HA LEU 33 HA LEU 33 0.182 -0.978 6.055 228 1HB LEU 33 1HB LEU 33 -0.252 -0.841 3.105 229 2HB LEU 33 2HB LEU 33 -1.290 -0.322 4.418 230 HG LEU 33 HG LEU 33 1.305 1.115 3.962 231 1HD1 LEU 33 1HD1 LEU 33 0.134 0.853 1.740 232 2HD1 LEU 33 2HD1 LEU 33 -1.207 1.801 2.425 233 3HD1 LEU 33 3HD1 LEU 33 0.412 2.527 2.278 234 1HD2 LEU 33 1HD2 LEU 33 0.129 1.752 5.930 235 2HD2 LEU 33 2HD2 LEU 33 -0.108 3.049 4.733 236 3HD2 LEU 33 3HD2 LEU 33 -1.413 1.880 5.049 237 H THR 34 H THR 34 -1.095 -2.855 6.152 238 HA THR 34 HA THR 34 0.213 -5.195 4.985 239 HB THR 34 HB THR 34 -1.932 -4.882 7.153 240 HG1 THR 34 1HG THR 34 0.061 -5.388 8.440 241 1HG2 THR 34 1HG2 THR 34 -1.035 -7.210 5.736 242 2HG2 THR 34 2HG2 THR 34 -0.229 -7.235 7.323 243 3HG2 THR 34 3HG2 THR 34 -2.005 -7.163 7.228 244 H LEU 35 H LEU 35 -0.530 -6.207 3.234 245 HA LEU 35 HA LEU 35 -2.889 -5.243 1.980 246 1HB LEU 35 1HB LEU 35 -0.934 -7.456 1.389 247 2HB LEU 35 2HB LEU 35 -2.364 -7.193 0.410 248 HG LEU 35 HG LEU 35 -1.036 -4.680 0.680 249 1HD1 LEU 35 1HD1 LEU 35 0.796 -6.976 0.523 250 2HD1 LEU 35 2HD1 LEU 35 1.038 -5.749 -0.744 251 3HD1 LEU 35 3HD1 LEU 35 1.102 -5.281 0.972 252 1HD2 LEU 35 1HD2 LEU 35 -2.302 -4.927 -1.220 253 2HD2 LEU 35 2HD2 LEU 35 -0.666 -5.201 -1.867 254 3HD2 LEU 35 3HD2 LEU 35 -1.731 -6.586 -1.524 255 H LEU 36 H LEU 36 -4.879 -6.344 1.610 256 HA LEU 36 HA LEU 36 -5.351 -8.496 3.554 257 1HB LEU 36 1HB LEU 36 -7.332 -6.459 2.533 258 2HB LEU 36 2HB LEU 36 -7.625 -7.698 3.737 259 HG LEU 36 HG LEU 36 -5.720 -5.361 4.049 260 1HD1 LEU 36 1HD1 LEU 36 -7.325 -4.191 5.146 261 2HD1 LEU 36 2HD1 LEU 36 -8.381 -5.123 4.057 262 3HD1 LEU 36 3HD1 LEU 36 -8.150 -5.651 5.741 263 1HD2 LEU 36 1HD2 LEU 36 -5.835 -7.848 5.434 264 2HD2 LEU 36 2HD2 LEU 36 -4.810 -6.430 5.763 265 3HD2 LEU 36 3HD2 LEU 36 -6.408 -6.572 6.535 266 H ILE 37 H ILE 37 -6.279 -7.137 0.326 267 HA ILE 37 HA ILE 37 -7.188 -9.815 -0.415 268 HB ILE 37 HB ILE 37 -8.238 -8.689 -2.319 269 1HG1 ILE 37 1HG1 ILE 37 -7.899 -5.967 -1.254 270 2HG1 ILE 37 2HG1 ILE 37 -6.419 -6.664 -1.884 271 1HG2 ILE 37 1HG2 ILE 37 -9.444 -6.991 -0.365 272 2HG2 ILE 37 2HG2 ILE 37 -10.018 -8.549 -1.008 273 3HG2 ILE 37 3HG2 ILE 37 -8.961 -8.512 0.424 274 1HD1 ILE 37 1HD1 ILE 37 -7.506 -5.575 -3.738 275 2HD1 ILE 37 2HD1 ILE 37 -7.739 -7.323 -3.981 276 3HD1 ILE 37 3HD1 ILE 37 -9.071 -6.328 -3.346 277 HA PRO 38 HA PRO 38 -3.552 -10.348 -2.701 278 1HB PRO 38 1HB PRO 38 -4.243 -12.587 -4.107 279 2HB PRO 38 2HB PRO 38 -3.659 -12.634 -2.455 280 1HG PRO 38 1HG PRO 38 -6.417 -12.993 -3.457 281 2HG PRO 38 2HG PRO 38 -5.745 -13.447 -1.903 282 1HD PRO 38 1HD PRO 38 -7.430 -11.191 -2.451 283 2HD PRO 38 2HD PRO 38 -6.664 -11.581 -0.924 284 H GLU 39 H GLU 39 -6.541 -9.585 -4.040 285 HA GLU 39 HA GLU 39 -5.372 -9.356 -6.673 286 1HB GLU 39 1HB GLU 39 -7.990 -9.895 -5.676 287 2HB GLU 39 2HB GLU 39 -8.091 -8.347 -6.491 288 1HG GLU 39 1HG GLU 39 -8.491 -9.938 -8.215 289 2HG GLU 39 2HG GLU 39 -6.824 -9.455 -8.457 290 H GLU 40 H GLU 40 -6.191 -7.200 -7.889 291 HA GLU 40 HA GLU 40 -5.740 -4.997 -6.032 292 1HB GLU 40 1HB GLU 40 -4.402 -3.868 -7.803 293 2HB GLU 40 2HB GLU 40 -3.672 -5.375 -7.287 294 1HG GLU 40 1HG GLU 40 -5.126 -6.388 -9.301 295 2HG GLU 40 2HG GLU 40 -5.074 -4.737 -9.885 296 H LYS 41 H LYS 41 -7.003 -3.127 -6.364 297 HA LYS 41 HA LYS 41 -9.353 -3.545 -7.933 298 1HB LYS 41 1HB LYS 41 -8.617 -2.021 -5.675 299 2HB LYS 41 2HB LYS 41 -9.052 -0.854 -6.907 300 1HG LYS 41 1HG LYS 41 -10.875 -3.212 -6.706 301 2HG LYS 41 2HG LYS 41 -10.869 -2.160 -5.305 302 1HD LYS 41 1HD LYS 41 -11.007 -0.260 -7.247 303 2HD LYS 41 2HD LYS 41 -11.762 -1.582 -8.114 304 1HE LYS 41 1HE LYS 41 -13.681 -0.931 -7.056 305 2HE LYS 41 2HE LYS 41 -13.031 -1.778 -5.666 306 1HZ LYS 41 1HZ LYS 41 -13.039 0.165 -4.659 307 2HZ LYS 41 2HZ LYS 41 -11.843 0.678 -5.646 308 3HZ LYS 41 3HZ LYS 41 -13.402 0.982 -6.025 309 H ASP 42 H ASP 42 -7.882 -3.863 -9.944 310 HA ASP 42 HA ASP 42 -7.166 -3.160 -11.867 311 1HB ASP 42 1HB ASP 42 -9.109 -0.940 -11.156 312 2HB ASP 42 2HB ASP 42 -8.197 -0.849 -12.650 313 H GLY 43 H GLY 43 -5.107 -2.824 -10.302 314 1HA GLY 43 1HA GLY 43 -3.134 -1.580 -10.577 315 2HA GLY 43 2HA GLY 43 -4.075 -0.130 -10.868 316 H TRP 44 H TRP 44 -5.943 -0.239 -8.716 317 HA TRP 44 HA TRP 44 -4.267 0.708 -6.612 318 1HB TRP 44 1HB TRP 44 -7.252 0.382 -6.909 319 2HB TRP 44 2HB TRP 44 -6.499 0.991 -5.448 320 HD1 TRP 44 HD TRP 44 -6.573 1.952 -9.239 321 HE1 TRP 44 1HE TRP 44 -6.430 4.571 -9.530 322 HE3 TRP 44 3HE TRP 44 -6.021 2.996 -4.294 323 HZ2 TRP 44 2HZ TRP 44 -6.109 6.737 -7.699 324 HZ3 TRP 44 3HZ TRP 44 -5.800 5.389 -3.630 325 HH2 TRP 44 HH TRP 44 -5.837 7.227 -5.241 326 H LEU 45 H LEU 45 -4.330 -0.165 -4.371 327 HA LEU 45 HA LEU 45 -5.103 -2.981 -4.247 328 1HB LEU 45 1HB LEU 45 -2.376 -1.852 -4.044 329 2HB LEU 45 2HB LEU 45 -2.812 -3.022 -2.814 330 HG LEU 45 HG LEU 45 -3.059 -3.539 -5.789 331 1HD1 LEU 45 1HD1 LEU 45 -0.694 -3.094 -4.909 332 2HD1 LEU 45 2HD1 LEU 45 -0.872 -4.626 -4.019 333 3HD1 LEU 45 3HD1 LEU 45 -0.977 -4.611 -5.796 334 1HD2 LEU 45 1HD2 LEU 45 -2.769 -5.821 -3.981 335 2HD2 LEU 45 2HD2 LEU 45 -4.240 -4.865 -3.680 336 3HD2 LEU 45 3HD2 LEU 45 -3.930 -5.534 -5.300 337 H TYR 46 H TYR 46 -5.575 -3.727 -2.086 338 HA TYR 46 HA TYR 46 -6.189 -1.478 -0.301 339 1HB TYR 46 1HB TYR 46 -7.872 -3.274 -1.374 340 2HB TYR 46 2HB TYR 46 -7.193 -4.371 -0.188 341 HD1 TYR 46 1HD TYR 46 -8.398 -4.630 1.770 342 HD2 TYR 46 2HD TYR 46 -8.560 -0.867 -0.260 343 HE1 TYR 46 1HE TYR 46 -10.036 -3.755 3.507 344 HE2 TYR 46 2HE TYR 46 -10.197 -0.005 1.484 345 HH TYR 46 HH TYR 46 -11.075 -0.385 3.468 346 H GLY 47 H GLY 47 -5.935 -1.820 2.041 347 1HA GLY 47 1HA GLY 47 -4.562 -4.044 3.101 348 2HA GLY 47 2HA GLY 47 -3.407 -2.778 2.733 349 H GLU 48 H GLU 48 -3.310 -3.111 5.274 350 HA GLU 48 HA GLU 48 -5.233 -1.235 6.415 351 1HB GLU 48 1HB GLU 48 -5.527 -3.505 7.330 352 2HB GLU 48 2HB GLU 48 -3.827 -3.592 7.746 353 1HG GLU 48 1HG GLU 48 -4.139 -1.590 9.264 354 2HG GLU 48 2HG GLU 48 -5.853 -1.620 8.903 355 H HIS 49 H HIS 49 -4.427 0.522 7.588 356 HA HIS 49 HA HIS 49 -1.665 1.085 7.179 357 1HB HIS 49 1HB HIS 49 -3.640 2.710 7.080 358 2HB HIS 49 2HB HIS 49 -3.629 2.681 8.832 359 HD1 HIS 49 1HD HIS 49 -0.696 2.904 9.544 360 HD2 HIS 49 2HD HIS 49 -2.430 5.050 6.384 361 HE1 HIS 49 1HE HIS 49 0.814 4.920 9.135 362 H ASP 50 H ASP 50 0.003 1.219 8.719 363 HA ASP 50 HA ASP 50 -0.535 -0.353 11.069 364 1HB ASP 50 1HB ASP 50 1.549 -0.407 9.364 365 2HB ASP 50 2HB ASP 50 2.169 0.831 10.438 366 H THR 51 H THR 51 -1.826 2.127 11.221 367 HA THR 51 HA THR 51 -0.524 3.318 13.478 368 HB THR 51 HB THR 51 -0.782 4.837 10.831 369 HG1 THR 51 1HG THR 51 1.331 4.113 12.738 370 1HG2 THR 51 1HG2 THR 51 0.594 6.480 12.546 371 2HG2 THR 51 2HG2 THR 51 -1.153 6.641 12.244 372 3HG2 THR 51 3HG2 THR 51 -0.575 5.758 13.677 373 H THR 52 H THR 52 -2.927 4.382 10.975 374 HA THR 52 HA THR 52 -4.739 5.233 12.987 375 HB THR 52 HB THR 52 -6.226 5.525 10.936 376 HG1 THR 52 1HG THR 52 -5.355 4.683 8.995 377 1HG2 THR 52 1HG2 THR 52 -4.118 6.714 9.581 378 2HG2 THR 52 2HG2 THR 52 -5.011 7.488 10.911 379 3HG2 THR 52 3HG2 THR 52 -3.479 6.644 11.241 380 H LYS 53 H LYS 53 -4.065 2.150 11.462 381 HA LYS 53 HA LYS 53 -4.845 0.137 11.989 382 1HB LYS 53 1HB LYS 53 -6.906 1.387 13.818 383 2HB LYS 53 2HB LYS 53 -6.299 -0.256 13.843 384 1HG LYS 53 1HG LYS 53 -4.561 2.208 14.332 385 2HG LYS 53 2HG LYS 53 -5.283 1.252 15.611 386 1HD LYS 53 1HD LYS 53 -3.859 -0.454 13.689 387 2HD LYS 53 2HD LYS 53 -2.800 0.779 14.343 388 1HE LYS 53 1HE LYS 53 -3.120 0.045 16.591 389 2HE LYS 53 2HE LYS 53 -4.592 -0.823 16.200 390 1HZ LYS 53 1HZ LYS 53 -3.360 -2.456 15.085 391 2HZ LYS 53 2HZ LYS 53 -1.982 -1.580 15.096 392 3HZ LYS 53 3HZ LYS 53 -2.565 -2.201 16.489 393 H ALA 54 H ALA 54 -6.333 2.611 10.369 394 HA ALA 54 HA ALA 54 -8.697 1.047 9.664 395 1HB ALA 54 1HB ALA 54 -8.922 3.458 10.272 396 2HB ALA 54 2HB ALA 54 -7.876 3.876 8.894 397 3HB ALA 54 3HB ALA 54 -9.459 3.115 8.610 398 H ARG 55 H ARG 55 -9.227 0.857 7.293 399 HA ARG 55 HA ARG 55 -6.739 0.541 5.812 400 1HB ARG 55 1HB ARG 55 -9.319 -1.096 5.654 401 2HB ARG 55 2HB ARG 55 -7.975 -1.293 4.547 402 1HG ARG 55 1HG ARG 55 -6.770 -2.505 6.055 403 2HG ARG 55 2HG ARG 55 -7.068 -1.353 7.342 404 1HD ARG 55 1HD ARG 55 -9.575 -2.616 6.906 405 2HD ARG 55 2HD ARG 55 -8.398 -3.911 6.812 406 HE ARG 55 HE ARG 55 -7.575 -2.533 9.052 407 1HH1 ARG 55 2HH2 ARG 55 -10.685 -3.836 8.046 408 2HH1 ARG 55 1HH2 ARG 55 -11.234 -4.118 9.664 409 1HH2 ARG 55 2HH1 ARG 55 -8.299 -2.905 11.187 410 2HH2 ARG 55 1HH1 ARG 55 -9.868 -3.585 11.463 411 H GLY 56 H GLY 56 -6.667 1.386 3.684 412 1HA GLY 56 1HA GLY 56 -9.160 2.606 2.673 413 2HA GLY 56 2HA GLY 56 -7.665 3.517 2.753 414 H TRP 57 H TRP 57 -8.232 3.642 0.314 415 HA TRP 57 HA TRP 57 -7.186 1.252 -1.042 416 1HB TRP 57 1HB TRP 57 -9.139 3.369 -1.933 417 2HB TRP 57 2HB TRP 57 -8.329 2.302 -3.062 418 HD1 TRP 57 HD TRP 57 -11.243 2.362 -0.652 419 HE1 TRP 57 1HE TRP 57 -12.571 0.081 -0.629 420 HE3 TRP 57 3HE TRP 57 -7.806 -0.272 -3.318 421 HZ2 TRP 57 2HZ TRP 57 -12.046 -2.510 -1.704 422 HZ3 TRP 57 3HZ TRP 57 -8.291 -2.672 -3.788 423 HH2 TRP 57 HH TRP 57 -10.325 -3.793 -3.028 424 H PHE 58 H PHE 58 -5.323 1.488 -2.279 425 HA PHE 58 HA PHE 58 -4.398 4.199 -2.800 426 1HB PHE 58 1HB PHE 58 -2.124 3.454 -1.915 427 2HB PHE 58 2HB PHE 58 -3.345 3.516 -0.661 428 HD1 PHE 58 1HD PHE 58 -3.974 1.564 0.531 429 HD2 PHE 58 2HD PHE 58 -1.469 1.232 -2.878 430 HE1 PHE 58 1HE PHE 58 -3.491 -0.828 1.119 431 HE2 PHE 58 2HE PHE 58 -0.986 -1.160 -2.291 432 HZ PHE 58 HZ PHE 58 -2.003 -2.161 -0.299 433 HA PRO 59 HA PRO 59 -3.125 2.343 -6.501 434 1HB PRO 59 1HB PRO 59 -1.263 4.134 -7.394 435 2HB PRO 59 2HB PRO 59 -2.990 4.381 -7.565 436 1HG PRO 59 1HG PRO 59 -1.112 5.668 -5.679 437 2HG PRO 59 2HG PRO 59 -2.716 6.187 -6.157 438 1HD PRO 59 1HD PRO 59 -1.987 4.916 -3.691 439 2HD PRO 59 2HD PRO 59 -3.606 5.330 -4.218 440 H SER 60 H SER 60 -2.080 0.494 -6.835 441 HA SER 60 HA SER 60 -0.101 -0.330 -5.202 442 1HB SER 60 1HB SER 60 0.310 -2.097 -6.797 443 2HB SER 60 2HB SER 60 -1.399 -1.718 -6.865 444 HG SER 60 HG SER 60 -0.763 -1.797 -8.999 445 H SER 61 H SER 61 0.068 1.966 -7.850 446 HA SER 61 HA SER 61 2.798 1.641 -8.406 447 1HB SER 61 1HB SER 61 0.613 3.198 -9.380 448 2HB SER 61 2HB SER 61 1.860 4.343 -8.926 449 HG SER 61 HG SER 61 1.754 2.857 -11.151 450 H TYR 62 H TYR 62 0.898 3.464 -6.010 451 HA TYR 62 HA TYR 62 3.166 5.068 -5.215 452 1HB TYR 62 1HB TYR 62 0.223 4.660 -4.594 453 2HB TYR 62 2HB TYR 62 1.187 5.360 -3.310 454 HD1 TYR 62 1HD TYR 62 -0.073 7.454 -3.373 455 HD2 TYR 62 2HD TYR 62 2.019 6.041 -6.827 456 HE1 TYR 62 1HE TYR 62 -0.300 9.743 -4.455 457 HE2 TYR 62 2HE TYR 62 1.786 8.335 -7.898 458 HH TYR 62 HH TYR 62 0.427 11.038 -6.091 459 H THR 63 H THR 63 2.739 1.884 -4.940 460 HA THR 63 HA THR 63 4.024 1.819 -2.324 461 HB THR 63 HB THR 63 2.452 -0.118 -1.713 462 HG1 THR 63 1HG THR 63 1.471 -0.601 -3.695 463 1HG2 THR 63 1HG2 THR 63 0.571 1.288 -1.041 464 2HG2 THR 63 2HG2 THR 63 2.045 2.273 -0.879 465 3HG2 THR 63 3HG2 THR 63 0.972 2.499 -2.282 466 H LYS 64 H LYS 64 5.304 -0.082 -1.956 467 HA LYS 64 HA LYS 64 5.706 -1.689 -4.370 468 1HB LYS 64 1HB LYS 64 7.933 -0.424 -2.745 469 2HB LYS 64 2HB LYS 64 8.133 -1.504 -4.110 470 1HG LYS 64 1HG LYS 64 6.588 0.279 -5.362 471 2HG LYS 64 2HG LYS 64 7.125 1.348 -4.082 472 1HD LYS 64 1HD LYS 64 8.959 1.728 -5.379 473 2HD LYS 64 2HD LYS 64 9.513 0.153 -4.848 474 1HE LYS 64 1HE LYS 64 7.917 -0.672 -6.873 475 2HE LYS 64 2HE LYS 64 8.255 0.941 -7.469 476 1HZ LYS 64 1HZ LYS 64 9.883 -1.219 -7.663 477 2HZ LYS 64 2HZ LYS 64 10.294 0.328 -7.985 478 3HZ LYS 64 3HZ LYS 64 10.596 -0.307 -6.511 479 H LEU 65 H LEU 65 6.770 -3.791 -3.914 480 HA LEU 65 HA LEU 65 5.676 -4.894 -1.520 481 1HB LEU 65 1HB LEU 65 7.139 -5.933 -3.915 482 2HB LEU 65 2HB LEU 65 6.999 -6.941 -2.488 483 HG LEU 65 HG LEU 65 4.477 -5.712 -3.473 484 1HD1 LEU 65 1HD1 LEU 65 5.788 -6.420 -5.537 485 2HD1 LEU 65 2HD1 LEU 65 5.615 -8.090 -4.945 486 3HD1 LEU 65 3HD1 LEU 65 4.168 -7.127 -5.328 487 1HD2 LEU 65 1HD2 LEU 65 5.364 -8.054 -1.938 488 2HD2 LEU 65 2HD2 LEU 65 3.847 -7.126 -1.857 489 3HD2 LEU 65 3HD2 LEU 65 4.052 -8.391 -3.093 490 H LEU 66 H LEU 66 6.682 -5.396 0.390 491 HA LEU 66 HA LEU 66 9.053 -4.090 1.027 492 1HB LEU 66 1HB LEU 66 7.557 -6.339 2.371 493 2HB LEU 66 2HB LEU 66 8.952 -5.550 3.079 494 HG LEU 66 HG LEU 66 6.160 -4.624 2.840 495 1HD1 LEU 66 1HD1 LEU 66 6.542 -4.702 5.033 496 2HD1 LEU 66 2HD1 LEU 66 8.307 -4.755 4.809 497 3HD1 LEU 66 3HD1 LEU 66 7.458 -3.190 4.823 498 1HD2 LEU 66 1HD2 LEU 66 6.642 -2.276 2.669 499 2HD2 LEU 66 2HD2 LEU 66 8.391 -2.593 2.574 500 3HD2 LEU 66 3HD2 LEU 66 7.321 -3.104 1.247 501 H SER 67 H SER 67 11.004 -5.380 2.054 502 HA SER 67 HA SER 67 11.578 -7.797 0.650 503 1HB SER 67 1HB SER 67 12.850 -5.172 -0.090 504 2HB SER 67 2HB SER 67 13.876 -6.592 -0.072 505 HG SER 67 HG SER 67 12.834 -7.441 -1.785 506 H GLY 68 H GLY 68 11.928 -8.817 2.650 507 1HA GLY 68 1HA GLY 68 13.910 -7.573 4.449 508 2HA GLY 68 2HA GLY 68 12.677 -8.730 4.910 509 HA PRO 69 HA PRO 69 16.514 -11.059 4.137 510 1HB PRO 69 1HB PRO 69 16.790 -12.188 6.610 511 2HB PRO 69 2HB PRO 69 17.610 -10.714 6.133 512 1HG PRO 69 1HG PRO 69 15.269 -11.041 7.909 513 2HG PRO 69 2HG PRO 69 16.348 -9.668 7.756 514 1HD PRO 69 1HD PRO 69 13.695 -9.894 6.688 515 2HD PRO 69 2HD PRO 69 14.816 -8.571 6.438 516 H SER 70 H SER 70 16.881 -13.307 3.771 517 HA SER 70 HA SER 70 14.505 -14.866 4.353 518 1HB SER 70 1HB SER 70 14.036 -14.293 2.106 519 2HB SER 70 2HB SER 70 15.722 -14.348 1.632 520 HG SER 70 HG SER 70 15.673 -16.674 1.877 521 H SER 71 H SER 71 15.137 -16.719 5.393 522 HA SER 71 HA SER 71 16.344 -18.382 6.088 523 1HB SER 71 1HB SER 71 17.383 -18.120 3.265 524 2HB SER 71 2HB SER 71 18.175 -19.246 4.349 525 HG SER 71 HG SER 71 16.596 -20.604 3.888 526 H GLY 72 H GLY 72 18.594 -19.052 6.874 527 1HA GLY 72 1HA GLY 72 20.873 -17.507 6.590 528 2HA GLY 72 2HA GLY 72 19.962 -16.782 7.900 Start of MODEL 9 1 1H GLY 1 H GLY 1 -5.067 -14.501 15.191 2 1HA GLY 1 1HA GLY 1 -6.547 -16.545 15.551 3 2HA GLY 1 2HA GLY 1 -6.989 -16.309 13.872 4 H SER 2 H SER 2 -5.955 -17.782 12.599 5 HA SER 2 HA SER 2 -3.241 -18.478 13.365 6 1HB SER 2 1HB SER 2 -3.541 -20.526 12.147 7 2HB SER 2 2HB SER 2 -5.003 -20.290 13.084 8 HG SER 2 HG SER 2 -6.155 -19.747 11.259 9 H SER 3 H SER 3 -1.499 -17.976 12.028 10 HA SER 3 HA SER 3 -2.225 -16.634 9.545 11 1HB SER 3 1HB SER 3 -1.100 -15.168 11.180 12 2HB SER 3 2HB SER 3 0.231 -16.300 11.323 13 HG SER 3 HG SER 3 -0.494 -15.155 8.776 14 H GLY 4 H GLY 4 -1.142 -17.228 7.599 15 1HA GLY 4 1HA GLY 4 0.982 -19.211 7.718 16 2HA GLY 4 2HA GLY 4 -0.538 -19.763 7.040 17 H SER 5 H SER 5 1.546 -16.779 6.840 18 HA SER 5 HA SER 5 2.252 -15.612 5.154 19 1HB SER 5 1HB SER 5 2.358 -18.356 4.183 20 2HB SER 5 2HB SER 5 2.026 -17.269 2.849 21 HG SER 5 HG SER 5 4.314 -17.527 3.183 22 H SER 6 H SER 6 0.186 -14.373 5.454 23 HA SER 6 HA SER 6 -1.163 -14.218 2.951 24 1HB SER 6 1HB SER 6 -2.415 -16.001 4.324 25 2HB SER 6 2HB SER 6 -2.864 -14.716 5.427 26 HG SER 6 HG SER 6 -4.037 -15.394 3.081 27 H GLY 7 H GLY 7 -0.996 -12.035 2.596 28 1HA GLY 7 1HA GLY 7 -1.957 -9.900 3.161 29 2HA GLY 7 2HA GLY 7 -1.653 -10.242 4.853 30 H GLN 8 H GLN 8 0.324 -10.435 1.798 31 HA GLN 8 HA GLN 8 2.731 -9.995 2.870 32 1HB GLN 8 1HB GLN 8 1.488 -9.637 0.239 33 2HB GLN 8 2HB GLN 8 2.788 -8.489 0.485 34 1HG GLN 8 1HG GLN 8 3.610 -10.624 -0.515 35 2HG GLN 8 2HG GLN 8 4.361 -10.298 1.035 36 1HE2 GLN 8 1HE2 GLN 8 4.620 -12.054 2.164 37 2HE2 GLN 8 2HE2 GLN 8 3.517 -13.380 2.324 38 H LYS 9 H LYS 9 4.158 -7.898 2.564 39 HA LYS 9 HA LYS 9 2.582 -5.624 3.557 40 1HB LYS 9 1HB LYS 9 5.356 -6.524 4.388 41 2HB LYS 9 2HB LYS 9 4.613 -5.013 4.872 42 1HG LYS 9 1HG LYS 9 2.619 -6.876 5.467 43 2HG LYS 9 2HG LYS 9 4.084 -7.765 5.836 44 1HD LYS 9 1HD LYS 9 4.446 -5.116 6.878 45 2HD LYS 9 2HD LYS 9 2.835 -5.622 7.345 46 1HE LYS 9 1HE LYS 9 4.964 -7.696 7.677 47 2HE LYS 9 2HE LYS 9 5.116 -6.299 8.723 48 1HZ LYS 9 1HZ LYS 9 3.570 -7.237 9.956 49 2HZ LYS 9 2HZ LYS 9 2.472 -6.962 8.778 50 3HZ LYS 9 3HZ LYS 9 3.250 -8.396 8.850 51 H VAL 10 H VAL 10 3.087 -3.559 2.740 52 HA VAL 10 HA VAL 10 5.076 -3.549 0.584 53 HB VAL 10 HB VAL 10 3.482 -2.035 -0.642 54 1HG1 VAL 10 1HG1 VAL 10 2.983 -4.971 -0.192 55 2HG1 VAL 10 2HG1 VAL 10 1.950 -4.042 -1.304 56 3HG1 VAL 10 3HG1 VAL 10 3.703 -4.145 -1.595 57 1HG2 VAL 10 1HG2 VAL 10 2.059 -1.738 1.523 58 2HG2 VAL 10 2HG2 VAL 10 1.240 -1.830 -0.055 59 3HG2 VAL 10 3HG2 VAL 10 1.279 -3.254 1.011 60 H LYS 11 H LYS 11 5.989 -1.400 0.146 61 HA LYS 11 HA LYS 11 5.658 0.393 2.451 62 1HB LYS 11 1HB LYS 11 7.757 -0.541 2.827 63 2HB LYS 11 2HB LYS 11 8.147 -0.641 1.122 64 1HG LYS 11 1HG LYS 11 8.411 1.785 0.964 65 2HG LYS 11 2HG LYS 11 7.785 2.013 2.585 66 1HD LYS 11 1HD LYS 11 10.112 0.157 2.410 67 2HD LYS 11 2HD LYS 11 10.468 1.811 1.953 68 1HE LYS 11 1HE LYS 11 10.177 2.613 4.094 69 2HE LYS 11 2HE LYS 11 8.816 1.558 4.419 70 1HZ LYS 11 1HZ LYS 11 10.958 1.100 5.625 71 2HZ LYS 11 2HZ LYS 11 10.231 -0.185 4.929 72 3HZ LYS 11 3HZ LYS 11 11.536 0.497 4.222 73 H THR 12 H THR 12 5.235 2.516 1.994 74 HA THR 12 HA THR 12 4.647 3.154 -0.739 75 HB THR 12 HB THR 12 3.802 5.243 0.294 76 HG1 THR 12 1HG THR 12 4.318 5.470 2.624 77 1HG2 THR 12 1HG2 THR 12 2.675 4.078 2.466 78 2HG2 THR 12 2HG2 THR 12 2.110 3.715 0.817 79 3HG2 THR 12 3HG2 THR 12 3.233 2.604 1.637 80 H ILE 13 H ILE 13 5.692 4.506 -2.155 81 HA ILE 13 HA ILE 13 8.395 5.256 -1.296 82 HB ILE 13 HB ILE 13 8.829 5.293 -3.788 83 1HG1 ILE 13 1HG1 ILE 13 6.203 3.777 -3.868 84 2HG1 ILE 13 2HG1 ILE 13 6.468 5.387 -4.508 85 1HG2 ILE 13 1HG2 ILE 13 9.032 3.297 -1.908 86 2HG2 ILE 13 2HG2 ILE 13 8.173 2.489 -3.241 87 3HG2 ILE 13 3HG2 ILE 13 9.744 3.270 -3.539 88 1HD1 ILE 13 1HD1 ILE 13 8.411 4.306 -5.887 89 2HD1 ILE 13 2HD1 ILE 13 7.631 2.759 -5.479 90 3HD1 ILE 13 3HD1 ILE 13 6.737 3.991 -6.401 91 H PHE 14 H PHE 14 5.253 6.430 -1.996 92 HA PHE 14 HA PHE 14 6.319 9.130 -2.037 93 1HB PHE 14 1HB PHE 14 4.290 7.935 -4.022 94 2HB PHE 14 2HB PHE 14 4.713 9.634 -3.954 95 HD1 PHE 14 1HD PHE 14 7.536 9.789 -3.853 96 HD2 PHE 14 2HD PHE 14 5.157 6.932 -5.897 97 HE1 PHE 14 1HE PHE 14 9.411 9.387 -5.472 98 HE2 PHE 14 2HE PHE 14 7.032 6.529 -7.516 99 HZ PHE 14 HZ PHE 14 9.136 7.761 -7.285 100 HA PRO 15 HA PRO 15 2.878 9.736 0.526 101 1HB PRO 15 1HB PRO 15 2.666 12.460 0.477 102 2HB PRO 15 2HB PRO 15 3.825 11.607 1.477 103 1HG PRO 15 1HG PRO 15 4.288 13.109 -1.027 104 2HG PRO 15 2HG PRO 15 5.450 12.622 0.192 105 1HD PRO 15 1HD PRO 15 5.037 11.400 -2.370 106 2HD PRO 15 2HD PRO 15 6.115 10.845 -1.105 107 H HIS 16 H HIS 16 0.641 9.941 0.632 108 HA HIS 16 HA HIS 16 -0.627 11.184 -1.612 109 1HB HIS 16 1HB HIS 16 -0.050 9.001 -2.567 110 2HB HIS 16 2HB HIS 16 -0.846 8.185 -1.236 111 HD1 HIS 16 1HD HIS 16 -3.437 8.055 -1.265 112 HD2 HIS 16 2HD HIS 16 -1.800 10.189 -4.484 113 HE1 HIS 16 1HE HIS 16 -5.334 8.392 -2.938 114 H THR 17 H THR 17 -1.335 12.498 0.227 115 HA THR 17 HA THR 17 -2.999 11.168 2.196 116 HB THR 17 HB THR 17 -2.113 14.062 1.725 117 HG1 THR 17 1HG THR 17 -0.935 13.344 3.767 118 1HG2 THR 17 1HG2 THR 17 -3.748 12.752 3.951 119 2HG2 THR 17 2HG2 THR 17 -2.817 14.248 4.207 120 3HG2 THR 17 3HG2 THR 17 -4.152 14.220 3.029 121 H ALA 18 H ALA 18 -5.216 11.366 2.442 122 HA ALA 18 HA ALA 18 -6.645 11.694 0.024 123 1HB ALA 18 1HB ALA 18 -7.663 10.166 1.412 124 2HB ALA 18 2HB ALA 18 -7.232 11.057 2.891 125 3HB ALA 18 3HB ALA 18 -8.584 11.616 1.878 126 H GLY 19 H GLY 19 -6.745 13.541 3.161 127 1HA GLY 19 1HA GLY 19 -6.709 15.849 3.350 128 2HA GLY 19 2HA GLY 19 -7.055 16.016 1.640 129 H ASN 20 H ASN 20 -9.326 14.615 1.135 130 HA ASN 20 HA ASN 20 -11.207 15.546 3.152 131 1HB ASN 20 1HB ASN 20 -12.005 15.603 0.239 132 2HB ASN 20 2HB ASN 20 -12.566 16.618 1.553 133 1HD2 ASN 20 1HD2 ASN 20 -11.246 18.305 2.336 134 2HD2 ASN 20 2HD2 ASN 20 -10.021 19.039 1.356 135 H ASN 21 H ASN 21 -10.875 13.696 0.020 136 HA ASN 21 HA ASN 21 -13.017 12.115 0.179 137 1HB ASN 21 1HB ASN 21 -10.248 11.069 -0.597 138 2HB ASN 21 2HB ASN 21 -11.788 10.508 -1.216 139 1HD2 ASN 21 1HD2 ASN 21 -10.304 11.049 -3.157 140 2HD2 ASN 21 2HD2 ASN 21 -10.543 12.602 -3.888 141 H LYS 22 H LYS 22 -13.234 9.754 0.877 142 HA LYS 22 HA LYS 22 -11.541 9.180 3.209 143 1HB LYS 22 1HB LYS 22 -14.542 8.892 2.923 144 2HB LYS 22 2HB LYS 22 -13.619 8.108 4.189 145 1HG LYS 22 1HG LYS 22 -12.647 10.513 4.656 146 2HG LYS 22 2HG LYS 22 -14.012 11.082 3.715 147 1HD LYS 22 1HD LYS 22 -15.431 10.766 5.457 148 2HD LYS 22 2HD LYS 22 -14.938 9.093 5.624 149 1HE LYS 22 1HE LYS 22 -12.901 11.016 6.602 150 2HE LYS 22 2HE LYS 22 -14.421 11.119 7.468 151 1HZ LYS 22 1HZ LYS 22 -13.553 9.410 8.578 152 2HZ LYS 22 2HZ LYS 22 -14.086 8.499 7.332 153 3HZ LYS 22 3HZ LYS 22 -12.524 8.971 7.388 154 H THR 23 H THR 23 -12.190 8.380 0.077 155 HA THR 23 HA THR 23 -12.209 5.493 0.510 156 HB THR 23 HB THR 23 -12.665 5.442 -1.919 157 HG1 THR 23 1HG THR 23 -11.266 7.211 -2.516 158 1HG2 THR 23 1HG2 THR 23 -14.309 7.816 -1.544 159 2HG2 THR 23 2HG2 THR 23 -14.825 6.114 -1.604 160 3HG2 THR 23 3HG2 THR 23 -14.334 6.841 -0.055 161 H LEU 24 H LEU 24 -9.927 7.884 0.617 162 HA LEU 24 HA LEU 24 -7.923 6.101 -0.584 163 1HB LEU 24 1HB LEU 24 -7.619 9.078 -0.274 164 2HB LEU 24 2HB LEU 24 -6.637 7.973 -1.215 165 HG LEU 24 HG LEU 24 -9.546 8.422 -1.875 166 1HD1 LEU 24 1HD1 LEU 24 -8.757 10.631 -1.931 167 2HD1 LEU 24 2HD1 LEU 24 -7.185 10.149 -2.612 168 3HD1 LEU 24 3HD1 LEU 24 -8.652 10.065 -3.616 169 1HD2 LEU 24 1HD2 LEU 24 -9.033 6.754 -3.275 170 2HD2 LEU 24 2HD2 LEU 24 -8.179 8.003 -4.212 171 3HD2 LEU 24 3HD2 LEU 24 -7.280 6.981 -3.065 172 H LEU 25 H LEU 25 -6.268 5.404 0.715 173 HA LEU 25 HA LEU 25 -6.549 5.951 3.514 174 1HB LEU 25 1HB LEU 25 -5.981 3.733 2.334 175 2HB LEU 25 2HB LEU 25 -4.352 4.368 2.208 176 HG LEU 25 HG LEU 25 -4.393 4.675 4.732 177 1HD1 LEU 25 1HD1 LEU 25 -6.399 2.606 5.146 178 2HD1 LEU 25 2HD1 LEU 25 -6.171 4.167 5.970 179 3HD1 LEU 25 3HD1 LEU 25 -7.093 4.089 4.449 180 1HD2 LEU 25 1HD2 LEU 25 -3.517 2.641 3.229 181 2HD2 LEU 25 2HD2 LEU 25 -3.396 2.657 5.004 182 3HD2 LEU 25 3HD2 LEU 25 -4.717 1.766 4.210 183 H SER 26 H SER 26 -5.727 7.720 4.481 184 HA SER 26 HA SER 26 -3.715 9.206 3.114 185 1HB SER 26 1HB SER 26 -4.118 10.912 4.735 186 2HB SER 26 2HB SER 26 -5.684 10.191 4.419 187 HG SER 26 HG SER 26 -4.699 10.538 6.783 188 H PHE 27 H PHE 27 -1.527 8.970 3.415 189 HA PHE 27 HA PHE 27 -0.535 8.231 6.013 190 1HB PHE 27 1HB PHE 27 0.756 6.288 4.932 191 2HB PHE 27 2HB PHE 27 -0.973 6.017 5.025 192 HD1 PHE 27 1HD PHE 27 1.656 7.259 2.699 193 HD2 PHE 27 2HD PHE 27 -2.159 5.446 3.107 194 HE1 PHE 27 1HE PHE 27 1.586 6.848 0.224 195 HE2 PHE 27 2HE PHE 27 -2.229 5.035 0.632 196 HZ PHE 27 HZ PHE 27 -0.355 5.741 -0.780 197 H ALA 28 H ALA 28 2.059 7.871 5.682 198 HA ALA 28 HA ALA 28 2.911 10.001 3.841 199 1HB ALA 28 1HB ALA 28 2.860 10.428 6.431 200 2HB ALA 28 2HB ALA 28 4.312 9.399 6.446 201 3HB ALA 28 3HB ALA 28 4.297 10.902 5.494 202 H GLN 29 H GLN 29 4.787 9.610 2.634 203 HA GLN 29 HA GLN 29 5.327 7.130 1.837 204 1HB GLN 29 1HB GLN 29 6.207 9.105 0.701 205 2HB GLN 29 2HB GLN 29 7.250 9.484 2.057 206 1HG GLN 29 1HG GLN 29 8.297 7.120 1.675 207 2HG GLN 29 2HG GLN 29 7.472 7.142 0.129 208 1HE2 GLN 29 1HE2 GLN 29 10.264 7.043 0.523 209 2HE2 GLN 29 2HE2 GLN 29 10.986 8.466 -0.152 210 H GLY 30 H GLY 30 6.596 5.361 2.448 211 1HA GLY 30 1HA GLY 30 8.402 4.416 3.645 212 2HA GLY 30 2HA GLY 30 8.257 5.670 4.860 213 H ASP 31 H ASP 31 5.299 5.576 5.044 214 HA ASP 31 HA ASP 31 5.012 3.871 7.102 215 1HB ASP 31 1HB ASP 31 2.936 4.765 5.050 216 2HB ASP 31 2HB ASP 31 2.512 3.963 6.549 217 H VAL 32 H VAL 32 3.972 1.720 7.315 218 HA VAL 32 HA VAL 32 4.159 0.156 4.835 219 HB VAL 32 HB VAL 32 4.641 -0.581 7.725 220 1HG1 VAL 32 1HG1 VAL 32 5.358 -2.695 5.932 221 2HG1 VAL 32 2HG1 VAL 32 4.180 -2.712 7.267 222 3HG1 VAL 32 3HG1 VAL 32 3.662 -2.247 5.629 223 1HG2 VAL 32 1HG2 VAL 32 6.357 0.532 5.875 224 2HG2 VAL 32 2HG2 VAL 32 6.841 -0.421 7.298 225 3HG2 VAL 32 3HG2 VAL 32 6.685 -1.209 5.710 226 H LEU 33 H LEU 33 2.380 -0.987 4.149 227 HA LEU 33 HA LEU 33 0.072 -0.945 5.966 228 1HB LEU 33 1HB LEU 33 -0.297 -0.854 3.009 229 2HB LEU 33 2HB LEU 33 -1.354 -0.300 4.291 230 HG LEU 33 HG LEU 33 1.076 1.246 4.341 231 1HD1 LEU 33 1HD1 LEU 33 1.459 1.929 2.234 232 2HD1 LEU 33 2HD1 LEU 33 0.712 0.375 1.794 233 3HD1 LEU 33 3HD1 LEU 33 -0.262 1.865 1.784 234 1HD2 LEU 33 1HD2 LEU 33 -0.652 3.088 3.813 235 2HD2 LEU 33 2HD2 LEU 33 -1.860 1.787 3.945 236 3HD2 LEU 33 3HD2 LEU 33 -0.814 2.176 5.333 237 H THR 34 H THR 34 -1.186 -2.830 6.065 238 HA THR 34 HA THR 34 0.158 -5.174 4.951 239 HB THR 34 HB THR 34 -1.950 -4.749 7.131 240 HG1 THR 34 1HG THR 34 0.033 -5.586 8.315 241 1HG2 THR 34 1HG2 THR 34 -0.556 -7.289 7.238 242 2HG2 THR 34 2HG2 THR 34 -2.310 -7.003 7.144 243 3HG2 THR 34 3HG2 THR 34 -1.350 -7.145 5.651 244 H LEU 35 H LEU 35 -0.545 -6.213 3.199 245 HA LEU 35 HA LEU 35 -2.892 -5.280 1.894 246 1HB LEU 35 1HB LEU 35 -0.942 -7.512 1.337 247 2HB LEU 35 2HB LEU 35 -2.322 -7.172 0.311 248 HG LEU 35 HG LEU 35 -0.937 -4.712 0.686 249 1HD1 LEU 35 1HD1 LEU 35 0.850 -7.060 0.548 250 2HD1 LEU 35 2HD1 LEU 35 1.199 -5.761 -0.618 251 3HD1 LEU 35 3HD1 LEU 35 1.157 -5.404 1.126 252 1HD2 LEU 35 1HD2 LEU 35 -2.141 -4.962 -1.276 253 2HD2 LEU 35 2HD2 LEU 35 -0.459 -5.143 -1.831 254 3HD2 LEU 35 3HD2 LEU 35 -1.480 -6.583 -1.603 255 H LEU 36 H LEU 36 -4.878 -6.360 1.550 256 HA LEU 36 HA LEU 36 -5.333 -8.558 3.448 257 1HB LEU 36 1HB LEU 36 -7.300 -6.468 2.505 258 2HB LEU 36 2HB LEU 36 -7.622 -7.763 3.641 259 HG LEU 36 HG LEU 36 -5.709 -5.453 4.080 260 1HD1 LEU 36 1HD1 LEU 36 -8.572 -5.796 4.568 261 2HD1 LEU 36 2HD1 LEU 36 -7.661 -5.335 6.026 262 3HD1 LEU 36 3HD1 LEU 36 -7.571 -4.324 4.564 263 1HD2 LEU 36 1HD2 LEU 36 -6.364 -6.810 6.498 264 2HD2 LEU 36 2HD2 LEU 36 -5.795 -8.017 5.319 265 3HD2 LEU 36 3HD2 LEU 36 -4.775 -6.614 5.719 266 H ILE 37 H ILE 37 -6.330 -7.113 0.275 267 HA ILE 37 HA ILE 37 -7.253 -9.765 -0.525 268 HB ILE 37 HB ILE 37 -8.344 -8.625 -2.356 269 1HG1 ILE 37 1HG1 ILE 37 -7.235 -6.029 -1.253 270 2HG1 ILE 37 2HG1 ILE 37 -6.585 -6.859 -2.653 271 1HG2 ILE 37 1HG2 ILE 37 -10.055 -8.335 -0.979 272 2HG2 ILE 37 2HG2 ILE 37 -8.936 -8.298 0.405 273 3HG2 ILE 37 3HG2 ILE 37 -9.373 -6.787 -0.428 274 1HD1 ILE 37 1HD1 ILE 37 -8.107 -5.241 -3.537 275 2HD1 ILE 37 2HD1 ILE 37 -8.979 -6.790 -3.631 276 3HD1 ILE 37 3HD1 ILE 37 -9.351 -5.637 -2.327 277 HA PRO 38 HA PRO 38 -3.602 -10.296 -2.796 278 1HB PRO 38 1HB PRO 38 -4.278 -12.573 -4.148 279 2HB PRO 38 2HB PRO 38 -3.677 -12.579 -2.502 280 1HG PRO 38 1HG PRO 38 -6.440 -12.993 -3.467 281 2HG PRO 38 2HG PRO 38 -5.747 -13.407 -1.911 282 1HD PRO 38 1HD PRO 38 -7.466 -11.184 -2.488 283 2HD PRO 38 2HD PRO 38 -6.680 -11.532 -0.961 284 H GLU 39 H GLU 39 -6.554 -9.437 -4.057 285 HA GLU 39 HA GLU 39 -5.422 -9.284 -6.726 286 1HB GLU 39 1HB GLU 39 -8.015 -9.911 -5.738 287 2HB GLU 39 2HB GLU 39 -8.176 -8.353 -6.525 288 1HG GLU 39 1HG GLU 39 -8.529 -9.930 -8.274 289 2HG GLU 39 2HG GLU 39 -6.884 -9.378 -8.519 290 H GLU 40 H GLU 40 -6.242 -7.166 -7.967 291 HA GLU 40 HA GLU 40 -5.874 -4.936 -6.123 292 1HB GLU 40 1HB GLU 40 -4.495 -3.801 -7.792 293 2HB GLU 40 2HB GLU 40 -3.808 -5.377 -7.452 294 1HG GLU 40 1HG GLU 40 -5.802 -5.282 -9.686 295 2HG GLU 40 2HG GLU 40 -4.288 -4.451 -9.981 296 H LYS 41 H LYS 41 -6.975 -2.937 -6.704 297 HA LYS 41 HA LYS 41 -9.399 -3.472 -8.175 298 1HB LYS 41 1HB LYS 41 -9.462 -2.339 -5.991 299 2HB LYS 41 2HB LYS 41 -8.487 -1.029 -6.625 300 1HG LYS 41 1HG LYS 41 -10.682 -0.192 -6.854 301 2HG LYS 41 2HG LYS 41 -10.336 -0.796 -8.463 302 1HD LYS 41 1HD LYS 41 -11.504 -2.814 -6.600 303 2HD LYS 41 2HD LYS 41 -12.567 -1.476 -6.989 304 1HE LYS 41 1HE LYS 41 -11.177 -2.483 -9.383 305 2HE LYS 41 2HE LYS 41 -12.085 -3.751 -8.585 306 1HZ LYS 41 1HZ LYS 41 -13.070 -1.700 -10.141 307 2HZ LYS 41 2HZ LYS 41 -13.920 -2.862 -9.370 308 3HZ LYS 41 3HZ LYS 41 -13.629 -1.436 -8.629 309 H ASP 42 H ASP 42 -8.088 -3.838 -10.223 310 HA ASP 42 HA ASP 42 -7.527 -3.191 -12.213 311 1HB ASP 42 1HB ASP 42 -9.057 -0.760 -11.276 312 2HB ASP 42 2HB ASP 42 -8.172 -0.645 -12.784 313 H GLY 43 H GLY 43 -5.582 -2.954 -10.088 314 1HA GLY 43 1HA GLY 43 -3.330 -2.190 -10.660 315 2HA GLY 43 2HA GLY 43 -4.014 -0.611 -10.993 316 H TRP 44 H TRP 44 -5.791 -0.199 -8.873 317 HA TRP 44 HA TRP 44 -4.020 0.552 -6.825 318 1HB TRP 44 1HB TRP 44 -7.014 0.516 -7.110 319 2HB TRP 44 2HB TRP 44 -6.251 0.973 -5.600 320 HD1 TRP 44 HD TRP 44 -5.843 2.077 -9.342 321 HE1 TRP 44 1HE TRP 44 -5.516 4.691 -9.495 322 HE3 TRP 44 3HE TRP 44 -5.964 2.912 -4.328 323 HZ2 TRP 44 2HZ TRP 44 -5.348 6.768 -7.545 324 HZ3 TRP 44 3HZ TRP 44 -5.712 5.262 -3.536 325 HH2 TRP 44 HH TRP 44 -5.412 7.155 -5.053 326 H LEU 45 H LEU 45 -3.878 -0.284 -4.632 327 HA LEU 45 HA LEU 45 -4.880 -3.031 -4.374 328 1HB LEU 45 1HB LEU 45 -2.124 -1.983 -4.189 329 2HB LEU 45 2HB LEU 45 -2.602 -3.082 -2.910 330 HG LEU 45 HG LEU 45 -2.696 -3.671 -5.882 331 1HD1 LEU 45 1HD1 LEU 45 -0.882 -4.891 -3.792 332 2HD1 LEU 45 2HD1 LEU 45 -0.815 -5.088 -5.559 333 3HD1 LEU 45 3HD1 LEU 45 -0.417 -3.517 -4.824 334 1HD2 LEU 45 1HD2 LEU 45 -4.018 -5.401 -5.466 335 2HD2 LEU 45 2HD2 LEU 45 -2.897 -6.005 -4.222 336 3HD2 LEU 45 3HD2 LEU 45 -4.176 -4.849 -3.781 337 H TYR 46 H TYR 46 -5.418 -3.691 -2.206 338 HA TYR 46 HA TYR 46 -5.958 -1.371 -0.488 339 1HB TYR 46 1HB TYR 46 -7.744 -3.041 -1.524 340 2HB TYR 46 2HB TYR 46 -7.097 -4.224 -0.404 341 HD1 TYR 46 1HD TYR 46 -7.989 -4.388 1.752 342 HD2 TYR 46 2HD TYR 46 -8.571 -0.780 -0.473 343 HE1 TYR 46 1HE TYR 46 -9.544 -3.513 3.563 344 HE2 TYR 46 2HE TYR 46 -10.125 0.082 1.345 345 HH TYR 46 HH TYR 46 -11.540 -0.818 3.077 346 H GLY 47 H GLY 47 -5.929 -1.838 1.917 347 1HA GLY 47 1HA GLY 47 -4.633 -4.041 3.028 348 2HA GLY 47 2HA GLY 47 -3.400 -2.850 2.664 349 H GLU 48 H GLU 48 -3.453 -3.215 5.239 350 HA GLU 48 HA GLU 48 -5.329 -1.263 6.318 351 1HB GLU 48 1HB GLU 48 -5.540 -3.504 7.314 352 2HB GLU 48 2HB GLU 48 -3.830 -3.535 7.693 353 1HG GLU 48 1HG GLU 48 -4.194 -1.445 9.122 354 2HG GLU 48 2HG GLU 48 -5.916 -1.636 8.858 355 H HIS 49 H HIS 49 -4.537 0.390 7.769 356 HA HIS 49 HA HIS 49 -1.777 1.051 7.209 357 1HB HIS 49 1HB HIS 49 -3.756 2.650 6.967 358 2HB HIS 49 2HB HIS 49 -3.809 2.706 8.718 359 HD1 HIS 49 1HD HIS 49 -0.819 2.911 9.422 360 HD2 HIS 49 2HD HIS 49 -2.630 5.053 6.302 361 HE1 HIS 49 1HE HIS 49 0.662 4.945 8.996 362 H ASP 50 H ASP 50 -0.130 1.123 8.731 363 HA ASP 50 HA ASP 50 -0.726 -0.275 11.159 364 1HB ASP 50 1HB ASP 50 1.393 -0.416 9.517 365 2HB ASP 50 2HB ASP 50 1.984 0.898 10.515 366 H THR 51 H THR 51 -2.026 2.213 11.151 367 HA THR 51 HA THR 51 -0.715 3.540 13.351 368 HB THR 51 HB THR 51 -1.147 4.885 10.634 369 HG1 THR 51 1HG THR 51 1.163 5.116 10.920 370 1HG2 THR 51 1HG2 THR 51 -0.982 5.999 13.404 371 2HG2 THR 51 2HG2 THR 51 0.166 6.704 12.241 372 3HG2 THR 51 3HG2 THR 51 -1.583 6.764 11.913 373 H THR 52 H THR 52 -3.264 4.404 10.920 374 HA THR 52 HA THR 52 -5.040 5.131 13.046 375 HB THR 52 HB THR 52 -6.509 5.740 11.159 376 HG1 THR 52 1HG THR 52 -4.464 4.572 9.453 377 1HG2 THR 52 1HG2 THR 52 -4.885 7.451 11.178 378 2HG2 THR 52 2HG2 THR 52 -3.549 6.318 10.862 379 3HG2 THR 52 3HG2 THR 52 -4.650 6.787 9.544 380 H LYS 53 H LYS 53 -4.232 2.180 11.401 381 HA LYS 53 HA LYS 53 -4.966 0.118 11.750 382 1HB LYS 53 1HB LYS 53 -7.026 1.226 13.676 383 2HB LYS 53 2HB LYS 53 -6.470 -0.431 13.555 384 1HG LYS 53 1HG LYS 53 -4.536 1.850 14.123 385 2HG LYS 53 2HG LYS 53 -5.424 1.066 15.413 386 1HD LYS 53 1HD LYS 53 -4.167 -0.883 13.588 387 2HD LYS 53 2HD LYS 53 -2.991 0.198 14.310 388 1HE LYS 53 1HE LYS 53 -3.660 -0.408 16.555 389 2HE LYS 53 2HE LYS 53 -5.113 -1.206 15.987 390 1HZ LYS 53 1HZ LYS 53 -3.786 -2.983 16.160 391 2HZ LYS 53 2HZ LYS 53 -3.293 -2.557 14.663 392 3HZ LYS 53 3HZ LYS 53 -2.394 -2.150 15.964 393 H ALA 54 H ALA 54 -6.474 2.602 10.226 394 HA ALA 54 HA ALA 54 -8.832 1.056 9.465 395 1HB ALA 54 1HB ALA 54 -8.924 3.515 10.157 396 2HB ALA 54 2HB ALA 54 -8.068 3.878 8.639 397 3HB ALA 54 3HB ALA 54 -9.676 3.117 8.594 398 H ARG 55 H ARG 55 -9.281 0.591 7.219 399 HA ARG 55 HA ARG 55 -6.815 0.490 5.681 400 1HB ARG 55 1HB ARG 55 -9.320 -1.254 5.445 401 2HB ARG 55 2HB ARG 55 -7.873 -1.438 4.473 402 1HG ARG 55 1HG ARG 55 -6.890 -2.683 6.092 403 2HG ARG 55 2HG ARG 55 -7.085 -1.387 7.256 404 1HD ARG 55 1HD ARG 55 -9.686 -2.464 6.976 405 2HD ARG 55 2HD ARG 55 -8.636 -3.867 6.964 406 HE ARG 55 HE ARG 55 -8.010 -1.916 9.075 407 1HH1 ARG 55 2HH2 ARG 55 -9.850 -4.789 8.215 408 2HH1 ARG 55 1HH2 ARG 55 -10.055 -5.305 9.856 409 1HH2 ARG 55 2HH1 ARG 55 -8.280 -2.596 11.240 410 2HH2 ARG 55 1HH1 ARG 55 -9.156 -4.049 11.588 411 H GLY 56 H GLY 56 -6.794 1.345 3.559 412 1HA GLY 56 1HA GLY 56 -9.354 2.412 2.543 413 2HA GLY 56 2HA GLY 56 -7.921 3.416 2.632 414 H TRP 57 H TRP 57 -8.275 3.601 0.226 415 HA TRP 57 HA TRP 57 -7.247 1.224 -1.165 416 1HB TRP 57 1HB TRP 57 -9.085 3.435 -2.073 417 2HB TRP 57 2HB TRP 57 -8.264 2.368 -3.196 418 HD1 TRP 57 HD TRP 57 -11.295 2.485 -0.947 419 HE1 TRP 57 1HE TRP 57 -12.699 0.253 -1.034 420 HE3 TRP 57 3HE TRP 57 -7.805 -0.231 -3.456 421 HZ2 TRP 57 2HZ TRP 57 -12.204 -2.340 -2.118 422 HZ3 TRP 57 3HZ TRP 57 -8.345 -2.606 -3.990 423 HH2 TRP 57 HH TRP 57 -10.456 -3.665 -3.363 424 H PHE 58 H PHE 58 -5.323 1.440 -2.308 425 HA PHE 58 HA PHE 58 -4.292 4.136 -2.694 426 1HB PHE 58 1HB PHE 58 -2.110 3.363 -1.694 427 2HB PHE 58 2HB PHE 58 -3.401 3.275 -0.512 428 HD1 PHE 58 1HD PHE 58 -1.508 1.199 -2.944 429 HD2 PHE 58 2HD PHE 58 -3.860 1.264 0.587 430 HE1 PHE 58 1HE PHE 58 -0.983 -1.224 -2.550 431 HE2 PHE 58 2HE PHE 58 -3.335 -1.159 0.981 432 HZ PHE 58 HZ PHE 58 -1.903 -2.374 -0.592 433 HA PRO 59 HA PRO 59 -2.912 2.360 -6.396 434 1HB PRO 59 1HB PRO 59 -0.968 4.126 -7.151 435 2HB PRO 59 2HB PRO 59 -2.679 4.425 -7.388 436 1HG PRO 59 1HG PRO 59 -0.852 5.601 -5.384 437 2HG PRO 59 2HG PRO 59 -2.420 6.178 -5.912 438 1HD PRO 59 1HD PRO 59 -1.831 4.813 -3.459 439 2HD PRO 59 2HD PRO 59 -3.415 5.287 -4.041 440 H SER 60 H SER 60 -2.007 0.410 -6.502 441 HA SER 60 HA SER 60 -0.006 -0.374 -4.873 442 1HB SER 60 1HB SER 60 -1.203 -2.029 -6.107 443 2HB SER 60 2HB SER 60 -0.827 -1.284 -7.648 444 HG SER 60 HG SER 60 1.183 -2.161 -7.653 445 H SER 61 H SER 61 0.162 1.720 -7.676 446 HA SER 61 HA SER 61 2.844 1.219 -8.325 447 1HB SER 61 1HB SER 61 0.692 2.876 -9.264 448 2HB SER 61 2HB SER 61 2.074 3.921 -9.002 449 HG SER 61 HG SER 61 2.047 1.496 -10.590 450 H TYR 62 H TYR 62 1.151 3.285 -5.972 451 HA TYR 62 HA TYR 62 3.484 4.865 -5.396 452 1HB TYR 62 1HB TYR 62 0.598 4.505 -4.561 453 2HB TYR 62 2HB TYR 62 1.646 5.191 -3.336 454 HD1 TYR 62 1HD TYR 62 1.109 7.453 -3.174 455 HD2 TYR 62 2HD TYR 62 1.591 5.709 -7.051 456 HE1 TYR 62 1HE TYR 62 0.853 9.744 -4.245 457 HE2 TYR 62 2HE TYR 62 1.333 8.006 -8.108 458 HH TYR 62 HH TYR 62 1.383 10.196 -7.684 459 H THR 63 H THR 63 2.565 1.680 -4.702 460 HA THR 63 HA THR 63 4.205 1.722 -2.256 461 HB THR 63 HB THR 63 2.675 -0.220 -1.540 462 HG1 THR 63 1HG THR 63 1.822 -0.589 -3.710 463 1HG2 THR 63 1HG2 THR 63 1.294 2.462 -2.088 464 2HG2 THR 63 2HG2 THR 63 0.723 1.218 -0.949 465 3HG2 THR 63 3HG2 THR 63 2.248 2.080 -0.634 466 H LYS 64 H LYS 64 5.475 -0.198 -1.852 467 HA LYS 64 HA LYS 64 5.847 -1.837 -4.251 468 1HB LYS 64 1HB LYS 64 8.325 -1.690 -3.847 469 2HB LYS 64 2HB LYS 64 7.576 -0.228 -4.457 470 1HG LYS 64 1HG LYS 64 7.626 0.831 -2.290 471 2HG LYS 64 2HG LYS 64 7.968 -0.680 -1.472 472 1HD LYS 64 1HD LYS 64 10.159 -0.735 -2.907 473 2HD LYS 64 2HD LYS 64 9.828 0.954 -3.239 474 1HE LYS 64 1HE LYS 64 11.120 1.206 -1.325 475 2HE LYS 64 2HE LYS 64 9.541 1.085 -0.574 476 1HZ LYS 64 1HZ LYS 64 10.960 -0.420 0.500 477 2HZ LYS 64 2HZ LYS 64 9.969 -1.339 -0.418 478 3HZ LYS 64 3HZ LYS 64 11.507 -1.068 -0.896 479 H LEU 65 H LEU 65 7.020 -3.910 -3.750 480 HA LEU 65 HA LEU 65 5.901 -5.000 -1.350 481 1HB LEU 65 1HB LEU 65 7.371 -6.061 -3.732 482 2HB LEU 65 2HB LEU 65 7.231 -7.051 -2.293 483 HG LEU 65 HG LEU 65 4.717 -5.838 -3.337 484 1HD1 LEU 65 1HD1 LEU 65 4.421 -7.357 -5.121 485 2HD1 LEU 65 2HD1 LEU 65 6.032 -6.636 -5.354 486 3HD1 LEU 65 3HD1 LEU 65 5.880 -8.279 -4.685 487 1HD2 LEU 65 1HD2 LEU 65 5.571 -8.162 -1.728 488 2HD2 LEU 65 2HD2 LEU 65 4.104 -7.160 -1.625 489 3HD2 LEU 65 3HD2 LEU 65 4.212 -8.458 -2.838 490 H LEU 66 H LEU 66 6.919 -5.491 0.560 491 HA LEU 66 HA LEU 66 9.299 -4.159 1.156 492 1HB LEU 66 1HB LEU 66 7.812 -6.366 2.582 493 2HB LEU 66 2HB LEU 66 9.187 -5.517 3.260 494 HG LEU 66 HG LEU 66 6.378 -4.648 2.945 495 1HD1 LEU 66 1HD1 LEU 66 7.816 -3.173 4.900 496 2HD1 LEU 66 2HD1 LEU 66 6.628 -4.477 5.139 497 3HD1 LEU 66 3HD1 LEU 66 8.358 -4.866 4.994 498 1HD2 LEU 66 1HD2 LEU 66 7.576 -3.162 1.339 499 2HD2 LEU 66 2HD2 LEU 66 6.832 -2.306 2.710 500 3HD2 LEU 66 3HD2 LEU 66 8.588 -2.594 2.689 501 H SER 67 H SER 67 11.285 -5.347 2.130 502 HA SER 67 HA SER 67 11.828 -7.767 0.635 503 1HB SER 67 1HB SER 67 13.987 -6.932 -0.158 504 2HB SER 67 2HB SER 67 12.707 -5.879 -0.727 505 HG SER 67 HG SER 67 14.117 -4.413 0.077 506 H GLY 68 H GLY 68 11.747 -8.931 2.633 507 1HA GLY 68 1HA GLY 68 13.356 -8.032 4.871 508 2HA GLY 68 2HA GLY 68 12.330 -9.450 4.784 509 HA PRO 69 HA PRO 69 16.816 -10.485 3.966 510 1HB PRO 69 1HB PRO 69 17.835 -10.938 6.461 511 2HB PRO 69 2HB PRO 69 18.078 -9.440 5.584 512 1HG PRO 69 1HG PRO 69 16.282 -9.979 7.869 513 2HG PRO 69 2HG PRO 69 16.854 -8.438 7.262 514 1HD PRO 69 1HD PRO 69 14.252 -9.580 6.868 515 2HD PRO 69 2HD PRO 69 14.863 -8.095 6.165 516 H SER 70 H SER 70 17.924 -12.591 4.165 517 HA SER 70 HA SER 70 17.820 -14.758 4.164 518 1HB SER 70 1HB SER 70 16.109 -14.156 6.580 519 2HB SER 70 2HB SER 70 16.236 -15.814 6.026 520 HG SER 70 HG SER 70 17.880 -15.445 7.562 521 H SER 71 H SER 71 16.914 -15.726 2.388 522 HA SER 71 HA SER 71 15.454 -16.299 0.876 523 1HB SER 71 1HB SER 71 14.218 -17.036 3.481 524 2HB SER 71 2HB SER 71 13.102 -17.013 2.131 525 HG SER 71 HG SER 71 15.273 -18.742 2.652 526 H GLY 72 H GLY 72 14.977 -14.463 -0.357 527 1HA GLY 72 1HA GLY 72 12.632 -12.889 0.530 528 2HA GLY 72 2HA GLY 72 14.029 -12.187 -0.263 Start of MODEL 10 1 1H GLY 1 H GLY 1 -2.300 -13.646 17.073 2 1HA GLY 1 1HA GLY 1 -2.321 -16.002 17.706 3 2HA GLY 1 2HA GLY 1 -3.809 -16.178 16.797 4 H SER 2 H SER 2 -3.160 -17.623 15.195 5 HA SER 2 HA SER 2 -1.271 -16.507 13.308 6 1HB SER 2 1HB SER 2 -0.505 -18.539 15.051 7 2HB SER 2 2HB SER 2 -0.997 -19.437 13.629 8 HG SER 2 HG SER 2 1.315 -18.694 13.728 9 H SER 3 H SER 3 -2.633 -16.238 11.560 10 HA SER 3 HA SER 3 -3.577 -18.450 10.210 11 1HB SER 3 1HB SER 3 -5.896 -18.516 10.594 12 2HB SER 3 2HB SER 3 -5.246 -18.296 12.207 13 HG SER 3 HG SER 3 -7.105 -16.834 11.289 14 H GLY 4 H GLY 4 -4.276 -17.837 8.084 15 1HA GLY 4 1HA GLY 4 -5.340 -15.541 7.173 16 2HA GLY 4 2HA GLY 4 -3.660 -15.094 7.392 17 H SER 5 H SER 5 -4.722 -15.034 4.830 18 HA SER 5 HA SER 5 -3.633 -17.471 3.654 19 1HB SER 5 1HB SER 5 -6.127 -16.779 3.277 20 2HB SER 5 2HB SER 5 -5.484 -15.534 2.225 21 HG SER 5 HG SER 5 -5.720 -17.172 0.802 22 H SER 6 H SER 6 -4.281 -14.048 2.586 23 HA SER 6 HA SER 6 -1.457 -13.879 1.917 24 1HB SER 6 1HB SER 6 -3.503 -14.147 0.008 25 2HB SER 6 2HB SER 6 -3.180 -12.425 0.027 26 HG SER 6 HG SER 6 -1.692 -13.178 -1.417 27 H GLY 7 H GLY 7 -0.697 -12.257 3.231 28 1HA GLY 7 1HA GLY 7 -2.202 -9.734 3.283 29 2HA GLY 7 2HA GLY 7 -1.792 -10.511 4.799 30 H GLN 8 H GLN 8 0.067 -10.237 1.691 31 HA GLN 8 HA GLN 8 2.489 -9.918 2.886 32 1HB GLN 8 1HB GLN 8 1.335 -9.454 0.200 33 2HB GLN 8 2HB GLN 8 2.745 -8.467 0.527 34 1HG GLN 8 1HG GLN 8 2.564 -11.508 0.727 35 2HG GLN 8 2HG GLN 8 3.464 -10.591 -0.465 36 1HE2 GLN 8 1HE2 GLN 8 4.706 -12.495 1.000 37 2HE2 GLN 8 2HE2 GLN 8 5.821 -11.803 2.130 38 H LYS 9 H LYS 9 3.934 -7.814 2.569 39 HA LYS 9 HA LYS 9 2.342 -5.541 3.538 40 1HB LYS 9 1HB LYS 9 5.131 -6.384 4.383 41 2HB LYS 9 2HB LYS 9 4.319 -4.919 4.895 42 1HG LYS 9 1HG LYS 9 2.386 -6.806 5.471 43 2HG LYS 9 2HG LYS 9 3.845 -7.741 5.734 44 1HD LYS 9 1HD LYS 9 4.240 -5.135 6.916 45 2HD LYS 9 2HD LYS 9 2.680 -5.733 7.444 46 1HE LYS 9 1HE LYS 9 4.943 -7.706 7.498 47 2HE LYS 9 2HE LYS 9 5.023 -6.403 8.668 48 1HZ LYS 9 1HZ LYS 9 3.024 -8.492 8.411 49 2HZ LYS 9 2HZ LYS 9 3.762 -7.924 9.752 50 3HZ LYS 9 3HZ LYS 9 2.568 -7.060 9.050 51 H VAL 10 H VAL 10 2.859 -3.474 2.726 52 HA VAL 10 HA VAL 10 4.852 -3.474 0.573 53 HB VAL 10 HB VAL 10 3.223 -1.876 -0.583 54 1HG1 VAL 10 1HG1 VAL 10 3.553 -4.681 -0.676 55 2HG1 VAL 10 2HG1 VAL 10 1.805 -4.378 -0.821 56 3HG1 VAL 10 3HG1 VAL 10 2.939 -3.609 -1.958 57 1HG2 VAL 10 1HG2 VAL 10 1.154 -1.530 0.206 58 2HG2 VAL 10 2HG2 VAL 10 0.907 -3.258 0.554 59 3HG2 VAL 10 3HG2 VAL 10 1.742 -2.222 1.737 60 H LYS 11 H LYS 11 5.785 -1.333 0.139 61 HA LYS 11 HA LYS 11 5.466 0.463 2.443 62 1HB LYS 11 1HB LYS 11 7.550 -0.510 2.830 63 2HB LYS 11 2HB LYS 11 7.955 -0.594 1.128 64 1HG LYS 11 1HG LYS 11 8.169 1.870 1.016 65 2HG LYS 11 2HG LYS 11 7.651 2.018 2.684 66 1HD LYS 11 1HD LYS 11 9.931 0.152 2.318 67 2HD LYS 11 2HD LYS 11 10.293 1.797 1.834 68 1HE LYS 11 1HE LYS 11 10.152 2.613 3.989 69 2HE LYS 11 2HE LYS 11 8.816 1.564 4.416 70 1HZ LYS 11 1HZ LYS 11 11.152 1.150 5.376 71 2HZ LYS 11 2HZ LYS 11 10.224 -0.123 4.947 72 3HZ LYS 11 3HZ LYS 11 11.431 0.376 3.966 73 H THR 12 H THR 12 5.050 2.582 1.975 74 HA THR 12 HA THR 12 4.531 3.223 -0.775 75 HB THR 12 HB THR 12 3.621 5.289 0.231 76 HG1 THR 12 1HG THR 12 4.070 5.513 2.590 77 1HG2 THR 12 1HG2 THR 12 2.588 3.996 2.466 78 2HG2 THR 12 2HG2 THR 12 1.890 3.889 0.832 79 3HG2 THR 12 3HG2 THR 12 3.003 2.625 1.409 80 H ILE 13 H ILE 13 5.792 4.231 -2.219 81 HA ILE 13 HA ILE 13 8.391 5.126 -1.237 82 HB ILE 13 HB ILE 13 8.968 5.090 -3.675 83 1HG1 ILE 13 1HG1 ILE 13 6.333 3.625 -3.983 84 2HG1 ILE 13 2HG1 ILE 13 6.591 5.289 -4.470 85 1HG2 ILE 13 1HG2 ILE 13 8.085 2.559 -2.273 86 2HG2 ILE 13 2HG2 ILE 13 9.032 2.575 -3.780 87 3HG2 ILE 13 3HG2 ILE 13 9.705 3.297 -2.299 88 1HD1 ILE 13 1HD1 ILE 13 7.668 2.763 -5.679 89 2HD1 ILE 13 2HD1 ILE 13 7.110 4.255 -6.473 90 3HD1 ILE 13 3HD1 ILE 13 8.722 4.197 -5.721 91 H PHE 14 H PHE 14 5.298 6.328 -1.948 92 HA PHE 14 HA PHE 14 6.404 9.009 -2.105 93 1HB PHE 14 1HB PHE 14 4.221 7.885 -3.959 94 2HB PHE 14 2HB PHE 14 4.878 9.508 -4.027 95 HD1 PHE 14 1HD PHE 14 7.724 9.193 -3.971 96 HD2 PHE 14 2HD PHE 14 4.829 6.724 -5.851 97 HE1 PHE 14 1HE PHE 14 9.451 8.424 -5.622 98 HE2 PHE 14 2HE PHE 14 6.556 5.955 -7.502 99 HZ PHE 14 HZ PHE 14 8.847 6.814 -7.367 100 HA PRO 15 HA PRO 15 3.050 9.740 0.541 101 1HB PRO 15 1HB PRO 15 2.909 12.468 0.447 102 2HB PRO 15 2HB PRO 15 4.070 11.602 1.434 103 1HG PRO 15 1HG PRO 15 4.510 13.045 -1.108 104 2HG PRO 15 2HG PRO 15 5.688 12.550 0.091 105 1HD PRO 15 1HD PRO 15 5.180 11.293 -2.436 106 2HD PRO 15 2HD PRO 15 6.274 10.732 -1.188 107 H HIS 16 H HIS 16 0.816 10.148 0.735 108 HA HIS 16 HA HIS 16 -0.473 11.350 -1.494 109 1HB HIS 16 1HB HIS 16 -0.046 9.231 -2.549 110 2HB HIS 16 2HB HIS 16 -0.628 8.347 -1.152 111 HD1 HIS 16 1HD HIS 16 -3.184 8.053 -0.880 112 HD2 HIS 16 2HD HIS 16 -2.088 10.401 -4.179 113 HE1 HIS 16 1HE HIS 16 -5.293 8.338 -2.288 114 H THR 17 H THR 17 -1.414 12.714 0.057 115 HA THR 17 HA THR 17 -2.857 11.465 2.255 116 HB THR 17 HB THR 17 -2.173 14.341 1.463 117 HG1 THR 17 1HG THR 17 -0.742 13.992 3.265 118 1HG2 THR 17 1HG2 THR 17 -3.951 13.210 3.634 119 2HG2 THR 17 2HG2 THR 17 -2.861 14.553 4.055 120 3HG2 THR 17 3HG2 THR 17 -4.079 14.763 2.773 121 H ALA 18 H ALA 18 -5.091 11.663 2.627 122 HA ALA 18 HA ALA 18 -6.599 11.719 0.180 123 1HB ALA 18 1HB ALA 18 -7.008 10.918 3.034 124 2HB ALA 18 2HB ALA 18 -8.453 11.366 2.097 125 3HB ALA 18 3HB ALA 18 -7.402 10.044 1.534 126 H GLY 19 H GLY 19 -6.577 13.541 3.324 127 1HA GLY 19 1HA GLY 19 -6.890 15.788 3.614 128 2HA GLY 19 2HA GLY 19 -7.284 15.972 1.916 129 H ASN 20 H ASN 20 -9.421 14.464 1.349 130 HA ASN 20 HA ASN 20 -11.343 15.072 3.451 131 1HB ASN 20 1HB ASN 20 -11.180 16.237 0.816 132 2HB ASN 20 2HB ASN 20 -12.586 15.190 0.823 133 1HD2 ASN 20 1HD2 ASN 20 -11.158 18.095 1.947 134 2HD2 ASN 20 2HD2 ASN 20 -12.490 18.726 2.856 135 H ASN 21 H ASN 21 -10.702 13.361 0.300 136 HA ASN 21 HA ASN 21 -12.705 11.636 0.188 137 1HB ASN 21 1HB ASN 21 -9.967 11.729 -0.767 138 2HB ASN 21 2HB ASN 21 -10.311 10.080 -0.284 139 1HD2 ASN 21 1HD2 ASN 21 -10.383 12.176 -2.779 140 2HD2 ASN 21 2HD2 ASN 21 -11.611 11.483 -3.785 141 H LYS 22 H LYS 22 -12.965 9.320 0.915 142 HA LYS 22 HA LYS 22 -11.698 8.906 3.532 143 1HB LYS 22 1HB LYS 22 -14.463 8.499 2.511 144 2HB LYS 22 2HB LYS 22 -13.848 7.277 3.604 145 1HG LYS 22 1HG LYS 22 -13.037 9.691 4.800 146 2HG LYS 22 2HG LYS 22 -14.628 10.064 4.166 147 1HD LYS 22 1HD LYS 22 -15.325 7.753 5.256 148 2HD LYS 22 2HD LYS 22 -13.854 7.942 6.189 149 1HE LYS 22 1HE LYS 22 -14.869 10.432 6.549 150 2HE LYS 22 2HE LYS 22 -16.375 9.584 6.259 151 1HZ LYS 22 1HZ LYS 22 -15.290 9.699 8.613 152 2HZ LYS 22 2HZ LYS 22 -16.139 8.388 8.138 153 3HZ LYS 22 3HZ LYS 22 -14.506 8.362 8.098 154 H THR 23 H THR 23 -12.916 7.222 0.559 155 HA THR 23 HA THR 23 -11.928 4.718 1.079 156 HB THR 23 HB THR 23 -13.383 5.163 -0.816 157 HG1 THR 23 1HG THR 23 -12.020 4.101 -2.406 158 1HG2 THR 23 1HG2 THR 23 -11.268 6.501 -2.448 159 2HG2 THR 23 2HG2 THR 23 -13.026 6.783 -2.427 160 3HG2 THR 23 3HG2 THR 23 -11.991 7.521 -1.181 161 H LEU 24 H LEU 24 -10.166 7.616 -0.077 162 HA LEU 24 HA LEU 24 -7.783 6.157 -0.598 163 1HB LEU 24 1HB LEU 24 -8.249 9.115 -0.197 164 2HB LEU 24 2HB LEU 24 -6.779 8.387 -0.812 165 HG LEU 24 HG LEU 24 -9.496 8.252 -2.151 166 1HD1 LEU 24 1HD1 LEU 24 -8.931 10.428 -2.541 167 2HD1 LEU 24 2HD1 LEU 24 -7.182 10.120 -2.416 168 3HD1 LEU 24 3HD1 LEU 24 -8.066 9.651 -3.889 169 1HD2 LEU 24 1HD2 LEU 24 -8.439 6.319 -2.866 170 2HD2 LEU 24 2HD2 LEU 24 -7.978 7.498 -4.118 171 3HD2 LEU 24 3HD2 LEU 24 -6.822 7.063 -2.836 172 H LEU 25 H LEU 25 -6.001 5.780 0.703 173 HA LEU 25 HA LEU 25 -6.479 6.241 3.538 174 1HB LEU 25 1HB LEU 25 -5.819 4.000 2.335 175 2HB LEU 25 2HB LEU 25 -4.196 4.654 2.435 176 HG LEU 25 HG LEU 25 -4.469 4.874 4.904 177 1HD1 LEU 25 1HD1 LEU 25 -6.663 3.024 5.213 178 2HD1 LEU 25 2HD1 LEU 25 -6.421 4.635 5.930 179 3HD1 LEU 25 3HD1 LEU 25 -7.190 4.479 4.333 180 1HD2 LEU 25 1HD2 LEU 25 -3.415 2.926 4.972 181 2HD2 LEU 25 2HD2 LEU 25 -4.959 2.060 4.794 182 3HD2 LEU 25 3HD2 LEU 25 -4.036 2.538 3.350 183 H SER 26 H SER 26 -5.465 7.818 4.665 184 HA SER 26 HA SER 26 -3.529 9.372 3.214 185 1HB SER 26 1HB SER 26 -3.857 11.051 4.921 186 2HB SER 26 2HB SER 26 -5.436 10.428 4.486 187 HG SER 26 HG SER 26 -3.871 9.627 6.791 188 H PHE 27 H PHE 27 -1.345 9.077 3.468 189 HA PHE 27 HA PHE 27 -0.308 8.383 6.056 190 1HB PHE 27 1HB PHE 27 0.886 6.359 5.039 191 2HB PHE 27 2HB PHE 27 -0.852 6.153 5.135 192 HD1 PHE 27 1HD PHE 27 1.782 7.316 2.763 193 HD2 PHE 27 2HD PHE 27 -2.009 5.472 3.248 194 HE1 PHE 27 1HE PHE 27 1.704 6.829 0.302 195 HE2 PHE 27 2HE PHE 27 -2.087 4.985 0.787 196 HZ PHE 27 HZ PHE 27 -0.230 5.670 -0.657 197 H ALA 28 H ALA 28 2.258 7.980 5.715 198 HA ALA 28 HA ALA 28 3.112 10.058 3.816 199 1HB ALA 28 1HB ALA 28 4.657 10.828 5.406 200 2HB ALA 28 2HB ALA 28 3.230 10.440 6.398 201 3HB ALA 28 3HB ALA 28 4.605 9.311 6.336 202 H GLN 29 H GLN 29 5.216 9.724 2.792 203 HA GLN 29 HA GLN 29 5.501 7.180 1.814 204 1HB GLN 29 1HB GLN 29 6.357 9.128 0.625 205 2HB GLN 29 2HB GLN 29 7.471 9.501 1.925 206 1HG GLN 29 1HG GLN 29 8.574 7.232 1.525 207 2HG GLN 29 2HG GLN 29 7.551 7.044 0.115 208 1HE2 GLN 29 1HE2 GLN 29 9.967 6.884 -0.577 209 2HE2 GLN 29 2HE2 GLN 29 10.653 8.326 -1.249 210 H GLY 30 H GLY 30 6.473 5.330 2.557 211 1HA GLY 30 1HA GLY 30 8.455 4.382 3.592 212 2HA GLY 30 2HA GLY 30 8.344 5.615 4.832 213 H ASP 31 H ASP 31 5.396 5.541 5.088 214 HA ASP 31 HA ASP 31 5.143 3.792 7.113 215 1HB ASP 31 1HB ASP 31 3.095 4.889 5.148 216 2HB ASP 31 2HB ASP 31 2.600 3.878 6.492 217 H VAL 32 H VAL 32 3.996 1.667 7.290 218 HA VAL 32 HA VAL 32 4.151 0.149 4.779 219 HB VAL 32 HB VAL 32 4.668 -0.626 7.650 220 1HG1 VAL 32 1HG1 VAL 32 5.201 -2.770 5.804 221 2HG1 VAL 32 2HG1 VAL 32 4.139 -2.752 7.232 222 3HG1 VAL 32 3HG1 VAL 32 3.505 -2.257 5.644 223 1HG2 VAL 32 1HG2 VAL 32 6.876 -1.320 6.729 224 2HG2 VAL 32 2HG2 VAL 32 6.393 -0.652 5.151 225 3HG2 VAL 32 3HG2 VAL 32 6.560 0.424 6.559 226 H LEU 33 H LEU 33 2.347 -0.958 4.088 227 HA LEU 33 HA LEU 33 0.043 -0.872 5.909 228 1HB LEU 33 1HB LEU 33 -0.281 -0.750 2.939 229 2HB LEU 33 2HB LEU 33 -1.378 -0.238 4.206 230 HG LEU 33 HG LEU 33 1.190 1.243 4.055 231 1HD1 LEU 33 1HD1 LEU 33 0.127 0.730 1.636 232 2HD1 LEU 33 2HD1 LEU 33 -0.827 2.164 2.085 233 3HD1 LEU 33 3HD1 LEU 33 0.950 2.253 2.049 234 1HD2 LEU 33 1HD2 LEU 33 -0.336 3.164 4.450 235 2HD2 LEU 33 2HD2 LEU 33 -1.711 2.034 4.429 236 3HD2 LEU 33 3HD2 LEU 33 -0.458 1.889 5.686 237 H THR 34 H THR 34 -1.236 -2.734 6.033 238 HA THR 34 HA THR 34 0.044 -5.104 4.898 239 HB THR 34 HB THR 34 -1.993 -4.608 7.127 240 HG1 THR 34 1HG THR 34 0.706 -5.748 6.942 241 1HG2 THR 34 1HG2 THR 34 -2.526 -6.827 7.059 242 2HG2 THR 34 2HG2 THR 34 -1.513 -7.037 5.611 243 3HG2 THR 34 3HG2 THR 34 -0.799 -7.223 7.231 244 H LEU 35 H LEU 35 -0.705 -6.131 3.158 245 HA LEU 35 HA LEU 35 -3.033 -5.146 1.869 246 1HB LEU 35 1HB LEU 35 -1.196 -7.477 1.325 247 2HB LEU 35 2HB LEU 35 -2.550 -7.054 0.296 248 HG LEU 35 HG LEU 35 -1.048 -4.676 0.649 249 1HD1 LEU 35 1HD1 LEU 35 0.985 -6.213 -0.625 250 2HD1 LEU 35 2HD1 LEU 35 1.088 -5.226 0.854 251 3HD1 LEU 35 3HD1 LEU 35 0.643 -6.946 0.961 252 1HD2 LEU 35 1HD2 LEU 35 -0.508 -5.230 -1.853 253 2HD2 LEU 35 2HD2 LEU 35 -1.662 -6.562 -1.599 254 3HD2 LEU 35 3HD2 LEU 35 -2.178 -4.877 -1.346 255 H LEU 36 H LEU 36 -5.020 -6.278 1.436 256 HA LEU 36 HA LEU 36 -5.571 -8.343 3.452 257 1HB LEU 36 1HB LEU 36 -7.453 -6.258 2.340 258 2HB LEU 36 2HB LEU 36 -7.867 -7.509 3.495 259 HG LEU 36 HG LEU 36 -5.925 -5.229 3.961 260 1HD1 LEU 36 1HD1 LEU 36 -7.898 -4.133 4.168 261 2HD1 LEU 36 2HD1 LEU 36 -8.819 -5.615 4.522 262 3HD1 LEU 36 3HD1 LEU 36 -7.838 -4.850 5.796 263 1HD2 LEU 36 1HD2 LEU 36 -5.069 -6.392 5.641 264 2HD2 LEU 36 2HD2 LEU 36 -6.680 -6.477 6.392 265 3HD2 LEU 36 3HD2 LEU 36 -6.148 -7.760 5.279 266 H ILE 37 H ILE 37 -6.354 -7.082 0.152 267 HA ILE 37 HA ILE 37 -7.365 -9.737 -0.521 268 HB ILE 37 HB ILE 37 -8.184 -8.615 -2.567 269 1HG1 ILE 37 1HG1 ILE 37 -7.394 -6.003 -1.261 270 2HG1 ILE 37 2HG1 ILE 37 -6.398 -6.790 -2.470 271 1HG2 ILE 37 1HG2 ILE 37 -9.528 -6.868 -0.783 272 2HG2 ILE 37 2HG2 ILE 37 -10.052 -8.458 -1.386 273 3HG2 ILE 37 3HG2 ILE 37 -9.118 -8.342 0.125 274 1HD1 ILE 37 1HD1 ILE 37 -7.959 -5.077 -3.444 275 2HD1 ILE 37 2HD1 ILE 37 -8.216 -6.706 -4.115 276 3HD1 ILE 37 3HD1 ILE 37 -9.333 -6.062 -2.888 277 HA PRO 38 HA PRO 38 -3.668 -10.626 -2.585 278 1HB PRO 38 1HB PRO 38 -4.456 -12.838 -3.985 279 2HB PRO 38 2HB PRO 38 -3.981 -12.889 -2.299 280 1HG PRO 38 1HG PRO 38 -6.692 -13.047 -3.467 281 2HG PRO 38 2HG PRO 38 -6.159 -13.514 -1.864 282 1HD PRO 38 1HD PRO 38 -7.611 -11.142 -2.566 283 2HD PRO 38 2HD PRO 38 -6.977 -11.553 -0.985 284 H GLU 39 H GLU 39 -6.534 -9.766 -4.175 285 HA GLU 39 HA GLU 39 -5.078 -9.558 -6.675 286 1HB GLU 39 1HB GLU 39 -7.388 -9.002 -7.606 287 2HB GLU 39 2HB GLU 39 -7.204 -10.621 -6.961 288 1HG GLU 39 1HG GLU 39 -8.152 -8.452 -5.088 289 2HG GLU 39 2HG GLU 39 -9.285 -9.062 -6.278 290 H GLU 40 H GLU 40 -6.132 -7.426 -7.969 291 HA GLU 40 HA GLU 40 -5.784 -5.217 -6.099 292 1HB GLU 40 1HB GLU 40 -4.582 -3.999 -7.961 293 2HB GLU 40 2HB GLU 40 -3.708 -5.375 -7.318 294 1HG GLU 40 1HG GLU 40 -5.427 -6.305 -9.457 295 2HG GLU 40 2HG GLU 40 -4.533 -4.912 -10.033 296 H LYS 41 H LYS 41 -6.640 -3.068 -7.092 297 HA LYS 41 HA LYS 41 -9.185 -3.707 -8.376 298 1HB LYS 41 1HB LYS 41 -8.405 -1.991 -6.230 299 2HB LYS 41 2HB LYS 41 -9.011 -0.978 -7.525 300 1HG LYS 41 1HG LYS 41 -10.877 -2.999 -7.572 301 2HG LYS 41 2HG LYS 41 -10.449 -3.011 -5.873 302 1HD LYS 41 1HD LYS 41 -12.157 -1.411 -5.883 303 2HD LYS 41 2HD LYS 41 -10.745 -0.385 -6.038 304 1HE LYS 41 1HE LYS 41 -11.141 0.071 -8.307 305 2HE LYS 41 2HE LYS 41 -12.002 -1.433 -8.574 306 1HZ LYS 41 1HZ LYS 41 -13.471 0.468 -8.522 307 2HZ LYS 41 2HZ LYS 41 -13.831 -0.564 -7.308 308 3HZ LYS 41 3HZ LYS 41 -13.027 0.822 -6.990 309 H ASP 42 H ASP 42 -7.258 -4.045 -10.200 310 HA ASP 42 HA ASP 42 -6.709 -3.448 -12.215 311 1HB ASP 42 1HB ASP 42 -8.294 -0.867 -11.838 312 2HB ASP 42 2HB ASP 42 -7.813 -1.579 -13.366 313 H GLY 43 H GLY 43 -4.793 -2.993 -10.359 314 1HA GLY 43 1HA GLY 43 -2.752 -1.812 -10.707 315 2HA GLY 43 2HA GLY 43 -3.665 -0.370 -11.105 316 H TRP 44 H TRP 44 -5.657 -0.560 -8.972 317 HA TRP 44 HA TRP 44 -4.041 0.523 -6.853 318 1HB TRP 44 1HB TRP 44 -7.008 0.281 -7.326 319 2HB TRP 44 2HB TRP 44 -6.345 0.863 -5.811 320 HD1 TRP 44 HD TRP 44 -6.012 1.822 -9.594 321 HE1 TRP 44 1HE TRP 44 -5.797 4.438 -9.864 322 HE3 TRP 44 3HE TRP 44 -6.022 2.863 -4.617 323 HZ2 TRP 44 2HZ TRP 44 -5.658 6.601 -8.007 324 HZ3 TRP 44 3HZ TRP 44 -5.843 5.252 -3.930 325 HH2 TRP 44 HH TRP 44 -5.665 7.089 -5.533 326 H LEU 45 H LEU 45 -4.072 -0.304 -4.641 327 HA LEU 45 HA LEU 45 -4.995 -3.074 -4.427 328 1HB LEU 45 1HB LEU 45 -2.234 -2.011 -4.089 329 2HB LEU 45 2HB LEU 45 -2.778 -3.238 -2.962 330 HG LEU 45 HG LEU 45 -2.913 -3.593 -5.964 331 1HD1 LEU 45 1HD1 LEU 45 -0.811 -4.549 -6.031 332 2HD1 LEU 45 2HD1 LEU 45 -0.563 -3.185 -4.914 333 3HD1 LEU 45 3HD1 LEU 45 -0.763 -4.834 -4.275 334 1HD2 LEU 45 1HD2 LEU 45 -4.400 -5.022 -4.599 335 2HD2 LEU 45 2HD2 LEU 45 -3.151 -5.947 -5.466 336 3HD2 LEU 45 3HD2 LEU 45 -2.976 -5.632 -3.723 337 H TYR 46 H TYR 46 -5.554 -3.729 -2.258 338 HA TYR 46 HA TYR 46 -6.122 -1.401 -0.561 339 1HB TYR 46 1HB TYR 46 -7.830 -3.198 -1.634 340 2HB TYR 46 2HB TYR 46 -7.252 -4.236 -0.346 341 HD1 TYR 46 1HD TYR 46 -8.635 -4.347 1.502 342 HD2 TYR 46 2HD TYR 46 -8.390 -0.662 -0.657 343 HE1 TYR 46 1HE TYR 46 -10.313 -3.293 3.096 344 HE2 TYR 46 2HE TYR 46 -10.068 0.380 0.943 345 HH TYR 46 HH TYR 46 -11.261 -1.439 3.738 346 H GLY 47 H GLY 47 -5.949 -1.684 1.798 347 1HA GLY 47 1HA GLY 47 -4.709 -3.924 2.971 348 2HA GLY 47 2HA GLY 47 -3.480 -2.737 2.581 349 H GLU 48 H GLU 48 -3.564 -3.085 5.175 350 HA GLU 48 HA GLU 48 -5.403 -1.067 6.198 351 1HB GLU 48 1HB GLU 48 -5.642 -3.367 7.163 352 2HB GLU 48 2HB GLU 48 -3.978 -3.302 7.709 353 1HG GLU 48 1HG GLU 48 -4.427 -1.691 9.360 354 2HG GLU 48 2HG GLU 48 -5.814 -1.044 8.507 355 H HIS 49 H HIS 49 -4.587 0.606 7.584 356 HA HIS 49 HA HIS 49 -1.825 1.200 7.057 357 1HB HIS 49 1HB HIS 49 -3.792 2.832 6.938 358 2HB HIS 49 2HB HIS 49 -3.782 2.825 8.690 359 HD1 HIS 49 1HD HIS 49 -1.117 3.321 9.661 360 HD2 HIS 49 2HD HIS 49 -2.302 4.883 5.953 361 HE1 HIS 49 1HE HIS 49 0.475 5.251 9.157 362 H ASP 50 H ASP 50 -0.152 1.342 8.590 363 HA ASP 50 HA ASP 50 -0.652 -0.240 10.927 364 1HB ASP 50 1HB ASP 50 1.432 -0.277 9.307 365 2HB ASP 50 2HB ASP 50 1.973 1.115 10.224 366 H THR 51 H THR 51 -2.057 2.209 11.044 367 HA THR 51 HA THR 51 -0.872 3.411 13.366 368 HB THR 51 HB THR 51 -1.236 5.044 10.798 369 HG1 THR 51 1HG THR 51 0.746 3.929 10.709 370 1HG2 THR 51 1HG2 THR 51 0.198 6.655 12.349 371 2HG2 THR 51 2HG2 THR 51 -1.572 6.625 12.534 372 3HG2 THR 51 3HG2 THR 51 -0.542 5.727 13.675 373 H THR 52 H THR 52 -3.145 4.892 11.016 374 HA THR 52 HA THR 52 -5.058 5.454 12.936 375 HB THR 52 HB THR 52 -6.534 5.603 10.779 376 HG1 THR 52 1HG THR 52 -5.002 3.940 9.784 377 1HG2 THR 52 1HG2 THR 52 -4.848 7.440 11.755 378 2HG2 THR 52 2HG2 THR 52 -3.877 6.987 10.334 379 3HG2 THR 52 3HG2 THR 52 -5.523 7.628 10.119 380 H LYS 53 H LYS 53 -4.273 2.412 11.403 381 HA LYS 53 HA LYS 53 -5.028 0.375 11.854 382 1HB LYS 53 1HB LYS 53 -6.061 1.880 14.066 383 2HB LYS 53 2HB LYS 53 -7.289 0.740 13.552 384 1HG LYS 53 1HG LYS 53 -5.892 -0.414 15.151 385 2HG LYS 53 2HG LYS 53 -5.519 -1.086 13.576 386 1HD LYS 53 1HD LYS 53 -3.340 -0.563 13.906 387 2HD LYS 53 2HD LYS 53 -3.769 1.136 13.866 388 1HE LYS 53 1HE LYS 53 -4.301 1.020 16.337 389 2HE LYS 53 2HE LYS 53 -3.763 -0.648 16.348 390 1HZ LYS 53 1HZ LYS 53 -2.147 1.722 15.736 391 2HZ LYS 53 2HZ LYS 53 -1.960 0.685 16.983 392 3HZ LYS 53 3HZ LYS 53 -1.622 0.201 15.461 393 H ALA 54 H ALA 54 -6.511 2.820 10.232 394 HA ALA 54 HA ALA 54 -8.877 1.264 9.521 395 1HB ALA 54 1HB ALA 54 -8.054 4.073 8.688 396 2HB ALA 54 2HB ALA 54 -9.653 3.317 8.491 397 3HB ALA 54 3HB ALA 54 -9.045 3.703 10.119 398 H ARG 55 H ARG 55 -9.362 0.874 7.223 399 HA ARG 55 HA ARG 55 -6.874 0.590 5.741 400 1HB ARG 55 1HB ARG 55 -9.455 -0.969 5.259 401 2HB ARG 55 2HB ARG 55 -7.861 -1.344 4.637 402 1HG ARG 55 1HG ARG 55 -7.552 -2.679 6.445 403 2HG ARG 55 2HG ARG 55 -7.486 -1.232 7.431 404 1HD ARG 55 1HD ARG 55 -10.214 -1.514 7.145 405 2HD ARG 55 2HD ARG 55 -9.714 -3.193 7.090 406 HE ARG 55 HE ARG 55 -8.435 -1.718 9.264 407 1HH1 ARG 55 2HH2 ARG 55 -11.334 -3.475 8.319 408 2HH1 ARG 55 1HH2 ARG 55 -11.776 -3.874 9.945 409 1HH2 ARG 55 2HH1 ARG 55 -9.018 -2.245 11.410 410 2HH2 ARG 55 1HH1 ARG 55 -10.450 -3.169 11.715 411 H GLY 56 H GLY 56 -6.759 1.420 3.613 412 1HA GLY 56 1HA GLY 56 -9.224 2.646 2.543 413 2HA GLY 56 2HA GLY 56 -7.725 3.549 2.643 414 H TRP 57 H TRP 57 -8.254 3.650 0.191 415 HA TRP 57 HA TRP 57 -7.191 1.243 -1.120 416 1HB TRP 57 1HB TRP 57 -9.092 3.372 -2.104 417 2HB TRP 57 2HB TRP 57 -8.301 2.226 -3.168 418 HD1 TRP 57 HD TRP 57 -11.055 2.381 -0.490 419 HE1 TRP 57 1HE TRP 57 -12.528 0.191 -0.496 420 HE3 TRP 57 3HE TRP 57 -8.122 -0.213 -3.734 421 HZ2 TRP 57 2HZ TRP 57 -12.306 -2.324 -1.826 422 HZ3 TRP 57 3HZ TRP 57 -8.821 -2.530 -4.334 423 HH2 TRP 57 HH TRP 57 -10.833 -3.588 -3.437 424 H PHE 58 H PHE 58 -5.307 1.462 -2.330 425 HA PHE 58 HA PHE 58 -4.364 4.166 -2.859 426 1HB PHE 58 1HB PHE 58 -2.135 3.498 -1.892 427 2HB PHE 58 2HB PHE 58 -3.388 3.418 -0.670 428 HD1 PHE 58 1HD PHE 58 -1.344 1.368 -2.968 429 HD2 PHE 58 2HD PHE 58 -3.912 1.377 0.410 430 HE1 PHE 58 1HE PHE 58 -0.734 -1.021 -2.498 431 HE2 PHE 58 2HE PHE 58 -3.302 -1.012 0.880 432 HZ PHE 58 HZ PHE 58 -1.720 -2.182 -0.579 433 HA PRO 59 HA PRO 59 -3.044 2.274 -6.525 434 1HB PRO 59 1HB PRO 59 -1.174 4.059 -7.411 435 2HB PRO 59 2HB PRO 59 -2.898 4.302 -7.608 436 1HG PRO 59 1HG PRO 59 -1.048 5.610 -5.710 437 2HG PRO 59 2HG PRO 59 -2.646 6.122 -6.214 438 1HD PRO 59 1HD PRO 59 -1.948 4.877 -3.726 439 2HD PRO 59 2HD PRO 59 -3.561 5.283 -4.278 440 H SER 60 H SER 60 -1.982 0.433 -6.852 441 HA SER 60 HA SER 60 -0.015 -0.362 -5.173 442 1HB SER 60 1HB SER 60 0.391 -2.168 -6.718 443 2HB SER 60 2HB SER 60 -1.315 -1.782 -6.814 444 HG SER 60 HG SER 60 -1.027 -1.476 -8.904 445 H SER 61 H SER 61 0.156 1.855 -7.895 446 HA SER 61 HA SER 61 2.891 1.525 -8.421 447 1HB SER 61 1HB SER 61 0.689 3.150 -9.373 448 2HB SER 61 2HB SER 61 2.075 4.186 -9.095 449 HG SER 61 HG SER 61 2.044 3.268 -11.259 450 H TYR 62 H TYR 62 1.011 3.241 -5.985 451 HA TYR 62 HA TYR 62 3.261 4.936 -5.260 452 1HB TYR 62 1HB TYR 62 0.308 4.566 -4.670 453 2HB TYR 62 2HB TYR 62 1.259 5.284 -3.385 454 HD1 TYR 62 1HD TYR 62 1.458 5.727 -7.106 455 HD2 TYR 62 2HD TYR 62 0.710 7.546 -3.306 456 HE1 TYR 62 1HE TYR 62 1.263 8.001 -8.225 457 HE2 TYR 62 2HE TYR 62 0.518 9.814 -4.439 458 HH TYR 62 HH TYR 62 1.677 10.646 -7.011 459 H THR 63 H THR 63 2.838 1.767 -4.916 460 HA THR 63 HA THR 63 4.102 1.757 -2.294 461 HB THR 63 HB THR 63 2.488 -0.151 -1.642 462 HG1 THR 63 1HG THR 63 1.748 -0.347 -3.932 463 1HG2 THR 63 1HG2 THR 63 1.181 2.566 -2.189 464 2HG2 THR 63 2HG2 THR 63 0.611 1.343 -1.029 465 3HG2 THR 63 3HG2 THR 63 2.151 2.188 -0.745 466 H LYS 64 H LYS 64 5.342 -0.159 -1.867 467 HA LYS 64 HA LYS 64 5.708 -1.845 -4.233 468 1HB LYS 64 1HB LYS 64 7.977 -0.623 -2.636 469 2HB LYS 64 2HB LYS 64 8.125 -1.696 -4.013 470 1HG LYS 64 1HG LYS 64 6.443 0.332 -4.974 471 2HG LYS 64 2HG LYS 64 7.565 1.204 -3.949 472 1HD LYS 64 1HD LYS 64 9.385 0.748 -5.302 473 2HD LYS 64 2HD LYS 64 8.807 -0.850 -5.730 474 1HE LYS 64 1HE LYS 64 6.918 0.975 -6.846 475 2HE LYS 64 2HE LYS 64 8.495 1.659 -7.186 476 1HZ LYS 64 1HZ LYS 64 8.056 -1.181 -7.648 477 2HZ LYS 64 2HZ LYS 64 7.503 -0.102 -8.741 478 3HZ LYS 64 3HZ LYS 64 9.097 -0.166 -8.391 479 H LEU 65 H LEU 65 6.682 -3.965 -3.726 480 HA LEU 65 HA LEU 65 5.584 -4.963 -1.290 481 1HB LEU 65 1HB LEU 65 6.995 -6.121 -3.663 482 2HB LEU 65 2HB LEU 65 6.816 -7.082 -2.209 483 HG LEU 65 HG LEU 65 4.338 -5.786 -3.203 484 1HD1 LEU 65 1HD1 LEU 65 3.962 -7.267 -5.023 485 2HD1 LEU 65 2HD1 LEU 65 5.552 -6.510 -5.287 486 3HD1 LEU 65 3HD1 LEU 65 5.450 -8.180 -4.679 487 1HD2 LEU 65 1HD2 LEU 65 3.540 -8.201 -2.729 488 2HD2 LEU 65 2HD2 LEU 65 5.126 -8.404 -1.948 489 3HD2 LEU 65 3HD2 LEU 65 3.998 -7.159 -1.361 490 H LEU 66 H LEU 66 6.593 -5.443 0.624 491 HA LEU 66 HA LEU 66 9.026 -4.205 1.185 492 1HB LEU 66 1HB LEU 66 7.477 -6.345 2.647 493 2HB LEU 66 2HB LEU 66 8.883 -5.532 3.304 494 HG LEU 66 HG LEU 66 6.100 -4.585 3.006 495 1HD1 LEU 66 1HD1 LEU 66 7.427 -3.088 4.934 496 2HD1 LEU 66 2HD1 LEU 66 6.448 -4.550 5.203 497 3HD1 LEU 66 3HD1 LEU 66 8.212 -4.684 5.005 498 1HD2 LEU 66 1HD2 LEU 66 6.612 -2.261 2.722 499 2HD2 LEU 66 2HD2 LEU 66 8.360 -2.595 2.689 500 3HD2 LEU 66 3HD2 LEU 66 7.321 -3.160 1.359 501 H SER 67 H SER 67 10.936 -5.524 2.232 502 HA SER 67 HA SER 67 11.387 -7.981 0.801 503 1HB SER 67 1HB SER 67 12.892 -5.419 0.316 504 2HB SER 67 2HB SER 67 13.806 -6.914 0.306 505 HG SER 67 HG SER 67 12.867 -7.537 -1.544 506 H GLY 68 H GLY 68 11.277 -8.907 2.955 507 1HA GLY 68 1HA GLY 68 12.779 -7.967 5.141 508 2HA GLY 68 2HA GLY 68 12.090 -9.566 4.945 509 HA PRO 69 HA PRO 69 16.657 -9.865 4.624 510 1HB PRO 69 1HB PRO 69 17.171 -11.263 6.915 511 2HB PRO 69 2HB PRO 69 17.317 -9.520 6.803 512 1HG PRO 69 1HG PRO 69 15.196 -11.122 8.097 513 2HG PRO 69 2HG PRO 69 15.591 -9.431 8.330 514 1HD PRO 69 1HD PRO 69 13.397 -10.489 6.814 515 2HD PRO 69 2HD PRO 69 13.860 -8.804 6.952 516 H SER 70 H SER 70 17.900 -11.567 3.812 517 HA SER 70 HA SER 70 18.196 -13.512 2.898 518 1HB SER 70 1HB SER 70 17.013 -14.131 5.407 519 2HB SER 70 2HB SER 70 16.210 -15.171 4.247 520 HG SER 70 HG SER 70 18.106 -16.185 3.748 521 H SER 71 H SER 71 17.394 -14.700 1.084 522 HA SER 71 HA SER 71 14.624 -14.052 0.438 523 1HB SER 71 1HB SER 71 17.080 -14.305 -1.338 524 2HB SER 71 2HB SER 71 15.458 -14.363 -1.998 525 HG SER 71 HG SER 71 15.821 -12.215 -0.252 526 H GLY 72 H GLY 72 17.283 -16.407 -0.388 527 1HA GLY 72 1HA GLY 72 15.344 -18.593 -0.020 528 2HA GLY 72 2HA GLY 72 16.250 -18.472 -1.516 Start of MODEL 11 1 1H GLY 1 H GLY 1 -6.476 -16.233 14.390 2 1HA GLY 1 1HA GLY 1 -7.374 -18.309 12.689 3 2HA GLY 1 2HA GLY 1 -7.125 -16.626 12.271 4 H SER 2 H SER 2 -5.570 -16.211 10.764 5 HA SER 2 HA SER 2 -3.208 -17.871 10.806 6 1HB SER 2 1HB SER 2 -4.769 -17.389 8.232 7 2HB SER 2 2HB SER 2 -3.305 -18.336 8.404 8 HG SER 2 HG SER 2 -4.762 -19.935 8.560 9 H SER 3 H SER 3 -1.338 -16.719 10.187 10 HA SER 3 HA SER 3 -1.606 -14.297 8.731 11 1HB SER 3 1HB SER 3 -1.428 -14.255 11.685 12 2HB SER 3 2HB SER 3 -0.189 -13.290 10.908 13 HG SER 3 HG SER 3 -1.737 -11.810 10.782 14 H GLY 4 H GLY 4 -0.201 -15.762 7.415 15 1HA GLY 4 1HA GLY 4 2.599 -15.624 8.344 16 2HA GLY 4 2HA GLY 4 1.936 -17.100 7.672 17 H SER 5 H SER 5 1.500 -17.275 5.415 18 HA SER 5 HA SER 5 3.017 -15.424 3.869 19 1HB SER 5 1HB SER 5 3.262 -17.688 3.204 20 2HB SER 5 2HB SER 5 1.541 -18.006 3.299 21 HG SER 5 HG SER 5 3.054 -16.910 1.200 22 H SER 6 H SER 6 -0.163 -15.538 5.056 23 HA SER 6 HA SER 6 -1.220 -14.179 2.718 24 1HB SER 6 1HB SER 6 -2.347 -15.909 4.811 25 2HB SER 6 2HB SER 6 -3.289 -14.445 4.605 26 HG SER 6 HG SER 6 -3.759 -14.973 2.502 27 H GLY 7 H GLY 7 -1.213 -11.963 2.738 28 1HA GLY 7 1HA GLY 7 -2.040 -9.987 3.835 29 2HA GLY 7 2HA GLY 7 -1.456 -10.621 5.361 30 H GLN 8 H GLN 8 0.040 -10.347 2.054 31 HA GLN 8 HA GLN 8 2.565 -9.882 2.965 32 1HB GLN 8 1HB GLN 8 1.177 -9.860 0.453 33 2HB GLN 8 2HB GLN 8 2.156 -8.408 0.513 34 1HG GLN 8 1HG GLN 8 3.276 -11.153 1.224 35 2HG GLN 8 2HG GLN 8 3.294 -10.532 -0.415 36 1HE2 GLN 8 1HE2 GLN 8 5.567 -11.200 1.078 37 2HE2 GLN 8 2HE2 GLN 8 6.520 -9.780 1.352 38 H LYS 9 H LYS 9 3.892 -7.800 2.728 39 HA LYS 9 HA LYS 9 2.255 -5.522 3.606 40 1HB LYS 9 1HB LYS 9 5.012 -6.367 4.543 41 2HB LYS 9 2HB LYS 9 4.251 -4.843 4.952 42 1HG LYS 9 1HG LYS 9 2.250 -6.704 5.551 43 2HG LYS 9 2HG LYS 9 3.712 -7.557 6.006 44 1HD LYS 9 1HD LYS 9 3.906 -4.805 6.918 45 2HD LYS 9 2HD LYS 9 2.373 -5.471 7.446 46 1HE LYS 9 1HE LYS 9 4.623 -7.365 7.794 47 2HE LYS 9 2HE LYS 9 4.845 -5.877 8.692 48 1HZ LYS 9 1HZ LYS 9 3.247 -6.457 10.081 49 2HZ LYS 9 2HZ LYS 9 2.196 -6.854 8.896 50 3HZ LYS 9 3HZ LYS 9 3.283 -7.952 9.425 51 H VAL 10 H VAL 10 2.755 -3.472 2.747 52 HA VAL 10 HA VAL 10 4.800 -3.495 0.644 53 HB VAL 10 HB VAL 10 3.248 -2.074 -0.694 54 1HG1 VAL 10 1HG1 VAL 10 1.653 -4.092 -1.220 55 2HG1 VAL 10 2HG1 VAL 10 3.401 -4.230 -1.527 56 3HG1 VAL 10 3HG1 VAL 10 2.692 -4.962 -0.067 57 1HG2 VAL 10 1HG2 VAL 10 0.952 -3.123 0.930 58 2HG2 VAL 10 2HG2 VAL 10 1.796 -1.651 1.466 59 3HG2 VAL 10 3HG2 VAL 10 1.037 -1.705 -0.144 60 H LYS 11 H LYS 11 5.707 -1.351 0.176 61 HA LYS 11 HA LYS 11 5.277 0.512 2.406 62 1HB LYS 11 1HB LYS 11 7.354 -0.328 2.950 63 2HB LYS 11 2HB LYS 11 7.808 -0.624 1.284 64 1HG LYS 11 1HG LYS 11 7.958 1.857 0.901 65 2HG LYS 11 2HG LYS 11 7.549 2.130 2.583 66 1HD LYS 11 1HD LYS 11 9.772 0.214 2.285 67 2HD LYS 11 2HD LYS 11 10.134 1.759 1.542 68 1HE LYS 11 1HE LYS 11 10.132 2.897 3.560 69 2HE LYS 11 2HE LYS 11 8.855 1.911 4.243 70 1HZ LYS 11 1HZ LYS 11 11.225 1.630 5.090 71 2HZ LYS 11 2HZ LYS 11 10.340 0.284 4.825 72 3HZ LYS 11 3HZ LYS 11 11.479 0.739 3.746 73 H THR 12 H THR 12 4.910 2.630 1.858 74 HA THR 12 HA THR 12 4.386 3.171 -0.899 75 HB THR 12 HB THR 12 3.620 5.340 0.032 76 HG1 THR 12 1HG THR 12 4.112 5.609 2.382 77 1HG2 THR 12 1HG2 THR 12 1.848 3.964 0.642 78 2HG2 THR 12 2HG2 THR 12 2.916 2.772 1.419 79 3HG2 THR 12 3HG2 THR 12 2.479 4.268 2.278 80 H ILE 13 H ILE 13 5.488 4.399 -2.378 81 HA ILE 13 HA ILE 13 8.232 5.037 -1.573 82 HB ILE 13 HB ILE 13 8.426 5.151 -4.181 83 1HG1 ILE 13 1HG1 ILE 13 6.050 3.291 -3.875 84 2HG1 ILE 13 2HG1 ILE 13 5.964 4.913 -4.534 85 1HG2 ILE 13 1HG2 ILE 13 8.195 2.528 -2.680 86 2HG2 ILE 13 2HG2 ILE 13 9.068 2.796 -4.207 87 3HG2 ILE 13 3HG2 ILE 13 9.619 3.594 -2.715 88 1HD1 ILE 13 1HD1 ILE 13 7.265 2.454 -5.701 89 2HD1 ILE 13 2HD1 ILE 13 6.227 3.666 -6.490 90 3HD1 ILE 13 3HD1 ILE 13 7.925 4.052 -6.122 91 H PHE 14 H PHE 14 5.211 6.453 -1.882 92 HA PHE 14 HA PHE 14 6.419 9.059 -2.025 93 1HB PHE 14 1HB PHE 14 4.410 7.915 -4.050 94 2HB PHE 14 2HB PHE 14 4.636 9.642 -3.856 95 HD1 PHE 14 1HD PHE 14 7.284 10.308 -3.894 96 HD2 PHE 14 2HD PHE 14 5.521 6.961 -5.818 97 HE1 PHE 14 1HE PHE 14 9.189 10.242 -5.526 98 HE2 PHE 14 2HE PHE 14 7.427 6.895 -7.450 99 HZ PHE 14 HZ PHE 14 9.238 8.537 -7.285 100 HA PRO 15 HA PRO 15 3.056 9.896 0.571 101 1HB PRO 15 1HB PRO 15 2.860 12.616 0.388 102 2HB PRO 15 2HB PRO 15 4.053 11.805 1.384 103 1HG PRO 15 1HG PRO 15 4.425 13.171 -1.211 104 2HG PRO 15 2HG PRO 15 5.631 12.739 -0.015 105 1HD PRO 15 1HD PRO 15 5.108 11.388 -2.491 106 2HD PRO 15 2HD PRO 15 6.232 10.890 -1.242 107 H HIS 16 H HIS 16 0.836 10.025 0.727 108 HA HIS 16 HA HIS 16 -0.567 11.271 -1.408 109 1HB HIS 16 1HB HIS 16 0.156 9.125 -2.461 110 2HB HIS 16 2HB HIS 16 -0.724 8.250 -1.224 111 HD1 HIS 16 1HD HIS 16 -3.227 7.930 -1.556 112 HD2 HIS 16 2HD HIS 16 -1.551 10.670 -4.255 113 HE1 HIS 16 1HE HIS 16 -5.044 8.447 -3.271 114 H THR 17 H THR 17 -1.682 12.442 0.154 115 HA THR 17 HA THR 17 -2.897 11.002 2.362 116 HB THR 17 HB THR 17 -2.883 13.958 1.551 117 HG1 THR 17 1HG THR 17 -0.783 13.368 2.156 118 1HG2 THR 17 1HG2 THR 17 -4.700 13.465 3.175 119 2HG2 THR 17 2HG2 THR 17 -3.559 12.543 4.184 120 3HG2 THR 17 3HG2 THR 17 -3.361 14.302 3.997 121 H ALA 18 H ALA 18 -5.212 11.264 2.885 122 HA ALA 18 HA ALA 18 -6.743 10.871 0.446 123 1HB ALA 18 1HB ALA 18 -8.503 10.280 2.324 124 2HB ALA 18 2HB ALA 18 -7.181 9.149 1.950 125 3HB ALA 18 3HB ALA 18 -7.063 10.216 3.369 126 H GLY 19 H GLY 19 -7.135 12.662 3.592 127 1HA GLY 19 1HA GLY 19 -7.951 14.721 4.008 128 2HA GLY 19 2HA GLY 19 -7.783 15.108 2.307 129 H ASN 20 H ASN 20 -9.631 15.421 1.134 130 HA ASN 20 HA ASN 20 -12.098 15.121 2.425 131 1HB ASN 20 1HB ASN 20 -11.130 16.565 0.243 132 2HB ASN 20 2HB ASN 20 -12.131 15.363 -0.548 133 1HD2 ASN 20 1HD2 ASN 20 -13.695 16.770 -1.188 134 2HD2 ASN 20 2HD2 ASN 20 -14.810 17.549 -0.116 135 H ASN 21 H ASN 21 -10.337 13.403 -0.235 136 HA ASN 21 HA ASN 21 -12.137 11.792 -1.264 137 1HB ASN 21 1HB ASN 21 -9.266 11.632 -0.726 138 2HB ASN 21 2HB ASN 21 -9.969 10.031 -0.613 139 1HD2 ASN 21 1HD2 ASN 21 -9.180 12.705 -2.643 140 2HD2 ASN 21 2HD2 ASN 21 -9.580 12.005 -4.176 141 H LYS 22 H LYS 22 -10.344 11.174 1.849 142 HA LYS 22 HA LYS 22 -10.928 10.085 3.686 143 1HB LYS 22 1HB LYS 22 -13.500 10.694 2.501 144 2HB LYS 22 2HB LYS 22 -13.559 9.142 3.312 145 1HG LYS 22 1HG LYS 22 -12.356 11.617 4.625 146 2HG LYS 22 2HG LYS 22 -14.058 11.222 4.759 147 1HD LYS 22 1HD LYS 22 -12.642 8.812 5.358 148 2HD LYS 22 2HD LYS 22 -11.799 10.090 6.210 149 1HE LYS 22 1HE LYS 22 -14.663 10.503 6.492 150 2HE LYS 22 2HE LYS 22 -14.283 8.847 6.922 151 1HZ LYS 22 1HZ LYS 22 -12.401 10.679 7.979 152 2HZ LYS 22 2HZ LYS 22 -13.916 11.013 8.488 153 3HZ LYS 22 3HZ LYS 22 -13.275 9.533 8.747 154 H THR 23 H THR 23 -12.557 8.452 0.872 155 HA THR 23 HA THR 23 -12.239 5.866 1.700 156 HB THR 23 HB THR 23 -12.506 5.343 -0.696 157 HG1 THR 23 1HG THR 23 -11.773 8.180 -0.912 158 1HG2 THR 23 1HG2 THR 23 -14.187 7.188 0.664 159 2HG2 THR 23 2HG2 THR 23 -13.885 7.921 -0.930 160 3HG2 THR 23 3HG2 THR 23 -14.586 6.288 -0.820 161 H LEU 24 H LEU 24 -9.865 7.820 -0.217 162 HA LEU 24 HA LEU 24 -7.960 5.815 -0.402 163 1HB LEU 24 1HB LEU 24 -7.487 8.793 -0.247 164 2HB LEU 24 2HB LEU 24 -6.412 7.592 -0.935 165 HG LEU 24 HG LEU 24 -9.193 7.997 -2.031 166 1HD1 LEU 24 1HD1 LEU 24 -8.428 9.641 -3.571 167 2HD1 LEU 24 2HD1 LEU 24 -7.958 10.188 -1.943 168 3HD1 LEU 24 3HD1 LEU 24 -6.742 9.467 -3.025 169 1HD2 LEU 24 1HD2 LEU 24 -7.901 5.965 -2.658 170 2HD2 LEU 24 2HD2 LEU 24 -8.298 7.019 -4.037 171 3HD2 LEU 24 3HD2 LEU 24 -6.652 7.021 -3.360 172 H LEU 25 H LEU 25 -5.864 5.618 0.749 173 HA LEU 25 HA LEU 25 -6.327 5.974 3.606 174 1HB LEU 25 1HB LEU 25 -5.666 3.770 2.331 175 2HB LEU 25 2HB LEU 25 -4.046 4.431 2.440 176 HG LEU 25 HG LEU 25 -4.235 4.535 4.892 177 1HD1 LEU 25 1HD1 LEU 25 -6.500 2.845 5.323 178 2HD1 LEU 25 2HD1 LEU 25 -6.188 4.487 5.937 179 3HD1 LEU 25 3HD1 LEU 25 -7.014 4.262 4.376 180 1HD2 LEU 25 1HD2 LEU 25 -3.713 2.355 3.363 181 2HD2 LEU 25 2HD2 LEU 25 -3.543 2.409 5.134 182 3HD2 LEU 25 3HD2 LEU 25 -5.016 1.729 4.402 183 H SER 26 H SER 26 -5.353 7.572 4.728 184 HA SER 26 HA SER 26 -3.457 9.183 3.309 185 1HB SER 26 1HB SER 26 -3.712 10.752 5.159 186 2HB SER 26 2HB SER 26 -5.298 10.193 4.665 187 HG SER 26 HG SER 26 -3.765 9.282 6.947 188 H PHE 27 H PHE 27 -1.263 8.895 3.458 189 HA PHE 27 HA PHE 27 -0.109 8.119 5.970 190 1HB PHE 27 1HB PHE 27 1.025 6.122 4.889 191 2HB PHE 27 2HB PHE 27 -0.716 5.925 4.955 192 HD1 PHE 27 1HD PHE 27 -1.863 5.342 3.028 193 HD2 PHE 27 2HD PHE 27 1.963 7.141 2.664 194 HE1 PHE 27 1HE PHE 27 -1.914 4.949 0.549 195 HE2 PHE 27 2HE PHE 27 1.912 6.748 0.185 196 HZ PHE 27 HZ PHE 27 -0.026 5.657 -0.842 197 H ALA 28 H ALA 28 2.404 7.922 5.670 198 HA ALA 28 HA ALA 28 3.185 9.936 3.673 199 1HB ALA 28 1HB ALA 28 4.648 10.870 5.239 200 2HB ALA 28 2HB ALA 28 3.260 10.413 6.256 201 3HB ALA 28 3HB ALA 28 4.712 9.385 6.218 202 H GLN 29 H GLN 29 5.209 9.613 2.574 203 HA GLN 29 HA GLN 29 5.649 7.103 1.698 204 1HB GLN 29 1HB GLN 29 6.529 9.128 0.601 205 2HB GLN 29 2HB GLN 29 7.650 9.395 1.921 206 1HG GLN 29 1HG GLN 29 8.536 6.983 1.383 207 2HG GLN 29 2HG GLN 29 7.672 7.154 -0.133 208 1HE2 GLN 29 1HE2 GLN 29 10.404 6.824 -0.002 209 2HE2 GLN 29 2HE2 GLN 29 11.215 8.253 -0.552 210 H GLY 30 H GLY 30 6.692 5.272 2.420 211 1HA GLY 30 1HA GLY 30 8.555 4.289 3.551 212 2HA GLY 30 2HA GLY 30 8.481 5.563 4.751 213 H ASP 31 H ASP 31 5.465 5.523 4.863 214 HA ASP 31 HA ASP 31 5.163 3.887 6.999 215 1HB ASP 31 1HB ASP 31 3.183 4.952 4.952 216 2HB ASP 31 2HB ASP 31 2.631 3.985 6.305 217 H VAL 32 H VAL 32 3.953 1.797 7.239 218 HA VAL 32 HA VAL 32 4.113 0.175 4.793 219 HB VAL 32 HB VAL 32 4.618 -0.504 7.691 220 1HG1 VAL 32 1HG1 VAL 32 3.745 -2.525 7.236 221 2HG1 VAL 32 2HG1 VAL 32 3.721 -2.224 5.481 222 3HG1 VAL 32 3HG1 VAL 32 5.216 -2.786 6.268 223 1HG2 VAL 32 1HG2 VAL 32 6.305 -0.225 5.229 224 2HG2 VAL 32 2HG2 VAL 32 6.628 0.293 6.901 225 3HG2 VAL 32 3HG2 VAL 32 6.771 -1.425 6.458 226 H LEU 33 H LEU 33 2.295 -0.937 4.149 227 HA LEU 33 HA LEU 33 -0.005 -0.752 5.969 228 1HB LEU 33 1HB LEU 33 -0.331 -0.743 2.997 229 2HB LEU 33 2HB LEU 33 -1.422 -0.171 4.243 230 HG LEU 33 HG LEU 33 1.121 1.306 4.141 231 1HD1 LEU 33 1HD1 LEU 33 0.346 0.604 1.669 232 2HD1 LEU 33 2HD1 LEU 33 -0.678 2.042 1.896 233 3HD1 LEU 33 3HD1 LEU 33 1.090 2.175 2.052 234 1HD2 LEU 33 1HD2 LEU 33 -1.802 2.101 4.136 235 2HD2 LEU 33 2HD2 LEU 33 -0.695 2.059 5.530 236 3HD2 LEU 33 3HD2 LEU 33 -0.437 3.240 4.222 237 H THR 34 H THR 34 -1.367 -2.578 6.095 238 HA THR 34 HA THR 34 -0.083 -5.017 5.121 239 HB THR 34 HB THR 34 -2.264 -4.453 7.199 240 HG1 THR 34 1HG THR 34 -0.456 -4.428 8.504 241 1HG2 THR 34 1HG2 THR 34 -0.864 -6.973 7.506 242 2HG2 THR 34 2HG2 THR 34 -2.613 -6.706 7.317 243 3HG2 THR 34 3HG2 THR 34 -1.585 -6.921 5.879 244 H LEU 35 H LEU 35 -0.780 -6.110 3.399 245 HA LEU 35 HA LEU 35 -3.091 -5.152 2.022 246 1HB LEU 35 1HB LEU 35 -1.119 -7.377 1.522 247 2HB LEU 35 2HB LEU 35 -2.495 -7.080 0.479 248 HG LEU 35 HG LEU 35 -1.139 -4.594 0.821 249 1HD1 LEU 35 1HD1 LEU 35 0.997 -5.136 1.117 250 2HD1 LEU 35 2HD1 LEU 35 0.664 -6.871 0.896 251 3HD1 LEU 35 3HD1 LEU 35 0.965 -5.835 -0.520 252 1HD2 LEU 35 1HD2 LEU 35 -2.324 -4.845 -1.139 253 2HD2 LEU 35 2HD2 LEU 35 -0.651 -5.091 -1.698 254 3HD2 LEU 35 3HD2 LEU 35 -1.715 -6.492 -1.429 255 H LEU 36 H LEU 36 -5.083 -6.206 1.690 256 HA LEU 36 HA LEU 36 -5.565 -8.392 3.594 257 1HB LEU 36 1HB LEU 36 -7.549 -6.350 2.590 258 2HB LEU 36 2HB LEU 36 -7.829 -7.590 3.796 259 HG LEU 36 HG LEU 36 -5.859 -5.312 4.128 260 1HD1 LEU 36 1HD1 LEU 36 -8.766 -5.399 4.448 261 2HD1 LEU 36 2HD1 LEU 36 -7.910 -4.875 5.918 262 3HD1 LEU 36 3HD1 LEU 36 -7.654 -4.011 4.384 263 1HD2 LEU 36 1HD2 LEU 36 -6.131 -7.739 5.529 264 2HD2 LEU 36 2HD2 LEU 36 -5.162 -6.315 5.979 265 3HD2 LEU 36 3HD2 LEU 36 -6.831 -6.481 6.575 266 H ILE 37 H ILE 37 -6.007 -7.100 0.292 267 HA ILE 37 HA ILE 37 -7.336 -9.584 -0.468 268 HB ILE 37 HB ILE 37 -7.780 -8.424 -2.580 269 1HG1 ILE 37 1HG1 ILE 37 -6.541 -5.969 -1.310 270 2HG1 ILE 37 2HG1 ILE 37 -5.716 -6.976 -2.484 271 1HG2 ILE 37 1HG2 ILE 37 -9.655 -7.995 -1.456 272 2HG2 ILE 37 2HG2 ILE 37 -8.772 -7.650 0.051 273 3HG2 ILE 37 3HG2 ILE 37 -8.989 -6.370 -1.167 274 1HD1 ILE 37 1HD1 ILE 37 -8.177 -5.254 -2.868 275 2HD1 ILE 37 2HD1 ILE 37 -6.684 -5.305 -3.834 276 3HD1 ILE 37 3HD1 ILE 37 -7.869 -6.627 -3.958 277 HA PRO 38 HA PRO 38 -3.620 -11.101 -2.083 278 1HB PRO 38 1HB PRO 38 -4.587 -13.207 -3.532 279 2HB PRO 38 2HB PRO 38 -4.315 -13.279 -1.803 280 1HG PRO 38 1HG PRO 38 -6.872 -13.049 -3.269 281 2HG PRO 38 2HG PRO 38 -6.598 -13.543 -1.610 282 1HD PRO 38 1HD PRO 38 -7.573 -10.998 -2.504 283 2HD PRO 38 2HD PRO 38 -7.189 -11.453 -0.856 284 H GLU 39 H GLU 39 -6.080 -9.771 -3.959 285 HA GLU 39 HA GLU 39 -4.232 -9.740 -6.216 286 1HB GLU 39 1HB GLU 39 -6.247 -9.367 -7.646 287 2HB GLU 39 2HB GLU 39 -6.305 -10.894 -6.789 288 1HG GLU 39 1HG GLU 39 -7.578 -8.421 -5.572 289 2HG GLU 39 2HG GLU 39 -8.433 -9.332 -6.800 290 H GLU 40 H GLU 40 -5.055 -7.652 -7.723 291 HA GLU 40 HA GLU 40 -5.148 -5.418 -5.851 292 1HB GLU 40 1HB GLU 40 -3.641 -4.181 -7.471 293 2HB GLU 40 2HB GLU 40 -2.871 -5.514 -6.633 294 1HG GLU 40 1HG GLU 40 -4.156 -5.912 -9.362 295 2HG GLU 40 2HG GLU 40 -2.517 -5.309 -9.215 296 H LYS 41 H LYS 41 -6.393 -3.592 -6.511 297 HA LYS 41 HA LYS 41 -8.509 -4.202 -8.270 298 1HB LYS 41 1HB LYS 41 -7.743 -2.058 -6.428 299 2HB LYS 41 2HB LYS 41 -8.562 -1.456 -7.855 300 1HG LYS 41 1HG LYS 41 -9.759 -3.906 -6.620 301 2HG LYS 41 2HG LYS 41 -9.865 -2.447 -5.656 302 1HD LYS 41 1HD LYS 41 -10.990 -1.246 -7.473 303 2HD LYS 41 2HD LYS 41 -10.722 -2.575 -8.583 304 1HE LYS 41 1HE LYS 41 -12.061 -4.010 -6.814 305 2HE LYS 41 2HE LYS 41 -12.605 -2.460 -6.204 306 1HZ LYS 41 1HZ LYS 41 -13.355 -1.942 -8.454 307 2HZ LYS 41 2HZ LYS 41 -12.922 -3.434 -8.957 308 3HZ LYS 41 3HZ LYS 41 -14.106 -3.259 -7.847 309 H ASP 42 H ASP 42 -8.911 -1.819 -9.738 310 HA ASP 42 HA ASP 42 -7.316 -2.425 -11.962 311 1HB ASP 42 1HB ASP 42 -9.312 -0.228 -11.304 312 2HB ASP 42 2HB ASP 42 -8.447 -0.218 -12.828 313 H GLY 43 H GLY 43 -5.174 -2.015 -10.717 314 1HA GLY 43 1HA GLY 43 -3.287 -0.714 -10.861 315 2HA GLY 43 2HA GLY 43 -4.255 0.681 -11.298 316 H TRP 44 H TRP 44 -5.814 -0.800 -8.692 317 HA TRP 44 HA TRP 44 -4.351 0.893 -6.780 318 1HB TRP 44 1HB TRP 44 -7.319 0.320 -6.855 319 2HB TRP 44 2HB TRP 44 -6.480 1.266 -5.641 320 HD1 TRP 44 HD TRP 44 -7.456 1.472 -9.389 321 HE1 TRP 44 1HE TRP 44 -7.482 3.977 -10.219 322 HE3 TRP 44 3HE TRP 44 -5.562 3.462 -5.110 323 HZ2 TRP 44 2HZ TRP 44 -6.725 6.453 -9.020 324 HZ3 TRP 44 3HZ TRP 44 -5.236 5.932 -5.022 325 HH2 TRP 44 HH TRP 44 -5.785 7.414 -6.886 326 H LEU 45 H LEU 45 -4.514 0.047 -4.487 327 HA LEU 45 HA LEU 45 -5.062 -2.817 -4.377 328 1HB LEU 45 1HB LEU 45 -2.434 -1.578 -4.319 329 2HB LEU 45 2HB LEU 45 -2.756 -2.480 -2.851 330 HG LEU 45 HG LEU 45 -2.999 -3.606 -5.655 331 1HD1 LEU 45 1HD1 LEU 45 -0.656 -2.927 -4.543 332 2HD1 LEU 45 2HD1 LEU 45 -0.864 -4.536 -3.811 333 3HD1 LEU 45 3HD1 LEU 45 -0.865 -4.357 -5.582 334 1HD2 LEU 45 1HD2 LEU 45 -4.395 -4.565 -3.674 335 2HD2 LEU 45 2HD2 LEU 45 -3.498 -5.669 -4.744 336 3HD2 LEU 45 3HD2 LEU 45 -2.838 -5.247 -3.146 337 H TYR 46 H TYR 46 -5.553 -3.582 -2.228 338 HA TYR 46 HA TYR 46 -6.357 -1.370 -0.473 339 1HB TYR 46 1HB TYR 46 -7.885 -3.283 -1.592 340 2HB TYR 46 2HB TYR 46 -7.188 -4.315 -0.360 341 HD1 TYR 46 1HD TYR 46 -8.693 -0.869 -0.496 342 HD2 TYR 46 2HD TYR 46 -8.522 -4.650 1.498 343 HE1 TYR 46 1HE TYR 46 -10.447 -0.080 1.167 344 HE2 TYR 46 2HE TYR 46 -10.277 -3.849 3.153 345 HH TYR 46 HH TYR 46 -12.201 -2.048 3.004 346 H GLY 47 H GLY 47 -6.296 -1.864 1.920 347 1HA GLY 47 1HA GLY 47 -4.867 -3.920 3.074 348 2HA GLY 47 2HA GLY 47 -3.674 -2.711 2.644 349 H GLU 48 H GLU 48 -3.604 -2.903 5.202 350 HA GLU 48 HA GLU 48 -5.456 -0.884 6.208 351 1HB GLU 48 1HB GLU 48 -5.882 -3.107 7.215 352 2HB GLU 48 2HB GLU 48 -4.206 -3.225 7.713 353 1HG GLU 48 1HG GLU 48 -4.488 -1.179 9.133 354 2HG GLU 48 2HG GLU 48 -6.166 -1.071 8.641 355 H HIS 49 H HIS 49 -4.582 0.752 7.607 356 HA HIS 49 HA HIS 49 -1.813 1.256 7.091 357 1HB HIS 49 1HB HIS 49 -3.675 2.971 7.054 358 2HB HIS 49 2HB HIS 49 -3.734 2.852 8.802 359 HD1 HIS 49 1HD HIS 49 -0.840 2.940 9.652 360 HD2 HIS 49 2HD HIS 49 -2.339 5.281 6.510 361 HE1 HIS 49 1HE HIS 49 0.762 4.911 9.401 362 H ASP 50 H ASP 50 -0.132 1.457 8.668 363 HA ASP 50 HA ASP 50 -0.566 -0.320 10.878 364 1HB ASP 50 1HB ASP 50 1.540 -0.023 9.226 365 2HB ASP 50 2HB ASP 50 2.022 1.166 10.419 366 H THR 51 H THR 51 -2.067 2.063 11.156 367 HA THR 51 HA THR 51 -1.024 3.096 13.599 368 HB THR 51 HB THR 51 -0.774 4.657 11.018 369 HG1 THR 51 1HG THR 51 1.047 3.705 12.221 370 1HG2 THR 51 1HG2 THR 51 -1.931 6.406 12.020 371 2HG2 THR 51 2HG2 THR 51 -1.776 5.703 13.647 372 3HG2 THR 51 3HG2 THR 51 -0.410 6.588 12.926 373 H THR 52 H THR 52 -3.128 4.619 11.090 374 HA THR 52 HA THR 52 -5.156 5.231 12.873 375 HB THR 52 HB THR 52 -6.424 5.705 10.823 376 HG1 THR 52 1HG THR 52 -5.756 4.617 8.891 377 1HG2 THR 52 1HG2 THR 52 -3.831 6.696 11.217 378 2HG2 THR 52 2HG2 THR 52 -3.770 6.060 9.556 379 3HG2 THR 52 3HG2 THR 52 -4.981 7.289 9.994 380 H LYS 53 H LYS 53 -4.340 2.165 11.344 381 HA LYS 53 HA LYS 53 -5.118 0.131 11.774 382 1HB LYS 53 1HB LYS 53 -6.140 1.626 13.997 383 2HB LYS 53 2HB LYS 53 -7.382 0.510 13.468 384 1HG LYS 53 1HG LYS 53 -6.007 -0.680 15.059 385 2HG LYS 53 2HG LYS 53 -5.639 -1.342 13.479 386 1HD LYS 53 1HD LYS 53 -3.453 -0.886 13.876 387 2HD LYS 53 2HD LYS 53 -3.842 0.817 13.743 388 1HE LYS 53 1HE LYS 53 -4.463 0.787 16.223 389 2HE LYS 53 2HE LYS 53 -3.854 -0.854 16.299 390 1HZ LYS 53 1HZ LYS 53 -2.185 0.752 16.911 391 2HZ LYS 53 2HZ LYS 53 -1.723 -0.045 15.563 392 3HZ LYS 53 3HZ LYS 53 -2.286 1.484 15.454 393 H ALA 54 H ALA 54 -6.570 2.608 10.171 394 HA ALA 54 HA ALA 54 -8.948 1.081 9.434 395 1HB ALA 54 1HB ALA 54 -8.044 3.928 8.842 396 2HB ALA 54 2HB ALA 54 -9.567 3.205 8.268 397 3HB ALA 54 3HB ALA 54 -9.287 3.425 10.012 398 H ARG 55 H ARG 55 -9.456 0.932 7.047 399 HA ARG 55 HA ARG 55 -6.954 0.537 5.612 400 1HB ARG 55 1HB ARG 55 -9.616 -0.945 5.329 401 2HB ARG 55 2HB ARG 55 -8.231 -1.211 4.289 402 1HG ARG 55 1HG ARG 55 -7.262 -2.582 5.815 403 2HG ARG 55 2HG ARG 55 -7.378 -1.360 7.065 404 1HD ARG 55 1HD ARG 55 -9.954 -2.080 7.104 405 2HD ARG 55 2HD ARG 55 -9.348 -3.550 6.368 406 HE ARG 55 HE ARG 55 -7.690 -2.929 8.614 407 1HH1 ARG 55 2HH2 ARG 55 -10.969 -3.990 7.904 408 2HH1 ARG 55 1HH2 ARG 55 -11.157 -4.834 9.405 409 1HH2 ARG 55 2HH1 ARG 55 -7.938 -4.043 10.594 410 2HH2 ARG 55 1HH1 ARG 55 -9.422 -4.865 10.945 411 H GLY 56 H GLY 56 -6.780 1.421 3.506 412 1HA GLY 56 1HA GLY 56 -9.176 2.794 2.458 413 2HA GLY 56 2HA GLY 56 -7.636 3.619 2.593 414 H TRP 57 H TRP 57 -8.185 3.804 0.136 415 HA TRP 57 HA TRP 57 -7.193 1.399 -1.234 416 1HB TRP 57 1HB TRP 57 -9.071 3.583 -2.124 417 2HB TRP 57 2HB TRP 57 -8.273 2.510 -3.257 418 HD1 TRP 57 HD TRP 57 -11.217 2.616 -0.884 419 HE1 TRP 57 1HE TRP 57 -12.610 0.374 -0.915 420 HE3 TRP 57 3HE TRP 57 -7.823 -0.072 -3.551 421 HZ2 TRP 57 2HZ TRP 57 -12.145 -2.213 -2.026 422 HZ3 TRP 57 3HZ TRP 57 -8.369 -2.449 -4.066 423 HH2 TRP 57 HH TRP 57 -10.445 -3.523 -3.350 424 H PHE 58 H PHE 58 -5.298 1.591 -2.426 425 HA PHE 58 HA PHE 58 -4.292 4.276 -2.923 426 1HB PHE 58 1HB PHE 58 -2.075 3.532 -1.958 427 2HB PHE 58 2HB PHE 58 -3.335 3.520 -0.740 428 HD1 PHE 58 1HD PHE 58 -4.013 1.491 0.312 429 HD2 PHE 58 2HD PHE 58 -1.299 1.382 -2.948 430 HE1 PHE 58 1HE PHE 58 -3.503 -0.914 0.818 431 HE2 PHE 58 2HE PHE 58 -0.789 -1.023 -2.442 432 HZ PHE 58 HZ PHE 58 -1.897 -2.142 -0.566 433 HA PRO 59 HA PRO 59 -2.981 2.381 -6.590 434 1HB PRO 59 1HB PRO 59 -1.060 4.126 -7.446 435 2HB PRO 59 2HB PRO 59 -2.776 4.411 -7.656 436 1HG PRO 59 1HG PRO 59 -0.912 5.661 -5.732 437 2HG PRO 59 2HG PRO 59 -2.493 6.215 -6.247 438 1HD PRO 59 1HD PRO 59 -1.847 4.935 -3.762 439 2HD PRO 59 2HD PRO 59 -3.445 5.385 -4.326 440 H SER 60 H SER 60 -1.985 0.497 -6.868 441 HA SER 60 HA SER 60 -0.047 -0.349 -5.195 442 1HB SER 60 1HB SER 60 0.326 -2.159 -6.742 443 2HB SER 60 2HB SER 60 -1.367 -1.722 -6.865 444 HG SER 60 HG SER 60 -0.907 -0.534 -8.798 445 H SER 61 H SER 61 0.211 1.894 -7.882 446 HA SER 61 HA SER 61 2.939 1.492 -8.398 447 1HB SER 61 1HB SER 61 0.839 2.984 -9.514 448 2HB SER 61 2HB SER 61 1.943 4.212 -8.929 449 HG SER 61 HG SER 61 3.097 2.026 -10.334 450 H TYR 62 H TYR 62 1.061 3.381 -6.042 451 HA TYR 62 HA TYR 62 3.350 4.958 -5.254 452 1HB TYR 62 1HB TYR 62 0.397 4.615 -4.667 453 2HB TYR 62 2HB TYR 62 1.354 5.282 -3.359 454 HD1 TYR 62 1HD TYR 62 1.217 5.794 -7.085 455 HD2 TYR 62 2HD TYR 62 1.192 7.582 -3.198 456 HE1 TYR 62 1HE TYR 62 1.059 8.102 -8.139 457 HE2 TYR 62 2HE TYR 62 1.035 9.884 -4.265 458 HH TYR 62 HH TYR 62 0.649 10.977 -6.131 459 H THR 63 H THR 63 2.914 1.791 -4.957 460 HA THR 63 HA THR 63 4.185 1.731 -2.340 461 HB THR 63 HB THR 63 2.572 -0.146 -1.676 462 HG1 THR 63 1HG THR 63 1.700 -0.603 -3.764 463 1HG2 THR 63 1HG2 THR 63 0.651 1.329 -1.137 464 2HG2 THR 63 2HG2 THR 63 2.175 2.196 -0.829 465 3HG2 THR 63 3HG2 THR 63 1.237 2.540 -2.303 466 H LYS 64 H LYS 64 5.399 -0.215 -1.942 467 HA LYS 64 HA LYS 64 5.768 -1.843 -4.349 468 1HB LYS 64 1HB LYS 64 8.265 -1.786 -3.760 469 2HB LYS 64 2HB LYS 64 7.578 -0.393 -4.571 470 1HG LYS 64 1HG LYS 64 7.322 0.767 -2.370 471 2HG LYS 64 2HG LYS 64 7.999 -0.627 -1.553 472 1HD LYS 64 1HD LYS 64 9.489 0.902 -3.734 473 2HD LYS 64 2HD LYS 64 9.640 1.284 -2.030 474 1HE LYS 64 1HE LYS 64 10.128 -1.537 -3.070 475 2HE LYS 64 2HE LYS 64 11.401 -0.332 -3.068 476 1HZ LYS 64 1HZ LYS 64 9.870 -1.127 -0.689 477 2HZ LYS 64 2HZ LYS 64 11.364 -1.671 -1.061 478 3HZ LYS 64 3HZ LYS 64 11.133 -0.092 -0.718 479 H LEU 65 H LEU 65 6.580 -4.008 -3.920 480 HA LEU 65 HA LEU 65 5.557 -4.988 -1.427 481 1HB LEU 65 1HB LEU 65 6.662 -6.208 -3.933 482 2HB LEU 65 2HB LEU 65 6.466 -7.183 -2.491 483 HG LEU 65 HG LEU 65 4.093 -5.593 -3.293 484 1HD1 LEU 65 1HD1 LEU 65 3.437 -7.004 -5.108 485 2HD1 LEU 65 2HD1 LEU 65 5.053 -6.355 -5.474 486 3HD1 LEU 65 3HD1 LEU 65 4.875 -8.032 -4.906 487 1HD2 LEU 65 1HD2 LEU 65 3.091 -7.038 -1.943 488 2HD2 LEU 65 2HD2 LEU 65 3.667 -8.416 -2.911 489 3HD2 LEU 65 3HD2 LEU 65 4.679 -7.764 -1.599 490 H LEU 66 H LEU 66 6.679 -5.485 0.399 491 HA LEU 66 HA LEU 66 9.363 -4.630 0.592 492 1HB LEU 66 1HB LEU 66 7.550 -6.157 2.459 493 2HB LEU 66 2HB LEU 66 9.173 -5.653 2.885 494 HG LEU 66 HG LEU 66 6.714 -3.989 2.463 495 1HD1 LEU 66 1HD1 LEU 66 8.142 -2.898 4.518 496 2HD1 LEU 66 2HD1 LEU 66 6.878 -4.139 4.693 497 3HD1 LEU 66 3HD1 LEU 66 8.593 -4.615 4.641 498 1HD2 LEU 66 1HD2 LEU 66 9.535 -3.144 1.893 499 2HD2 LEU 66 2HD2 LEU 66 8.025 -2.736 1.043 500 3HD2 LEU 66 3HD2 LEU 66 8.392 -1.987 2.616 501 H SER 67 H SER 67 10.962 -6.301 1.819 502 HA SER 67 HA SER 67 10.785 -8.866 0.500 503 1HB SER 67 1HB SER 67 12.901 -6.780 0.015 504 2HB SER 67 2HB SER 67 13.411 -8.456 0.074 505 HG SER 67 HG SER 67 11.119 -8.127 -1.470 506 H GLY 68 H GLY 68 10.441 -9.782 2.600 507 1HA GLY 68 1HA GLY 68 11.891 -9.163 4.898 508 2HA GLY 68 2HA GLY 68 11.042 -10.662 4.577 509 HA PRO 69 HA PRO 69 15.655 -11.261 4.417 510 1HB PRO 69 1HB PRO 69 16.221 -12.092 6.958 511 2HB PRO 69 2HB PRO 69 16.474 -10.447 6.409 512 1HG PRO 69 1HG PRO 69 14.340 -11.510 8.157 513 2HG PRO 69 2HG PRO 69 14.859 -9.850 7.942 514 1HD PRO 69 1HD PRO 69 12.508 -11.069 6.840 515 2HD PRO 69 2HD PRO 69 13.088 -9.444 6.533 516 H SER 70 H SER 70 16.295 -13.080 3.445 517 HA SER 70 HA SER 70 14.542 -15.252 3.591 518 1HB SER 70 1HB SER 70 15.914 -16.243 1.958 519 2HB SER 70 2HB SER 70 16.179 -14.531 1.693 520 HG SER 70 HG SER 70 17.916 -16.464 2.909 521 H SER 71 H SER 71 15.314 -17.561 4.169 522 HA SER 71 HA SER 71 17.024 -17.395 6.528 523 1HB SER 71 1HB SER 71 15.617 -19.373 7.379 524 2HB SER 71 2HB SER 71 14.843 -17.800 7.382 525 HG SER 71 HG SER 71 13.798 -18.364 5.359 526 H GLY 72 H GLY 72 15.575 -19.745 4.146 527 1HA GLY 72 1HA GLY 72 18.184 -20.723 3.420 528 2HA GLY 72 2HA GLY 72 17.271 -21.848 4.406 Start of MODEL 12 1 1H GLY 1 H GLY 1 -1.350 -16.787 13.635 2 1HA GLY 1 1HA GLY 1 -3.309 -18.672 13.949 3 2HA GLY 1 2HA GLY 1 -4.056 -17.436 12.957 4 H SER 2 H SER 2 -2.207 -20.263 12.892 5 HA SER 2 HA SER 2 -1.082 -21.329 11.372 6 1HB SER 2 1HB SER 2 -3.001 -19.687 9.831 7 2HB SER 2 2HB SER 2 -1.619 -20.196 8.882 8 HG SER 2 HG SER 2 -2.634 -22.258 10.465 9 H SER 3 H SER 3 0.655 -21.119 9.527 10 HA SER 3 HA SER 3 2.200 -18.736 10.157 11 1HB SER 3 1HB SER 3 4.148 -20.135 9.274 12 2HB SER 3 2HB SER 3 3.423 -20.697 10.766 13 HG SER 3 HG SER 3 3.673 -22.018 8.393 14 H GLY 4 H GLY 4 -0.016 -19.535 7.968 15 1HA GLY 4 1HA GLY 4 1.448 -18.263 5.744 16 2HA GLY 4 2HA GLY 4 0.498 -19.711 5.480 17 H SER 5 H SER 5 0.447 -16.253 5.809 18 HA SER 5 HA SER 5 -2.450 -16.360 5.528 19 1HB SER 5 1HB SER 5 -0.825 -14.904 7.528 20 2HB SER 5 2HB SER 5 -1.970 -13.876 6.690 21 HG SER 5 HG SER 5 -3.673 -15.386 7.277 22 H SER 6 H SER 6 -3.175 -15.300 3.702 23 HA SER 6 HA SER 6 -1.236 -14.120 2.023 24 1HB SER 6 1HB SER 6 -4.144 -14.797 1.880 25 2HB SER 6 2HB SER 6 -3.617 -13.498 0.829 26 HG SER 6 HG SER 6 -3.449 -16.009 0.233 27 H GLY 7 H GLY 7 -0.423 -12.277 3.204 28 1HA GLY 7 1HA GLY 7 -2.068 -9.911 2.912 29 2HA GLY 7 2HA GLY 7 -1.712 -10.354 4.569 30 H GLN 8 H GLN 8 0.182 -10.434 1.459 31 HA GLN 8 HA GLN 8 2.616 -10.049 2.493 32 1HB GLN 8 1HB GLN 8 1.320 -9.598 -0.099 33 2HB GLN 8 2HB GLN 8 2.639 -8.472 0.155 34 1HG GLN 8 1HG GLN 8 3.417 -10.582 -0.928 35 2HG GLN 8 2HG GLN 8 4.201 -10.316 0.617 36 1HE2 GLN 8 1HE2 GLN 8 4.435 -12.086 1.727 37 2HE2 GLN 8 2HE2 GLN 8 3.327 -13.412 1.850 38 H LYS 9 H LYS 9 4.051 -7.947 2.203 39 HA LYS 9 HA LYS 9 2.518 -5.700 3.314 40 1HB LYS 9 1HB LYS 9 5.317 -6.625 4.025 41 2HB LYS 9 2HB LYS 9 4.583 -5.138 4.590 42 1HG LYS 9 1HG LYS 9 2.632 -7.091 5.146 43 2HG LYS 9 2HG LYS 9 4.142 -7.903 5.508 44 1HD LYS 9 1HD LYS 9 4.474 -5.324 6.608 45 2HD LYS 9 2HD LYS 9 2.805 -5.726 6.964 46 1HE LYS 9 1HE LYS 9 4.728 -7.953 7.438 47 2HE LYS 9 2HE LYS 9 4.978 -6.556 8.464 48 1HZ LYS 9 1HZ LYS 9 2.766 -6.695 9.216 49 2HZ LYS 9 2HZ LYS 9 2.353 -7.815 8.102 50 3HZ LYS 9 3HZ LYS 9 3.375 -8.207 9.314 51 H VAL 10 H VAL 10 3.006 -3.612 2.548 52 HA VAL 10 HA VAL 10 4.926 -3.542 0.331 53 HB VAL 10 HB VAL 10 3.290 -1.966 -0.778 54 1HG1 VAL 10 1HG1 VAL 10 1.795 -3.921 -1.555 55 2HG1 VAL 10 2HG1 VAL 10 3.552 -4.062 -1.800 56 3HG1 VAL 10 3HG1 VAL 10 2.770 -4.923 -0.453 57 1HG2 VAL 10 1HG2 VAL 10 1.331 -1.451 0.160 58 2HG2 VAL 10 2HG2 VAL 10 0.931 -3.169 0.398 59 3HG2 VAL 10 3HG2 VAL 10 1.875 -2.296 1.629 60 H LYS 11 H LYS 11 5.837 -1.384 -0.068 61 HA LYS 11 HA LYS 11 5.605 0.323 2.313 62 1HB LYS 11 1HB LYS 11 7.724 -0.636 2.529 63 2HB LYS 11 2HB LYS 11 8.029 -0.623 0.803 64 1HG LYS 11 1HG LYS 11 8.197 1.846 0.812 65 2HG LYS 11 2HG LYS 11 7.769 1.898 2.510 66 1HD LYS 11 1HD LYS 11 10.050 0.093 1.951 67 2HD LYS 11 2HD LYS 11 10.366 1.754 1.491 68 1HE LYS 11 1HE LYS 11 10.335 2.515 3.671 69 2HE LYS 11 2HE LYS 11 9.043 1.431 4.147 70 1HZ LYS 11 1HZ LYS 11 10.522 -0.278 4.476 71 2HZ LYS 11 2HZ LYS 11 11.691 0.366 3.535 72 3HZ LYS 11 3HZ LYS 11 11.382 1.005 5.006 73 H THR 12 H THR 12 5.133 2.454 1.963 74 HA THR 12 HA THR 12 4.414 3.201 -0.709 75 HB THR 12 HB THR 12 3.549 5.196 0.429 76 HG1 THR 12 1HG THR 12 4.266 5.470 2.696 77 1HG2 THR 12 1HG2 THR 12 3.051 2.515 1.514 78 2HG2 THR 12 2HG2 THR 12 2.918 3.749 2.789 79 3HG2 THR 12 3HG2 THR 12 1.913 3.871 1.325 80 H ILE 13 H ILE 13 5.542 4.284 -2.209 81 HA ILE 13 HA ILE 13 8.220 5.133 -1.417 82 HB ILE 13 HB ILE 13 8.468 5.276 -3.967 83 1HG1 ILE 13 1HG1 ILE 13 6.040 3.468 -3.907 84 2HG1 ILE 13 2HG1 ILE 13 5.966 5.161 -4.350 85 1HG2 ILE 13 1HG2 ILE 13 8.037 2.578 -2.655 86 2HG2 ILE 13 2HG2 ILE 13 9.009 2.909 -4.108 87 3HG2 ILE 13 3HG2 ILE 13 9.508 3.571 -2.533 88 1HD1 ILE 13 1HD1 ILE 13 7.904 4.570 -6.032 89 2HD1 ILE 13 2HD1 ILE 13 7.368 2.892 -5.783 90 3HD1 ILE 13 3HD1 ILE 13 6.236 4.100 -6.436 91 H PHE 14 H PHE 14 5.137 6.398 -1.595 92 HA PHE 14 HA PHE 14 6.206 9.066 -1.741 93 1HB PHE 14 1HB PHE 14 4.149 7.863 -3.683 94 2HB PHE 14 2HB PHE 14 4.325 9.595 -3.478 95 HD1 PHE 14 1HD PHE 14 5.083 7.115 -5.641 96 HD2 PHE 14 2HD PHE 14 7.063 10.207 -3.514 97 HE1 PHE 14 1HE PHE 14 6.906 7.134 -7.367 98 HE2 PHE 14 2HE PHE 14 8.886 10.226 -5.239 99 HZ PHE 14 HZ PHE 14 8.786 8.690 -7.145 100 HA PRO 15 HA PRO 15 2.937 9.677 1.033 101 1HB PRO 15 1HB PRO 15 2.621 12.390 0.938 102 2HB PRO 15 2HB PRO 15 3.890 11.605 1.857 103 1HG PRO 15 1HG PRO 15 4.088 13.055 -0.711 104 2HG PRO 15 2HG PRO 15 5.363 12.642 0.417 105 1HD PRO 15 1HD PRO 15 4.785 11.338 -2.071 106 2HD PRO 15 2HD PRO 15 5.984 10.855 -0.888 107 H HIS 16 H HIS 16 0.706 9.848 1.333 108 HA HIS 16 HA HIS 16 -0.705 10.765 -1.037 109 1HB HIS 16 1HB HIS 16 -0.253 8.225 -1.085 110 2HB HIS 16 2HB HIS 16 -1.413 8.116 0.225 111 HD1 HIS 16 1HD HIS 16 -3.600 7.358 -0.693 112 HD2 HIS 16 2HD HIS 16 -1.671 10.052 -3.266 113 HE1 HIS 16 1HE HIS 16 -5.176 7.714 -2.668 114 H THR 17 H THR 17 -2.587 11.862 -0.545 115 HA THR 17 HA THR 17 -3.545 11.642 2.225 116 HB THR 17 HB THR 17 -2.874 14.166 0.628 117 HG1 THR 17 1HG THR 17 -1.082 13.371 1.791 118 1HG2 THR 17 1HG2 THR 17 -3.644 15.408 2.627 119 2HG2 THR 17 2HG2 THR 17 -4.999 14.463 1.965 120 3HG2 THR 17 3HG2 THR 17 -4.132 13.885 3.408 121 H ALA 18 H ALA 18 -5.748 11.721 2.517 122 HA ALA 18 HA ALA 18 -7.272 11.266 0.122 123 1HB ALA 18 1HB ALA 18 -8.142 9.876 1.691 124 2HB ALA 18 2HB ALA 18 -7.538 10.866 3.041 125 3HB ALA 18 3HB ALA 18 -9.054 11.310 2.220 126 H GLY 19 H GLY 19 -7.254 13.259 -1.013 127 1HA GLY 19 1HA GLY 19 -7.674 15.774 0.052 128 2HA GLY 19 2HA GLY 19 -8.068 15.275 -1.580 129 H ASN 20 H ASN 20 -10.202 15.218 -2.196 130 HA ASN 20 HA ASN 20 -12.110 16.020 -0.270 131 1HB ASN 20 1HB ASN 20 -11.868 16.093 -3.091 132 2HB ASN 20 2HB ASN 20 -13.211 15.002 -2.814 133 1HD2 ASN 20 1HD2 ASN 20 -14.970 15.707 -1.465 134 2HD2 ASN 20 2HD2 ASN 20 -15.406 17.381 -1.387 135 H ASN 21 H ASN 21 -11.474 13.085 -2.319 136 HA ASN 21 HA ASN 21 -13.634 11.608 -1.580 137 1HB ASN 21 1HB ASN 21 -10.841 11.000 -2.529 138 2HB ASN 21 2HB ASN 21 -11.736 9.653 -1.853 139 1HD2 ASN 21 1HD2 ASN 21 -11.016 9.520 -4.417 140 2HD2 ASN 21 2HD2 ASN 21 -12.362 9.705 -5.490 141 H LYS 22 H LYS 22 -13.742 9.718 -0.013 142 HA LYS 22 HA LYS 22 -11.951 10.110 2.281 143 1HB LYS 22 1HB LYS 22 -13.846 11.004 3.189 144 2HB LYS 22 2HB LYS 22 -14.924 10.102 2.144 145 1HG LYS 22 1HG LYS 22 -14.853 8.173 3.487 146 2HG LYS 22 2HG LYS 22 -13.277 8.560 4.150 147 1HD LYS 22 1HD LYS 22 -14.254 9.530 5.948 148 2HD LYS 22 2HD LYS 22 -15.046 10.695 4.905 149 1HE LYS 22 1HE LYS 22 -16.333 8.029 4.824 150 2HE LYS 22 2HE LYS 22 -16.330 8.732 6.430 151 1HZ LYS 22 1HZ LYS 22 -17.108 10.817 5.167 152 2HZ LYS 22 2HZ LYS 22 -17.549 9.764 4.000 153 3HZ LYS 22 3HZ LYS 22 -18.184 9.634 5.499 154 H THR 23 H THR 23 -10.592 8.426 1.400 155 HA THR 23 HA THR 23 -11.258 5.874 2.360 156 HB THR 23 HB THR 23 -12.707 5.440 0.554 157 HG1 THR 23 1HG THR 23 -10.067 5.076 -0.658 158 1HG2 THR 23 1HG2 THR 23 -10.875 7.318 -0.979 159 2HG2 THR 23 2HG2 THR 23 -11.851 6.121 -1.863 160 3HG2 THR 23 3HG2 THR 23 -12.650 7.351 -0.854 161 H LEU 24 H LEU 24 -9.340 7.873 0.078 162 HA LEU 24 HA LEU 24 -7.164 6.257 -0.220 163 1HB LEU 24 1HB LEU 24 -7.023 9.240 0.189 164 2HB LEU 24 2HB LEU 24 -5.934 8.228 -0.740 165 HG LEU 24 HG LEU 24 -7.139 9.127 -2.444 166 1HD1 LEU 24 1HD1 LEU 24 -9.044 6.891 -1.710 167 2HD1 LEU 24 2HD1 LEU 24 -8.724 7.559 -3.328 168 3HD1 LEU 24 3HD1 LEU 24 -7.453 6.654 -2.471 169 1HD2 LEU 24 1HD2 LEU 24 -8.974 10.379 -2.200 170 2HD2 LEU 24 2HD2 LEU 24 -9.882 9.067 -1.410 171 3HD2 LEU 24 3HD2 LEU 24 -8.777 10.086 -0.456 172 H LEU 25 H LEU 25 -6.134 5.102 1.325 173 HA LEU 25 HA LEU 25 -6.160 5.745 4.023 174 1HB LEU 25 1HB LEU 25 -5.729 3.524 2.947 175 2HB LEU 25 2HB LEU 25 -4.114 4.080 2.556 176 HG LEU 25 HG LEU 25 -3.844 4.504 5.091 177 1HD1 LEU 25 1HD1 LEU 25 -5.254 3.437 6.611 178 2HD1 LEU 25 2HD1 LEU 25 -6.373 4.175 5.441 179 3HD1 LEU 25 3HD1 LEU 25 -6.016 2.434 5.354 180 1HD2 LEU 25 1HD2 LEU 25 -3.869 1.856 3.685 181 2HD2 LEU 25 2HD2 LEU 25 -2.497 2.834 4.256 182 3HD2 LEU 25 3HD2 LEU 25 -3.492 1.930 5.423 183 H SER 26 H SER 26 -5.333 7.514 4.989 184 HA SER 26 HA SER 26 -3.313 9.007 3.703 185 1HB SER 26 1HB SER 26 -4.209 10.610 5.011 186 2HB SER 26 2HB SER 26 -5.221 9.407 5.784 187 HG SER 26 HG SER 26 -2.533 10.147 6.576 188 H PHE 27 H PHE 27 -1.092 9.182 4.219 189 HA PHE 27 HA PHE 27 0.028 8.129 6.556 190 1HB PHE 27 1HB PHE 27 1.189 6.166 5.423 191 2HB PHE 27 2HB PHE 27 -0.549 5.953 5.504 192 HD1 PHE 27 1HD PHE 27 2.106 7.216 3.213 193 HD2 PHE 27 2HD PHE 27 -1.723 5.422 3.575 194 HE1 PHE 27 1HE PHE 27 2.032 6.873 0.728 195 HE2 PHE 27 2HE PHE 27 -1.797 5.079 1.089 196 HZ PHE 27 HZ PHE 27 0.081 5.809 -0.304 197 H ALA 28 H ALA 28 2.601 7.659 5.974 198 HA ALA 28 HA ALA 28 3.373 9.842 4.163 199 1HB ALA 28 1HB ALA 28 3.516 10.168 6.778 200 2HB ALA 28 2HB ALA 28 4.964 9.144 6.625 201 3HB ALA 28 3HB ALA 28 4.866 10.685 5.739 202 H GLN 29 H GLN 29 5.340 9.517 2.982 203 HA GLN 29 HA GLN 29 5.705 7.014 2.024 204 1HB GLN 29 1HB GLN 29 6.537 9.072 0.934 205 2HB GLN 29 2HB GLN 29 7.744 9.278 2.189 206 1HG GLN 29 1HG GLN 29 8.533 6.858 1.519 207 2HG GLN 29 2HG GLN 29 7.597 7.116 0.060 208 1HE2 GLN 29 1HE2 GLN 29 10.266 6.698 -0.092 209 2HE2 GLN 29 2HE2 GLN 29 11.107 8.131 -0.580 210 H GLY 30 H GLY 30 6.683 5.154 2.731 211 1HA GLY 30 1HA GLY 30 8.665 4.182 3.733 212 2HA GLY 30 2HA GLY 30 8.580 5.403 4.987 213 H ASP 31 H ASP 31 5.585 5.300 5.180 214 HA ASP 31 HA ASP 31 5.359 3.552 7.233 215 1HB ASP 31 1HB ASP 31 3.253 4.573 5.277 216 2HB ASP 31 2HB ASP 31 2.834 3.676 6.723 217 H VAL 32 H VAL 32 4.216 1.426 7.401 218 HA VAL 32 HA VAL 32 4.357 -0.074 4.878 219 HB VAL 32 HB VAL 32 4.841 -0.911 7.740 220 1HG1 VAL 32 1HG1 VAL 32 5.452 -2.924 5.728 221 2HG1 VAL 32 2HG1 VAL 32 4.496 -3.059 7.223 222 3HG1 VAL 32 3HG1 VAL 32 3.725 -2.493 5.722 223 1HG2 VAL 32 1HG2 VAL 32 7.101 -1.419 6.974 224 2HG2 VAL 32 2HG2 VAL 32 6.677 -0.917 5.320 225 3HG2 VAL 32 3HG2 VAL 32 6.703 0.283 6.635 226 H LEU 33 H LEU 33 2.543 -1.152 4.178 227 HA LEU 33 HA LEU 33 0.255 -1.108 6.019 228 1HB LEU 33 1HB LEU 33 -0.142 -0.923 3.070 229 2HB LEU 33 2HB LEU 33 -1.171 -0.379 4.380 230 HG LEU 33 HG LEU 33 1.473 0.971 3.903 231 1HD1 LEU 33 1HD1 LEU 33 0.444 2.534 2.353 232 2HD1 LEU 33 2HD1 LEU 33 0.362 0.876 1.710 233 3HD1 LEU 33 3HD1 LEU 33 -1.087 1.628 2.419 234 1HD2 LEU 33 1HD2 LEU 33 -0.101 2.938 4.656 235 2HD2 LEU 33 2HD2 LEU 33 -1.098 1.610 5.298 236 3HD2 LEU 33 3HD2 LEU 33 0.585 1.805 5.847 237 H THR 34 H THR 34 -1.014 -2.974 6.114 238 HA THR 34 HA THR 34 0.244 -5.308 4.884 239 HB THR 34 HB THR 34 -1.780 -4.906 7.147 240 HG1 THR 34 1HG THR 34 0.412 -4.415 7.699 241 1HG2 THR 34 1HG2 THR 34 -1.264 -7.273 5.573 242 2HG2 THR 34 2HG2 THR 34 -0.464 -7.480 7.150 243 3HG2 THR 34 3HG2 THR 34 -2.211 -7.147 7.075 244 H LEU 35 H LEU 35 -0.533 -6.271 3.120 245 HA LEU 35 HA LEU 35 -2.881 -5.250 1.903 246 1HB LEU 35 1HB LEU 35 -0.987 -7.505 1.280 247 2HB LEU 35 2HB LEU 35 -2.421 -7.206 0.317 248 HG LEU 35 HG LEU 35 -1.046 -4.721 0.577 249 1HD1 LEU 35 1HD1 LEU 35 0.752 -7.050 0.401 250 2HD1 LEU 35 2HD1 LEU 35 1.016 -5.800 -0.839 251 3HD1 LEU 35 3HD1 LEU 35 1.079 -5.369 0.887 252 1HD2 LEU 35 1HD2 LEU 35 -0.692 -5.233 -1.965 253 2HD2 LEU 35 2HD2 LEU 35 -1.747 -6.627 -1.631 254 3HD2 LEU 35 3HD2 LEU 35 -2.330 -4.974 -1.318 255 H LEU 36 H LEU 36 -4.921 -6.233 1.608 256 HA LEU 36 HA LEU 36 -5.427 -8.410 3.515 257 1HB LEU 36 1HB LEU 36 -7.348 -6.293 2.539 258 2HB LEU 36 2HB LEU 36 -7.679 -7.543 3.722 259 HG LEU 36 HG LEU 36 -5.683 -5.289 4.068 260 1HD1 LEU 36 1HD1 LEU 36 -8.526 -5.651 5.001 261 2HD1 LEU 36 2HD1 LEU 36 -7.381 -4.596 5.864 262 3HD1 LEU 36 3HD1 LEU 36 -7.784 -4.268 4.161 263 1HD2 LEU 36 1HD2 LEU 36 -4.850 -6.356 5.824 264 2HD2 LEU 36 2HD2 LEU 36 -6.475 -6.586 6.513 265 3HD2 LEU 36 3HD2 LEU 36 -5.814 -7.782 5.372 266 H ILE 37 H ILE 37 -6.234 -7.019 0.279 267 HA ILE 37 HA ILE 37 -7.278 -9.653 -0.463 268 HB ILE 37 HB ILE 37 -8.289 -8.470 -2.365 269 1HG1 ILE 37 1HG1 ILE 37 -7.737 -5.808 -1.137 270 2HG1 ILE 37 2HG1 ILE 37 -6.441 -6.549 -2.054 271 1HG2 ILE 37 1HG2 ILE 37 -10.081 -8.298 -1.073 272 2HG2 ILE 37 2HG2 ILE 37 -9.034 -8.375 0.365 273 3HG2 ILE 37 3HG2 ILE 37 -9.452 -6.799 -0.348 274 1HD1 ILE 37 1HD1 ILE 37 -7.819 -5.153 -3.537 275 2HD1 ILE 37 2HD1 ILE 37 -8.001 -6.864 -3.990 276 3HD1 ILE 37 3HD1 ILE 37 -9.280 -6.049 -3.059 277 HA PRO 38 HA PRO 38 -3.675 -10.278 -2.778 278 1HB PRO 38 1HB PRO 38 -4.445 -12.481 -4.201 279 2HB PRO 38 2HB PRO 38 -3.853 -12.563 -2.553 280 1HG PRO 38 1HG PRO 38 -6.627 -12.824 -3.541 281 2HG PRO 38 2HG PRO 38 -5.961 -13.314 -1.996 282 1HD PRO 38 1HD PRO 38 -7.576 -11.001 -2.512 283 2HD PRO 38 2HD PRO 38 -6.814 -11.430 -0.993 284 H GLU 39 H GLU 39 -6.663 -9.455 -4.112 285 HA GLU 39 HA GLU 39 -5.483 -9.209 -6.738 286 1HB GLU 39 1HB GLU 39 -8.129 -9.675 -5.726 287 2HB GLU 39 2HB GLU 39 -8.172 -8.159 -6.604 288 1HG GLU 39 1HG GLU 39 -6.775 -10.556 -7.826 289 2HG GLU 39 2HG GLU 39 -8.522 -10.444 -7.898 290 H GLU 40 H GLU 40 -6.406 -7.009 -7.904 291 HA GLU 40 HA GLU 40 -5.853 -4.845 -6.032 292 1HB GLU 40 1HB GLU 40 -4.518 -3.705 -7.764 293 2HB GLU 40 2HB GLU 40 -3.832 -5.274 -7.390 294 1HG GLU 40 1HG GLU 40 -5.472 -6.034 -9.411 295 2HG GLU 40 2HG GLU 40 -5.248 -4.361 -9.883 296 H LYS 41 H LYS 41 -7.069 -2.925 -6.341 297 HA LYS 41 HA LYS 41 -9.461 -3.312 -7.886 298 1HB LYS 41 1HB LYS 41 -8.920 -2.090 -5.508 299 2HB LYS 41 2HB LYS 41 -8.957 -0.704 -6.579 300 1HG LYS 41 1HG LYS 41 -11.154 -2.453 -7.285 301 2HG LYS 41 2HG LYS 41 -11.181 -2.212 -5.549 302 1HD LYS 41 1HD LYS 41 -11.344 0.172 -5.761 303 2HD LYS 41 2HD LYS 41 -10.835 0.145 -7.438 304 1HE LYS 41 1HE LYS 41 -13.028 0.121 -8.026 305 2HE LYS 41 2HE LYS 41 -13.121 -1.512 -7.397 306 1HZ LYS 41 1HZ LYS 41 -14.270 -0.795 -5.670 307 2HZ LYS 41 2HZ LYS 41 -13.231 0.418 -5.332 308 3HZ LYS 41 3HZ LYS 41 -14.425 0.646 -6.422 309 H ASP 42 H ASP 42 -7.894 -3.508 -9.881 310 HA ASP 42 HA ASP 42 -7.242 -2.697 -11.781 311 1HB ASP 42 1HB ASP 42 -9.111 -0.460 -10.924 312 2HB ASP 42 2HB ASP 42 -8.237 -0.350 -12.439 313 H GLY 43 H GLY 43 -5.081 -2.522 -10.501 314 1HA GLY 43 1HA GLY 43 -3.118 -1.326 -10.558 315 2HA GLY 43 2HA GLY 43 -4.003 0.156 -10.860 316 H TRP 44 H TRP 44 -5.945 -0.072 -8.695 317 HA TRP 44 HA TRP 44 -4.273 0.892 -6.576 318 1HB TRP 44 1HB TRP 44 -7.261 0.589 -6.884 319 2HB TRP 44 2HB TRP 44 -6.498 1.213 -5.435 320 HD1 TRP 44 HD TRP 44 -6.630 2.127 -9.234 321 HE1 TRP 44 1HE TRP 44 -6.457 4.739 -9.562 322 HE3 TRP 44 3HE TRP 44 -5.942 3.227 -4.317 323 HZ2 TRP 44 2HZ TRP 44 -6.061 6.924 -7.769 324 HZ3 TRP 44 3HZ TRP 44 -5.671 5.624 -3.691 325 HH2 TRP 44 HH TRP 44 -5.722 7.442 -5.324 326 H LEU 45 H LEU 45 -4.259 -0.026 -4.386 327 HA LEU 45 HA LEU 45 -5.133 -2.814 -4.266 328 1HB LEU 45 1HB LEU 45 -2.368 -1.771 -4.104 329 2HB LEU 45 2HB LEU 45 -2.817 -2.950 -2.888 330 HG LEU 45 HG LEU 45 -3.140 -3.404 -5.865 331 1HD1 LEU 45 1HD1 LEU 45 -0.734 -3.058 -4.872 332 2HD1 LEU 45 2HD1 LEU 45 -0.976 -4.711 -4.258 333 3HD1 LEU 45 3HD1 LEU 45 -1.070 -4.389 -6.006 334 1HD2 LEU 45 1HD2 LEU 45 -2.888 -5.694 -4.027 335 2HD2 LEU 45 2HD2 LEU 45 -4.364 -4.721 -3.816 336 3HD2 LEU 45 3HD2 LEU 45 -3.986 -5.430 -5.404 337 H TYR 46 H TYR 46 -5.588 -3.567 -2.105 338 HA TYR 46 HA TYR 46 -6.084 -1.319 -0.282 339 1HB TYR 46 1HB TYR 46 -7.834 -3.077 -1.350 340 2HB TYR 46 2HB TYR 46 -7.189 -4.169 -0.141 341 HD1 TYR 46 1HD TYR 46 -8.364 -0.595 -0.238 342 HD2 TYR 46 2HD TYR 46 -8.472 -4.370 1.771 343 HE1 TYR 46 1HE TYR 46 -9.967 0.362 1.488 344 HE2 TYR 46 2HE TYR 46 -10.075 -3.401 3.491 345 HH TYR 46 HH TYR 46 -11.006 -1.587 4.257 346 H GLY 47 H GLY 47 -5.841 -1.745 2.066 347 1HA GLY 47 1HA GLY 47 -4.475 -4.021 3.033 348 2HA GLY 47 2HA GLY 47 -3.321 -2.742 2.711 349 H GLU 48 H GLU 48 -3.165 -3.112 5.217 350 HA GLU 48 HA GLU 48 -5.100 -1.307 6.448 351 1HB GLU 48 1HB GLU 48 -5.392 -3.599 7.291 352 2HB GLU 48 2HB GLU 48 -3.685 -3.717 7.670 353 1HG GLU 48 1HG GLU 48 -3.920 -1.829 9.301 354 2HG GLU 48 2HG GLU 48 -5.628 -1.721 8.927 355 H HIS 49 H HIS 49 -4.284 0.296 7.891 356 HA HIS 49 HA HIS 49 -1.503 0.889 7.433 357 1HB HIS 49 1HB HIS 49 -3.471 2.537 7.324 358 2HB HIS 49 2HB HIS 49 -3.465 2.494 9.076 359 HD1 HIS 49 1HD HIS 49 -0.810 2.954 10.072 360 HD2 HIS 49 2HD HIS 49 -1.946 4.580 6.375 361 HE1 HIS 49 1HE HIS 49 0.805 4.874 9.608 362 H ASP 50 H ASP 50 0.150 0.751 8.929 363 HA ASP 50 HA ASP 50 -0.495 -0.757 11.275 364 1HB ASP 50 1HB ASP 50 1.616 -0.856 9.594 365 2HB ASP 50 2HB ASP 50 2.267 0.319 10.719 366 H THR 51 H THR 51 -1.684 1.772 11.448 367 HA THR 51 HA THR 51 -0.334 2.887 13.726 368 HB THR 51 HB THR 51 -0.771 4.649 11.262 369 HG1 THR 51 1HG THR 51 0.984 3.273 10.787 370 1HG2 THR 51 1HG2 THR 51 1.288 5.636 12.910 371 2HG2 THR 51 2HG2 THR 51 -0.363 6.294 12.808 372 3HG2 THR 51 3HG2 THR 51 0.044 5.101 14.065 373 H THR 52 H THR 52 -2.766 3.996 11.269 374 HA THR 52 HA THR 52 -4.532 4.827 13.351 375 HB THR 52 HB THR 52 -6.043 5.078 11.203 376 HG1 THR 52 1HG THR 52 -4.890 3.681 9.803 377 1HG2 THR 52 1HG2 THR 52 -3.305 6.442 11.120 378 2HG2 THR 52 2HG2 THR 52 -4.837 7.060 10.454 379 3HG2 THR 52 3HG2 THR 52 -4.610 6.956 12.217 380 H LYS 53 H LYS 53 -3.938 1.820 11.650 381 HA LYS 53 HA LYS 53 -4.764 -0.201 12.069 382 1HB LYS 53 1HB LYS 53 -6.791 0.991 13.972 383 2HB LYS 53 2HB LYS 53 -6.218 -0.664 13.904 384 1HG LYS 53 1HG LYS 53 -4.354 1.687 14.452 385 2HG LYS 53 2HG LYS 53 -5.188 0.833 15.735 386 1HD LYS 53 1HD LYS 53 -3.870 -1.035 13.884 387 2HD LYS 53 2HD LYS 53 -2.727 0.111 14.556 388 1HE LYS 53 1HE LYS 53 -3.217 -0.536 16.812 389 2HE LYS 53 2HE LYS 53 -4.713 -1.326 16.355 390 1HZ LYS 53 1HZ LYS 53 -2.578 -2.461 14.948 391 2HZ LYS 53 2HZ LYS 53 -2.230 -2.467 16.544 392 3HZ LYS 53 3HZ LYS 53 -3.600 -3.174 16.004 393 H ALA 54 H ALA 54 -6.192 2.390 10.589 394 HA ALA 54 HA ALA 54 -8.610 0.946 9.826 395 1HB ALA 54 1HB ALA 54 -7.653 3.768 9.194 396 2HB ALA 54 2HB ALA 54 -9.254 3.092 8.810 397 3HB ALA 54 3HB ALA 54 -8.770 3.324 10.507 398 H ARG 55 H ARG 55 -9.150 0.802 7.472 399 HA ARG 55 HA ARG 55 -6.688 0.509 5.944 400 1HB ARG 55 1HB ARG 55 -9.256 -1.148 5.775 401 2HB ARG 55 2HB ARG 55 -7.890 -1.336 4.694 402 1HG ARG 55 1HG ARG 55 -6.863 -2.693 6.190 403 2HG ARG 55 2HG ARG 55 -6.862 -1.408 7.381 404 1HD ARG 55 1HD ARG 55 -9.551 -2.453 7.221 405 2HD ARG 55 2HD ARG 55 -8.455 -3.815 7.356 406 HE ARG 55 HE ARG 55 -7.551 -1.950 9.254 407 1HH1 ARG 55 2HH2 ARG 55 -10.521 -3.737 8.647 408 2HH1 ARG 55 1HH2 ARG 55 -10.981 -3.789 10.316 409 1HH2 ARG 55 2HH1 ARG 55 -8.158 -2.018 11.456 410 2HH2 ARG 55 1HH1 ARG 55 -9.628 -2.805 11.925 411 H GLY 56 H GLY 56 -6.668 1.395 3.834 412 1HA GLY 56 1HA GLY 56 -9.199 2.585 2.884 413 2HA GLY 56 2HA GLY 56 -7.721 3.524 2.957 414 H TRP 57 H TRP 57 -8.247 3.714 0.541 415 HA TRP 57 HA TRP 57 -7.244 1.347 -0.884 416 1HB TRP 57 1HB TRP 57 -9.205 3.492 -1.658 417 2HB TRP 57 2HB TRP 57 -8.358 2.554 -2.872 418 HD1 TRP 57 HD TRP 57 -11.364 2.369 -0.644 419 HE1 TRP 57 1HE TRP 57 -12.595 0.038 -0.774 420 HE3 TRP 57 3HE TRP 57 -7.647 -0.046 -3.135 421 HZ2 TRP 57 2HZ TRP 57 -11.891 -2.497 -1.880 422 HZ3 TRP 57 3HZ TRP 57 -7.999 -2.448 -3.701 423 HH2 TRP 57 HH TRP 57 -10.032 -3.671 -3.115 424 H PHE 58 H PHE 58 -5.376 1.587 -2.114 425 HA PHE 58 HA PHE 58 -4.403 4.296 -2.553 426 1HB PHE 58 1HB PHE 58 -2.159 3.535 -1.665 427 2HB PHE 58 2HB PHE 58 -3.390 3.476 -0.419 428 HD1 PHE 58 1HD PHE 58 -1.577 1.360 -2.871 429 HD2 PHE 58 2HD PHE 58 -3.849 1.473 0.711 430 HE1 PHE 58 1HE PHE 58 -1.042 -1.056 -2.455 431 HE2 PHE 58 2HE PHE 58 -3.314 -0.944 1.127 432 HZ PHE 58 HZ PHE 58 -1.917 -2.180 -0.461 433 HA PRO 59 HA PRO 59 -3.166 2.530 -6.311 434 1HB PRO 59 1HB PRO 59 -1.279 4.318 -7.154 435 2HB PRO 59 2HB PRO 59 -3.002 4.596 -7.315 436 1HG PRO 59 1HG PRO 59 -1.102 5.798 -5.395 437 2HG PRO 59 2HG PRO 59 -2.699 6.355 -5.854 438 1HD PRO 59 1HD PRO 59 -1.985 5.001 -3.428 439 2HD PRO 59 2HD PRO 59 -3.599 5.455 -3.939 440 H SER 60 H SER 60 -2.158 0.669 -6.684 441 HA SER 60 HA SER 60 -0.181 -0.222 -5.083 442 1HB SER 60 1HB SER 60 0.155 -1.979 -6.682 443 2HB SER 60 2HB SER 60 -1.533 -1.523 -6.803 444 HG SER 60 HG SER 60 0.359 -1.515 -8.753 445 H SER 61 H SER 61 0.006 2.129 -7.680 446 HA SER 61 HA SER 61 2.725 1.771 -8.268 447 1HB SER 61 1HB SER 61 0.551 3.427 -9.150 448 2HB SER 61 2HB SER 61 1.879 4.495 -8.739 449 HG SER 61 HG SER 61 2.068 2.197 -10.496 450 H TYR 62 H TYR 62 0.877 3.575 -5.817 451 HA TYR 62 HA TYR 62 3.169 5.131 -5.008 452 1HB TYR 62 1HB TYR 62 0.233 4.731 -4.368 453 2HB TYR 62 2HB TYR 62 1.214 5.362 -3.060 454 HD1 TYR 62 1HD TYR 62 0.851 7.637 -2.811 455 HD2 TYR 62 2HD TYR 62 1.160 6.023 -6.761 456 HE1 TYR 62 1HE TYR 62 0.644 9.974 -3.790 457 HE2 TYR 62 2HE TYR 62 0.952 8.365 -7.727 458 HH TYR 62 HH TYR 62 -0.151 10.573 -6.868 459 H THR 63 H THR 63 2.764 1.949 -4.825 460 HA THR 63 HA THR 63 4.095 1.800 -2.241 461 HB THR 63 HB THR 63 2.498 -0.170 -1.685 462 HG1 THR 63 1HG THR 63 1.019 1.358 -3.710 463 1HG2 THR 63 1HG2 THR 63 2.264 2.177 -0.657 464 2HG2 THR 63 2HG2 THR 63 1.106 2.540 -1.958 465 3HG2 THR 63 3HG2 THR 63 0.746 1.257 -0.778 466 H LYS 64 H LYS 64 5.362 -0.120 -1.956 467 HA LYS 64 HA LYS 64 5.661 -1.686 -4.412 468 1HB LYS 64 1HB LYS 64 7.944 -0.442 -2.849 469 2HB LYS 64 2HB LYS 64 8.109 -1.544 -4.201 470 1HG LYS 64 1HG LYS 64 6.439 0.323 -5.320 471 2HG LYS 64 2HG LYS 64 7.307 1.339 -4.187 472 1HD LYS 64 1HD LYS 64 9.262 1.210 -5.373 473 2HD LYS 64 2HD LYS 64 9.088 -0.510 -5.659 474 1HE LYS 64 1HE LYS 64 7.955 -0.214 -7.663 475 2HE LYS 64 2HE LYS 64 7.155 1.249 -7.124 476 1HZ LYS 64 1HZ LYS 64 9.730 1.971 -7.173 477 2HZ LYS 64 2HZ LYS 64 9.660 0.952 -8.446 478 3HZ LYS 64 3HZ LYS 64 8.665 2.246 -8.380 479 H LEU 65 H LEU 65 6.762 -3.798 -4.020 480 HA LEU 65 HA LEU 65 5.712 -4.947 -1.628 481 1HB LEU 65 1HB LEU 65 7.132 -5.936 -4.069 482 2HB LEU 65 2HB LEU 65 7.029 -6.971 -2.658 483 HG LEU 65 HG LEU 65 4.483 -5.736 -3.580 484 1HD1 LEU 65 1HD1 LEU 65 4.142 -7.172 -5.427 485 2HD1 LEU 65 2HD1 LEU 65 5.734 -6.415 -5.676 486 3HD1 LEU 65 3HD1 LEU 65 5.628 -8.092 -5.088 487 1HD2 LEU 65 1HD2 LEU 65 3.826 -7.178 -2.013 488 2HD2 LEU 65 2HD2 LEU 65 4.139 -8.458 -3.209 489 3HD2 LEU 65 3HD2 LEU 65 5.389 -8.028 -2.018 490 H LEU 66 H LEU 66 6.754 -5.487 0.254 491 HA LEU 66 HA LEU 66 9.149 -4.189 0.853 492 1HB LEU 66 1HB LEU 66 7.655 -6.422 2.228 493 2HB LEU 66 2HB LEU 66 9.063 -5.634 2.911 494 HG LEU 66 HG LEU 66 6.271 -4.709 2.722 495 1HD1 LEU 66 1HD1 LEU 66 6.597 -4.433 4.899 496 2HD1 LEU 66 2HD1 LEU 66 8.249 -5.061 4.691 497 3HD1 LEU 66 3HD1 LEU 66 7.946 -3.309 4.606 498 1HD2 LEU 66 1HD2 LEU 66 7.401 -3.211 1.078 499 2HD2 LEU 66 2HD2 LEU 66 6.731 -2.367 2.495 500 3HD2 LEU 66 3HD2 LEU 66 8.481 -2.667 2.384 501 H SER 67 H SER 67 11.046 -5.606 1.933 502 HA SER 67 HA SER 67 11.604 -7.846 0.186 503 1HB SER 67 1HB SER 67 13.165 -5.279 0.360 504 2HB SER 67 2HB SER 67 14.072 -6.768 0.188 505 HG SER 67 HG SER 67 13.266 -7.102 -1.823 506 H GLY 68 H GLY 68 11.306 -9.213 2.040 507 1HA GLY 68 1HA GLY 68 13.617 -9.362 3.768 508 2HA GLY 68 2HA GLY 68 12.139 -8.905 4.590 509 HA PRO 69 HA PRO 69 12.313 -13.497 3.772 510 1HB PRO 69 1HB PRO 69 13.519 -14.477 6.020 511 2HB PRO 69 2HB PRO 69 14.367 -14.233 4.506 512 1HG PRO 69 1HG PRO 69 14.486 -12.617 6.979 513 2HG PRO 69 2HG PRO 69 15.610 -12.652 5.635 514 1HD PRO 69 1HD PRO 69 13.651 -10.629 6.181 515 2HD PRO 69 2HD PRO 69 14.695 -10.725 4.777 516 H SER 70 H SER 70 10.397 -14.446 4.037 517 HA SER 70 HA SER 70 9.319 -14.243 6.713 518 1HB SER 70 1HB SER 70 8.445 -12.388 5.039 519 2HB SER 70 2HB SER 70 7.492 -13.693 4.364 520 HG SER 70 HG SER 70 6.995 -12.229 6.593 521 H SER 71 H SER 71 9.922 -16.540 6.758 522 HA SER 71 HA SER 71 9.323 -18.638 6.735 523 1HB SER 71 1HB SER 71 6.898 -17.539 6.420 524 2HB SER 71 2HB SER 71 7.020 -18.258 4.826 525 HG SER 71 HG SER 71 7.800 -20.212 6.402 526 H GLY 72 H GLY 72 8.503 -17.235 3.471 527 1HA GLY 72 1HA GLY 72 10.725 -18.610 2.253 528 2HA GLY 72 2HA GLY 72 9.165 -19.293 1.838 Start of MODEL 13 1 1H GLY 1 H GLY 1 8.731 -17.033 5.260 2 1HA GLY 1 1HA GLY 1 7.862 -18.032 7.183 3 2HA GLY 1 2HA GLY 1 6.316 -18.255 6.389 4 H SER 2 H SER 2 6.041 -19.985 4.808 5 HA SER 2 HA SER 2 8.223 -21.743 4.361 6 1HB SER 2 1HB SER 2 6.897 -22.208 6.730 7 2HB SER 2 2HB SER 2 5.969 -23.215 5.637 8 HG SER 2 HG SER 2 7.927 -24.291 5.000 9 H SER 3 H SER 3 7.798 -21.589 2.138 10 HA SER 3 HA SER 3 6.788 -21.852 0.233 11 1HB SER 3 1HB SER 3 6.261 -24.205 1.745 12 2HB SER 3 2HB SER 3 4.764 -23.837 0.911 13 HG SER 3 HG SER 3 5.728 -24.092 -1.061 14 H GLY 4 H GLY 4 5.688 -19.904 -0.131 15 1HA GLY 4 1HA GLY 4 3.692 -18.900 -0.747 16 2HA GLY 4 2HA GLY 4 2.798 -19.985 0.299 17 H SER 5 H SER 5 2.675 -17.007 0.124 18 HA SER 5 HA SER 5 3.277 -16.519 2.925 19 1HB SER 5 1HB SER 5 3.892 -14.141 2.287 20 2HB SER 5 2HB SER 5 5.044 -15.360 1.777 21 HG SER 5 HG SER 5 4.693 -14.844 -0.270 22 H SER 6 H SER 6 1.781 -15.037 3.977 23 HA SER 6 HA SER 6 -0.529 -14.399 2.318 24 1HB SER 6 1HB SER 6 -0.369 -15.957 4.852 25 2HB SER 6 2HB SER 6 -1.635 -14.747 4.818 26 HG SER 6 HG SER 6 -2.496 -15.702 2.906 27 H GLY 7 H GLY 7 -1.654 -12.422 2.904 28 1HA GLY 7 1HA GLY 7 -1.727 -10.276 3.565 29 2HA GLY 7 2HA GLY 7 -1.195 -10.857 5.130 30 H GLN 8 H GLN 8 0.248 -10.365 1.820 31 HA GLN 8 HA GLN 8 2.815 -10.010 2.752 32 1HB GLN 8 1HB GLN 8 1.399 -9.837 0.241 33 2HB GLN 8 2HB GLN 8 2.456 -8.446 0.370 34 1HG GLN 8 1HG GLN 8 3.402 -11.295 0.915 35 2HG GLN 8 2HG GLN 8 3.499 -10.550 -0.668 36 1HE2 GLN 8 1HE2 GLN 8 5.041 -11.069 2.235 37 2HE2 GLN 8 2HE2 GLN 8 6.299 -9.881 2.147 38 H LYS 9 H LYS 9 4.134 -7.906 2.562 39 HA LYS 9 HA LYS 9 2.498 -5.678 3.562 40 1HB LYS 9 1HB LYS 9 5.289 -6.516 4.402 41 2HB LYS 9 2HB LYS 9 4.496 -5.038 4.906 42 1HG LYS 9 1HG LYS 9 2.565 -7.003 5.437 43 2HG LYS 9 2HG LYS 9 4.069 -7.807 5.842 44 1HD LYS 9 1HD LYS 9 4.354 -5.213 6.930 45 2HD LYS 9 2HD LYS 9 2.684 -5.633 7.254 46 1HE LYS 9 1HE LYS 9 4.664 -7.811 7.784 47 2HE LYS 9 2HE LYS 9 4.802 -6.411 8.829 48 1HZ LYS 9 1HZ LYS 9 2.626 -8.293 8.587 49 2HZ LYS 9 2HZ LYS 9 3.215 -7.547 9.915 50 3HZ LYS 9 3HZ LYS 9 2.217 -6.743 8.903 51 H VAL 10 H VAL 10 2.970 -3.590 2.780 52 HA VAL 10 HA VAL 10 4.970 -3.512 0.635 53 HB VAL 10 HB VAL 10 3.344 -1.996 -0.564 54 1HG1 VAL 10 1HG1 VAL 10 3.621 -4.052 -1.596 55 2HG1 VAL 10 2HG1 VAL 10 2.969 -4.958 -0.210 56 3HG1 VAL 10 3HG1 VAL 10 1.871 -4.046 -1.273 57 1HG2 VAL 10 1HG2 VAL 10 1.870 -2.192 1.775 58 2HG2 VAL 10 2HG2 VAL 10 1.286 -1.565 0.215 59 3HG2 VAL 10 3HG2 VAL 10 1.001 -3.266 0.653 60 H LYS 11 H LYS 11 5.856 -1.348 0.239 61 HA LYS 11 HA LYS 11 5.453 0.426 2.546 62 1HB LYS 11 1HB LYS 11 7.542 -0.353 3.059 63 2HB LYS 11 2HB LYS 11 7.954 -0.715 1.395 64 1HG LYS 11 1HG LYS 11 8.136 1.748 0.922 65 2HG LYS 11 2HG LYS 11 7.766 2.087 2.601 66 1HD LYS 11 1HD LYS 11 9.946 0.125 2.350 67 2HD LYS 11 2HD LYS 11 10.323 1.616 1.509 68 1HE LYS 11 1HE LYS 11 9.116 1.936 4.232 69 2HE LYS 11 2HE LYS 11 10.727 1.247 4.193 70 1HZ LYS 11 1HZ LYS 11 10.225 3.840 4.090 71 2HZ LYS 11 2HZ LYS 11 11.587 3.165 3.494 72 3HZ LYS 11 3HZ LYS 11 10.349 3.525 2.493 73 H THR 12 H THR 12 5.025 2.544 2.076 74 HA THR 12 HA THR 12 4.552 3.184 -0.682 75 HB THR 12 HB THR 12 3.620 5.253 0.319 76 HG1 THR 12 1HG THR 12 4.310 5.782 2.395 77 1HG2 THR 12 1HG2 THR 12 1.883 3.810 0.818 78 2HG2 THR 12 2HG2 THR 12 2.982 2.574 1.475 79 3HG2 THR 12 3HG2 THR 12 2.492 3.955 2.484 80 H ILE 13 H ILE 13 5.758 4.336 -2.087 81 HA ILE 13 HA ILE 13 8.376 5.162 -1.091 82 HB ILE 13 HB ILE 13 8.877 5.288 -3.569 83 1HG1 ILE 13 1HG1 ILE 13 6.317 3.689 -3.830 84 2HG1 ILE 13 2HG1 ILE 13 6.449 5.385 -4.247 85 1HG2 ILE 13 1HG2 ILE 13 8.166 2.662 -2.243 86 2HG2 ILE 13 2HG2 ILE 13 9.086 2.798 -3.760 87 3HG2 ILE 13 3HG2 ILE 13 9.741 3.491 -2.257 88 1HD1 ILE 13 1HD1 ILE 13 8.489 4.653 -5.722 89 2HD1 ILE 13 2HD1 ILE 13 7.821 3.012 -5.544 90 3HD1 ILE 13 3HD1 ILE 13 6.846 4.292 -6.306 91 H PHE 14 H PHE 14 5.276 6.406 -1.725 92 HA PHE 14 HA PHE 14 6.402 9.090 -1.782 93 1HB PHE 14 1HB PHE 14 4.137 8.033 -3.578 94 2HB PHE 14 2HB PHE 14 4.761 9.671 -3.596 95 HD1 PHE 14 1HD PHE 14 4.656 7.032 -5.589 96 HD2 PHE 14 2HD PHE 14 7.630 9.356 -3.649 97 HE1 PHE 14 1HE PHE 14 6.317 6.379 -7.353 98 HE2 PHE 14 2HE PHE 14 9.291 8.703 -5.414 99 HZ PHE 14 HZ PHE 14 8.615 7.222 -7.245 100 HA PRO 15 HA PRO 15 3.190 9.730 1.058 101 1HB PRO 15 1HB PRO 15 3.080 12.460 1.094 102 2HB PRO 15 2HB PRO 15 4.275 11.538 1.983 103 1HG PRO 15 1HG PRO 15 4.612 13.091 -0.509 104 2HG PRO 15 2HG PRO 15 5.839 12.529 0.608 105 1HD PRO 15 1HD PRO 15 5.195 11.395 -1.946 106 2HD PRO 15 2HD PRO 15 6.340 10.766 -0.779 107 H HIS 16 H HIS 16 0.975 10.298 1.412 108 HA HIS 16 HA HIS 16 -0.327 11.345 -0.946 109 1HB HIS 16 1HB HIS 16 -0.117 8.801 -1.150 110 2HB HIS 16 2HB HIS 16 -1.236 8.698 0.195 111 HD1 HIS 16 1HD HIS 16 -3.315 7.841 -0.957 112 HD2 HIS 16 2HD HIS 16 -1.657 11.174 -2.889 113 HE1 HIS 16 1HE HIS 16 -4.977 8.516 -2.770 114 H THR 17 H THR 17 -2.862 11.426 -0.398 115 HA THR 17 HA THR 17 -3.295 11.822 2.451 116 HB THR 17 HB THR 17 -3.552 14.043 0.355 117 HG1 THR 17 1HG THR 17 -1.919 13.502 2.734 118 1HG2 THR 17 1HG2 THR 17 -3.862 15.399 2.571 119 2HG2 THR 17 2HG2 THR 17 -5.271 14.495 1.968 120 3HG2 THR 17 3HG2 THR 17 -4.297 13.837 3.304 121 H ALA 18 H ALA 18 -5.372 11.428 3.091 122 HA ALA 18 HA ALA 18 -7.117 10.472 0.956 123 1HB ALA 18 1HB ALA 18 -8.358 9.453 2.898 124 2HB ALA 18 2HB ALA 18 -6.675 8.897 2.741 125 3HB ALA 18 3HB ALA 18 -7.102 10.106 3.976 126 H GLY 19 H GLY 19 -6.574 13.177 3.061 127 1HA GLY 19 1HA GLY 19 -8.930 14.174 3.828 128 2HA GLY 19 2HA GLY 19 -7.679 15.161 3.100 129 H ASN 20 H ASN 20 -10.805 15.050 2.965 130 HA ASN 20 HA ASN 20 -12.189 15.857 1.462 131 1HB ASN 20 1HB ASN 20 -9.839 16.384 0.125 132 2HB ASN 20 2HB ASN 20 -10.559 15.230 -0.981 133 1HD2 ASN 20 1HD2 ASN 20 -10.181 18.360 -0.520 134 2HD2 ASN 20 2HD2 ASN 20 -11.650 19.023 -1.156 135 H ASN 21 H ASN 21 -10.213 13.368 -0.342 136 HA ASN 21 HA ASN 21 -12.272 12.102 -1.546 137 1HB ASN 21 1HB ASN 21 -9.584 11.094 -0.519 138 2HB ASN 21 2HB ASN 21 -10.670 10.012 -1.368 139 1HD2 ASN 21 1HD2 ASN 21 -11.150 10.329 -3.528 140 2HD2 ASN 21 2HD2 ASN 21 -10.213 11.347 -4.570 141 H LYS 22 H LYS 22 -12.886 9.627 -1.004 142 HA LYS 22 HA LYS 22 -13.157 9.261 1.879 143 1HB LYS 22 1HB LYS 22 -15.547 8.666 1.593 144 2HB LYS 22 2HB LYS 22 -15.209 10.357 1.288 145 1HG LYS 22 1HG LYS 22 -14.859 9.105 -1.227 146 2HG LYS 22 2HG LYS 22 -16.267 8.319 -0.540 147 1HD LYS 22 1HD LYS 22 -16.154 11.305 -0.265 148 2HD LYS 22 2HD LYS 22 -16.387 10.687 -1.888 149 1HE LYS 22 1HE LYS 22 -18.120 9.154 -0.209 150 2HE LYS 22 2HE LYS 22 -18.300 10.819 0.305 151 1HZ LYS 22 1HZ LYS 22 -19.131 9.603 -2.109 152 2HZ LYS 22 2HZ LYS 22 -19.604 11.019 -1.448 153 3HZ LYS 22 3HZ LYS 22 -18.273 10.963 -2.393 154 H THR 23 H THR 23 -11.214 8.033 0.378 155 HA THR 23 HA THR 23 -11.897 5.305 0.713 156 HB THR 23 HB THR 23 -13.000 5.234 -1.357 157 HG1 THR 23 1HG THR 23 -10.835 4.040 -1.291 158 1HG2 THR 23 1HG2 THR 23 -12.125 6.528 -3.378 159 2HG2 THR 23 2HG2 THR 23 -12.758 7.566 -2.078 160 3HG2 THR 23 3HG2 THR 23 -11.001 7.363 -2.279 161 H LEU 24 H LEU 24 -9.731 7.737 -0.822 162 HA LEU 24 HA LEU 24 -7.468 6.123 -0.885 163 1HB LEU 24 1HB LEU 24 -7.700 9.120 -0.573 164 2HB LEU 24 2HB LEU 24 -6.239 8.253 -1.005 165 HG LEU 24 HG LEU 24 -8.787 8.396 -2.639 166 1HD1 LEU 24 1HD1 LEU 24 -6.393 10.049 -2.515 167 2HD1 LEU 24 2HD1 LEU 24 -6.674 9.386 -4.143 168 3HD1 LEU 24 3HD1 LEU 24 -7.946 10.335 -3.337 169 1HD2 LEU 24 1HD2 LEU 24 -6.430 6.616 -2.810 170 2HD2 LEU 24 2HD2 LEU 24 -8.096 6.391 -3.397 171 3HD2 LEU 24 3HD2 LEU 24 -6.946 7.373 -4.337 172 H LEU 25 H LEU 25 -5.623 5.991 0.536 173 HA LEU 25 HA LEU 25 -6.433 6.316 3.328 174 1HB LEU 25 1HB LEU 25 -5.691 4.085 2.235 175 2HB LEU 25 2HB LEU 25 -4.070 4.740 2.355 176 HG LEU 25 HG LEU 25 -4.374 4.993 4.810 177 1HD1 LEU 25 1HD1 LEU 25 -6.339 4.801 5.823 178 2HD1 LEU 25 2HD1 LEU 25 -7.093 4.658 4.216 179 3HD1 LEU 25 3HD1 LEU 25 -6.616 3.193 5.109 180 1HD2 LEU 25 1HD2 LEU 25 -4.025 2.590 3.301 181 2HD2 LEU 25 2HD2 LEU 25 -3.329 3.041 4.876 182 3HD2 LEU 25 3HD2 LEU 25 -4.898 2.203 4.803 183 H SER 26 H SER 26 -4.779 7.096 4.887 184 HA SER 26 HA SER 26 -3.106 9.081 3.560 185 1HB SER 26 1HB SER 26 -3.730 9.379 6.467 186 2HB SER 26 2HB SER 26 -3.613 10.604 5.220 187 HG SER 26 HG SER 26 -5.789 10.494 5.708 188 H PHE 27 H PHE 27 -0.900 8.876 3.804 189 HA PHE 27 HA PHE 27 0.223 7.826 6.191 190 1HB PHE 27 1HB PHE 27 1.336 5.891 4.867 191 2HB PHE 27 2HB PHE 27 -0.372 5.677 5.194 192 HD1 PHE 27 1HD PHE 27 -2.006 5.790 3.403 193 HD2 PHE 27 2HD PHE 27 2.123 6.360 2.606 194 HE1 PHE 27 1HE PHE 27 -2.438 5.486 0.949 195 HE2 PHE 27 2HE PHE 27 1.692 6.056 0.153 196 HZ PHE 27 HZ PHE 27 -0.583 5.623 -0.647 197 H ALA 28 H ALA 28 2.608 7.941 6.165 198 HA ALA 28 HA ALA 28 3.470 10.001 4.307 199 1HB ALA 28 1HB ALA 28 3.773 10.034 6.869 200 2HB ALA 28 2HB ALA 28 5.037 8.807 6.611 201 3HB ALA 28 3HB ALA 28 5.199 10.419 5.875 202 H GLN 29 H GLN 29 5.885 9.748 3.557 203 HA GLN 29 HA GLN 29 5.921 7.441 1.958 204 1HB GLN 29 1HB GLN 29 6.855 9.508 1.106 205 2HB GLN 29 2HB GLN 29 7.956 9.647 2.462 206 1HG GLN 29 1HG GLN 29 8.947 7.372 1.688 207 2HG GLN 29 2HG GLN 29 8.036 7.600 0.208 208 1HE2 GLN 29 1HE2 GLN 29 10.690 7.391 0.032 209 2HE2 GLN 29 2HE2 GLN 29 11.444 8.900 -0.359 210 H GLY 30 H GLY 30 6.546 5.419 2.567 211 1HA GLY 30 1HA GLY 30 8.471 4.115 3.292 212 2HA GLY 30 2HA GLY 30 8.643 5.214 4.646 213 H ASP 31 H ASP 31 5.671 5.470 5.063 214 HA ASP 31 HA ASP 31 5.285 3.774 7.047 215 1HB ASP 31 1HB ASP 31 3.263 4.762 4.991 216 2HB ASP 31 2HB ASP 31 2.770 3.907 6.438 217 H VAL 32 H VAL 32 4.170 1.662 7.306 218 HA VAL 32 HA VAL 32 4.286 0.049 4.853 219 HB VAL 32 HB VAL 32 4.744 -0.692 7.748 220 1HG1 VAL 32 1HG1 VAL 32 4.123 -2.337 5.368 221 2HG1 VAL 32 2HG1 VAL 32 5.529 -2.875 6.318 222 3HG1 VAL 32 3HG1 VAL 32 3.940 -2.703 7.101 223 1HG2 VAL 32 1HG2 VAL 32 6.669 0.425 6.882 224 2HG2 VAL 32 2HG2 VAL 32 7.027 -1.319 6.858 225 3HG2 VAL 32 3HG2 VAL 32 6.587 -0.480 5.351 226 H LEU 33 H LEU 33 2.463 -1.046 4.209 227 HA LEU 33 HA LEU 33 0.184 -0.909 6.058 228 1HB LEU 33 1HB LEU 33 -0.158 -0.805 3.086 229 2HB LEU 33 2HB LEU 33 -1.263 -0.308 4.353 230 HG LEU 33 HG LEU 33 1.313 1.183 4.117 231 1HD1 LEU 33 1HD1 LEU 33 0.932 2.206 2.151 232 2HD1 LEU 33 2HD1 LEU 33 -0.008 0.738 1.790 233 3HD1 LEU 33 3HD1 LEU 33 -0.835 2.205 2.367 234 1HD2 LEU 33 1HD2 LEU 33 -1.544 1.960 4.757 235 2HD2 LEU 33 2HD2 LEU 33 -0.193 1.773 5.901 236 3HD2 LEU 33 3HD2 LEU 33 -0.167 3.088 4.701 237 H THR 34 H THR 34 -1.187 -2.738 6.132 238 HA THR 34 HA THR 34 0.101 -5.149 5.097 239 HB THR 34 HB THR 34 -2.140 -4.708 7.141 240 HG1 THR 34 1HG THR 34 -0.382 -4.677 8.553 241 1HG2 THR 34 1HG2 THR 34 -1.176 -7.107 5.851 242 2HG2 THR 34 2HG2 THR 34 -0.558 -7.097 7.520 243 3HG2 THR 34 3HG2 THR 34 -2.309 -6.984 7.218 244 H LEU 35 H LEU 35 -0.585 -6.192 3.341 245 HA LEU 35 HA LEU 35 -2.851 -5.195 1.945 246 1HB LEU 35 1HB LEU 35 -0.940 -7.481 1.503 247 2HB LEU 35 2HB LEU 35 -2.304 -7.185 0.443 248 HG LEU 35 HG LEU 35 -0.906 -4.715 0.738 249 1HD1 LEU 35 1HD1 LEU 35 1.218 -5.864 -0.528 250 2HD1 LEU 35 2HD1 LEU 35 1.186 -5.390 1.188 251 3HD1 LEU 35 3HD1 LEU 35 0.856 -7.076 0.724 252 1HD2 LEU 35 1HD2 LEU 35 -0.384 -5.363 -1.777 253 2HD2 LEU 35 2HD2 LEU 35 -1.581 -6.638 -1.445 254 3HD2 LEU 35 3HD2 LEU 35 -2.024 -4.926 -1.241 255 H LEU 36 H LEU 36 -4.869 -6.198 1.561 256 HA LEU 36 HA LEU 36 -5.447 -8.417 3.399 257 1HB LEU 36 1HB LEU 36 -7.325 -6.173 2.655 258 2HB LEU 36 2HB LEU 36 -7.632 -7.481 3.781 259 HG LEU 36 HG LEU 36 -5.571 -5.288 4.147 260 1HD1 LEU 36 1HD1 LEU 36 -7.051 -4.098 5.361 261 2HD1 LEU 36 2HD1 LEU 36 -8.244 -4.971 4.370 262 3HD1 LEU 36 3HD1 LEU 36 -7.857 -5.546 6.010 263 1HD2 LEU 36 1HD2 LEU 36 -5.753 -7.868 5.347 264 2HD2 LEU 36 2HD2 LEU 36 -4.622 -6.541 5.708 265 3HD2 LEU 36 3HD2 LEU 36 -6.173 -6.649 6.575 266 H ILE 37 H ILE 37 -6.200 -6.743 0.295 267 HA ILE 37 HA ILE 37 -7.792 -8.941 -0.615 268 HB ILE 37 HB ILE 37 -7.885 -7.671 -2.704 269 1HG1 ILE 37 1HG1 ILE 37 -6.105 -5.625 -1.352 270 2HG1 ILE 37 2HG1 ILE 37 -5.538 -6.774 -2.548 271 1HG2 ILE 37 1HG2 ILE 37 -9.562 -6.526 -1.809 272 2HG2 ILE 37 2HG2 ILE 37 -8.944 -6.968 -0.200 273 3HG2 ILE 37 3HG2 ILE 37 -8.438 -5.440 -0.958 274 1HD1 ILE 37 1HD1 ILE 37 -7.811 -5.696 -3.766 275 2HD1 ILE 37 2HD1 ILE 37 -7.096 -4.302 -2.922 276 3HD1 ILE 37 3HD1 ILE 37 -6.128 -5.221 -4.100 277 HA PRO 38 HA PRO 38 -4.649 -11.275 -2.426 278 1HB PRO 38 1HB PRO 38 -5.932 -12.477 -4.519 279 2HB PRO 38 2HB PRO 38 -6.080 -13.026 -2.861 280 1HG PRO 38 1HG PRO 38 -8.030 -11.522 -4.496 281 2HG PRO 38 2HG PRO 38 -8.303 -12.435 -3.025 282 1HD PRO 38 1HD PRO 38 -8.147 -9.582 -3.270 283 2HD PRO 38 2HD PRO 38 -8.304 -10.500 -1.785 284 H GLU 39 H GLU 39 -6.132 -8.805 -4.223 285 HA GLU 39 HA GLU 39 -3.732 -8.081 -5.374 286 1HB GLU 39 1HB GLU 39 -4.036 -8.649 -7.723 287 2HB GLU 39 2HB GLU 39 -4.094 -10.123 -6.777 288 1HG GLU 39 1HG GLU 39 -6.652 -8.629 -7.455 289 2HG GLU 39 2HG GLU 39 -5.927 -9.721 -8.619 290 H GLU 40 H GLU 40 -4.173 -6.336 -7.214 291 HA GLU 40 HA GLU 40 -5.816 -4.446 -6.119 292 1HB GLU 40 1HB GLU 40 -5.377 -3.139 -8.118 293 2HB GLU 40 2HB GLU 40 -3.926 -4.041 -7.724 294 1HG GLU 40 1HG GLU 40 -5.986 -5.120 -9.691 295 2HG GLU 40 2HG GLU 40 -4.706 -4.040 -10.206 296 H LYS 41 H LYS 41 -7.742 -3.337 -7.254 297 HA LYS 41 HA LYS 41 -9.417 -5.321 -8.609 298 1HB LYS 41 1HB LYS 41 -9.807 -4.950 -6.016 299 2HB LYS 41 2HB LYS 41 -10.645 -3.511 -6.559 300 1HG LYS 41 1HG LYS 41 -11.889 -5.081 -8.232 301 2HG LYS 41 2HG LYS 41 -11.256 -6.405 -7.274 302 1HD LYS 41 1HD LYS 41 -12.403 -4.368 -5.523 303 2HD LYS 41 2HD LYS 41 -13.574 -4.840 -6.738 304 1HE LYS 41 1HE LYS 41 -13.740 -7.014 -5.946 305 2HE LYS 41 2HE LYS 41 -12.056 -7.088 -5.468 306 1HZ LYS 41 1HZ LYS 41 -14.275 -6.438 -3.905 307 2HZ LYS 41 2HZ LYS 41 -12.727 -6.657 -3.433 308 3HZ LYS 41 3HZ LYS 41 -13.240 -5.175 -3.889 309 H ASP 42 H ASP 42 -7.695 -2.705 -9.112 310 HA ASP 42 HA ASP 42 -9.153 -1.824 -11.233 311 1HB ASP 42 1HB ASP 42 -10.781 -0.875 -9.672 312 2HB ASP 42 2HB ASP 42 -9.512 -0.115 -8.733 313 H GLY 43 H GLY 43 -6.449 -2.473 -10.489 314 1HA GLY 43 1HA GLY 43 -4.395 -1.701 -11.073 315 2HA GLY 43 2HA GLY 43 -5.073 -0.120 -11.408 316 H TRP 44 H TRP 44 -6.304 -0.854 -8.409 317 HA TRP 44 HA TRP 44 -3.978 0.333 -7.054 318 1HB TRP 44 1HB TRP 44 -6.921 0.806 -6.555 319 2HB TRP 44 2HB TRP 44 -5.628 1.383 -5.523 320 HD1 TRP 44 HD TRP 44 -5.828 1.599 -9.425 321 HE1 TRP 44 1HE TRP 44 -5.558 4.100 -10.224 322 HE3 TRP 44 3HE TRP 44 -5.611 3.617 -4.763 323 HZ2 TRP 44 2HZ TRP 44 -5.290 6.585 -8.847 324 HZ3 TRP 44 3HZ TRP 44 -5.344 6.089 -4.578 325 HH2 TRP 44 HH TRP 44 -5.185 7.560 -6.524 326 H LEU 45 H LEU 45 -3.521 -0.500 -4.925 327 HA LEU 45 HA LEU 45 -4.808 -3.093 -4.445 328 1HB LEU 45 1HB LEU 45 -2.016 -2.098 -4.186 329 2HB LEU 45 2HB LEU 45 -2.572 -3.268 -3.006 330 HG LEU 45 HG LEU 45 -2.724 -3.706 -5.999 331 1HD1 LEU 45 1HD1 LEU 45 -0.739 -5.091 -5.804 332 2HD1 LEU 45 2HD1 LEU 45 -0.386 -3.426 -5.283 333 3HD1 LEU 45 3HD1 LEU 45 -0.612 -4.709 -4.070 334 1HD2 LEU 45 1HD2 LEU 45 -2.904 -6.118 -5.266 335 2HD2 LEU 45 2HD2 LEU 45 -3.162 -5.511 -3.613 336 3HD2 LEU 45 3HD2 LEU 45 -4.310 -5.087 -4.906 337 H TYR 46 H TYR 46 -5.361 -3.668 -2.255 338 HA TYR 46 HA TYR 46 -5.828 -1.279 -0.612 339 1HB TYR 46 1HB TYR 46 -7.667 -2.925 -1.589 340 2HB TYR 46 2HB TYR 46 -7.048 -4.095 -0.440 341 HD1 TYR 46 1HD TYR 46 -8.167 -4.276 1.580 342 HD2 TYR 46 2HD TYR 46 -8.190 -0.512 -0.453 343 HE1 TYR 46 1HE TYR 46 -9.687 -3.308 3.374 344 HE2 TYR 46 2HE TYR 46 -9.709 0.443 1.347 345 HH TYR 46 HH TYR 46 -11.523 -0.986 3.116 346 H GLY 47 H GLY 47 -5.819 -1.680 1.810 347 1HA GLY 47 1HA GLY 47 -4.544 -3.889 2.960 348 2HA GLY 47 2HA GLY 47 -3.315 -2.692 2.602 349 H GLU 48 H GLU 48 -3.300 -2.931 5.143 350 HA GLU 48 HA GLU 48 -5.214 -0.990 6.185 351 1HB GLU 48 1HB GLU 48 -5.409 -3.316 7.129 352 2HB GLU 48 2HB GLU 48 -3.763 -3.192 7.718 353 1HG GLU 48 1HG GLU 48 -4.328 -1.396 9.232 354 2HG GLU 48 2HG GLU 48 -5.880 -1.133 8.462 355 H HIS 49 H HIS 49 -4.391 0.545 7.818 356 HA HIS 49 HA HIS 49 -1.622 1.193 7.246 357 1HB HIS 49 1HB HIS 49 -3.555 2.842 7.036 358 2HB HIS 49 2HB HIS 49 -3.638 2.839 8.786 359 HD1 HIS 49 1HD HIS 49 -1.088 3.383 9.937 360 HD2 HIS 49 2HD HIS 49 -1.940 4.821 6.090 361 HE1 HIS 49 1HE HIS 49 0.556 5.285 9.504 362 H ASP 50 H ASP 50 0.016 1.225 8.790 363 HA ASP 50 HA ASP 50 -0.601 -0.266 11.155 364 1HB ASP 50 1HB ASP 50 1.502 -0.475 9.608 365 2HB ASP 50 2HB ASP 50 2.085 0.962 10.423 366 H THR 51 H THR 51 -1.916 2.217 11.224 367 HA THR 51 HA THR 51 -0.702 3.434 13.524 368 HB THR 51 HB THR 51 -1.128 5.152 11.030 369 HG1 THR 51 1HG THR 51 1.278 4.026 12.282 370 1HG2 THR 51 1HG2 THR 51 0.906 5.923 13.015 371 2HG2 THR 51 2HG2 THR 51 -0.433 6.890 12.350 372 3HG2 THR 51 3HG2 THR 51 -0.714 5.822 13.746 373 H THR 52 H THR 52 -3.037 4.553 10.989 374 HA THR 52 HA THR 52 -4.921 5.315 12.958 375 HB THR 52 HB THR 52 -6.346 5.669 10.893 376 HG1 THR 52 1HG THR 52 -5.514 4.786 8.968 377 1HG2 THR 52 1HG2 THR 52 -4.432 7.311 11.539 378 2HG2 THR 52 2HG2 THR 52 -3.467 6.487 10.290 379 3HG2 THR 52 3HG2 THR 52 -4.963 7.341 9.840 380 H LYS 53 H LYS 53 -4.159 2.267 11.413 381 HA LYS 53 HA LYS 53 -4.939 0.237 11.853 382 1HB LYS 53 1HB LYS 53 -5.960 1.741 14.066 383 2HB LYS 53 2HB LYS 53 -7.209 0.632 13.537 384 1HG LYS 53 1HG LYS 53 -5.866 -0.585 15.120 385 2HG LYS 53 2HG LYS 53 -5.452 -1.224 13.542 386 1HD LYS 53 1HD LYS 53 -3.280 -0.742 13.975 387 2HD LYS 53 2HD LYS 53 -3.687 0.961 13.909 388 1HE LYS 53 1HE LYS 53 -4.328 0.848 16.365 389 2HE LYS 53 2HE LYS 53 -3.769 -0.812 16.397 390 1HZ LYS 53 1HZ LYS 53 -1.691 0.429 15.309 391 2HZ LYS 53 2HZ LYS 53 -2.244 1.607 16.295 392 3HZ LYS 53 3HZ LYS 53 -1.845 0.148 16.910 393 H ALA 54 H ALA 54 -6.379 2.706 10.230 394 HA ALA 54 HA ALA 54 -8.761 1.184 9.496 395 1HB ALA 54 1HB ALA 54 -7.857 4.005 8.790 396 2HB ALA 54 2HB ALA 54 -9.426 3.276 8.373 397 3HB ALA 54 3HB ALA 54 -9.008 3.574 10.077 398 H ARG 55 H ARG 55 -9.260 0.989 7.120 399 HA ARG 55 HA ARG 55 -6.757 0.619 5.677 400 1HB ARG 55 1HB ARG 55 -9.366 -0.939 5.311 401 2HB ARG 55 2HB ARG 55 -7.858 -1.255 4.476 402 1HG ARG 55 1HG ARG 55 -6.922 -2.327 6.283 403 2HG ARG 55 2HG ARG 55 -7.599 -1.196 7.438 404 1HD ARG 55 1HD ARG 55 -9.850 -2.296 7.165 405 2HD ARG 55 2HD ARG 55 -9.137 -3.449 6.055 406 HE ARG 55 HE ARG 55 -7.518 -3.653 8.294 407 1HH1 ARG 55 2HH2 ARG 55 -10.990 -3.875 7.769 408 2HH1 ARG 55 1HH2 ARG 55 -11.248 -4.972 9.085 409 1HH2 ARG 55 2HH1 ARG 55 -7.857 -5.099 10.030 410 2HH2 ARG 55 1HH1 ARG 55 -9.454 -5.672 10.380 411 H GLY 56 H GLY 56 -6.636 1.459 3.551 412 1HA GLY 56 1HA GLY 56 -9.091 2.716 2.493 413 2HA GLY 56 2HA GLY 56 -7.583 3.603 2.596 414 H TRP 57 H TRP 57 -8.125 3.721 0.144 415 HA TRP 57 HA TRP 57 -7.083 1.314 -1.184 416 1HB TRP 57 1HB TRP 57 -9.094 3.382 -2.006 417 2HB TRP 57 2HB TRP 57 -8.176 2.518 -3.224 418 HD1 TRP 57 HD TRP 57 -11.171 2.098 -0.984 419 HE1 TRP 57 1HE TRP 57 -12.286 -0.282 -1.217 420 HE3 TRP 57 3HE TRP 57 -7.373 0.000 -3.634 421 HZ2 TRP 57 2HZ TRP 57 -11.472 -2.721 -2.456 422 HZ3 TRP 57 3HZ TRP 57 -7.612 -2.386 -4.316 423 HH2 TRP 57 HH TRP 57 -9.574 -3.737 -3.769 424 H PHE 58 H PHE 58 -5.195 1.524 -2.385 425 HA PHE 58 HA PHE 58 -4.241 4.221 -2.924 426 1HB PHE 58 1HB PHE 58 -2.015 3.547 -1.947 427 2HB PHE 58 2HB PHE 58 -3.272 3.494 -0.728 428 HD1 PHE 58 1HD PHE 58 -3.676 1.525 0.473 429 HD2 PHE 58 2HD PHE 58 -1.377 1.343 -3.089 430 HE1 PHE 58 1HE PHE 58 -3.086 -0.862 0.975 431 HE2 PHE 58 2HE PHE 58 -0.787 -1.045 -2.587 432 HZ PHE 58 HZ PHE 58 -1.649 -2.119 -0.560 433 HA PRO 59 HA PRO 59 -2.905 2.302 -6.570 434 1HB PRO 59 1HB PRO 59 -1.015 4.067 -7.452 435 2HB PRO 59 2HB PRO 59 -2.736 4.322 -7.662 436 1HG PRO 59 1HG PRO 59 -0.888 5.625 -5.758 437 2HG PRO 59 2HG PRO 59 -2.479 6.147 -6.275 438 1HD PRO 59 1HD PRO 59 -1.807 4.909 -3.776 439 2HD PRO 59 2HD PRO 59 -3.413 5.326 -4.342 440 H SER 60 H SER 60 -1.831 0.473 -6.935 441 HA SER 60 HA SER 60 0.078 -0.382 -5.230 442 1HB SER 60 1HB SER 60 0.614 -2.089 -6.903 443 2HB SER 60 2HB SER 60 -1.115 -1.800 -6.891 444 HG SER 60 HG SER 60 -1.006 -0.721 -8.837 445 H SER 61 H SER 61 0.356 1.933 -7.862 446 HA SER 61 HA SER 61 3.111 1.617 -8.289 447 1HB SER 61 1HB SER 61 0.949 3.268 -9.281 448 2HB SER 61 2HB SER 61 2.311 4.303 -8.900 449 HG SER 61 HG SER 61 3.605 2.568 -10.145 450 H TYR 62 H TYR 62 1.102 3.384 -5.955 451 HA TYR 62 HA TYR 62 3.295 5.043 -5.072 452 1HB TYR 62 1HB TYR 62 0.349 4.565 -4.607 453 2HB TYR 62 2HB TYR 62 1.219 5.165 -3.209 454 HD1 TYR 62 1HD TYR 62 0.622 7.399 -2.933 455 HD2 TYR 62 2HD TYR 62 1.591 5.984 -6.852 456 HE1 TYR 62 1HE TYR 62 0.439 9.767 -3.841 457 HE2 TYR 62 2HE TYR 62 1.405 8.356 -7.747 458 HH TYR 62 HH TYR 62 1.578 10.969 -5.974 459 H THR 63 H THR 63 2.963 1.840 -4.853 460 HA THR 63 HA THR 63 4.221 1.772 -2.230 461 HB THR 63 HB THR 63 2.660 -0.186 -1.632 462 HG1 THR 63 1HG THR 63 1.774 -0.578 -3.722 463 1HG2 THR 63 1HG2 THR 63 2.242 2.152 -0.723 464 2HG2 THR 63 2HG2 THR 63 1.227 2.472 -2.149 465 3HG2 THR 63 3HG2 THR 63 0.747 1.220 -0.978 466 H LYS 64 H LYS 64 5.504 -0.131 -1.864 467 HA LYS 64 HA LYS 64 5.933 -1.705 -4.297 468 1HB LYS 64 1HB LYS 64 8.173 -0.577 -2.599 469 2HB LYS 64 2HB LYS 64 8.325 -1.503 -4.078 470 1HG LYS 64 1HG LYS 64 6.640 0.572 -4.864 471 2HG LYS 64 2HG LYS 64 7.690 1.371 -3.711 472 1HD LYS 64 1HD LYS 64 9.272 1.505 -5.329 473 2HD LYS 64 2HD LYS 64 9.435 -0.238 -5.252 474 1HE LYS 64 1HE LYS 64 8.067 -0.598 -7.120 475 2HE LYS 64 2HE LYS 64 7.139 0.866 -6.862 476 1HZ LYS 64 1HZ LYS 64 9.909 1.319 -7.406 477 2HZ LYS 64 2HZ LYS 64 9.099 0.619 -8.640 478 3HZ LYS 64 3HZ LYS 64 8.590 2.048 -8.036 479 H LEU 65 H LEU 65 6.774 -3.857 -3.911 480 HA LEU 65 HA LEU 65 5.790 -4.905 -1.431 481 1HB LEU 65 1HB LEU 65 6.911 -6.064 -3.962 482 2HB LEU 65 2HB LEU 65 6.713 -7.065 -2.537 483 HG LEU 65 HG LEU 65 4.321 -5.493 -3.274 484 1HD1 LEU 65 1HD1 LEU 65 5.132 -7.806 -5.050 485 2HD1 LEU 65 2HD1 LEU 65 3.691 -6.770 -5.187 486 3HD1 LEU 65 3HD1 LEU 65 5.306 -6.094 -5.503 487 1HD2 LEU 65 1HD2 LEU 65 4.980 -7.818 -1.781 488 2HD2 LEU 65 2HD2 LEU 65 3.397 -7.027 -1.970 489 3HD2 LEU 65 3HD2 LEU 65 3.889 -8.313 -3.098 490 H LEU 66 H LEU 66 6.938 -5.458 0.368 491 HA LEU 66 HA LEU 66 9.589 -4.524 0.588 492 1HB LEU 66 1HB LEU 66 7.851 -6.217 2.382 493 2HB LEU 66 2HB LEU 66 9.456 -5.673 2.825 494 HG LEU 66 HG LEU 66 6.933 -4.082 2.496 495 1HD1 LEU 66 1HD1 LEU 66 8.135 -3.029 4.620 496 2HD1 LEU 66 2HD1 LEU 66 7.174 -4.524 4.718 497 3HD1 LEU 66 3HD1 LEU 66 8.949 -4.611 4.629 498 1HD2 LEU 66 1HD2 LEU 66 8.547 -2.035 2.768 499 2HD2 LEU 66 2HD2 LEU 66 9.719 -3.110 1.968 500 3HD2 LEU 66 3HD2 LEU 66 8.190 -2.699 1.155 501 H SER 67 H SER 67 11.361 -6.070 1.556 502 HA SER 67 HA SER 67 11.254 -8.594 0.120 503 1HB SER 67 1HB SER 67 13.296 -6.396 -0.139 504 2HB SER 67 2HB SER 67 13.868 -8.050 -0.213 505 HG SER 67 HG SER 67 12.686 -6.612 -2.170 506 H GLY 68 H GLY 68 11.033 -9.851 2.003 507 1HA GLY 68 1HA GLY 68 13.146 -9.501 4.045 508 2HA GLY 68 2HA GLY 68 11.516 -10.052 4.377 509 HA PRO 69 HA PRO 69 14.349 -13.579 3.187 510 1HB PRO 69 1HB PRO 69 15.484 -14.323 5.559 511 2HB PRO 69 2HB PRO 69 16.308 -13.333 4.372 512 1HG PRO 69 1HG PRO 69 15.094 -12.521 6.942 513 2HG PRO 69 2HG PRO 69 16.268 -11.663 5.963 514 1HD PRO 69 1HD PRO 69 13.463 -11.099 6.166 515 2HD PRO 69 2HD PRO 69 14.615 -10.318 5.101 516 H SER 70 H SER 70 13.982 -15.858 3.463 517 HA SER 70 HA SER 70 11.419 -16.162 4.776 518 1HB SER 70 1HB SER 70 11.749 -16.879 2.371 519 2HB SER 70 2HB SER 70 12.884 -18.094 2.925 520 HG SER 70 HG SER 70 11.078 -19.287 2.989 521 H SER 71 H SER 71 11.129 -17.496 6.579 522 HA SER 71 HA SER 71 13.250 -18.027 8.189 523 1HB SER 71 1HB SER 71 10.499 -19.324 8.045 524 2HB SER 71 2HB SER 71 11.627 -19.660 9.343 525 HG SER 71 HG SER 71 10.257 -17.975 10.022 526 H GLY 72 H GLY 72 11.318 -20.499 6.327 527 1HA GLY 72 1HA GLY 72 13.423 -21.834 5.157 528 2HA GLY 72 2HA GLY 72 13.249 -22.555 6.745 Start of MODEL 14 1 1H GLY 1 H GLY 1 4.736 -20.660 13.467 2 1HA GLY 1 1HA GLY 1 3.256 -21.666 11.259 3 2HA GLY 1 2HA GLY 1 3.875 -20.041 11.478 4 H SER 2 H SER 2 4.070 -22.756 9.529 5 HA SER 2 HA SER 2 6.698 -21.907 8.609 6 1HB SER 2 1HB SER 2 7.119 -24.332 7.968 7 2HB SER 2 2HB SER 2 7.123 -24.008 9.690 8 HG SER 2 HG SER 2 5.335 -25.195 9.968 9 H SER 3 H SER 3 6.930 -21.812 6.319 10 HA SER 3 HA SER 3 6.164 -21.346 4.324 11 1HB SER 3 1HB SER 3 5.446 -23.242 3.060 12 2HB SER 3 2HB SER 3 6.443 -23.889 4.348 13 HG SER 3 HG SER 3 4.117 -23.946 5.475 14 H GLY 4 H GLY 4 4.792 -19.529 4.951 15 1HA GLY 4 1HA GLY 4 2.002 -19.981 4.298 16 2HA GLY 4 2HA GLY 4 2.304 -19.461 5.943 17 H SER 5 H SER 5 1.201 -18.203 3.234 18 HA SER 5 HA SER 5 2.493 -15.668 3.753 19 1HB SER 5 1HB SER 5 2.229 -16.959 1.006 20 2HB SER 5 2HB SER 5 2.527 -15.246 1.223 21 HG SER 5 HG SER 5 4.350 -16.341 2.763 22 H SER 6 H SER 6 0.715 -14.565 4.542 23 HA SER 6 HA SER 6 -1.443 -14.170 2.721 24 1HB SER 6 1HB SER 6 -1.926 -16.294 4.203 25 2HB SER 6 2HB SER 6 -2.216 -15.138 5.488 26 HG SER 6 HG SER 6 -3.856 -15.849 3.408 27 H GLY 7 H GLY 7 -1.135 -11.941 2.728 28 1HA GLY 7 1HA GLY 7 -1.947 -9.964 3.813 29 2HA GLY 7 2HA GLY 7 -1.405 -10.607 5.350 30 H GLN 8 H GLN 8 0.155 -10.297 2.075 31 HA GLN 8 HA GLN 8 2.667 -9.859 3.058 32 1HB GLN 8 1HB GLN 8 1.340 -9.821 0.506 33 2HB GLN 8 2HB GLN 8 2.353 -8.393 0.595 34 1HG GLN 8 1HG GLN 8 3.378 -11.170 1.327 35 2HG GLN 8 2HG GLN 8 3.470 -10.536 -0.304 36 1HE2 GLN 8 1HE2 GLN 8 5.619 -11.280 1.447 37 2HE2 GLN 8 2HE2 GLN 8 6.617 -9.888 1.705 38 H LYS 9 H LYS 9 4.007 -7.782 2.851 39 HA LYS 9 HA LYS 9 2.354 -5.496 3.675 40 1HB LYS 9 1HB LYS 9 5.080 -6.349 4.692 41 2HB LYS 9 2HB LYS 9 4.316 -4.819 5.073 42 1HG LYS 9 1HG LYS 9 2.284 -6.647 5.633 43 2HG LYS 9 2HG LYS 9 3.719 -7.534 6.108 44 1HD LYS 9 1HD LYS 9 3.947 -4.789 7.041 45 2HD LYS 9 2HD LYS 9 2.399 -5.437 7.544 46 1HE LYS 9 1HE LYS 9 4.607 -7.371 7.908 47 2HE LYS 9 2HE LYS 9 4.857 -5.890 8.811 48 1HZ LYS 9 1HZ LYS 9 2.284 -7.280 8.882 49 2HZ LYS 9 2HZ LYS 9 3.502 -7.701 9.884 50 3HZ LYS 9 3HZ LYS 9 2.879 -6.193 9.945 51 H VAL 10 H VAL 10 2.881 -3.453 2.820 52 HA VAL 10 HA VAL 10 4.989 -3.486 0.781 53 HB VAL 10 HB VAL 10 3.485 -2.087 -0.622 54 1HG1 VAL 10 1HG1 VAL 10 1.948 -4.050 -1.264 55 2HG1 VAL 10 2HG1 VAL 10 3.706 -4.320 -1.325 56 3HG1 VAL 10 3HG1 VAL 10 2.757 -4.943 0.046 57 1HG2 VAL 10 1HG2 VAL 10 0.969 -2.979 0.450 58 2HG2 VAL 10 2HG2 VAL 10 1.865 -2.091 1.706 59 3HG2 VAL 10 3HG2 VAL 10 1.533 -1.321 0.135 60 H LYS 11 H LYS 11 5.909 -1.345 0.330 61 HA LYS 11 HA LYS 11 5.408 0.530 2.536 62 1HB LYS 11 1HB LYS 11 7.469 -0.236 3.169 63 2HB LYS 11 2HB LYS 11 7.954 -0.658 1.539 64 1HG LYS 11 1HG LYS 11 8.147 1.795 0.988 65 2HG LYS 11 2HG LYS 11 7.726 2.182 2.645 66 1HD LYS 11 1HD LYS 11 9.930 0.212 2.441 67 2HD LYS 11 2HD LYS 11 10.311 1.746 1.684 68 1HE LYS 11 1HE LYS 11 10.302 2.902 3.687 69 2HE LYS 11 2HE LYS 11 8.988 1.955 4.355 70 1HZ LYS 11 1HZ LYS 11 10.888 0.132 4.217 71 2HZ LYS 11 2HZ LYS 11 11.814 1.457 4.450 72 3HZ LYS 11 3HZ LYS 11 10.650 1.074 5.530 73 H THR 12 H THR 12 5.003 2.625 1.957 74 HA THR 12 HA THR 12 4.627 3.150 -0.833 75 HB THR 12 HB THR 12 3.719 5.285 0.049 76 HG1 THR 12 1HG THR 12 4.279 5.841 2.185 77 1HG2 THR 12 1HG2 THR 12 3.030 2.696 1.429 78 2HG2 THR 12 2HG2 THR 12 2.425 4.197 2.173 79 3HG2 THR 12 3HG2 THR 12 1.980 3.790 0.498 80 H ILE 13 H ILE 13 5.858 4.264 -2.259 81 HA ILE 13 HA ILE 13 8.481 5.066 -1.249 82 HB ILE 13 HB ILE 13 9.013 5.091 -3.735 83 1HG1 ILE 13 1HG1 ILE 13 6.457 3.475 -3.934 84 2HG1 ILE 13 2HG1 ILE 13 6.591 5.149 -4.437 85 1HG2 ILE 13 1HG2 ILE 13 9.840 3.361 -2.281 86 2HG2 ILE 13 2HG2 ILE 13 8.277 2.510 -2.330 87 3HG2 ILE 13 3HG2 ILE 13 9.277 2.621 -3.798 88 1HD1 ILE 13 1HD1 ILE 13 7.885 2.697 -5.632 89 2HD1 ILE 13 2HD1 ILE 13 7.047 4.040 -6.445 90 3HD1 ILE 13 3HD1 ILE 13 8.694 4.273 -5.810 91 H PHE 14 H PHE 14 5.420 6.342 -1.964 92 HA PHE 14 HA PHE 14 6.571 9.001 -2.047 93 1HB PHE 14 1HB PHE 14 4.538 7.841 -4.047 94 2HB PHE 14 2HB PHE 14 4.987 9.534 -3.983 95 HD1 PHE 14 1HD PHE 14 7.800 9.665 -3.863 96 HD2 PHE 14 2HD PHE 14 5.421 6.794 -5.889 97 HE1 PHE 14 1HE PHE 14 9.689 9.224 -5.456 98 HE2 PHE 14 2HE PHE 14 7.310 6.353 -7.482 99 HZ PHE 14 HZ PHE 14 9.421 7.574 -7.247 100 HA PRO 15 HA PRO 15 3.116 9.775 0.449 101 1HB PRO 15 1HB PRO 15 2.931 12.496 0.287 102 2HB PRO 15 2HB PRO 15 4.079 11.674 1.325 103 1HG PRO 15 1HG PRO 15 4.563 13.066 -1.238 104 2HG PRO 15 2HG PRO 15 5.717 12.620 0.004 105 1HD PRO 15 1HD PRO 15 5.299 11.296 -2.506 106 2HD PRO 15 2HD PRO 15 6.368 10.783 -1.216 107 H HIS 16 H HIS 16 0.866 10.360 0.606 108 HA HIS 16 HA HIS 16 -0.333 11.336 -1.783 109 1HB HIS 16 1HB HIS 16 0.116 8.972 -2.398 110 2HB HIS 16 2HB HIS 16 -0.842 8.446 -1.027 111 HD1 HIS 16 1HD HIS 16 -3.152 7.793 -1.680 112 HD2 HIS 16 2HD HIS 16 -1.649 10.861 -4.114 113 HE1 HIS 16 1HE HIS 16 -4.977 8.311 -3.386 114 H THR 17 H THR 17 -1.215 12.932 -0.424 115 HA THR 17 HA THR 17 -2.491 12.286 2.021 116 HB THR 17 HB THR 17 -2.686 14.742 0.198 117 HG1 THR 17 1HG THR 17 -1.024 13.927 2.479 118 1HG2 THR 17 1HG2 THR 17 -3.067 14.426 3.222 119 2HG2 THR 17 2HG2 THR 17 -3.152 15.951 2.309 120 3HG2 THR 17 3HG2 THR 17 -4.390 14.697 2.064 121 H ALA 18 H ALA 18 -4.563 11.791 2.547 122 HA ALA 18 HA ALA 18 -6.510 11.845 0.359 123 1HB ALA 18 1HB ALA 18 -5.590 9.505 2.017 124 2HB ALA 18 2HB ALA 18 -7.291 9.587 1.498 125 3HB ALA 18 3HB ALA 18 -5.989 9.581 0.284 126 H GLY 19 H GLY 19 -5.661 13.292 3.066 127 1HA GLY 19 1HA GLY 19 -7.321 13.002 5.125 128 2HA GLY 19 2HA GLY 19 -6.920 14.574 4.463 129 H ASN 20 H ASN 20 -9.483 13.225 5.665 130 HA ASN 20 HA ASN 20 -11.599 13.781 5.471 131 1HB ASN 20 1HB ASN 20 -10.549 15.558 3.612 132 2HB ASN 20 2HB ASN 20 -11.609 14.601 2.596 133 1HD2 ASN 20 1HD2 ASN 20 -11.366 17.125 4.799 134 2HD2 ASN 20 2HD2 ASN 20 -13.044 17.416 5.119 135 H ASN 21 H ASN 21 -10.588 12.988 2.052 136 HA ASN 21 HA ASN 21 -12.615 11.441 1.329 137 1HB ASN 21 1HB ASN 21 -9.668 11.410 0.716 138 2HB ASN 21 2HB ASN 21 -10.578 10.010 0.182 139 1HD2 ASN 21 1HD2 ASN 21 -10.965 10.199 -1.886 140 2HD2 ASN 21 2HD2 ASN 21 -11.575 11.591 -2.717 141 H LYS 22 H LYS 22 -13.170 9.155 1.499 142 HA LYS 22 HA LYS 22 -11.774 7.789 3.691 143 1HB LYS 22 1HB LYS 22 -13.823 6.751 4.277 144 2HB LYS 22 2HB LYS 22 -14.168 8.456 4.072 145 1HG LYS 22 1HG LYS 22 -15.636 8.043 2.387 146 2HG LYS 22 2HG LYS 22 -14.466 7.069 1.520 147 1HD LYS 22 1HD LYS 22 -15.764 5.272 2.022 148 2HD LYS 22 2HD LYS 22 -15.169 5.415 3.664 149 1HE LYS 22 1HE LYS 22 -17.622 5.380 3.702 150 2HE LYS 22 2HE LYS 22 -17.066 6.961 4.213 151 1HZ LYS 22 1HZ LYS 22 -18.636 6.293 1.990 152 2HZ LYS 22 2HZ LYS 22 -18.295 7.771 2.595 153 3HZ LYS 22 3HZ LYS 22 -17.302 7.092 1.491 154 H THR 23 H THR 23 -12.658 7.773 0.301 155 HA THR 23 HA THR 23 -12.270 4.946 -0.037 156 HB THR 23 HB THR 23 -12.781 5.452 -2.343 157 HG1 THR 23 1HG THR 23 -12.255 8.225 -1.551 158 1HG2 THR 23 1HG2 THR 23 -14.613 6.147 -0.564 159 2HG2 THR 23 2HG2 THR 23 -14.128 7.809 -0.975 160 3HG2 THR 23 3HG2 THR 23 -14.781 6.735 -2.235 161 H LEU 24 H LEU 24 -10.213 7.703 0.324 162 HA LEU 24 HA LEU 24 -8.014 6.142 -0.845 163 1HB LEU 24 1HB LEU 24 -8.271 9.139 -0.562 164 2HB LEU 24 2HB LEU 24 -6.874 8.287 -1.187 165 HG LEU 24 HG LEU 24 -9.615 8.111 -2.457 166 1HD1 LEU 24 1HD1 LEU 24 -9.355 10.246 -3.054 167 2HD1 LEU 24 2HD1 LEU 24 -7.653 10.281 -2.533 168 3HD1 LEU 24 3HD1 LEU 24 -8.079 9.656 -4.145 169 1HD2 LEU 24 1HD2 LEU 24 -8.655 6.461 -3.600 170 2HD2 LEU 24 2HD2 LEU 24 -7.649 7.705 -4.378 171 3HD2 LEU 24 3HD2 LEU 24 -7.044 6.839 -2.946 172 H LEU 25 H LEU 25 -6.123 5.859 0.384 173 HA LEU 25 HA LEU 25 -6.543 6.337 3.227 174 1HB LEU 25 1HB LEU 25 -5.844 4.101 1.968 175 2HB LEU 25 2HB LEU 25 -4.240 4.781 2.154 176 HG LEU 25 HG LEU 25 -4.557 4.906 4.592 177 1HD1 LEU 25 1HD1 LEU 25 -7.304 4.600 3.934 178 2HD1 LEU 25 2HD1 LEU 25 -6.826 3.202 4.927 179 3HD1 LEU 25 3HD1 LEU 25 -6.563 4.856 5.532 180 1HD2 LEU 25 1HD2 LEU 25 -4.511 2.440 3.020 181 2HD2 LEU 25 2HD2 LEU 25 -3.498 2.953 4.391 182 3HD2 LEU 25 3HD2 LEU 25 -5.083 2.200 4.688 183 H SER 26 H SER 26 -5.296 7.713 4.450 184 HA SER 26 HA SER 26 -3.444 9.319 2.894 185 1HB SER 26 1HB SER 26 -3.802 11.073 4.486 186 2HB SER 26 2HB SER 26 -5.383 10.395 4.153 187 HG SER 26 HG SER 26 -4.496 8.944 6.181 188 H PHE 27 H PHE 27 -1.265 9.017 3.187 189 HA PHE 27 HA PHE 27 -0.290 8.334 5.812 190 1HB PHE 27 1HB PHE 27 0.999 6.367 4.717 191 2HB PHE 27 2HB PHE 27 -0.721 6.102 4.915 192 HD1 PHE 27 1HD PHE 27 1.816 7.182 2.426 193 HD2 PHE 27 2HD PHE 27 -2.059 5.575 3.069 194 HE1 PHE 27 1HE PHE 27 1.606 6.705 -0.029 195 HE2 PHE 27 2HE PHE 27 -2.268 5.098 0.613 196 HZ PHE 27 HZ PHE 27 -0.433 5.668 -0.906 197 H ALA 28 H ALA 28 2.284 7.989 5.560 198 HA ALA 28 HA ALA 28 3.178 10.058 3.670 199 1HB ALA 28 1HB ALA 28 4.604 10.928 5.317 200 2HB ALA 28 2HB ALA 28 3.136 10.526 6.241 201 3HB ALA 28 3HB ALA 28 4.546 9.440 6.293 202 H GLN 29 H GLN 29 5.319 9.746 2.745 203 HA GLN 29 HA GLN 29 5.746 7.239 1.816 204 1HB GLN 29 1HB GLN 29 6.728 9.236 0.791 205 2HB GLN 29 2HB GLN 29 7.736 9.517 2.197 206 1HG GLN 29 1HG GLN 29 8.584 7.028 1.695 207 2HG GLN 29 2HG GLN 29 7.984 7.370 0.084 208 1HE2 GLN 29 1HE2 GLN 29 8.608 9.611 -0.756 209 2HE2 GLN 29 2HE2 GLN 29 10.263 10.083 -0.563 210 H GLY 30 H GLY 30 6.850 5.399 2.482 211 1HA GLY 30 1HA GLY 30 8.560 4.338 3.718 212 2HA GLY 30 2HA GLY 30 8.475 5.602 4.929 213 H ASP 31 H ASP 31 5.451 5.640 4.908 214 HA ASP 31 HA ASP 31 4.996 4.043 7.028 215 1HB ASP 31 1HB ASP 31 3.121 4.995 4.823 216 2HB ASP 31 2HB ASP 31 2.521 4.144 6.233 217 H VAL 32 H VAL 32 3.812 1.949 7.255 218 HA VAL 32 HA VAL 32 4.107 0.270 4.860 219 HB VAL 32 HB VAL 32 4.415 -0.363 7.799 220 1HG1 VAL 32 1HG1 VAL 32 3.987 -2.517 7.411 221 2HG1 VAL 32 2HG1 VAL 32 3.448 -2.079 5.772 222 3HG1 VAL 32 3HG1 VAL 32 5.142 -2.546 6.057 223 1HG2 VAL 32 1HG2 VAL 32 6.390 0.667 6.906 224 2HG2 VAL 32 2HG2 VAL 32 6.706 -1.079 7.050 225 3HG2 VAL 32 3HG2 VAL 32 6.345 -0.368 5.459 226 H LEU 33 H LEU 33 2.329 -0.851 4.133 227 HA LEU 33 HA LEU 33 -0.067 -0.653 5.822 228 1HB LEU 33 1HB LEU 33 -0.213 -0.659 2.832 229 2HB LEU 33 2HB LEU 33 -1.394 -0.113 4.005 230 HG LEU 33 HG LEU 33 1.207 1.357 3.848 231 1HD1 LEU 33 1HD1 LEU 33 -0.959 2.181 1.960 232 2HD1 LEU 33 2HD1 LEU 33 0.795 2.477 1.897 233 3HD1 LEU 33 3HD1 LEU 33 0.147 0.872 1.480 234 1HD2 LEU 33 1HD2 LEU 33 -0.326 2.028 5.563 235 2HD2 LEU 33 2HD2 LEU 33 -0.304 3.289 4.308 236 3HD2 LEU 33 3HD2 LEU 33 -1.665 2.145 4.396 237 H THR 34 H THR 34 -1.327 -2.506 6.020 238 HA THR 34 HA THR 34 -0.037 -4.931 5.022 239 HB THR 34 HB THR 34 -2.170 -4.375 7.149 240 HG1 THR 34 1HG THR 34 0.207 -3.794 7.404 241 1HG2 THR 34 1HG2 THR 34 -1.609 -6.832 5.805 242 2HG2 THR 34 2HG2 THR 34 -0.739 -6.912 7.356 243 3HG2 THR 34 3HG2 THR 34 -2.497 -6.629 7.334 244 H LEU 35 H LEU 35 -0.752 -6.032 3.313 245 HA LEU 35 HA LEU 35 -3.064 -5.099 1.946 246 1HB LEU 35 1HB LEU 35 -1.136 -7.373 1.514 247 2HB LEU 35 2HB LEU 35 -2.525 -7.113 0.478 248 HG LEU 35 HG LEU 35 -1.154 -4.624 0.680 249 1HD1 LEU 35 1HD1 LEU 35 0.992 -5.655 -0.545 250 2HD1 LEU 35 2HD1 LEU 35 0.930 -5.342 1.206 251 3HD1 LEU 35 3HD1 LEU 35 0.648 -6.986 0.585 252 1HD2 LEU 35 1HD2 LEU 35 -1.697 -6.642 -1.482 253 2HD2 LEU 35 2HD2 LEU 35 -2.381 -5.016 -1.248 254 3HD2 LEU 35 3HD2 LEU 35 -0.701 -5.203 -1.807 255 H LEU 36 H LEU 36 -5.030 -6.266 1.517 256 HA LEU 36 HA LEU 36 -5.568 -8.333 3.535 257 1HB LEU 36 1HB LEU 36 -7.473 -6.216 2.526 258 2HB LEU 36 2HB LEU 36 -7.842 -7.477 3.686 259 HG LEU 36 HG LEU 36 -5.850 -5.230 4.102 260 1HD1 LEU 36 1HD1 LEU 36 -8.727 -5.588 4.879 261 2HD1 LEU 36 2HD1 LEU 36 -7.630 -4.654 5.923 262 3HD1 LEU 36 3HD1 LEU 36 -7.889 -4.157 4.233 263 1HD2 LEU 36 1HD2 LEU 36 -6.106 -7.753 5.418 264 2HD2 LEU 36 2HD2 LEU 36 -5.003 -6.403 5.779 265 3HD2 LEU 36 3HD2 LEU 36 -6.609 -6.469 6.544 266 H ILE 37 H ILE 37 -6.469 -6.964 0.304 267 HA ILE 37 HA ILE 37 -7.488 -9.603 -0.419 268 HB ILE 37 HB ILE 37 -8.464 -8.459 -2.341 269 1HG1 ILE 37 1HG1 ILE 37 -7.851 -5.750 -1.292 270 2HG1 ILE 37 2HG1 ILE 37 -6.522 -6.587 -2.069 271 1HG2 ILE 37 1HG2 ILE 37 -9.160 -8.108 0.410 272 2HG2 ILE 37 2HG2 ILE 37 -9.594 -6.632 -0.486 273 3HG2 ILE 37 3HG2 ILE 37 -10.221 -8.212 -1.015 274 1HD1 ILE 37 1HD1 ILE 37 -8.606 -7.123 -3.818 275 2HD1 ILE 37 2HD1 ILE 37 -9.000 -5.482 -3.252 276 3HD1 ILE 37 3HD1 ILE 37 -7.424 -5.806 -4.013 277 HA PRO 38 HA PRO 38 -3.846 -10.363 -2.634 278 1HB PRO 38 1HB PRO 38 -4.623 -12.611 -3.981 279 2HB PRO 38 2HB PRO 38 -4.057 -12.634 -2.323 280 1HG PRO 38 1HG PRO 38 -6.819 -12.900 -3.342 281 2HG PRO 38 2HG PRO 38 -6.183 -13.338 -1.769 282 1HD PRO 38 1HD PRO 38 -7.760 -11.027 -2.400 283 2HD PRO 38 2HD PRO 38 -7.026 -11.405 -0.854 284 H GLU 39 H GLU 39 -6.781 -9.494 -4.020 285 HA GLU 39 HA GLU 39 -5.579 -9.399 -6.648 286 1HB GLU 39 1HB GLU 39 -8.156 -9.970 -5.783 287 2HB GLU 39 2HB GLU 39 -8.314 -8.308 -6.317 288 1HG GLU 39 1HG GLU 39 -8.748 -9.953 -8.159 289 2HG GLU 39 2HG GLU 39 -7.429 -8.860 -8.532 290 H GLU 40 H GLU 40 -6.398 -7.227 -7.914 291 HA GLU 40 HA GLU 40 -5.920 -4.988 -6.122 292 1HB GLU 40 1HB GLU 40 -4.440 -3.971 -7.905 293 2HB GLU 40 2HB GLU 40 -3.761 -5.384 -7.122 294 1HG GLU 40 1HG GLU 40 -4.758 -6.771 -9.067 295 2HG GLU 40 2HG GLU 40 -5.070 -5.246 -9.871 296 H LYS 41 H LYS 41 -7.111 -3.114 -6.609 297 HA LYS 41 HA LYS 41 -9.348 -3.503 -8.308 298 1HB LYS 41 1HB LYS 41 -8.670 -1.858 -6.141 299 2HB LYS 41 2HB LYS 41 -8.891 -0.751 -7.481 300 1HG LYS 41 1HG LYS 41 -10.928 -2.943 -7.180 301 2HG LYS 41 2HG LYS 41 -10.960 -1.662 -5.984 302 1HD LYS 41 1HD LYS 41 -12.247 -0.552 -7.515 303 2HD LYS 41 2HD LYS 41 -10.719 -0.174 -8.285 304 1HE LYS 41 1HE LYS 41 -10.941 -1.977 -9.867 305 2HE LYS 41 2HE LYS 41 -12.217 -2.742 -8.941 306 1HZ LYS 41 1HZ LYS 41 -12.694 -1.181 -10.978 307 2HZ LYS 41 2HZ LYS 41 -13.735 -1.307 -9.726 308 3HZ LYS 41 3HZ LYS 41 -12.712 -0.037 -9.813 309 H ASP 42 H ASP 42 -7.815 -4.084 -10.205 310 HA ASP 42 HA ASP 42 -6.992 -3.602 -12.152 311 1HB ASP 42 1HB ASP 42 -8.776 -1.195 -11.692 312 2HB ASP 42 2HB ASP 42 -7.779 -1.256 -13.132 313 H GLY 43 H GLY 43 -5.100 -3.203 -10.244 314 1HA GLY 43 1HA GLY 43 -2.962 -2.182 -10.646 315 2HA GLY 43 2HA GLY 43 -3.778 -0.683 -11.040 316 H TRP 44 H TRP 44 -5.655 -0.354 -9.021 317 HA TRP 44 HA TRP 44 -4.021 0.519 -6.893 318 1HB TRP 44 1HB TRP 44 -7.006 0.361 -7.291 319 2HB TRP 44 2HB TRP 44 -6.282 0.975 -5.817 320 HD1 TRP 44 HD TRP 44 -5.838 1.770 -9.634 321 HE1 TRP 44 1HE TRP 44 -5.620 4.373 -10.007 322 HE3 TRP 44 3HE TRP 44 -6.125 3.028 -4.716 323 HZ2 TRP 44 2HZ TRP 44 -5.593 6.616 -8.243 324 HZ3 TRP 44 3HZ TRP 44 -5.994 5.447 -4.126 325 HH2 TRP 44 HH TRP 44 -5.737 7.212 -5.797 326 H LEU 45 H LEU 45 -3.911 -0.298 -4.715 327 HA LEU 45 HA LEU 45 -4.927 -3.036 -4.426 328 1HB LEU 45 1HB LEU 45 -2.172 -1.979 -4.146 329 2HB LEU 45 2HB LEU 45 -2.703 -3.107 -2.915 330 HG LEU 45 HG LEU 45 -2.839 -3.688 -5.884 331 1HD1 LEU 45 1HD1 LEU 45 -0.752 -4.817 -4.030 332 2HD1 LEU 45 2HD1 LEU 45 -0.778 -4.769 -5.809 333 3HD1 LEU 45 3HD1 LEU 45 -0.497 -3.275 -4.883 334 1HD2 LEU 45 1HD2 LEU 45 -3.703 -5.104 -3.464 335 2HD2 LEU 45 2HD2 LEU 45 -4.178 -5.327 -5.165 336 3HD2 LEU 45 3HD2 LEU 45 -2.689 -6.084 -4.550 337 H TYR 46 H TYR 46 -5.514 -3.653 -2.255 338 HA TYR 46 HA TYR 46 -6.100 -1.296 -0.604 339 1HB TYR 46 1HB TYR 46 -7.780 -3.142 -1.673 340 2HB TYR 46 2HB TYR 46 -7.241 -4.116 -0.319 341 HD1 TYR 46 1HD TYR 46 -8.611 -4.107 1.544 342 HD2 TYR 46 2HD TYR 46 -8.430 -0.592 -0.889 343 HE1 TYR 46 1HE TYR 46 -10.333 -2.977 3.035 344 HE2 TYR 46 2HE TYR 46 -10.152 0.525 0.610 345 HH TYR 46 HH TYR 46 -11.984 -0.237 2.124 346 H GLY 47 H GLY 47 -6.061 -1.640 1.795 347 1HA GLY 47 1HA GLY 47 -4.789 -3.832 2.991 348 2HA GLY 47 2HA GLY 47 -3.567 -2.629 2.629 349 H GLU 48 H GLU 48 -3.588 -2.850 5.178 350 HA GLU 48 HA GLU 48 -5.513 -0.891 6.167 351 1HB GLU 48 1HB GLU 48 -5.816 -3.138 7.169 352 2HB GLU 48 2HB GLU 48 -4.138 -3.161 7.673 353 1HG GLU 48 1HG GLU 48 -4.574 -1.077 9.051 354 2HG GLU 48 2HG GLU 48 -6.268 -1.185 8.616 355 H HIS 49 H HIS 49 -4.734 0.873 7.389 356 HA HIS 49 HA HIS 49 -1.930 1.382 7.025 357 1HB HIS 49 1HB HIS 49 -3.836 3.035 6.643 358 2HB HIS 49 2HB HIS 49 -3.974 3.146 8.387 359 HD1 HIS 49 1HD HIS 49 -1.087 3.350 9.310 360 HD2 HIS 49 2HD HIS 49 -2.532 5.310 5.894 361 HE1 HIS 49 1HE HIS 49 0.498 5.303 8.882 362 H ASP 50 H ASP 50 -0.344 1.411 8.603 363 HA ASP 50 HA ASP 50 -1.088 0.125 11.048 364 1HB ASP 50 1HB ASP 50 1.085 -0.155 9.517 365 2HB ASP 50 2HB ASP 50 1.679 1.198 10.458 366 H THR 51 H THR 51 -2.314 2.641 10.925 367 HA THR 51 HA THR 51 -1.043 4.000 13.130 368 HB THR 51 HB THR 51 -1.430 5.342 10.402 369 HG1 THR 51 1HG THR 51 0.545 4.169 10.540 370 1HG2 THR 51 1HG2 THR 51 -1.887 7.000 12.147 371 2HG2 THR 51 2HG2 THR 51 -0.524 6.407 13.125 372 3HG2 THR 51 3HG2 THR 51 -0.216 7.251 11.589 373 H THR 52 H THR 52 -3.459 4.995 10.627 374 HA THR 52 HA THR 52 -5.290 5.764 12.671 375 HB THR 52 HB THR 52 -6.611 6.507 10.787 376 HG1 THR 52 1HG THR 52 -4.847 4.708 9.280 377 1HG2 THR 52 1HG2 THR 52 -5.067 7.990 9.987 378 2HG2 THR 52 2HG2 THR 52 -3.806 7.052 10.822 379 3HG2 THR 52 3HG2 THR 52 -4.215 6.684 9.129 380 H LYS 53 H LYS 53 -4.516 2.755 11.128 381 HA LYS 53 HA LYS 53 -5.331 0.725 11.483 382 1HB LYS 53 1HB LYS 53 -7.407 1.938 13.327 383 2HB LYS 53 2HB LYS 53 -6.907 0.260 13.251 384 1HG LYS 53 1HG LYS 53 -4.871 2.447 13.801 385 2HG LYS 53 2HG LYS 53 -5.865 1.815 15.098 386 1HD LYS 53 1HD LYS 53 -4.715 -0.353 13.474 387 2HD LYS 53 2HD LYS 53 -3.467 0.694 14.119 388 1HE LYS 53 1HE LYS 53 -4.204 0.341 16.398 389 2HE LYS 53 2HE LYS 53 -5.706 -0.395 15.876 390 1HZ LYS 53 1HZ LYS 53 -4.477 -2.222 16.277 391 2HZ LYS 53 2HZ LYS 53 -4.039 -2.016 14.718 392 3HZ LYS 53 3HZ LYS 53 -3.045 -1.525 15.917 393 H ALA 54 H ALA 54 -6.679 3.200 9.833 394 HA ALA 54 HA ALA 54 -9.086 1.742 9.055 395 1HB ALA 54 1HB ALA 54 -8.144 4.496 8.179 396 2HB ALA 54 2HB ALA 54 -9.782 3.810 8.052 397 3HB ALA 54 3HB ALA 54 -9.108 4.214 9.649 398 H ARG 55 H ARG 55 -9.480 1.175 6.832 399 HA ARG 55 HA ARG 55 -6.977 0.894 5.379 400 1HB ARG 55 1HB ARG 55 -9.576 -0.710 5.170 401 2HB ARG 55 2HB ARG 55 -8.160 -0.992 4.176 402 1HG ARG 55 1HG ARG 55 -7.184 -2.228 5.808 403 2HG ARG 55 2HG ARG 55 -7.347 -0.919 6.962 404 1HD ARG 55 1HD ARG 55 -9.976 -1.968 6.640 405 2HD ARG 55 2HD ARG 55 -8.927 -3.368 6.728 406 HE ARG 55 HE ARG 55 -8.365 -1.320 8.764 407 1HH1 ARG 55 2HH2 ARG 55 -10.189 -4.226 7.983 408 2HH1 ARG 55 1HH2 ARG 55 -10.449 -4.662 9.639 409 1HH2 ARG 55 2HH1 ARG 55 -8.708 -1.894 10.949 410 2HH2 ARG 55 1HH1 ARG 55 -9.601 -3.327 11.337 411 H GLY 56 H GLY 56 -6.829 1.663 3.230 412 1HA GLY 56 1HA GLY 56 -9.280 2.847 2.083 413 2HA GLY 56 2HA GLY 56 -7.789 3.763 2.188 414 H TRP 57 H TRP 57 -8.192 3.828 -0.263 415 HA TRP 57 HA TRP 57 -7.149 1.373 -1.501 416 1HB TRP 57 1HB TRP 57 -8.963 3.531 -2.577 417 2HB TRP 57 2HB TRP 57 -8.160 2.357 -3.601 418 HD1 TRP 57 HD TRP 57 -11.126 2.683 -1.242 419 HE1 TRP 57 1HE TRP 57 -12.599 0.494 -1.198 420 HE3 TRP 57 3HE TRP 57 -7.844 -0.207 -3.836 421 HZ2 TRP 57 2HZ TRP 57 -12.235 -2.142 -2.230 422 HZ3 TRP 57 3HZ TRP 57 -8.480 -2.577 -4.275 423 HH2 TRP 57 HH TRP 57 -10.589 -3.553 -3.518 424 H PHE 58 H PHE 58 -5.214 1.524 -2.635 425 HA PHE 58 HA PHE 58 -4.189 4.192 -3.186 426 1HB PHE 58 1HB PHE 58 -1.969 3.355 -2.176 427 2HB PHE 58 2HB PHE 58 -3.238 3.614 -0.995 428 HD1 PHE 58 1HD PHE 58 -4.138 1.799 0.267 429 HD2 PHE 58 2HD PHE 58 -1.385 1.041 -2.872 430 HE1 PHE 58 1HE PHE 58 -3.873 -0.564 1.070 431 HE2 PHE 58 2HE PHE 58 -1.120 -1.322 -2.069 432 HZ PHE 58 HZ PHE 58 -2.367 -2.097 -0.108 433 HA PRO 59 HA PRO 59 -2.762 2.181 -6.747 434 1HB PRO 59 1HB PRO 59 -0.816 3.901 -7.596 435 2HB PRO 59 2HB PRO 59 -2.524 4.176 -7.871 436 1HG PRO 59 1HG PRO 59 -0.723 5.490 -5.929 437 2HG PRO 59 2HG PRO 59 -2.287 6.025 -6.512 438 1HD PRO 59 1HD PRO 59 -1.721 4.827 -3.967 439 2HD PRO 59 2HD PRO 59 -3.300 5.255 -4.596 440 H SER 60 H SER 60 -1.750 0.295 -6.945 441 HA SER 60 HA SER 60 0.130 -0.497 -5.180 442 1HB SER 60 1HB SER 60 0.539 -2.359 -6.642 443 2HB SER 60 2HB SER 60 -1.140 -1.910 -6.868 444 HG SER 60 HG SER 60 1.097 -1.476 -8.618 445 H SER 61 H SER 61 0.474 1.661 -7.928 446 HA SER 61 HA SER 61 3.218 1.250 -8.338 447 1HB SER 61 1HB SER 61 1.143 2.727 -9.550 448 2HB SER 61 2HB SER 61 2.272 3.949 -9.000 449 HG SER 61 HG SER 61 3.138 3.426 -10.940 450 H TYR 62 H TYR 62 1.260 3.207 -6.108 451 HA TYR 62 HA TYR 62 3.494 4.842 -5.306 452 1HB TYR 62 1HB TYR 62 0.543 4.446 -4.796 453 2HB TYR 62 2HB TYR 62 1.437 5.103 -3.440 454 HD1 TYR 62 1HD TYR 62 1.757 5.715 -7.130 455 HD2 TYR 62 2HD TYR 62 0.917 7.364 -3.272 456 HE1 TYR 62 1HE TYR 62 1.605 8.040 -8.149 457 HE2 TYR 62 2HE TYR 62 0.768 9.683 -4.304 458 HH TYR 62 HH TYR 62 1.963 10.675 -6.679 459 H THR 63 H THR 63 3.098 1.662 -4.933 460 HA THR 63 HA THR 63 4.370 1.691 -2.316 461 HB THR 63 HB THR 63 2.778 -0.183 -1.596 462 HG1 THR 63 1HG THR 63 1.307 0.986 -3.849 463 1HG2 THR 63 1HG2 THR 63 1.377 2.446 -2.309 464 2HG2 THR 63 2HG2 THR 63 0.862 1.279 -1.068 465 3HG2 THR 63 3HG2 THR 63 2.366 2.206 -0.849 466 H LYS 64 H LYS 64 5.616 -0.218 -1.866 467 HA LYS 64 HA LYS 64 6.014 -1.897 -4.236 468 1HB LYS 64 1HB LYS 64 8.265 -0.770 -2.551 469 2HB LYS 64 2HB LYS 64 8.410 -1.755 -3.992 470 1HG LYS 64 1HG LYS 64 6.806 0.312 -4.909 471 2HG LYS 64 2HG LYS 64 7.806 1.148 -3.738 472 1HD LYS 64 1HD LYS 64 9.333 1.284 -5.433 473 2HD LYS 64 2HD LYS 64 9.707 -0.379 -5.026 474 1HE LYS 64 1HE LYS 64 7.931 -1.124 -6.688 475 2HE LYS 64 2HE LYS 64 7.725 0.552 -7.157 476 1HZ LYS 64 1HZ LYS 64 9.284 -0.148 -8.624 477 2HZ LYS 64 2HZ LYS 64 10.277 0.413 -7.456 478 3HZ LYS 64 3HZ LYS 64 10.004 -1.191 -7.594 479 H LEU 65 H LEU 65 6.853 -4.049 -3.757 480 HA LEU 65 HA LEU 65 5.773 -5.007 -1.281 481 1HB LEU 65 1HB LEU 65 6.981 -6.257 -3.727 482 2HB LEU 65 2HB LEU 65 6.723 -7.207 -2.278 483 HG LEU 65 HG LEU 65 4.372 -5.648 -3.162 484 1HD1 LEU 65 1HD1 LEU 65 5.426 -6.330 -5.329 485 2HD1 LEU 65 2HD1 LEU 65 5.246 -8.026 -4.819 486 3HD1 LEU 65 3HD1 LEU 65 3.805 -7.006 -5.044 487 1HD2 LEU 65 1HD2 LEU 65 3.318 -7.169 -1.935 488 2HD2 LEU 65 2HD2 LEU 65 4.024 -8.508 -2.872 489 3HD2 LEU 65 3HD2 LEU 65 4.912 -7.825 -1.488 490 H LEU 66 H LEU 66 6.849 -5.479 0.582 491 HA LEU 66 HA LEU 66 9.488 -4.554 0.877 492 1HB LEU 66 1HB LEU 66 7.707 -6.225 2.650 493 2HB LEU 66 2HB LEU 66 9.278 -5.620 3.136 494 HG LEU 66 HG LEU 66 6.730 -4.108 2.645 495 1HD1 LEU 66 1HD1 LEU 66 6.850 -4.466 4.885 496 2HD1 LEU 66 2HD1 LEU 66 8.627 -4.559 4.895 497 3HD1 LEU 66 3HD1 LEU 66 7.819 -2.976 4.801 498 1HD2 LEU 66 1HD2 LEU 66 9.515 -3.091 2.223 499 2HD2 LEU 66 2HD2 LEU 66 8.012 -2.718 1.344 500 3HD2 LEU 66 3HD2 LEU 66 8.296 -2.021 2.958 501 H SER 67 H SER 67 11.201 -6.097 1.990 502 HA SER 67 HA SER 67 11.126 -8.746 0.928 503 1HB SER 67 1HB SER 67 13.289 -6.803 0.002 504 2HB SER 67 2HB SER 67 13.255 -8.521 -0.342 505 HG SER 67 HG SER 67 11.404 -8.256 -1.631 506 H GLY 68 H GLY 68 11.302 -9.393 3.139 507 1HA GLY 68 1HA GLY 68 13.946 -9.535 4.168 508 2HA GLY 68 2HA GLY 68 13.013 -8.335 5.040 509 HA PRO 69 HA PRO 69 11.848 -12.732 6.229 510 1HB PRO 69 1HB PRO 69 13.805 -13.557 7.949 511 2HB PRO 69 2HB PRO 69 13.742 -14.042 6.266 512 1HG PRO 69 1HG PRO 69 15.532 -12.079 7.564 513 2HG PRO 69 2HG PRO 69 15.720 -12.882 6.017 514 1HD PRO 69 1HD PRO 69 14.883 -10.173 6.454 515 2HD PRO 69 2HD PRO 69 14.960 -11.011 4.917 516 H SER 70 H SER 70 10.500 -10.756 6.992 517 HA SER 70 HA SER 70 10.996 -9.925 9.604 518 1HB SER 70 1HB SER 70 9.126 -9.365 7.521 519 2HB SER 70 2HB SER 70 8.172 -9.788 8.929 520 HG SER 70 HG SER 70 10.368 -7.993 9.284 521 H SER 71 H SER 71 11.268 -11.667 11.060 522 HA SER 71 HA SER 71 9.294 -13.736 11.080 523 1HB SER 71 1HB SER 71 11.730 -13.190 12.831 524 2HB SER 71 2HB SER 71 10.692 -14.588 13.033 525 HG SER 71 HG SER 71 11.668 -14.110 10.408 526 H GLY 72 H GLY 72 7.755 -14.118 12.763 527 1HA GLY 72 1HA GLY 72 7.391 -11.842 14.621 528 2HA GLY 72 2HA GLY 72 6.076 -12.697 13.839 Start of MODEL 15 1 1H GLY 1 H GLY 1 -6.547 -16.453 16.459 2 1HA GLY 1 1HA GLY 1 -6.572 -13.947 16.269 3 2HA GLY 1 2HA GLY 1 -4.831 -14.046 16.437 4 H SER 2 H SER 2 -3.546 -14.521 14.653 5 HA SER 2 HA SER 2 -5.037 -14.867 12.188 6 1HB SER 2 1HB SER 2 -2.163 -13.973 12.689 7 2HB SER 2 2HB SER 2 -2.881 -14.136 11.099 8 HG SER 2 HG SER 2 -4.598 -12.636 12.513 9 H SER 3 H SER 3 -4.162 -16.399 10.529 10 HA SER 3 HA SER 3 -2.240 -18.295 11.432 11 1HB SER 3 1HB SER 3 -5.166 -19.069 11.108 12 2HB SER 3 2HB SER 3 -3.874 -20.248 11.006 13 HG SER 3 HG SER 3 -3.345 -19.934 13.155 14 H GLY 4 H GLY 4 -1.106 -19.023 9.643 15 1HA GLY 4 1HA GLY 4 -0.921 -19.825 7.468 16 2HA GLY 4 2HA GLY 4 -2.462 -19.103 7.049 17 H SER 5 H SER 5 0.330 -18.887 5.815 18 HA SER 5 HA SER 5 1.114 -16.212 6.343 19 1HB SER 5 1HB SER 5 2.887 -16.614 4.815 20 2HB SER 5 2HB SER 5 2.614 -18.165 5.583 21 HG SER 5 HG SER 5 1.297 -18.775 3.717 22 H SER 6 H SER 6 -0.044 -14.474 5.599 23 HA SER 6 HA SER 6 -0.585 -14.206 2.879 24 1HB SER 6 1HB SER 6 -2.455 -15.823 3.698 25 2HB SER 6 2HB SER 6 -3.122 -14.435 4.536 26 HG SER 6 HG SER 6 -3.071 -13.314 2.390 27 H GLY 7 H GLY 7 -1.378 -12.016 2.392 28 1HA GLY 7 1HA GLY 7 -2.072 -9.885 2.973 29 2HA GLY 7 2HA GLY 7 -1.848 -10.252 4.672 30 H GLN 8 H GLN 8 0.287 -10.402 1.724 31 HA GLN 8 HA GLN 8 2.627 -9.937 2.938 32 1HB GLN 8 1HB GLN 8 1.541 -9.629 0.237 33 2HB GLN 8 2HB GLN 8 2.792 -8.441 0.544 34 1HG GLN 8 1HG GLN 8 3.705 -10.587 -0.384 35 2HG GLN 8 2HG GLN 8 4.392 -10.181 1.177 36 1HE2 GLN 8 1HE2 GLN 8 4.804 -12.035 2.132 37 2HE2 GLN 8 2HE2 GLN 8 3.694 -13.339 2.389 38 H LYS 9 H LYS 9 4.044 -7.814 2.664 39 HA LYS 9 HA LYS 9 2.391 -5.570 3.600 40 1HB LYS 9 1HB LYS 9 5.140 -6.465 4.506 41 2HB LYS 9 2HB LYS 9 4.447 -4.908 4.910 42 1HG LYS 9 1HG LYS 9 2.362 -6.597 5.576 43 2HG LYS 9 2HG LYS 9 3.741 -7.618 5.930 44 1HD LYS 9 1HD LYS 9 4.348 -4.994 6.943 45 2HD LYS 9 2HD LYS 9 2.717 -5.380 7.455 46 1HE LYS 9 1HE LYS 9 4.694 -7.606 7.738 47 2HE LYS 9 2HE LYS 9 4.983 -6.220 8.770 48 1HZ LYS 9 1HZ LYS 9 2.603 -6.400 9.408 49 2HZ LYS 9 2HZ LYS 9 2.537 -7.830 8.622 50 3HZ LYS 9 3HZ LYS 9 3.535 -7.647 9.901 51 H VAL 10 H VAL 10 2.871 -3.491 2.796 52 HA VAL 10 HA VAL 10 4.885 -3.446 0.662 53 HB VAL 10 HB VAL 10 3.213 -1.859 -0.483 54 1HG1 VAL 10 1HG1 VAL 10 3.902 -4.167 -1.233 55 2HG1 VAL 10 2HG1 VAL 10 2.464 -4.797 -0.394 56 3HG1 VAL 10 3HG1 VAL 10 2.276 -3.660 -1.751 57 1HG2 VAL 10 1HG2 VAL 10 0.989 -3.424 0.671 58 2HG2 VAL 10 2HG2 VAL 10 1.723 -2.238 1.778 59 3HG2 VAL 10 3HG2 VAL 10 1.071 -1.707 0.209 60 H LYS 11 H LYS 11 5.790 -1.294 0.248 61 HA LYS 11 HA LYS 11 5.368 0.523 2.517 62 1HB LYS 11 1HB LYS 11 7.431 -0.455 3.025 63 2HB LYS 11 2HB LYS 11 7.934 -0.531 1.348 64 1HG LYS 11 1HG LYS 11 8.043 1.978 1.279 65 2HG LYS 11 2HG LYS 11 7.575 2.036 2.967 66 1HD LYS 11 1HD LYS 11 9.865 0.224 2.466 67 2HD LYS 11 2HD LYS 11 10.194 1.883 2.010 68 1HE LYS 11 1HE LYS 11 10.097 2.654 4.188 69 2HE LYS 11 2HE LYS 11 8.813 1.550 4.639 70 1HZ LYS 11 1HZ LYS 11 10.285 0.065 5.325 71 2HZ LYS 11 2HZ LYS 11 11.251 0.224 4.017 72 3HZ LYS 11 3HZ LYS 11 11.400 1.258 5.273 73 H THR 12 H THR 12 4.928 2.614 1.978 74 HA THR 12 HA THR 12 4.592 3.205 -0.811 75 HB THR 12 HB THR 12 3.560 5.252 0.086 76 HG1 THR 12 1HG THR 12 3.953 5.703 2.362 77 1HG2 THR 12 1HG2 THR 12 1.829 3.862 0.683 78 2HG2 THR 12 2HG2 THR 12 2.943 2.610 1.283 79 3HG2 THR 12 3HG2 THR 12 2.487 3.973 2.333 80 H ILE 13 H ILE 13 5.944 4.191 -2.182 81 HA ILE 13 HA ILE 13 8.462 5.127 -1.051 82 HB ILE 13 HB ILE 13 9.275 5.018 -3.346 83 1HG1 ILE 13 1HG1 ILE 13 6.468 4.102 -4.036 84 2HG1 ILE 13 2HG1 ILE 13 7.227 5.599 -4.539 85 1HG2 ILE 13 1HG2 ILE 13 8.054 2.363 -3.209 86 2HG2 ILE 13 2HG2 ILE 13 9.761 2.855 -3.091 87 3HG2 ILE 13 3HG2 ILE 13 8.716 2.915 -1.651 88 1HD1 ILE 13 1HD1 ILE 13 7.407 3.999 -6.366 89 2HD1 ILE 13 2HD1 ILE 13 9.033 4.244 -5.685 90 3HD1 ILE 13 3HD1 ILE 13 8.112 2.775 -5.282 91 H PHE 14 H PHE 14 5.405 6.315 -1.924 92 HA PHE 14 HA PHE 14 6.505 9.003 -2.014 93 1HB PHE 14 1HB PHE 14 4.492 7.775 -3.994 94 2HB PHE 14 2HB PHE 14 4.940 9.469 -3.972 95 HD1 PHE 14 1HD PHE 14 7.851 9.359 -3.653 96 HD2 PHE 14 2HD PHE 14 5.284 6.929 -6.000 97 HE1 PHE 14 1HE PHE 14 9.745 8.880 -5.229 98 HE2 PHE 14 2HE PHE 14 7.178 6.450 -7.576 99 HZ PHE 14 HZ PHE 14 9.386 7.431 -7.172 100 HA PRO 15 HA PRO 15 3.030 9.730 0.469 101 1HB PRO 15 1HB PRO 15 2.841 12.452 0.321 102 2HB PRO 15 2HB PRO 15 3.978 11.626 1.367 103 1HG PRO 15 1HG PRO 15 4.489 13.035 -1.181 104 2HG PRO 15 2HG PRO 15 5.629 12.584 0.072 105 1HD PRO 15 1HD PRO 15 5.244 11.274 -2.451 106 2HD PRO 15 2HD PRO 15 6.299 10.756 -1.151 107 H HIS 16 H HIS 16 0.786 10.041 0.556 108 HA HIS 16 HA HIS 16 -0.436 11.188 -1.750 109 1HB HIS 16 1HB HIS 16 0.184 8.909 -2.555 110 2HB HIS 16 2HB HIS 16 -0.801 8.216 -1.282 111 HD1 HIS 16 1HD HIS 16 -3.307 8.028 -1.693 112 HD2 HIS 16 2HD HIS 16 -1.340 10.357 -4.574 113 HE1 HIS 16 1HE HIS 16 -5.014 8.478 -3.535 114 H THR 17 H THR 17 -1.319 12.586 -0.138 115 HA THR 17 HA THR 17 -2.796 11.443 2.049 116 HB THR 17 HB THR 17 -2.484 14.296 0.975 117 HG1 THR 17 1HG THR 17 -1.368 12.858 3.272 118 1HG2 THR 17 1HG2 THR 17 -4.384 14.349 2.462 119 2HG2 THR 17 2HG2 THR 17 -3.655 13.142 3.548 120 3HG2 THR 17 3HG2 THR 17 -2.990 14.791 3.476 121 H ALA 18 H ALA 18 -5.033 11.441 2.388 122 HA ALA 18 HA ALA 18 -6.521 11.295 -0.098 123 1HB ALA 18 1HB ALA 18 -6.748 9.446 1.447 124 2HB ALA 18 2HB ALA 18 -7.143 10.549 2.786 125 3HB ALA 18 3HB ALA 18 -8.284 10.346 1.435 126 H GLY 19 H GLY 19 -6.675 12.972 3.118 127 1HA GLY 19 1HA GLY 19 -7.373 15.080 3.584 128 2HA GLY 19 2HA GLY 19 -7.665 15.367 1.880 129 H ASN 20 H ASN 20 -9.770 15.874 1.483 130 HA ASN 20 HA ASN 20 -11.788 15.481 3.274 131 1HB ASN 20 1HB ASN 20 -11.478 16.594 0.672 132 2HB ASN 20 2HB ASN 20 -12.766 15.419 0.501 133 1HD2 ASN 20 1HD2 ASN 20 -12.585 18.441 0.602 134 2HD2 ASN 20 2HD2 ASN 20 -13.802 18.938 1.731 135 H ASN 21 H ASN 21 -10.947 13.629 0.251 136 HA ASN 21 HA ASN 21 -12.969 11.803 0.375 137 1HB ASN 21 1HB ASN 21 -10.101 11.604 -0.659 138 2HB ASN 21 2HB ASN 21 -11.235 10.283 -0.862 139 1HD2 ASN 21 1HD2 ASN 21 -11.253 10.433 -3.071 140 2HD2 ASN 21 2HD2 ASN 21 -12.030 11.709 -3.947 141 H LYS 22 H LYS 22 -13.328 9.957 1.662 142 HA LYS 22 HA LYS 22 -11.318 9.421 3.705 143 1HB LYS 22 1HB LYS 22 -13.139 8.238 4.857 144 2HB LYS 22 2HB LYS 22 -13.551 9.905 4.507 145 1HG LYS 22 1HG LYS 22 -15.297 9.299 3.176 146 2HG LYS 22 2HG LYS 22 -14.320 8.151 2.283 147 1HD LYS 22 1HD LYS 22 -15.868 6.723 3.309 148 2HD LYS 22 2HD LYS 22 -14.538 6.651 4.448 149 1HE LYS 22 1HE LYS 22 -16.073 8.911 5.241 150 2HE LYS 22 2HE LYS 22 -17.250 7.675 4.847 151 1HZ LYS 22 1HZ LYS 22 -15.406 6.313 6.226 152 2HZ LYS 22 2HZ LYS 22 -15.377 7.756 6.990 153 3HZ LYS 22 3HZ LYS 22 -16.778 6.926 6.864 154 H THR 23 H THR 23 -12.802 8.106 0.785 155 HA THR 23 HA THR 23 -12.289 5.404 1.154 156 HB THR 23 HB THR 23 -12.540 5.321 -1.284 157 HG1 THR 23 1HG THR 23 -12.043 8.202 -1.001 158 1HG2 THR 23 1HG2 THR 23 -14.119 7.765 -1.148 159 2HG2 THR 23 2HG2 THR 23 -14.693 6.081 -1.213 160 3HG2 THR 23 3HG2 THR 23 -14.333 6.838 0.357 161 H LEU 24 H LEU 24 -10.149 7.950 -0.281 162 HA LEU 24 HA LEU 24 -8.024 6.151 -0.697 163 1HB LEU 24 1HB LEU 24 -7.863 9.145 -0.367 164 2HB LEU 24 2HB LEU 24 -6.731 8.098 -1.200 165 HG LEU 24 HG LEU 24 -9.599 8.415 -2.100 166 1HD1 LEU 24 1HD1 LEU 24 -9.174 10.305 -3.254 167 2HD1 LEU 24 2HD1 LEU 24 -7.932 10.537 -2.000 168 3HD1 LEU 24 3HD1 LEU 24 -7.482 9.859 -3.583 169 1HD2 LEU 24 1HD2 LEU 24 -8.658 7.656 -4.275 170 2HD2 LEU 24 2HD2 LEU 24 -7.101 7.375 -3.459 171 3HD2 LEU 24 3HD2 LEU 24 -8.539 6.445 -2.976 172 H LEU 25 H LEU 25 -6.172 5.698 0.533 173 HA LEU 25 HA LEU 25 -6.557 6.149 3.372 174 1HB LEU 25 1HB LEU 25 -5.982 3.922 2.187 175 2HB LEU 25 2HB LEU 25 -4.350 4.556 2.102 176 HG LEU 25 HG LEU 25 -4.439 4.854 4.619 177 1HD1 LEU 25 1HD1 LEU 25 -6.423 2.828 5.103 178 2HD1 LEU 25 2HD1 LEU 25 -6.295 4.473 5.770 179 3HD1 LEU 25 3HD1 LEU 25 -7.154 4.199 4.234 180 1HD2 LEU 25 1HD2 LEU 25 -3.111 3.086 4.262 181 2HD2 LEU 25 2HD2 LEU 25 -4.507 2.128 4.814 182 3HD2 LEU 25 3HD2 LEU 25 -4.220 2.362 3.072 183 H SER 26 H SER 26 -5.392 7.561 4.602 184 HA SER 26 HA SER 26 -3.528 9.204 3.133 185 1HB SER 26 1HB SER 26 -3.860 10.851 4.811 186 2HB SER 26 2HB SER 26 -5.441 10.128 4.589 187 HG SER 26 HG SER 26 -3.547 9.498 6.690 188 H PHE 27 H PHE 27 -1.335 8.909 3.325 189 HA PHE 27 HA PHE 27 -0.229 8.091 5.842 190 1HB PHE 27 1HB PHE 27 0.872 6.072 4.782 191 2HB PHE 27 2HB PHE 27 -0.873 5.916 4.797 192 HD1 PHE 27 1HD PHE 27 -1.949 5.310 2.843 193 HD2 PHE 27 2HD PHE 27 1.871 7.139 2.582 194 HE1 PHE 27 1HE PHE 27 -1.937 4.931 0.362 195 HE2 PHE 27 2HE PHE 27 1.883 6.760 0.101 196 HZ PHE 27 HZ PHE 27 -0.021 5.660 -0.980 197 H ALA 28 H ALA 28 2.240 8.008 5.698 198 HA ALA 28 HA ALA 28 3.079 10.051 3.776 199 1HB ALA 28 1HB ALA 28 3.283 10.257 6.371 200 2HB ALA 28 2HB ALA 28 4.646 9.126 6.190 201 3HB ALA 28 3HB ALA 28 4.682 10.702 5.364 202 H GLN 29 H GLN 29 5.482 9.792 3.073 203 HA GLN 29 HA GLN 29 5.631 7.305 1.766 204 1HB GLN 29 1HB GLN 29 6.465 9.263 0.632 205 2HB GLN 29 2HB GLN 29 7.519 9.682 1.968 206 1HG GLN 29 1HG GLN 29 8.831 7.575 1.577 207 2HG GLN 29 2HG GLN 29 7.790 7.189 0.221 208 1HE2 GLN 29 1HE2 GLN 29 10.270 7.263 -0.440 209 2HE2 GLN 29 2HE2 GLN 29 10.751 8.707 -1.266 210 H GLY 30 H GLY 30 6.320 5.416 2.664 211 1HA GLY 30 1HA GLY 30 8.395 4.383 3.536 212 2HA GLY 30 2HA GLY 30 8.359 5.594 4.802 213 H ASP 31 H ASP 31 5.311 5.516 4.916 214 HA ASP 31 HA ASP 31 5.048 3.829 7.016 215 1HB ASP 31 1HB ASP 31 3.034 4.867 4.986 216 2HB ASP 31 2HB ASP 31 2.518 3.882 6.339 217 H VAL 32 H VAL 32 3.906 1.702 7.216 218 HA VAL 32 HA VAL 32 4.076 0.141 4.731 219 HB VAL 32 HB VAL 32 4.722 -0.549 7.594 220 1HG1 VAL 32 1HG1 VAL 32 3.882 -2.334 5.353 221 2HG1 VAL 32 2HG1 VAL 32 5.241 -2.870 6.369 222 3HG1 VAL 32 3HG1 VAL 32 3.662 -2.515 7.110 223 1HG2 VAL 32 1HG2 VAL 32 6.907 -0.903 6.869 224 2HG2 VAL 32 2HG2 VAL 32 6.420 -1.109 5.169 225 3HG2 VAL 32 3HG2 VAL 32 6.403 0.509 5.910 226 H LEU 33 H LEU 33 2.278 -1.006 4.099 227 HA LEU 33 HA LEU 33 0.026 -0.962 5.986 228 1HB LEU 33 1HB LEU 33 -0.484 -0.910 3.060 229 2HB LEU 33 2HB LEU 33 -1.434 -0.268 4.385 230 HG LEU 33 HG LEU 33 1.198 1.007 3.694 231 1HD1 LEU 33 1HD1 LEU 33 0.055 2.511 2.119 232 2HD1 LEU 33 2HD1 LEU 33 0.062 0.823 1.553 233 3HD1 LEU 33 3HD1 LEU 33 -1.418 1.522 2.253 234 1HD2 LEU 33 1HD2 LEU 33 -1.346 1.854 5.063 235 2HD2 LEU 33 2HD2 LEU 33 0.330 1.898 5.662 236 3HD2 LEU 33 3HD2 LEU 33 -0.200 3.052 4.414 237 H THR 34 H THR 34 -1.259 -2.839 6.093 238 HA THR 34 HA THR 34 0.066 -5.192 4.971 239 HB THR 34 HB THR 34 -1.979 -4.726 7.200 240 HG1 THR 34 1HG THR 34 0.791 -5.656 6.911 241 1HG2 THR 34 1HG2 THR 34 -1.137 -7.217 5.779 242 2HG2 THR 34 2HG2 THR 34 -0.964 -7.270 7.550 243 3HG2 THR 34 3HG2 THR 34 -2.552 -6.934 6.820 244 H LEU 35 H LEU 35 -0.670 -6.246 3.241 245 HA LEU 35 HA LEU 35 -2.991 -5.299 1.926 246 1HB LEU 35 1HB LEU 35 -1.084 -7.581 1.466 247 2HB LEU 35 2HB LEU 35 -2.498 -7.342 0.459 248 HG LEU 35 HG LEU 35 -1.119 -4.844 0.621 249 1HD1 LEU 35 1HD1 LEU 35 0.939 -6.029 -0.735 250 2HD1 LEU 35 2HD1 LEU 35 1.003 -5.475 0.956 251 3HD1 LEU 35 3HD1 LEU 35 0.662 -7.183 0.591 252 1HD2 LEU 35 1HD2 LEU 35 -0.748 -5.481 -1.894 253 2HD2 LEU 35 2HD2 LEU 35 -1.828 -6.840 -1.500 254 3HD2 LEU 35 3HD2 LEU 35 -2.386 -5.165 -1.272 255 H LEU 36 H LEU 36 -5.022 -6.309 1.621 256 HA LEU 36 HA LEU 36 -5.576 -8.384 3.627 257 1HB LEU 36 1HB LEU 36 -7.419 -6.254 2.532 258 2HB LEU 36 2HB LEU 36 -7.861 -7.500 3.682 259 HG LEU 36 HG LEU 36 -5.869 -5.263 4.145 260 1HD1 LEU 36 1HD1 LEU 36 -7.525 -4.450 5.780 261 2HD1 LEU 36 2HD1 LEU 36 -8.158 -4.460 4.117 262 3HD1 LEU 36 3HD1 LEU 36 -8.647 -5.731 5.263 263 1HD2 LEU 36 1HD2 LEU 36 -4.979 -6.519 5.744 264 2HD2 LEU 36 2HD2 LEU 36 -6.544 -6.462 6.590 265 3HD2 LEU 36 3HD2 LEU 36 -6.181 -7.805 5.481 266 H ILE 37 H ILE 37 -6.126 -7.192 0.281 267 HA ILE 37 HA ILE 37 -7.285 -9.810 -0.348 268 HB ILE 37 HB ILE 37 -8.143 -8.721 -2.366 269 1HG1 ILE 37 1HG1 ILE 37 -7.606 -5.982 -1.394 270 2HG1 ILE 37 2HG1 ILE 37 -6.197 -6.837 -1.989 271 1HG2 ILE 37 1HG2 ILE 37 -9.980 -8.340 -1.186 272 2HG2 ILE 37 2HG2 ILE 37 -9.008 -8.373 0.304 273 3HG2 ILE 37 3HG2 ILE 37 -9.292 -6.831 -0.539 274 1HD1 ILE 37 1HD1 ILE 37 -7.729 -7.487 -4.026 275 2HD1 ILE 37 2HD1 ILE 37 -8.750 -6.141 -3.466 276 3HD1 ILE 37 3HD1 ILE 37 -7.062 -5.839 -3.944 277 HA PRO 38 HA PRO 38 -3.596 -10.751 -2.407 278 1HB PRO 38 1HB PRO 38 -4.397 -12.995 -3.745 279 2HB PRO 38 2HB PRO 38 -3.907 -13.006 -2.062 280 1HG PRO 38 1HG PRO 38 -6.629 -13.190 -3.201 281 2HG PRO 38 2HG PRO 38 -6.080 -13.618 -1.592 282 1HD PRO 38 1HD PRO 38 -7.539 -11.263 -2.338 283 2HD PRO 38 2HD PRO 38 -6.890 -11.637 -0.753 284 H GLU 39 H GLU 39 -6.401 -9.733 -3.913 285 HA GLU 39 HA GLU 39 -5.031 -9.695 -6.475 286 1HB GLU 39 1HB GLU 39 -7.773 -10.100 -5.670 287 2HB GLU 39 2HB GLU 39 -7.707 -8.663 -6.671 288 1HG GLU 39 1HG GLU 39 -6.348 -11.270 -7.480 289 2HG GLU 39 2HG GLU 39 -8.013 -10.917 -7.897 290 H GLU 40 H GLU 40 -5.696 -7.574 -7.825 291 HA GLU 40 HA GLU 40 -5.501 -5.307 -6.008 292 1HB GLU 40 1HB GLU 40 -3.844 -4.252 -7.514 293 2HB GLU 40 2HB GLU 40 -3.243 -5.769 -6.876 294 1HG GLU 40 1HG GLU 40 -4.705 -5.736 -9.532 295 2HG GLU 40 2HG GLU 40 -3.022 -5.251 -9.463 296 H LYS 41 H LYS 41 -6.661 -3.446 -6.644 297 HA LYS 41 HA LYS 41 -8.791 -3.892 -8.423 298 1HB LYS 41 1HB LYS 41 -7.953 -1.897 -6.506 299 2HB LYS 41 2HB LYS 41 -8.521 -1.117 -7.968 300 1HG LYS 41 1HG LYS 41 -10.207 -3.407 -7.099 301 2HG LYS 41 2HG LYS 41 -10.151 -2.092 -5.942 302 1HD LYS 41 1HD LYS 41 -10.913 -0.483 -7.610 303 2HD LYS 41 2HD LYS 41 -10.728 -1.650 -8.905 304 1HE LYS 41 1HE LYS 41 -12.748 -2.634 -8.469 305 2HE LYS 41 2HE LYS 41 -12.471 -2.651 -6.739 306 1HZ LYS 41 1HZ LYS 41 -12.830 -0.089 -7.096 307 2HZ LYS 41 2HZ LYS 41 -13.718 -0.617 -8.361 308 3HZ LYS 41 3HZ LYS 41 -14.081 -1.109 -6.847 309 H ASP 42 H ASP 42 -8.953 -1.402 -9.841 310 HA ASP 42 HA ASP 42 -7.500 -2.154 -12.108 311 1HB ASP 42 1HB ASP 42 -9.300 0.119 -11.306 312 2HB ASP 42 2HB ASP 42 -8.282 0.380 -12.708 313 H GLY 43 H GLY 43 -5.343 -2.072 -10.707 314 1HA GLY 43 1HA GLY 43 -3.267 -1.080 -10.886 315 2HA GLY 43 2HA GLY 43 -4.008 0.442 -11.339 316 H TRP 44 H TRP 44 -5.748 -0.855 -8.716 317 HA TRP 44 HA TRP 44 -4.122 0.711 -6.829 318 1HB TRP 44 1HB TRP 44 -7.121 0.419 -7.034 319 2HB TRP 44 2HB TRP 44 -6.305 1.081 -5.631 320 HD1 TRP 44 HD TRP 44 -6.087 1.865 -9.471 321 HE1 TRP 44 1HE TRP 44 -6.089 4.474 -9.872 322 HE3 TRP 44 3HE TRP 44 -6.361 3.149 -4.559 323 HZ2 TRP 44 2HZ TRP 44 -6.203 6.730 -8.129 324 HZ3 TRP 44 3HZ TRP 44 -6.413 5.576 -3.994 325 HH2 TRP 44 HH TRP 44 -6.339 7.339 -5.685 326 H LEU 45 H LEU 45 -4.213 -0.127 -4.559 327 HA LEU 45 HA LEU 45 -4.975 -2.948 -4.426 328 1HB LEU 45 1HB LEU 45 -2.281 -1.844 -4.354 329 2HB LEU 45 2HB LEU 45 -2.658 -2.759 -2.908 330 HG LEU 45 HG LEU 45 -2.927 -3.802 -5.742 331 1HD1 LEU 45 1HD1 LEU 45 -0.850 -4.668 -3.737 332 2HD1 LEU 45 2HD1 LEU 45 -0.895 -4.929 -5.497 333 3HD1 LEU 45 3HD1 LEU 45 -0.571 -3.304 -4.847 334 1HD2 LEU 45 1HD2 LEU 45 -2.866 -5.603 -3.369 335 2HD2 LEU 45 2HD2 LEU 45 -4.366 -4.699 -3.689 336 3HD2 LEU 45 3HD2 LEU 45 -3.697 -5.783 -4.933 337 H TYR 46 H TYR 46 -5.516 -3.680 -2.283 338 HA TYR 46 HA TYR 46 -6.173 -1.427 -0.518 339 1HB TYR 46 1HB TYR 46 -7.798 -3.277 -1.664 340 2HB TYR 46 2HB TYR 46 -7.216 -4.293 -0.360 341 HD1 TYR 46 1HD TYR 46 -8.555 -0.803 -0.783 342 HD2 TYR 46 2HD TYR 46 -8.545 -4.401 1.532 343 HE1 TYR 46 1HE TYR 46 -10.302 0.187 0.776 344 HE2 TYR 46 2HE TYR 46 -10.292 -3.399 3.083 345 HH TYR 46 HH TYR 46 -12.189 -1.447 2.634 346 H GLY 47 H GLY 47 -5.979 -1.760 1.825 347 1HA GLY 47 1HA GLY 47 -4.733 -3.986 2.979 348 2HA GLY 47 2HA GLY 47 -3.484 -2.830 2.559 349 H GLU 48 H GLU 48 -3.553 -3.181 5.164 350 HA GLU 48 HA GLU 48 -5.344 -1.139 6.215 351 1HB GLU 48 1HB GLU 48 -5.576 -3.372 7.253 352 2HB GLU 48 2HB GLU 48 -3.868 -3.395 7.643 353 1HG GLU 48 1HG GLU 48 -4.191 -1.333 9.059 354 2HG GLU 48 2HG GLU 48 -5.907 -1.385 8.709 355 H HIS 49 H HIS 49 -4.475 0.464 7.726 356 HA HIS 49 HA HIS 49 -1.737 1.108 7.046 357 1HB HIS 49 1HB HIS 49 -3.643 2.757 6.890 358 2HB HIS 49 2HB HIS 49 -3.737 2.730 8.640 359 HD1 HIS 49 1HD HIS 49 -0.811 2.913 9.481 360 HD2 HIS 49 2HD HIS 49 -2.431 5.134 6.313 361 HE1 HIS 49 1HE HIS 49 0.712 4.937 9.175 362 H ASP 50 H ASP 50 -0.050 1.358 8.572 363 HA ASP 50 HA ASP 50 -0.454 -0.250 10.905 364 1HB ASP 50 1HB ASP 50 1.625 -0.154 9.283 365 2HB ASP 50 2HB ASP 50 2.084 1.264 10.204 366 H THR 51 H THR 51 -2.015 2.075 11.089 367 HA THR 51 HA THR 51 -0.900 3.331 13.407 368 HB THR 51 HB THR 51 -1.128 4.811 10.747 369 HG1 THR 51 1HG THR 51 1.016 4.350 11.127 370 1HG2 THR 51 1HG2 THR 51 -0.330 6.734 12.489 371 2HG2 THR 51 2HG2 THR 51 -2.043 6.515 12.057 372 3HG2 THR 51 3HG2 THR 51 -1.411 5.824 13.571 373 H THR 52 H THR 52 -3.177 4.973 11.237 374 HA THR 52 HA THR 52 -5.135 5.266 13.128 375 HB THR 52 HB THR 52 -5.274 6.596 11.162 376 HG1 THR 52 1HG THR 52 -7.378 5.940 10.411 377 1HG2 THR 52 1HG2 THR 52 -4.031 5.488 9.465 378 2HG2 THR 52 2HG2 THR 52 -4.891 3.949 9.716 379 3HG2 THR 52 3HG2 THR 52 -5.706 5.301 8.893 380 H LYS 53 H LYS 53 -4.267 2.377 11.342 381 HA LYS 53 HA LYS 53 -4.952 0.286 11.638 382 1HB LYS 53 1HB LYS 53 -5.981 1.567 13.979 383 2HB LYS 53 2HB LYS 53 -7.210 0.470 13.383 384 1HG LYS 53 1HG LYS 53 -5.804 -0.832 14.839 385 2HG LYS 53 2HG LYS 53 -5.407 -1.331 13.207 386 1HD LYS 53 1HD LYS 53 -3.239 -0.821 13.628 387 2HD LYS 53 2HD LYS 53 -3.693 0.869 13.724 388 1HE LYS 53 1HE LYS 53 -4.277 0.516 16.173 389 2HE LYS 53 2HE LYS 53 -3.666 -1.121 16.043 390 1HZ LYS 53 1HZ LYS 53 -2.174 1.378 15.785 391 2HZ LYS 53 2HZ LYS 53 -1.888 0.120 16.786 392 3HZ LYS 53 3HZ LYS 53 -1.573 -0.019 15.189 393 H ALA 54 H ALA 54 -6.425 2.747 10.126 394 HA ALA 54 HA ALA 54 -8.825 1.258 9.386 395 1HB ALA 54 1HB ALA 54 -9.021 3.572 8.022 396 2HB ALA 54 2HB ALA 54 -9.507 3.424 9.728 397 3HB ALA 54 3HB ALA 54 -7.917 4.106 9.312 398 H ARG 55 H ARG 55 -9.298 0.812 7.130 399 HA ARG 55 HA ARG 55 -6.835 0.623 5.593 400 1HB ARG 55 1HB ARG 55 -9.369 -1.065 5.292 401 2HB ARG 55 2HB ARG 55 -7.849 -1.329 4.461 402 1HG ARG 55 1HG ARG 55 -7.054 -2.540 6.204 403 2HG ARG 55 2HG ARG 55 -7.312 -1.198 7.301 404 1HD ARG 55 1HD ARG 55 -9.908 -2.114 6.936 405 2HD ARG 55 2HD ARG 55 -8.996 -3.607 6.834 406 HE ARG 55 HE ARG 55 -8.121 -1.977 9.079 407 1HH1 ARG 55 2HH2 ARG 55 -10.606 -4.237 8.032 408 2HH1 ARG 55 1HH2 ARG 55 -10.983 -4.764 9.638 409 1HH2 ARG 55 2HH1 ARG 55 -8.617 -2.673 11.198 410 2HH2 ARG 55 1HH1 ARG 55 -9.844 -3.869 11.451 411 H GLY 56 H GLY 56 -6.809 1.451 3.461 412 1HA GLY 56 1HA GLY 56 -9.353 2.548 2.440 413 2HA GLY 56 2HA GLY 56 -7.904 3.530 2.512 414 H TRP 57 H TRP 57 -8.324 3.669 0.095 415 HA TRP 57 HA TRP 57 -7.287 1.274 -1.259 416 1HB TRP 57 1HB TRP 57 -9.161 3.445 -2.194 417 2HB TRP 57 2HB TRP 57 -8.350 2.352 -3.299 418 HD1 TRP 57 HD TRP 57 -11.238 2.442 -0.806 419 HE1 TRP 57 1HE TRP 57 -12.667 0.225 -0.881 420 HE3 TRP 57 3HE TRP 57 -8.023 -0.152 -3.770 421 HZ2 TRP 57 2HZ TRP 57 -12.301 -2.308 -2.143 422 HZ3 TRP 57 3HZ TRP 57 -8.634 -2.492 -4.377 423 HH2 TRP 57 HH TRP 57 -10.689 -3.572 -3.614 424 H PHE 58 H PHE 58 -5.375 1.486 -2.419 425 HA PHE 58 HA PHE 58 -4.390 4.183 -2.901 426 1HB PHE 58 1HB PHE 58 -2.188 3.480 -1.891 427 2HB PHE 58 2HB PHE 58 -3.470 3.418 -0.697 428 HD1 PHE 58 1HD PHE 58 -1.588 1.271 -3.081 429 HD2 PHE 58 2HD PHE 58 -3.864 1.452 0.496 430 HE1 PHE 58 1HE PHE 58 -1.024 -1.127 -2.601 431 HE2 PHE 58 2HE PHE 58 -3.300 -0.946 0.976 432 HZ PHE 58 HZ PHE 58 -1.886 -2.207 -0.578 433 HA PRO 59 HA PRO 59 -2.978 2.310 -6.542 434 1HB PRO 59 1HB PRO 59 -1.016 4.041 -7.331 435 2HB PRO 59 2HB PRO 59 -2.723 4.347 -7.585 436 1HG PRO 59 1HG PRO 59 -0.897 5.560 -5.601 437 2HG PRO 59 2HG PRO 59 -2.457 6.136 -6.152 438 1HD PRO 59 1HD PRO 59 -1.892 4.828 -3.662 439 2HD PRO 59 2HD PRO 59 -3.469 5.300 -4.264 440 H SER 60 H SER 60 -2.029 0.392 -6.736 441 HA SER 60 HA SER 60 -0.110 -0.446 -5.038 442 1HB SER 60 1HB SER 60 0.199 -2.312 -6.504 443 2HB SER 60 2HB SER 60 -1.466 -1.808 -6.717 444 HG SER 60 HG SER 60 -1.022 -1.607 -8.793 445 H SER 61 H SER 61 0.192 1.735 -7.768 446 HA SER 61 HA SER 61 2.913 1.271 -8.272 447 1HB SER 61 1HB SER 61 0.802 3.097 -9.178 448 2HB SER 61 2HB SER 61 2.338 3.927 -9.028 449 HG SER 61 HG SER 61 1.586 2.445 -11.064 450 H TYR 62 H TYR 62 1.070 3.211 -5.942 451 HA TYR 62 HA TYR 62 3.360 4.805 -5.201 452 1HB TYR 62 1HB TYR 62 0.418 4.463 -4.600 453 2HB TYR 62 2HB TYR 62 1.370 5.093 -3.271 454 HD1 TYR 62 1HD TYR 62 1.097 5.691 -6.976 455 HD2 TYR 62 2HD TYR 62 1.382 7.396 -3.062 456 HE1 TYR 62 1HE TYR 62 0.960 8.025 -7.975 457 HE2 TYR 62 2HE TYR 62 1.244 9.724 -4.074 458 HH TYR 62 HH TYR 62 0.160 10.315 -7.092 459 H THR 63 H THR 63 2.844 1.621 -4.829 460 HA THR 63 HA THR 63 4.208 1.598 -2.252 461 HB THR 63 HB THR 63 2.593 -0.282 -1.549 462 HG1 THR 63 1HG THR 63 1.260 0.991 -3.835 463 1HG2 THR 63 1HG2 THR 63 2.314 2.145 -0.751 464 2HG2 THR 63 2HG2 THR 63 1.187 2.377 -2.109 465 3HG2 THR 63 3HG2 THR 63 0.803 1.207 -0.824 466 H LYS 64 H LYS 64 5.464 -0.305 -1.870 467 HA LYS 64 HA LYS 64 5.715 -2.035 -4.216 468 1HB LYS 64 1HB LYS 64 8.056 -0.731 -2.796 469 2HB LYS 64 2HB LYS 64 8.152 -1.875 -4.119 470 1HG LYS 64 1HG LYS 64 6.669 -0.194 -5.452 471 2HG LYS 64 2HG LYS 64 7.036 0.957 -4.183 472 1HD LYS 64 1HD LYS 64 9.242 1.189 -4.830 473 2HD LYS 64 2HD LYS 64 9.401 -0.496 -5.284 474 1HE LYS 64 1HE LYS 64 7.872 1.596 -6.906 475 2HE LYS 64 2HE LYS 64 9.508 1.073 -7.253 476 1HZ LYS 64 1HZ LYS 64 7.030 -0.332 -7.647 477 2HZ LYS 64 2HZ LYS 64 8.411 -0.388 -8.518 478 3HZ LYS 64 3HZ LYS 64 8.281 -1.249 -7.136 479 H LEU 65 H LEU 65 6.727 -4.137 -3.713 480 HA LEU 65 HA LEU 65 5.730 -5.133 -1.264 481 1HB LEU 65 1HB LEU 65 7.351 -6.272 -3.524 482 2HB LEU 65 2HB LEU 65 7.048 -7.202 -2.070 483 HG LEU 65 HG LEU 65 5.364 -6.808 -4.355 484 1HD1 LEU 65 1HD1 LEU 65 4.537 -8.812 -3.734 485 2HD1 LEU 65 2HD1 LEU 65 5.950 -8.818 -2.652 486 3HD1 LEU 65 3HD1 LEU 65 4.354 -8.337 -2.028 487 1HD2 LEU 65 1HD2 LEU 65 3.286 -6.126 -3.415 488 2HD2 LEU 65 2HD2 LEU 65 3.971 -6.067 -1.773 489 3HD2 LEU 65 3HD2 LEU 65 4.488 -4.882 -2.996 490 H LEU 66 H LEU 66 6.697 -5.412 0.698 491 HA LEU 66 HA LEU 66 9.001 -4.016 1.311 492 1HB LEU 66 1HB LEU 66 7.573 -6.272 2.714 493 2HB LEU 66 2HB LEU 66 8.939 -5.426 3.413 494 HG LEU 66 HG LEU 66 6.127 -4.590 3.129 495 1HD1 LEU 66 1HD1 LEU 66 7.150 -3.063 5.085 496 2HD1 LEU 66 2HD1 LEU 66 6.644 -4.752 5.326 497 3HD1 LEU 66 3HD1 LEU 66 8.363 -4.365 5.070 498 1HD2 LEU 66 1HD2 LEU 66 6.546 -2.229 2.882 499 2HD2 LEU 66 2HD2 LEU 66 8.299 -2.510 2.766 500 3HD2 LEU 66 3HD2 LEU 66 7.217 -3.094 1.479 501 H SER 67 H SER 67 10.993 -5.168 2.426 502 HA SER 67 HA SER 67 11.731 -7.511 0.901 503 1HB SER 67 1HB SER 67 13.851 -5.412 1.123 504 2HB SER 67 2HB SER 67 13.575 -6.588 -0.147 505 HG SER 67 HG SER 67 12.574 -5.060 -1.246 506 H GLY 68 H GLY 68 11.727 -8.774 2.808 507 1HA GLY 68 1HA GLY 68 13.888 -8.137 4.700 508 2HA GLY 68 2HA GLY 68 12.270 -8.423 5.309 509 HA PRO 69 HA PRO 69 14.486 -12.433 4.640 510 1HB PRO 69 1HB PRO 69 15.237 -13.049 7.194 511 2HB PRO 69 2HB PRO 69 16.321 -12.320 6.026 512 1HG PRO 69 1HG PRO 69 14.970 -11.066 8.337 513 2HG PRO 69 2HG PRO 69 16.356 -10.491 7.431 514 1HD PRO 69 1HD PRO 69 13.659 -9.534 7.233 515 2HD PRO 69 2HD PRO 69 15.020 -9.042 6.247 516 H SER 70 H SER 70 12.490 -11.483 7.369 517 HA SER 70 HA SER 70 10.770 -13.694 6.631 518 1HB SER 70 1HB SER 70 12.305 -14.350 8.573 519 2HB SER 70 2HB SER 70 11.509 -13.116 9.529 520 HG SER 70 HG SER 70 10.556 -15.236 9.833 521 H SER 71 H SER 71 9.235 -12.208 5.781 522 HA SER 71 HA SER 71 7.496 -10.908 5.860 523 1HB SER 71 1HB SER 71 7.158 -12.172 8.147 524 2HB SER 71 2HB SER 71 7.631 -10.650 8.877 525 HG SER 71 HG SER 71 5.204 -11.336 7.965 526 H GLY 72 H GLY 72 6.879 -8.574 6.164 527 1HA GLY 72 1HA GLY 72 9.020 -6.844 5.826 528 2HA GLY 72 2HA GLY 72 7.376 -6.385 6.223 Start of MODEL 16 1 1H GLY 1 H GLY 1 6.521 -8.465 14.213 2 1HA GLY 1 1HA GLY 1 6.099 -8.473 11.354 3 2HA GLY 1 2HA GLY 1 7.039 -9.604 12.306 4 H SER 2 H SER 2 4.527 -9.573 10.262 5 HA SER 2 HA SER 2 2.647 -11.047 11.823 6 1HB SER 2 1HB SER 2 2.655 -9.629 9.325 7 2HB SER 2 2HB SER 2 2.169 -11.277 8.980 8 HG SER 2 HG SER 2 0.248 -10.758 9.747 9 H SER 3 H SER 3 4.896 -11.677 9.040 10 HA SER 3 HA SER 3 5.685 -13.516 8.186 11 1HB SER 3 1HB SER 3 6.019 -13.728 11.073 12 2HB SER 3 2HB SER 3 5.868 -15.328 10.373 13 HG SER 3 HG SER 3 7.904 -13.387 10.036 14 H GLY 4 H GLY 4 3.723 -13.989 6.952 15 1HA GLY 4 1HA GLY 4 2.532 -16.532 7.730 16 2HA GLY 4 2HA GLY 4 1.437 -15.170 7.598 17 H SER 5 H SER 5 0.336 -15.342 5.689 18 HA SER 5 HA SER 5 1.973 -15.590 3.310 19 1HB SER 5 1HB SER 5 -0.230 -17.435 4.184 20 2HB SER 5 2HB SER 5 -0.170 -17.024 2.481 21 HG SER 5 HG SER 5 1.638 -18.179 2.218 22 H SER 6 H SER 6 -1.566 -15.908 3.294 23 HA SER 6 HA SER 6 -1.922 -13.793 1.597 24 1HB SER 6 1HB SER 6 -3.596 -15.637 3.139 25 2HB SER 6 2HB SER 6 -4.344 -14.056 3.034 26 HG SER 6 HG SER 6 -3.541 -15.800 0.883 27 H GLY 7 H GLY 7 -0.900 -11.857 2.296 28 1HA GLY 7 1HA GLY 7 -2.162 -9.886 3.496 29 2HA GLY 7 2HA GLY 7 -1.638 -10.777 4.912 30 H GLN 8 H GLN 8 -0.023 -10.208 1.707 31 HA GLN 8 HA GLN 8 2.475 -9.919 2.816 32 1HB GLN 8 1HB GLN 8 1.198 -9.416 0.182 33 2HB GLN 8 2HB GLN 8 2.640 -8.464 0.471 34 1HG GLN 8 1HG GLN 8 2.407 -11.504 0.626 35 2HG GLN 8 2HG GLN 8 3.274 -10.584 -0.588 36 1HE2 GLN 8 1HE2 GLN 8 5.104 -9.317 0.052 37 2HE2 GLN 8 2HE2 GLN 8 6.082 -9.786 1.403 38 H LYS 9 H LYS 9 3.868 -7.804 2.524 39 HA LYS 9 HA LYS 9 2.259 -5.556 3.523 40 1HB LYS 9 1HB LYS 9 5.026 -6.467 4.361 41 2HB LYS 9 2HB LYS 9 4.332 -4.920 4.804 42 1HG LYS 9 1HG LYS 9 2.293 -6.755 5.431 43 2HG LYS 9 2HG LYS 9 3.758 -7.603 5.883 44 1HD LYS 9 1HD LYS 9 4.022 -4.870 6.771 45 2HD LYS 9 2HD LYS 9 2.442 -5.439 7.269 46 1HE LYS 9 1HE LYS 9 4.079 -5.966 9.022 47 2HE LYS 9 2HE LYS 9 3.496 -7.458 8.311 48 1HZ LYS 9 1HZ LYS 9 6.108 -6.417 8.326 49 2HZ LYS 9 2HZ LYS 9 5.601 -7.915 7.917 50 3HZ LYS 9 3HZ LYS 9 5.637 -6.730 6.794 51 H VAL 10 H VAL 10 2.726 -3.483 2.708 52 HA VAL 10 HA VAL 10 4.715 -3.434 0.552 53 HB VAL 10 HB VAL 10 3.123 -1.995 -0.712 54 1HG1 VAL 10 1HG1 VAL 10 3.213 -4.100 -1.633 55 2HG1 VAL 10 2HG1 VAL 10 2.648 -4.898 -0.145 56 3HG1 VAL 10 3HG1 VAL 10 1.492 -4.030 -1.183 57 1HG2 VAL 10 1HG2 VAL 10 1.201 -1.287 0.169 58 2HG2 VAL 10 2HG2 VAL 10 0.684 -2.962 0.482 59 3HG2 VAL 10 3HG2 VAL 10 1.643 -2.084 1.698 60 H LYS 11 H LYS 11 5.597 -1.272 0.122 61 HA LYS 11 HA LYS 11 5.203 0.532 2.407 62 1HB LYS 11 1HB LYS 11 7.290 -0.270 2.919 63 2HB LYS 11 2HB LYS 11 7.708 -0.608 1.251 64 1HG LYS 11 1HG LYS 11 7.909 1.844 0.800 65 2HG LYS 11 2HG LYS 11 7.477 2.188 2.463 66 1HD LYS 11 1HD LYS 11 9.700 0.246 2.236 67 2HD LYS 11 2HD LYS 11 10.072 1.791 1.498 68 1HE LYS 11 1HE LYS 11 10.078 2.912 3.514 69 2HE LYS 11 2HE LYS 11 8.733 1.989 4.155 70 1HZ LYS 11 1HZ LYS 11 11.242 0.597 3.756 71 2HZ LYS 11 2HZ LYS 11 11.149 1.641 5.009 72 3HZ LYS 11 3HZ LYS 11 10.109 0.385 4.912 73 H THR 12 H THR 12 5.034 2.729 1.938 74 HA THR 12 HA THR 12 4.457 3.310 -0.837 75 HB THR 12 HB THR 12 3.516 5.364 0.115 76 HG1 THR 12 1HG THR 12 4.118 5.889 2.305 77 1HG2 THR 12 1HG2 THR 12 3.124 2.994 2.016 78 2HG2 THR 12 2HG2 THR 12 2.152 4.484 2.068 79 3HG2 THR 12 3HG2 THR 12 2.084 3.427 0.637 80 H ILE 13 H ILE 13 5.733 4.306 -2.279 81 HA ILE 13 HA ILE 13 8.348 5.144 -1.297 82 HB ILE 13 HB ILE 13 8.857 5.171 -3.782 83 1HG1 ILE 13 1HG1 ILE 13 6.295 3.570 -3.988 84 2HG1 ILE 13 2HG1 ILE 13 6.415 5.258 -4.446 85 1HG2 ILE 13 1HG2 ILE 13 9.637 3.414 -2.298 86 2HG2 ILE 13 2HG2 ILE 13 8.080 2.564 -2.445 87 3HG2 ILE 13 3HG2 ILE 13 9.142 2.727 -3.864 88 1HD1 ILE 13 1HD1 ILE 13 8.553 4.348 -5.821 89 2HD1 ILE 13 2HD1 ILE 13 7.610 2.839 -5.761 90 3HD1 ILE 13 3HD1 ILE 13 6.906 4.300 -6.495 91 H PHE 14 H PHE 14 5.290 6.440 -1.900 92 HA PHE 14 HA PHE 14 6.452 9.091 -2.036 93 1HB PHE 14 1HB PHE 14 4.408 7.868 -3.983 94 2HB PHE 14 2HB PHE 14 4.698 9.594 -3.883 95 HD1 PHE 14 1HD PHE 14 7.657 9.641 -3.601 96 HD2 PHE 14 2HD PHE 14 5.163 7.302 -6.113 97 HE1 PHE 14 1HE PHE 14 9.531 9.422 -5.257 98 HE2 PHE 14 2HE PHE 14 7.036 7.083 -7.769 99 HZ PHE 14 HZ PHE 14 9.198 8.145 -7.321 100 HA PRO 15 HA PRO 15 3.103 9.883 0.595 101 1HB PRO 15 1HB PRO 15 2.932 12.607 0.444 102 2HB PRO 15 2HB PRO 15 4.113 11.774 1.435 103 1HG PRO 15 1HG PRO 15 4.508 13.167 -1.142 104 2HG PRO 15 2HG PRO 15 5.705 12.710 0.054 105 1HD PRO 15 1HD PRO 15 5.181 11.393 -2.440 106 2HD PRO 15 2HD PRO 15 6.296 10.871 -1.193 107 H HIS 16 H HIS 16 0.880 10.061 0.752 108 HA HIS 16 HA HIS 16 -0.455 11.263 -1.481 109 1HB HIS 16 1HB HIS 16 0.144 8.951 -2.269 110 2HB HIS 16 2HB HIS 16 -0.847 8.301 -0.978 111 HD1 HIS 16 1HD HIS 16 -3.331 8.086 -1.416 112 HD2 HIS 16 2HD HIS 16 -1.391 10.506 -4.240 113 HE1 HIS 16 1HE HIS 16 -5.051 8.584 -3.234 114 H THR 17 H THR 17 -1.458 12.664 -0.026 115 HA THR 17 HA THR 17 -2.634 11.675 2.386 116 HB THR 17 HB THR 17 -1.639 14.063 1.651 117 HG1 THR 17 1HG THR 17 -2.436 14.293 3.701 118 1HG2 THR 17 1HG2 THR 17 -3.491 14.407 -0.089 119 2HG2 THR 17 2HG2 THR 17 -4.656 14.396 1.258 120 3HG2 THR 17 3HG2 THR 17 -3.415 15.669 1.164 121 H ALA 18 H ALA 18 -4.930 11.838 2.948 122 HA ALA 18 HA ALA 18 -6.660 11.517 0.602 123 1HB ALA 18 1HB ALA 18 -6.590 9.729 3.068 124 2HB ALA 18 2HB ALA 18 -7.753 9.611 1.726 125 3HB ALA 18 3HB ALA 18 -6.028 9.280 1.440 126 H GLY 19 H GLY 19 -5.881 13.487 3.024 127 1HA GLY 19 1HA GLY 19 -7.801 13.884 4.830 128 2HA GLY 19 2HA GLY 19 -7.079 15.198 3.922 129 H ASN 20 H ASN 20 -9.949 14.500 4.975 130 HA ASN 20 HA ASN 20 -11.919 15.237 4.353 131 1HB ASN 20 1HB ASN 20 -10.369 16.415 2.348 132 2HB ASN 20 2HB ASN 20 -11.486 15.442 1.412 133 1HD2 ASN 20 1HD2 ASN 20 -12.356 17.403 0.619 134 2HD2 ASN 20 2HD2 ASN 20 -13.505 18.325 1.530 135 H ASN 21 H ASN 21 -10.465 13.503 1.482 136 HA ASN 21 HA ASN 21 -12.697 12.106 0.792 137 1HB ASN 21 1HB ASN 21 -9.724 11.676 0.447 138 2HB ASN 21 2HB ASN 21 -10.785 10.351 0.012 139 1HD2 ASN 21 1HD2 ASN 21 -12.522 10.759 -1.495 140 2HD2 ASN 21 2HD2 ASN 21 -12.332 11.936 -2.751 141 H LYS 22 H LYS 22 -12.450 9.408 0.831 142 HA LYS 22 HA LYS 22 -11.823 8.651 3.590 143 1HB LYS 22 1HB LYS 22 -14.401 8.123 2.095 144 2HB LYS 22 2HB LYS 22 -13.910 7.199 3.500 145 1HG LYS 22 1HG LYS 22 -13.683 10.130 3.894 146 2HG LYS 22 2HG LYS 22 -15.320 9.604 3.557 147 1HD LYS 22 1HD LYS 22 -15.538 8.749 5.646 148 2HD LYS 22 2HD LYS 22 -14.117 7.746 5.432 149 1HE LYS 22 1HE LYS 22 -12.706 9.846 5.939 150 2HE LYS 22 2HE LYS 22 -14.198 10.634 6.410 151 1HZ LYS 22 1HZ LYS 22 -14.457 9.222 8.177 152 2HZ LYS 22 2HZ LYS 22 -13.509 8.044 7.559 153 3HZ LYS 22 3HZ LYS 22 -12.835 9.405 8.158 154 H THR 23 H THR 23 -12.954 7.269 0.419 155 HA THR 23 HA THR 23 -11.891 4.784 0.648 156 HB THR 23 HB THR 23 -13.206 5.208 -1.270 157 HG1 THR 23 1HG THR 23 -11.018 4.154 -1.673 158 1HG2 THR 23 1HG2 THR 23 -13.371 7.354 -2.043 159 2HG2 THR 23 2HG2 THR 23 -11.877 7.819 -1.195 160 3HG2 THR 23 3HG2 THR 23 -11.792 7.120 -2.830 161 H LEU 24 H LEU 24 -10.136 7.781 -0.319 162 HA LEU 24 HA LEU 24 -7.714 6.385 -0.785 163 1HB LEU 24 1HB LEU 24 -8.132 9.321 -0.224 164 2HB LEU 24 2HB LEU 24 -6.738 8.579 -0.984 165 HG LEU 24 HG LEU 24 -9.532 8.552 -2.158 166 1HD1 LEU 24 1HD1 LEU 24 -7.338 10.554 -2.311 167 2HD1 LEU 24 2HD1 LEU 24 -8.196 10.165 -3.822 168 3HD1 LEU 24 3HD1 LEU 24 -9.102 10.764 -2.411 169 1HD2 LEU 24 1HD2 LEU 24 -8.747 7.046 -3.582 170 2HD2 LEU 24 2HD2 LEU 24 -7.520 8.215 -4.124 171 3HD2 LEU 24 3HD2 LEU 24 -7.151 7.091 -2.795 172 H LEU 25 H LEU 25 -5.869 6.171 0.535 173 HA LEU 25 HA LEU 25 -6.479 6.477 3.381 174 1HB LEU 25 1HB LEU 25 -5.816 4.251 2.177 175 2HB LEU 25 2HB LEU 25 -4.188 4.890 2.285 176 HG LEU 25 HG LEU 25 -4.531 5.128 4.775 177 1HD1 LEU 25 1HD1 LEU 25 -7.202 4.597 4.133 178 2HD1 LEU 25 2HD1 LEU 25 -6.622 3.136 4.968 179 3HD1 LEU 25 3HD1 LEU 25 -6.482 4.726 5.755 180 1HD2 LEU 25 1HD2 LEU 25 -4.819 2.304 4.665 181 2HD2 LEU 25 2HD2 LEU 25 -3.955 2.818 3.196 182 3HD2 LEU 25 3HD2 LEU 25 -3.328 3.268 4.800 183 H SER 26 H SER 26 -5.295 7.819 4.694 184 HA SER 26 HA SER 26 -3.415 9.501 3.284 185 1HB SER 26 1HB SER 26 -3.693 11.063 5.121 186 2HB SER 26 2HB SER 26 -5.281 10.513 4.628 187 HG SER 26 HG SER 26 -5.559 9.443 6.503 188 H PHE 27 H PHE 27 -1.227 9.199 3.507 189 HA PHE 27 HA PHE 27 -0.163 8.336 6.027 190 1HB PHE 27 1HB PHE 27 0.970 6.344 4.924 191 2HB PHE 27 2HB PHE 27 -0.774 6.174 4.959 192 HD1 PHE 27 1HD PHE 27 -1.920 5.695 2.996 193 HD2 PHE 27 2HD PHE 27 1.981 7.345 2.743 194 HE1 PHE 27 1HE PHE 27 -1.937 5.353 0.509 195 HE2 PHE 27 2HE PHE 27 1.964 7.003 0.256 196 HZ PHE 27 HZ PHE 27 0.006 6.011 -0.831 197 H ALA 28 H ALA 28 2.390 7.933 5.636 198 HA ALA 28 HA ALA 28 3.258 10.012 3.745 199 1HB ALA 28 1HB ALA 28 4.705 9.433 6.328 200 2HB ALA 28 2HB ALA 28 4.679 10.923 5.356 201 3HB ALA 28 3HB ALA 28 3.263 10.476 6.337 202 H GLN 29 H GLN 29 5.274 9.631 2.675 203 HA GLN 29 HA GLN 29 5.697 7.127 1.814 204 1HB GLN 29 1HB GLN 29 6.681 9.107 0.752 205 2HB GLN 29 2HB GLN 29 7.729 9.378 2.129 206 1HG GLN 29 1HG GLN 29 8.455 6.823 1.579 207 2HG GLN 29 2HG GLN 29 7.920 7.287 -0.024 208 1HE2 GLN 29 1HE2 GLN 29 8.725 9.428 -0.821 209 2HE2 GLN 29 2HE2 GLN 29 10.382 9.837 -0.522 210 H GLY 30 H GLY 30 6.819 5.285 2.461 211 1HA GLY 30 1HA GLY 30 8.557 4.236 3.677 212 2HA GLY 30 2HA GLY 30 8.466 5.493 4.895 213 H ASP 31 H ASP 31 5.443 5.504 4.889 214 HA ASP 31 HA ASP 31 5.035 3.845 6.991 215 1HB ASP 31 1HB ASP 31 3.088 4.871 4.879 216 2HB ASP 31 2HB ASP 31 2.551 4.040 6.326 217 H VAL 32 H VAL 32 3.847 1.757 7.170 218 HA VAL 32 HA VAL 32 3.981 0.193 4.684 219 HB VAL 32 HB VAL 32 4.530 -0.583 7.551 220 1HG1 VAL 32 1HG1 VAL 32 3.838 -2.648 7.059 221 2HG1 VAL 32 2HG1 VAL 32 3.542 -2.205 5.360 222 3HG1 VAL 32 3HG1 VAL 32 5.159 -2.747 5.871 223 1HG2 VAL 32 1HG2 VAL 32 6.435 0.473 6.565 224 2HG2 VAL 32 2HG2 VAL 32 6.743 -1.280 6.554 225 3HG2 VAL 32 3HG2 VAL 32 6.249 -0.454 5.057 226 H LEU 33 H LEU 33 2.148 -0.894 4.047 227 HA LEU 33 HA LEU 33 -0.103 -0.790 5.933 228 1HB LEU 33 1HB LEU 33 -0.542 -0.669 2.983 229 2HB LEU 33 2HB LEU 33 -1.561 -0.109 4.295 230 HG LEU 33 HG LEU 33 0.906 1.384 4.302 231 1HD1 LEU 33 1HD1 LEU 33 1.238 2.096 2.195 232 2HD1 LEU 33 2HD1 LEU 33 0.457 0.558 1.757 233 3HD1 LEU 33 3HD1 LEU 33 -0.495 2.061 1.792 234 1HD2 LEU 33 1HD2 LEU 33 -0.735 3.287 3.932 235 2HD2 LEU 33 2HD2 LEU 33 -2.015 2.050 3.915 236 3HD2 LEU 33 3HD2 LEU 33 -1.006 2.267 5.366 237 H THR 34 H THR 34 -1.313 -2.662 6.167 238 HA THR 34 HA THR 34 -0.101 -5.033 4.991 239 HB THR 34 HB THR 34 -2.277 -4.670 7.119 240 HG1 THR 34 1HG THR 34 -0.489 -4.256 8.356 241 1HG2 THR 34 1HG2 THR 34 -1.305 -7.018 5.783 242 2HG2 THR 34 2HG2 THR 34 -0.545 -6.989 7.393 243 3HG2 THR 34 3HG2 THR 34 -2.318 -6.950 7.245 244 H LEU 35 H LEU 35 -0.850 -6.057 3.250 245 HA LEU 35 HA LEU 35 -3.178 -5.066 1.960 246 1HB LEU 35 1HB LEU 35 -1.347 -7.401 1.409 247 2HB LEU 35 2HB LEU 35 -2.693 -6.959 0.377 248 HG LEU 35 HG LEU 35 -1.160 -4.599 0.768 249 1HD1 LEU 35 1HD1 LEU 35 0.921 -5.829 -0.511 250 2HD1 LEU 35 2HD1 LEU 35 0.894 -5.374 1.210 251 3HD1 LEU 35 3HD1 LEU 35 0.485 -7.036 0.723 252 1HD2 LEU 35 1HD2 LEU 35 -2.460 -4.969 -1.196 253 2HD2 LEU 35 2HD2 LEU 35 -0.754 -4.870 -1.695 254 3HD2 LEU 35 3HD2 LEU 35 -1.560 -6.453 -1.590 255 H LEU 36 H LEU 36 -5.174 -6.172 1.551 256 HA LEU 36 HA LEU 36 -5.657 -8.567 3.115 257 1HB LEU 36 1HB LEU 36 -7.494 -6.214 3.459 258 2HB LEU 36 2HB LEU 36 -7.444 -7.710 4.369 259 HG LEU 36 HG LEU 36 -5.238 -5.636 4.435 260 1HD1 LEU 36 1HD1 LEU 36 -6.197 -4.562 6.205 261 2HD1 LEU 36 2HD1 LEU 36 -7.664 -5.036 5.316 262 3HD1 LEU 36 3HD1 LEU 36 -7.127 -5.989 6.720 263 1HD2 LEU 36 1HD2 LEU 36 -5.208 -8.290 5.225 264 2HD2 LEU 36 2HD2 LEU 36 -4.098 -7.009 5.768 265 3HD2 LEU 36 3HD2 LEU 36 -5.539 -7.407 6.734 266 H ILE 37 H ILE 37 -5.312 -8.364 0.359 267 HA ILE 37 HA ILE 37 -8.005 -9.028 -0.502 268 HB ILE 37 HB ILE 37 -7.401 -7.722 -2.680 269 1HG1 ILE 37 1HG1 ILE 37 -6.055 -5.849 -0.754 270 2HG1 ILE 37 2HG1 ILE 37 -5.117 -7.104 -1.539 271 1HG2 ILE 37 1HG2 ILE 37 -8.670 -5.800 -1.856 272 2HG2 ILE 37 2HG2 ILE 37 -9.373 -7.333 -1.289 273 3HG2 ILE 37 3HG2 ILE 37 -8.405 -6.334 -0.179 274 1HD1 ILE 37 1HD1 ILE 37 -6.207 -6.260 -3.761 275 2HD1 ILE 37 2HD1 ILE 37 -6.643 -4.814 -2.819 276 3HD1 ILE 37 3HD1 ILE 37 -4.932 -5.263 -3.020 277 HA PRO 38 HA PRO 38 -5.862 -12.114 -2.622 278 1HB PRO 38 1HB PRO 38 -7.441 -12.613 -4.795 279 2HB PRO 38 2HB PRO 38 -7.802 -13.217 -3.190 280 1HG PRO 38 1HG PRO 38 -9.079 -10.996 -4.665 281 2HG PRO 38 2HG PRO 38 -9.679 -11.879 -3.276 282 1HD PRO 38 1HD PRO 38 -8.539 -9.247 -3.274 283 2HD PRO 38 2HD PRO 38 -9.032 -10.177 -1.873 284 H GLU 39 H GLU 39 -6.792 -9.451 -4.699 285 HA GLU 39 HA GLU 39 -4.110 -9.415 -5.673 286 1HB GLU 39 1HB GLU 39 -4.629 -9.676 -8.029 287 2HB GLU 39 2HB GLU 39 -5.245 -11.079 -7.178 288 1HG GLU 39 1HG GLU 39 -7.027 -8.670 -7.690 289 2HG GLU 39 2HG GLU 39 -6.796 -9.889 -8.927 290 H GLU 40 H GLU 40 -3.727 -7.430 -7.075 291 HA GLU 40 HA GLU 40 -4.802 -5.224 -5.865 292 1HB GLU 40 1HB GLU 40 -3.768 -3.952 -7.776 293 2HB GLU 40 2HB GLU 40 -2.682 -5.108 -7.031 294 1HG GLU 40 1HG GLU 40 -3.827 -6.696 -8.962 295 2HG GLU 40 2HG GLU 40 -3.906 -5.137 -9.758 296 H LYS 41 H LYS 41 -6.009 -3.371 -7.070 297 HA LYS 41 HA LYS 41 -8.377 -4.577 -8.253 298 1HB LYS 41 1HB LYS 41 -8.006 -2.607 -6.337 299 2HB LYS 41 2HB LYS 41 -8.409 -1.685 -7.771 300 1HG LYS 41 1HG LYS 41 -10.073 -4.128 -7.319 301 2HG LYS 41 2HG LYS 41 -10.271 -2.859 -6.126 302 1HD LYS 41 1HD LYS 41 -10.229 -1.566 -8.683 303 2HD LYS 41 2HD LYS 41 -11.273 -2.963 -8.852 304 1HE LYS 41 1HE LYS 41 -12.722 -2.240 -7.075 305 2HE LYS 41 2HE LYS 41 -11.550 -1.084 -6.475 306 1HZ LYS 41 1HZ LYS 41 -12.561 0.379 -7.752 307 2HZ LYS 41 2HZ LYS 41 -11.987 -0.389 -9.074 308 3HZ LYS 41 3HZ LYS 41 -13.472 -0.752 -8.499 309 H ASP 42 H ASP 42 -6.392 -4.918 -10.025 310 HA ASP 42 HA ASP 42 -5.872 -4.577 -12.103 311 1HB ASP 42 1HB ASP 42 -8.404 -3.058 -11.851 312 2HB ASP 42 2HB ASP 42 -7.374 -2.451 -13.133 313 H GLY 43 H GLY 43 -4.607 -3.058 -9.903 314 1HA GLY 43 1HA GLY 43 -2.700 -1.601 -10.808 315 2HA GLY 43 2HA GLY 43 -3.988 -0.467 -11.162 316 H TRP 44 H TRP 44 -5.711 -0.749 -8.961 317 HA TRP 44 HA TRP 44 -4.158 0.610 -6.958 318 1HB TRP 44 1HB TRP 44 -7.098 -0.046 -7.195 319 2HB TRP 44 2HB TRP 44 -6.397 0.819 -5.842 320 HD1 TRP 44 HD TRP 44 -6.879 1.279 -9.676 321 HE1 TRP 44 1HE TRP 44 -6.921 3.840 -10.311 322 HE3 TRP 44 3HE TRP 44 -5.759 2.991 -5.021 323 HZ2 TRP 44 2HZ TRP 44 -6.492 6.240 -8.829 324 HZ3 TRP 44 3HZ TRP 44 -5.590 5.458 -4.700 325 HH2 TRP 44 HH TRP 44 -5.936 7.063 -6.511 326 H LEU 45 H LEU 45 -4.379 -0.077 -4.599 327 HA LEU 45 HA LEU 45 -4.809 -2.939 -4.287 328 1HB LEU 45 1HB LEU 45 -2.204 -1.531 -4.060 329 2HB LEU 45 2HB LEU 45 -2.579 -2.713 -2.821 330 HG LEU 45 HG LEU 45 -2.940 -3.528 -5.674 331 1HD1 LEU 45 1HD1 LEU 45 -0.217 -3.979 -4.653 332 2HD1 LEU 45 2HD1 LEU 45 -0.782 -3.536 -6.281 333 3HD1 LEU 45 3HD1 LEU 45 -0.597 -2.282 -5.032 334 1HD2 LEU 45 1HD2 LEU 45 -2.952 -4.785 -3.131 335 2HD2 LEU 45 2HD2 LEU 45 -3.182 -5.520 -4.736 336 3HD2 LEU 45 3HD2 LEU 45 -1.551 -5.413 -4.031 337 H TYR 46 H TYR 46 -5.350 -3.547 -2.120 338 HA TYR 46 HA TYR 46 -6.106 -1.224 -0.488 339 1HB TYR 46 1HB TYR 46 -7.786 -2.975 -1.512 340 2HB TYR 46 2HB TYR 46 -7.068 -4.145 -0.423 341 HD1 TYR 46 1HD TYR 46 -8.697 -0.768 -0.371 342 HD2 TYR 46 2HD TYR 46 -7.994 -4.447 1.697 343 HE1 TYR 46 1HE TYR 46 -10.298 -0.048 1.468 344 HE2 TYR 46 2HE TYR 46 -9.597 -3.714 3.529 345 HH TYR 46 HH TYR 46 -11.092 -2.247 4.129 346 H GLY 47 H GLY 47 -6.292 -1.874 1.964 347 1HA GLY 47 1HA GLY 47 -4.955 -3.852 3.217 348 2HA GLY 47 2HA GLY 47 -3.659 -2.769 2.751 349 H GLU 48 H GLU 48 -3.774 -2.959 5.369 350 HA GLU 48 HA GLU 48 -5.516 -0.812 6.278 351 1HB GLU 48 1HB GLU 48 -5.727 -3.042 7.413 352 2HB GLU 48 2HB GLU 48 -4.053 -2.929 7.916 353 1HG GLU 48 1HG GLU 48 -4.546 -0.864 9.200 354 2HG GLU 48 2HG GLU 48 -6.206 -0.885 8.639 355 H HIS 49 H HIS 49 -4.617 0.847 7.724 356 HA HIS 49 HA HIS 49 -1.871 1.410 7.002 357 1HB HIS 49 1HB HIS 49 -3.729 3.087 6.751 358 2HB HIS 49 2HB HIS 49 -3.856 3.141 8.498 359 HD1 HIS 49 1HD HIS 49 -0.911 3.282 9.349 360 HD2 HIS 49 2HD HIS 49 -2.500 5.448 6.127 361 HE1 HIS 49 1HE HIS 49 0.644 5.274 8.990 362 H ASP 50 H ASP 50 -0.160 1.593 8.474 363 HA ASP 50 HA ASP 50 -0.610 0.173 10.910 364 1HB ASP 50 1HB ASP 50 1.439 -0.018 9.336 365 2HB ASP 50 2HB ASP 50 1.957 1.528 9.979 366 H THR 51 H THR 51 -2.090 2.521 11.032 367 HA THR 51 HA THR 51 -0.845 3.902 13.215 368 HB THR 51 HB THR 51 -1.295 5.270 10.515 369 HG1 THR 51 1HG THR 51 0.808 4.397 10.775 370 1HG2 THR 51 1HG2 THR 51 -0.562 7.349 11.688 371 2HG2 THR 51 2HG2 THR 51 -2.105 6.765 12.357 372 3HG2 THR 51 3HG2 THR 51 -0.587 6.480 13.241 373 H THR 52 H THR 52 -3.366 4.908 10.829 374 HA THR 52 HA THR 52 -5.200 5.430 12.937 375 HB THR 52 HB THR 52 -6.609 6.178 11.120 376 HG1 THR 52 1HG THR 52 -4.770 4.624 9.445 377 1HG2 THR 52 1HG2 THR 52 -4.180 6.530 9.480 378 2HG2 THR 52 2HG2 THR 52 -5.204 7.767 10.247 379 3HG2 THR 52 3HG2 THR 52 -3.908 6.980 11.180 380 H LYS 53 H LYS 53 -4.251 2.550 11.271 381 HA LYS 53 HA LYS 53 -4.936 0.460 11.509 382 1HB LYS 53 1HB LYS 53 -6.957 1.493 13.521 383 2HB LYS 53 2HB LYS 53 -6.485 -0.178 13.288 384 1HG LYS 53 1HG LYS 53 -4.413 1.957 13.919 385 2HG LYS 53 2HG LYS 53 -5.325 1.182 15.198 386 1HD LYS 53 1HD LYS 53 -4.206 -0.748 13.251 387 2HD LYS 53 2HD LYS 53 -2.972 0.204 14.051 388 1HE LYS 53 1HE LYS 53 -3.735 -0.487 16.252 389 2HE LYS 53 2HE LYS 53 -5.201 -1.190 15.597 390 1HZ LYS 53 1HZ LYS 53 -3.697 -2.926 15.956 391 2HZ LYS 53 2HZ LYS 53 -3.711 -2.710 14.337 392 3HZ LYS 53 3HZ LYS 53 -2.458 -2.154 15.224 393 H ALA 54 H ALA 54 -6.453 2.895 9.998 394 HA ALA 54 HA ALA 54 -8.839 1.379 9.276 395 1HB ALA 54 1HB ALA 54 -9.267 3.583 7.974 396 2HB ALA 54 2HB ALA 54 -9.356 3.632 9.751 397 3HB ALA 54 3HB ALA 54 -7.905 4.236 8.915 398 H ARG 55 H ARG 55 -9.331 0.955 7.005 399 HA ARG 55 HA ARG 55 -6.863 0.668 5.496 400 1HB ARG 55 1HB ARG 55 -9.494 -0.863 5.178 401 2HB ARG 55 2HB ARG 55 -8.015 -1.187 4.297 402 1HG ARG 55 1HG ARG 55 -7.091 -2.344 6.038 403 2HG ARG 55 2HG ARG 55 -7.579 -1.141 7.216 404 1HD ARG 55 1HD ARG 55 -10.012 -2.125 6.834 405 2HD ARG 55 2HD ARG 55 -9.165 -3.507 6.167 406 HE ARG 55 HE ARG 55 -7.861 -3.020 8.583 407 1HH1 ARG 55 2HH2 ARG 55 -11.191 -3.648 7.637 408 2HH1 ARG 55 1HH2 ARG 55 -11.609 -4.406 9.137 409 1HH2 ARG 55 2HH1 ARG 55 -8.411 -4.020 10.562 410 2HH2 ARG 55 1HH1 ARG 55 -10.017 -4.619 10.812 411 H GLY 56 H GLY 56 -6.743 1.514 3.375 412 1HA GLY 56 1HA GLY 56 -9.194 2.779 2.320 413 2HA GLY 56 2HA GLY 56 -7.688 3.668 2.431 414 H TRP 57 H TRP 57 -8.208 3.802 -0.019 415 HA TRP 57 HA TRP 57 -7.164 1.400 -1.355 416 1HB TRP 57 1HB TRP 57 -9.185 3.460 -2.158 417 2HB TRP 57 2HB TRP 57 -8.245 2.644 -3.392 418 HD1 TRP 57 HD TRP 57 -11.372 2.200 -1.473 419 HE1 TRP 57 1HE TRP 57 -12.400 -0.223 -1.672 420 HE3 TRP 57 3HE TRP 57 -7.226 0.035 -3.467 421 HZ2 TRP 57 2HZ TRP 57 -11.386 -2.716 -2.621 422 HZ3 TRP 57 3HZ TRP 57 -7.328 -2.398 -4.001 423 HH2 TRP 57 HH TRP 57 -9.317 -3.765 -3.609 424 H PHE 58 H PHE 58 -5.271 1.614 -2.548 425 HA PHE 58 HA PHE 58 -4.310 4.314 -3.060 426 1HB PHE 58 1HB PHE 58 -2.051 3.518 -2.137 427 2HB PHE 58 2HB PHE 58 -3.292 3.668 -0.908 428 HD1 PHE 58 1HD PHE 58 -4.166 1.725 0.219 429 HD2 PHE 58 2HD PHE 58 -1.313 1.299 -2.894 430 HE1 PHE 58 1HE PHE 58 -3.784 -0.661 0.896 431 HE2 PHE 58 2HE PHE 58 -0.932 -1.088 -2.217 432 HZ PHE 58 HZ PHE 58 -2.171 -2.039 -0.330 433 HA PRO 59 HA PRO 59 -2.968 2.427 -6.721 434 1HB PRO 59 1HB PRO 59 -1.068 4.195 -7.579 435 2HB PRO 59 2HB PRO 59 -2.788 4.458 -7.792 436 1HG PRO 59 1HG PRO 59 -0.942 5.736 -5.869 437 2HG PRO 59 2HG PRO 59 -2.529 6.268 -6.387 438 1HD PRO 59 1HD PRO 59 -1.870 5.003 -3.898 439 2HD PRO 59 2HD PRO 59 -3.472 5.431 -4.464 440 H SER 60 H SER 60 -1.906 0.591 -7.084 441 HA SER 60 HA SER 60 0.014 -0.261 -5.381 442 1HB SER 60 1HB SER 60 0.451 -2.028 -6.969 443 2HB SER 60 2HB SER 60 -1.252 -1.633 -7.084 444 HG SER 60 HG SER 60 -0.935 -0.596 -9.038 445 H SER 61 H SER 61 0.270 2.026 -8.036 446 HA SER 61 HA SER 61 3.017 1.686 -8.501 447 1HB SER 61 1HB SER 61 0.870 3.237 -9.565 448 2HB SER 61 2HB SER 61 2.102 4.385 -9.080 449 HG SER 61 HG SER 61 3.665 3.108 -10.327 450 H TYR 62 H TYR 62 1.078 3.376 -6.087 451 HA TYR 62 HA TYR 62 3.312 5.040 -5.263 452 1HB TYR 62 1HB TYR 62 0.346 4.676 -4.792 453 2HB TYR 62 2HB TYR 62 1.242 5.296 -3.420 454 HD1 TYR 62 1HD TYR 62 1.307 7.598 -3.191 455 HD2 TYR 62 2HD TYR 62 1.036 5.931 -7.122 456 HE1 TYR 62 1HE TYR 62 1.195 9.937 -4.183 457 HE2 TYR 62 2HE TYR 62 0.924 8.275 -8.100 458 HH TYR 62 HH TYR 62 0.757 10.394 -7.674 459 H THR 63 H THR 63 2.864 1.860 -5.000 460 HA THR 63 HA THR 63 4.087 1.783 -2.361 461 HB THR 63 HB THR 63 2.463 -0.051 -1.690 462 HG1 THR 63 1HG THR 63 1.511 -0.700 -3.620 463 1HG2 THR 63 1HG2 THR 63 0.967 2.488 -2.508 464 2HG2 THR 63 2HG2 THR 63 0.569 1.383 -1.170 465 3HG2 THR 63 3HG2 THR 63 2.019 2.412 -1.074 466 H LYS 64 H LYS 64 5.304 -0.152 -1.956 467 HA LYS 64 HA LYS 64 5.691 -1.793 -4.349 468 1HB LYS 64 1HB LYS 64 7.977 -0.687 -2.699 469 2HB LYS 64 2HB LYS 64 8.084 -1.639 -4.166 470 1HG LYS 64 1HG LYS 64 6.491 0.416 -5.048 471 2HG LYS 64 2HG LYS 64 7.422 1.258 -3.825 472 1HD LYS 64 1HD LYS 64 9.034 1.477 -5.418 473 2HD LYS 64 2HD LYS 64 9.394 -0.212 -5.122 474 1HE LYS 64 1HE LYS 64 8.812 -0.667 -7.267 475 2HE LYS 64 2HE LYS 64 7.158 -0.237 -6.876 476 1HZ LYS 64 1HZ LYS 64 8.888 1.121 -8.519 477 2HZ LYS 64 2HZ LYS 64 7.380 1.571 -8.083 478 3HZ LYS 64 3HZ LYS 64 8.667 2.088 -7.221 479 H LEU 65 H LEU 65 6.459 -3.956 -3.908 480 HA LEU 65 HA LEU 65 5.482 -4.898 -1.383 481 1HB LEU 65 1HB LEU 65 6.490 -6.146 -3.913 482 2HB LEU 65 2HB LEU 65 6.356 -7.114 -2.458 483 HG LEU 65 HG LEU 65 3.961 -5.516 -3.223 484 1HD1 LEU 65 1HD1 LEU 65 4.817 -6.409 -5.388 485 2HD1 LEU 65 2HD1 LEU 65 4.678 -8.051 -4.716 486 3HD1 LEU 65 3HD1 LEU 65 3.223 -7.046 -4.917 487 1HD2 LEU 65 1HD2 LEU 65 2.771 -7.446 -2.375 488 2HD2 LEU 65 2HD2 LEU 65 4.290 -8.365 -2.246 489 3HD2 LEU 65 3HD2 LEU 65 4.019 -6.944 -1.210 490 H LEU 66 H LEU 66 6.641 -5.378 0.423 491 HA LEU 66 HA LEU 66 9.321 -4.543 0.570 492 1HB LEU 66 1HB LEU 66 7.593 -6.154 2.451 493 2HB LEU 66 2HB LEU 66 9.201 -5.577 2.845 494 HG LEU 66 HG LEU 66 6.663 -4.013 2.467 495 1HD1 LEU 66 1HD1 LEU 66 7.784 -2.892 4.568 496 2HD1 LEU 66 2HD1 LEU 66 6.921 -4.443 4.705 497 3HD1 LEU 66 3HD1 LEU 66 8.699 -4.418 4.624 498 1HD2 LEU 66 1HD2 LEU 66 9.445 -3.070 1.897 499 2HD2 LEU 66 2HD2 LEU 66 7.906 -2.650 1.108 500 3HD2 LEU 66 3HD2 LEU 66 8.304 -1.965 2.702 501 H SER 67 H SER 67 11.050 -6.126 1.582 502 HA SER 67 HA SER 67 10.905 -8.600 0.044 503 1HB SER 67 1HB SER 67 13.605 -7.452 0.588 504 2HB SER 67 2HB SER 67 13.015 -8.293 -0.832 505 HG SER 67 HG SER 67 13.118 -5.564 -0.305 506 H GLY 68 H GLY 68 10.204 -9.809 1.898 507 1HA GLY 68 1HA GLY 68 11.537 -9.618 4.414 508 2HA GLY 68 2HA GLY 68 10.366 -10.821 3.911 509 HA PRO 69 HA PRO 69 14.683 -12.549 3.858 510 1HB PRO 69 1HB PRO 69 14.838 -13.768 6.299 511 2HB PRO 69 2HB PRO 69 15.528 -12.191 5.970 512 1HG PRO 69 1HG PRO 69 13.075 -12.863 7.477 513 2HG PRO 69 2HG PRO 69 14.001 -11.375 7.493 514 1HD PRO 69 1HD PRO 69 11.510 -11.832 6.146 515 2HD PRO 69 2HD PRO 69 12.493 -10.383 6.068 516 H SER 70 H SER 70 14.635 -14.173 2.450 517 HA SER 70 HA SER 70 12.560 -16.116 2.912 518 1HB SER 70 1HB SER 70 13.107 -15.041 0.631 519 2HB SER 70 2HB SER 70 14.549 -16.036 0.609 520 HG SER 70 HG SER 70 11.838 -16.771 0.282 521 H SER 71 H SER 71 12.980 -18.406 3.147 522 HA SER 71 HA SER 71 15.547 -19.458 3.070 523 1HB SER 71 1HB SER 71 15.779 -18.041 5.155 524 2HB SER 71 2HB SER 71 14.506 -18.988 5.899 525 HG SER 71 HG SER 71 16.862 -19.623 6.286 526 H GLY 72 H GLY 72 15.477 -21.775 3.339 527 1HA GLY 72 1HA GLY 72 13.566 -23.271 4.608 528 2HA GLY 72 2HA GLY 72 12.864 -22.905 3.044 Start of MODEL 17 1 1H GLY 1 H GLY 1 1.387 -23.809 13.051 2 1HA GLY 1 1HA GLY 1 3.207 -25.160 11.997 3 2HA GLY 1 2HA GLY 1 2.326 -26.569 12.551 4 H SER 2 H SER 2 2.188 -23.698 10.399 5 HA SER 2 HA SER 2 0.443 -25.244 8.686 6 1HB SER 2 1HB SER 2 -1.067 -23.785 9.994 7 2HB SER 2 2HB SER 2 -0.124 -22.375 9.556 8 HG SER 2 HG SER 2 -2.186 -23.026 8.265 9 H SER 3 H SER 3 0.612 -24.617 6.412 10 HA SER 3 HA SER 3 2.975 -22.973 5.951 11 1HB SER 3 1HB SER 3 1.818 -25.328 4.411 12 2HB SER 3 2HB SER 3 3.022 -24.266 3.710 13 HG SER 3 HG SER 3 3.279 -26.161 5.814 14 H GLY 4 H GLY 4 2.932 -21.489 4.102 15 1HA GLY 4 1HA GLY 4 1.957 -20.187 2.513 16 2HA GLY 4 2HA GLY 4 0.485 -21.130 2.626 17 H SER 5 H SER 5 1.733 -18.086 3.123 18 HA SER 5 HA SER 5 -0.364 -17.529 5.059 19 1HB SER 5 1HB SER 5 2.517 -16.565 5.111 20 2HB SER 5 2HB SER 5 1.247 -15.675 5.927 21 HG SER 5 HG SER 5 0.753 -17.619 7.157 22 H SER 6 H SER 6 -1.463 -15.511 4.723 23 HA SER 6 HA SER 6 -0.673 -14.194 2.242 24 1HB SER 6 1HB SER 6 -3.468 -14.636 3.382 25 2HB SER 6 2HB SER 6 -3.128 -13.637 1.983 26 HG SER 6 HG SER 6 -3.661 -16.182 1.895 27 H GLY 7 H GLY 7 -1.470 -11.823 2.143 28 1HA GLY 7 1HA GLY 7 -2.127 -9.874 3.286 29 2HA GLY 7 2HA GLY 7 -1.673 -10.604 4.813 30 H GLN 8 H GLN 8 0.057 -10.241 1.632 31 HA GLN 8 HA GLN 8 2.528 -9.920 2.738 32 1HB GLN 8 1HB GLN 8 1.258 -9.435 0.112 33 2HB GLN 8 2HB GLN 8 2.649 -8.409 0.400 34 1HG GLN 8 1HG GLN 8 2.570 -11.457 0.544 35 2HG GLN 8 2HG GLN 8 3.397 -10.488 -0.659 36 1HE2 GLN 8 1HE2 GLN 8 5.129 -9.082 0.039 37 2HE2 GLN 8 2HE2 GLN 8 6.132 -9.529 1.378 38 H LYS 9 H LYS 9 3.925 -7.791 2.431 39 HA LYS 9 HA LYS 9 2.332 -5.564 3.499 40 1HB LYS 9 1HB LYS 9 5.146 -6.416 4.241 41 2HB LYS 9 2HB LYS 9 4.375 -4.938 4.780 42 1HG LYS 9 1HG LYS 9 2.496 -7.015 5.309 43 2HG LYS 9 2HG LYS 9 4.051 -7.655 5.799 44 1HD LYS 9 1HD LYS 9 4.263 -5.159 6.873 45 2HD LYS 9 2HD LYS 9 2.519 -5.324 6.908 46 1HE LYS 9 1HE LYS 9 4.150 -7.656 7.901 47 2HE LYS 9 2HE LYS 9 4.085 -6.229 8.915 48 1HZ LYS 9 1HZ LYS 9 1.648 -6.349 8.714 49 2HZ LYS 9 2HZ LYS 9 1.792 -7.773 7.927 50 3HZ LYS 9 3HZ LYS 9 2.297 -7.641 9.474 51 H VAL 10 H VAL 10 2.794 -3.470 2.720 52 HA VAL 10 HA VAL 10 4.686 -3.408 0.476 53 HB VAL 10 HB VAL 10 3.085 -1.876 -0.651 54 1HG1 VAL 10 1HG1 VAL 10 2.815 -4.764 -0.275 55 2HG1 VAL 10 2HG1 VAL 10 1.293 -3.995 -0.786 56 3HG1 VAL 10 3HG1 VAL 10 2.765 -3.793 -1.766 57 1HG2 VAL 10 1HG2 VAL 10 1.758 -1.937 1.836 58 2HG2 VAL 10 2HG2 VAL 10 1.234 -1.124 0.343 59 3HG2 VAL 10 3HG2 VAL 10 0.689 -2.782 0.692 60 H LYS 11 H LYS 11 5.621 -1.264 0.064 61 HA LYS 11 HA LYS 11 5.428 0.473 2.424 62 1HB LYS 11 1HB LYS 11 7.501 -0.554 2.727 63 2HB LYS 11 2HB LYS 11 7.854 -0.605 1.012 64 1HG LYS 11 1HG LYS 11 8.107 1.862 0.957 65 2HG LYS 11 2HG LYS 11 7.659 1.968 2.648 66 1HD LYS 11 1HD LYS 11 9.873 0.063 2.168 67 2HD LYS 11 2HD LYS 11 10.262 1.695 1.661 68 1HE LYS 11 1HE LYS 11 10.259 2.515 3.816 69 2HE LYS 11 2HE LYS 11 8.895 1.529 4.304 70 1HZ LYS 11 1HZ LYS 11 10.292 0.088 5.169 71 2HZ LYS 11 2HZ LYS 11 11.080 -0.120 3.754 72 3HZ LYS 11 3HZ LYS 11 11.555 1.051 4.789 73 H THR 12 H THR 12 5.041 2.609 2.013 74 HA THR 12 HA THR 12 4.495 3.317 -0.724 75 HB THR 12 HB THR 12 3.579 5.352 0.340 76 HG1 THR 12 1HG THR 12 4.045 5.558 2.674 77 1HG2 THR 12 1HG2 THR 12 2.318 4.216 2.371 78 2HG2 THR 12 2HG2 THR 12 1.968 3.645 0.722 79 3HG2 THR 12 3HG2 THR 12 3.068 2.718 1.770 80 H ILE 13 H ILE 13 5.757 4.368 -2.135 81 HA ILE 13 HA ILE 13 8.331 5.292 -1.098 82 HB ILE 13 HB ILE 13 9.066 5.155 -3.434 83 1HG1 ILE 13 1HG1 ILE 13 6.285 4.069 -3.967 84 2HG1 ILE 13 2HG1 ILE 13 6.929 5.593 -4.545 85 1HG2 ILE 13 1HG2 ILE 13 9.716 3.228 -2.451 86 2HG2 ILE 13 2HG2 ILE 13 8.081 2.840 -1.865 87 3HG2 ILE 13 3HG2 ILE 13 8.518 2.522 -3.561 88 1HD1 ILE 13 1HD1 ILE 13 7.294 4.184 -6.388 89 2HD1 ILE 13 2HD1 ILE 13 8.866 4.104 -5.556 90 3HD1 ILE 13 3HD1 ILE 13 7.689 2.782 -5.364 91 H PHE 14 H PHE 14 5.265 6.458 -1.716 92 HA PHE 14 HA PHE 14 6.346 9.131 -2.079 93 1HB PHE 14 1HB PHE 14 4.103 7.811 -3.724 94 2HB PHE 14 2HB PHE 14 4.531 9.506 -3.837 95 HD1 PHE 14 1HD PHE 14 7.459 9.430 -3.891 96 HD2 PHE 14 2HD PHE 14 4.643 6.871 -5.770 97 HE1 PHE 14 1HE PHE 14 9.141 8.886 -5.673 98 HE2 PHE 14 2HE PHE 14 6.325 6.328 -7.552 99 HZ PHE 14 HZ PHE 14 8.554 7.341 -7.482 100 HA PRO 15 HA PRO 15 3.223 9.993 0.800 101 1HB PRO 15 1HB PRO 15 3.050 12.711 0.574 102 2HB PRO 15 2HB PRO 15 4.299 11.904 1.501 103 1HG PRO 15 1HG PRO 15 4.506 13.212 -1.142 104 2HG PRO 15 2HG PRO 15 5.787 12.786 -0.024 105 1HD PRO 15 1HD PRO 15 5.074 11.394 -2.429 106 2HD PRO 15 2HD PRO 15 6.277 10.905 -1.252 107 H HIS 16 H HIS 16 1.029 10.070 1.081 108 HA HIS 16 HA HIS 16 -0.507 11.317 -0.976 109 1HB HIS 16 1HB HIS 16 0.088 9.164 -2.044 110 2HB HIS 16 2HB HIS 16 -0.634 8.301 -0.700 111 HD1 HIS 16 1HD HIS 16 -3.133 7.882 -0.786 112 HD2 HIS 16 2HD HIS 16 -1.853 10.682 -3.635 113 HE1 HIS 16 1HE HIS 16 -5.142 8.339 -2.292 114 H THR 17 H THR 17 -1.884 12.441 0.308 115 HA THR 17 HA THR 17 -2.951 11.038 2.667 116 HB THR 17 HB THR 17 -2.399 13.980 2.042 117 HG1 THR 17 1HG THR 17 -0.917 13.575 3.783 118 1HG2 THR 17 1HG2 THR 17 -3.247 14.474 4.301 119 2HG2 THR 17 2HG2 THR 17 -4.555 13.716 3.362 120 3HG2 THR 17 3HG2 THR 17 -3.649 12.759 4.558 121 H ALA 18 H ALA 18 -5.154 10.972 3.069 122 HA ALA 18 HA ALA 18 -6.761 11.177 0.707 123 1HB ALA 18 1HB ALA 18 -7.260 10.355 3.588 124 2HB ALA 18 2HB ALA 18 -8.548 10.391 2.359 125 3HB ALA 18 3HB ALA 18 -7.148 9.312 2.150 126 H GLY 19 H GLY 19 -6.787 13.406 0.144 127 1HA GLY 19 1HA GLY 19 -7.644 15.345 2.124 128 2HA GLY 19 2HA GLY 19 -7.204 15.637 0.453 129 H ASN 20 H ASN 20 -9.802 15.208 2.694 130 HA ASN 20 HA ASN 20 -11.931 15.672 2.402 131 1HB ASN 20 1HB ASN 20 -11.003 16.551 -0.057 132 2HB ASN 20 2HB ASN 20 -12.084 15.267 -0.559 133 1HD2 ASN 20 1HD2 ASN 20 -13.554 16.654 -1.469 134 2HD2 ASN 20 2HD2 ASN 20 -14.612 17.675 -0.554 135 H ASN 21 H ASN 21 -10.823 13.436 -0.266 136 HA ASN 21 HA ASN 21 -12.961 11.777 -0.268 137 1HB ASN 21 1HB ASN 21 -10.040 11.489 -0.947 138 2HB ASN 21 2HB ASN 21 -10.958 10.001 -0.828 139 1HD2 ASN 21 1HD2 ASN 21 -9.953 12.365 -2.858 140 2HD2 ASN 21 2HD2 ASN 21 -11.127 12.251 -4.127 141 H LYS 22 H LYS 22 -12.947 9.366 0.539 142 HA LYS 22 HA LYS 22 -11.724 9.253 3.208 143 1HB LYS 22 1HB LYS 22 -14.498 8.459 2.310 144 2HB LYS 22 2HB LYS 22 -13.773 7.809 3.767 145 1HG LYS 22 1HG LYS 22 -13.435 10.726 3.621 146 2HG LYS 22 2HG LYS 22 -15.126 10.277 3.509 147 1HD LYS 22 1HD LYS 22 -14.921 8.914 5.583 148 2HD LYS 22 2HD LYS 22 -13.215 9.302 5.686 149 1HE LYS 22 1HE LYS 22 -14.363 11.830 5.472 150 2HE LYS 22 2HE LYS 22 -15.573 10.962 6.396 151 1HZ LYS 22 1HZ LYS 22 -12.947 11.745 7.163 152 2HZ LYS 22 2HZ LYS 22 -14.241 11.395 8.095 153 3HZ LYS 22 3HZ LYS 22 -13.281 10.193 7.548 154 H THR 23 H THR 23 -13.139 7.267 0.515 155 HA THR 23 HA THR 23 -12.215 4.821 1.141 156 HB THR 23 HB THR 23 -13.539 5.176 -0.846 157 HG1 THR 23 1HG THR 23 -10.777 4.722 -1.710 158 1HG2 THR 23 1HG2 THR 23 -12.907 6.545 -2.696 159 2HG2 THR 23 2HG2 THR 23 -12.450 7.534 -1.289 160 3HG2 THR 23 3HG2 THR 23 -11.208 6.615 -2.172 161 H LEU 24 H LEU 24 -10.248 7.324 -0.599 162 HA LEU 24 HA LEU 24 -7.950 5.803 -0.766 163 1HB LEU 24 1HB LEU 24 -8.187 8.799 -0.455 164 2HB LEU 24 2HB LEU 24 -6.800 7.929 -1.078 165 HG LEU 24 HG LEU 24 -9.493 7.691 -2.410 166 1HD1 LEU 24 1HD1 LEU 24 -7.775 10.061 -2.293 167 2HD1 LEU 24 2HD1 LEU 24 -8.122 9.512 -3.950 168 3HD1 LEU 24 3HD1 LEU 24 -9.460 9.883 -2.837 169 1HD2 LEU 24 1HD2 LEU 24 -8.023 6.068 -3.229 170 2HD2 LEU 24 2HD2 LEU 24 -7.929 7.386 -4.422 171 3HD2 LEU 24 3HD2 LEU 24 -6.634 7.181 -3.218 172 H LEU 25 H LEU 25 -6.243 5.334 0.594 173 HA LEU 25 HA LEU 25 -6.779 5.682 3.389 174 1HB LEU 25 1HB LEU 25 -5.721 3.681 2.034 175 2HB LEU 25 2HB LEU 25 -4.230 4.558 2.310 176 HG LEU 25 HG LEU 25 -5.244 2.683 3.981 177 1HD1 LEU 25 1HD1 LEU 25 -3.153 4.638 4.016 178 2HD1 LEU 25 2HD1 LEU 25 -3.833 4.486 5.655 179 3HD1 LEU 25 3HD1 LEU 25 -3.220 3.045 4.807 180 1HD2 LEU 25 1HD2 LEU 25 -6.090 5.317 5.218 181 2HD2 LEU 25 2HD2 LEU 25 -7.200 4.110 4.525 182 3HD2 LEU 25 3HD2 LEU 25 -6.208 3.696 5.944 183 H SER 26 H SER 26 -4.470 6.163 4.671 184 HA SER 26 HA SER 26 -3.382 8.568 3.468 185 1HB SER 26 1HB SER 26 -3.774 9.923 5.378 186 2HB SER 26 2HB SER 26 -5.292 9.088 5.116 187 HG SER 26 HG SER 26 -5.115 8.226 7.059 188 H PHE 27 H PHE 27 -1.164 8.474 3.536 189 HA PHE 27 HA PHE 27 0.156 7.459 5.860 190 1HB PHE 27 1HB PHE 27 1.357 5.677 4.497 191 2HB PHE 27 2HB PHE 27 -0.358 5.351 4.645 192 HD1 PHE 27 1HD PHE 27 -1.747 5.234 2.730 193 HD2 PHE 27 2HD PHE 27 2.233 6.658 2.354 194 HE1 PHE 27 1HE PHE 27 -1.938 5.107 0.231 195 HE2 PHE 27 2HE PHE 27 2.042 6.531 -0.146 196 HZ PHE 27 HZ PHE 27 -0.041 5.757 -1.177 197 H ALA 28 H ALA 28 2.654 7.473 5.445 198 HA ALA 28 HA ALA 28 3.251 9.617 3.524 199 1HB ALA 28 1HB ALA 28 4.743 9.315 6.125 200 2HB ALA 28 2HB ALA 28 4.502 10.764 5.119 201 3HB ALA 28 3HB ALA 28 3.164 10.135 6.111 202 H GLN 29 H GLN 29 5.240 9.437 2.405 203 HA GLN 29 HA GLN 29 6.028 7.048 1.599 204 1HB GLN 29 1HB GLN 29 6.833 9.136 0.599 205 2HB GLN 29 2HB GLN 29 7.787 9.502 2.023 206 1HG GLN 29 1HG GLN 29 8.752 6.998 1.427 207 2HG GLN 29 2HG GLN 29 8.333 7.557 -0.181 208 1HE2 GLN 29 1HE2 GLN 29 9.290 9.423 -1.030 209 2HE2 GLN 29 2HE2 GLN 29 10.788 10.054 -0.433 210 H GLY 30 H GLY 30 6.837 5.234 2.553 211 1HA GLY 30 1HA GLY 30 8.751 4.322 3.737 212 2HA GLY 30 2HA GLY 30 8.573 5.602 4.920 213 H ASP 31 H ASP 31 5.637 5.569 5.054 214 HA ASP 31 HA ASP 31 5.261 3.877 7.105 215 1HB ASP 31 1HB ASP 31 3.349 4.995 5.027 216 2HB ASP 31 2HB ASP 31 2.745 3.967 6.311 217 H VAL 32 H VAL 32 4.043 1.782 7.279 218 HA VAL 32 HA VAL 32 4.244 0.206 4.805 219 HB VAL 32 HB VAL 32 4.697 -0.608 7.683 220 1HG1 VAL 32 1HG1 VAL 32 3.719 -2.195 5.593 221 2HG1 VAL 32 2HG1 VAL 32 5.457 -2.571 5.677 222 3HG1 VAL 32 3HG1 VAL 32 4.436 -2.756 7.123 223 1HG2 VAL 32 1HG2 VAL 32 6.534 0.691 6.567 224 2HG2 VAL 32 2HG2 VAL 32 6.995 -0.954 7.067 225 3HG2 VAL 32 3HG2 VAL 32 6.645 -0.608 5.356 226 H LEU 33 H LEU 33 2.434 -0.909 4.147 227 HA LEU 33 HA LEU 33 0.151 -0.813 5.993 228 1HB LEU 33 1HB LEU 33 -0.253 -0.731 3.040 229 2HB LEU 33 2HB LEU 33 -1.283 -0.148 4.333 230 HG LEU 33 HG LEU 33 1.351 1.207 3.860 231 1HD1 LEU 33 1HD1 LEU 33 0.854 2.036 1.861 232 2HD1 LEU 33 2HD1 LEU 33 -0.484 0.865 1.774 233 3HD1 LEU 33 3HD1 LEU 33 -0.778 2.508 2.392 234 1HD2 LEU 33 1HD2 LEU 33 0.256 2.013 5.765 235 2HD2 LEU 33 2HD2 LEU 33 -0.128 3.202 4.497 236 3HD2 LEU 33 3HD2 LEU 33 -1.339 1.989 4.975 237 H THR 34 H THR 34 -1.147 -2.671 6.114 238 HA THR 34 HA THR 34 0.138 -5.048 5.000 239 HB THR 34 HB THR 34 -1.997 -4.635 7.160 240 HG1 THR 34 1HG THR 34 0.126 -3.903 7.767 241 1HG2 THR 34 1HG2 THR 34 -2.234 -6.905 7.164 242 2HG2 THR 34 2HG2 THR 34 -1.139 -7.029 5.767 243 3HG2 THR 34 3HG2 THR 34 -0.480 -7.069 7.420 244 H LEU 35 H LEU 35 -0.606 -6.085 3.263 245 HA LEU 35 HA LEU 35 -2.919 -5.106 1.951 246 1HB LEU 35 1HB LEU 35 -1.051 -7.419 1.464 247 2HB LEU 35 2HB LEU 35 -2.439 -7.102 0.443 248 HG LEU 35 HG LEU 35 -1.011 -4.653 0.673 249 1HD1 LEU 35 1HD1 LEU 35 1.110 -5.242 1.000 250 2HD1 LEU 35 2HD1 LEU 35 0.743 -6.973 0.807 251 3HD1 LEU 35 3HD1 LEU 35 1.063 -5.965 -0.625 252 1HD2 LEU 35 1HD2 LEU 35 -1.650 -6.625 -1.493 253 2HD2 LEU 35 2HD2 LEU 35 -2.206 -4.949 -1.272 254 3HD2 LEU 35 3HD2 LEU 35 -0.546 -5.270 -1.828 255 H LEU 36 H LEU 36 -4.922 -6.202 1.540 256 HA LEU 36 HA LEU 36 -5.497 -8.260 3.558 257 1HB LEU 36 1HB LEU 36 -7.412 -6.200 2.460 258 2HB LEU 36 2HB LEU 36 -7.734 -7.381 3.714 259 HG LEU 36 HG LEU 36 -5.709 -5.140 3.960 260 1HD1 LEU 36 1HD1 LEU 36 -8.140 -5.022 5.611 261 2HD1 LEU 36 2HD1 LEU 36 -7.277 -3.738 4.730 262 3HD1 LEU 36 3HD1 LEU 36 -8.419 -4.797 3.868 263 1HD2 LEU 36 1HD2 LEU 36 -6.754 -6.301 6.421 264 2HD2 LEU 36 2HD2 LEU 36 -5.905 -7.495 5.411 265 3HD2 LEU 36 3HD2 LEU 36 -5.075 -6.003 5.912 266 H ILE 37 H ILE 37 -6.170 -6.990 0.248 267 HA ILE 37 HA ILE 37 -7.189 -9.656 -0.429 268 HB ILE 37 HB ILE 37 -8.236 -8.564 -2.348 269 1HG1 ILE 37 1HG1 ILE 37 -7.207 -5.968 -1.164 270 2HG1 ILE 37 2HG1 ILE 37 -6.596 -6.728 -2.620 271 1HG2 ILE 37 1HG2 ILE 37 -8.984 -8.390 0.356 272 2HG2 ILE 37 2HG2 ILE 37 -9.366 -6.806 -0.360 273 3HG2 ILE 37 3HG2 ILE 37 -10.034 -8.292 -1.078 274 1HD1 ILE 37 1HD1 ILE 37 -8.253 -4.950 -3.147 275 2HD1 ILE 37 2HD1 ILE 37 -8.826 -6.546 -3.688 276 3HD1 ILE 37 3HD1 ILE 37 -9.482 -5.822 -2.200 277 HA PRO 38 HA PRO 38 -3.544 -10.238 -2.690 278 1HB PRO 38 1HB PRO 38 -4.234 -12.504 -4.052 279 2HB PRO 38 2HB PRO 38 -3.655 -12.520 -2.398 280 1HG PRO 38 1HG PRO 38 -6.411 -12.894 -3.401 281 2HG PRO 38 2HG PRO 38 -5.744 -13.318 -1.836 282 1HD PRO 38 1HD PRO 38 -7.424 -11.071 -2.434 283 2HD PRO 38 2HD PRO 38 -6.663 -11.432 -0.897 284 H GLU 39 H GLU 39 -6.542 -9.540 -4.069 285 HA GLU 39 HA GLU 39 -5.363 -9.356 -6.697 286 1HB GLU 39 1HB GLU 39 -7.952 -9.935 -5.735 287 2HB GLU 39 2HB GLU 39 -8.103 -8.342 -6.449 288 1HG GLU 39 1HG GLU 39 -8.459 -9.692 -8.325 289 2HG GLU 39 2HG GLU 39 -6.737 -9.395 -8.460 290 H GLU 40 H GLU 40 -6.274 -7.211 -7.944 291 HA GLU 40 HA GLU 40 -5.760 -4.976 -6.145 292 1HB GLU 40 1HB GLU 40 -4.482 -3.882 -8.009 293 2HB GLU 40 2HB GLU 40 -3.711 -5.334 -7.402 294 1HG GLU 40 1HG GLU 40 -5.637 -5.722 -9.666 295 2HG GLU 40 2HG GLU 40 -4.159 -4.866 -10.056 296 H LYS 41 H LYS 41 -6.966 -3.061 -6.558 297 HA LYS 41 HA LYS 41 -9.352 -3.526 -8.090 298 1HB LYS 41 1HB LYS 41 -9.436 -2.480 -5.868 299 2HB LYS 41 2HB LYS 41 -8.452 -1.148 -6.437 300 1HG LYS 41 1HG LYS 41 -10.199 -0.579 -8.136 301 2HG LYS 41 2HG LYS 41 -11.183 -1.916 -7.573 302 1HD LYS 41 1HD LYS 41 -10.630 -0.545 -5.204 303 2HD LYS 41 2HD LYS 41 -10.773 0.759 -6.365 304 1HE LYS 41 1HE LYS 41 -12.937 -0.754 -7.104 305 2HE LYS 41 2HE LYS 41 -12.857 -1.164 -5.402 306 1HZ LYS 41 1HZ LYS 41 -14.029 1.007 -6.331 307 2HZ LYS 41 2HZ LYS 41 -13.421 0.901 -4.820 308 3HZ LYS 41 3HZ LYS 41 -12.556 1.628 -5.998 309 H ASP 42 H ASP 42 -7.916 -3.812 -10.112 310 HA ASP 42 HA ASP 42 -7.280 -3.090 -12.054 311 1HB ASP 42 1HB ASP 42 -9.082 -0.824 -11.183 312 2HB ASP 42 2HB ASP 42 -8.151 -0.626 -12.655 313 H GLY 43 H GLY 43 -5.163 -2.955 -10.511 314 1HA GLY 43 1HA GLY 43 -3.102 -1.890 -10.745 315 2HA GLY 43 2HA GLY 43 -3.906 -0.375 -11.106 316 H TRP 44 H TRP 44 -5.836 -0.350 -8.947 317 HA TRP 44 HA TRP 44 -4.132 0.625 -6.881 318 1HB TRP 44 1HB TRP 44 -7.124 0.364 -7.165 319 2HB TRP 44 2HB TRP 44 -6.357 0.996 -5.722 320 HD1 TRP 44 HD TRP 44 -6.290 1.839 -9.547 321 HE1 TRP 44 1HE TRP 44 -6.122 4.447 -9.909 322 HE3 TRP 44 3HE TRP 44 -5.987 3.034 -4.614 323 HZ2 TRP 44 2HZ TRP 44 -5.886 6.668 -8.132 324 HZ3 TRP 44 3HZ TRP 44 -5.790 5.445 -4.013 325 HH2 TRP 44 HH TRP 44 -5.737 7.233 -5.679 326 H LEU 45 H LEU 45 -4.160 -0.177 -4.627 327 HA LEU 45 HA LEU 45 -5.008 -2.968 -4.401 328 1HB LEU 45 1HB LEU 45 -2.259 -1.861 -4.150 329 2HB LEU 45 2HB LEU 45 -2.747 -3.071 -2.981 330 HG LEU 45 HG LEU 45 -2.945 -3.482 -5.974 331 1HD1 LEU 45 1HD1 LEU 45 -0.865 -4.618 -5.959 332 2HD1 LEU 45 2HD1 LEU 45 -0.593 -3.051 -5.159 333 3HD1 LEU 45 3HD1 LEU 45 -0.746 -4.533 -4.185 334 1HD2 LEU 45 1HD2 LEU 45 -2.916 -5.538 -3.754 335 2HD2 LEU 45 2HD2 LEU 45 -4.402 -4.871 -4.471 336 3HD2 LEU 45 3HD2 LEU 45 -3.262 -5.791 -5.482 337 H TYR 46 H TYR 46 -5.499 -3.633 -2.218 338 HA TYR 46 HA TYR 46 -6.076 -1.315 -0.510 339 1HB TYR 46 1HB TYR 46 -7.780 -3.131 -1.534 340 2HB TYR 46 2HB TYR 46 -7.136 -4.179 -0.286 341 HD1 TYR 46 1HD TYR 46 -8.322 -0.612 -0.465 342 HD2 TYR 46 2HD TYR 46 -8.487 -4.366 1.580 343 HE1 TYR 46 1HE TYR 46 -9.964 0.365 1.212 344 HE2 TYR 46 2HE TYR 46 -10.128 -3.376 3.250 345 HH TYR 46 HH TYR 46 -11.890 -1.346 3.053 346 H GLY 47 H GLY 47 -5.918 -1.669 1.873 347 1HA GLY 47 1HA GLY 47 -4.537 -3.862 2.972 348 2HA GLY 47 2HA GLY 47 -3.384 -2.592 2.613 349 H GLU 48 H GLU 48 -3.269 -2.820 5.131 350 HA GLU 48 HA GLU 48 -5.208 -0.931 6.216 351 1HB GLU 48 1HB GLU 48 -5.589 -3.229 7.096 352 2HB GLU 48 2HB GLU 48 -3.931 -3.297 7.657 353 1HG GLU 48 1HG GLU 48 -4.454 -1.160 9.023 354 2HG GLU 48 2HG GLU 48 -6.140 -1.440 8.637 355 H HIS 49 H HIS 49 -4.383 0.715 7.589 356 HA HIS 49 HA HIS 49 -1.576 1.183 7.233 357 1HB HIS 49 1HB HIS 49 -3.489 2.891 7.055 358 2HB HIS 49 2HB HIS 49 -3.516 2.879 8.807 359 HD1 HIS 49 1HD HIS 49 -1.081 3.507 9.972 360 HD2 HIS 49 2HD HIS 49 -1.665 4.630 5.973 361 HE1 HIS 49 1HE HIS 49 0.663 5.300 9.472 362 H ASP 50 H ASP 50 0.027 1.192 8.832 363 HA ASP 50 HA ASP 50 -0.677 -0.363 11.137 364 1HB ASP 50 1HB ASP 50 1.458 -0.571 9.621 365 2HB ASP 50 2HB ASP 50 2.057 0.813 10.515 366 H THR 51 H THR 51 -1.905 2.191 11.189 367 HA THR 51 HA THR 51 -0.698 3.318 13.552 368 HB THR 51 HB THR 51 -1.101 5.093 11.096 369 HG1 THR 51 1HG THR 51 1.318 3.965 12.313 370 1HG2 THR 51 1HG2 THR 51 -0.953 6.524 12.982 371 2HG2 THR 51 2HG2 THR 51 0.102 5.398 13.868 372 3HG2 THR 51 3HG2 THR 51 0.756 6.354 12.516 373 H THR 52 H THR 52 -3.026 4.474 11.025 374 HA THR 52 HA THR 52 -4.902 5.235 13.009 375 HB THR 52 HB THR 52 -6.341 5.468 10.843 376 HG1 THR 52 1HG THR 52 -5.039 5.079 8.931 377 1HG2 THR 52 1HG2 THR 52 -3.594 6.750 10.547 378 2HG2 THR 52 2HG2 THR 52 -5.183 7.429 10.118 379 3HG2 THR 52 3HG2 THR 52 -4.710 7.282 11.828 380 H LYS 53 H LYS 53 -4.127 2.198 11.490 381 HA LYS 53 HA LYS 53 -4.947 0.172 11.844 382 1HB LYS 53 1HB LYS 53 -6.905 1.424 13.792 383 2HB LYS 53 2HB LYS 53 -6.507 -0.277 13.658 384 1HG LYS 53 1HG LYS 53 -4.368 1.823 14.199 385 2HG LYS 53 2HG LYS 53 -5.292 1.098 15.500 386 1HD LYS 53 1HD LYS 53 -4.241 -0.926 13.626 387 2HD LYS 53 2HD LYS 53 -2.963 0.045 14.331 388 1HE LYS 53 1HE LYS 53 -3.612 -0.539 16.581 389 2HE LYS 53 2HE LYS 53 -5.156 -1.181 16.054 390 1HZ LYS 53 1HZ LYS 53 -2.936 -2.624 16.420 391 2HZ LYS 53 2HZ LYS 53 -4.219 -3.105 15.531 392 3HZ LYS 53 3HZ LYS 53 -2.924 -2.430 14.798 393 H ALA 54 H ALA 54 -6.323 2.643 10.236 394 HA ALA 54 HA ALA 54 -8.783 1.220 9.563 395 1HB ALA 54 1HB ALA 54 -9.338 3.442 9.877 396 2HB ALA 54 2HB ALA 54 -7.754 4.030 9.317 397 3HB ALA 54 3HB ALA 54 -8.962 3.467 8.137 398 H ARG 55 H ARG 55 -9.326 1.229 7.117 399 HA ARG 55 HA ARG 55 -6.866 0.653 5.671 400 1HB ARG 55 1HB ARG 55 -9.536 -0.774 5.253 401 2HB ARG 55 2HB ARG 55 -7.994 -1.206 4.541 402 1HG ARG 55 1HG ARG 55 -7.447 -2.460 6.349 403 2HG ARG 55 2HG ARG 55 -7.678 -1.093 7.421 404 1HD ARG 55 1HD ARG 55 -10.091 -1.560 7.589 405 2HD ARG 55 2HD ARG 55 -9.974 -2.818 6.375 406 HE ARG 55 HE ARG 55 -8.141 -3.366 8.536 407 1HH1 ARG 55 2HH2 ARG 55 -11.566 -3.450 7.732 408 2HH1 ARG 55 1HH2 ARG 55 -11.933 -4.705 8.867 409 1HH2 ARG 55 2HH1 ARG 55 -8.625 -5.022 10.035 410 2HH2 ARG 55 1HH1 ARG 55 -10.249 -5.605 10.186 411 H GLY 56 H GLY 56 -6.730 1.506 3.555 412 1HA GLY 56 1HA GLY 56 -9.147 2.839 2.509 413 2HA GLY 56 2HA GLY 56 -7.620 3.690 2.622 414 H TRP 57 H TRP 57 -8.250 3.800 0.157 415 HA TRP 57 HA TRP 57 -7.171 1.409 -1.172 416 1HB TRP 57 1HB TRP 57 -9.197 3.459 -2.044 417 2HB TRP 57 2HB TRP 57 -8.340 2.461 -3.202 418 HD1 TRP 57 HD TRP 57 -11.260 2.328 -0.812 419 HE1 TRP 57 1HE TRP 57 -12.470 -0.018 -0.832 420 HE3 TRP 57 3HE TRP 57 -7.672 -0.089 -3.484 421 HZ2 TRP 57 2HZ TRP 57 -11.805 -2.563 -1.937 422 HZ3 TRP 57 3HZ TRP 57 -8.030 -2.504 -3.991 423 HH2 TRP 57 HH TRP 57 -10.010 -3.738 -3.264 424 H PHE 58 H PHE 58 -5.303 1.659 -2.390 425 HA PHE 58 HA PHE 58 -4.445 4.372 -2.997 426 1HB PHE 58 1HB PHE 58 -2.134 3.644 -2.091 427 2HB PHE 58 2HB PHE 58 -3.354 3.885 -0.857 428 HD1 PHE 58 1HD PHE 58 -1.968 1.167 -3.010 429 HD2 PHE 58 2HD PHE 58 -3.650 2.238 0.736 430 HE1 PHE 58 1HE PHE 58 -1.576 -1.164 -2.167 431 HE2 PHE 58 2HE PHE 58 -3.258 -0.093 1.579 432 HZ PHE 58 HZ PHE 58 -2.225 -1.767 0.117 433 HA PRO 59 HA PRO 59 -3.019 2.429 -6.595 434 1HB PRO 59 1HB PRO 59 -1.090 4.163 -7.456 435 2HB PRO 59 2HB PRO 59 -2.803 4.440 -7.696 436 1HG PRO 59 1HG PRO 59 -0.969 5.729 -5.769 437 2HG PRO 59 2HG PRO 59 -2.544 6.270 -6.316 438 1HD PRO 59 1HD PRO 59 -1.931 5.039 -3.799 439 2HD PRO 59 2HD PRO 59 -3.521 5.474 -4.394 440 H SER 60 H SER 60 -1.955 0.591 -6.949 441 HA SER 60 HA SER 60 -0.079 -0.270 -5.198 442 1HB SER 60 1HB SER 60 0.377 -2.048 -6.769 443 2HB SER 60 2HB SER 60 -1.322 -1.643 -6.914 444 HG SER 60 HG SER 60 -0.587 -1.742 -9.017 445 H SER 61 H SER 61 0.248 2.006 -7.852 446 HA SER 61 HA SER 61 3.000 1.639 -8.265 447 1HB SER 61 1HB SER 61 0.874 3.269 -9.321 448 2HB SER 61 2HB SER 61 2.199 4.335 -8.898 449 HG SER 61 HG SER 61 2.686 3.677 -10.962 450 H TYR 62 H TYR 62 1.025 3.378 -5.908 451 HA TYR 62 HA TYR 62 3.239 5.040 -5.052 452 1HB TYR 62 1HB TYR 62 0.279 4.624 -4.587 453 2HB TYR 62 2HB TYR 62 1.163 5.251 -3.210 454 HD1 TYR 62 1HD TYR 62 0.853 7.531 -2.967 455 HD2 TYR 62 2HD TYR 62 1.288 5.926 -6.908 456 HE1 TYR 62 1HE TYR 62 0.705 9.873 -3.945 457 HE2 TYR 62 2HE TYR 62 1.138 8.273 -7.873 458 HH TYR 62 HH TYR 62 0.740 11.082 -5.727 459 H THR 63 H THR 63 2.815 1.846 -4.797 460 HA THR 63 HA THR 63 4.061 1.775 -2.169 461 HB THR 63 HB THR 63 2.445 -0.097 -1.517 462 HG1 THR 63 1HG THR 63 1.726 -0.459 -3.751 463 1HG2 THR 63 1HG2 THR 63 2.057 2.339 -0.789 464 2HG2 THR 63 2HG2 THR 63 0.984 2.502 -2.199 465 3HG2 THR 63 3HG2 THR 63 0.583 1.348 -0.904 466 H LYS 64 H LYS 64 5.304 -0.140 -1.780 467 HA LYS 64 HA LYS 64 5.657 -1.804 -4.162 468 1HB LYS 64 1HB LYS 64 8.179 -1.679 -3.588 469 2HB LYS 64 2HB LYS 64 7.445 -0.375 -4.498 470 1HG LYS 64 1HG LYS 64 7.445 1.104 -2.650 471 2HG LYS 64 2HG LYS 64 7.514 -0.196 -1.476 472 1HD LYS 64 1HD LYS 64 9.868 -0.688 -2.701 473 2HD LYS 64 2HD LYS 64 9.741 1.012 -3.108 474 1HE LYS 64 1HE LYS 64 10.291 1.637 -0.992 475 2HE LYS 64 2HE LYS 64 9.039 0.623 -0.303 476 1HZ LYS 64 1HZ LYS 64 11.095 -0.173 0.450 477 2HZ LYS 64 2HZ LYS 64 10.588 -1.264 -0.654 478 3HZ LYS 64 3HZ LYS 64 11.757 -0.193 -1.043 479 H LEU 65 H LEU 65 6.453 -3.951 -3.711 480 HA LEU 65 HA LEU 65 5.447 -4.965 -1.280 481 1HB LEU 65 1HB LEU 65 7.001 -6.123 -3.578 482 2HB LEU 65 2HB LEU 65 6.638 -7.075 -2.153 483 HG LEU 65 HG LEU 65 4.991 -6.521 -4.430 484 1HD1 LEU 65 1HD1 LEU 65 3.807 -8.394 -3.726 485 2HD1 LEU 65 2HD1 LEU 65 5.435 -8.668 -3.060 486 3HD1 LEU 65 3HD1 LEU 65 4.128 -8.080 -2.004 487 1HD2 LEU 65 1HD2 LEU 65 3.688 -5.713 -1.817 488 2HD2 LEU 65 2HD2 LEU 65 4.191 -4.584 -3.098 489 3HD2 LEU 65 3HD2 LEU 65 2.928 -5.794 -3.424 490 H LEU 66 H LEU 66 6.413 -5.349 0.665 491 HA LEU 66 HA LEU 66 8.796 -4.093 1.289 492 1HB LEU 66 1HB LEU 66 7.243 -6.288 2.653 493 2HB LEU 66 2HB LEU 66 8.667 -5.550 3.360 494 HG LEU 66 HG LEU 66 5.915 -4.557 3.183 495 1HD1 LEU 66 1HD1 LEU 66 6.343 -4.347 5.347 496 2HD1 LEU 66 2HD1 LEU 66 8.054 -4.754 5.074 497 3HD1 LEU 66 3HD1 LEU 66 7.517 -3.060 4.982 498 1HD2 LEU 66 1HD2 LEU 66 8.150 -2.578 2.664 499 2HD2 LEU 66 2HD2 LEU 66 6.964 -3.126 1.455 500 3HD2 LEU 66 3HD2 LEU 66 6.421 -2.215 2.885 501 H SER 67 H SER 67 10.731 -5.373 2.356 502 HA SER 67 HA SER 67 11.303 -7.826 1.022 503 1HB SER 67 1HB SER 67 12.582 -5.230 0.193 504 2HB SER 67 2HB SER 67 13.599 -6.656 0.249 505 HG SER 67 HG SER 67 12.114 -5.978 -1.773 506 H GLY 68 H GLY 68 11.721 -8.824 3.006 507 1HA GLY 68 1HA GLY 68 13.404 -7.464 4.960 508 2HA GLY 68 2HA GLY 68 12.524 -8.966 5.164 509 HA PRO 69 HA PRO 69 16.845 -10.124 4.468 510 1HB PRO 69 1HB PRO 69 17.137 -11.742 6.650 511 2HB PRO 69 2HB PRO 69 17.583 -10.048 6.648 512 1HG PRO 69 1HG PRO 69 15.232 -11.343 7.886 513 2HG PRO 69 2HG PRO 69 15.917 -9.765 8.218 514 1HD PRO 69 1HD PRO 69 13.554 -10.323 6.691 515 2HD PRO 69 2HD PRO 69 14.305 -8.757 6.926 516 H SER 70 H SER 70 17.898 -12.454 4.463 517 HA SER 70 HA SER 70 15.765 -14.156 3.432 518 1HB SER 70 1HB SER 70 18.602 -13.801 2.371 519 2HB SER 70 2HB SER 70 17.517 -15.068 1.833 520 HG SER 70 HG SER 70 16.185 -13.589 0.844 521 H SER 71 H SER 71 15.547 -15.996 4.647 522 HA SER 71 HA SER 71 15.986 -17.649 5.981 523 1HB SER 71 1HB SER 71 18.367 -17.479 4.272 524 2HB SER 71 2HB SER 71 18.753 -18.180 5.831 525 HG SER 71 HG SER 71 17.116 -19.181 3.750 526 H GLY 72 H GLY 72 16.926 -18.232 8.122 527 1HA GLY 72 1HA GLY 72 18.905 -17.003 9.502 528 2HA GLY 72 2HA GLY 72 17.579 -15.865 9.637 Start of MODEL 18 1 1H GLY 1 H GLY 1 -8.168 -14.665 5.511 2 1HA GLY 1 1HA GLY 1 -6.663 -16.123 4.144 3 2HA GLY 1 2HA GLY 1 -5.336 -15.267 4.904 4 H SER 2 H SER 2 -6.446 -18.188 4.991 5 HA SER 2 HA SER 2 -6.488 -18.322 7.906 6 1HB SER 2 1HB SER 2 -8.281 -19.510 5.891 7 2HB SER 2 2HB SER 2 -7.628 -20.714 6.984 8 HG SER 2 HG SER 2 -8.441 -19.523 8.780 9 H SER 3 H SER 3 -5.870 -20.308 4.911 10 HA SER 3 HA SER 3 -3.711 -21.581 6.384 11 1HB SER 3 1HB SER 3 -5.607 -22.453 4.269 12 2HB SER 3 2HB SER 3 -3.958 -22.990 4.013 13 HG SER 3 HG SER 3 -5.823 -23.846 5.882 14 H GLY 4 H GLY 4 -1.582 -21.221 5.789 15 1HA GLY 4 1HA GLY 4 0.118 -20.843 4.238 16 2HA GLY 4 2HA GLY 4 -1.034 -20.140 3.119 17 H SER 5 H SER 5 0.814 -18.456 3.070 18 HA SER 5 HA SER 5 0.524 -16.642 5.328 19 1HB SER 5 1HB SER 5 2.799 -17.552 3.827 20 2HB SER 5 2HB SER 5 2.621 -15.839 3.507 21 HG SER 5 HG SER 5 2.527 -16.902 6.190 22 H SER 6 H SER 6 -1.155 -15.233 4.880 23 HA SER 6 HA SER 6 -1.070 -14.003 2.236 24 1HB SER 6 1HB SER 6 -3.437 -14.906 3.905 25 2HB SER 6 2HB SER 6 -3.629 -13.643 2.705 26 HG SER 6 HG SER 6 -3.614 -15.119 1.159 27 H GLY 7 H GLY 7 -1.899 -11.712 2.194 28 1HA GLY 7 1HA GLY 7 -2.416 -9.701 3.213 29 2HA GLY 7 2HA GLY 7 -2.044 -10.377 4.786 30 H GLN 8 H GLN 8 -0.151 -10.217 1.684 31 HA GLN 8 HA GLN 8 2.271 -9.900 2.860 32 1HB GLN 8 1HB GLN 8 1.104 -9.443 0.185 33 2HB GLN 8 2HB GLN 8 2.497 -8.426 0.499 34 1HG GLN 8 1HG GLN 8 2.378 -11.470 0.697 35 2HG GLN 8 2HG GLN 8 3.260 -10.531 -0.491 36 1HE2 GLN 8 1HE2 GLN 8 5.023 -9.207 0.196 37 2HE2 GLN 8 2HE2 GLN 8 5.956 -9.615 1.597 38 H LYS 9 H LYS 9 3.728 -7.802 2.540 39 HA LYS 9 HA LYS 9 2.161 -5.533 3.556 40 1HB LYS 9 1HB LYS 9 4.954 -6.431 4.325 41 2HB LYS 9 2HB LYS 9 4.224 -4.919 4.826 42 1HG LYS 9 1HG LYS 9 2.301 -6.972 5.379 43 2HG LYS 9 2HG LYS 9 3.847 -7.576 5.940 44 1HD LYS 9 1HD LYS 9 3.946 -4.970 6.854 45 2HD LYS 9 2HD LYS 9 2.225 -5.288 6.952 46 1HE LYS 9 1HE LYS 9 4.166 -7.349 8.031 47 2HE LYS 9 2HE LYS 9 3.827 -5.918 8.983 48 1HZ LYS 9 1HZ LYS 9 1.845 -6.710 9.494 49 2HZ LYS 9 2HZ LYS 9 1.464 -7.079 7.949 50 3HZ LYS 9 3HZ LYS 9 2.301 -8.144 8.860 51 H VAL 10 H VAL 10 2.654 -3.457 2.750 52 HA VAL 10 HA VAL 10 4.572 -3.442 0.528 53 HB VAL 10 HB VAL 10 2.996 -1.955 -0.673 54 1HG1 VAL 10 1HG1 VAL 10 2.587 -4.829 -0.136 55 2HG1 VAL 10 2HG1 VAL 10 1.185 -3.999 -0.852 56 3HG1 VAL 10 3HG1 VAL 10 2.760 -3.960 -1.679 57 1HG2 VAL 10 1HG2 VAL 10 1.517 -2.180 1.825 58 2HG2 VAL 10 2HG2 VAL 10 1.318 -1.031 0.479 59 3HG2 VAL 10 3HG2 VAL 10 0.511 -2.617 0.423 60 H LYS 11 H LYS 11 5.509 -1.304 0.089 61 HA LYS 11 HA LYS 11 5.253 0.494 2.396 62 1HB LYS 11 1HB LYS 11 7.307 -0.502 2.826 63 2HB LYS 11 2HB LYS 11 7.715 -0.669 1.131 64 1HG LYS 11 1HG LYS 11 8.008 1.784 0.924 65 2HG LYS 11 2HG LYS 11 7.502 2.009 2.586 66 1HD LYS 11 1HD LYS 11 9.715 0.054 2.282 67 2HD LYS 11 2HD LYS 11 10.132 1.666 1.736 68 1HE LYS 11 1HE LYS 11 10.025 2.568 3.860 69 2HE LYS 11 2HE LYS 11 8.659 1.575 4.331 70 1HZ LYS 11 1HZ LYS 11 10.877 1.080 5.377 71 2HZ LYS 11 2HZ LYS 11 10.051 -0.201 4.791 72 3HZ LYS 11 3HZ LYS 11 11.315 0.407 3.956 73 H THR 12 H THR 12 4.885 2.615 1.904 74 HA THR 12 HA THR 12 4.389 3.249 -0.845 75 HB THR 12 HB THR 12 3.462 5.276 0.105 76 HG1 THR 12 1HG THR 12 4.875 4.460 2.538 77 1HG2 THR 12 1HG2 THR 12 1.819 4.185 1.257 78 2HG2 THR 12 2HG2 THR 12 2.854 2.738 1.322 79 3HG2 THR 12 3HG2 THR 12 2.929 3.946 2.627 80 H ILE 13 H ILE 13 5.581 4.383 -2.290 81 HA ILE 13 HA ILE 13 8.252 5.140 -1.350 82 HB ILE 13 HB ILE 13 8.809 5.031 -3.800 83 1HG1 ILE 13 1HG1 ILE 13 6.121 3.638 -3.989 84 2HG1 ILE 13 2HG1 ILE 13 6.481 5.226 -4.636 85 1HG2 ILE 13 1HG2 ILE 13 8.013 2.285 -3.287 86 2HG2 ILE 13 2HG2 ILE 13 9.634 3.016 -3.351 87 3HG2 ILE 13 3HG2 ILE 13 8.699 3.056 -1.837 88 1HD1 ILE 13 1HD1 ILE 13 7.228 4.232 -6.526 89 2HD1 ILE 13 2HD1 ILE 13 8.564 3.531 -5.582 90 3HD1 ILE 13 3HD1 ILE 13 7.047 2.622 -5.789 91 H PHE 14 H PHE 14 5.207 6.420 -1.965 92 HA PHE 14 HA PHE 14 6.374 9.055 -2.261 93 1HB PHE 14 1HB PHE 14 4.250 7.780 -4.089 94 2HB PHE 14 2HB PHE 14 4.629 9.491 -4.108 95 HD1 PHE 14 1HD PHE 14 5.018 6.808 -6.029 96 HD2 PHE 14 2HD PHE 14 7.494 9.638 -4.063 97 HE1 PHE 14 1HE PHE 14 6.834 6.386 -7.710 98 HE2 PHE 14 2HE PHE 14 9.310 9.217 -5.744 99 HZ PHE 14 HZ PHE 14 8.958 7.596 -7.547 100 HA PRO 15 HA PRO 15 3.088 9.978 0.408 101 1HB PRO 15 1HB PRO 15 2.958 12.697 0.166 102 2HB PRO 15 2HB PRO 15 4.142 11.879 1.167 103 1HG PRO 15 1HG PRO 15 4.517 13.177 -1.463 104 2HG PRO 15 2HG PRO 15 5.726 12.741 -0.271 105 1HD PRO 15 1HD PRO 15 5.140 11.349 -2.710 106 2HD PRO 15 2HD PRO 15 6.267 10.851 -1.463 107 H HIS 16 H HIS 16 0.869 10.228 0.602 108 HA HIS 16 HA HIS 16 -0.462 11.320 -1.702 109 1HB HIS 16 1HB HIS 16 0.014 8.926 -2.286 110 2HB HIS 16 2HB HIS 16 -0.962 8.438 -0.915 111 HD1 HIS 16 1HD HIS 16 -3.424 8.154 -1.336 112 HD2 HIS 16 2HD HIS 16 -1.558 10.486 -4.281 113 HE1 HIS 16 1HE HIS 16 -5.188 8.588 -3.127 114 H THR 17 H THR 17 -1.347 12.899 -0.347 115 HA THR 17 HA THR 17 -2.469 12.256 2.179 116 HB THR 17 HB THR 17 -2.804 14.681 0.335 117 HG1 THR 17 1HG THR 17 -0.586 14.111 0.971 118 1HG2 THR 17 1HG2 THR 17 -3.749 14.039 3.076 119 2HG2 THR 17 2HG2 THR 17 -2.753 15.512 2.999 120 3HG2 THR 17 3HG2 THR 17 -4.224 15.380 2.006 121 H ALA 18 H ALA 18 -4.504 11.733 2.820 122 HA ALA 18 HA ALA 18 -6.602 11.807 0.798 123 1HB ALA 18 1HB ALA 18 -5.686 9.332 2.311 124 2HB ALA 18 2HB ALA 18 -7.241 9.453 1.452 125 3HB ALA 18 3HB ALA 18 -5.712 9.575 0.548 126 H GLY 19 H GLY 19 -5.618 13.102 3.489 127 1HA GLY 19 1HA GLY 19 -6.995 12.539 5.690 128 2HA GLY 19 2HA GLY 19 -6.825 14.178 5.094 129 H ASN 20 H ASN 20 -8.500 14.968 3.473 130 HA ASN 20 HA ASN 20 -10.987 14.750 4.496 131 1HB ASN 20 1HB ASN 20 -10.508 15.183 1.514 132 2HB ASN 20 2HB ASN 20 -11.749 15.912 2.514 133 1HD2 ASN 20 1HD2 ASN 20 -8.541 16.074 1.353 134 2HD2 ASN 20 2HD2 ASN 20 -8.027 17.527 2.144 135 H ASN 21 H ASN 21 -9.909 13.344 1.300 136 HA ASN 21 HA ASN 21 -11.997 11.884 0.653 137 1HB ASN 21 1HB ASN 21 -9.185 10.683 0.588 138 2HB ASN 21 2HB ASN 21 -10.485 10.380 -0.547 139 1HD2 ASN 21 1HD2 ASN 21 -7.716 11.471 -0.809 140 2HD2 ASN 21 2HD2 ASN 21 -7.866 12.961 -1.680 141 H LYS 22 H LYS 22 -12.858 9.751 1.161 142 HA LYS 22 HA LYS 22 -11.836 8.659 3.689 143 1HB LYS 22 1HB LYS 22 -14.103 7.883 4.126 144 2HB LYS 22 2HB LYS 22 -14.074 9.619 3.890 145 1HG LYS 22 1HG LYS 22 -15.350 9.511 1.990 146 2HG LYS 22 2HG LYS 22 -14.484 8.121 1.368 147 1HD LYS 22 1HD LYS 22 -16.292 6.862 1.911 148 2HD LYS 22 2HD LYS 22 -15.860 7.090 3.594 149 1HE LYS 22 1HE LYS 22 -17.514 8.664 3.954 150 2HE LYS 22 2HE LYS 22 -17.338 9.374 2.361 151 1HZ LYS 22 1HZ LYS 22 -19.384 7.930 2.962 152 2HZ LYS 22 2HZ LYS 22 -18.746 7.867 1.460 153 3HZ LYS 22 3HZ LYS 22 -18.414 6.686 2.538 154 H THR 23 H THR 23 -12.698 8.072 0.302 155 HA THR 23 HA THR 23 -12.399 5.206 0.598 156 HB THR 23 HB THR 23 -13.123 5.182 -1.715 157 HG1 THR 23 1HG THR 23 -12.863 7.132 -2.953 158 1HG2 THR 23 1HG2 THR 23 -14.757 6.311 0.103 159 2HG2 THR 23 2HG2 THR 23 -14.447 7.766 -0.873 160 3HG2 THR 23 3HG2 THR 23 -15.172 6.326 -1.628 161 H LEU 24 H LEU 24 -10.228 7.638 0.786 162 HA LEU 24 HA LEU 24 -8.222 6.059 -0.669 163 1HB LEU 24 1HB LEU 24 -8.337 9.056 -0.302 164 2HB LEU 24 2HB LEU 24 -6.998 8.175 -1.010 165 HG LEU 24 HG LEU 24 -9.792 8.055 -2.158 166 1HD1 LEU 24 1HD1 LEU 24 -9.203 10.386 -2.149 167 2HD1 LEU 24 2HD1 LEU 24 -7.587 10.029 -2.803 168 3HD1 LEU 24 3HD1 LEU 24 -9.032 9.757 -3.805 169 1HD2 LEU 24 1HD2 LEU 24 -7.280 6.781 -2.774 170 2HD2 LEU 24 2HD2 LEU 24 -8.892 6.521 -3.483 171 3HD2 LEU 24 3HD2 LEU 24 -7.820 7.779 -4.145 172 H LEU 25 H LEU 25 -6.274 5.624 0.408 173 HA LEU 25 HA LEU 25 -6.461 5.975 3.282 174 1HB LEU 25 1HB LEU 25 -5.929 3.798 1.986 175 2HB LEU 25 2HB LEU 25 -4.320 4.470 1.810 176 HG LEU 25 HG LEU 25 -4.153 4.641 4.293 177 1HD1 LEU 25 1HD1 LEU 25 -5.891 4.359 5.642 178 2HD1 LEU 25 2HD1 LEU 25 -6.929 4.219 4.202 179 3HD1 LEU 25 3HD1 LEU 25 -6.239 2.757 4.948 180 1HD2 LEU 25 1HD2 LEU 25 -4.716 1.790 4.031 181 2HD2 LEU 25 2HD2 LEU 25 -3.801 2.441 2.650 182 3HD2 LEU 25 3HD2 LEU 25 -3.175 2.639 4.304 183 H SER 26 H SER 26 -5.392 7.531 4.382 184 HA SER 26 HA SER 26 -3.541 9.127 2.846 185 1HB SER 26 1HB SER 26 -3.876 10.836 4.483 186 2HB SER 26 2HB SER 26 -5.455 10.124 4.218 187 HG SER 26 HG SER 26 -4.288 10.433 6.550 188 H PHE 27 H PHE 27 -1.348 8.858 3.052 189 HA PHE 27 HA PHE 27 -0.272 8.100 5.619 190 1HB PHE 27 1HB PHE 27 1.037 6.223 4.378 191 2HB PHE 27 2HB PHE 27 -0.662 5.896 4.657 192 HD1 PHE 27 1HD PHE 27 -2.122 5.487 2.856 193 HD2 PHE 27 2HD PHE 27 1.741 7.067 2.090 194 HE1 PHE 27 1HE PHE 27 -2.452 5.101 0.398 195 HE2 PHE 27 2HE PHE 27 1.412 6.681 -0.368 196 HZ PHE 27 HZ PHE 27 -0.681 5.703 -1.185 197 H ALA 28 H ALA 28 2.317 7.762 5.195 198 HA ALA 28 HA ALA 28 3.112 9.893 3.335 199 1HB ALA 28 1HB ALA 28 4.447 10.901 4.961 200 2HB ALA 28 2HB ALA 28 3.034 10.396 5.919 201 3HB ALA 28 3HB ALA 28 4.527 9.429 5.957 202 H GLN 29 H GLN 29 5.252 9.638 2.410 203 HA GLN 29 HA GLN 29 5.800 7.141 1.552 204 1HB GLN 29 1HB GLN 29 6.717 9.221 0.561 205 2HB GLN 29 2HB GLN 29 7.767 9.439 1.947 206 1HG GLN 29 1HG GLN 29 8.634 7.011 1.366 207 2HG GLN 29 2HG GLN 29 7.901 7.299 -0.199 208 1HE2 GLN 29 1HE2 GLN 29 10.456 6.883 -0.302 209 2HE2 GLN 29 2HE2 GLN 29 11.395 8.319 -0.543 210 H GLY 30 H GLY 30 6.631 5.303 2.454 211 1HA GLY 30 1HA GLY 30 8.467 4.329 3.685 212 2HA GLY 30 2HA GLY 30 8.315 5.615 4.865 213 H ASP 31 H ASP 31 5.356 5.656 4.911 214 HA ASP 31 HA ASP 31 4.877 4.037 6.986 215 1HB ASP 31 1HB ASP 31 3.031 5.022 4.775 216 2HB ASP 31 2HB ASP 31 2.402 4.119 6.139 217 H VAL 32 H VAL 32 3.690 1.942 7.201 218 HA VAL 32 HA VAL 32 3.954 0.278 4.792 219 HB VAL 32 HB VAL 32 4.390 -0.388 7.707 220 1HG1 VAL 32 1HG1 VAL 32 5.173 -2.616 6.328 221 2HG1 VAL 32 2HG1 VAL 32 3.602 -2.426 7.143 222 3HG1 VAL 32 3HG1 VAL 32 3.742 -2.111 5.397 223 1HG2 VAL 32 1HG2 VAL 32 6.294 -0.535 5.346 224 2HG2 VAL 32 2HG2 VAL 32 6.249 0.785 6.539 225 3HG2 VAL 32 3HG2 VAL 32 6.674 -0.865 7.054 226 H LEU 33 H LEU 33 2.160 -0.853 4.127 227 HA LEU 33 HA LEU 33 -0.154 -0.735 5.932 228 1HB LEU 33 1HB LEU 33 -0.662 -0.766 3.027 229 2HB LEU 33 2HB LEU 33 -1.518 0.047 4.323 230 HG LEU 33 HG LEU 33 1.187 1.026 3.429 231 1HD1 LEU 33 1HD1 LEU 33 -1.473 1.709 2.150 232 2HD1 LEU 33 2HD1 LEU 33 0.058 2.573 1.872 233 3HD1 LEU 33 3HD1 LEU 33 -0.103 0.868 1.385 234 1HD2 LEU 33 1HD2 LEU 33 0.011 1.812 5.562 235 2HD2 LEU 33 2HD2 LEU 33 0.590 3.058 4.431 236 3HD2 LEU 33 3HD2 LEU 33 -1.138 2.634 4.480 237 H THR 34 H THR 34 -1.453 -2.596 6.047 238 HA THR 34 HA THR 34 -0.130 -4.983 5.004 239 HB THR 34 HB THR 34 -2.350 -4.563 7.077 240 HG1 THR 34 1HG THR 34 -0.127 -3.750 7.540 241 1HG2 THR 34 1HG2 THR 34 -2.526 -6.839 7.129 242 2HG2 THR 34 2HG2 THR 34 -1.384 -6.961 5.770 243 3HG2 THR 34 3HG2 THR 34 -0.778 -6.951 7.443 244 H LEU 35 H LEU 35 -0.806 -6.034 3.250 245 HA LEU 35 HA LEU 35 -3.079 -5.089 1.850 246 1HB LEU 35 1HB LEU 35 -1.171 -7.386 1.467 247 2HB LEU 35 2HB LEU 35 -2.542 -7.131 0.406 248 HG LEU 35 HG LEU 35 -1.165 -4.645 0.604 249 1HD1 LEU 35 1HD1 LEU 35 0.961 -5.187 0.967 250 2HD1 LEU 35 2HD1 LEU 35 0.623 -6.929 0.824 251 3HD1 LEU 35 3HD1 LEU 35 0.947 -5.963 -0.635 252 1HD2 LEU 35 1HD2 LEU 35 -0.688 -5.225 -1.865 253 2HD2 LEU 35 2HD2 LEU 35 -1.653 -6.687 -1.553 254 3HD2 LEU 35 3HD2 LEU 35 -2.380 -5.077 -1.334 255 H LEU 36 H LEU 36 -5.133 -5.987 1.595 256 HA LEU 36 HA LEU 36 -5.741 -8.106 3.536 257 1HB LEU 36 1HB LEU 36 -7.621 -6.025 2.420 258 2HB LEU 36 2HB LEU 36 -7.956 -7.188 3.688 259 HG LEU 36 HG LEU 36 -5.972 -4.902 3.870 260 1HD1 LEU 36 1HD1 LEU 36 -8.311 -4.151 3.818 261 2HD1 LEU 36 2HD1 LEU 36 -8.684 -5.230 5.183 262 3HD1 LEU 36 3HD1 LEU 36 -7.554 -3.873 5.404 263 1HD2 LEU 36 1HD2 LEU 36 -6.197 -7.313 5.405 264 2HD2 LEU 36 2HD2 LEU 36 -5.061 -5.956 5.594 265 3HD2 LEU 36 3HD2 LEU 36 -6.634 -5.922 6.426 266 H ILE 37 H ILE 37 -5.799 -7.047 0.171 267 HA ILE 37 HA ILE 37 -7.214 -9.531 -0.504 268 HB ILE 37 HB ILE 37 -7.644 -8.325 -2.694 269 1HG1 ILE 37 1HG1 ILE 37 -6.900 -5.895 -1.039 270 2HG1 ILE 37 2HG1 ILE 37 -5.956 -6.540 -2.368 271 1HG2 ILE 37 1HG2 ILE 37 -9.641 -8.397 -1.710 272 2HG2 ILE 37 2HG2 ILE 37 -8.952 -8.078 -0.099 273 3HG2 ILE 37 3HG2 ILE 37 -9.332 -6.723 -1.190 274 1HD1 ILE 37 1HD1 ILE 37 -8.160 -4.724 -2.506 275 2HD1 ILE 37 2HD1 ILE 37 -7.236 -5.421 -3.859 276 3HD1 ILE 37 3HD1 ILE 37 -8.694 -6.247 -3.258 277 HA PRO 38 HA PRO 38 -3.467 -10.802 -2.253 278 1HB PRO 38 1HB PRO 38 -4.340 -12.988 -3.640 279 2HB PRO 38 2HB PRO 38 -3.994 -13.019 -1.923 280 1HG PRO 38 1HG PRO 38 -6.618 -12.989 -3.284 281 2HG PRO 38 2HG PRO 38 -6.242 -13.442 -1.633 282 1HD PRO 38 1HD PRO 38 -7.430 -10.983 -2.511 283 2HD PRO 38 2HD PRO 38 -6.949 -11.389 -0.876 284 H GLU 39 H GLU 39 -6.224 -10.142 -4.235 285 HA GLU 39 HA GLU 39 -4.519 -9.990 -6.550 286 1HB GLU 39 1HB GLU 39 -7.392 -10.271 -6.028 287 2HB GLU 39 2HB GLU 39 -7.084 -9.038 -7.235 288 1HG GLU 39 1HG GLU 39 -7.274 -11.104 -8.446 289 2HG GLU 39 2HG GLU 39 -5.565 -10.715 -8.433 290 H GLU 40 H GLU 40 -5.726 -7.852 -7.968 291 HA GLU 40 HA GLU 40 -5.251 -5.586 -6.206 292 1HB GLU 40 1HB GLU 40 -4.006 -4.477 -8.113 293 2HB GLU 40 2HB GLU 40 -3.169 -5.838 -7.393 294 1HG GLU 40 1HG GLU 40 -4.909 -6.065 -9.892 295 2HG GLU 40 2HG GLU 40 -3.176 -5.809 -9.943 296 H LYS 41 H LYS 41 -6.056 -3.462 -7.272 297 HA LYS 41 HA LYS 41 -8.647 -4.057 -8.436 298 1HB LYS 41 1HB LYS 41 -7.980 -2.406 -6.432 299 2HB LYS 41 2HB LYS 41 -7.799 -1.277 -7.759 300 1HG LYS 41 1HG LYS 41 -10.126 -1.986 -8.562 301 2HG LYS 41 2HG LYS 41 -10.290 -2.904 -7.078 302 1HD LYS 41 1HD LYS 41 -10.332 -0.973 -5.719 303 2HD LYS 41 2HD LYS 41 -9.485 0.006 -6.900 304 1HE LYS 41 1HE LYS 41 -11.754 0.763 -6.983 305 2HE LYS 41 2HE LYS 41 -11.557 -0.230 -8.413 306 1HZ LYS 41 1HZ LYS 41 -12.357 -2.070 -6.780 307 2HZ LYS 41 2HZ LYS 41 -13.027 -0.809 -5.986 308 3HZ LYS 41 3HZ LYS 41 -13.431 -1.103 -7.541 309 H ASP 42 H ASP 42 -5.959 -4.307 -9.889 310 HA ASP 42 HA ASP 42 -5.396 -4.098 -11.990 311 1HB ASP 42 1HB ASP 42 -8.063 -3.475 -12.184 312 2HB ASP 42 2HB ASP 42 -7.362 -1.960 -12.718 313 H GLY 43 H GLY 43 -4.490 -2.384 -9.750 314 1HA GLY 43 1HA GLY 43 -2.645 -0.780 -10.614 315 2HA GLY 43 2HA GLY 43 -4.022 0.225 -11.019 316 H TRP 44 H TRP 44 -5.680 -0.723 -8.708 317 HA TRP 44 HA TRP 44 -4.235 0.746 -6.613 318 1HB TRP 44 1HB TRP 44 -7.223 0.433 -6.921 319 2HB TRP 44 2HB TRP 44 -6.372 1.444 -5.770 320 HD1 TRP 44 HD TRP 44 -6.731 1.226 -9.660 321 HE1 TRP 44 1HE TRP 44 -6.647 3.637 -10.730 322 HE3 TRP 44 3HE TRP 44 -5.848 3.700 -5.306 323 HZ2 TRP 44 2HZ TRP 44 -6.229 6.249 -9.659 324 HZ3 TRP 44 3HZ TRP 44 -5.615 6.180 -5.406 325 HH2 TRP 44 HH TRP 44 -5.792 7.451 -7.486 326 H LEU 45 H LEU 45 -4.005 -0.239 -4.588 327 HA LEU 45 HA LEU 45 -5.163 -2.932 -4.376 328 1HB LEU 45 1HB LEU 45 -2.385 -1.948 -3.941 329 2HB LEU 45 2HB LEU 45 -2.994 -3.186 -2.860 330 HG LEU 45 HG LEU 45 -1.696 -4.055 -4.798 331 1HD1 LEU 45 1HD1 LEU 45 -3.401 -5.807 -5.455 332 2HD1 LEU 45 2HD1 LEU 45 -3.122 -5.597 -3.710 333 3HD1 LEU 45 3HD1 LEU 45 -4.577 -4.906 -4.468 334 1HD2 LEU 45 1HD2 LEU 45 -2.631 -2.296 -6.395 335 2HD2 LEU 45 2HD2 LEU 45 -2.459 -3.955 -7.018 336 3HD2 LEU 45 3HD2 LEU 45 -4.061 -3.347 -6.534 337 H TYR 46 H TYR 46 -5.807 -3.602 -2.240 338 HA TYR 46 HA TYR 46 -6.344 -1.289 -0.513 339 1HB TYR 46 1HB TYR 46 -8.124 -2.917 -1.648 340 2HB TYR 46 2HB TYR 46 -7.571 -4.103 -0.483 341 HD1 TYR 46 1HD TYR 46 -8.648 -4.249 1.578 342 HD2 TYR 46 2HD TYR 46 -8.867 -0.585 -0.620 343 HE1 TYR 46 1HE TYR 46 -10.268 -3.307 3.296 344 HE2 TYR 46 2HE TYR 46 -10.486 0.345 1.106 345 HH TYR 46 HH TYR 46 -11.675 -0.076 2.865 346 H GLY 47 H GLY 47 -5.737 -1.291 1.648 347 1HA GLY 47 1HA GLY 47 -4.715 -3.727 2.853 348 2HA GLY 47 2HA GLY 47 -3.517 -2.486 2.543 349 H GLU 48 H GLU 48 -3.561 -2.859 5.091 350 HA GLU 48 HA GLU 48 -5.512 -0.975 6.167 351 1HB GLU 48 1HB GLU 48 -5.734 -3.295 7.048 352 2HB GLU 48 2HB GLU 48 -4.068 -3.254 7.593 353 1HG GLU 48 1HG GLU 48 -4.840 -1.045 8.866 354 2HG GLU 48 2HG GLU 48 -6.447 -1.712 8.658 355 H HIS 49 H HIS 49 -4.767 0.805 7.345 356 HA HIS 49 HA HIS 49 -1.988 1.385 7.030 357 1HB HIS 49 1HB HIS 49 -4.047 2.962 6.830 358 2HB HIS 49 2HB HIS 49 -3.961 3.055 8.578 359 HD1 HIS 49 1HD HIS 49 -1.967 4.356 9.631 360 HD2 HIS 49 2HD HIS 49 -1.918 4.236 5.438 361 HE1 HIS 49 1HE HIS 49 -0.227 6.068 8.887 362 H ASP 50 H ASP 50 -0.384 1.455 8.607 363 HA ASP 50 HA ASP 50 -1.136 0.128 11.065 364 1HB ASP 50 1HB ASP 50 0.859 -0.538 9.502 365 2HB ASP 50 2HB ASP 50 1.680 0.857 10.173 366 H THR 51 H THR 51 -2.120 2.690 11.087 367 HA THR 51 HA THR 51 -0.531 3.958 13.123 368 HB THR 51 HB THR 51 -0.208 4.731 10.369 369 HG1 THR 51 1HG THR 51 1.162 6.302 11.596 370 1HG2 THR 51 1HG2 THR 51 -2.122 6.233 10.479 371 2HG2 THR 51 2HG2 THR 51 -1.702 6.732 12.135 372 3HG2 THR 51 3HG2 THR 51 -0.676 7.229 10.768 373 H THR 52 H THR 52 -3.355 4.103 10.889 374 HA THR 52 HA THR 52 -4.864 5.315 13.107 375 HB THR 52 HB THR 52 -5.058 6.806 11.294 376 HG1 THR 52 1HG THR 52 -7.161 6.075 10.256 377 1HG2 THR 52 1HG2 THR 52 -3.801 5.477 9.598 378 2HG2 THR 52 2HG2 THR 52 -5.173 4.353 9.459 379 3HG2 THR 52 3HG2 THR 52 -5.348 6.041 8.922 380 H LYS 53 H LYS 53 -4.359 2.433 11.248 381 HA LYS 53 HA LYS 53 -5.249 0.416 11.546 382 1HB LYS 53 1HB LYS 53 -7.340 1.586 13.394 383 2HB LYS 53 2HB LYS 53 -6.816 -0.082 13.280 384 1HG LYS 53 1HG LYS 53 -4.887 2.161 14.008 385 2HG LYS 53 2HG LYS 53 -5.841 1.333 15.222 386 1HD LYS 53 1HD LYS 53 -4.582 -0.628 13.471 387 2HD LYS 53 2HD LYS 53 -3.368 0.483 14.074 388 1HE LYS 53 1HE LYS 53 -3.917 -0.001 16.377 389 2HE LYS 53 2HE LYS 53 -5.409 -0.806 15.932 390 1HZ LYS 53 1HZ LYS 53 -2.842 -1.888 16.106 391 2HZ LYS 53 2HZ LYS 53 -4.256 -2.661 15.841 392 3HZ LYS 53 3HZ LYS 53 -3.389 -2.089 14.581 393 H ALA 54 H ALA 54 -6.588 3.136 10.165 394 HA ALA 54 HA ALA 54 -9.017 1.850 9.246 395 1HB ALA 54 1HB ALA 54 -8.496 4.402 9.879 396 2HB ALA 54 2HB ALA 54 -8.032 4.464 8.162 397 3HB ALA 54 3HB ALA 54 -9.678 3.966 8.621 398 H ARG 55 H ARG 55 -9.434 1.323 7.032 399 HA ARG 55 HA ARG 55 -6.961 0.989 5.534 400 1HB ARG 55 1HB ARG 55 -9.560 -0.609 5.288 401 2HB ARG 55 2HB ARG 55 -8.072 -0.940 4.424 402 1HG ARG 55 1HG ARG 55 -7.186 -2.066 6.191 403 2HG ARG 55 2HG ARG 55 -7.564 -0.764 7.302 404 1HD ARG 55 1HD ARG 55 -10.081 -1.900 6.706 405 2HD ARG 55 2HD ARG 55 -9.012 -3.283 6.827 406 HE ARG 55 HE ARG 55 -8.511 -1.462 9.009 407 1HH1 ARG 55 2HH2 ARG 55 -10.839 -3.849 7.885 408 2HH1 ARG 55 1HH2 ARG 55 -11.391 -4.248 9.477 409 1HH2 ARG 55 2HH1 ARG 55 -9.238 -1.989 11.110 410 2HH2 ARG 55 1HH1 ARG 55 -10.474 -3.183 11.324 411 H GLY 56 H GLY 56 -6.876 1.760 3.383 412 1HA GLY 56 1HA GLY 56 -9.364 2.921 2.297 413 2HA GLY 56 2HA GLY 56 -7.882 3.853 2.366 414 H TRP 57 H TRP 57 -8.306 3.926 -0.068 415 HA TRP 57 HA TRP 57 -7.299 1.473 -1.337 416 1HB TRP 57 1HB TRP 57 -9.187 3.612 -2.291 417 2HB TRP 57 2HB TRP 57 -8.321 2.589 -3.421 418 HD1 TRP 57 HD TRP 57 -11.326 2.542 -1.122 419 HE1 TRP 57 1HE TRP 57 -12.634 0.252 -1.232 420 HE3 TRP 57 3HE TRP 57 -7.770 0.035 -3.754 421 HZ2 TRP 57 2HZ TRP 57 -12.047 -2.293 -2.381 422 HZ3 TRP 57 3HZ TRP 57 -8.217 -2.350 -4.329 423 HH2 TRP 57 HH TRP 57 -10.268 -3.513 -3.687 424 H PHE 58 H PHE 58 -5.389 1.620 -2.518 425 HA PHE 58 HA PHE 58 -4.348 4.287 -3.048 426 1HB PHE 58 1HB PHE 58 -2.231 3.700 -1.945 427 2HB PHE 58 2HB PHE 58 -3.510 3.356 -0.797 428 HD1 PHE 58 1HD PHE 58 -1.505 1.670 -3.453 429 HD2 PHE 58 2HD PHE 58 -3.555 1.289 0.243 430 HE1 PHE 58 1HE PHE 58 -0.677 -0.689 -3.237 431 HE2 PHE 58 2HE PHE 58 -2.726 -1.070 0.459 432 HZ PHE 58 HZ PHE 58 -1.297 -2.031 -1.283 433 HA PRO 59 HA PRO 59 -3.026 2.326 -6.677 434 1HB PRO 59 1HB PRO 59 -1.080 4.040 -7.540 435 2HB PRO 59 2HB PRO 59 -2.791 4.340 -7.770 436 1HG PRO 59 1HG PRO 59 -0.931 5.597 -5.846 437 2HG PRO 59 2HG PRO 59 -2.502 6.160 -6.383 438 1HD PRO 59 1HD PRO 59 -1.892 4.909 -3.875 439 2HD PRO 59 2HD PRO 59 -3.479 5.366 -4.459 440 H SER 60 H SER 60 -2.048 0.428 -6.917 441 HA SER 60 HA SER 60 -0.131 -0.410 -5.214 442 1HB SER 60 1HB SER 60 -0.576 -2.292 -6.376 443 2HB SER 60 2HB SER 60 -1.370 -1.351 -7.623 444 HG SER 60 HG SER 60 1.425 -2.073 -7.469 445 H SER 61 H SER 61 0.167 1.796 -7.923 446 HA SER 61 HA SER 61 2.894 1.351 -8.419 447 1HB SER 61 1HB SER 61 0.770 3.064 -9.401 448 2HB SER 61 2HB SER 61 2.195 4.041 -9.108 449 HG SER 61 HG SER 61 2.603 3.306 -11.128 450 H TYR 62 H TYR 62 1.021 3.286 -6.102 451 HA TYR 62 HA TYR 62 3.329 4.848 -5.323 452 1HB TYR 62 1HB TYR 62 0.361 4.571 -4.751 453 2HB TYR 62 2HB TYR 62 1.326 5.282 -3.473 454 HD1 TYR 62 1HD TYR 62 1.230 5.632 -7.218 455 HD2 TYR 62 2HD TYR 62 1.166 7.587 -3.413 456 HE1 TYR 62 1HE TYR 62 1.106 7.893 -8.374 457 HE2 TYR 62 2HE TYR 62 1.042 9.842 -4.582 458 HH TYR 62 HH TYR 62 1.747 10.746 -6.824 459 H THR 63 H THR 63 2.816 1.698 -4.963 460 HA THR 63 HA THR 63 4.045 1.668 -2.326 461 HB THR 63 HB THR 63 2.363 -0.209 -1.708 462 HG1 THR 63 1HG THR 63 0.933 1.236 -3.819 463 1HG2 THR 63 1HG2 THR 63 1.020 2.487 -2.212 464 2HG2 THR 63 2HG2 THR 63 0.664 1.317 -0.919 465 3HG2 THR 63 3HG2 THR 63 2.182 2.246 -0.885 466 H LYS 64 H LYS 64 5.249 -0.256 -1.882 467 HA LYS 64 HA LYS 64 5.562 -2.004 -4.208 468 1HB LYS 64 1HB LYS 64 7.880 -0.773 -2.690 469 2HB LYS 64 2HB LYS 64 7.983 -1.882 -4.043 470 1HG LYS 64 1HG LYS 64 6.716 -0.183 -5.452 471 2HG LYS 64 2HG LYS 64 6.798 0.933 -4.104 472 1HD LYS 64 1HD LYS 64 8.637 1.426 -5.637 473 2HD LYS 64 2HD LYS 64 9.306 0.785 -4.149 474 1HE LYS 64 1HE LYS 64 9.619 -1.424 -5.155 475 2HE LYS 64 2HE LYS 64 8.733 -0.955 -6.592 476 1HZ LYS 64 1HZ LYS 64 11.327 -0.822 -6.452 477 2HZ LYS 64 2HZ LYS 64 10.467 0.236 -7.352 478 3HZ LYS 64 3HZ LYS 64 11.011 0.673 -5.875 479 H LEU 65 H LEU 65 6.447 -4.133 -3.667 480 HA LEU 65 HA LEU 65 5.369 -5.069 -1.224 481 1HB LEU 65 1HB LEU 65 6.973 -6.308 -3.447 482 2HB LEU 65 2HB LEU 65 6.564 -7.208 -2.000 483 HG LEU 65 HG LEU 65 4.983 -6.717 -4.340 484 1HD1 LEU 65 1HD1 LEU 65 4.093 -8.212 -1.879 485 2HD1 LEU 65 2HD1 LEU 65 3.743 -8.551 -3.591 486 3HD1 LEU 65 3HD1 LEU 65 5.377 -8.834 -2.944 487 1HD2 LEU 65 1HD2 LEU 65 3.620 -5.829 -1.785 488 2HD2 LEU 65 2HD2 LEU 65 4.152 -4.742 -3.089 489 3HD2 LEU 65 3HD2 LEU 65 2.895 -5.961 -3.405 490 H LEU 66 H LEU 66 6.305 -5.390 0.747 491 HA LEU 66 HA LEU 66 8.667 -4.103 1.376 492 1HB LEU 66 1HB LEU 66 7.119 -6.280 2.774 493 2HB LEU 66 2HB LEU 66 8.519 -5.499 3.483 494 HG LEU 66 HG LEU 66 5.754 -4.557 3.228 495 1HD1 LEU 66 1HD1 LEU 66 7.382 -3.007 5.003 496 2HD1 LEU 66 2HD1 LEU 66 6.113 -4.195 5.385 497 3HD1 LEU 66 3HD1 LEU 66 7.800 -4.728 5.182 498 1HD2 LEU 66 1HD2 LEU 66 7.988 -2.595 2.637 499 2HD2 LEU 66 2HD2 LEU 66 6.743 -3.143 1.489 500 3HD2 LEU 66 3HD2 LEU 66 6.278 -2.193 2.921 501 H SER 67 H SER 67 10.599 -5.333 2.502 502 HA SER 67 HA SER 67 11.223 -7.752 1.066 503 1HB SER 67 1HB SER 67 13.373 -6.919 0.244 504 2HB SER 67 2HB SER 67 12.080 -5.913 -0.379 505 HG SER 67 HG SER 67 12.548 -4.436 1.485 506 H GLY 68 H GLY 68 10.921 -8.586 3.293 507 1HA GLY 68 1HA GLY 68 12.843 -7.672 5.293 508 2HA GLY 68 2HA GLY 68 11.511 -8.788 5.521 509 HA PRO 69 HA PRO 69 15.046 -11.507 5.324 510 1HB PRO 69 1HB PRO 69 14.148 -13.319 7.163 511 2HB PRO 69 2HB PRO 69 15.131 -11.931 7.586 512 1HG PRO 69 1HG PRO 69 12.234 -12.345 8.001 513 2HG PRO 69 2HG PRO 69 13.300 -11.188 8.775 514 1HD PRO 69 1HD PRO 69 11.409 -10.651 6.685 515 2HD PRO 69 2HD PRO 69 12.555 -9.521 7.378 516 H SER 70 H SER 70 15.385 -13.830 4.751 517 HA SER 70 HA SER 70 13.025 -14.663 3.250 518 1HB SER 70 1HB SER 70 14.819 -13.832 1.750 519 2HB SER 70 2HB SER 70 15.960 -14.953 2.466 520 HG SER 70 HG SER 70 13.572 -16.113 1.486 521 H SER 71 H SER 71 12.186 -16.383 4.395 522 HA SER 71 HA SER 71 14.077 -18.487 5.053 523 1HB SER 71 1HB SER 71 13.481 -17.077 7.102 524 2HB SER 71 2HB SER 71 11.827 -17.628 6.921 525 HG SER 71 HG SER 71 12.734 -19.873 7.032 526 H GLY 72 H GLY 72 10.541 -17.598 5.104 527 1HA GLY 72 1HA GLY 72 9.953 -19.777 3.277 528 2HA GLY 72 2HA GLY 72 9.320 -19.971 4.900 Start of MODEL 19 1 1H GLY 1 H GLY 1 1.250 -6.005 12.388 2 1HA GLY 1 1HA GLY 1 1.859 -8.192 14.287 3 2HA GLY 1 2HA GLY 1 0.242 -7.648 13.886 4 H SER 2 H SER 2 3.170 -9.295 12.643 5 HA SER 2 HA SER 2 1.884 -9.930 10.179 6 1HB SER 2 1HB SER 2 4.255 -9.621 10.071 7 2HB SER 2 2HB SER 2 4.542 -10.666 11.448 8 HG SER 2 HG SER 2 3.685 -11.435 8.797 9 H SER 3 H SER 3 0.378 -11.546 10.011 10 HA SER 3 HA SER 3 0.929 -14.059 11.210 11 1HB SER 3 1HB SER 3 -0.775 -12.186 12.618 12 2HB SER 3 2HB SER 3 -1.755 -13.531 12.070 13 HG SER 3 HG SER 3 -0.902 -14.082 14.101 14 H GLY 4 H GLY 4 -0.580 -15.748 10.390 15 1HA GLY 4 1HA GLY 4 -2.207 -16.553 8.988 16 2HA GLY 4 2HA GLY 4 -2.547 -14.932 8.417 17 H SER 5 H SER 5 -2.205 -17.300 6.746 18 HA SER 5 HA SER 5 0.408 -17.215 5.668 19 1HB SER 5 1HB SER 5 -2.107 -18.712 5.213 20 2HB SER 5 2HB SER 5 -1.189 -18.436 3.746 21 HG SER 5 HG SER 5 -0.430 -19.874 6.111 22 H SER 6 H SER 6 -2.355 -15.201 5.430 23 HA SER 6 HA SER 6 -1.293 -14.100 2.949 24 1HB SER 6 1HB SER 6 -4.175 -14.598 3.749 25 2HB SER 6 2HB SER 6 -3.785 -13.330 2.605 26 HG SER 6 HG SER 6 -2.603 -15.869 2.128 27 H GLY 7 H GLY 7 -1.280 -11.774 2.823 28 1HA GLY 7 1HA GLY 7 -2.319 -9.762 3.954 29 2HA GLY 7 2HA GLY 7 -1.700 -10.462 5.437 30 H GLN 8 H GLN 8 -0.335 -10.112 2.080 31 HA GLN 8 HA GLN 8 2.243 -9.756 2.930 32 1HB GLN 8 1HB GLN 8 0.719 -9.426 0.432 33 2HB GLN 8 2HB GLN 8 2.064 -8.307 0.535 34 1HG GLN 8 1HG GLN 8 2.731 -10.469 -0.521 35 2HG GLN 8 2HG GLN 8 3.642 -10.148 0.941 36 1HE2 GLN 8 1HE2 GLN 8 3.950 -11.870 2.109 37 2HE2 GLN 8 2HE2 GLN 8 2.848 -13.179 2.375 38 H LYS 9 H LYS 9 3.627 -7.741 2.767 39 HA LYS 9 HA LYS 9 2.070 -5.399 3.621 40 1HB LYS 9 1HB LYS 9 4.789 -6.322 4.599 41 2HB LYS 9 2HB LYS 9 4.024 -4.808 5.035 42 1HG LYS 9 1HG LYS 9 2.037 -6.777 5.501 43 2HG LYS 9 2HG LYS 9 3.524 -7.502 6.078 44 1HD LYS 9 1HD LYS 9 3.713 -4.889 7.050 45 2HD LYS 9 2HD LYS 9 1.995 -5.215 7.176 46 1HE LYS 9 1HE LYS 9 4.108 -7.154 8.217 47 2HE LYS 9 2HE LYS 9 3.434 -5.877 9.210 48 1HZ LYS 9 1HZ LYS 9 2.357 -8.313 8.855 49 2HZ LYS 9 2HZ LYS 9 1.569 -7.015 9.456 50 3HZ LYS 9 3HZ LYS 9 1.438 -7.388 7.872 51 H VAL 10 H VAL 10 2.672 -3.370 2.780 52 HA VAL 10 HA VAL 10 4.761 -3.470 0.723 53 HB VAL 10 HB VAL 10 3.301 -1.993 -0.652 54 1HG1 VAL 10 1HG1 VAL 10 3.539 -4.438 -1.062 55 2HG1 VAL 10 2HG1 VAL 10 2.093 -4.716 -0.064 56 3HG1 VAL 10 3HG1 VAL 10 1.964 -3.789 -1.578 57 1HG2 VAL 10 1HG2 VAL 10 0.952 -2.924 0.987 58 2HG2 VAL 10 2HG2 VAL 10 1.829 -1.441 1.433 59 3HG2 VAL 10 3HG2 VAL 10 1.065 -1.575 -0.169 60 H LYS 11 H LYS 11 5.758 -1.359 0.278 61 HA LYS 11 HA LYS 11 5.392 0.482 2.539 62 1HB LYS 11 1HB LYS 11 7.466 -0.506 2.957 63 2HB LYS 11 2HB LYS 11 7.894 -0.592 1.261 64 1HG LYS 11 1HG LYS 11 8.084 1.888 1.161 65 2HG LYS 11 2HG LYS 11 7.595 2.007 2.840 66 1HD LYS 11 1HD LYS 11 9.878 0.157 2.374 67 2HD LYS 11 2HD LYS 11 10.218 1.825 1.960 68 1HE LYS 11 1HE LYS 11 10.081 2.549 4.152 69 2HE LYS 11 2HE LYS 11 8.785 1.440 4.553 70 1HZ LYS 11 1HZ LYS 11 11.082 -0.025 3.975 71 2HZ LYS 11 2HZ LYS 11 11.474 1.132 5.058 72 3HZ LYS 11 3HZ LYS 11 10.273 0.076 5.390 73 H THR 12 H THR 12 4.995 2.599 2.044 74 HA THR 12 HA THR 12 4.489 3.215 -0.710 75 HB THR 12 HB THR 12 3.639 5.322 0.276 76 HG1 THR 12 1HG THR 12 4.298 5.812 2.408 77 1HG2 THR 12 1HG2 THR 12 1.891 3.904 0.834 78 2HG2 THR 12 2HG2 THR 12 2.981 2.692 1.549 79 3HG2 THR 12 3HG2 THR 12 2.515 4.132 2.485 80 H ILE 13 H ILE 13 5.666 4.363 -2.153 81 HA ILE 13 HA ILE 13 8.329 5.143 -1.221 82 HB ILE 13 HB ILE 13 8.787 5.159 -3.728 83 1HG1 ILE 13 1HG1 ILE 13 6.239 3.519 -3.810 84 2HG1 ILE 13 2HG1 ILE 13 6.362 5.173 -4.376 85 1HG2 ILE 13 1HG2 ILE 13 9.732 3.468 -2.349 86 2HG2 ILE 13 2HG2 ILE 13 8.174 2.620 -2.203 87 3HG2 ILE 13 3HG2 ILE 13 9.024 2.655 -3.766 88 1HD1 ILE 13 1HD1 ILE 13 8.484 4.133 -5.710 89 2HD1 ILE 13 2HD1 ILE 13 7.487 2.666 -5.567 90 3HD1 ILE 13 3HD1 ILE 13 6.831 4.112 -6.371 91 H PHE 14 H PHE 14 5.239 6.391 -1.933 92 HA PHE 14 HA PHE 14 6.384 9.058 -2.058 93 1HB PHE 14 1HB PHE 14 4.219 7.933 -3.935 94 2HB PHE 14 2HB PHE 14 4.810 9.582 -3.962 95 HD1 PHE 14 1HD PHE 14 7.622 9.490 -3.986 96 HD2 PHE 14 2HD PHE 14 4.926 6.737 -5.763 97 HE1 PHE 14 1HE PHE 14 9.387 8.832 -5.646 98 HE2 PHE 14 2HE PHE 14 6.690 6.079 -7.422 99 HZ PHE 14 HZ PHE 14 8.900 7.135 -7.344 100 HA PRO 15 HA PRO 15 3.035 9.839 0.578 101 1HB PRO 15 1HB PRO 15 2.889 12.564 0.448 102 2HB PRO 15 2HB PRO 15 4.057 11.714 1.439 103 1HG PRO 15 1HG PRO 15 4.480 13.124 -1.124 104 2HG PRO 15 2HG PRO 15 5.666 12.647 0.075 105 1HD PRO 15 1HD PRO 15 5.145 11.355 -2.432 106 2HD PRO 15 2HD PRO 15 6.248 10.812 -1.183 107 H HIS 16 H HIS 16 0.802 10.222 0.773 108 HA HIS 16 HA HIS 16 -0.568 11.495 -1.308 109 1HB HIS 16 1HB HIS 16 0.056 9.577 -2.647 110 2HB HIS 16 2HB HIS 16 -0.522 8.468 -1.420 111 HD1 HIS 16 1HD HIS 16 -3.044 7.961 -1.341 112 HD2 HIS 16 2HD HIS 16 -2.012 10.917 -4.132 113 HE1 HIS 16 1HE HIS 16 -5.123 8.355 -2.767 114 H THR 17 H THR 17 -1.409 12.495 0.621 115 HA THR 17 HA THR 17 -2.886 10.782 2.446 116 HB THR 17 HB THR 17 -2.344 13.798 2.354 117 HG1 THR 17 1HG THR 17 -0.557 12.140 2.666 118 1HG2 THR 17 1HG2 THR 17 -4.275 12.438 3.890 119 2HG2 THR 17 2HG2 THR 17 -2.851 12.497 4.955 120 3HG2 THR 17 3HG2 THR 17 -3.537 14.004 4.302 121 H ALA 18 H ALA 18 -5.087 10.652 2.663 122 HA ALA 18 HA ALA 18 -6.595 11.201 0.353 123 1HB ALA 18 1HB ALA 18 -7.534 9.453 1.475 124 2HB ALA 18 2HB ALA 18 -6.999 10.050 3.064 125 3HB ALA 18 3HB ALA 18 -8.451 10.737 2.298 126 H GLY 19 H GLY 19 -6.813 12.592 3.711 127 1HA GLY 19 1HA GLY 19 -7.401 14.644 4.418 128 2HA GLY 19 2HA GLY 19 -6.968 15.261 2.836 129 H ASN 20 H ASN 20 -9.579 14.229 4.950 130 HA ASN 20 HA ASN 20 -11.699 14.797 4.867 131 1HB ASN 20 1HB ASN 20 -10.759 16.463 2.854 132 2HB ASN 20 2HB ASN 20 -11.890 15.467 1.958 133 1HD2 ASN 20 1HD2 ASN 20 -12.849 17.688 1.792 134 2HD2 ASN 20 2HD2 ASN 20 -14.026 18.156 2.974 135 H ASN 21 H ASN 21 -10.557 13.547 1.634 136 HA ASN 21 HA ASN 21 -12.717 12.114 0.930 137 1HB ASN 21 1HB ASN 21 -9.745 11.766 0.504 138 2HB ASN 21 2HB ASN 21 -10.785 10.450 -0.001 139 1HD2 ASN 21 1HD2 ASN 21 -11.734 10.547 -1.900 140 2HD2 ASN 21 2HD2 ASN 21 -11.881 11.941 -2.918 141 H LYS 22 H LYS 22 -12.753 9.519 0.867 142 HA LYS 22 HA LYS 22 -11.887 8.502 3.479 143 1HB LYS 22 1HB LYS 22 -14.600 8.239 2.169 144 2HB LYS 22 2HB LYS 22 -14.054 7.149 3.427 145 1HG LYS 22 1HG LYS 22 -13.500 9.344 4.775 146 2HG LYS 22 2HG LYS 22 -14.543 10.141 3.614 147 1HD LYS 22 1HD LYS 22 -16.358 9.451 4.779 148 2HD LYS 22 2HD LYS 22 -15.935 7.784 4.446 149 1HE LYS 22 1HE LYS 22 -14.293 9.019 6.593 150 2HE LYS 22 2HE LYS 22 -16.002 8.944 6.973 151 1HZ LYS 22 1HZ LYS 22 -14.493 6.633 5.976 152 2HZ LYS 22 2HZ LYS 22 -14.701 6.947 7.565 153 3HZ LYS 22 3HZ LYS 22 -15.994 6.632 6.619 154 H THR 23 H THR 23 -13.226 7.524 0.242 155 HA THR 23 HA THR 23 -12.454 4.955 0.132 156 HB THR 23 HB THR 23 -12.308 5.333 -2.329 157 HG1 THR 23 1HG THR 23 -12.372 8.133 -1.456 158 1HG2 THR 23 1HG2 THR 23 -14.530 5.869 -2.494 159 2HG2 THR 23 2HG2 THR 23 -14.509 6.098 -0.729 160 3HG2 THR 23 3HG2 THR 23 -14.248 7.487 -1.810 161 H LEU 24 H LEU 24 -10.267 7.732 -0.685 162 HA LEU 24 HA LEU 24 -8.041 5.962 -0.924 163 1HB LEU 24 1HB LEU 24 -7.926 8.955 -0.648 164 2HB LEU 24 2HB LEU 24 -6.792 7.885 -1.448 165 HG LEU 24 HG LEU 24 -9.596 8.021 -2.493 166 1HD1 LEU 24 1HD1 LEU 24 -7.533 10.204 -2.750 167 2HD1 LEU 24 2HD1 LEU 24 -8.773 9.930 -3.997 168 3HD1 LEU 24 3HD1 LEU 24 -9.259 10.330 -2.332 169 1HD2 LEU 24 1HD2 LEU 24 -6.858 7.468 -3.623 170 2HD2 LEU 24 2HD2 LEU 24 -8.301 6.426 -3.603 171 3HD2 LEU 24 3HD2 LEU 24 -8.244 7.848 -4.673 172 H LEU 25 H LEU 25 -6.355 5.589 0.533 173 HA LEU 25 HA LEU 25 -7.083 5.941 3.277 174 1HB LEU 25 1HB LEU 25 -5.862 3.977 2.031 175 2HB LEU 25 2HB LEU 25 -4.424 4.925 2.356 176 HG LEU 25 HG LEU 25 -5.793 3.122 4.074 177 1HD1 LEU 25 1HD1 LEU 25 -3.799 4.327 5.578 178 2HD1 LEU 25 2HD1 LEU 25 -3.619 2.915 4.509 179 3HD1 LEU 25 3HD1 LEU 25 -3.257 4.547 3.897 180 1HD2 LEU 25 1HD2 LEU 25 -5.900 4.665 6.119 181 2HD2 LEU 25 2HD2 LEU 25 -5.988 6.002 4.947 182 3HD2 LEU 25 3HD2 LEU 25 -7.242 4.738 4.951 183 H SER 26 H SER 26 -4.188 6.235 4.117 184 HA SER 26 HA SER 26 -3.341 8.734 3.159 185 1HB SER 26 1HB SER 26 -3.762 10.114 5.126 186 2HB SER 26 2HB SER 26 -5.288 9.489 4.532 187 HG SER 26 HG SER 26 -4.929 9.346 6.914 188 H PHE 27 H PHE 27 -1.137 8.573 3.346 189 HA PHE 27 HA PHE 27 0.002 7.675 5.824 190 1HB PHE 27 1HB PHE 27 1.360 5.910 4.504 191 2HB PHE 27 2HB PHE 27 -0.333 5.514 4.722 192 HD1 PHE 27 1HD PHE 27 2.217 6.551 2.311 193 HD2 PHE 27 2HD PHE 27 -1.866 5.526 2.843 194 HE1 PHE 27 1HE PHE 27 1.956 6.301 -0.173 195 HE2 PHE 27 2HE PHE 27 -2.128 5.276 0.359 196 HZ PHE 27 HZ PHE 27 -0.213 5.667 -1.119 197 H ALA 28 H ALA 28 2.573 7.554 5.455 198 HA ALA 28 HA ALA 28 3.261 9.779 3.658 199 1HB ALA 28 1HB ALA 28 4.603 10.744 5.329 200 2HB ALA 28 2HB ALA 28 3.162 10.212 6.228 201 3HB ALA 28 3HB ALA 28 4.656 9.246 6.288 202 H GLN 29 H GLN 29 5.125 9.521 2.419 203 HA GLN 29 HA GLN 29 5.871 7.138 1.580 204 1HB GLN 29 1HB GLN 29 6.669 9.185 0.534 205 2HB GLN 29 2HB GLN 29 7.628 9.600 1.941 206 1HG GLN 29 1HG GLN 29 8.831 7.297 1.531 207 2HG GLN 29 2HG GLN 29 8.102 7.364 -0.061 208 1HE2 GLN 29 1HE2 GLN 29 10.106 7.519 -1.045 209 2HE2 GLN 29 2HE2 GLN 29 11.049 8.972 -1.055 210 H GLY 30 H GLY 30 6.703 5.310 2.487 211 1HA GLY 30 1HA GLY 30 8.649 4.371 3.594 212 2HA GLY 30 2HA GLY 30 8.529 5.645 4.791 213 H ASP 31 H ASP 31 5.605 5.643 5.047 214 HA ASP 31 HA ASP 31 5.282 3.956 7.101 215 1HB ASP 31 1HB ASP 31 3.319 5.082 5.079 216 2HB ASP 31 2HB ASP 31 2.740 4.037 6.361 217 H VAL 32 H VAL 32 4.018 1.876 7.312 218 HA VAL 32 HA VAL 32 4.187 0.274 4.853 219 HB VAL 32 HB VAL 32 4.762 -0.411 7.733 220 1HG1 VAL 32 1HG1 VAL 32 3.705 -2.130 5.616 221 2HG1 VAL 32 2HG1 VAL 32 5.264 -2.707 6.253 222 3HG1 VAL 32 3HG1 VAL 32 3.894 -2.442 7.359 223 1HG2 VAL 32 1HG2 VAL 32 6.942 -0.521 7.147 224 2HG2 VAL 32 2HG2 VAL 32 6.587 -1.229 5.552 225 3HG2 VAL 32 3HG2 VAL 32 6.435 0.527 5.800 226 H LEU 33 H LEU 33 2.359 -0.815 4.209 227 HA LEU 33 HA LEU 33 0.090 -0.691 6.072 228 1HB LEU 33 1HB LEU 33 -0.316 -0.586 3.116 229 2HB LEU 33 2HB LEU 33 -1.354 -0.025 4.412 230 HG LEU 33 HG LEU 33 1.278 1.344 3.963 231 1HD1 LEU 33 1HD1 LEU 33 -1.050 2.440 2.487 232 2HD1 LEU 33 2HD1 LEU 33 0.685 2.465 2.092 233 3HD1 LEU 33 3HD1 LEU 33 -0.274 0.995 1.797 234 1HD2 LEU 33 1HD2 LEU 33 0.317 2.274 5.812 235 2HD2 LEU 33 2HD2 LEU 33 -0.403 3.306 4.553 236 3HD2 LEU 33 3HD2 LEU 33 -1.343 1.964 5.250 237 H THR 34 H THR 34 -1.252 -2.526 6.173 238 HA THR 34 HA THR 34 0.010 -4.923 5.078 239 HB THR 34 HB THR 34 -2.173 -4.495 7.187 240 HG1 THR 34 1HG THR 34 -0.051 -3.728 7.808 241 1HG2 THR 34 1HG2 THR 34 -2.301 -6.772 7.379 242 2HG2 THR 34 2HG2 THR 34 -1.445 -6.874 5.821 243 3HG2 THR 34 3HG2 THR 34 -0.528 -6.923 7.346 244 H LEU 35 H LEU 35 -0.708 -5.926 3.312 245 HA LEU 35 HA LEU 35 -3.094 -4.947 2.068 246 1HB LEU 35 1HB LEU 35 -1.210 -7.175 1.284 247 2HB LEU 35 2HB LEU 35 -2.490 -6.518 0.283 248 HG LEU 35 HG LEU 35 0.032 -5.119 1.197 249 1HD1 LEU 35 1HD1 LEU 35 0.523 -6.500 -0.643 250 2HD1 LEU 35 2HD1 LEU 35 -0.994 -6.081 -1.474 251 3HD1 LEU 35 3HD1 LEU 35 0.302 -4.870 -1.325 252 1HD2 LEU 35 1HD2 LEU 35 -2.547 -3.984 0.375 253 2HD2 LEU 35 2HD2 LEU 35 -1.162 -3.228 1.200 254 3HD2 LEU 35 3HD2 LEU 35 -1.159 -3.395 -0.572 255 H LEU 36 H LEU 36 -5.030 -6.111 1.663 256 HA LEU 36 HA LEU 36 -5.395 -8.352 3.523 257 1HB LEU 36 1HB LEU 36 -7.506 -6.520 2.386 258 2HB LEU 36 2HB LEU 36 -7.713 -7.739 3.628 259 HG LEU 36 HG LEU 36 -6.032 -5.231 3.909 260 1HD1 LEU 36 1HD1 LEU 36 -8.067 -4.270 4.056 261 2HD1 LEU 36 2HD1 LEU 36 -8.892 -5.804 4.424 262 3HD1 LEU 36 3HD1 LEU 36 -8.022 -4.932 5.708 263 1HD2 LEU 36 1HD2 LEU 36 -6.219 -7.669 5.496 264 2HD2 LEU 36 2HD2 LEU 36 -5.049 -6.330 5.578 265 3HD2 LEU 36 3HD2 LEU 36 -6.602 -6.209 6.440 266 H ILE 37 H ILE 37 -6.362 -7.073 0.267 267 HA ILE 37 HA ILE 37 -6.964 -9.823 -0.511 268 HB ILE 37 HB ILE 37 -8.053 -8.803 -2.444 269 1HG1 ILE 37 1HG1 ILE 37 -7.694 -6.070 -1.251 270 2HG1 ILE 37 2HG1 ILE 37 -6.444 -6.728 -2.288 271 1HG2 ILE 37 1HG2 ILE 37 -9.902 -8.740 -1.221 272 2HG2 ILE 37 2HG2 ILE 37 -8.891 -8.733 0.244 273 3HG2 ILE 37 3HG2 ILE 37 -9.416 -7.195 -0.483 274 1HD1 ILE 37 1HD1 ILE 37 -9.388 -6.367 -3.008 275 2HD1 ILE 37 2HD1 ILE 37 -8.008 -5.453 -3.662 276 3HD1 ILE 37 3HD1 ILE 37 -8.197 -7.179 -4.051 277 HA PRO 38 HA PRO 38 -3.198 -9.995 -2.642 278 1HB PRO 38 1HB PRO 38 -3.590 -12.326 -4.013 279 2HB PRO 38 2HB PRO 38 -3.061 -12.274 -2.343 280 1HG PRO 38 1HG PRO 38 -5.727 -12.956 -3.422 281 2HG PRO 38 2HG PRO 38 -5.064 -13.300 -1.837 282 1HD PRO 38 1HD PRO 38 -6.966 -11.256 -2.494 283 2HD PRO 38 2HD PRO 38 -6.214 -11.527 -0.934 284 H GLU 39 H GLU 39 -6.212 -9.633 -4.108 285 HA GLU 39 HA GLU 39 -5.007 -9.354 -6.711 286 1HB GLU 39 1HB GLU 39 -7.626 -9.991 -5.702 287 2HB GLU 39 2HB GLU 39 -7.773 -8.541 -6.676 288 1HG GLU 39 1HG GLU 39 -8.039 -10.374 -8.203 289 2HG GLU 39 2HG GLU 39 -6.432 -9.742 -8.500 290 H GLU 40 H GLU 40 -5.803 -7.315 -8.028 291 HA GLU 40 HA GLU 40 -5.659 -5.018 -6.236 292 1HB GLU 40 1HB GLU 40 -4.246 -3.864 -7.894 293 2HB GLU 40 2HB GLU 40 -3.486 -5.353 -7.368 294 1HG GLU 40 1HG GLU 40 -5.254 -5.357 -9.832 295 2HG GLU 40 2HG GLU 40 -3.603 -4.781 -9.949 296 H LYS 41 H LYS 41 -6.920 -3.173 -6.830 297 HA LYS 41 HA LYS 41 -9.169 -3.836 -8.478 298 1HB LYS 41 1HB LYS 41 -8.846 -2.329 -6.235 299 2HB LYS 41 2HB LYS 41 -8.840 -1.073 -7.456 300 1HG LYS 41 1HG LYS 41 -10.931 -2.821 -8.238 301 2HG LYS 41 2HG LYS 41 -11.076 -2.707 -6.495 302 1HD LYS 41 1HD LYS 41 -10.913 -0.154 -6.756 303 2HD LYS 41 2HD LYS 41 -11.050 -0.396 -8.486 304 1HE LYS 41 1HE LYS 41 -13.114 -1.847 -6.914 305 2HE LYS 41 2HE LYS 41 -13.193 -0.105 -6.740 306 1HZ LYS 41 1HZ LYS 41 -13.447 -1.692 -9.171 307 2HZ LYS 41 2HZ LYS 41 -14.427 -0.515 -8.606 308 3HZ LYS 41 3HZ LYS 41 -12.987 -0.128 -9.271 309 H ASP 42 H ASP 42 -7.507 -4.197 -10.352 310 HA ASP 42 HA ASP 42 -6.812 -3.592 -12.313 311 1HB ASP 42 1HB ASP 42 -8.751 -1.340 -11.738 312 2HB ASP 42 2HB ASP 42 -7.749 -1.241 -13.172 313 H GLY 43 H GLY 43 -5.113 -2.996 -10.108 314 1HA GLY 43 1HA GLY 43 -2.971 -1.877 -10.568 315 2HA GLY 43 2HA GLY 43 -3.888 -0.425 -10.916 316 H TRP 44 H TRP 44 -5.789 -0.270 -8.918 317 HA TRP 44 HA TRP 44 -4.233 0.605 -6.732 318 1HB TRP 44 1HB TRP 44 -7.218 0.251 -7.050 319 2HB TRP 44 2HB TRP 44 -6.446 1.033 -5.685 320 HD1 TRP 44 HD TRP 44 -6.516 1.540 -9.567 321 HE1 TRP 44 1HE TRP 44 -6.439 4.110 -10.160 322 HE3 TRP 44 3HE TRP 44 -6.087 3.170 -4.770 323 HZ2 TRP 44 2HZ TRP 44 -6.213 6.483 -8.591 324 HZ3 TRP 44 3HZ TRP 44 -5.944 5.629 -4.388 325 HH2 TRP 44 HH TRP 44 -6.001 7.265 -6.203 326 H LEU 45 H LEU 45 -4.285 -0.245 -4.517 327 HA LEU 45 HA LEU 45 -5.126 -3.046 -4.362 328 1HB LEU 45 1HB LEU 45 -2.410 -1.903 -3.989 329 2HB LEU 45 2HB LEU 45 -2.924 -3.120 -2.838 330 HG LEU 45 HG LEU 45 -3.012 -3.541 -5.834 331 1HD1 LEU 45 1HD1 LEU 45 -0.822 -4.396 -3.922 332 2HD1 LEU 45 2HD1 LEU 45 -0.917 -4.741 -5.665 333 3HD1 LEU 45 3HD1 LEU 45 -0.702 -3.067 -5.100 334 1HD2 LEU 45 1HD2 LEU 45 -3.863 -5.559 -5.423 335 2HD2 LEU 45 2HD2 LEU 45 -2.700 -5.876 -4.113 336 3HD2 LEU 45 3HD2 LEU 45 -4.195 -4.970 -3.776 337 H TYR 46 H TYR 46 -5.709 -3.752 -2.216 338 HA TYR 46 HA TYR 46 -6.392 -1.472 -0.498 339 1HB TYR 46 1HB TYR 46 -8.018 -3.303 -1.635 340 2HB TYR 46 2HB TYR 46 -7.431 -4.347 -0.356 341 HD1 TYR 46 1HD TYR 46 -8.740 -4.491 1.549 342 HD2 TYR 46 2HD TYR 46 -8.786 -0.856 -0.707 343 HE1 TYR 46 1HE TYR 46 -10.482 -3.525 3.128 344 HE2 TYR 46 2HE TYR 46 -10.528 0.098 0.880 345 HH TYR 46 HH TYR 46 -11.658 -1.797 3.666 346 H GLY 47 H GLY 47 -6.014 -1.576 1.770 347 1HA GLY 47 1HA GLY 47 -4.887 -3.836 3.046 348 2HA GLY 47 2HA GLY 47 -3.614 -2.730 2.569 349 H GLU 48 H GLU 48 -3.716 -2.995 5.200 350 HA GLU 48 HA GLU 48 -5.413 -0.824 6.147 351 1HB GLU 48 1HB GLU 48 -5.755 -3.044 7.235 352 2HB GLU 48 2HB GLU 48 -4.073 -3.066 7.724 353 1HG GLU 48 1HG GLU 48 -4.378 -1.110 9.150 354 2HG GLU 48 2HG GLU 48 -5.984 -0.823 8.512 355 H HIS 49 H HIS 49 -4.432 0.618 7.866 356 HA HIS 49 HA HIS 49 -1.662 1.136 7.133 357 1HB HIS 49 1HB HIS 49 -3.505 2.886 6.928 358 2HB HIS 49 2HB HIS 49 -3.537 2.937 8.679 359 HD1 HIS 49 1HD HIS 49 -0.827 3.250 9.669 360 HD2 HIS 49 2HD HIS 49 -1.911 4.859 5.950 361 HE1 HIS 49 1HE HIS 49 0.881 5.074 9.154 362 H ASP 50 H ASP 50 -0.037 1.521 8.772 363 HA ASP 50 HA ASP 50 -0.611 -0.042 11.131 364 1HB ASP 50 1HB ASP 50 1.497 -0.213 9.530 365 2HB ASP 50 2HB ASP 50 2.082 1.170 10.434 366 H THR 51 H THR 51 -1.940 2.417 11.188 367 HA THR 51 HA THR 51 -0.751 3.676 13.456 368 HB THR 51 HB THR 51 -0.757 5.058 10.731 369 HG1 THR 51 1HG THR 51 1.148 4.821 12.947 370 1HG2 THR 51 1HG2 THR 51 -0.728 6.201 13.549 371 2HG2 THR 51 2HG2 THR 51 0.208 6.989 12.256 372 3HG2 THR 51 3HG2 THR 51 -1.559 6.829 12.106 373 H THR 52 H THR 52 -2.957 4.816 10.818 374 HA THR 52 HA THR 52 -4.891 5.651 12.716 375 HB THR 52 HB THR 52 -6.235 5.942 10.527 376 HG1 THR 52 1HG THR 52 -4.817 4.086 9.630 377 1HG2 THR 52 1HG2 THR 52 -5.077 7.881 9.983 378 2HG2 THR 52 2HG2 THR 52 -4.216 7.522 11.499 379 3HG2 THR 52 3HG2 THR 52 -3.507 7.043 9.938 380 H LYS 53 H LYS 53 -4.225 2.607 11.068 381 HA LYS 53 HA LYS 53 -5.070 0.593 11.499 382 1HB LYS 53 1HB LYS 53 -7.184 1.837 13.273 383 2HB LYS 53 2HB LYS 53 -6.637 0.172 13.257 384 1HG LYS 53 1HG LYS 53 -4.746 2.486 13.856 385 2HG LYS 53 2HG LYS 53 -5.682 1.703 15.114 386 1HD LYS 53 1HD LYS 53 -4.384 -0.319 13.464 387 2HD LYS 53 2HD LYS 53 -3.193 0.845 14.009 388 1HE LYS 53 1HE LYS 53 -3.720 0.463 16.331 389 2HE LYS 53 2HE LYS 53 -5.208 -0.375 15.939 390 1HZ LYS 53 1HZ LYS 53 -4.097 -2.250 15.699 391 2HZ LYS 53 2HZ LYS 53 -2.981 -1.594 14.704 392 3HZ LYS 53 3HZ LYS 53 -2.780 -1.514 16.323 393 H ALA 54 H ALA 54 -6.482 3.210 9.976 394 HA ALA 54 HA ALA 54 -8.885 1.836 9.138 395 1HB ALA 54 1HB ALA 54 -7.686 4.482 8.227 396 2HB ALA 54 2HB ALA 54 -9.350 3.913 7.957 397 3HB ALA 54 3HB ALA 54 -8.798 4.298 9.604 398 H ARG 55 H ARG 55 -9.333 1.689 6.708 399 HA ARG 55 HA ARG 55 -6.853 1.072 5.321 400 1HB ARG 55 1HB ARG 55 -9.433 -0.565 5.150 401 2HB ARG 55 2HB ARG 55 -7.932 -0.925 4.320 402 1HG ARG 55 1HG ARG 55 -7.057 -1.951 6.152 403 2HG ARG 55 2HG ARG 55 -7.455 -0.596 7.189 404 1HD ARG 55 1HD ARG 55 -9.960 -1.769 6.644 405 2HD ARG 55 2HD ARG 55 -8.889 -3.145 6.821 406 HE ARG 55 HE ARG 55 -8.294 -1.352 8.943 407 1HH1 ARG 55 2HH2 ARG 55 -10.976 -3.357 7.860 408 2HH1 ARG 55 1HH2 ARG 55 -11.610 -3.593 9.455 409 1HH2 ARG 55 2HH1 ARG 55 -9.129 -1.664 11.047 410 2HH2 ARG 55 1HH1 ARG 55 -10.552 -2.624 11.279 411 H GLY 56 H GLY 56 -6.787 1.755 3.143 412 1HA GLY 56 1HA GLY 56 -9.299 2.809 2.006 413 2HA GLY 56 2HA GLY 56 -7.847 3.789 2.048 414 H TRP 57 H TRP 57 -8.335 3.721 -0.401 415 HA TRP 57 HA TRP 57 -7.175 1.279 -1.556 416 1HB TRP 57 1HB TRP 57 -9.215 3.231 -2.597 417 2HB TRP 57 2HB TRP 57 -8.295 2.205 -3.680 418 HD1 TRP 57 HD TRP 57 -11.221 2.071 -1.259 419 HE1 TRP 57 1HE TRP 57 -12.392 -0.294 -1.250 420 HE3 TRP 57 3HE TRP 57 -7.642 -0.294 -3.988 421 HZ2 TRP 57 2HZ TRP 57 -11.706 -2.831 -2.362 422 HZ3 TRP 57 3HZ TRP 57 -7.969 -2.715 -4.482 423 HH2 TRP 57 HH TRP 57 -9.916 -3.980 -3.717 424 H PHE 58 H PHE 58 -5.273 1.493 -2.727 425 HA PHE 58 HA PHE 58 -4.441 4.183 -3.462 426 1HB PHE 58 1HB PHE 58 -2.134 3.496 -2.460 427 2HB PHE 58 2HB PHE 58 -3.382 3.880 -1.292 428 HD1 PHE 58 1HD PHE 58 -1.822 1.001 -3.058 429 HD2 PHE 58 2HD PHE 58 -3.944 2.339 0.364 430 HE1 PHE 58 1HE PHE 58 -1.510 -1.247 -1.985 431 HE2 PHE 58 2HE PHE 58 -3.633 0.091 1.437 432 HZ PHE 58 HZ PHE 58 -2.419 -1.675 0.249 433 HA PRO 59 HA PRO 59 -2.876 2.064 -6.899 434 1HB PRO 59 1HB PRO 59 -0.961 3.789 -7.808 435 2HB PRO 59 2HB PRO 59 -2.672 4.012 -8.111 436 1HG PRO 59 1HG PRO 59 -0.923 5.455 -6.214 437 2HG PRO 59 2HG PRO 59 -2.493 5.925 -6.836 438 1HD PRO 59 1HD PRO 59 -1.927 4.858 -4.234 439 2HD PRO 59 2HD PRO 59 -3.508 5.220 -4.897 440 H SER 60 H SER 60 -1.782 0.220 -7.075 441 HA SER 60 HA SER 60 0.064 -0.488 -5.238 442 1HB SER 60 1HB SER 60 0.515 -2.378 -6.607 443 2HB SER 60 2HB SER 60 -1.128 -1.922 -7.011 444 HG SER 60 HG SER 60 -0.370 -0.888 -8.925 445 H SER 61 H SER 61 0.423 1.668 -7.976 446 HA SER 61 HA SER 61 3.186 1.330 -8.321 447 1HB SER 61 1HB SER 61 1.089 2.780 -9.560 448 2HB SER 61 2HB SER 61 2.226 4.001 -9.022 449 HG SER 61 HG SER 61 3.931 2.628 -10.084 450 H TYR 62 H TYR 62 1.121 3.228 -6.140 451 HA TYR 62 HA TYR 62 3.297 4.919 -5.282 452 1HB TYR 62 1HB TYR 62 0.340 4.439 -4.796 453 2HB TYR 62 2HB TYR 62 1.215 5.217 -3.492 454 HD1 TYR 62 1HD TYR 62 0.299 7.394 -3.537 455 HD2 TYR 62 2HD TYR 62 1.804 5.666 -7.149 456 HE1 TYR 62 1HE TYR 62 0.058 9.633 -4.717 457 HE2 TYR 62 2HE TYR 62 1.558 7.910 -8.317 458 HH TYR 62 HH TYR 62 0.394 9.912 -8.138 459 H THR 63 H THR 63 2.935 1.732 -4.904 460 HA THR 63 HA THR 63 4.129 1.794 -2.250 461 HB THR 63 HB THR 63 2.543 -0.094 -1.562 462 HG1 THR 63 1HG THR 63 1.130 1.026 -3.877 463 1HG2 THR 63 1HG2 THR 63 1.070 2.469 -2.355 464 2HG2 THR 63 2HG2 THR 63 0.622 1.335 -1.058 465 3HG2 THR 63 3HG2 THR 63 2.085 2.337 -0.900 466 H LYS 64 H LYS 64 5.305 -0.178 -1.724 467 HA LYS 64 HA LYS 64 5.835 -1.821 -4.090 468 1HB LYS 64 1HB LYS 64 7.998 -0.684 -2.298 469 2HB LYS 64 2HB LYS 64 8.221 -1.684 -3.720 470 1HG LYS 64 1HG LYS 64 6.643 0.389 -4.710 471 2HG LYS 64 2HG LYS 64 7.636 1.219 -3.528 472 1HD LYS 64 1HD LYS 64 9.012 1.333 -5.418 473 2HD LYS 64 2HD LYS 64 9.635 -0.110 -4.643 474 1HE LYS 64 1HE LYS 64 8.118 -1.511 -6.095 475 2HE LYS 64 2HE LYS 64 7.575 -0.053 -6.901 476 1HZ LYS 64 1HZ LYS 64 10.310 -1.116 -6.864 477 2HZ LYS 64 2HZ LYS 64 9.316 -0.990 -8.154 478 3HZ LYS 64 3HZ LYS 64 9.929 0.356 -7.460 479 H LEU 65 H LEU 65 6.684 -3.970 -3.577 480 HA LEU 65 HA LEU 65 5.469 -4.959 -1.179 481 1HB LEU 65 1HB LEU 65 6.838 -6.162 -3.559 482 2HB LEU 65 2HB LEU 65 6.546 -7.133 -2.130 483 HG LEU 65 HG LEU 65 4.204 -5.630 -3.161 484 1HD1 LEU 65 1HD1 LEU 65 5.423 -6.411 -5.226 485 2HD1 LEU 65 2HD1 LEU 65 5.160 -8.077 -4.659 486 3HD1 LEU 65 3HD1 LEU 65 3.767 -7.032 -5.026 487 1HD2 LEU 65 1HD2 LEU 65 4.723 -7.805 -1.421 488 2HD2 LEU 65 2HD2 LEU 65 3.158 -7.073 -1.846 489 3HD2 LEU 65 3HD2 LEU 65 3.788 -8.440 -2.797 490 H LEU 66 H LEU 66 6.433 -5.494 0.736 491 HA LEU 66 HA LEU 66 8.985 -4.468 1.268 492 1HB LEU 66 1HB LEU 66 7.278 -6.411 2.831 493 2HB LEU 66 2HB LEU 66 8.701 -5.594 3.447 494 HG LEU 66 HG LEU 66 5.957 -4.558 2.977 495 1HD1 LEU 66 1HD1 LEU 66 6.167 -4.487 5.192 496 2HD1 LEU 66 2HD1 LEU 66 7.933 -4.697 5.114 497 3HD1 LEU 66 3HD1 LEU 66 7.222 -3.074 4.950 498 1HD2 LEU 66 1HD2 LEU 66 8.333 -2.693 2.769 499 2HD2 LEU 66 2HD2 LEU 66 7.374 -3.255 1.379 500 3HD2 LEU 66 3HD2 LEU 66 6.606 -2.279 2.654 501 H SER 67 H SER 67 10.673 -6.029 2.463 502 HA SER 67 HA SER 67 10.867 -8.533 1.061 503 1HB SER 67 1HB SER 67 12.693 -6.185 0.596 504 2HB SER 67 2HB SER 67 13.418 -7.780 0.641 505 HG SER 67 HG SER 67 11.094 -7.710 -0.904 506 H GLY 68 H GLY 68 10.738 -9.611 3.075 507 1HA GLY 68 1HA GLY 68 12.582 -10.555 4.518 508 2HA GLY 68 2HA GLY 68 12.809 -8.905 5.061 509 HA PRO 69 HA PRO 69 9.308 -11.038 7.323 510 1HB PRO 69 1HB PRO 69 10.552 -12.348 9.374 511 2HB PRO 69 2HB PRO 69 10.021 -13.148 7.908 512 1HG PRO 69 1HG PRO 69 12.764 -12.406 8.725 513 2HG PRO 69 2HG PRO 69 12.255 -13.556 7.505 514 1HD PRO 69 1HD PRO 69 13.274 -10.912 7.054 515 2HD PRO 69 2HD PRO 69 12.657 -12.019 5.843 516 H SER 70 H SER 70 8.462 -10.617 9.563 517 HA SER 70 HA SER 70 10.025 -8.777 11.043 518 1HB SER 70 1HB SER 70 9.148 -7.304 9.211 519 2HB SER 70 2HB SER 70 7.511 -7.732 9.665 520 HG SER 70 HG SER 70 8.856 -5.706 10.618 521 H SER 71 H SER 71 9.459 -9.063 13.181 522 HA SER 71 HA SER 71 6.770 -10.096 13.648 523 1HB SER 71 1HB SER 71 7.577 -11.648 15.235 524 2HB SER 71 2HB SER 71 8.749 -11.746 13.936 525 HG SER 71 HG SER 71 10.164 -10.348 15.139 526 H GLY 72 H GLY 72 6.032 -9.685 16.007 527 1HA GLY 72 1HA GLY 72 7.042 -7.041 16.871 528 2HA GLY 72 2HA GLY 72 5.371 -7.558 16.972 Start of MODEL 20 1 1H GLY 1 H GLY 1 2.745 -17.076 12.615 2 1HA GLY 1 1HA GLY 1 0.927 -17.173 10.788 3 2HA GLY 1 2HA GLY 1 2.303 -17.104 9.705 4 H SER 2 H SER 2 0.586 -19.319 9.651 5 HA SER 2 HA SER 2 2.469 -21.358 10.316 6 1HB SER 2 1HB SER 2 0.964 -22.713 11.672 7 2HB SER 2 2HB SER 2 1.135 -21.138 12.420 8 HG SER 2 HG SER 2 -0.933 -20.853 10.778 9 H SER 3 H SER 3 2.605 -22.131 8.219 10 HA SER 3 HA SER 3 2.030 -22.942 6.287 11 1HB SER 3 1HB SER 3 -0.120 -24.081 8.079 12 2HB SER 3 2HB SER 3 -0.207 -24.387 6.356 13 HG SER 3 HG SER 3 1.573 -25.647 6.427 14 H GLY 4 H GLY 4 1.635 -21.184 4.928 15 1HA GLY 4 1HA GLY 4 0.086 -20.296 3.389 16 2HA GLY 4 2HA GLY 4 -1.194 -20.452 4.576 17 H SER 5 H SER 5 0.857 -18.260 3.057 18 HA SER 5 HA SER 5 0.641 -16.435 5.323 19 1HB SER 5 1HB SER 5 2.951 -17.203 3.942 20 2HB SER 5 2HB SER 5 2.553 -15.659 3.214 21 HG SER 5 HG SER 5 2.728 -14.623 5.194 22 H SER 6 H SER 6 -1.154 -15.167 4.942 23 HA SER 6 HA SER 6 -1.331 -14.025 2.267 24 1HB SER 6 1HB SER 6 -3.772 -14.176 2.353 25 2HB SER 6 2HB SER 6 -3.080 -15.771 2.572 26 HG SER 6 HG SER 6 -3.457 -15.624 4.839 27 H GLY 7 H GLY 7 -0.418 -12.015 2.841 28 1HA GLY 7 1HA GLY 7 -1.873 -9.956 3.720 29 2HA GLY 7 2HA GLY 7 -1.342 -10.654 5.237 30 H GLN 8 H GLN 8 0.239 -10.218 1.986 31 HA GLN 8 HA GLN 8 2.741 -9.794 3.034 32 1HB GLN 8 1HB GLN 8 1.469 -9.747 0.451 33 2HB GLN 8 2HB GLN 8 2.478 -8.320 0.573 34 1HG GLN 8 1HG GLN 8 3.492 -11.097 1.318 35 2HG GLN 8 2HG GLN 8 3.612 -10.464 -0.311 36 1HE2 GLN 8 1HE2 GLN 8 5.682 -11.192 1.618 37 2HE2 GLN 8 2HE2 GLN 8 6.690 -9.802 1.843 38 H LYS 9 H LYS 9 4.067 -7.708 2.878 39 HA LYS 9 HA LYS 9 2.374 -5.437 3.663 40 1HB LYS 9 1HB LYS 9 5.080 -6.263 4.756 41 2HB LYS 9 2HB LYS 9 4.274 -4.754 5.132 42 1HG LYS 9 1HG LYS 9 2.278 -6.678 5.587 43 2HG LYS 9 2HG LYS 9 3.735 -7.469 6.156 44 1HD LYS 9 1HD LYS 9 3.793 -4.724 7.064 45 2HD LYS 9 2HD LYS 9 2.218 -5.388 7.448 46 1HE LYS 9 1HE LYS 9 3.793 -5.813 9.302 47 2HE LYS 9 2HE LYS 9 3.288 -7.329 8.582 48 1HZ LYS 9 1HZ LYS 9 5.440 -6.708 7.137 49 2HZ LYS 9 2HZ LYS 9 5.868 -6.109 8.594 50 3HZ LYS 9 3HZ LYS 9 5.462 -7.683 8.447 51 H VAL 10 H VAL 10 2.912 -3.387 2.832 52 HA VAL 10 HA VAL 10 5.084 -3.397 0.860 53 HB VAL 10 HB VAL 10 3.540 -1.902 -0.506 54 1HG1 VAL 10 1HG1 VAL 10 4.021 -4.608 -0.568 55 2HG1 VAL 10 2HG1 VAL 10 2.242 -4.544 -0.571 56 3HG1 VAL 10 3HG1 VAL 10 3.167 -3.685 -1.827 57 1HG2 VAL 10 1HG2 VAL 10 1.860 -2.188 1.705 58 2HG2 VAL 10 2HG2 VAL 10 1.430 -1.505 0.119 59 3HG2 VAL 10 3HG2 VAL 10 1.129 -3.226 0.457 60 H LYS 11 H LYS 11 6.012 -1.255 0.455 61 HA LYS 11 HA LYS 11 5.442 0.597 2.664 62 1HB LYS 11 1HB LYS 11 7.510 -0.144 3.306 63 2HB LYS 11 2HB LYS 11 8.014 -0.540 1.675 64 1HG LYS 11 1HG LYS 11 8.151 1.935 1.160 65 2HG LYS 11 2HG LYS 11 7.752 2.276 2.832 66 1HD LYS 11 1HD LYS 11 10.005 0.354 2.445 67 2HD LYS 11 2HD LYS 11 10.320 1.983 1.880 68 1HE LYS 11 1HE LYS 11 10.296 2.880 4.009 69 2HE LYS 11 2HE LYS 11 9.006 1.827 4.556 70 1HZ LYS 11 1HZ LYS 11 11.750 1.508 4.893 71 2HZ LYS 11 2HZ LYS 11 10.542 0.586 5.491 72 3HZ LYS 11 3HZ LYS 11 11.195 0.233 4.037 73 H THR 12 H THR 12 5.001 2.689 2.108 74 HA THR 12 HA THR 12 4.651 3.246 -0.681 75 HB THR 12 HB THR 12 3.670 5.337 0.211 76 HG1 THR 12 1HG THR 12 4.088 5.801 2.454 77 1HG2 THR 12 1HG2 THR 12 3.033 2.711 1.513 78 2HG2 THR 12 2HG2 THR 12 2.447 4.160 2.365 79 3HG2 THR 12 3HG2 THR 12 1.948 3.852 0.684 80 H ILE 13 H ILE 13 5.882 4.402 -2.071 81 HA ILE 13 HA ILE 13 8.455 5.286 -0.992 82 HB ILE 13 HB ILE 13 9.191 5.196 -3.350 83 1HG1 ILE 13 1HG1 ILE 13 6.463 3.974 -3.865 84 2HG1 ILE 13 2HG1 ILE 13 6.989 5.555 -4.408 85 1HG2 ILE 13 1HG2 ILE 13 9.844 3.082 -3.039 86 2HG2 ILE 13 2HG2 ILE 13 8.906 3.158 -1.529 87 3HG2 ILE 13 3HG2 ILE 13 8.173 2.470 -2.998 88 1HD1 ILE 13 1HD1 ILE 13 9.021 4.220 -5.468 89 2HD1 ILE 13 2HD1 ILE 13 7.920 2.829 -5.321 90 3HD1 ILE 13 3HD1 ILE 13 7.444 4.241 -6.294 91 H PHE 14 H PHE 14 5.387 6.454 -1.755 92 HA PHE 14 HA PHE 14 6.479 9.138 -1.982 93 1HB PHE 14 1HB PHE 14 4.285 7.934 -3.773 94 2HB PHE 14 2HB PHE 14 4.885 9.577 -3.878 95 HD1 PHE 14 1HD PHE 14 7.774 9.261 -3.787 96 HD2 PHE 14 2HD PHE 14 4.866 6.863 -5.736 97 HE1 PHE 14 1HE PHE 14 9.499 8.526 -5.456 98 HE2 PHE 14 2HE PHE 14 6.591 6.127 -7.405 99 HZ PHE 14 HZ PHE 14 8.887 6.967 -7.245 100 HA PRO 15 HA PRO 15 3.175 9.914 0.714 101 1HB PRO 15 1HB PRO 15 3.035 12.640 0.573 102 2HB PRO 15 2HB PRO 15 4.211 11.790 1.555 103 1HG PRO 15 1HG PRO 15 4.609 13.188 -1.019 104 2HG PRO 15 2HG PRO 15 5.807 12.713 0.168 105 1HD PRO 15 1HD PRO 15 5.254 11.411 -2.327 106 2HD PRO 15 2HD PRO 15 6.369 10.872 -1.088 107 H HIS 16 H HIS 16 0.962 10.051 0.863 108 HA HIS 16 HA HIS 16 -0.449 11.406 -1.179 109 1HB HIS 16 1HB HIS 16 0.220 9.473 -2.503 110 2HB HIS 16 2HB HIS 16 -0.404 8.378 -1.285 111 HD1 HIS 16 1HD HIS 16 -2.882 7.797 -1.371 112 HD2 HIS 16 2HD HIS 16 -1.844 10.954 -3.932 113 HE1 HIS 16 1HE HIS 16 -4.935 8.249 -2.818 114 H THR 17 H THR 17 -1.726 12.405 0.338 115 HA THR 17 HA THR 17 -2.952 10.713 2.391 116 HB THR 17 HB THR 17 -2.621 13.738 2.049 117 HG1 THR 17 1HG THR 17 -1.636 11.684 3.903 118 1HG2 THR 17 1HG2 THR 17 -4.003 12.041 4.171 119 2HG2 THR 17 2HG2 THR 17 -3.263 13.605 4.585 120 3HG2 THR 17 3HG2 THR 17 -4.591 13.535 3.402 121 H ALA 18 H ALA 18 -5.145 10.425 2.619 122 HA ALA 18 HA ALA 18 -6.647 10.805 0.212 123 1HB ALA 18 1HB ALA 18 -8.435 9.893 2.053 124 2HB ALA 18 2HB ALA 18 -7.309 8.840 1.164 125 3HB ALA 18 3HB ALA 18 -6.909 9.381 2.812 126 H GLY 19 H GLY 19 -6.856 12.001 3.636 127 1HA GLY 19 1HA GLY 19 -7.771 13.864 4.495 128 2HA GLY 19 2HA GLY 19 -7.543 14.616 2.929 129 H ASN 20 H ASN 20 -9.412 15.488 2.161 130 HA ASN 20 HA ASN 20 -11.852 15.179 3.127 131 1HB ASN 20 1HB ASN 20 -10.722 16.337 0.817 132 2HB ASN 20 2HB ASN 20 -11.941 15.258 0.167 133 1HD2 ASN 20 1HD2 ASN 20 -13.708 16.319 -0.271 134 2HD2 ASN 20 2HD2 ASN 20 -14.484 17.521 0.704 135 H ASN 21 H ASN 21 -10.510 13.348 0.267 136 HA ASN 21 HA ASN 21 -12.653 11.750 -0.189 137 1HB ASN 21 1HB ASN 21 -9.784 11.754 -0.830 138 2HB ASN 21 2HB ASN 21 -10.362 10.112 -0.627 139 1HD2 ASN 21 1HD2 ASN 21 -10.165 9.616 -2.778 140 2HD2 ASN 21 2HD2 ASN 21 -11.225 10.218 -4.008 141 H LYS 22 H LYS 22 -13.441 9.804 0.754 142 HA LYS 22 HA LYS 22 -11.995 8.918 3.151 143 1HB LYS 22 1HB LYS 22 -14.837 9.458 2.586 144 2HB LYS 22 2HB LYS 22 -14.549 7.932 3.398 145 1HG LYS 22 1HG LYS 22 -12.984 10.241 4.466 146 2HG LYS 22 2HG LYS 22 -14.719 10.361 4.683 147 1HD LYS 22 1HD LYS 22 -13.693 7.664 5.318 148 2HD LYS 22 2HD LYS 22 -12.948 8.907 6.303 149 1HE LYS 22 1HE LYS 22 -15.859 9.312 6.031 150 2HE LYS 22 2HE LYS 22 -15.476 7.749 6.724 151 1HZ LYS 22 1HZ LYS 22 -14.511 10.347 7.697 152 2HZ LYS 22 2HZ LYS 22 -15.608 9.383 8.428 153 3HZ LYS 22 3HZ LYS 22 -14.050 8.906 8.311 154 H THR 23 H THR 23 -12.233 8.218 -0.033 155 HA THR 23 HA THR 23 -12.668 5.351 0.296 156 HB THR 23 HB THR 23 -12.597 5.418 -2.214 157 HG1 THR 23 1HG THR 23 -11.502 7.185 -2.967 158 1HG2 THR 23 1HG2 THR 23 -14.498 6.903 -0.565 159 2HG2 THR 23 2HG2 THR 23 -14.270 7.729 -2.125 160 3HG2 THR 23 3HG2 THR 23 -14.796 6.029 -2.086 161 H LEU 24 H LEU 24 -10.108 7.667 -0.778 162 HA LEU 24 HA LEU 24 -8.216 5.538 -1.040 163 1HB LEU 24 1HB LEU 24 -7.679 8.503 -0.962 164 2HB LEU 24 2HB LEU 24 -6.671 7.245 -1.649 165 HG LEU 24 HG LEU 24 -9.437 7.798 -2.722 166 1HD1 LEU 24 1HD1 LEU 24 -8.485 9.300 -4.375 167 2HD1 LEU 24 2HD1 LEU 24 -8.189 9.921 -2.733 168 3HD1 LEU 24 3HD1 LEU 24 -6.874 9.132 -3.637 169 1HD2 LEU 24 1HD2 LEU 24 -7.474 6.997 -4.662 170 2HD2 LEU 24 2HD2 LEU 24 -7.457 5.866 -3.287 171 3HD2 LEU 24 3HD2 LEU 24 -8.975 6.179 -4.163 172 H LEU 25 H LEU 25 -6.199 5.391 0.238 173 HA LEU 25 HA LEU 25 -6.833 5.783 3.041 174 1HB LEU 25 1HB LEU 25 -5.909 3.646 1.849 175 2HB LEU 25 2HB LEU 25 -4.361 4.452 2.000 176 HG LEU 25 HG LEU 25 -5.263 2.762 3.832 177 1HD1 LEU 25 1HD1 LEU 25 -3.263 3.333 4.600 178 2HD1 LEU 25 2HD1 LEU 25 -3.351 4.917 3.792 179 3HD1 LEU 25 3HD1 LEU 25 -4.018 4.715 5.429 180 1HD2 LEU 25 1HD2 LEU 25 -6.256 5.377 4.978 181 2HD2 LEU 25 2HD2 LEU 25 -7.323 4.184 4.198 182 3HD2 LEU 25 3HD2 LEU 25 -6.409 3.739 5.659 183 H SER 26 H SER 26 -4.722 6.355 4.425 184 HA SER 26 HA SER 26 -3.417 8.578 3.072 185 1HB SER 26 1HB SER 26 -3.753 10.038 4.936 186 2HB SER 26 2HB SER 26 -5.316 9.316 4.611 187 HG SER 26 HG SER 26 -3.947 9.286 6.922 188 H PHE 27 H PHE 27 -1.215 8.329 3.155 189 HA PHE 27 HA PHE 27 -0.015 7.330 5.578 190 1HB PHE 27 1HB PHE 27 1.243 5.582 4.175 191 2HB PHE 27 2HB PHE 27 -0.467 5.242 4.354 192 HD1 PHE 27 1HD PHE 27 -1.998 5.532 2.461 193 HD2 PHE 27 2HD PHE 27 2.172 6.188 2.030 194 HE1 PHE 27 1HE PHE 27 -2.240 5.428 -0.035 195 HE2 PHE 27 2HE PHE 27 1.931 6.084 -0.466 196 HZ PHE 27 HZ PHE 27 -0.272 5.705 -1.469 197 H ALA 28 H ALA 28 2.418 7.503 5.481 198 HA ALA 28 HA ALA 28 3.167 9.618 3.580 199 1HB ALA 28 1HB ALA 28 2.974 10.027 6.181 200 2HB ALA 28 2HB ALA 28 4.542 9.185 6.226 201 3HB ALA 28 3HB ALA 28 4.361 10.678 5.275 202 H GLN 29 H GLN 29 5.194 9.450 2.533 203 HA GLN 29 HA GLN 29 5.982 7.049 1.707 204 1HB GLN 29 1HB GLN 29 6.792 9.124 0.706 205 2HB GLN 29 2HB GLN 29 7.698 9.528 2.150 206 1HG GLN 29 1HG GLN 29 8.722 7.030 1.610 207 2HG GLN 29 2HG GLN 29 8.349 7.574 -0.014 208 1HE2 GLN 29 1HE2 GLN 29 9.760 8.790 -1.022 209 2HE2 GLN 29 2HE2 GLN 29 11.068 9.679 -0.316 210 H GLY 30 H GLY 30 6.870 5.247 2.618 211 1HA GLY 30 1HA GLY 30 8.718 4.319 3.841 212 2HA GLY 30 2HA GLY 30 8.574 5.622 5.004 213 H ASP 31 H ASP 31 5.577 5.571 5.027 214 HA ASP 31 HA ASP 31 5.201 3.956 7.166 215 1HB ASP 31 1HB ASP 31 3.298 5.016 5.047 216 2HB ASP 31 2HB ASP 31 2.692 4.045 6.374 217 H VAL 32 H VAL 32 3.979 1.871 7.387 218 HA VAL 32 HA VAL 32 4.216 0.224 4.964 219 HB VAL 32 HB VAL 32 4.625 -0.430 7.883 220 1HG1 VAL 32 1HG1 VAL 32 3.718 -2.153 5.716 221 2HG1 VAL 32 2HG1 VAL 32 5.271 -2.703 6.392 222 3HG1 VAL 32 3HG1 VAL 32 3.861 -2.489 7.459 223 1HG2 VAL 32 1HG2 VAL 32 6.600 -1.164 5.784 224 2HG2 VAL 32 2HG2 VAL 32 6.425 0.571 6.141 225 3HG2 VAL 32 3HG2 VAL 32 6.851 -0.566 7.442 226 H LEU 33 H LEU 33 2.412 -0.868 4.261 227 HA LEU 33 HA LEU 33 0.065 -0.699 6.020 228 1HB LEU 33 1HB LEU 33 -0.196 -0.638 3.044 229 2HB LEU 33 2HB LEU 33 -1.306 -0.074 4.277 230 HG LEU 33 HG LEU 33 1.337 1.312 3.955 231 1HD1 LEU 33 1HD1 LEU 33 0.661 2.630 2.151 232 2HD1 LEU 33 2HD1 LEU 33 0.187 0.980 1.678 233 3HD1 LEU 33 3HD1 LEU 33 -1.039 2.118 2.286 234 1HD2 LEU 33 1HD2 LEU 33 -0.016 3.274 4.648 235 2HD2 LEU 33 2HD2 LEU 33 -1.433 2.207 4.797 236 3HD2 LEU 33 3HD2 LEU 33 -0.015 1.955 5.843 237 H THR 34 H THR 34 -1.260 -2.535 6.133 238 HA THR 34 HA THR 34 0.017 -4.949 5.088 239 HB THR 34 HB THR 34 -2.147 -4.452 7.200 240 HG1 THR 34 1HG THR 34 -0.323 -4.699 8.558 241 1HG2 THR 34 1HG2 THR 34 -0.714 -6.946 7.476 242 2HG2 THR 34 2HG2 THR 34 -2.463 -6.712 7.249 243 3HG2 THR 34 3HG2 THR 34 -1.398 -6.886 5.834 244 H LEU 35 H LEU 35 -0.697 -5.994 3.344 245 HA LEU 35 HA LEU 35 -2.954 -4.999 1.955 246 1HB LEU 35 1HB LEU 35 -1.110 -7.348 1.573 247 2HB LEU 35 2HB LEU 35 -2.480 -7.061 0.518 248 HG LEU 35 HG LEU 35 -1.032 -4.613 0.699 249 1HD1 LEU 35 1HD1 LEU 35 1.006 -6.104 -0.556 250 2HD1 LEU 35 2HD1 LEU 35 1.102 -5.162 0.951 251 3HD1 LEU 35 3HD1 LEU 35 0.695 -6.893 1.009 252 1HD2 LEU 35 1HD2 LEU 35 -1.709 -6.625 -1.413 253 2HD2 LEU 35 2HD2 LEU 35 -2.202 -4.922 -1.251 254 3HD2 LEU 35 3HD2 LEU 35 -0.552 -5.324 -1.786 255 H LEU 36 H LEU 36 -4.991 -5.995 1.566 256 HA LEU 36 HA LEU 36 -5.671 -7.996 3.608 257 1HB LEU 36 1HB LEU 36 -7.454 -5.901 2.360 258 2HB LEU 36 2HB LEU 36 -7.921 -7.071 3.578 259 HG LEU 36 HG LEU 36 -5.871 -4.872 3.966 260 1HD1 LEU 36 1HD1 LEU 36 -8.086 -4.513 5.675 261 2HD1 LEU 36 2HD1 LEU 36 -7.576 -3.497 4.305 262 3HD1 LEU 36 3HD1 LEU 36 -8.745 -4.815 4.049 263 1HD2 LEU 36 1HD2 LEU 36 -5.199 -5.965 5.773 264 2HD2 LEU 36 2HD2 LEU 36 -6.851 -5.880 6.431 265 3HD2 LEU 36 3HD2 LEU 36 -6.357 -7.275 5.441 266 H ILE 37 H ILE 37 -6.341 -6.819 0.249 267 HA ILE 37 HA ILE 37 -7.252 -9.539 -0.366 268 HB ILE 37 HB ILE 37 -8.386 -8.538 -2.279 269 1HG1 ILE 37 1HG1 ILE 37 -7.949 -5.766 -1.266 270 2HG1 ILE 37 2HG1 ILE 37 -6.641 -6.504 -2.168 271 1HG2 ILE 37 1HG2 ILE 37 -9.602 -6.785 -0.374 272 2HG2 ILE 37 2HG2 ILE 37 -10.147 -8.381 -0.943 273 3HG2 ILE 37 3HG2 ILE 37 -9.062 -8.260 0.463 274 1HD1 ILE 37 1HD1 ILE 37 -8.050 -6.884 -4.096 275 2HD1 ILE 37 2HD1 ILE 37 -9.518 -6.476 -3.176 276 3HD1 ILE 37 3HD1 ILE 37 -8.334 -5.207 -3.571 277 HA PRO 38 HA PRO 38 -3.615 -9.981 -2.673 278 1HB PRO 38 1HB PRO 38 -4.210 -12.306 -3.980 279 2HB PRO 38 2HB PRO 38 -3.605 -12.258 -2.336 280 1HG PRO 38 1HG PRO 38 -6.353 -12.793 -3.285 281 2HG PRO 38 2HG PRO 38 -5.641 -13.151 -1.724 282 1HD PRO 38 1HD PRO 38 -7.443 -11.005 -2.336 283 2HD PRO 38 2HD PRO 38 -6.641 -11.295 -0.805 284 H GLU 39 H GLU 39 -6.644 -9.385 -3.986 285 HA GLU 39 HA GLU 39 -5.561 -9.261 -6.657 286 1HB GLU 39 1HB GLU 39 -8.089 -9.870 -5.621 287 2HB GLU 39 2HB GLU 39 -8.307 -8.257 -6.270 288 1HG GLU 39 1HG GLU 39 -8.747 -9.588 -8.155 289 2HG GLU 39 2HG GLU 39 -7.059 -9.183 -8.395 290 H GLU 40 H GLU 40 -6.344 -7.177 -7.963 291 HA GLU 40 HA GLU 40 -5.882 -4.876 -6.231 292 1HB GLU 40 1HB GLU 40 -4.558 -3.851 -8.084 293 2HB GLU 40 2HB GLU 40 -3.820 -5.314 -7.462 294 1HG GLU 40 1HG GLU 40 -5.698 -5.418 -9.851 295 2HG GLU 40 2HG GLU 40 -4.007 -5.009 -10.060 296 H LYS 41 H LYS 41 -7.114 -3.002 -6.688 297 HA LYS 41 HA LYS 41 -9.466 -3.507 -8.249 298 1HB LYS 41 1HB LYS 41 -9.488 -2.365 -6.033 299 2HB LYS 41 2HB LYS 41 -8.618 -1.018 -6.738 300 1HG LYS 41 1HG LYS 41 -10.493 -0.789 -8.447 301 2HG LYS 41 2HG LYS 41 -11.377 -2.025 -7.575 302 1HD LYS 41 1HD LYS 41 -10.766 -0.352 -5.496 303 2HD LYS 41 2HD LYS 41 -10.818 0.815 -6.802 304 1HE LYS 41 1HE LYS 41 -13.063 0.785 -6.110 305 2HE LYS 41 2HE LYS 41 -13.095 -0.349 -7.445 306 1HZ LYS 41 1HZ LYS 41 -12.848 -2.135 -5.853 307 2HZ LYS 41 2HZ LYS 41 -12.827 -1.076 -4.611 308 3HZ LYS 41 3HZ LYS 41 -14.175 -1.245 -5.516 309 H ASP 42 H ASP 42 -7.975 -3.863 -10.233 310 HA ASP 42 HA ASP 42 -7.358 -3.208 -12.204 311 1HB ASP 42 1HB ASP 42 -9.087 -0.864 -11.394 312 2HB ASP 42 2HB ASP 42 -8.155 -0.740 -12.872 313 H GLY 43 H GLY 43 -5.449 -2.902 -10.156 314 1HA GLY 43 1HA GLY 43 -3.270 -1.946 -10.602 315 2HA GLY 43 2HA GLY 43 -4.053 -0.418 -10.953 316 H TRP 44 H TRP 44 -5.900 -0.096 -8.901 317 HA TRP 44 HA TRP 44 -4.222 0.703 -6.780 318 1HB TRP 44 1HB TRP 44 -7.235 0.523 -6.964 319 2HB TRP 44 2HB TRP 44 -6.349 1.309 -5.672 320 HD1 TRP 44 HD TRP 44 -6.603 1.673 -9.563 321 HE1 TRP 44 1HE TRP 44 -6.406 4.209 -10.264 322 HE3 TRP 44 3HE TRP 44 -5.807 3.453 -4.866 323 HZ2 TRP 44 2HZ TRP 44 -5.950 6.621 -8.808 324 HZ3 TRP 44 3HZ TRP 44 -5.496 5.911 -4.594 325 HH2 TRP 44 HH TRP 44 -5.557 7.477 -6.469 326 H LEU 45 H LEU 45 -4.157 -0.140 -4.591 327 HA LEU 45 HA LEU 45 -5.183 -2.878 -4.355 328 1HB LEU 45 1HB LEU 45 -2.407 -1.868 -4.084 329 2HB LEU 45 2HB LEU 45 -2.944 -3.023 -2.879 330 HG LEU 45 HG LEU 45 -3.059 -3.493 -5.871 331 1HD1 LEU 45 1HD1 LEU 45 -0.811 -3.538 -4.119 332 2HD1 LEU 45 2HD1 LEU 45 -1.196 -5.215 -4.577 333 3HD1 LEU 45 3HD1 LEU 45 -0.901 -3.993 -5.838 334 1HD2 LEU 45 1HD2 LEU 45 -3.087 -5.803 -4.063 335 2HD2 LEU 45 2HD2 LEU 45 -4.508 -4.744 -3.903 336 3HD2 LEU 45 3HD2 LEU 45 -4.090 -5.439 -5.488 337 H TYR 46 H TYR 46 -5.776 -3.521 -2.201 338 HA TYR 46 HA TYR 46 -6.266 -1.192 -0.480 339 1HB TYR 46 1HB TYR 46 -8.094 -2.792 -1.555 340 2HB TYR 46 2HB TYR 46 -7.507 -4.003 -0.432 341 HD1 TYR 46 1HD TYR 46 -8.491 -4.173 1.675 342 HD2 TYR 46 2HD TYR 46 -8.803 -0.484 -0.469 343 HE1 TYR 46 1HE TYR 46 -10.043 -3.255 3.467 344 HE2 TYR 46 2HE TYR 46 -10.354 0.422 1.331 345 HH TYR 46 HH TYR 46 -11.022 0.102 3.456 346 H GLY 47 H GLY 47 -5.647 -1.204 1.685 347 1HA GLY 47 1HA GLY 47 -4.622 -3.626 2.891 348 2HA GLY 47 2HA GLY 47 -3.398 -2.429 2.518 349 H GLU 48 H GLU 48 -3.368 -2.740 5.072 350 HA GLU 48 HA GLU 48 -5.150 -0.689 6.135 351 1HB GLU 48 1HB GLU 48 -5.704 -2.948 7.013 352 2HB GLU 48 2HB GLU 48 -4.057 -3.146 7.575 353 1HG GLU 48 1HG GLU 48 -4.517 -0.857 8.854 354 2HG GLU 48 2HG GLU 48 -6.201 -1.281 8.620 355 H HIS 49 H HIS 49 -4.224 0.873 7.554 356 HA HIS 49 HA HIS 49 -1.380 1.136 7.215 357 1HB HIS 49 1HB HIS 49 -3.098 2.998 6.955 358 2HB HIS 49 2HB HIS 49 -3.263 2.981 8.700 359 HD1 HIS 49 1HD HIS 49 -0.527 2.983 9.821 360 HD2 HIS 49 2HD HIS 49 -1.426 5.028 6.270 361 HE1 HIS 49 1HE HIS 49 1.286 4.756 9.538 362 H ASP 50 H ASP 50 0.170 1.241 8.922 363 HA ASP 50 HA ASP 50 -0.661 -0.328 11.187 364 1HB ASP 50 1HB ASP 50 1.498 -0.671 9.772 365 2HB ASP 50 2HB ASP 50 2.128 0.743 10.593 366 H THR 51 H THR 51 -1.838 2.208 11.267 367 HA THR 51 HA THR 51 -0.640 3.324 13.631 368 HB THR 51 HB THR 51 -0.704 4.831 10.970 369 HG1 THR 51 1HG THR 51 1.557 4.910 11.513 370 1HG2 THR 51 1HG2 THR 51 0.502 6.374 13.050 371 2HG2 THR 51 2HG2 THR 51 -0.981 6.769 12.148 372 3HG2 THR 51 3HG2 THR 51 -1.084 5.861 13.676 373 H THR 52 H THR 52 -2.851 4.659 11.098 374 HA THR 52 HA THR 52 -4.767 5.358 13.072 375 HB THR 52 HB THR 52 -5.955 6.252 11.171 376 HG1 THR 52 1HG THR 52 -4.313 4.229 9.828 377 1HG2 THR 52 1HG2 THR 52 -3.312 6.243 9.779 378 2HG2 THR 52 2HG2 THR 52 -4.340 7.621 10.240 379 3HG2 THR 52 3HG2 THR 52 -3.275 6.862 11.447 380 H LYS 53 H LYS 53 -4.071 2.422 11.312 381 HA LYS 53 HA LYS 53 -4.983 0.411 11.464 382 1HB LYS 53 1HB LYS 53 -6.909 1.557 13.506 383 2HB LYS 53 2HB LYS 53 -6.574 -0.138 13.220 384 1HG LYS 53 1HG LYS 53 -4.359 1.816 13.961 385 2HG LYS 53 2HG LYS 53 -5.327 1.023 15.188 386 1HD LYS 53 1HD LYS 53 -4.332 -0.869 13.147 387 2HD LYS 53 2HD LYS 53 -3.031 -0.027 13.965 388 1HE LYS 53 1HE LYS 53 -3.828 -0.752 16.155 389 2HE LYS 53 2HE LYS 53 -5.317 -1.375 15.472 390 1HZ LYS 53 1HZ LYS 53 -2.761 -2.403 14.521 391 2HZ LYS 53 2HZ LYS 53 -3.386 -2.961 15.923 392 3HZ LYS 53 3HZ LYS 53 -4.222 -3.133 14.531 393 H ALA 54 H ALA 54 -6.132 2.989 9.960 394 HA ALA 54 HA ALA 54 -8.718 1.844 9.233 395 1HB ALA 54 1HB ALA 54 -7.517 4.463 8.287 396 2HB ALA 54 2HB ALA 54 -9.231 3.990 8.358 397 3HB ALA 54 3HB ALA 54 -8.335 4.315 9.861 398 H ARG 55 H ARG 55 -9.235 1.334 7.030 399 HA ARG 55 HA ARG 55 -6.830 0.897 5.450 400 1HB ARG 55 1HB ARG 55 -9.447 -0.625 5.106 401 2HB ARG 55 2HB ARG 55 -7.856 -1.086 4.535 402 1HG ARG 55 1HG ARG 55 -7.470 -2.215 6.460 403 2HG ARG 55 2HG ARG 55 -7.660 -0.737 7.382 404 1HD ARG 55 1HD ARG 55 -10.291 -1.284 6.893 405 2HD ARG 55 2HD ARG 55 -9.654 -2.917 6.853 406 HE ARG 55 HE ARG 55 -8.552 -1.626 9.140 407 1HH1 ARG 55 2HH2 ARG 55 -11.679 -2.726 7.961 408 2HH1 ARG 55 1HH2 ARG 55 -12.325 -2.996 9.545 409 1HH2 ARG 55 2HH1 ARG 55 -9.403 -1.982 11.231 410 2HH2 ARG 55 1HH1 ARG 55 -11.022 -2.570 11.418 411 H GLY 56 H GLY 56 -6.794 1.681 3.312 412 1HA GLY 56 1HA GLY 56 -9.303 2.837 2.272 413 2HA GLY 56 2HA GLY 56 -7.830 3.784 2.326 414 H TRP 57 H TRP 57 -8.335 3.844 -0.109 415 HA TRP 57 HA TRP 57 -7.271 1.421 -1.392 416 1HB TRP 57 1HB TRP 57 -9.259 3.483 -2.315 417 2HB TRP 57 2HB TRP 57 -8.388 2.477 -3.454 418 HD1 TRP 57 HD TRP 57 -11.367 2.377 -1.147 419 HE1 TRP 57 1HE TRP 57 -12.586 0.037 -1.172 420 HE3 TRP 57 3HE TRP 57 -7.711 -0.090 -3.677 421 HZ2 TRP 57 2HZ TRP 57 -11.899 -2.526 -2.222 422 HZ3 TRP 57 3HZ TRP 57 -8.064 -2.510 -4.161 423 HH2 TRP 57 HH TRP 57 -10.071 -3.726 -3.478 424 H PHE 58 H PHE 58 -5.365 1.628 -2.550 425 HA PHE 58 HA PHE 58 -4.469 4.315 -3.211 426 1HB PHE 58 1HB PHE 58 -2.188 3.595 -2.211 427 2HB PHE 58 2HB PHE 58 -3.443 3.908 -1.028 428 HD1 PHE 58 1HD PHE 58 -3.871 2.321 0.603 429 HD2 PHE 58 2HD PHE 58 -1.976 1.095 -2.991 430 HE1 PHE 58 1HE PHE 58 -3.542 0.024 1.560 431 HE2 PHE 58 2HE PHE 58 -1.647 -1.201 -2.034 432 HZ PHE 58 HZ PHE 58 -2.434 -1.710 0.230 433 HA PRO 59 HA PRO 59 -2.952 2.239 -6.696 434 1HB PRO 59 1HB PRO 59 -1.015 3.954 -7.576 435 2HB PRO 59 2HB PRO 59 -2.724 4.207 -7.869 436 1HG PRO 59 1HG PRO 59 -0.950 5.587 -5.950 437 2HG PRO 59 2HG PRO 59 -2.514 6.092 -6.558 438 1HD PRO 59 1HD PRO 59 -1.956 4.967 -3.979 439 2HD PRO 59 2HD PRO 59 -3.534 5.363 -4.630 440 H SER 60 H SER 60 -1.858 0.403 -6.962 441 HA SER 60 HA SER 60 -0.020 -0.372 -5.126 442 1HB SER 60 1HB SER 60 0.330 -2.261 -6.486 443 2HB SER 60 2HB SER 60 -1.259 -1.715 -6.983 444 HG SER 60 HG SER 60 0.213 -0.379 -8.622 445 H SER 61 H SER 61 0.340 1.865 -7.783 446 HA SER 61 HA SER 61 3.089 1.486 -8.198 447 1HB SER 61 1HB SER 61 0.964 3.256 -9.149 448 2HB SER 61 2HB SER 61 2.440 4.160 -8.877 449 HG SER 61 HG SER 61 2.638 1.663 -10.251 450 H TYR 62 H TYR 62 1.105 3.344 -5.906 451 HA TYR 62 HA TYR 62 3.314 4.968 -5.027 452 1HB TYR 62 1HB TYR 62 0.380 4.440 -4.414 453 2HB TYR 62 2HB TYR 62 1.321 5.224 -3.161 454 HD1 TYR 62 1HD TYR 62 -0.014 7.262 -3.265 455 HD2 TYR 62 2HD TYR 62 2.066 5.825 -6.716 456 HE1 TYR 62 1HE TYR 62 -0.358 9.504 -4.414 457 HE2 TYR 62 2HE TYR 62 1.715 8.071 -7.854 458 HH TYR 62 HH TYR 62 1.216 10.235 -7.444 459 H THR 63 H THR 63 2.927 1.759 -4.781 460 HA THR 63 HA THR 63 4.230 1.695 -2.177 461 HB THR 63 HB THR 63 2.664 -0.187 -1.486 462 HG1 THR 63 1HG THR 63 1.753 -0.787 -3.482 463 1HG2 THR 63 1HG2 THR 63 2.144 2.127 -0.678 464 2HG2 THR 63 2HG2 THR 63 1.266 2.448 -2.192 465 3HG2 THR 63 3HG2 THR 63 0.653 1.230 -1.049 466 H LYS 64 H LYS 64 5.476 -0.240 -1.808 467 HA LYS 64 HA LYS 64 5.857 -1.833 -4.236 468 1HB LYS 64 1HB LYS 64 8.049 -0.509 -2.612 469 2HB LYS 64 2HB LYS 64 8.318 -1.717 -3.851 470 1HG LYS 64 1HG LYS 64 6.836 -0.081 -5.351 471 2HG LYS 64 2HG LYS 64 7.299 1.115 -4.157 472 1HD LYS 64 1HD LYS 64 9.268 1.369 -5.251 473 2HD LYS 64 2HD LYS 64 9.704 -0.255 -4.757 474 1HE LYS 64 1HE LYS 64 7.850 -0.210 -7.069 475 2HE LYS 64 2HE LYS 64 9.367 0.606 -7.393 476 1HZ LYS 64 1HZ LYS 64 9.035 -2.012 -7.544 477 2HZ LYS 64 2HZ LYS 64 10.482 -1.305 -7.273 478 3HZ LYS 64 3HZ LYS 64 9.617 -1.900 -6.023 479 H LEU 65 H LEU 65 6.883 -3.957 -3.798 480 HA LEU 65 HA LEU 65 5.803 -5.030 -1.367 481 1HB LEU 65 1HB LEU 65 7.112 -6.147 -3.822 482 2HB LEU 65 2HB LEU 65 6.912 -7.147 -2.397 483 HG LEU 65 HG LEU 65 4.479 -5.715 -3.308 484 1HD1 LEU 65 1HD1 LEU 65 4.013 -7.122 -5.172 485 2HD1 LEU 65 2HD1 LEU 65 5.621 -6.405 -5.438 486 3HD1 LEU 65 3HD1 LEU 65 5.479 -8.092 -4.890 487 1HD2 LEU 65 1HD2 LEU 65 5.059 -7.750 -1.529 488 2HD2 LEU 65 2HD2 LEU 65 3.446 -7.302 -2.132 489 3HD2 LEU 65 3HD2 LEU 65 4.361 -8.608 -2.923 490 H LEU 66 H LEU 66 6.863 -5.441 0.514 491 HA LEU 66 HA LEU 66 9.425 -4.378 0.898 492 1HB LEU 66 1HB LEU 66 7.757 -6.259 2.571 493 2HB LEU 66 2HB LEU 66 9.252 -5.521 3.111 494 HG LEU 66 HG LEU 66 6.583 -4.239 2.593 495 1HD1 LEU 66 1HD1 LEU 66 7.647 -3.105 4.835 496 2HD1 LEU 66 2HD1 LEU 66 6.588 -4.536 4.816 497 3HD1 LEU 66 3HD1 LEU 66 8.355 -4.737 4.892 498 1HD2 LEU 66 1HD2 LEU 66 9.271 -2.966 2.283 499 2HD2 LEU 66 2HD2 LEU 66 7.751 -2.670 1.406 500 3HD2 LEU 66 3HD2 LEU 66 7.965 -2.037 3.056 501 H SER 67 H SER 67 11.249 -5.802 1.946 502 HA SER 67 HA SER 67 11.463 -8.226 0.341 503 1HB SER 67 1HB SER 67 13.858 -7.755 0.012 504 2HB SER 67 2HB SER 67 12.883 -6.443 -0.621 505 HG SER 67 HG SER 67 14.824 -5.889 0.777 506 H GLY 68 H GLY 68 10.817 -9.541 2.146 507 1HA GLY 68 1HA GLY 68 12.301 -9.291 4.640 508 2HA GLY 68 2HA GLY 68 10.939 -10.340 4.304 509 HA PRO 69 HA PRO 69 14.397 -13.157 4.153 510 1HB PRO 69 1HB PRO 69 13.098 -15.304 5.235 511 2HB PRO 69 2HB PRO 69 13.979 -14.133 6.196 512 1HG PRO 69 1HG PRO 69 11.057 -14.443 5.874 513 2HG PRO 69 2HG PRO 69 11.939 -13.588 7.124 514 1HD PRO 69 1HD PRO 69 10.560 -12.424 4.895 515 2HD PRO 69 2HD PRO 69 11.539 -11.580 6.079 516 H SER 70 H SER 70 14.538 -13.110 1.902 517 HA SER 70 HA SER 70 12.552 -14.648 0.534 518 1HB SER 70 1HB SER 70 13.638 -13.891 -1.496 519 2HB SER 70 2HB SER 70 13.531 -12.527 -0.401 520 HG SER 70 HG SER 70 15.839 -13.451 0.261 521 H SER 71 H SER 71 13.135 -16.499 -0.909 522 HA SER 71 HA SER 71 15.350 -17.977 0.269 523 1HB SER 71 1HB SER 71 13.159 -19.050 0.563 524 2HB SER 71 2HB SER 71 12.832 -18.943 -1.155 525 HG SER 71 HG SER 71 13.671 -20.924 -1.176 526 H GLY 72 H GLY 72 17.104 -17.381 -1.047 527 1HA GLY 72 1HA GLY 72 17.964 -18.545 -3.172 528 2HA GLY 72 2HA GLY 72 16.732 -17.580 -3.961
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