NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
2572 | 1c3t | 4663 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 3.714 -20.080 -0.578 2 2H MET 1 2H MET 1 2.482 -20.666 -1.619 3 3H MET 1 3H MET 1 2.444 -19.040 -1.072 4 HA MET 1 HA MET 1 4.598 -20.180 -2.715 5 1HB MET 1 1HB MET 1 3.509 -19.161 -4.619 6 2HB MET 1 2HB MET 1 2.377 -20.254 -3.835 7 1HG MET 1 1HG MET 1 1.032 -18.562 -3.099 8 2HG MET 1 2HG MET 1 2.345 -17.387 -3.061 9 1HE MET 1 1HE MET 1 -0.121 -15.927 -4.393 10 2HE MET 1 2HE MET 1 -0.724 -17.563 -4.130 11 3HE MET 1 3HE MET 1 -0.822 -16.834 -5.733 12 H GLN 2 H GLN 2 5.543 -18.256 -4.003 13 HA GLN 2 HA GLN 2 6.066 -16.106 -2.075 14 1HB GLN 2 1HB GLN 2 7.743 -17.659 -3.766 15 2HB GLN 2 2HB GLN 2 7.823 -15.994 -4.325 16 1HG GLN 2 1HG GLN 2 9.427 -15.809 -2.781 17 2HG GLN 2 2HG GLN 2 8.073 -15.626 -1.666 18 1HE2 GLN 2 1HE2 GLN 2 7.155 -18.222 -1.556 19 2HE2 GLN 2 2HE2 GLN 2 8.346 -19.216 -0.796 20 H LEU 3 H LEU 3 6.017 -13.932 -2.691 21 HA LEU 3 HA LEU 3 4.898 -13.314 -5.328 22 1HB LEU 3 1HB LEU 3 3.736 -12.503 -2.671 23 2HB LEU 3 2HB LEU 3 3.368 -11.649 -4.157 24 HG LEU 3 HG LEU 3 2.923 -14.603 -4.019 25 1HD1 LEU 3 1HD1 LEU 3 1.129 -14.504 -2.689 26 2HD1 LEU 3 2HD1 LEU 3 0.587 -12.974 -3.377 27 3HD1 LEU 3 3HD1 LEU 3 1.817 -12.986 -2.114 28 1HD2 LEU 3 1HD2 LEU 3 1.578 -12.334 -5.481 29 2HD2 LEU 3 2HD2 LEU 3 1.126 -14.035 -5.599 30 3HD2 LEU 3 3HD2 LEU 3 2.709 -13.501 -6.166 31 H PHE 4 H PHE 4 5.865 -11.624 -6.260 32 HA PHE 4 HA PHE 4 7.793 -10.096 -4.693 33 1HB PHE 4 1HB PHE 4 7.321 -10.024 -7.678 34 2HB PHE 4 2HB PHE 4 8.708 -9.376 -6.811 35 HD1 PHE 4 HD1 PHE 4 8.406 -12.083 -4.967 36 HD2 PHE 4 HD2 PHE 4 9.122 -11.150 -9.066 37 HE1 PHE 4 HE1 PHE 4 9.583 -14.231 -5.247 38 HE2 PHE 4 HE2 PHE 4 10.299 -13.297 -9.354 39 HZ PHE 4 HZ PHE 4 10.529 -14.841 -7.442 40 H VAL 5 H VAL 5 7.698 -7.921 -4.358 41 HA VAL 5 HA VAL 5 5.438 -6.442 -5.512 42 HB VAL 5 HB VAL 5 6.200 -6.075 -2.627 43 1HG1 VAL 5 1HG1 VAL 5 4.601 -4.630 -4.340 44 2HG1 VAL 5 2HG1 VAL 5 4.556 -4.567 -2.577 45 3HG1 VAL 5 3HG1 VAL 5 3.447 -5.624 -3.450 46 1HG2 VAL 5 1HG2 VAL 5 4.701 -7.666 -1.884 47 2HG2 VAL 5 2HG2 VAL 5 5.408 -8.468 -3.287 48 3HG2 VAL 5 3HG2 VAL 5 3.824 -7.706 -3.414 49 H LYS 6 H LYS 6 5.796 -4.270 -5.879 50 HA LYS 6 HA LYS 6 8.463 -3.234 -5.193 51 1HB LYS 6 1HB LYS 6 8.611 -2.189 -7.410 52 2HB LYS 6 2HB LYS 6 8.508 -3.940 -7.527 53 1HG LYS 6 1HG LYS 6 5.901 -3.304 -7.719 54 2HG LYS 6 2HG LYS 6 6.630 -1.866 -8.436 55 1HD LYS 6 1HD LYS 6 7.365 -4.664 -9.268 56 2HD LYS 6 2HD LYS 6 6.074 -3.740 -10.039 57 1HE LYS 6 1HE LYS 6 7.570 -2.121 -10.848 58 2HE LYS 6 2HE LYS 6 8.857 -2.648 -9.766 59 1HZ LYS 6 1HZ LYS 6 8.058 -4.792 -11.418 60 2HZ LYS 6 2HZ LYS 6 9.574 -4.049 -11.304 61 3HZ LYS 6 3HZ LYS 6 8.418 -3.448 -12.382 62 H THR 7 H THR 7 8.625 -0.941 -5.043 63 HA THR 7 HA THR 7 6.029 0.386 -4.612 64 HB THR 7 HB THR 7 6.979 1.627 -2.810 65 HG1 THR 7 HG1 THR 7 9.452 0.520 -3.629 66 1HG2 THR 7 1HG2 THR 7 6.360 -0.528 -2.031 67 2HG2 THR 7 2HG2 THR 7 7.901 -0.109 -1.284 68 3HG2 THR 7 3HG2 THR 7 7.856 -1.240 -2.636 69 H LEU 8 H LEU 8 7.266 2.949 -4.130 70 HA LEU 8 HA LEU 8 7.616 3.757 -6.896 71 1HB LEU 8 1HB LEU 8 7.527 5.431 -4.384 72 2HB LEU 8 2HB LEU 8 7.480 6.039 -6.027 73 HG LEU 8 HG LEU 8 5.372 4.092 -5.303 74 1HD1 LEU 8 1HD1 LEU 8 4.770 6.849 -4.476 75 2HD1 LEU 8 2HD1 LEU 8 5.863 5.959 -3.415 76 3HD1 LEU 8 3HD1 LEU 8 4.262 5.312 -3.774 77 1HD2 LEU 8 1HD2 LEU 8 5.856 6.236 -7.197 78 2HD2 LEU 8 2HD2 LEU 8 4.268 6.351 -6.439 79 3HD2 LEU 8 3HD2 LEU 8 4.736 4.877 -7.287 80 H THR 9 H THR 9 9.686 2.351 -5.051 81 HA THR 9 HA THR 9 11.901 4.211 -5.619 82 HB THR 9 HB THR 9 13.004 3.563 -3.681 83 HG1 THR 9 HG1 THR 9 12.209 1.631 -2.505 84 1HG2 THR 9 1HG2 THR 9 10.099 3.301 -2.952 85 2HG2 THR 9 2HG2 THR 9 11.049 4.787 -2.980 86 3HG2 THR 9 3HG2 THR 9 11.424 3.522 -1.809 87 H GLY 10 H GLY 10 10.483 1.305 -6.469 88 1HA GLY 10 1HA GLY 10 11.185 -0.163 -8.132 89 2HA GLY 10 2HA GLY 10 12.774 0.583 -8.083 90 H LYS 11 H LYS 11 11.658 -0.245 -5.006 91 HA LYS 11 HA LYS 11 13.631 -2.340 -4.791 92 1HB LYS 11 1HB LYS 11 13.133 -0.568 -3.024 93 2HB LYS 11 2HB LYS 11 11.678 -1.485 -2.659 94 1HG LYS 11 1HG LYS 11 13.424 -3.468 -2.472 95 2HG LYS 11 2HG LYS 11 14.519 -2.130 -2.117 96 1HD LYS 11 1HD LYS 11 12.240 -1.597 -0.612 97 2HD LYS 11 2HD LYS 11 12.481 -3.339 -0.458 98 1HE LYS 11 1HE LYS 11 14.617 -1.266 0.019 99 2HE LYS 11 2HE LYS 11 13.643 -2.005 1.289 100 1HZ LYS 11 1HZ LYS 11 15.544 -3.286 1.277 101 2HZ LYS 11 2HZ LYS 11 15.716 -3.235 -0.405 102 3HZ LYS 11 3HZ LYS 11 14.512 -4.197 0.291 103 H THR 12 H THR 12 13.277 -4.454 -4.957 104 HA THR 12 HA THR 12 10.527 -5.392 -5.254 105 HB THR 12 HB THR 12 12.939 -7.134 -5.617 106 HG1 THR 12 HG1 THR 12 12.020 -5.136 -7.398 107 1HG2 THR 12 1HG2 THR 12 10.872 -8.262 -5.924 108 2HG2 THR 12 2HG2 THR 12 11.583 -7.998 -7.516 109 3HG2 THR 12 3HG2 THR 12 10.257 -6.975 -6.962 110 H LEU 13 H LEU 13 9.499 -6.559 -3.763 111 HA LEU 13 HA LEU 13 11.053 -7.523 -1.455 112 1HB LEU 13 1HB LEU 13 8.664 -5.955 -1.645 113 2HB LEU 13 2HB LEU 13 8.292 -7.467 -0.839 114 HG LEU 13 HG LEU 13 10.632 -6.625 0.395 115 1HD1 LEU 13 1HD1 LEU 13 9.200 -4.333 -0.685 116 2HD1 LEU 13 2HD1 LEU 13 10.813 -4.434 0.020 117 3HD1 LEU 13 3HD1 LEU 13 9.403 -4.260 1.064 118 1HD2 LEU 13 1HD2 LEU 13 7.731 -6.439 1.155 119 2HD2 LEU 13 2HD2 LEU 13 9.036 -6.037 2.272 120 3HD2 LEU 13 3HD2 LEU 13 8.910 -7.669 1.615 121 H THR 14 H THR 14 10.288 -9.494 -0.416 122 HA THR 14 HA THR 14 8.807 -11.285 -2.216 123 HB THR 14 HB THR 14 11.308 -12.059 -0.705 124 HG1 THR 14 HG1 THR 14 10.881 -11.284 -3.376 125 1HG2 THR 14 1HG2 THR 14 10.963 -14.168 -1.285 126 2HG2 THR 14 2HG2 THR 14 10.543 -13.723 -2.938 127 3HG2 THR 14 3HG2 THR 14 9.311 -13.695 -1.676 128 H VAL 15 H VAL 15 7.039 -11.911 -1.177 129 HA VAL 15 HA VAL 15 7.245 -12.525 1.699 130 HB VAL 15 HB VAL 15 5.005 -11.761 2.058 131 1HG1 VAL 15 1HG1 VAL 15 5.320 -9.343 0.895 132 2HG1 VAL 15 2HG1 VAL 15 6.966 -9.967 0.797 133 3HG1 VAL 15 3HG1 VAL 15 6.159 -9.851 2.361 134 1HG2 VAL 15 1HG2 VAL 15 4.877 -11.840 -0.888 135 2HG2 VAL 15 2HG2 VAL 15 4.016 -10.511 -0.110 136 3HG2 VAL 15 3HG2 VAL 15 3.631 -12.179 0.315 137 H GLU 16 H GLU 16 5.768 -14.169 2.480 138 HA GLU 16 HA GLU 16 5.143 -16.154 0.397 139 1HB GLU 16 1HB GLU 16 6.444 -16.344 2.991 140 2HB GLU 16 2HB GLU 16 5.100 -17.468 2.851 141 1HG GLU 16 1HG GLU 16 6.948 -17.353 0.557 142 2HG GLU 16 2HG GLU 16 7.590 -18.028 2.055 143 H LEU 17 H LEU 17 3.045 -16.054 -0.095 144 HA LEU 17 HA LEU 17 1.109 -16.216 2.098 145 1HB LEU 17 1HB LEU 17 1.490 -13.934 0.472 146 2HB LEU 17 2HB LEU 17 -0.013 -14.676 -0.041 147 HG LEU 17 HG LEU 17 -0.858 -14.572 2.264 148 1HD1 LEU 17 1HD1 LEU 17 0.993 -14.739 3.655 149 2HD1 LEU 17 2HD1 LEU 17 0.515 -13.050 3.826 150 3HD1 LEU 17 3HD1 LEU 17 1.879 -13.481 2.795 151 1HD2 LEU 17 1HD2 LEU 17 0.198 -11.895 1.377 152 2HD2 LEU 17 2HD2 LEU 17 -1.235 -12.211 2.355 153 3HD2 LEU 17 3HD2 LEU 17 -1.198 -12.698 0.661 154 H GLU 18 H GLU 18 -0.782 -17.339 1.620 155 HA GLU 18 HA GLU 18 -0.570 -19.103 -0.691 156 1HB GLU 18 1HB GLU 18 -2.521 -19.179 1.618 157 2HB GLU 18 2HB GLU 18 -2.302 -20.431 0.404 158 1HG GLU 18 1HG GLU 18 0.073 -19.613 1.976 159 2HG GLU 18 2HG GLU 18 -1.174 -20.553 2.795 160 HA PRO 19 HA PRO 19 -3.700 -17.241 -3.150 161 1HB PRO 19 1HB PRO 19 -5.127 -19.429 -3.992 162 2HB PRO 19 2HB PRO 19 -3.566 -18.946 -4.666 163 1HG PRO 19 1HG PRO 19 -4.183 -21.033 -2.610 164 2HG PRO 19 2HG PRO 19 -3.046 -21.102 -3.970 165 1HD PRO 19 1HD PRO 19 -2.217 -20.652 -1.451 166 2HD PRO 19 2HD PRO 19 -1.433 -19.880 -2.845 167 H SER 20 H SER 20 -4.499 -19.115 -0.400 168 HA SER 20 HA SER 20 -7.341 -18.566 -0.518 169 1HB SER 20 1HB SER 20 -7.395 -19.707 1.694 170 2HB SER 20 2HB SER 20 -6.633 -20.685 0.440 171 HG SER 20 HG SER 20 -5.222 -20.819 2.067 172 H ASP 21 H ASP 21 -4.479 -17.260 0.974 173 HA ASP 21 HA ASP 21 -5.599 -15.767 3.040 174 1HB ASP 21 1HB ASP 21 -3.156 -15.363 1.330 175 2HB ASP 21 2HB ASP 21 -3.596 -14.199 2.576 176 H THR 22 H THR 22 -6.000 -13.451 3.156 177 HA THR 22 HA THR 22 -7.234 -12.459 0.675 178 HB THR 22 HB THR 22 -8.879 -11.396 1.933 179 HG1 THR 22 HG1 THR 22 -7.758 -10.271 3.426 180 1HG2 THR 22 1HG2 THR 22 -8.159 -14.024 3.065 181 2HG2 THR 22 2HG2 THR 22 -9.653 -13.481 2.303 182 3HG2 THR 22 3HG2 THR 22 -9.307 -13.043 3.976 183 H VAL 23 H VAL 23 -7.205 -10.130 0.325 184 HA VAL 23 HA VAL 23 -4.727 -9.015 0.181 185 HB VAL 23 HB VAL 23 -7.329 -7.527 0.564 186 1HG1 VAL 23 1HG1 VAL 23 -6.281 -5.574 0.220 187 2HG1 VAL 23 2HG1 VAL 23 -5.187 -6.260 -0.981 188 3HG1 VAL 23 3HG1 VAL 23 -4.836 -6.441 0.738 189 1HG2 VAL 23 1HG2 VAL 23 -6.033 -8.862 -1.733 190 2HG2 VAL 23 2HG2 VAL 23 -6.763 -7.289 -2.046 191 3HG2 VAL 23 3HG2 VAL 23 -7.742 -8.599 -1.388 192 H GLU 24 H GLU 24 -7.075 -8.537 2.809 193 HA GLU 24 HA GLU 24 -5.770 -6.712 4.369 194 1HB GLU 24 1HB GLU 24 -8.006 -7.931 4.779 195 2HB GLU 24 2HB GLU 24 -7.038 -9.148 5.598 196 1HG GLU 24 1HG GLU 24 -6.161 -6.785 6.708 197 2HG GLU 24 2HG GLU 24 -7.893 -6.528 6.500 198 H ASN 25 H ASN 25 -5.275 -10.232 4.390 199 HA ASN 25 HA ASN 25 -3.297 -10.321 6.358 200 1HB ASN 25 1HB ASN 25 -3.690 -12.118 3.956 201 2HB ASN 25 2HB ASN 25 -2.640 -12.486 5.321 202 1HD2 ASN 25 1HD2 ASN 25 -3.858 -12.158 7.503 203 2HD2 ASN 25 2HD2 ASN 25 -5.399 -12.935 7.587 204 H LEU 26 H LEU 26 -2.972 -10.096 2.819 205 HA LEU 26 HA LEU 26 -0.229 -10.091 2.593 206 1HB LEU 26 1HB LEU 26 -1.527 -10.097 0.612 207 2HB LEU 26 2HB LEU 26 -2.335 -8.603 1.046 208 HG LEU 26 HG LEU 26 -0.400 -7.303 0.561 209 1HD1 LEU 26 1HD1 LEU 26 1.174 -9.048 1.541 210 2HD1 LEU 26 2HD1 LEU 26 1.749 -8.137 0.146 211 3HD1 LEU 26 3HD1 LEU 26 1.164 -9.789 -0.059 212 1HD2 LEU 26 1HD2 LEU 26 -1.747 -8.066 -1.368 213 2HD2 LEU 26 2HD2 LEU 26 -0.627 -9.413 -1.581 214 3HD2 LEU 26 3HD2 LEU 26 -0.061 -7.754 -1.782 215 H LYS 27 H LYS 27 -2.344 -7.282 3.147 216 HA LYS 27 HA LYS 27 -0.396 -5.309 3.262 217 1HB LYS 27 1HB LYS 27 -2.761 -5.280 5.113 218 2HB LYS 27 2HB LYS 27 -2.004 -3.935 4.269 219 1HG LYS 27 1HG LYS 27 -2.853 -5.522 2.206 220 2HG LYS 27 2HG LYS 27 -4.128 -5.731 3.408 221 1HD LYS 27 1HD LYS 27 -4.978 -3.795 2.713 222 2HD LYS 27 2HD LYS 27 -3.569 -3.001 3.421 223 1HE LYS 27 1HE LYS 27 -2.383 -3.133 1.333 224 2HE LYS 27 2HE LYS 27 -3.676 -4.093 0.612 225 1HZ LYS 27 1HZ LYS 27 -4.937 -1.846 1.494 226 2HZ LYS 27 2HZ LYS 27 -4.479 -2.162 -0.103 227 3HZ LYS 27 3HZ LYS 27 -3.467 -1.254 0.904 228 H ALA 28 H ALA 28 -1.595 -7.456 5.805 229 HA ALA 28 HA ALA 28 -0.264 -6.393 7.992 230 1HB ALA 28 1HB ALA 28 -0.293 -9.323 7.923 231 2HB ALA 28 2HB ALA 28 -1.850 -8.573 7.571 232 3HB ALA 28 3HB ALA 28 -1.016 -8.207 9.082 233 H LYS 29 H LYS 29 0.874 -8.696 5.556 234 HA LYS 29 HA LYS 29 3.390 -9.222 6.691 235 1HB LYS 29 1HB LYS 29 2.883 -9.141 3.723 236 2HB LYS 29 2HB LYS 29 3.980 -10.185 4.614 237 1HG LYS 29 1HG LYS 29 0.979 -10.325 4.527 238 2HG LYS 29 2HG LYS 29 2.139 -11.508 3.919 239 1HD LYS 29 1HD LYS 29 2.291 -10.798 6.795 240 2HD LYS 29 2HD LYS 29 0.921 -11.781 6.271 241 1HE LYS 29 1HE LYS 29 2.607 -13.303 6.914 242 2HE LYS 29 2HE LYS 29 2.599 -13.299 5.151 243 1HZ LYS 29 1HZ LYS 29 4.382 -11.332 6.133 244 2HZ LYS 29 2HZ LYS 29 4.705 -12.658 5.133 245 3HZ LYS 29 3HZ LYS 29 4.755 -12.836 6.814 246 H ILE 30 H ILE 30 2.261 -6.702 4.497 247 HA ILE 30 HA ILE 30 4.796 -5.558 3.961 248 HB ILE 30 HB ILE 30 2.174 -4.067 3.970 249 1HG1 ILE 30 1HG1 ILE 30 3.334 -5.908 1.870 250 2HG1 ILE 30 2HG1 ILE 30 1.793 -6.081 2.706 251 1HG2 ILE 30 1HG2 ILE 30 3.647 -2.438 3.461 252 2HG2 ILE 30 2HG2 ILE 30 3.564 -3.156 1.852 253 3HG2 ILE 30 3HG2 ILE 30 4.889 -3.577 2.938 254 1HD1 ILE 30 1HD1 ILE 30 2.461 -4.562 0.333 255 2HD1 ILE 30 2HD1 ILE 30 1.597 -3.603 1.534 256 3HD1 ILE 30 3HD1 ILE 30 0.894 -5.104 0.931 257 H GLN 31 H GLN 31 2.658 -5.410 6.653 258 HA GLN 31 HA GLN 31 3.855 -2.999 7.747 259 1HB GLN 31 1HB GLN 31 1.447 -3.404 8.040 260 2HB GLN 31 2HB GLN 31 1.801 -4.884 8.918 261 1HG GLN 31 1HG GLN 31 2.691 -3.711 10.748 262 2HG GLN 31 2HG GLN 31 2.796 -2.208 9.834 263 1HE2 GLN 31 1HE2 GLN 31 1.625 -1.177 11.504 264 2HE2 GLN 31 2HE2 GLN 31 -0.090 -1.356 11.628 265 H ASP 32 H ASP 32 4.030 -6.466 8.130 266 HA ASP 32 HA ASP 32 5.586 -6.327 10.548 267 1HB ASP 32 1HB ASP 32 5.109 -8.520 10.743 268 2HB ASP 32 2HB ASP 32 3.966 -8.233 9.444 269 H LYS 33 H LYS 33 6.222 -5.958 7.270 270 HA LYS 33 HA LYS 33 9.052 -6.695 7.639 271 1HB LYS 33 1HB LYS 33 7.229 -6.826 5.279 272 2HB LYS 33 2HB LYS 33 8.939 -6.529 5.001 273 1HG LYS 33 1HG LYS 33 9.460 -8.591 6.264 274 2HG LYS 33 2HG LYS 33 7.728 -8.902 6.402 275 1HD LYS 33 1HD LYS 33 7.605 -8.848 3.902 276 2HD LYS 33 2HD LYS 33 9.368 -8.763 3.876 277 1HE LYS 33 1HE LYS 33 8.424 -10.901 5.582 278 2HE LYS 33 2HE LYS 33 7.809 -11.063 3.937 279 1HZ LYS 33 1HZ LYS 33 10.418 -10.428 3.569 280 2HZ LYS 33 2HZ LYS 33 9.772 -11.990 3.502 281 3HZ LYS 33 3HZ LYS 33 10.476 -11.427 4.934 282 H GLU 34 H GLU 34 7.132 -4.462 5.618 283 HA GLU 34 HA GLU 34 9.301 -2.526 5.712 284 1HB GLU 34 1HB GLU 34 6.698 -2.632 4.191 285 2HB GLU 34 2HB GLU 34 7.767 -1.236 4.149 286 1HG GLU 34 1HG GLU 34 8.096 -3.921 2.942 287 2HG GLU 34 2HG GLU 34 8.480 -2.328 2.291 288 H GLY 35 H GLY 35 6.289 -3.131 7.250 289 1HA GLY 35 1HA GLY 35 5.302 -2.042 9.029 290 2HA GLY 35 2HA GLY 35 6.657 -0.925 9.033 291 H ILE 36 H ILE 36 4.326 -1.633 6.453 292 HA ILE 36 HA ILE 36 3.586 1.220 6.490 293 HB ILE 36 HB ILE 36 3.427 -0.711 4.173 294 1HG1 ILE 36 1HG1 ILE 36 5.251 1.660 4.267 295 2HG1 ILE 36 2HG1 ILE 36 5.732 0.181 5.094 296 1HG2 ILE 36 1HG2 ILE 36 1.719 0.960 3.992 297 2HG2 ILE 36 2HG2 ILE 36 3.006 1.357 2.855 298 3HG2 ILE 36 3HG2 ILE 36 2.867 2.243 4.375 299 1HD1 ILE 36 1HD1 ILE 36 5.411 -1.034 2.945 300 2HD1 ILE 36 2HD1 ILE 36 6.703 0.166 2.929 301 3HD1 ILE 36 3HD1 ILE 36 5.154 0.528 2.168 302 HA PRO 37 HA PRO 37 -0.469 0.059 7.843 303 1HB PRO 37 1HB PRO 37 -1.275 2.507 6.365 304 2HB PRO 37 2HB PRO 37 -1.559 2.066 8.051 305 1HG PRO 37 1HG PRO 37 0.253 3.913 7.414 306 2HG PRO 37 2HG PRO 37 0.550 2.756 8.726 307 1HD PRO 37 1HD PRO 37 1.632 2.781 5.937 308 2HD PRO 37 2HD PRO 37 2.441 2.346 7.457 309 HA PRO 38 HA PRO 38 -2.274 -2.089 4.434 310 1HB PRO 38 1HB PRO 38 -4.861 -1.570 5.794 311 2HB PRO 38 2HB PRO 38 -4.129 -3.105 5.314 312 1HG PRO 38 1HG PRO 38 -4.194 -2.358 7.875 313 2HG PRO 38 2HG PRO 38 -2.789 -3.207 7.203 314 1HD PRO 38 1HD PRO 38 -3.132 -0.302 7.830 315 2HD PRO 38 2HD PRO 38 -1.708 -1.343 8.043 316 H ASP 39 H ASP 39 -4.212 0.675 5.596 317 HA ASP 39 HA ASP 39 -5.406 1.154 3.056 318 1HB ASP 39 1HB ASP 39 -5.848 2.011 5.673 319 2HB ASP 39 2HB ASP 39 -5.383 3.472 4.807 320 H GLN 40 H GLN 40 -2.301 1.623 4.056 321 HA GLN 40 HA GLN 40 -1.926 4.044 2.436 322 1HB GLN 40 1HB GLN 40 -0.308 2.758 4.611 323 2HB GLN 40 2HB GLN 40 0.453 3.863 3.475 324 1HG GLN 40 1HG GLN 40 -1.858 5.168 4.333 325 2HG GLN 40 2HG GLN 40 -1.167 4.429 5.778 326 1HE2 GLN 40 1HE2 GLN 40 -0.114 5.959 6.828 327 2HE2 GLN 40 2HE2 GLN 40 1.014 7.071 6.139 328 H GLN 41 H GLN 41 -2.139 0.974 1.770 329 HA GLN 41 HA GLN 41 0.148 0.994 -0.086 330 1HB GLN 41 1HB GLN 41 -0.827 -1.675 0.479 331 2HB GLN 41 2HB GLN 41 0.810 -1.039 0.570 332 1HG GLN 41 1HG GLN 41 0.594 -0.448 2.802 333 2HG GLN 41 2HG GLN 41 -1.168 -0.463 2.737 334 1HE2 GLN 41 1HE2 GLN 41 0.044 -1.746 4.766 335 2HE2 GLN 41 2HE2 GLN 41 -0.085 -3.458 4.573 336 H ARG 42 H ARG 42 -0.456 1.070 -2.136 337 HA ARG 42 HA ARG 42 -3.152 0.132 -2.849 338 1HB ARG 42 1HB ARG 42 -2.083 2.584 -3.286 339 2HB ARG 42 2HB ARG 42 -1.634 1.776 -4.782 340 1HG ARG 42 1HG ARG 42 -3.845 1.437 -5.411 341 2HG ARG 42 2HG ARG 42 -4.448 1.673 -3.769 342 1HD ARG 42 1HD ARG 42 -4.779 3.827 -4.179 343 2HD ARG 42 2HD ARG 42 -3.071 4.030 -4.570 344 HE ARG 42 HE ARG 42 -4.163 2.958 -6.829 345 1HH1 ARG 42 1HH1 ARG 42 -5.423 6.705 -6.195 346 2HH1 ARG 42 2HH1 ARG 42 -4.825 5.761 -4.871 347 1HH2 ARG 42 1HH2 ARG 42 -4.947 4.191 -8.578 348 2HH2 ARG 42 2HH2 ARG 42 -5.492 5.812 -8.303 349 H LEU 43 H LEU 43 -2.938 -1.954 -3.439 350 HA LEU 43 HA LEU 43 -0.695 -2.791 -5.092 351 1HB LEU 43 1HB LEU 43 -2.996 -4.515 -4.212 352 2HB LEU 43 2HB LEU 43 -1.381 -5.015 -4.677 353 HG LEU 43 HG LEU 43 -2.349 -3.915 -2.085 354 1HD1 LEU 43 1HD1 LEU 43 -1.679 -6.382 -2.852 355 2HD1 LEU 43 2HD1 LEU 43 -1.434 -5.790 -1.208 356 3HD1 LEU 43 3HD1 LEU 43 -0.089 -5.804 -2.348 357 1HD2 LEU 43 1HD2 LEU 43 0.269 -3.672 -1.680 358 2HD2 LEU 43 2HD2 LEU 43 -0.734 -2.324 -2.214 359 3HD2 LEU 43 3HD2 LEU 43 0.223 -3.230 -3.386 360 H ILE 44 H ILE 44 -0.907 -2.185 -7.165 361 HA ILE 44 HA ILE 44 -3.489 -2.643 -8.499 362 HB ILE 44 HB ILE 44 -1.170 -0.941 -9.423 363 1HG1 ILE 44 1HG1 ILE 44 -3.845 -0.136 -8.257 364 2HG1 ILE 44 2HG1 ILE 44 -2.291 -0.015 -7.436 365 1HG2 ILE 44 1HG2 ILE 44 -3.342 -2.040 -10.847 366 2HG2 ILE 44 2HG2 ILE 44 -2.157 -0.861 -11.407 367 3HG2 ILE 44 3HG2 ILE 44 -3.661 -0.315 -10.665 368 1HD1 ILE 44 1HD1 ILE 44 -1.682 1.424 -9.557 369 2HD1 ILE 44 2HD1 ILE 44 -2.514 2.120 -8.167 370 3HD1 ILE 44 3HD1 ILE 44 -3.429 1.654 -9.600 371 H PHE 45 H PHE 45 -3.097 -4.906 -8.741 372 HA PHE 45 HA PHE 45 -0.824 -5.787 -10.291 373 1HB PHE 45 1HB PHE 45 -1.813 -7.153 -8.448 374 2HB PHE 45 2HB PHE 45 -3.258 -7.364 -9.432 375 HD1 PHE 45 HD1 PHE 45 0.337 -7.471 -10.402 376 HD2 PHE 45 HD2 PHE 45 -3.328 -9.610 -9.979 377 HE1 PHE 45 HE1 PHE 45 1.363 -9.435 -11.482 378 HE2 PHE 45 HE2 PHE 45 -2.309 -11.578 -11.058 379 HZ PHE 45 HZ PHE 45 0.040 -11.491 -11.811 380 H ALA 46 H ALA 46 -0.742 -5.785 -12.431 381 HA ALA 46 HA ALA 46 -1.339 -5.837 -14.626 382 1HB ALA 46 1HB ALA 46 -2.878 -7.384 -15.266 383 2HB ALA 46 2HB ALA 46 -4.059 -6.873 -14.060 384 3HB ALA 46 3HB ALA 46 -2.687 -7.873 -13.582 385 H GLY 47 H GLY 47 -2.428 -3.749 -12.535 386 1HA GLY 47 1HA GLY 47 -3.078 -1.554 -13.309 387 2HA GLY 47 2HA GLY 47 -4.072 -2.333 -14.530 388 H LYS 48 H LYS 48 -4.867 -4.288 -12.279 389 HA LYS 48 HA LYS 48 -7.120 -2.675 -11.367 390 1HB LYS 48 1HB LYS 48 -6.768 -5.615 -10.855 391 2HB LYS 48 2HB LYS 48 -8.259 -4.690 -10.952 392 1HG LYS 48 1HG LYS 48 -8.457 -5.149 -13.106 393 2HG LYS 48 2HG LYS 48 -6.852 -4.493 -13.435 394 1HD LYS 48 1HD LYS 48 -6.442 -6.627 -14.074 395 2HD LYS 48 2HD LYS 48 -6.153 -6.842 -12.346 396 1HE LYS 48 1HE LYS 48 -8.744 -7.301 -12.311 397 2HE LYS 48 2HE LYS 48 -8.475 -7.689 -14.011 398 1HZ LYS 48 1HZ LYS 48 -7.020 -9.416 -13.449 399 2HZ LYS 48 2HZ LYS 48 -8.303 -9.580 -12.360 400 3HZ LYS 48 3HZ LYS 48 -6.846 -8.888 -11.850 401 H GLN 49 H GLN 49 -7.535 -2.186 -9.270 402 HA GLN 49 HA GLN 49 -5.358 -2.583 -7.384 403 1HB GLN 49 1HB GLN 49 -6.429 -0.350 -7.703 404 2HB GLN 49 2HB GLN 49 -7.915 -1.011 -7.034 405 1HG GLN 49 1HG GLN 49 -6.578 -1.574 -4.966 406 2HG GLN 49 2HG GLN 49 -5.286 -0.587 -5.648 407 1HE2 GLN 49 1HE2 GLN 49 -8.038 -0.595 -3.755 408 2HE2 GLN 49 2HE2 GLN 49 -8.319 1.109 -3.687 409 H LEU 50 H LEU 50 -5.370 -4.031 -5.791 410 HA LEU 50 HA LEU 50 -7.482 -5.917 -5.540 411 1HB LEU 50 1HB LEU 50 -5.222 -5.477 -3.595 412 2HB LEU 50 2HB LEU 50 -6.153 -6.944 -3.833 413 HG LEU 50 HG LEU 50 -4.518 -5.830 -6.082 414 1HD1 LEU 50 1HD1 LEU 50 -2.553 -6.418 -5.208 415 2HD1 LEU 50 2HD1 LEU 50 -3.201 -7.919 -4.548 416 3HD1 LEU 50 3HD1 LEU 50 -3.375 -6.413 -3.648 417 1HD2 LEU 50 1HD2 LEU 50 -5.527 -8.554 -5.295 418 2HD2 LEU 50 2HD2 LEU 50 -4.370 -8.283 -6.600 419 3HD2 LEU 50 3HD2 LEU 50 -5.989 -7.590 -6.698 420 H GLU 51 H GLU 51 -9.063 -6.125 -4.025 421 HA GLU 51 HA GLU 51 -9.548 -3.782 -2.341 422 1HB GLU 51 1HB GLU 51 -11.287 -5.951 -3.458 423 2HB GLU 51 2HB GLU 51 -11.822 -5.048 -2.048 424 1HG GLU 51 1HG GLU 51 -12.618 -4.227 -4.303 425 2HG GLU 51 2HG GLU 51 -11.900 -3.028 -3.228 426 H ASP 52 H ASP 52 -9.412 -3.839 -0.184 427 HA ASP 52 HA ASP 52 -8.212 -5.986 1.159 428 1HB ASP 52 1HB ASP 52 -9.041 -3.332 1.785 429 2HB ASP 52 2HB ASP 52 -9.659 -4.406 3.037 430 H GLY 53 H GLY 53 -9.177 -7.931 1.227 431 1HA GLY 53 1HA GLY 53 -10.835 -8.978 2.882 432 2HA GLY 53 2HA GLY 53 -12.022 -8.042 1.987 433 H ARG 54 H ARG 54 -9.970 -8.767 -0.350 434 HA ARG 54 HA ARG 54 -11.460 -11.177 -1.101 435 1HB ARG 54 1HB ARG 54 -9.765 -9.330 -2.792 436 2HB ARG 54 2HB ARG 54 -10.694 -10.697 -3.389 437 1HG ARG 54 1HG ARG 54 -11.758 -8.165 -2.166 438 2HG ARG 54 2HG ARG 54 -11.917 -8.701 -3.840 439 1HD ARG 54 1HD ARG 54 -12.935 -10.799 -2.321 440 2HD ARG 54 2HD ARG 54 -13.539 -9.341 -1.534 441 HE ARG 54 HE ARG 54 -14.338 -10.382 -4.074 442 1HH1 ARG 54 1HH1 ARG 54 -15.164 -6.587 -3.103 443 2HH1 ARG 54 2HH1 ARG 54 -13.965 -7.463 -2.213 444 1HH2 ARG 54 1HH2 ARG 54 -15.920 -9.238 -5.254 445 2HH2 ARG 54 2HH2 ARG 54 -16.276 -7.597 -4.833 446 H THR 55 H THR 55 -10.389 -12.997 -2.000 447 HA THR 55 HA THR 55 -7.772 -13.455 -0.812 448 HB THR 55 HB THR 55 -8.155 -15.776 -1.193 449 HG1 THR 55 HG1 THR 55 -9.353 -16.500 -2.760 450 1HG2 THR 55 1HG2 THR 55 -10.881 -15.687 -0.671 451 2HG2 THR 55 2HG2 THR 55 -10.228 -14.211 0.038 452 3HG2 THR 55 3HG2 THR 55 -9.570 -15.780 0.505 453 H LEU 56 H LEU 56 -5.938 -14.062 -1.947 454 HA LEU 56 HA LEU 56 -5.375 -12.810 -4.330 455 1HB LEU 56 1HB LEU 56 -4.085 -15.398 -3.488 456 2HB LEU 56 2HB LEU 56 -3.374 -14.104 -4.433 457 HG LEU 56 HG LEU 56 -3.870 -14.226 -1.483 458 1HD1 LEU 56 1HD1 LEU 56 -1.679 -14.566 -1.523 459 2HD1 LEU 56 2HD1 LEU 56 -1.485 -12.922 -2.131 460 3HD1 LEU 56 3HD1 LEU 56 -1.612 -14.272 -3.260 461 1HD2 LEU 56 1HD2 LEU 56 -4.177 -11.890 -3.199 462 2HD2 LEU 56 2HD2 LEU 56 -2.977 -11.672 -1.925 463 3HD2 LEU 56 3HD2 LEU 56 -4.630 -12.125 -1.512 464 H SER 57 H SER 57 -6.717 -16.012 -3.802 465 HA SER 57 HA SER 57 -6.491 -16.874 -6.511 466 1HB SER 57 1HB SER 57 -6.664 -18.593 -4.888 467 2HB SER 57 2HB SER 57 -8.088 -17.859 -4.149 468 HG SER 57 HG SER 57 -7.907 -19.557 -6.276 469 H ASP 58 H ASP 58 -8.515 -14.662 -4.975 470 HA ASP 58 HA ASP 58 -10.809 -15.090 -6.690 471 1HB ASP 58 1HB ASP 58 -10.171 -13.022 -4.585 472 2HB ASP 58 2HB ASP 58 -11.646 -12.986 -5.546 473 H TYR 59 H TYR 59 -7.844 -13.646 -7.068 474 HA TYR 59 HA TYR 59 -8.896 -11.704 -9.016 475 1HB TYR 59 1HB TYR 59 -6.515 -11.659 -7.215 476 2HB TYR 59 2HB TYR 59 -6.408 -10.831 -8.764 477 HD1 TYR 59 HD1 TYR 59 -7.445 -10.568 -5.379 478 HD2 TYR 59 HD2 TYR 59 -8.306 -9.136 -9.302 479 HE1 TYR 59 HE1 TYR 59 -8.599 -8.620 -4.408 480 HE2 TYR 59 HE2 TYR 59 -9.462 -7.184 -8.340 481 HH TYR 59 HH TYR 59 -9.340 -5.887 -6.102 482 H ASN 60 H ASN 60 -5.672 -13.137 -8.657 483 HA ASN 60 HA ASN 60 -5.634 -15.080 -10.538 484 1HB ASN 60 1HB ASN 60 -4.781 -13.798 -12.592 485 2HB ASN 60 2HB ASN 60 -6.511 -13.749 -12.273 486 1HD2 ASN 60 1HD2 ASN 60 -5.340 -11.878 -13.871 487 2HD2 ASN 60 2HD2 ASN 60 -5.349 -10.342 -13.081 488 H LEU 61 H LEU 61 -4.212 -14.333 -8.261 489 HA LEU 61 HA LEU 61 -1.576 -13.453 -9.062 490 1HB LEU 61 1HB LEU 61 -2.797 -14.297 -6.452 491 2HB LEU 61 2HB LEU 61 -1.070 -14.044 -6.610 492 HG LEU 61 HG LEU 61 -2.637 -12.124 -5.747 493 1HD1 LEU 61 1HD1 LEU 61 -0.542 -11.529 -7.827 494 2HD1 LEU 61 2HD1 LEU 61 -0.181 -12.032 -6.176 495 3HD1 LEU 61 3HD1 LEU 61 -1.029 -10.513 -6.469 496 1HD2 LEU 61 1HD2 LEU 61 -3.179 -10.596 -7.689 497 2HD2 LEU 61 2HD2 LEU 61 -4.216 -12.010 -7.497 498 3HD2 LEU 61 3HD2 LEU 61 -2.958 -12.000 -8.733 499 H GLN 62 H GLN 62 -0.083 -14.756 -9.865 500 HA GLN 62 HA GLN 62 -0.334 -17.646 -9.444 501 1HB GLN 62 1HB GLN 62 1.329 -16.092 -11.436 502 2HB GLN 62 2HB GLN 62 1.247 -17.846 -11.335 503 1HG GLN 62 1HG GLN 62 -0.983 -17.894 -12.062 504 2HG GLN 62 2HG GLN 62 -1.195 -16.165 -11.785 505 1HE2 GLN 62 1HE2 GLN 62 0.285 -14.756 -13.107 506 2HE2 GLN 62 2HE2 GLN 62 0.522 -15.206 -14.758 507 H LYS 63 H LYS 63 1.970 -18.747 -9.531 508 HA LYS 63 HA LYS 63 3.257 -18.101 -7.113 509 1HB LYS 63 1HB LYS 63 3.326 -20.210 -8.975 510 2HB LYS 63 2HB LYS 63 4.978 -19.617 -8.859 511 1HG LYS 63 1HG LYS 63 4.840 -19.859 -6.396 512 2HG LYS 63 2HG LYS 63 3.242 -20.582 -6.595 513 1HD LYS 63 1HD LYS 63 4.213 -22.559 -6.887 514 2HD LYS 63 2HD LYS 63 4.960 -21.941 -8.362 515 1HE LYS 63 1HE LYS 63 6.841 -21.086 -7.023 516 2HE LYS 63 2HE LYS 63 6.101 -21.766 -5.574 517 1HZ LYS 63 1HZ LYS 63 7.901 -23.118 -6.724 518 2HZ LYS 63 2HZ LYS 63 6.746 -23.452 -7.914 519 3HZ LYS 63 3HZ LYS 63 6.473 -23.930 -6.315 520 H GLU 64 H GLU 64 4.573 -16.463 -6.709 521 HA GLU 64 HA GLU 64 6.156 -14.847 -6.936 522 1HB GLU 64 1HB GLU 64 7.149 -16.501 -9.262 523 2HB GLU 64 2HB GLU 64 8.060 -15.286 -8.376 524 1HG GLU 64 1HG GLU 64 8.096 -16.640 -6.413 525 2HG GLU 64 2HG GLU 64 6.977 -17.798 -7.129 526 H SER 65 H SER 65 4.340 -13.480 -7.594 527 HA SER 65 HA SER 65 4.414 -12.756 -10.445 528 1HB SER 65 1HB SER 65 2.275 -11.949 -8.474 529 2HB SER 65 2HB SER 65 2.198 -11.921 -10.235 530 HG SER 65 HG SER 65 1.867 -14.039 -10.277 531 H THR 66 H THR 66 3.515 -10.267 -10.526 532 HA THR 66 HA THR 66 5.249 -8.704 -8.733 533 HB THR 66 HB THR 66 4.961 -8.441 -11.727 534 HG1 THR 66 HG1 THR 66 7.361 -8.562 -10.275 535 1HG2 THR 66 1HG2 THR 66 6.840 -6.630 -11.142 536 2HG2 THR 66 2HG2 THR 66 5.789 -6.434 -9.740 537 3HG2 THR 66 3HG2 THR 66 5.137 -6.230 -11.367 538 H ILE 67 H ILE 67 4.340 -6.942 -7.850 539 HA ILE 67 HA ILE 67 1.861 -5.888 -9.016 540 HB ILE 67 HB ILE 67 2.243 -6.727 -6.145 541 1HG1 ILE 67 1HG1 ILE 67 -0.148 -7.681 -6.818 542 2HG1 ILE 67 2HG1 ILE 67 0.540 -7.588 -8.437 543 1HG2 ILE 67 1HG2 ILE 67 -0.269 -5.734 -6.201 544 2HG2 ILE 67 2HG2 ILE 67 0.550 -4.611 -7.286 545 3HG2 ILE 67 3HG2 ILE 67 1.138 -4.832 -5.639 546 1HD1 ILE 67 1HD1 ILE 67 2.547 -8.830 -7.187 547 2HD1 ILE 67 2HD1 ILE 67 1.196 -9.680 -7.937 548 3HD1 ILE 67 3HD1 ILE 67 1.195 -9.385 -6.199 549 H HIS 68 H HIS 68 1.619 -3.709 -8.876 550 HA HIS 68 HA HIS 68 3.922 -2.206 -7.927 551 1HB HIS 68 1HB HIS 68 1.471 -1.262 -9.428 552 2HB HIS 68 2HB HIS 68 2.920 -0.312 -9.116 553 HD1 HIS 68 HD1 HIS 68 3.051 -0.081 -11.766 554 HD2 HIS 68 HD2 HIS 68 3.663 -3.902 -10.254 555 HE1 HIS 68 HE1 HIS 68 4.110 -1.384 -13.639 556 HE2 HIS 68 HE2 HIS 68 4.535 -3.673 -12.678 557 H LEU 69 H LEU 69 3.943 -1.570 -5.877 558 HA LEU 69 HA LEU 69 1.409 -1.001 -4.521 559 1HB LEU 69 1HB LEU 69 2.830 -2.554 -3.360 560 2HB LEU 69 2HB LEU 69 4.200 -1.465 -3.477 561 HG LEU 69 HG LEU 69 1.708 -0.746 -1.946 562 1HD1 LEU 69 1HD1 LEU 69 4.190 -2.102 -0.904 563 2HD1 LEU 69 2HD1 LEU 69 2.581 -2.815 -1.009 564 3HD1 LEU 69 3HD1 LEU 69 2.875 -1.460 0.080 565 1HD2 LEU 69 1HD2 LEU 69 3.680 0.552 -0.734 566 2HD2 LEU 69 2HD2 LEU 69 2.849 1.209 -2.144 567 3HD2 LEU 69 3HD2 LEU 69 4.410 0.409 -2.333 568 H VAL 70 H VAL 70 0.787 1.048 -4.832 569 HA VAL 70 HA VAL 70 2.806 3.174 -4.541 570 HB VAL 70 HB VAL 70 1.234 4.634 -5.778 571 1HG1 VAL 70 1HG1 VAL 70 2.743 3.948 -7.306 572 2HG1 VAL 70 2HG1 VAL 70 1.370 3.054 -7.959 573 3HG1 VAL 70 3HG1 VAL 70 2.531 2.242 -6.908 574 1HG2 VAL 70 1HG2 VAL 70 -0.855 3.543 -5.258 575 2HG2 VAL 70 2HG2 VAL 70 -0.348 2.089 -6.117 576 3HG2 VAL 70 3HG2 VAL 70 -0.635 3.584 -7.007 577 H LEU 71 H LEU 71 2.435 4.875 -3.159 578 HA LEU 71 HA LEU 71 0.809 4.381 -0.901 579 1HB LEU 71 1HB LEU 71 2.937 6.001 -1.436 580 2HB LEU 71 2HB LEU 71 1.629 7.167 -1.358 581 HG LEU 71 HG LEU 71 1.695 5.225 0.857 582 1HD1 LEU 71 1HD1 LEU 71 3.711 7.424 0.962 583 2HD1 LEU 71 2HD1 LEU 71 4.140 5.869 0.249 584 3HD1 LEU 71 3HD1 LEU 71 3.602 5.951 1.927 585 1HD2 LEU 71 1HD2 LEU 71 1.660 7.753 1.887 586 2HD2 LEU 71 2HD2 LEU 71 0.233 6.812 1.449 587 3HD2 LEU 71 3HD2 LEU 71 0.902 7.984 0.312 588 H ARG 72 H ARG 72 -1.073 5.375 -0.188 589 HA ARG 72 HA ARG 72 -3.089 5.823 -2.023 590 1HB ARG 72 1HB ARG 72 -2.938 5.661 0.710 591 2HB ARG 72 2HB ARG 72 -3.401 7.340 0.472 592 1HG ARG 72 1HG ARG 72 -5.062 5.939 -1.242 593 2HG ARG 72 2HG ARG 72 -4.973 4.928 0.202 594 1HD ARG 72 1HD ARG 72 -6.104 7.645 -0.157 595 2HD ARG 72 2HD ARG 72 -6.683 6.298 0.822 596 HE ARG 72 HE ARG 72 -4.811 8.357 1.615 597 1HH1 ARG 72 1HH1 ARG 72 -5.703 5.244 3.968 598 2HH1 ARG 72 2HH1 ARG 72 -6.146 5.213 2.294 599 1HH2 ARG 72 1HH2 ARG 72 -4.224 8.408 3.816 600 2HH2 ARG 72 2HH2 ARG 72 -4.611 7.061 4.835 601 H LEU 73 H LEU 73 -3.396 7.391 -3.448 602 HA LEU 73 HA LEU 73 -2.041 9.949 -3.096 603 1HB LEU 73 1HB LEU 73 -2.759 8.327 -5.322 604 2HB LEU 73 2HB LEU 73 -3.580 9.866 -5.492 605 HG LEU 73 HG LEU 73 -1.362 9.752 -6.630 606 1HD1 LEU 73 1HD1 LEU 73 -0.503 11.909 -5.555 607 2HD1 LEU 73 2HD1 LEU 73 -1.893 11.772 -4.478 608 3HD1 LEU 73 3HD1 LEU 73 -2.136 11.917 -6.219 609 1HD2 LEU 73 1HD2 LEU 73 0.138 10.160 -4.162 610 2HD2 LEU 73 2HD2 LEU 73 0.530 9.193 -5.584 611 3HD2 LEU 73 3HD2 LEU 73 -0.519 8.532 -4.330 612 H ARG 74 H ARG 74 -3.047 11.874 -2.805 613 HA ARG 74 HA ARG 74 -5.330 12.193 -1.435 614 1HB ARG 74 1HB ARG 74 -4.625 14.114 -3.648 615 2HB ARG 74 2HB ARG 74 -5.393 14.474 -2.107 616 1HG ARG 74 1HG ARG 74 -3.349 15.104 -1.471 617 2HG ARG 74 2HG ARG 74 -3.039 13.376 -1.299 618 1HD ARG 74 1HD ARG 74 -1.338 13.731 -2.711 619 2HD ARG 74 2HD ARG 74 -2.580 13.778 -3.962 620 HE ARG 74 HE ARG 74 -2.095 16.318 -2.702 621 1HH1 ARG 74 1HH1 ARG 74 -0.440 15.387 -6.227 622 2HH1 ARG 74 2HH1 ARG 74 -1.128 14.139 -5.241 623 1HH2 ARG 74 1HH2 ARG 74 -1.192 17.968 -3.992 624 2HH2 ARG 74 2HH2 ARG 74 -0.477 17.564 -5.516 625 H GLY 75 H GLY 75 -7.518 12.678 -1.865 626 1HA GLY 75 1HA GLY 75 -9.173 13.064 -3.725 627 2HA GLY 75 2HA GLY 75 -8.450 11.647 -4.471 628 H GLY 76 H GLY 76 -8.490 9.632 -3.064 629 1HA GLY 76 1HA GLY 76 -10.034 9.110 -0.910 630 2HA GLY 76 2HA GLY 76 -11.222 9.247 -2.197 Start of MODEL 2 1 1H MET 1 1H MET 1 2.823 -21.483 -2.169 2 2H MET 1 2H MET 1 3.801 -20.395 -1.272 3 3H MET 1 3H MET 1 4.515 -21.433 -2.436 4 HA MET 1 HA MET 1 3.986 -20.158 -4.124 5 1HB MET 1 1HB MET 1 1.653 -20.597 -4.051 6 2HB MET 1 2HB MET 1 1.448 -19.663 -2.576 7 1HG MET 1 1HG MET 1 2.465 -17.831 -4.367 8 2HG MET 1 2HG MET 1 1.371 -18.810 -5.341 9 1HE MET 1 1HE MET 1 -1.873 -18.080 -4.707 10 2HE MET 1 2HE MET 1 -0.518 -18.277 -5.819 11 3HE MET 1 3HE MET 1 -1.100 -16.661 -5.414 12 H GLN 2 H GLN 2 5.348 -18.509 -4.291 13 HA GLN 2 HA GLN 2 5.253 -16.386 -2.251 14 1HB GLN 2 1HB GLN 2 7.592 -17.071 -4.034 15 2HB GLN 2 2HB GLN 2 7.587 -15.982 -2.653 16 1HG GLN 2 1HG GLN 2 7.341 -17.776 -1.125 17 2HG GLN 2 2HG GLN 2 7.013 -18.921 -2.426 18 1HE2 GLN 2 1HE2 GLN 2 9.486 -16.815 -1.069 19 2HE2 GLN 2 2HE2 GLN 2 10.836 -17.745 -1.612 20 H LEU 3 H LEU 3 5.469 -14.213 -2.919 21 HA LEU 3 HA LEU 3 5.073 -13.728 -5.792 22 1HB LEU 3 1HB LEU 3 3.573 -12.325 -3.581 23 2HB LEU 3 2HB LEU 3 3.389 -12.051 -5.303 24 HG LEU 3 HG LEU 3 2.821 -14.735 -4.077 25 1HD1 LEU 3 1HD1 LEU 3 1.267 -13.586 -2.871 26 2HD1 LEU 3 2HD1 LEU 3 0.366 -13.799 -4.372 27 3HD1 LEU 3 3HD1 LEU 3 1.172 -12.267 -4.039 28 1HD2 LEU 3 1HD2 LEU 3 1.132 -14.216 -6.214 29 2HD2 LEU 3 2HD2 LEU 3 2.568 -15.241 -6.228 30 3HD2 LEU 3 3HD2 LEU 3 2.688 -13.549 -6.712 31 H PHE 4 H PHE 4 5.445 -11.419 -6.387 32 HA PHE 4 HA PHE 4 7.653 -10.318 -4.781 33 1HB PHE 4 1HB PHE 4 7.166 -9.781 -7.709 34 2HB PHE 4 2HB PHE 4 8.629 -9.472 -6.781 35 HD1 PHE 4 HD1 PHE 4 8.302 -11.045 -9.413 36 HD2 PHE 4 HD2 PHE 4 8.488 -12.222 -5.319 37 HE1 PHE 4 HE1 PHE 4 9.189 -13.243 -10.089 38 HE2 PHE 4 HE2 PHE 4 9.375 -14.423 -5.987 39 HZ PHE 4 HZ PHE 4 9.726 -14.935 -8.375 40 H VAL 5 H VAL 5 7.636 -8.196 -4.187 41 HA VAL 5 HA VAL 5 5.399 -6.530 -5.110 42 HB VAL 5 HB VAL 5 6.242 -6.351 -2.251 43 1HG1 VAL 5 1HG1 VAL 5 3.432 -6.137 -2.781 44 2HG1 VAL 5 2HG1 VAL 5 4.336 -5.108 -3.893 45 3HG1 VAL 5 3HG1 VAL 5 4.545 -4.923 -2.151 46 1HG2 VAL 5 1HG2 VAL 5 4.577 -8.517 -3.465 47 2HG2 VAL 5 2HG2 VAL 5 4.223 -7.936 -1.837 48 3HG2 VAL 5 3HG2 VAL 5 5.806 -8.622 -2.205 49 H LYS 6 H LYS 6 6.163 -4.720 -5.958 50 HA LYS 6 HA LYS 6 8.687 -3.625 -4.905 51 1HB LYS 6 1HB LYS 6 9.176 -2.758 -7.083 52 2HB LYS 6 2HB LYS 6 8.752 -4.455 -7.268 53 1HG LYS 6 1HG LYS 6 6.588 -3.898 -8.104 54 2HG LYS 6 2HG LYS 6 6.822 -2.192 -7.716 55 1HD LYS 6 1HD LYS 6 8.488 -3.743 -9.694 56 2HD LYS 6 2HD LYS 6 7.124 -2.709 -10.125 57 1HE LYS 6 1HE LYS 6 9.112 -1.425 -8.399 58 2HE LYS 6 2HE LYS 6 9.729 -1.902 -9.980 59 1HZ LYS 6 1HZ LYS 6 8.895 0.107 -10.532 60 2HZ LYS 6 2HZ LYS 6 7.743 0.113 -9.293 61 3HZ LYS 6 3HZ LYS 6 7.458 -0.769 -10.707 62 H THR 7 H THR 7 8.843 -1.422 -4.529 63 HA THR 7 HA THR 7 6.274 -0.058 -4.226 64 HB THR 7 HB THR 7 7.489 1.495 -2.768 65 HG1 THR 7 HG1 THR 7 9.631 1.388 -2.508 66 1HG2 THR 7 1HG2 THR 7 8.316 -0.107 -1.033 67 2HG2 THR 7 2HG2 THR 7 7.981 -1.407 -2.177 68 3HG2 THR 7 3HG2 THR 7 6.667 -0.385 -1.594 69 H LEU 8 H LEU 8 6.602 2.481 -4.432 70 HA LEU 8 HA LEU 8 7.001 2.974 -7.200 71 1HB LEU 8 1HB LEU 8 5.778 4.286 -5.042 72 2HB LEU 8 2HB LEU 8 7.019 5.383 -5.614 73 HG LEU 8 HG LEU 8 4.703 4.259 -7.184 74 1HD1 LEU 8 1HD1 LEU 8 5.100 6.627 -5.669 75 2HD1 LEU 8 2HD1 LEU 8 3.697 6.152 -6.626 76 3HD1 LEU 8 3HD1 LEU 8 5.004 7.069 -7.373 77 1HD2 LEU 8 1HD2 LEU 8 7.253 5.483 -8.091 78 2HD2 LEU 8 2HD2 LEU 8 5.767 5.930 -8.928 79 3HD2 LEU 8 3HD2 LEU 8 6.261 4.238 -8.849 80 H THR 9 H THR 9 9.135 2.834 -4.587 81 HA THR 9 HA THR 9 11.058 4.701 -5.721 82 HB THR 9 HB THR 9 12.434 3.646 -3.708 83 HG1 THR 9 HG1 THR 9 11.298 2.433 -2.452 84 1HG2 THR 9 1HG2 THR 9 12.135 5.739 -3.057 85 2HG2 THR 9 2HG2 THR 9 10.662 5.194 -2.256 86 3HG2 THR 9 3HG2 THR 9 10.585 5.853 -3.889 87 H GLY 10 H GLY 10 10.297 1.378 -5.862 88 1HA GLY 10 1HA GLY 10 11.393 0.165 -7.706 89 2HA GLY 10 2HA GLY 10 12.911 0.835 -7.127 90 H LYS 11 H LYS 11 12.548 0.434 -4.374 91 HA LYS 11 HA LYS 11 13.676 -1.930 -3.824 92 1HB LYS 11 1HB LYS 11 12.822 -0.019 -2.243 93 2HB LYS 11 2HB LYS 11 11.437 -1.080 -2.024 94 1HG LYS 11 1HG LYS 11 12.766 -2.787 -1.084 95 2HG LYS 11 2HG LYS 11 14.262 -2.002 -1.594 96 1HD LYS 11 1HD LYS 11 14.339 -1.108 0.449 97 2HD LYS 11 2HD LYS 11 13.003 -0.076 -0.063 98 1HE LYS 11 1HE LYS 11 12.292 -2.784 0.879 99 2HE LYS 11 2HE LYS 11 12.903 -1.667 2.098 100 1HZ LYS 11 1HZ LYS 11 10.549 -1.460 2.008 101 2HZ LYS 11 2HZ LYS 11 10.555 -1.275 0.327 102 3HZ LYS 11 3HZ LYS 11 11.199 -0.061 1.313 103 H THR 12 H THR 12 13.189 -4.047 -3.821 104 HA THR 12 HA THR 12 10.373 -4.827 -4.160 105 HB THR 12 HB THR 12 12.702 -6.092 -5.613 106 HG1 THR 12 HG1 THR 12 12.474 -4.426 -6.863 107 1HG2 THR 12 1HG2 THR 12 11.192 -7.393 -6.793 108 2HG2 THR 12 2HG2 THR 12 9.812 -6.406 -6.310 109 3HG2 THR 12 3HG2 THR 12 10.592 -7.466 -5.137 110 H LEU 13 H LEU 13 9.739 -6.722 -3.174 111 HA LEU 13 HA LEU 13 11.762 -8.210 -1.658 112 1HB LEU 13 1HB LEU 13 10.605 -8.076 0.372 113 2HB LEU 13 2HB LEU 13 10.591 -6.438 -0.254 114 HG LEU 13 HG LEU 13 8.236 -7.568 -1.229 115 1HD1 LEU 13 1HD1 LEU 13 7.162 -8.687 0.501 116 2HD1 LEU 13 2HD1 LEU 13 8.346 -8.172 1.701 117 3HD1 LEU 13 3HD1 LEU 13 8.779 -9.392 0.504 118 1HD2 LEU 13 1HD2 LEU 13 7.156 -6.013 0.303 119 2HD2 LEU 13 2HD2 LEU 13 8.560 -5.270 -0.463 120 3HD2 LEU 13 3HD2 LEU 13 8.663 -5.839 1.204 121 H THR 14 H THR 14 10.898 -10.289 -0.802 122 HA THR 14 HA THR 14 8.782 -11.361 -2.550 123 HB THR 14 HB THR 14 11.136 -12.962 -1.561 124 HG1 THR 14 HG1 THR 14 10.898 -11.834 -4.141 125 1HG2 THR 14 1HG2 THR 14 10.137 -14.674 -2.525 126 2HG2 THR 14 2HG2 THR 14 10.162 -13.820 -4.068 127 3HG2 THR 14 3HG2 THR 14 8.783 -13.642 -2.984 128 H VAL 15 H VAL 15 7.134 -12.317 -1.546 129 HA VAL 15 HA VAL 15 7.495 -13.110 1.272 130 HB VAL 15 HB VAL 15 4.915 -12.639 1.340 131 1HG1 VAL 15 1HG1 VAL 15 6.867 -10.342 1.349 132 2HG1 VAL 15 2HG1 VAL 15 6.698 -11.512 2.658 133 3HG1 VAL 15 3HG1 VAL 15 5.349 -10.456 2.239 134 1HG2 VAL 15 1HG2 VAL 15 4.002 -11.288 -0.226 135 2HG2 VAL 15 2HG2 VAL 15 5.266 -11.980 -1.242 136 3HG2 VAL 15 3HG2 VAL 15 5.503 -10.401 -0.492 137 H GLU 16 H GLU 16 5.907 -14.744 2.021 138 HA GLU 16 HA GLU 16 5.158 -16.590 -0.149 139 1HB GLU 16 1HB GLU 16 5.634 -18.445 1.469 140 2HB GLU 16 2HB GLU 16 7.054 -17.547 0.949 141 1HG GLU 16 1HG GLU 16 7.529 -16.890 3.020 142 2HG GLU 16 2HG GLU 16 5.854 -16.460 3.362 143 H LEU 17 H LEU 17 3.026 -16.703 -0.280 144 HA LEU 17 HA LEU 17 1.471 -17.074 2.167 145 1HB LEU 17 1HB LEU 17 1.117 -14.876 0.171 146 2HB LEU 17 2HB LEU 17 -0.289 -15.528 0.991 147 HG LEU 17 HG LEU 17 2.065 -14.598 2.594 148 1HD1 LEU 17 1HD1 LEU 17 1.741 -12.692 1.265 149 2HD1 LEU 17 2HD1 LEU 17 0.825 -12.382 2.740 150 3HD1 LEU 17 3HD1 LEU 17 -0.012 -12.881 1.271 151 1HD2 LEU 17 1HD2 LEU 17 0.191 -15.848 3.636 152 2HD2 LEU 17 2HD2 LEU 17 -0.896 -14.549 3.146 153 3HD2 LEU 17 3HD2 LEU 17 0.409 -14.224 4.287 154 H GLU 18 H GLU 18 -0.926 -17.537 1.480 155 HA GLU 18 HA GLU 18 -0.791 -19.510 -0.699 156 1HB GLU 18 1HB GLU 18 -2.871 -19.434 1.479 157 2HB GLU 18 2HB GLU 18 -2.444 -20.778 0.430 158 1HG GLU 18 1HG GLU 18 -0.282 -19.738 2.137 159 2HG GLU 18 2HG GLU 18 -1.615 -20.540 2.967 160 HA PRO 19 HA PRO 19 -3.776 -17.405 -3.146 161 1HB PRO 19 1HB PRO 19 -5.374 -19.450 -3.999 162 2HB PRO 19 2HB PRO 19 -3.763 -19.134 -4.647 163 1HG PRO 19 1HG PRO 19 -4.617 -21.123 -2.577 164 2HG PRO 19 2HG PRO 19 -3.484 -21.327 -3.926 165 1HD PRO 19 1HD PRO 19 -2.635 -20.929 -1.405 166 2HD PRO 19 2HD PRO 19 -1.760 -20.272 -2.802 167 H SER 20 H SER 20 -4.738 -19.212 -0.401 168 HA SER 20 HA SER 20 -7.521 -18.410 -0.524 169 1HB SER 20 1HB SER 20 -7.697 -19.583 1.659 170 2HB SER 20 2HB SER 20 -6.996 -20.601 0.401 171 HG SER 20 HG SER 20 -5.423 -19.106 2.218 172 H ASP 21 H ASP 21 -4.562 -17.295 0.865 173 HA ASP 21 HA ASP 21 -5.372 -15.841 3.054 174 1HB ASP 21 1HB ASP 21 -3.196 -15.504 1.041 175 2HB ASP 21 2HB ASP 21 -3.509 -14.174 2.152 176 H THR 22 H THR 22 -5.551 -13.425 3.220 177 HA THR 22 HA THR 22 -7.241 -12.386 1.039 178 HB THR 22 HB THR 22 -8.214 -10.951 2.989 179 HG1 THR 22 HG1 THR 22 -6.736 -11.643 4.566 180 1HG2 THR 22 1HG2 THR 22 -8.820 -13.832 2.486 181 2HG2 THR 22 2HG2 THR 22 -9.736 -12.399 2.021 182 3HG2 THR 22 3HG2 THR 22 -9.703 -12.915 3.707 183 H VAL 23 H VAL 23 -7.277 -10.014 0.850 184 HA VAL 23 HA VAL 23 -4.780 -8.911 0.477 185 HB VAL 23 HB VAL 23 -7.131 -7.182 1.201 186 1HG1 VAL 23 1HG1 VAL 23 -5.724 -5.604 0.512 187 2HG1 VAL 23 2HG1 VAL 23 -5.846 -6.286 -1.110 188 3HG1 VAL 23 3HG1 VAL 23 -4.553 -6.806 -0.029 189 1HG2 VAL 23 1HG2 VAL 23 -8.359 -8.276 -0.313 190 2HG2 VAL 23 2HG2 VAL 23 -6.965 -9.160 -0.935 191 3HG2 VAL 23 3HG2 VAL 23 -7.309 -7.532 -1.519 192 H GLU 24 H GLU 24 -6.864 -8.745 3.323 193 HA GLU 24 HA GLU 24 -5.471 -6.852 4.811 194 1HB GLU 24 1HB GLU 24 -7.632 -8.551 5.240 195 2HB GLU 24 2HB GLU 24 -6.456 -9.048 6.448 196 1HG GLU 24 1HG GLU 24 -6.578 -6.202 6.397 197 2HG GLU 24 2HG GLU 24 -8.214 -6.849 6.517 198 H ASN 25 H ASN 25 -4.970 -10.339 4.522 199 HA ASN 25 HA ASN 25 -2.935 -10.580 6.445 200 1HB ASN 25 1HB ASN 25 -3.215 -12.255 3.946 201 2HB ASN 25 2HB ASN 25 -2.475 -12.726 5.473 202 1HD2 ASN 25 1HD2 ASN 25 -4.619 -11.363 6.988 203 2HD2 ASN 25 2HD2 ASN 25 -5.981 -12.423 6.904 204 H LEU 26 H LEU 26 -2.632 -10.468 2.886 205 HA LEU 26 HA LEU 26 0.105 -10.328 2.688 206 1HB LEU 26 1HB LEU 26 -1.081 -10.527 0.677 207 2HB LEU 26 2HB LEU 26 -2.084 -9.130 1.023 208 HG LEU 26 HG LEU 26 -0.038 -7.694 0.737 209 1HD1 LEU 26 1HD1 LEU 26 1.179 -10.098 -0.585 210 2HD1 LEU 26 2HD1 LEU 26 1.523 -9.675 1.092 211 3HD1 LEU 26 3HD1 LEU 26 1.931 -8.550 -0.203 212 1HD2 LEU 26 1HD2 LEU 26 -0.872 -9.356 -1.638 213 2HD2 LEU 26 2HD2 LEU 26 -0.103 -7.770 -1.696 214 3HD2 LEU 26 3HD2 LEU 26 -1.723 -7.940 -1.019 215 H LYS 27 H LYS 27 -2.122 -7.553 2.885 216 HA LYS 27 HA LYS 27 -0.213 -5.535 2.961 217 1HB LYS 27 1HB LYS 27 -2.876 -5.577 4.395 218 2HB LYS 27 2HB LYS 27 -1.941 -4.143 3.989 219 1HG LYS 27 1HG LYS 27 -2.415 -5.728 1.639 220 2HG LYS 27 2HG LYS 27 -3.932 -5.366 2.465 221 1HD LYS 27 1HD LYS 27 -2.965 -2.948 2.589 222 2HD LYS 27 2HD LYS 27 -1.932 -3.497 1.267 223 1HE LYS 27 1HE LYS 27 -3.976 -4.188 0.034 224 2HE LYS 27 2HE LYS 27 -4.947 -3.480 1.326 225 1HZ LYS 27 1HZ LYS 27 -3.304 -2.147 -0.708 226 2HZ LYS 27 2HZ LYS 27 -3.507 -1.392 0.791 227 3HZ LYS 27 3HZ LYS 27 -4.857 -1.762 -0.157 228 H ALA 28 H ALA 28 -1.769 -7.225 5.680 229 HA ALA 28 HA ALA 28 -0.679 -5.994 7.834 230 1HB ALA 28 1HB ALA 28 -0.825 -8.105 9.032 231 2HB ALA 28 2HB ALA 28 -0.908 -8.984 7.505 232 3HB ALA 28 3HB ALA 28 -2.219 -7.900 7.971 233 H LYS 29 H LYS 29 0.907 -8.467 5.844 234 HA LYS 29 HA LYS 29 3.313 -8.551 7.326 235 1HB LYS 29 1HB LYS 29 3.136 -9.117 4.377 236 2HB LYS 29 2HB LYS 29 4.185 -9.865 5.573 237 1HG LYS 29 1HG LYS 29 1.634 -10.435 6.478 238 2HG LYS 29 2HG LYS 29 1.519 -10.602 4.724 239 1HD LYS 29 1HD LYS 29 2.593 -12.547 4.800 240 2HD LYS 29 2HD LYS 29 3.952 -11.800 5.641 241 1HE LYS 29 1HE LYS 29 2.132 -11.978 7.644 242 2HE LYS 29 2HE LYS 29 1.725 -13.405 6.692 243 1HZ LYS 29 1HZ LYS 29 4.552 -12.974 7.209 244 2HZ LYS 29 2HZ LYS 29 3.659 -14.410 7.204 245 3HZ LYS 29 3HZ LYS 29 3.611 -13.389 8.552 246 H ILE 30 H ILE 30 2.308 -6.704 4.480 247 HA ILE 30 HA ILE 30 4.778 -5.473 3.948 248 HB ILE 30 HB ILE 30 1.977 -4.497 3.393 249 1HG1 ILE 30 1HG1 ILE 30 3.982 -6.137 1.869 250 2HG1 ILE 30 2HG1 ILE 30 2.280 -6.475 2.169 251 1HG2 ILE 30 1HG2 ILE 30 2.992 -2.975 1.773 252 2HG2 ILE 30 2HG2 ILE 30 4.598 -3.495 2.286 253 3HG2 ILE 30 3HG2 ILE 30 3.548 -2.631 3.411 254 1HD1 ILE 30 1HD1 ILE 30 2.336 -5.908 -0.070 255 2HD1 ILE 30 2HD1 ILE 30 3.508 -4.615 0.181 256 3HD1 ILE 30 3HD1 ILE 30 1.838 -4.406 0.709 257 H GLN 31 H GLN 31 2.499 -4.975 6.452 258 HA GLN 31 HA GLN 31 3.389 -2.268 7.032 259 1HB GLN 31 1HB GLN 31 1.063 -2.662 7.399 260 2HB GLN 31 2HB GLN 31 1.390 -4.106 8.347 261 1HG GLN 31 1HG GLN 31 2.604 -2.532 9.964 262 2HG GLN 31 2HG GLN 31 1.761 -1.238 9.112 263 1HE2 GLN 31 1HE2 GLN 31 0.958 -4.458 10.381 264 2HE2 GLN 31 2HE2 GLN 31 -0.487 -3.963 11.190 265 H ASP 32 H ASP 32 3.979 -5.528 8.071 266 HA ASP 32 HA ASP 32 5.423 -4.672 10.444 267 1HB ASP 32 1HB ASP 32 4.097 -7.043 9.648 268 2HB ASP 32 2HB ASP 32 5.788 -7.440 9.923 269 H LYS 33 H LYS 33 6.046 -5.843 7.215 270 HA LYS 33 HA LYS 33 8.895 -6.125 7.736 271 1HB LYS 33 1HB LYS 33 7.040 -6.913 5.571 272 2HB LYS 33 2HB LYS 33 8.678 -6.515 5.073 273 1HG LYS 33 1HG LYS 33 9.515 -8.404 5.913 274 2HG LYS 33 2HG LYS 33 8.566 -8.276 7.395 275 1HD LYS 33 1HD LYS 33 6.569 -8.994 5.981 276 2HD LYS 33 2HD LYS 33 7.749 -9.440 4.746 277 1HE LYS 33 1HE LYS 33 7.562 -10.523 7.553 278 2HE LYS 33 2HE LYS 33 7.193 -11.383 6.058 279 1HZ LYS 33 1HZ LYS 33 9.865 -10.243 6.292 280 2HZ LYS 33 2HZ LYS 33 9.367 -11.704 5.598 281 3HZ LYS 33 3HZ LYS 33 9.523 -11.576 7.278 282 H GLU 34 H GLU 34 6.816 -4.250 5.524 283 HA GLU 34 HA GLU 34 9.044 -2.492 4.894 284 1HB GLU 34 1HB GLU 34 6.275 -2.860 3.816 285 2HB GLU 34 2HB GLU 34 7.146 -1.369 3.485 286 1HG GLU 34 1HG GLU 34 8.453 -2.336 1.968 287 2HG GLU 34 2HG GLU 34 8.741 -3.748 2.984 288 H GLY 35 H GLY 35 6.645 -2.647 7.228 289 1HA GLY 35 1HA GLY 35 6.044 -1.160 8.879 290 2HA GLY 35 2HA GLY 35 7.309 -0.096 8.287 291 H ILE 36 H ILE 36 4.872 -1.147 6.070 292 HA ILE 36 HA ILE 36 3.715 1.560 6.132 293 HB ILE 36 HB ILE 36 3.592 -0.352 3.808 294 1HG1 ILE 36 1HG1 ILE 36 5.663 1.735 4.490 295 2HG1 ILE 36 2HG1 ILE 36 5.921 0.032 4.123 296 1HG2 ILE 36 1HG2 ILE 36 3.240 1.825 2.574 297 2HG2 ILE 36 2HG2 ILE 36 3.039 2.583 4.155 298 3HG2 ILE 36 3HG2 ILE 36 1.928 1.315 3.636 299 1HD1 ILE 36 1HD1 ILE 36 5.030 0.552 1.808 300 2HD1 ILE 36 2HD1 ILE 36 6.618 1.199 2.221 301 3HD1 ILE 36 3HD1 ILE 36 5.203 2.252 2.243 302 HA PRO 37 HA PRO 37 0.056 -0.509 7.695 303 1HB PRO 37 1HB PRO 37 -1.151 2.143 7.186 304 2HB PRO 37 2HB PRO 37 -1.077 1.211 8.684 305 1HG PRO 37 1HG PRO 37 0.428 3.394 8.338 306 2HG PRO 37 2HG PRO 37 1.044 1.979 9.212 307 1HD PRO 37 1HD PRO 37 1.600 2.862 6.405 308 2HD PRO 37 2HD PRO 37 2.711 2.187 7.616 309 HA PRO 38 HA PRO 38 -2.139 -1.502 3.994 310 1HB PRO 38 1HB PRO 38 -4.556 -2.201 5.038 311 2HB PRO 38 2HB PRO 38 -3.122 -3.227 5.142 312 1HG PRO 38 1HG PRO 38 -4.288 -1.384 7.192 313 2HG PRO 38 2HG PRO 38 -3.633 -3.019 7.401 314 1HD PRO 38 1HD PRO 38 -2.218 -0.802 8.030 315 2HD PRO 38 2HD PRO 38 -1.447 -2.277 7.410 316 H ASP 39 H ASP 39 -3.543 0.780 6.267 317 HA ASP 39 HA ASP 39 -5.657 1.710 4.663 318 1HB ASP 39 1HB ASP 39 -4.178 2.739 7.033 319 2HB ASP 39 2HB ASP 39 -5.151 3.888 6.120 320 H GLN 40 H GLN 40 -2.291 2.106 4.381 321 HA GLN 40 HA GLN 40 -2.690 4.260 2.409 322 1HB GLN 40 1HB GLN 40 -0.093 3.857 3.862 323 2HB GLN 40 2HB GLN 40 -0.675 5.288 3.022 324 1HG GLN 40 1HG GLN 40 -2.446 5.465 4.810 325 2HG GLN 40 2HG GLN 40 -1.554 4.225 5.689 326 1HE2 GLN 40 1HE2 GLN 40 1.016 5.245 4.670 327 2HE2 GLN 40 2HE2 GLN 40 1.348 6.667 5.593 328 H GLN 41 H GLN 41 -2.599 1.245 2.243 329 HA GLN 41 HA GLN 41 -0.247 0.897 0.527 330 1HB GLN 41 1HB GLN 41 -1.992 -0.936 2.083 331 2HB GLN 41 2HB GLN 41 -1.312 -1.560 0.585 332 1HG GLN 41 1HG GLN 41 0.940 -0.947 1.405 333 2HG GLN 41 2HG GLN 41 0.211 -0.458 2.935 334 1HE2 GLN 41 1HE2 GLN 41 0.233 -1.923 4.470 335 2HE2 GLN 41 2HE2 GLN 41 0.304 -3.634 4.248 336 H ARG 42 H ARG 42 -0.455 1.024 -1.603 337 HA ARG 42 HA ARG 42 -3.120 0.584 -2.783 338 1HB ARG 42 1HB ARG 42 -2.101 2.947 -2.843 339 2HB ARG 42 2HB ARG 42 -0.980 2.293 -4.028 340 1HG ARG 42 1HG ARG 42 -2.559 2.133 -5.645 341 2HG ARG 42 2HG ARG 42 -3.865 1.828 -4.497 342 1HD ARG 42 1HD ARG 42 -3.858 4.169 -3.839 343 2HD ARG 42 2HD ARG 42 -2.510 4.487 -4.931 344 HE ARG 42 HE ARG 42 -4.840 3.373 -6.210 345 1HH1 ARG 42 1HH1 ARG 42 -4.023 7.290 -6.353 346 2HH1 ARG 42 2HH1 ARG 42 -3.212 6.282 -5.202 347 1HH2 ARG 42 1HH2 ARG 42 -5.914 4.691 -7.731 348 2HH2 ARG 42 2HH2 ARG 42 -5.561 6.386 -7.791 349 H LEU 43 H LEU 43 -2.808 -1.598 -3.222 350 HA LEU 43 HA LEU 43 -0.519 -2.391 -4.838 351 1HB LEU 43 1HB LEU 43 -2.793 -4.160 -3.977 352 2HB LEU 43 2HB LEU 43 -1.165 -4.630 -4.431 353 HG LEU 43 HG LEU 43 -2.008 -3.235 -1.893 354 1HD1 LEU 43 1HD1 LEU 43 -0.819 -5.327 -0.967 355 2HD1 LEU 43 2HD1 LEU 43 -1.060 -5.989 -2.583 356 3HD1 LEU 43 3HD1 LEU 43 -2.450 -5.495 -1.617 357 1HD2 LEU 43 1HD2 LEU 43 0.776 -4.133 -2.209 358 2HD2 LEU 43 2HD2 LEU 43 0.125 -2.703 -1.409 359 3HD2 LEU 43 3HD2 LEU 43 0.320 -2.720 -3.161 360 H ILE 44 H ILE 44 -0.574 -2.756 -6.968 361 HA ILE 44 HA ILE 44 -3.171 -2.996 -8.311 362 HB ILE 44 HB ILE 44 -0.961 -1.157 -9.239 363 1HG1 ILE 44 1HG1 ILE 44 -3.742 -0.449 -8.284 364 2HG1 ILE 44 2HG1 ILE 44 -2.304 -0.345 -7.274 365 1HG2 ILE 44 1HG2 ILE 44 -1.940 -1.078 -11.236 366 2HG2 ILE 44 2HG2 ILE 44 -3.540 -0.874 -10.524 367 3HG2 ILE 44 3HG2 ILE 44 -2.869 -2.492 -10.740 368 1HD1 ILE 44 1HD1 ILE 44 -2.187 1.760 -7.976 369 2HD1 ILE 44 2HD1 ILE 44 -3.287 1.467 -9.324 370 3HD1 ILE 44 3HD1 ILE 44 -1.572 1.085 -9.485 371 H PHE 45 H PHE 45 -2.826 -5.162 -8.744 372 HA PHE 45 HA PHE 45 -0.387 -6.128 -9.887 373 1HB PHE 45 1HB PHE 45 -1.713 -7.638 -8.557 374 2HB PHE 45 2HB PHE 45 -3.117 -7.391 -9.592 375 HD1 PHE 45 HD1 PHE 45 -3.600 -9.413 -10.593 376 HD2 PHE 45 HD2 PHE 45 0.449 -8.088 -10.424 377 HE1 PHE 45 HE1 PHE 45 -2.918 -11.333 -11.982 378 HE2 PHE 45 HE2 PHE 45 1.140 -10.004 -11.812 379 HZ PHE 45 HZ PHE 45 -0.545 -11.628 -12.593 380 H ALA 46 H ALA 46 0.188 -5.479 -11.865 381 HA ALA 46 HA ALA 46 0.117 -5.009 -14.094 382 1HB ALA 46 1HB ALA 46 -0.601 -6.733 -15.369 383 2HB ALA 46 2HB ALA 46 -2.178 -6.803 -14.582 384 3HB ALA 46 3HB ALA 46 -0.771 -7.523 -13.800 385 H GLY 47 H GLY 47 -1.739 -3.572 -12.204 386 1HA GLY 47 1HA GLY 47 -2.854 -1.551 -12.939 387 2HA GLY 47 2HA GLY 47 -3.504 -2.466 -14.291 388 H LYS 48 H LYS 48 -3.820 -4.630 -11.990 389 HA LYS 48 HA LYS 48 -6.578 -3.870 -11.442 390 1HB LYS 48 1HB LYS 48 -5.124 -6.354 -11.740 391 2HB LYS 48 2HB LYS 48 -6.060 -6.351 -10.251 392 1HG LYS 48 1HG LYS 48 -8.031 -5.607 -11.673 393 2HG LYS 48 2HG LYS 48 -7.043 -6.041 -13.068 394 1HD LYS 48 1HD LYS 48 -6.843 -8.321 -12.240 395 2HD LYS 48 2HD LYS 48 -7.770 -7.895 -10.800 396 1HE LYS 48 1HE LYS 48 -8.985 -7.360 -13.459 397 2HE LYS 48 2HE LYS 48 -8.899 -9.034 -12.910 398 1HZ LYS 48 1HZ LYS 48 -9.944 -8.146 -10.778 399 2HZ LYS 48 2HZ LYS 48 -10.940 -8.277 -12.138 400 3HZ LYS 48 3HZ LYS 48 -10.335 -6.767 -11.678 401 H GLN 49 H GLN 49 -6.905 -2.635 -9.715 402 HA GLN 49 HA GLN 49 -5.124 -2.590 -7.476 403 1HB GLN 49 1HB GLN 49 -7.086 -0.895 -8.521 404 2HB GLN 49 2HB GLN 49 -7.713 -1.395 -6.957 405 1HG GLN 49 1HG GLN 49 -5.022 -0.774 -6.524 406 2HG GLN 49 2HG GLN 49 -5.647 0.494 -7.578 407 1HE2 GLN 49 1HE2 GLN 49 -6.983 2.004 -6.760 408 2HE2 GLN 49 2HE2 GLN 49 -7.511 2.056 -5.116 409 H LEU 50 H LEU 50 -5.120 -3.948 -5.819 410 HA LEU 50 HA LEU 50 -7.087 -5.963 -5.490 411 1HB LEU 50 1HB LEU 50 -5.021 -5.103 -3.470 412 2HB LEU 50 2HB LEU 50 -5.822 -6.658 -3.568 413 HG LEU 50 HG LEU 50 -3.755 -5.546 -5.459 414 1HD1 LEU 50 1HD1 LEU 50 -2.298 -6.756 -4.306 415 2HD1 LEU 50 2HD1 LEU 50 -3.306 -8.196 -4.451 416 3HD1 LEU 50 3HD1 LEU 50 -3.564 -7.069 -3.118 417 1HD2 LEU 50 1HD2 LEU 50 -4.166 -8.091 -6.286 418 2HD2 LEU 50 2HD2 LEU 50 -4.890 -6.670 -7.041 419 3HD2 LEU 50 3HD2 LEU 50 -5.809 -7.608 -5.863 420 H GLU 51 H GLU 51 -8.728 -6.182 -4.028 421 HA GLU 51 HA GLU 51 -9.428 -3.758 -2.510 422 1HB GLU 51 1HB GLU 51 -11.095 -5.807 -3.927 423 2HB GLU 51 2HB GLU 51 -11.779 -4.897 -2.589 424 1HG GLU 51 1HG GLU 51 -11.872 -2.969 -3.760 425 2HG GLU 51 2HG GLU 51 -10.414 -3.331 -4.684 426 H ASP 52 H ASP 52 -9.717 -3.879 -0.362 427 HA ASP 52 HA ASP 52 -8.728 -5.987 1.136 428 1HB ASP 52 1HB ASP 52 -10.250 -4.839 2.970 429 2HB ASP 52 2HB ASP 52 -8.810 -4.040 2.354 430 H GLY 53 H GLY 53 -9.686 -7.637 2.341 431 1HA GLY 53 1HA GLY 53 -11.413 -9.039 3.060 432 2HA GLY 53 2HA GLY 53 -12.546 -8.099 2.101 433 H ARG 54 H ARG 54 -10.434 -8.452 -0.157 434 HA ARG 54 HA ARG 54 -11.654 -10.882 -1.190 435 1HB ARG 54 1HB ARG 54 -9.740 -8.999 -2.577 436 2HB ARG 54 2HB ARG 54 -10.751 -10.224 -3.332 437 1HG ARG 54 1HG ARG 54 -12.320 -8.365 -1.767 438 2HG ARG 54 2HG ARG 54 -11.357 -7.545 -2.998 439 1HD ARG 54 1HD ARG 54 -13.093 -8.051 -4.336 440 2HD ARG 54 2HD ARG 54 -12.308 -9.627 -4.428 441 HE ARG 54 HE ARG 54 -13.963 -9.740 -2.230 442 1HH1 ARG 54 1HH1 ARG 54 -15.927 -9.840 -5.717 443 2HH1 ARG 54 2HH1 ARG 54 -14.330 -9.175 -5.648 444 1HH2 ARG 54 1HH2 ARG 54 -16.067 -10.616 -2.311 445 2HH2 ARG 54 2HH2 ARG 54 -16.916 -10.659 -3.821 446 H THR 55 H THR 55 -10.475 -12.656 -1.986 447 HA THR 55 HA THR 55 -7.987 -13.123 -0.552 448 HB THR 55 HB THR 55 -8.265 -15.449 -1.181 449 HG1 THR 55 HG1 THR 55 -10.100 -16.025 -2.469 450 1HG2 THR 55 1HG2 THR 55 -11.056 -15.199 -0.649 451 2HG2 THR 55 2HG2 THR 55 -10.159 -14.051 0.344 452 3HG2 THR 55 3HG2 THR 55 -9.764 -15.769 0.406 453 H LEU 56 H LEU 56 -6.234 -14.338 -1.732 454 HA LEU 56 HA LEU 56 -5.314 -12.771 -3.903 455 1HB LEU 56 1HB LEU 56 -4.260 -15.461 -3.042 456 2HB LEU 56 2HB LEU 56 -3.396 -14.219 -3.928 457 HG LEU 56 HG LEU 56 -4.115 -14.298 -1.021 458 1HD1 LEU 56 1HD1 LEU 56 -1.965 -14.849 -0.929 459 2HD1 LEU 56 2HD1 LEU 56 -1.597 -13.202 -1.440 460 3HD1 LEU 56 3HD1 LEU 56 -1.732 -14.489 -2.639 461 1HD2 LEU 56 1HD2 LEU 56 -4.928 -12.154 -1.671 462 2HD2 LEU 56 2HD2 LEU 56 -3.506 -11.851 -2.668 463 3HD2 LEU 56 3HD2 LEU 56 -3.354 -11.915 -0.913 464 H SER 57 H SER 57 -6.415 -16.149 -3.715 465 HA SER 57 HA SER 57 -6.142 -16.753 -6.435 466 1HB SER 57 1HB SER 57 -6.829 -18.183 -4.234 467 2HB SER 57 2HB SER 57 -8.401 -18.033 -5.020 468 HG SER 57 HG SER 57 -6.951 -18.676 -6.974 469 H ASP 58 H ASP 58 -8.585 -14.992 -4.710 470 HA ASP 58 HA ASP 58 -10.754 -15.195 -6.425 471 1HB ASP 58 1HB ASP 58 -9.796 -13.088 -4.534 472 2HB ASP 58 2HB ASP 58 -11.140 -12.715 -5.610 473 H TYR 59 H TYR 59 -7.871 -13.194 -6.671 474 HA TYR 59 HA TYR 59 -8.877 -11.925 -9.098 475 1HB TYR 59 1HB TYR 59 -6.355 -11.508 -7.484 476 2HB TYR 59 2HB TYR 59 -6.707 -10.653 -8.983 477 HD1 TYR 59 HD1 TYR 59 -6.902 -10.468 -5.497 478 HD2 TYR 59 HD2 TYR 59 -9.105 -9.477 -9.010 479 HE1 TYR 59 HE1 TYR 59 -8.154 -8.770 -4.226 480 HE2 TYR 59 HE2 TYR 59 -10.363 -7.775 -7.748 481 HH TYR 59 HH TYR 59 -10.850 -7.010 -5.667 482 H ASN 60 H ASN 60 -8.064 -14.832 -8.825 483 HA ASN 60 HA ASN 60 -6.795 -16.407 -9.910 484 1HB ASN 60 1HB ASN 60 -6.672 -15.756 -12.474 485 2HB ASN 60 2HB ASN 60 -8.200 -16.194 -11.718 486 1HD2 ASN 60 1HD2 ASN 60 -9.822 -14.782 -11.767 487 2HD2 ASN 60 2HD2 ASN 60 -9.705 -13.149 -12.317 488 H LEU 61 H LEU 61 -4.900 -15.590 -8.619 489 HA LEU 61 HA LEU 61 -2.917 -14.144 -10.196 490 1HB LEU 61 1HB LEU 61 -3.242 -14.849 -7.325 491 2HB LEU 61 2HB LEU 61 -1.611 -14.631 -7.927 492 HG LEU 61 HG LEU 61 -2.861 -12.620 -6.864 493 1HD1 LEU 61 1HD1 LEU 61 -1.819 -11.645 -9.391 494 2HD1 LEU 61 2HD1 LEU 61 -0.777 -12.860 -8.651 495 3HD1 LEU 61 3HD1 LEU 61 -1.216 -11.409 -7.751 496 1HD2 LEU 61 1HD2 LEU 61 -4.472 -11.543 -8.028 497 2HD2 LEU 61 2HD2 LEU 61 -4.765 -13.161 -8.665 498 3HD2 LEU 61 3HD2 LEU 61 -3.808 -12.008 -9.594 499 H GLN 62 H GLN 62 -0.559 -15.066 -9.678 500 HA GLN 62 HA GLN 62 -0.515 -17.973 -9.951 501 1HB GLN 62 1HB GLN 62 0.660 -16.059 -11.972 502 2HB GLN 62 2HB GLN 62 1.054 -17.770 -11.900 503 1HG GLN 62 1HG GLN 62 -1.698 -16.640 -12.353 504 2HG GLN 62 2HG GLN 62 -0.624 -17.255 -13.609 505 1HE2 GLN 62 1HE2 GLN 62 -0.058 -19.504 -13.548 506 2HE2 GLN 62 2HE2 GLN 62 -1.147 -20.649 -12.849 507 H LYS 63 H LYS 63 1.735 -18.834 -9.853 508 HA LYS 63 HA LYS 63 3.104 -17.717 -7.639 509 1HB LYS 63 1HB LYS 63 3.133 -20.154 -9.069 510 2HB LYS 63 2HB LYS 63 4.777 -19.532 -9.106 511 1HG LYS 63 1HG LYS 63 4.974 -19.578 -6.782 512 2HG LYS 63 2HG LYS 63 3.228 -19.685 -6.547 513 1HD LYS 63 1HD LYS 63 3.475 -21.891 -6.375 514 2HD LYS 63 2HD LYS 63 3.882 -21.910 -8.091 515 1HE LYS 63 1HE LYS 63 6.041 -22.328 -7.684 516 2HE LYS 63 2HE LYS 63 6.117 -21.130 -6.392 517 1HZ LYS 63 1HZ LYS 63 6.230 -22.842 -5.003 518 2HZ LYS 63 2HZ LYS 63 5.853 -23.961 -6.213 519 3HZ LYS 63 3HZ LYS 63 4.613 -23.181 -5.369 520 H GLU 64 H GLU 64 4.945 -16.516 -7.506 521 HA GLU 64 HA GLU 64 6.595 -15.075 -8.125 522 1HB GLU 64 1HB GLU 64 6.613 -16.694 -10.680 523 2HB GLU 64 2HB GLU 64 7.869 -15.575 -10.165 524 1HG GLU 64 1HG GLU 64 8.147 -17.018 -8.118 525 2HG GLU 64 2HG GLU 64 7.104 -18.195 -8.916 526 H SER 65 H SER 65 4.682 -13.579 -8.147 527 HA SER 65 HA SER 65 4.303 -12.460 -10.849 528 1HB SER 65 1HB SER 65 2.382 -12.873 -8.600 529 2HB SER 65 2HB SER 65 2.166 -11.457 -9.629 530 HG SER 65 HG SER 65 2.183 -14.184 -10.396 531 H THR 66 H THR 66 3.790 -10.094 -10.832 532 HA THR 66 HA THR 66 5.432 -8.736 -8.799 533 HB THR 66 HB THR 66 4.895 -7.960 -11.673 534 HG1 THR 66 HG1 THR 66 6.639 -9.612 -10.698 535 1HG2 THR 66 1HG2 THR 66 5.156 -5.909 -10.594 536 2HG2 THR 66 2HG2 THR 66 6.763 -6.298 -11.208 537 3HG2 THR 66 3HG2 THR 66 6.389 -6.539 -9.502 538 H ILE 67 H ILE 67 4.582 -7.079 -7.663 539 HA ILE 67 HA ILE 67 1.900 -6.131 -8.428 540 HB ILE 67 HB ILE 67 2.875 -6.800 -5.651 541 1HG1 ILE 67 1HG1 ILE 67 0.535 -7.861 -7.251 542 2HG1 ILE 67 2HG1 ILE 67 2.069 -8.698 -7.039 543 1HG2 ILE 67 1HG2 ILE 67 0.387 -6.143 -5.154 544 2HG2 ILE 67 2HG2 ILE 67 0.581 -5.152 -6.601 545 3HG2 ILE 67 3HG2 ILE 67 1.648 -4.909 -5.217 546 1HD1 ILE 67 1HD1 ILE 67 0.977 -9.710 -5.367 547 2HD1 ILE 67 2HD1 ILE 67 -0.194 -8.402 -5.198 548 3HD1 ILE 67 3HD1 ILE 67 1.405 -8.254 -4.470 549 H HIS 68 H HIS 68 1.634 -3.986 -8.470 550 HA HIS 68 HA HIS 68 3.908 -2.311 -7.743 551 1HB HIS 68 1HB HIS 68 1.370 -1.380 -9.077 552 2HB HIS 68 2HB HIS 68 2.967 -0.642 -9.132 553 HD1 HIS 68 HD1 HIS 68 1.637 -1.150 -11.768 554 HD2 HIS 68 HD2 HIS 68 4.024 -3.983 -9.886 555 HE1 HIS 68 HE1 HIS 68 2.415 -2.693 -13.594 556 HE2 HIS 68 HE2 HIS 68 3.763 -4.463 -12.414 557 H LEU 69 H LEU 69 3.978 -1.464 -5.778 558 HA LEU 69 HA LEU 69 1.462 -0.926 -4.362 559 1HB LEU 69 1HB LEU 69 3.224 -2.416 -3.334 560 2HB LEU 69 2HB LEU 69 4.242 -0.995 -3.201 561 HG LEU 69 HG LEU 69 1.506 -0.981 -1.982 562 1HD1 LEU 69 1HD1 LEU 69 3.968 -2.046 -0.610 563 2HD1 LEU 69 2HD1 LEU 69 2.667 -3.056 -1.244 564 3HD1 LEU 69 3HD1 LEU 69 2.341 -1.912 0.059 565 1HD2 LEU 69 1HD2 LEU 69 2.831 0.451 -0.325 566 2HD2 LEU 69 2HD2 LEU 69 2.509 1.125 -1.923 567 3HD2 LEU 69 3HD2 LEU 69 4.100 0.461 -1.551 568 H VAL 70 H VAL 70 0.843 1.082 -3.881 569 HA VAL 70 HA VAL 70 2.804 3.257 -4.112 570 HB VAL 70 HB VAL 70 0.227 4.192 -4.964 571 1HG1 VAL 70 1HG1 VAL 70 2.497 5.200 -5.326 572 2HG1 VAL 70 2HG1 VAL 70 1.468 5.138 -6.758 573 3HG1 VAL 70 3HG1 VAL 70 2.771 3.966 -6.557 574 1HG2 VAL 70 1HG2 VAL 70 0.296 2.986 -7.212 575 2HG2 VAL 70 2HG2 VAL 70 -0.348 2.091 -5.837 576 3HG2 VAL 70 3HG2 VAL 70 1.293 1.779 -6.400 577 H LEU 71 H LEU 71 2.543 4.939 -2.704 578 HA LEU 71 HA LEU 71 0.886 4.435 -0.402 579 1HB LEU 71 1HB LEU 71 3.260 5.860 -0.928 580 2HB LEU 71 2HB LEU 71 2.088 7.046 -0.388 581 HG LEU 71 HG LEU 71 1.777 5.015 1.444 582 1HD1 LEU 71 1HD1 LEU 71 4.712 5.309 0.822 583 2HD1 LEU 71 2HD1 LEU 71 3.742 3.854 0.592 584 3HD1 LEU 71 3HD1 LEU 71 4.032 4.474 2.218 585 1HD2 LEU 71 1HD2 LEU 71 1.748 7.127 2.310 586 2HD2 LEU 71 2HD2 LEU 71 3.163 7.643 1.391 587 3HD2 LEU 71 3HD2 LEU 71 3.360 6.616 2.810 588 H ARG 72 H ARG 72 -0.980 5.416 0.160 589 HA ARG 72 HA ARG 72 -2.672 6.549 -1.670 590 1HB ARG 72 1HB ARG 72 -4.137 6.895 0.062 591 2HB ARG 72 2HB ARG 72 -3.025 5.768 0.826 592 1HG ARG 72 1HG ARG 72 -3.010 8.765 1.132 593 2HG ARG 72 2HG ARG 72 -3.569 7.590 2.325 594 1HD ARG 72 1HD ARG 72 -1.500 7.288 3.083 595 2HD ARG 72 2HD ARG 72 -0.905 6.945 1.459 596 HE ARG 72 HE ARG 72 0.083 8.988 1.545 597 1HH1 ARG 72 1HH1 ARG 72 -2.642 10.788 3.862 598 2HH1 ARG 72 2HH1 ARG 72 -2.842 9.121 3.433 599 1HH2 ARG 72 1HH2 ARG 72 0.355 11.182 2.104 600 2HH2 ARG 72 2HH2 ARG 72 -0.825 11.960 3.105 601 H LEU 73 H LEU 73 -3.350 8.656 -2.166 602 HA LEU 73 HA LEU 73 -1.399 10.760 -1.487 603 1HB LEU 73 1HB LEU 73 -2.196 9.768 -4.029 604 2HB LEU 73 2HB LEU 73 -2.818 11.400 -3.878 605 HG LEU 73 HG LEU 73 0.054 10.826 -3.242 606 1HD1 LEU 73 1HD1 LEU 73 -0.507 11.782 -5.955 607 2HD1 LEU 73 2HD1 LEU 73 -0.953 10.102 -5.657 608 3HD1 LEU 73 3HD1 LEU 73 0.704 10.637 -5.379 609 1HD2 LEU 73 1HD2 LEU 73 -0.113 13.241 -4.486 610 2HD2 LEU 73 2HD2 LEU 73 -0.158 12.997 -2.741 611 3HD2 LEU 73 3HD2 LEU 73 -1.663 13.161 -3.646 612 H ARG 74 H ARG 74 -4.101 9.888 -0.353 613 HA ARG 74 HA ARG 74 -5.038 12.475 0.289 614 1HB ARG 74 1HB ARG 74 -7.328 12.213 -0.743 615 2HB ARG 74 2HB ARG 74 -6.026 12.566 -1.869 616 1HG ARG 74 1HG ARG 74 -6.024 10.404 -2.735 617 2HG ARG 74 2HG ARG 74 -6.906 9.751 -1.354 618 1HD ARG 74 1HD ARG 74 -8.098 11.774 -3.231 619 2HD ARG 74 2HD ARG 74 -8.214 10.038 -3.511 620 HE ARG 74 HE ARG 74 -9.733 11.574 -1.657 621 1HH1 ARG 74 1HH1 ARG 74 -9.432 7.613 -1.161 622 2HH1 ARG 74 2HH1 ARG 74 -8.309 8.441 -2.187 623 1HH2 ARG 74 1HH2 ARG 74 -11.218 10.495 -0.304 624 2HH2 ARG 74 2HH2 ARG 74 -11.088 8.781 -0.092 625 H GLY 75 H GLY 75 -6.078 12.387 2.191 626 1HA GLY 75 1HA GLY 75 -7.878 10.366 2.976 627 2HA GLY 75 2HA GLY 75 -6.290 9.995 3.630 628 H GLY 76 H GLY 76 -7.932 13.115 3.175 629 1HA GLY 76 1HA GLY 76 -8.983 13.729 5.543 630 2HA GLY 76 2HA GLY 76 -7.271 13.816 5.925 Start of MODEL 3 1 1H MET 1 1H MET 1 2.787 -20.257 -1.559 2 2H MET 1 2H MET 1 4.496 -20.202 -1.699 3 3H MET 1 3H MET 1 3.595 -21.348 -2.605 4 HA MET 1 HA MET 1 4.018 -19.798 -4.158 5 1HB MET 1 1HB MET 1 1.698 -20.136 -4.246 6 2HB MET 1 2HB MET 1 1.418 -19.244 -2.758 7 1HG MET 1 1HG MET 1 1.461 -17.220 -3.793 8 2HG MET 1 2HG MET 1 2.556 -17.766 -5.061 9 1HE MET 1 1HE MET 1 -0.320 -15.960 -5.813 10 2HE MET 1 2HE MET 1 -0.576 -16.545 -4.170 11 3HE MET 1 3HE MET 1 -1.716 -16.972 -5.445 12 H GLN 2 H GLN 2 5.566 -18.299 -4.203 13 HA GLN 2 HA GLN 2 5.637 -16.176 -2.223 14 1HB GLN 2 1HB GLN 2 7.531 -17.403 -4.095 15 2HB GLN 2 2HB GLN 2 7.680 -15.653 -3.990 16 1HG GLN 2 1HG GLN 2 9.078 -16.191 -2.308 17 2HG GLN 2 2HG GLN 2 7.575 -16.214 -1.387 18 1HE2 GLN 2 1HE2 GLN 2 9.614 -17.576 -0.366 19 2HE2 GLN 2 2HE2 GLN 2 9.389 -19.279 -0.548 20 H LEU 3 H LEU 3 5.942 -13.917 -2.886 21 HA LEU 3 HA LEU 3 4.880 -13.216 -5.510 22 1HB LEU 3 1HB LEU 3 3.653 -12.159 -2.963 23 2HB LEU 3 2HB LEU 3 3.188 -11.732 -4.599 24 HG LEU 3 HG LEU 3 2.958 -14.535 -3.520 25 1HD1 LEU 3 1HD1 LEU 3 1.590 -13.082 -2.142 26 2HD1 LEU 3 2HD1 LEU 3 0.574 -14.062 -3.197 27 3HD1 LEU 3 3HD1 LEU 3 0.866 -12.366 -3.582 28 1HD2 LEU 3 1HD2 LEU 3 1.239 -14.626 -5.388 29 2HD2 LEU 3 2HD2 LEU 3 2.934 -14.562 -5.872 30 3HD2 LEU 3 3HD2 LEU 3 1.937 -13.110 -5.960 31 H PHE 4 H PHE 4 5.602 -11.278 -6.280 32 HA PHE 4 HA PHE 4 7.599 -9.910 -4.622 33 1HB PHE 4 1HB PHE 4 7.177 -9.929 -7.616 34 2HB PHE 4 2HB PHE 4 8.394 -8.959 -6.795 35 HD1 PHE 4 HD1 PHE 4 10.526 -9.796 -6.745 36 HD2 PHE 4 HD2 PHE 4 7.243 -12.515 -6.890 37 HE1 PHE 4 HE1 PHE 4 12.103 -11.688 -6.846 38 HE2 PHE 4 HE2 PHE 4 8.814 -14.412 -6.990 39 HZ PHE 4 HZ PHE 4 11.246 -13.999 -6.968 40 H VAL 5 H VAL 5 7.218 -7.937 -3.860 41 HA VAL 5 HA VAL 5 5.016 -6.382 -5.055 42 HB VAL 5 HB VAL 5 5.908 -6.285 -2.172 43 1HG1 VAL 5 1HG1 VAL 5 3.514 -5.216 -2.074 44 2HG1 VAL 5 2HG1 VAL 5 3.832 -4.868 -3.774 45 3HG1 VAL 5 3HG1 VAL 5 4.915 -4.245 -2.528 46 1HG2 VAL 5 1HG2 VAL 5 3.918 -7.976 -3.572 47 2HG2 VAL 5 2HG2 VAL 5 3.451 -7.305 -2.009 48 3HG2 VAL 5 3HG2 VAL 5 4.891 -8.317 -2.140 49 H LYS 6 H LYS 6 6.117 -5.011 -6.369 50 HA LYS 6 HA LYS 6 8.455 -3.599 -5.338 51 1HB LYS 6 1HB LYS 6 8.297 -2.610 -7.777 52 2HB LYS 6 2HB LYS 6 8.948 -4.219 -7.494 53 1HG LYS 6 1HG LYS 6 6.851 -5.227 -8.122 54 2HG LYS 6 2HG LYS 6 6.101 -3.638 -8.283 55 1HD LYS 6 1HD LYS 6 8.443 -4.606 -9.918 56 2HD LYS 6 2HD LYS 6 6.762 -4.636 -10.454 57 1HE LYS 6 1HE LYS 6 6.623 -2.248 -10.362 58 2HE LYS 6 2HE LYS 6 8.207 -2.135 -9.596 59 1HZ LYS 6 1HZ LYS 6 8.736 -3.490 -11.872 60 2HZ LYS 6 2HZ LYS 6 8.945 -1.825 -11.664 61 3HZ LYS 6 3HZ LYS 6 7.531 -2.416 -12.378 62 H THR 7 H THR 7 8.534 -1.432 -4.948 63 HA THR 7 HA THR 7 5.950 -0.049 -4.865 64 HB THR 7 HB THR 7 6.915 1.410 -3.227 65 HG1 THR 7 HG1 THR 7 9.160 1.131 -2.661 66 1HG2 THR 7 1HG2 THR 7 6.367 -0.374 -1.943 67 2HG2 THR 7 2HG2 THR 7 8.110 -0.360 -1.674 68 3HG2 THR 7 3HG2 THR 7 7.407 -1.482 -2.838 69 H LEU 8 H LEU 8 6.860 2.576 -4.761 70 HA LEU 8 HA LEU 8 7.318 3.067 -7.571 71 1HB LEU 8 1HB LEU 8 6.366 4.585 -5.257 72 2HB LEU 8 2HB LEU 8 7.384 5.522 -6.334 73 HG LEU 8 HG LEU 8 4.972 3.978 -7.277 74 1HD1 LEU 8 1HD1 LEU 8 3.648 5.546 -6.444 75 2HD1 LEU 8 2HD1 LEU 8 4.539 6.778 -7.338 76 3HD1 LEU 8 3HD1 LEU 8 5.039 6.339 -5.704 77 1HD2 LEU 8 1HD2 LEU 8 7.076 5.472 -8.569 78 2HD2 LEU 8 2HD2 LEU 8 5.491 6.159 -8.920 79 3HD2 LEU 8 3HD2 LEU 8 5.813 4.462 -9.274 80 H THR 9 H THR 9 9.250 2.672 -4.843 81 HA THR 9 HA THR 9 11.377 4.431 -5.766 82 HB THR 9 HB THR 9 12.448 4.024 -3.715 83 HG1 THR 9 HG1 THR 9 10.994 1.627 -3.738 84 1HG2 THR 9 1HG2 THR 9 10.266 3.671 -2.106 85 2HG2 THR 9 2HG2 THR 9 9.566 4.366 -3.568 86 3HG2 THR 9 3HG2 THR 9 10.858 5.214 -2.720 87 H GLY 10 H GLY 10 10.530 1.045 -5.721 88 1HA GLY 10 1HA GLY 10 11.504 -0.281 -7.556 89 2HA GLY 10 2HA GLY 10 13.044 0.469 -7.165 90 H LYS 11 H LYS 11 11.153 -0.300 -4.446 91 HA LYS 11 HA LYS 11 13.003 -2.438 -3.751 92 1HB LYS 11 1HB LYS 11 11.044 -0.760 -2.227 93 2HB LYS 11 2HB LYS 11 11.612 -2.276 -1.537 94 1HG LYS 11 1HG LYS 11 13.895 -1.511 -1.614 95 2HG LYS 11 2HG LYS 11 13.404 -0.032 -2.443 96 1HD LYS 11 1HD LYS 11 12.977 0.963 -0.502 97 2HD LYS 11 2HD LYS 11 11.873 -0.335 -0.043 98 1HE LYS 11 1HE LYS 11 13.423 -0.478 1.642 99 2HE LYS 11 2HE LYS 11 14.096 -1.620 0.480 100 1HZ LYS 11 1HZ LYS 11 15.803 -0.227 -0.045 101 2HZ LYS 11 2HZ LYS 11 15.571 0.229 1.566 102 3HZ LYS 11 3HZ LYS 11 14.939 1.181 0.321 103 H THR 12 H THR 12 12.494 -4.413 -4.427 104 HA THR 12 HA THR 12 9.678 -5.197 -4.601 105 HB THR 12 HB THR 12 12.090 -6.729 -5.576 106 HG1 THR 12 HG1 THR 12 11.567 -4.488 -6.481 107 1HG2 THR 12 1HG2 THR 12 10.196 -8.153 -5.504 108 2HG2 THR 12 2HG2 THR 12 10.437 -7.674 -7.184 109 3HG2 THR 12 3HG2 THR 12 9.165 -6.917 -6.225 110 H LEU 13 H LEU 13 8.828 -6.174 -2.897 111 HA LEU 13 HA LEU 13 10.555 -7.641 -1.051 112 1HB LEU 13 1HB LEU 13 7.988 -6.230 -0.864 113 2HB LEU 13 2HB LEU 13 8.035 -7.744 0.018 114 HG LEU 13 HG LEU 13 8.662 -5.603 1.278 115 1HD1 LEU 13 1HD1 LEU 13 9.164 -8.087 1.848 116 2HD1 LEU 13 2HD1 LEU 13 9.985 -6.803 2.738 117 3HD1 LEU 13 3HD1 LEU 13 10.826 -7.655 1.443 118 1HD2 LEU 13 1HD2 LEU 13 10.127 -4.709 -0.500 119 2HD2 LEU 13 2HD2 LEU 13 11.256 -6.029 -0.195 120 3HD2 LEU 13 3HD2 LEU 13 10.936 -4.836 1.063 121 H THR 14 H THR 14 10.520 -9.800 -0.827 122 HA THR 14 HA THR 14 8.619 -11.298 -2.499 123 HB THR 14 HB THR 14 11.406 -11.932 -1.545 124 HG1 THR 14 HG1 THR 14 11.851 -11.410 -3.509 125 1HG2 THR 14 1HG2 THR 14 10.019 -13.953 -1.269 126 2HG2 THR 14 2HG2 THR 14 11.259 -14.116 -2.513 127 3HG2 THR 14 3HG2 THR 14 9.579 -13.844 -2.974 128 H VAL 15 H VAL 15 6.908 -11.584 -1.130 129 HA VAL 15 HA VAL 15 7.418 -12.730 1.518 130 HB VAL 15 HB VAL 15 4.844 -12.419 1.696 131 1HG1 VAL 15 1HG1 VAL 15 6.403 -11.132 3.002 132 2HG1 VAL 15 2HG1 VAL 15 5.164 -10.052 2.363 133 3HG1 VAL 15 3HG1 VAL 15 6.764 -10.095 1.622 134 1HG2 VAL 15 1HG2 VAL 15 3.740 -11.181 0.161 135 2HG2 VAL 15 2HG2 VAL 15 5.002 -11.786 -0.912 136 3HG2 VAL 15 3HG2 VAL 15 5.144 -10.178 -0.201 137 H GLU 16 H GLU 16 6.076 -14.529 2.249 138 HA GLU 16 HA GLU 16 5.420 -16.369 0.041 139 1HB GLU 16 1HB GLU 16 6.078 -17.418 2.749 140 2HB GLU 16 2HB GLU 16 6.364 -18.134 1.170 141 1HG GLU 16 1HG GLU 16 8.494 -17.591 1.579 142 2HG GLU 16 2HG GLU 16 7.995 -15.989 1.040 143 H LEU 17 H LEU 17 3.294 -16.580 -0.159 144 HA LEU 17 HA LEU 17 1.696 -17.132 2.220 145 1HB LEU 17 1HB LEU 17 0.959 -15.013 0.199 146 2HB LEU 17 2HB LEU 17 -0.067 -15.569 1.507 147 HG LEU 17 HG LEU 17 2.594 -14.550 2.300 148 1HD1 LEU 17 1HD1 LEU 17 1.941 -12.226 2.113 149 2HD1 LEU 17 2HD1 LEU 17 0.424 -12.691 1.341 150 3HD1 LEU 17 3HD1 LEU 17 1.957 -12.981 0.519 151 1HD2 LEU 17 1HD2 LEU 17 1.279 -15.087 4.111 152 2HD2 LEU 17 2HD2 LEU 17 -0.206 -14.545 3.329 153 3HD2 LEU 17 3HD2 LEU 17 0.950 -13.362 3.940 154 H GLU 18 H GLU 18 -0.692 -17.570 1.401 155 HA GLU 18 HA GLU 18 -0.439 -19.390 -0.900 156 1HB GLU 18 1HB GLU 18 -2.476 -19.580 1.319 157 2HB GLU 18 2HB GLU 18 -2.106 -20.790 0.098 158 1HG GLU 18 1HG GLU 18 0.133 -19.959 1.826 159 2HG GLU 18 2HG GLU 18 -1.163 -20.870 2.601 160 HA PRO 19 HA PRO 19 -3.449 -17.240 -3.263 161 1HB PRO 19 1HB PRO 19 -5.091 -19.320 -4.063 162 2HB PRO 19 2HB PRO 19 -3.563 -18.885 -4.835 163 1HG PRO 19 1HG PRO 19 -4.131 -21.021 -2.822 164 2HG PRO 19 2HG PRO 19 -3.075 -21.072 -4.246 165 1HD PRO 19 1HD PRO 19 -2.074 -20.775 -1.778 166 2HD PRO 19 2HD PRO 19 -1.362 -19.931 -3.169 167 H SER 20 H SER 20 -4.479 -19.334 -0.684 168 HA SER 20 HA SER 20 -7.211 -18.476 -0.666 169 1HB SER 20 1HB SER 20 -7.392 -19.716 1.414 170 2HB SER 20 2HB SER 20 -6.461 -20.666 0.256 171 HG SER 20 HG SER 20 -5.634 -20.418 2.517 172 H ASP 21 H ASP 21 -4.251 -17.510 0.963 173 HA ASP 21 HA ASP 21 -5.149 -15.967 3.028 174 1HB ASP 21 1HB ASP 21 -2.892 -15.342 1.112 175 2HB ASP 21 2HB ASP 21 -3.140 -14.533 2.657 176 H THR 22 H THR 22 -5.750 -13.794 3.302 177 HA THR 22 HA THR 22 -7.078 -12.649 0.956 178 HB THR 22 HB THR 22 -8.421 -11.376 2.509 179 HG1 THR 22 HG1 THR 22 -6.357 -11.737 4.140 180 1HG2 THR 22 1HG2 THR 22 -9.695 -13.168 2.717 181 2HG2 THR 22 2HG2 THR 22 -8.813 -13.555 4.195 182 3HG2 THR 22 3HG2 THR 22 -8.295 -14.239 2.654 183 H VAL 23 H VAL 23 -6.988 -10.340 0.591 184 HA VAL 23 HA VAL 23 -4.476 -9.294 0.322 185 HB VAL 23 HB VAL 23 -6.982 -7.674 0.807 186 1HG1 VAL 23 1HG1 VAL 23 -4.479 -6.920 -0.693 187 2HG1 VAL 23 2HG1 VAL 23 -4.841 -6.421 0.959 188 3HG1 VAL 23 3HG1 VAL 23 -5.877 -5.895 -0.368 189 1HG2 VAL 23 1HG2 VAL 23 -7.720 -8.292 -1.197 190 2HG2 VAL 23 2HG2 VAL 23 -6.434 -9.498 -1.243 191 3HG2 VAL 23 3HG2 VAL 23 -6.171 -7.901 -1.944 192 H GLU 24 H GLU 24 -6.577 -9.164 3.123 193 HA GLU 24 HA GLU 24 -5.259 -7.198 4.607 194 1HB GLU 24 1HB GLU 24 -6.634 -9.671 5.673 195 2HB GLU 24 2HB GLU 24 -6.309 -8.193 6.568 196 1HG GLU 24 1HG GLU 24 -8.091 -7.142 5.723 197 2HG GLU 24 2HG GLU 24 -7.833 -7.792 4.105 198 H ASN 25 H ASN 25 -4.813 -10.732 4.637 199 HA ASN 25 HA ASN 25 -2.748 -10.855 6.491 200 1HB ASN 25 1HB ASN 25 -3.128 -12.615 4.057 201 2HB ASN 25 2HB ASN 25 -2.172 -13.014 5.481 202 1HD2 ASN 25 1HD2 ASN 25 -3.678 -12.383 7.556 203 2HD2 ASN 25 2HD2 ASN 25 -5.174 -13.247 7.548 204 H LEU 26 H LEU 26 -2.573 -10.511 2.957 205 HA LEU 26 HA LEU 26 0.199 -10.475 2.690 206 1HB LEU 26 1HB LEU 26 -1.085 -10.622 0.717 207 2HB LEU 26 2HB LEU 26 -2.006 -9.184 1.110 208 HG LEU 26 HG LEU 26 -0.027 -7.792 0.696 209 1HD1 LEU 26 1HD1 LEU 26 1.951 -8.823 -0.377 210 2HD1 LEU 26 2HD1 LEU 26 1.280 -10.413 -0.012 211 3HD1 LEU 26 3HD1 LEU 26 1.727 -9.321 1.300 212 1HD2 LEU 26 1HD2 LEU 26 -1.685 -8.663 -1.120 213 2HD2 LEU 26 2HD2 LEU 26 -0.277 -9.551 -1.702 214 3HD2 LEU 26 3HD2 LEU 26 -0.229 -7.790 -1.597 215 H LYS 27 H LYS 27 -2.012 -7.694 2.988 216 HA LYS 27 HA LYS 27 -0.127 -5.672 3.069 217 1HB LYS 27 1HB LYS 27 -2.780 -5.880 4.501 218 2HB LYS 27 2HB LYS 27 -1.835 -4.400 4.400 219 1HG LYS 27 1HG LYS 27 -2.159 -4.217 2.086 220 2HG LYS 27 2HG LYS 27 -2.714 -5.887 1.948 221 1HD LYS 27 1HD LYS 27 -4.823 -5.355 2.499 222 2HD LYS 27 2HD LYS 27 -4.308 -4.253 3.778 223 1HE LYS 27 1HE LYS 27 -5.549 -3.206 1.841 224 2HE LYS 27 2HE LYS 27 -3.999 -2.474 2.257 225 1HZ LYS 27 1HZ LYS 27 -4.455 -2.880 -0.182 226 2HZ LYS 27 2HZ LYS 27 -4.244 -4.527 0.140 227 3HZ LYS 27 3HZ LYS 27 -2.973 -3.444 0.408 228 H ALA 28 H ALA 28 -1.323 -7.732 5.676 229 HA ALA 28 HA ALA 28 -0.143 -6.479 7.855 230 1HB ALA 28 1HB ALA 28 -0.163 -8.741 8.916 231 2HB ALA 28 2HB ALA 28 -0.652 -9.408 7.358 232 3HB ALA 28 3HB ALA 28 -1.701 -8.265 8.196 233 H LYS 29 H LYS 29 1.202 -8.939 5.678 234 HA LYS 29 HA LYS 29 3.672 -9.279 6.934 235 1HB LYS 29 1HB LYS 29 2.669 -9.657 4.144 236 2HB LYS 29 2HB LYS 29 4.402 -9.732 4.427 237 1HG LYS 29 1HG LYS 29 3.650 -11.948 4.541 238 2HG LYS 29 2HG LYS 29 3.891 -11.452 6.218 239 1HD LYS 29 1HD LYS 29 1.481 -10.984 6.404 240 2HD LYS 29 2HD LYS 29 1.260 -11.544 4.745 241 1HE LYS 29 1HE LYS 29 0.694 -13.400 6.036 242 2HE LYS 29 2HE LYS 29 2.356 -13.722 5.544 243 1HZ LYS 29 1HZ LYS 29 1.916 -14.171 7.918 244 2HZ LYS 29 2HZ LYS 29 1.593 -12.528 8.152 245 3HZ LYS 29 3HZ LYS 29 3.138 -13.025 7.676 246 H ILE 30 H ILE 30 2.677 -6.987 4.414 247 HA ILE 30 HA ILE 30 5.222 -5.753 4.152 248 HB ILE 30 HB ILE 30 2.477 -4.689 3.469 249 1HG1 ILE 30 1HG1 ILE 30 4.559 -6.246 1.956 250 2HG1 ILE 30 2HG1 ILE 30 2.836 -6.572 2.110 251 1HG2 ILE 30 1HG2 ILE 30 4.022 -2.854 3.733 252 2HG2 ILE 30 2HG2 ILE 30 3.689 -3.099 2.018 253 3HG2 ILE 30 3HG2 ILE 30 5.210 -3.664 2.713 254 1HD1 ILE 30 1HD1 ILE 30 2.453 -4.469 0.769 255 2HD1 ILE 30 2HD1 ILE 30 3.171 -5.831 -0.091 256 3HD1 ILE 30 3HD1 ILE 30 4.184 -4.486 0.432 257 H GLN 31 H GLN 31 2.763 -5.543 6.504 258 HA GLN 31 HA GLN 31 3.565 -2.905 7.438 259 1HB GLN 31 1HB GLN 31 1.194 -3.435 7.495 260 2HB GLN 31 2HB GLN 31 1.506 -4.864 8.471 261 1HG GLN 31 1HG GLN 31 2.247 -3.482 10.314 262 2HG GLN 31 2HG GLN 31 2.037 -2.031 9.335 263 1HE2 GLN 31 1HE2 GLN 31 0.718 -1.581 11.348 264 2HE2 GLN 31 2HE2 GLN 31 -0.955 -2.004 11.281 265 H ASP 32 H ASP 32 3.845 -6.286 8.339 266 HA ASP 32 HA ASP 32 5.217 -5.652 10.814 267 1HB ASP 32 1HB ASP 32 3.605 -7.701 10.174 268 2HB ASP 32 2HB ASP 32 5.166 -8.426 9.811 269 H LYS 33 H LYS 33 6.162 -5.475 7.756 270 HA LYS 33 HA LYS 33 8.886 -6.404 8.373 271 1HB LYS 33 1HB LYS 33 7.336 -6.665 5.803 272 2HB LYS 33 2HB LYS 33 9.090 -6.782 5.854 273 1HG LYS 33 1HG LYS 33 8.148 -8.503 7.854 274 2HG LYS 33 2HG LYS 33 7.117 -8.771 6.446 275 1HD LYS 33 1HD LYS 33 9.729 -8.578 5.451 276 2HD LYS 33 2HD LYS 33 9.841 -9.583 6.899 277 1HE LYS 33 1HE LYS 33 7.691 -10.704 5.815 278 2HE LYS 33 2HE LYS 33 8.425 -10.081 4.338 279 1HZ LYS 33 1HZ LYS 33 10.144 -11.516 4.476 280 2HZ LYS 33 2HZ LYS 33 9.031 -12.441 5.351 281 3HZ LYS 33 3HZ LYS 33 10.183 -11.511 6.168 282 H GLU 34 H GLU 34 6.975 -4.255 6.278 283 HA GLU 34 HA GLU 34 9.267 -2.425 6.149 284 1HB GLU 34 1HB GLU 34 7.005 -3.047 4.349 285 2HB GLU 34 2HB GLU 34 7.471 -1.353 4.428 286 1HG GLU 34 1HG GLU 34 9.100 -3.704 3.538 287 2HG GLU 34 2HG GLU 34 8.690 -2.239 2.645 288 H GLY 35 H GLY 35 6.356 -2.874 7.763 289 1HA GLY 35 1HA GLY 35 5.277 -1.553 9.309 290 2HA GLY 35 2HA GLY 35 6.555 -0.366 9.100 291 H ILE 36 H ILE 36 4.566 -1.565 6.471 292 HA ILE 36 HA ILE 36 3.552 1.160 6.088 293 HB ILE 36 HB ILE 36 3.110 -0.982 4.064 294 1HG1 ILE 36 1HG1 ILE 36 5.747 0.449 4.464 295 2HG1 ILE 36 2HG1 ILE 36 5.464 -1.267 4.738 296 1HG2 ILE 36 1HG2 ILE 36 2.368 1.521 4.029 297 2HG2 ILE 36 2HG2 ILE 36 2.988 0.758 2.564 298 3HG2 ILE 36 3HG2 ILE 36 4.034 1.803 3.526 299 1HD1 ILE 36 1HD1 ILE 36 6.023 -1.649 2.639 300 2HD1 ILE 36 2HD1 ILE 36 6.161 0.081 2.327 301 3HD1 ILE 36 3HD1 ILE 36 4.609 -0.731 2.120 302 HA PRO 37 HA PRO 37 -0.417 -0.327 7.474 303 1HB PRO 37 1HB PRO 37 -1.723 2.012 7.350 304 2HB PRO 37 2HB PRO 37 -0.502 1.693 8.588 305 1HG PRO 37 1HG PRO 37 -0.270 3.260 6.050 306 2HG PRO 37 2HG PRO 37 0.388 3.625 7.654 307 1HD PRO 37 1HD PRO 37 1.839 2.511 5.596 308 2HD PRO 37 2HD PRO 37 2.240 2.331 7.314 309 HA PRO 38 HA PRO 38 -2.528 -1.418 3.737 310 1HB PRO 38 1HB PRO 38 -4.937 -1.180 5.479 311 2HB PRO 38 2HB PRO 38 -4.427 -2.514 4.439 312 1HG PRO 38 1HG PRO 38 -4.133 -2.674 7.077 313 2HG PRO 38 2HG PRO 38 -2.883 -3.301 5.987 314 1HD PRO 38 1HD PRO 38 -2.907 -0.788 7.600 315 2HD PRO 38 2HD PRO 38 -1.554 -1.873 7.220 316 H ASP 39 H ASP 39 -3.356 1.352 5.670 317 HA ASP 39 HA ASP 39 -5.324 2.493 4.012 318 1HB ASP 39 1HB ASP 39 -3.713 3.318 6.302 319 2HB ASP 39 2HB ASP 39 -4.040 4.643 5.189 320 H GLN 40 H GLN 40 -1.807 3.008 4.154 321 HA GLN 40 HA GLN 40 -1.947 4.651 1.745 322 1HB GLN 40 1HB GLN 40 0.574 3.943 3.222 323 2HB GLN 40 2HB GLN 40 0.245 5.350 2.220 324 1HG GLN 40 1HG GLN 40 -1.616 5.644 4.172 325 2HG GLN 40 2HG GLN 40 -0.295 4.884 5.059 326 1HE2 GLN 40 1HE2 GLN 40 -0.806 7.252 5.934 327 2HE2 GLN 40 2HE2 GLN 40 0.304 8.446 5.363 328 H GLN 41 H GLN 41 -1.851 1.446 2.340 329 HA GLN 41 HA GLN 41 0.140 0.744 0.342 330 1HB GLN 41 1HB GLN 41 -1.310 -0.639 2.473 331 2HB GLN 41 2HB GLN 41 -1.175 -1.582 0.996 332 1HG GLN 41 1HG GLN 41 1.306 -1.044 1.065 333 2HG GLN 41 2HG GLN 41 1.020 -0.485 2.714 334 1HE2 GLN 41 1HE2 GLN 41 0.820 -1.936 4.319 335 2HE2 GLN 41 2HE2 GLN 41 0.909 -3.647 4.107 336 H ARG 42 H ARG 42 -0.472 1.070 -1.706 337 HA ARG 42 HA ARG 42 -3.178 0.220 -2.501 338 1HB ARG 42 1HB ARG 42 -1.350 2.365 -3.522 339 2HB ARG 42 2HB ARG 42 -2.553 1.662 -4.594 340 1HG ARG 42 1HG ARG 42 -4.325 2.316 -3.057 341 2HG ARG 42 2HG ARG 42 -3.126 2.997 -1.955 342 1HD ARG 42 1HD ARG 42 -3.519 4.918 -3.042 343 2HD ARG 42 2HD ARG 42 -2.484 4.233 -4.294 344 HE ARG 42 HE ARG 42 -5.018 3.324 -4.851 345 1HH1 ARG 42 1HH1 ARG 42 -4.522 7.216 -5.646 346 2HH1 ARG 42 2HH1 ARG 42 -3.470 6.426 -4.519 347 1HH2 ARG 42 1HH2 ARG 42 -6.407 4.353 -6.337 348 2HH2 ARG 42 2HH2 ARG 42 -6.192 6.036 -6.681 349 H LEU 43 H LEU 43 -2.993 -1.851 -3.142 350 HA LEU 43 HA LEU 43 -0.689 -2.703 -4.698 351 1HB LEU 43 1HB LEU 43 -3.046 -4.427 -4.008 352 2HB LEU 43 2HB LEU 43 -1.389 -4.910 -4.316 353 HG LEU 43 HG LEU 43 -2.385 -3.454 -1.866 354 1HD1 LEU 43 1HD1 LEU 43 -1.504 -6.291 -2.347 355 2HD1 LEU 43 2HD1 LEU 43 -3.072 -5.725 -1.771 356 3HD1 LEU 43 3HD1 LEU 43 -1.647 -5.571 -0.742 357 1HD2 LEU 43 1HD2 LEU 43 -0.067 -3.896 -1.032 358 2HD2 LEU 43 2HD2 LEU 43 -0.169 -2.701 -2.326 359 3HD2 LEU 43 3HD2 LEU 43 0.376 -4.340 -2.681 360 H ILE 44 H ILE 44 -0.661 -2.867 -6.838 361 HA ILE 44 HA ILE 44 -3.231 -2.913 -8.280 362 HB ILE 44 HB ILE 44 -0.796 -1.580 -9.419 363 1HG1 ILE 44 1HG1 ILE 44 -1.118 -0.375 -7.383 364 2HG1 ILE 44 2HG1 ILE 44 -1.849 0.593 -8.660 365 1HG2 ILE 44 1HG2 ILE 44 -3.201 -0.350 -10.199 366 2HG2 ILE 44 2HG2 ILE 44 -3.478 -2.090 -10.271 367 3HG2 ILE 44 3HG2 ILE 44 -2.141 -1.372 -11.170 368 1HD1 ILE 44 1HD1 ILE 44 -3.740 -1.238 -7.451 369 2HD1 ILE 44 2HD1 ILE 44 -3.848 0.504 -7.705 370 3HD1 ILE 44 3HD1 ILE 44 -3.022 -0.130 -6.282 371 H PHE 45 H PHE 45 -3.294 -5.030 -8.851 372 HA PHE 45 HA PHE 45 -0.926 -6.222 -10.098 373 1HB PHE 45 1HB PHE 45 -1.797 -7.647 -8.423 374 2HB PHE 45 2HB PHE 45 -3.456 -7.387 -8.951 375 HD1 PHE 45 HD1 PHE 45 -0.225 -8.847 -10.082 376 HD2 PHE 45 HD2 PHE 45 -4.480 -8.913 -10.358 377 HE1 PHE 45 HE1 PHE 45 -0.100 -10.882 -11.470 378 HE2 PHE 45 HE2 PHE 45 -4.363 -10.948 -11.744 379 HZ PHE 45 HZ PHE 45 -2.171 -11.934 -12.301 380 H ALA 46 H ALA 46 -0.771 -6.277 -12.233 381 HA ALA 46 HA ALA 46 -1.299 -6.116 -14.445 382 1HB ALA 46 1HB ALA 46 -2.810 -8.215 -13.311 383 2HB ALA 46 2HB ALA 46 -2.285 -8.029 -14.984 384 3HB ALA 46 3HB ALA 46 -3.848 -7.392 -14.475 385 H GLY 47 H GLY 47 -2.226 -3.968 -12.690 386 1HA GLY 47 1HA GLY 47 -3.268 -1.951 -13.205 387 2HA GLY 47 2HA GLY 47 -4.058 -2.735 -14.564 388 H LYS 48 H LYS 48 -4.238 -4.245 -11.466 389 HA LYS 48 HA LYS 48 -7.011 -3.292 -11.177 390 1HB LYS 48 1HB LYS 48 -5.924 -6.040 -10.537 391 2HB LYS 48 2HB LYS 48 -7.572 -5.505 -10.242 392 1HG LYS 48 1HG LYS 48 -6.746 -5.103 -12.998 393 2HG LYS 48 2HG LYS 48 -6.655 -6.792 -12.492 394 1HD LYS 48 1HD LYS 48 -9.002 -6.508 -11.586 395 2HD LYS 48 2HD LYS 48 -9.047 -4.965 -12.442 396 1HE LYS 48 1HE LYS 48 -8.734 -6.057 -14.553 397 2HE LYS 48 2HE LYS 48 -8.443 -7.606 -13.763 398 1HZ LYS 48 1HZ LYS 48 -10.609 -7.915 -14.193 399 2HZ LYS 48 2HZ LYS 48 -10.945 -6.263 -14.336 400 3HZ LYS 48 3HZ LYS 48 -10.855 -6.978 -12.806 401 H GLN 49 H GLN 49 -7.401 -2.237 -9.351 402 HA GLN 49 HA GLN 49 -5.419 -2.219 -7.241 403 1HB GLN 49 1HB GLN 49 -6.688 -0.178 -8.129 404 2HB GLN 49 2HB GLN 49 -8.063 -0.776 -7.212 405 1HG GLN 49 1HG GLN 49 -6.354 -0.809 -5.237 406 2HG GLN 49 2HG GLN 49 -5.478 0.341 -6.246 407 1HE2 GLN 49 1HE2 GLN 49 -6.534 0.950 -3.728 408 2HE2 GLN 49 2HE2 GLN 49 -7.782 2.128 -3.928 409 H LEU 50 H LEU 50 -5.438 -3.739 -5.732 410 HA LEU 50 HA LEU 50 -7.649 -5.420 -5.195 411 1HB LEU 50 1HB LEU 50 -5.399 -5.010 -3.259 412 2HB LEU 50 2HB LEU 50 -6.294 -6.476 -3.611 413 HG LEU 50 HG LEU 50 -4.265 -5.166 -5.424 414 1HD1 LEU 50 1HD1 LEU 50 -3.798 -6.691 -3.206 415 2HD1 LEU 50 2HD1 LEU 50 -2.710 -6.535 -4.586 416 3HD1 LEU 50 3HD1 LEU 50 -3.825 -7.899 -4.490 417 1HD2 LEU 50 1HD2 LEU 50 -5.808 -7.736 -5.767 418 2HD2 LEU 50 2HD2 LEU 50 -4.546 -7.129 -6.839 419 3HD2 LEU 50 3HD2 LEU 50 -6.066 -6.250 -6.680 420 H GLU 51 H GLU 51 -8.989 -5.549 -3.382 421 HA GLU 51 HA GLU 51 -9.083 -3.147 -1.684 422 1HB GLU 51 1HB GLU 51 -11.290 -4.448 -3.239 423 2HB GLU 51 2HB GLU 51 -11.657 -3.603 -1.742 424 1HG GLU 51 1HG GLU 51 -12.000 -2.001 -3.379 425 2HG GLU 51 2HG GLU 51 -10.387 -1.632 -2.769 426 H ASP 52 H ASP 52 -9.334 -3.506 0.446 427 HA ASP 52 HA ASP 52 -8.811 -5.913 1.636 428 1HB ASP 52 1HB ASP 52 -8.694 -3.900 2.930 429 2HB ASP 52 2HB ASP 52 -10.406 -3.571 2.684 430 H GLY 53 H GLY 53 -9.854 -7.785 1.509 431 1HA GLY 53 1HA GLY 53 -11.998 -8.788 2.464 432 2HA GLY 53 2HA GLY 53 -12.795 -7.741 1.300 433 H ARG 54 H ARG 54 -10.564 -8.233 -0.651 434 HA ARG 54 HA ARG 54 -11.679 -10.690 -1.748 435 1HB ARG 54 1HB ARG 54 -9.601 -9.032 -3.130 436 2HB ARG 54 2HB ARG 54 -10.895 -9.997 -3.828 437 1HG ARG 54 1HG ARG 54 -12.234 -8.086 -2.353 438 2HG ARG 54 2HG ARG 54 -10.869 -7.206 -3.045 439 1HD ARG 54 1HD ARG 54 -11.700 -7.322 -5.122 440 2HD ARG 54 2HD ARG 54 -12.183 -9.007 -4.933 441 HE ARG 54 HE ARG 54 -14.284 -8.312 -4.263 442 1HH1 ARG 54 1HH1 ARG 54 -13.397 -4.411 -4.423 443 2HH1 ARG 54 2HH1 ARG 54 -12.131 -5.589 -4.533 444 1HH2 ARG 54 1HH2 ARG 54 -15.960 -6.771 -4.116 445 2HH2 ARG 54 2HH2 ARG 54 -15.574 -5.084 -4.185 446 H THR 55 H THR 55 -10.435 -12.467 -2.396 447 HA THR 55 HA THR 55 -8.031 -12.858 -0.802 448 HB THR 55 HB THR 55 -8.238 -15.234 -1.619 449 HG1 THR 55 HG1 THR 55 -9.918 -15.802 -2.848 450 1HG2 THR 55 1HG2 THR 55 -9.190 -14.774 0.509 451 2HG2 THR 55 2HG2 THR 55 -10.341 -15.757 -0.396 452 3HG2 THR 55 3HG2 THR 55 -10.606 -14.021 -0.224 453 H LEU 56 H LEU 56 -6.100 -13.811 -1.732 454 HA LEU 56 HA LEU 56 -5.132 -12.393 -3.940 455 1HB LEU 56 1HB LEU 56 -4.089 -14.976 -2.774 456 2HB LEU 56 2HB LEU 56 -3.199 -13.906 -3.840 457 HG LEU 56 HG LEU 56 -4.242 -12.950 -1.188 458 1HD1 LEU 56 1HD1 LEU 56 -2.568 -13.880 -0.021 459 2HD1 LEU 56 2HD1 LEU 56 -1.410 -13.702 -1.341 460 3HD1 LEU 56 3HD1 LEU 56 -2.542 -15.055 -1.336 461 1HD2 LEU 56 1HD2 LEU 56 -1.729 -11.889 -2.114 462 2HD2 LEU 56 2HD2 LEU 56 -3.230 -11.047 -1.724 463 3HD2 LEU 56 3HD2 LEU 56 -2.981 -11.703 -3.342 464 H SER 57 H SER 57 -6.371 -15.701 -3.684 465 HA SER 57 HA SER 57 -5.799 -16.517 -6.306 466 1HB SER 57 1HB SER 57 -6.431 -18.108 -4.561 467 2HB SER 57 2HB SER 57 -8.043 -17.401 -4.476 468 HG SER 57 HG SER 57 -8.149 -17.978 -6.803 469 H ASP 58 H ASP 58 -8.431 -14.640 -4.969 470 HA ASP 58 HA ASP 58 -10.267 -14.810 -7.061 471 1HB ASP 58 1HB ASP 58 -9.678 -12.601 -5.091 472 2HB ASP 58 2HB ASP 58 -11.002 -12.508 -6.249 473 H TYR 59 H TYR 59 -7.308 -12.996 -6.766 474 HA TYR 59 HA TYR 59 -7.869 -11.461 -9.182 475 1HB TYR 59 1HB TYR 59 -5.557 -11.419 -7.238 476 2HB TYR 59 2HB TYR 59 -5.624 -10.428 -8.691 477 HD1 TYR 59 HD1 TYR 59 -6.552 -10.687 -5.248 478 HD2 TYR 59 HD2 TYR 59 -7.592 -8.800 -8.926 479 HE1 TYR 59 HE1 TYR 59 -7.798 -8.964 -4.004 480 HE2 TYR 59 HE2 TYR 59 -8.841 -7.071 -7.692 481 HH TYR 59 HH TYR 59 -9.805 -7.360 -4.588 482 H ASN 60 H ASN 60 -7.405 -14.433 -9.112 483 HA ASN 60 HA ASN 60 -6.175 -16.049 -10.176 484 1HB ASN 60 1HB ASN 60 -5.662 -15.384 -12.594 485 2HB ASN 60 2HB ASN 60 -7.344 -15.287 -12.083 486 1HD2 ASN 60 1HD2 ASN 60 -4.546 -13.536 -13.080 487 2HD2 ASN 60 2HD2 ASN 60 -5.303 -11.990 -13.227 488 H LEU 61 H LEU 61 -4.576 -14.657 -8.389 489 HA LEU 61 HA LEU 61 -2.149 -13.781 -9.631 490 1HB LEU 61 1HB LEU 61 -3.005 -14.332 -6.815 491 2HB LEU 61 2HB LEU 61 -1.310 -14.079 -7.181 492 HG LEU 61 HG LEU 61 -3.583 -12.129 -7.483 493 1HD1 LEU 61 1HD1 LEU 61 -1.310 -11.009 -6.272 494 2HD1 LEU 61 2HD1 LEU 61 -1.529 -12.600 -5.543 495 3HD1 LEU 61 3HD1 LEU 61 -2.846 -11.428 -5.513 496 1HD2 LEU 61 1HD2 LEU 61 -1.683 -10.606 -8.337 497 2HD2 LEU 61 2HD2 LEU 61 -2.449 -11.725 -9.465 498 3HD2 LEU 61 3HD2 LEU 61 -0.879 -12.117 -8.764 499 H GLN 62 H GLN 62 -0.516 -14.980 -10.339 500 HA GLN 62 HA GLN 62 -0.522 -17.846 -9.763 501 1HB GLN 62 1HB GLN 62 0.979 -16.213 -11.815 502 2HB GLN 62 2HB GLN 62 1.165 -17.948 -11.611 503 1HG GLN 62 1HG GLN 62 -0.484 -18.221 -13.055 504 2HG GLN 62 2HG GLN 62 -1.579 -17.542 -11.850 505 1HE2 GLN 62 1HE2 GLN 62 -2.710 -16.952 -13.893 506 2HE2 GLN 62 2HE2 GLN 62 -2.306 -15.437 -14.621 507 H LYS 63 H LYS 63 2.002 -18.636 -10.003 508 HA LYS 63 HA LYS 63 3.165 -17.884 -7.515 509 1HB LYS 63 1HB LYS 63 3.339 -20.164 -8.455 510 2HB LYS 63 2HB LYS 63 4.345 -19.538 -9.753 511 1HG LYS 63 1HG LYS 63 6.176 -19.364 -8.439 512 2HG LYS 63 2HG LYS 63 5.239 -18.958 -7.000 513 1HD LYS 63 1HD LYS 63 4.778 -21.182 -6.517 514 2HD LYS 63 2HD LYS 63 5.093 -21.709 -8.171 515 1HE LYS 63 1HE LYS 63 7.232 -20.612 -6.359 516 2HE LYS 63 2HE LYS 63 6.841 -22.330 -6.452 517 1HZ LYS 63 1HZ LYS 63 7.438 -20.846 -8.920 518 2HZ LYS 63 2HZ LYS 63 7.651 -22.490 -8.579 519 3HZ LYS 63 3HZ LYS 63 8.713 -21.347 -7.926 520 H GLU 64 H GLU 64 4.903 -16.615 -7.064 521 HA GLU 64 HA GLU 64 6.304 -14.834 -7.312 522 1HB GLU 64 1HB GLU 64 7.033 -16.367 -9.814 523 2HB GLU 64 2HB GLU 64 7.992 -15.074 -9.108 524 1HG GLU 64 1HG GLU 64 8.744 -16.369 -7.401 525 2HG GLU 64 2HG GLU 64 7.287 -17.360 -7.363 526 H SER 65 H SER 65 4.190 -13.643 -7.729 527 HA SER 65 HA SER 65 3.917 -12.673 -10.466 528 1HB SER 65 1HB SER 65 2.240 -12.423 -7.981 529 2HB SER 65 2HB SER 65 1.962 -11.369 -9.367 530 HG SER 65 HG SER 65 1.650 -13.248 -10.632 531 H THR 66 H THR 66 3.356 -10.208 -10.559 532 HA THR 66 HA THR 66 5.324 -8.734 -8.937 533 HB THR 66 HB THR 66 4.762 -8.385 -11.889 534 HG1 THR 66 HG1 THR 66 7.108 -8.895 -11.891 535 1HG2 THR 66 1HG2 THR 66 6.242 -6.620 -11.983 536 2HG2 THR 66 2HG2 THR 66 6.954 -6.997 -10.413 537 3HG2 THR 66 3HG2 THR 66 5.341 -6.289 -10.504 538 H ILE 67 H ILE 67 4.014 -7.651 -7.573 539 HA ILE 67 HA ILE 67 1.654 -6.286 -8.643 540 HB ILE 67 HB ILE 67 2.532 -6.741 -5.791 541 1HG1 ILE 67 1HG1 ILE 67 0.085 -7.841 -7.164 542 2HG1 ILE 67 2HG1 ILE 67 1.630 -8.685 -7.212 543 1HG2 ILE 67 1HG2 ILE 67 1.351 -4.635 -5.971 544 2HG2 ILE 67 2HG2 ILE 67 0.332 -5.831 -5.171 545 3HG2 ILE 67 3HG2 ILE 67 0.044 -5.417 -6.861 546 1HD1 ILE 67 1HD1 ILE 67 0.602 -7.857 -4.562 547 2HD1 ILE 67 2HD1 ILE 67 1.528 -9.285 -5.028 548 3HD1 ILE 67 3HD1 ILE 67 -0.197 -9.199 -5.381 549 H HIS 68 H HIS 68 1.324 -4.074 -8.417 550 HA HIS 68 HA HIS 68 3.779 -2.518 -8.016 551 1HB HIS 68 1HB HIS 68 1.195 -1.832 -9.426 552 2HB HIS 68 2HB HIS 68 2.530 -0.706 -9.210 553 HD1 HIS 68 HD1 HIS 68 3.085 -0.470 -11.677 554 HD2 HIS 68 HD2 HIS 68 3.156 -4.405 -10.348 555 HE1 HIS 68 HE1 HIS 68 4.119 -1.793 -13.549 556 HE2 HIS 68 HE2 HIS 68 4.064 -4.185 -12.760 557 H LEU 69 H LEU 69 3.999 -1.746 -6.025 558 HA LEU 69 HA LEU 69 1.667 -1.124 -4.407 559 1HB LEU 69 1HB LEU 69 3.736 -2.322 -3.551 560 2HB LEU 69 2HB LEU 69 4.562 -0.780 -3.654 561 HG LEU 69 HG LEU 69 2.024 -0.862 -2.109 562 1HD1 LEU 69 1HD1 LEU 69 4.318 -1.538 -0.466 563 2HD1 LEU 69 2HD1 LEU 69 3.916 -2.810 -1.620 564 3HD1 LEU 69 3HD1 LEU 69 2.696 -2.231 -0.487 565 1HD2 LEU 69 1HD2 LEU 69 4.369 0.808 -2.393 566 2HD2 LEU 69 2HD2 LEU 69 4.030 0.433 -0.703 567 3HD2 LEU 69 3HD2 LEU 69 2.790 1.187 -1.705 568 H VAL 70 H VAL 70 0.743 0.789 -4.537 569 HA VAL 70 HA VAL 70 2.407 3.119 -5.218 570 HB VAL 70 HB VAL 70 -0.432 3.651 -5.352 571 1HG1 VAL 70 1HG1 VAL 70 0.291 4.171 -7.765 572 2HG1 VAL 70 2HG1 VAL 70 1.923 3.811 -7.200 573 3HG1 VAL 70 3HG1 VAL 70 1.000 5.118 -6.457 574 1HG2 VAL 70 1HG2 VAL 70 -0.609 1.255 -5.843 575 2HG2 VAL 70 2HG2 VAL 70 0.569 1.439 -7.142 576 3HG2 VAL 70 3HG2 VAL 70 -0.998 2.240 -7.251 577 H LEU 71 H LEU 71 2.099 5.072 -4.105 578 HA LEU 71 HA LEU 71 1.171 4.704 -1.355 579 1HB LEU 71 1HB LEU 71 2.833 6.888 -2.613 580 2HB LEU 71 2HB LEU 71 2.385 6.826 -0.919 581 HG LEU 71 HG LEU 71 4.681 6.066 -1.258 582 1HD1 LEU 71 1HD1 LEU 71 2.600 4.576 0.030 583 2HD1 LEU 71 2HD1 LEU 71 4.274 4.821 0.530 584 3HD1 LEU 71 3HD1 LEU 71 3.861 3.482 -0.540 585 1HD2 LEU 71 1HD2 LEU 71 3.805 3.593 -2.631 586 2HD2 LEU 71 2HD2 LEU 71 5.332 4.468 -2.732 587 3HD2 LEU 71 3HD2 LEU 71 3.917 5.063 -3.599 588 H ARG 72 H ARG 72 -0.675 5.557 -0.657 589 HA ARG 72 HA ARG 72 -2.689 6.572 -2.084 590 1HB ARG 72 1HB ARG 72 -1.931 6.690 0.701 591 2HB ARG 72 2HB ARG 72 -2.789 8.152 0.232 592 1HG ARG 72 1HG ARG 72 -4.583 6.688 -0.718 593 2HG ARG 72 2HG ARG 72 -3.753 5.313 0.013 594 1HD ARG 72 1HD ARG 72 -3.922 6.537 2.213 595 2HD ARG 72 2HD ARG 72 -4.996 7.676 1.401 596 HE ARG 72 HE ARG 72 -5.933 5.066 0.966 597 1HH1 ARG 72 1HH1 ARG 72 -6.955 6.808 4.421 598 2HH1 ARG 72 2HH1 ARG 72 -5.596 7.402 3.527 599 1HH2 ARG 72 1HH2 ARG 72 -7.722 4.276 2.137 600 2HH2 ARG 72 2HH2 ARG 72 -8.164 5.031 3.632 601 H LEU 73 H LEU 73 -3.520 8.607 -2.675 602 HA LEU 73 HA LEU 73 -2.039 10.318 -4.076 603 1HB LEU 73 1HB LEU 73 -3.774 12.099 -2.870 604 2HB LEU 73 2HB LEU 73 -4.090 11.149 -4.310 605 HG LEU 73 HG LEU 73 -4.632 9.843 -1.699 606 1HD1 LEU 73 1HD1 LEU 73 -5.481 12.190 -1.470 607 2HD1 LEU 73 2HD1 LEU 73 -6.717 10.935 -1.362 608 3HD1 LEU 73 3HD1 LEU 73 -6.537 11.871 -2.847 609 1HD2 LEU 73 1HD2 LEU 73 -6.062 8.569 -2.910 610 2HD2 LEU 73 2HD2 LEU 73 -5.001 9.075 -4.223 611 3HD2 LEU 73 3HD2 LEU 73 -6.537 9.902 -3.962 612 H ARG 74 H ARG 74 -0.871 12.217 -3.809 613 HA ARG 74 HA ARG 74 -0.249 13.056 -1.074 614 1HB ARG 74 1HB ARG 74 2.208 13.229 -1.892 615 2HB ARG 74 2HB ARG 74 1.589 11.665 -1.379 616 1HG ARG 74 1HG ARG 74 1.141 12.096 -4.198 617 2HG ARG 74 2HG ARG 74 2.847 12.264 -3.777 618 1HD ARG 74 1HD ARG 74 3.072 10.078 -3.287 619 2HD ARG 74 2HD ARG 74 1.481 9.981 -2.532 620 HE ARG 74 HE ARG 74 0.596 9.305 -4.541 621 1HH1 ARG 74 1HH1 ARG 74 3.913 9.975 -6.679 622 2HH1 ARG 74 2HH1 ARG 74 3.824 10.514 -5.036 623 1HH2 ARG 74 1HH2 ARG 74 0.704 8.588 -6.703 624 2HH2 ARG 74 2HH2 ARG 74 2.140 8.879 -7.628 625 H GLY 75 H GLY 75 1.446 15.015 -1.339 626 1HA GLY 75 1HA GLY 75 1.628 17.226 -1.928 627 2HA GLY 75 2HA GLY 75 1.368 16.670 -3.574 628 H GLY 76 H GLY 76 -0.542 17.180 -0.600 629 1HA GLY 76 1HA GLY 76 -2.769 18.096 -2.283 630 2HA GLY 76 2HA GLY 76 -2.891 17.599 -0.601 Start of MODEL 4 1 1H MET 1 1H MET 1 2.377 -19.045 -1.458 2 2H MET 1 2H MET 1 3.280 -20.500 -1.333 3 3H MET 1 3H MET 1 1.905 -20.426 -2.359 4 HA MET 1 HA MET 1 4.231 -20.270 -3.346 5 1HB MET 1 1HB MET 1 3.258 -18.563 -5.000 6 2HB MET 1 2HB MET 1 2.349 -20.046 -4.738 7 1HG MET 1 1HG MET 1 1.139 -18.577 -2.918 8 2HG MET 1 2HG MET 1 1.712 -17.259 -3.940 9 1HE MET 1 1HE MET 1 -0.556 -16.646 -3.813 10 2HE MET 1 2HE MET 1 -1.964 -17.537 -4.392 11 3HE MET 1 3HE MET 1 -1.038 -16.528 -5.505 12 H GLN 2 H GLN 2 5.687 -18.608 -4.187 13 HA GLN 2 HA GLN 2 6.164 -16.530 -2.170 14 1HB GLN 2 1HB GLN 2 7.864 -18.376 -3.458 15 2HB GLN 2 2HB GLN 2 8.298 -16.791 -4.084 16 1HG GLN 2 1HG GLN 2 8.430 -16.020 -1.684 17 2HG GLN 2 2HG GLN 2 8.305 -17.719 -1.229 18 1HE2 GLN 2 1HE2 GLN 2 10.353 -17.680 -0.290 19 2HE2 GLN 2 2HE2 GLN 2 11.795 -17.662 -1.242 20 H LEU 3 H LEU 3 5.003 -14.779 -2.779 21 HA LEU 3 HA LEU 3 5.118 -13.889 -5.562 22 1HB LEU 3 1HB LEU 3 3.549 -12.603 -3.342 23 2HB LEU 3 2HB LEU 3 3.285 -12.474 -5.071 24 HG LEU 3 HG LEU 3 2.870 -14.995 -3.463 25 1HD1 LEU 3 1HD1 LEU 3 0.879 -14.221 -2.878 26 2HD1 LEU 3 2HD1 LEU 3 0.472 -13.949 -4.572 27 3HD1 LEU 3 3HD1 LEU 3 1.256 -12.675 -3.638 28 1HD2 LEU 3 1HD2 LEU 3 1.426 -15.173 -5.789 29 2HD2 LEU 3 2HD2 LEU 3 2.984 -15.939 -5.483 30 3HD2 LEU 3 3HD2 LEU 3 2.914 -14.385 -6.313 31 H PHE 4 H PHE 4 5.424 -11.537 -5.959 32 HA PHE 4 HA PHE 4 7.491 -10.459 -4.158 33 1HB PHE 4 1HB PHE 4 7.164 -10.102 -7.144 34 2HB PHE 4 2HB PHE 4 8.369 -9.270 -6.165 35 HD1 PHE 4 HD1 PHE 4 7.167 -12.788 -6.588 36 HD2 PHE 4 HD2 PHE 4 10.485 -10.122 -6.335 37 HE1 PHE 4 HE1 PHE 4 8.709 -14.687 -6.886 38 HE2 PHE 4 HE2 PHE 4 12.035 -12.016 -6.633 39 HZ PHE 4 HZ PHE 4 11.147 -14.302 -6.909 40 H VAL 5 H VAL 5 7.631 -8.109 -4.024 41 HA VAL 5 HA VAL 5 5.195 -6.657 -4.737 42 HB VAL 5 HB VAL 5 6.295 -6.724 -1.924 43 1HG1 VAL 5 1HG1 VAL 5 5.443 -4.510 -2.676 44 2HG1 VAL 5 2HG1 VAL 5 4.530 -5.209 -1.338 45 3HG1 VAL 5 3HG1 VAL 5 3.878 -5.265 -2.976 46 1HG2 VAL 5 1HG2 VAL 5 4.301 -7.850 -1.284 47 2HG2 VAL 5 2HG2 VAL 5 4.969 -8.727 -2.660 48 3HG2 VAL 5 3HG2 VAL 5 3.595 -7.645 -2.887 49 H LYS 6 H LYS 6 6.062 -5.133 -6.011 50 HA LYS 6 HA LYS 6 8.560 -3.836 -5.221 51 1HB LYS 6 1HB LYS 6 8.646 -2.954 -7.454 52 2HB LYS 6 2HB LYS 6 8.260 -4.667 -7.554 53 1HG LYS 6 1HG LYS 6 6.002 -4.228 -8.081 54 2HG LYS 6 2HG LYS 6 6.157 -2.525 -7.643 55 1HD LYS 6 1HD LYS 6 7.836 -3.687 -9.832 56 2HD LYS 6 2HD LYS 6 6.170 -3.197 -10.147 57 1HE LYS 6 1HE LYS 6 6.648 -0.945 -9.445 58 2HE LYS 6 2HE LYS 6 8.271 -1.407 -8.933 59 1HZ LYS 6 1HZ LYS 6 8.668 -0.503 -10.985 60 2HZ LYS 6 2HZ LYS 6 7.214 -1.050 -11.651 61 3HZ LYS 6 3HZ LYS 6 8.489 -2.133 -11.403 62 H THR 7 H THR 7 8.759 -1.567 -5.068 63 HA THR 7 HA THR 7 6.266 -0.246 -4.268 64 HB THR 7 HB THR 7 8.103 1.473 -3.400 65 HG1 THR 7 HG1 THR 7 10.017 0.562 -2.989 66 1HG2 THR 7 1HG2 THR 7 6.480 0.038 -2.050 67 2HG2 THR 7 2HG2 THR 7 7.968 0.566 -1.263 68 3HG2 THR 7 3HG2 THR 7 7.830 -1.084 -1.870 69 H LEU 8 H LEU 8 6.709 2.342 -4.506 70 HA LEU 8 HA LEU 8 6.732 2.745 -7.374 71 1HB LEU 8 1HB LEU 8 5.408 3.928 -5.215 72 2HB LEU 8 2HB LEU 8 6.500 5.165 -5.807 73 HG LEU 8 HG LEU 8 4.180 3.876 -7.188 74 1HD1 LEU 8 1HD1 LEU 8 4.947 6.720 -7.490 75 2HD1 LEU 8 2HD1 LEU 8 4.371 6.199 -5.906 76 3HD1 LEU 8 3HD1 LEU 8 3.353 5.983 -7.331 77 1HD2 LEU 8 1HD2 LEU 8 5.416 5.422 -9.119 78 2HD2 LEU 8 2HD2 LEU 8 5.331 3.660 -9.080 79 3HD2 LEU 8 3HD2 LEU 8 6.735 4.491 -8.410 80 H THR 9 H THR 9 9.031 2.776 -4.963 81 HA THR 9 HA THR 9 10.631 4.899 -6.182 82 HB THR 9 HB THR 9 12.204 4.338 -4.244 83 HG1 THR 9 HG1 THR 9 11.463 2.350 -3.633 84 1HG2 THR 9 1HG2 THR 9 9.629 5.089 -3.016 85 2HG2 THR 9 2HG2 THR 9 10.220 6.110 -4.327 86 3HG2 THR 9 3HG2 THR 9 11.216 5.848 -2.895 87 H GLY 10 H GLY 10 10.786 1.431 -5.444 88 1HA GLY 10 1HA GLY 10 11.766 0.256 -7.531 89 2HA GLY 10 2HA GLY 10 13.181 1.218 -7.136 90 H LYS 11 H LYS 11 10.991 -0.349 -4.854 91 HA LYS 11 HA LYS 11 13.217 -2.108 -4.056 92 1HB LYS 11 1HB LYS 11 12.008 -0.127 -2.527 93 2HB LYS 11 2HB LYS 11 11.254 -1.613 -1.965 94 1HG LYS 11 1HG LYS 11 14.178 -0.921 -1.976 95 2HG LYS 11 2HG LYS 11 13.134 -1.216 -0.583 96 1HD LYS 11 1HD LYS 11 13.617 -3.327 -2.661 97 2HD LYS 11 2HD LYS 11 14.723 -3.093 -1.305 98 1HE LYS 11 1HE LYS 11 11.763 -3.600 -1.039 99 2HE LYS 11 2HE LYS 11 13.006 -4.843 -0.903 100 1HZ LYS 11 1HZ LYS 11 12.720 -4.284 1.274 101 2HZ LYS 11 2HZ LYS 11 12.342 -2.669 0.946 102 3HZ LYS 11 3HZ LYS 11 13.949 -3.193 0.872 103 H THR 12 H THR 12 12.726 -4.068 -4.820 104 HA THR 12 HA THR 12 9.954 -5.013 -4.628 105 HB THR 12 HB THR 12 12.246 -6.245 -6.165 106 HG1 THR 12 HG1 THR 12 11.782 -4.957 -7.756 107 1HG2 THR 12 1HG2 THR 12 10.854 -7.803 -6.927 108 2HG2 THR 12 2HG2 THR 12 9.528 -6.657 -7.120 109 3HG2 THR 12 3HG2 THR 12 9.844 -7.383 -5.544 110 H LEU 13 H LEU 13 9.405 -6.462 -3.140 111 HA LEU 13 HA LEU 13 11.557 -7.970 -1.806 112 1HB LEU 13 1HB LEU 13 10.101 -8.030 0.180 113 2HB LEU 13 2HB LEU 13 10.545 -6.398 -0.283 114 HG LEU 13 HG LEU 13 8.140 -6.799 -1.597 115 1HD1 LEU 13 1HD1 LEU 13 7.236 -8.600 -0.585 116 2HD1 LEU 13 2HD1 LEU 13 6.838 -7.426 0.669 117 3HD1 LEU 13 3HD1 LEU 13 8.263 -8.451 0.841 118 1HD2 LEU 13 1HD2 LEU 13 7.287 -5.156 -0.095 119 2HD2 LEU 13 2HD2 LEU 13 8.991 -4.795 -0.367 120 3HD2 LEU 13 3HD2 LEU 13 8.483 -5.572 1.131 121 H THR 14 H THR 14 10.214 -9.847 -0.456 122 HA THR 14 HA THR 14 8.356 -11.188 -2.251 123 HB THR 14 HB THR 14 11.060 -12.300 -1.508 124 HG1 THR 14 HG1 THR 14 11.350 -12.385 -3.673 125 1HG2 THR 14 1HG2 THR 14 10.111 -14.276 -2.962 126 2HG2 THR 14 2HG2 THR 14 8.583 -13.742 -2.262 127 3HG2 THR 14 3HG2 THR 14 9.911 -14.235 -1.210 128 H VAL 15 H VAL 15 6.947 -12.522 -1.213 129 HA VAL 15 HA VAL 15 7.466 -13.245 1.573 130 HB VAL 15 HB VAL 15 5.234 -12.505 2.284 131 1HG1 VAL 15 1HG1 VAL 15 7.290 -11.061 2.488 132 2HG1 VAL 15 2HG1 VAL 15 5.749 -10.205 2.540 133 3HG1 VAL 15 3HG1 VAL 15 6.718 -10.187 1.068 134 1HG2 VAL 15 1HG2 VAL 15 3.754 -12.301 0.598 135 2HG2 VAL 15 2HG2 VAL 15 4.996 -11.865 -0.577 136 3HG2 VAL 15 3HG2 VAL 15 4.357 -10.645 0.525 137 H GLU 16 H GLU 16 6.178 -14.984 2.346 138 HA GLU 16 HA GLU 16 5.220 -16.712 0.192 139 1HB GLU 16 1HB GLU 16 6.569 -17.129 2.701 140 2HB GLU 16 2HB GLU 16 5.087 -18.075 2.656 141 1HG GLU 16 1HG GLU 16 6.136 -18.555 0.186 142 2HG GLU 16 2HG GLU 16 7.584 -18.414 1.182 143 H LEU 17 H LEU 17 3.150 -16.277 -0.297 144 HA LEU 17 HA LEU 17 1.190 -16.441 1.887 145 1HB LEU 17 1HB LEU 17 1.454 -14.347 -0.226 146 2HB LEU 17 2HB LEU 17 -0.148 -14.791 0.330 147 HG LEU 17 HG LEU 17 2.094 -13.656 2.001 148 1HD1 LEU 17 1HD1 LEU 17 1.104 -11.664 1.801 149 2HD1 LEU 17 2HD1 LEU 17 -0.513 -12.347 1.974 150 3HD1 LEU 17 3HD1 LEU 17 0.288 -12.364 0.402 151 1HD2 LEU 17 1HD2 LEU 17 -0.154 -13.626 3.556 152 2HD2 LEU 17 2HD2 LEU 17 1.164 -14.790 3.687 153 3HD2 LEU 17 3HD2 LEU 17 -0.275 -15.189 2.748 154 H GLU 18 H GLU 18 -0.650 -17.582 1.448 155 HA GLU 18 HA GLU 18 -0.617 -19.147 -1.013 156 1HB GLU 18 1HB GLU 18 -2.649 -19.542 1.139 157 2HB GLU 18 2HB GLU 18 -1.895 -20.730 0.090 158 1HG GLU 18 1HG GLU 18 -0.458 -21.224 1.680 159 2HG GLU 18 2HG GLU 18 0.124 -19.562 1.688 160 HA PRO 19 HA PRO 19 -3.776 -17.090 -3.262 161 1HB PRO 19 1HB PRO 19 -5.141 -19.744 -3.355 162 2HB PRO 19 2HB PRO 19 -4.751 -18.633 -4.674 163 1HG PRO 19 1HG PRO 19 -3.297 -20.827 -4.279 164 2HG PRO 19 2HG PRO 19 -2.528 -19.302 -4.755 165 1HD PRO 19 1HD PRO 19 -2.584 -20.653 -2.098 166 2HD PRO 19 2HD PRO 19 -1.305 -19.673 -2.843 167 H SER 20 H SER 20 -4.655 -19.178 -0.587 168 HA SER 20 HA SER 20 -7.357 -18.389 -0.351 169 1HB SER 20 1HB SER 20 -7.381 -19.568 1.673 170 2HB SER 20 2HB SER 20 -6.112 -20.381 0.756 171 HG SER 20 HG SER 20 -4.592 -19.084 1.896 172 H ASP 21 H ASP 21 -4.365 -17.136 1.051 173 HA ASP 21 HA ASP 21 -5.275 -15.392 2.938 174 1HB ASP 21 1HB ASP 21 -3.067 -14.954 0.919 175 2HB ASP 21 2HB ASP 21 -3.321 -13.938 2.335 176 H THR 22 H THR 22 -5.761 -13.122 2.931 177 HA THR 22 HA THR 22 -7.152 -12.285 0.475 178 HB THR 22 HB THR 22 -8.615 -10.954 1.883 179 HG1 THR 22 HG1 THR 22 -6.707 -11.556 3.800 180 1HG2 THR 22 1HG2 THR 22 -8.857 -13.572 1.704 181 2HG2 THR 22 2HG2 THR 22 -9.916 -12.606 2.733 182 3HG2 THR 22 3HG2 THR 22 -8.552 -13.475 3.439 183 H VAL 23 H VAL 23 -7.233 -9.932 0.081 184 HA VAL 23 HA VAL 23 -4.778 -8.782 -0.251 185 HB VAL 23 HB VAL 23 -7.281 -7.189 0.308 186 1HG1 VAL 23 1HG1 VAL 23 -5.060 -6.503 -1.589 187 2HG1 VAL 23 2HG1 VAL 23 -4.998 -6.053 0.115 188 3HG1 VAL 23 3HG1 VAL 23 -6.299 -5.448 -0.910 189 1HG2 VAL 23 1HG2 VAL 23 -7.610 -7.308 -2.176 190 2HG2 VAL 23 2HG2 VAL 23 -7.879 -8.825 -1.317 191 3HG2 VAL 23 3HG2 VAL 23 -6.380 -8.572 -2.211 192 H GLU 24 H GLU 24 -6.874 -8.590 2.574 193 HA GLU 24 HA GLU 24 -5.513 -6.590 3.982 194 1HB GLU 24 1HB GLU 24 -7.770 -7.713 4.509 195 2HB GLU 24 2HB GLU 24 -6.818 -8.951 5.317 196 1HG GLU 24 1HG GLU 24 -6.035 -6.292 6.138 197 2HG GLU 24 2HG GLU 24 -7.750 -6.590 6.413 198 H ASN 25 H ASN 25 -5.144 -10.128 4.114 199 HA ASN 25 HA ASN 25 -3.132 -10.280 6.011 200 1HB ASN 25 1HB ASN 25 -3.721 -12.001 3.604 201 2HB ASN 25 2HB ASN 25 -2.449 -12.397 4.754 202 1HD2 ASN 25 1HD2 ASN 25 -3.423 -11.954 7.141 203 2HD2 ASN 25 2HD2 ASN 25 -4.858 -12.867 7.442 204 H LEU 26 H LEU 26 -2.869 -9.805 2.509 205 HA LEU 26 HA LEU 26 -0.092 -9.867 2.284 206 1HB LEU 26 1HB LEU 26 -1.434 -9.890 0.312 207 2HB LEU 26 2HB LEU 26 -2.183 -8.360 0.726 208 HG LEU 26 HG LEU 26 -0.214 -7.139 0.203 209 1HD1 LEU 26 1HD1 LEU 26 1.265 -9.013 1.214 210 2HD1 LEU 26 2HD1 LEU 26 1.911 -8.001 -0.078 211 3HD1 LEU 26 3HD1 LEU 26 1.318 -9.622 -0.441 212 1HD2 LEU 26 1HD2 LEU 26 -0.198 -9.194 -1.964 213 2HD2 LEU 26 2HD2 LEU 26 -0.123 -7.437 -2.083 214 3HD2 LEU 26 3HD2 LEU 26 -1.645 -8.229 -1.676 215 H LYS 27 H LYS 27 -2.221 -7.045 2.735 216 HA LYS 27 HA LYS 27 -0.212 -5.115 2.928 217 1HB LYS 27 1HB LYS 27 -2.869 -5.086 4.369 218 2HB LYS 27 2HB LYS 27 -1.879 -3.692 3.958 219 1HG LYS 27 1HG LYS 27 -2.195 -4.575 1.512 220 2HG LYS 27 2HG LYS 27 -3.605 -5.373 2.215 221 1HD LYS 27 1HD LYS 27 -4.712 -3.423 2.549 222 2HD LYS 27 2HD LYS 27 -3.234 -2.521 2.896 223 1HE LYS 27 1HE LYS 27 -2.717 -2.319 0.587 224 2HE LYS 27 2HE LYS 27 -3.963 -3.483 0.138 225 1HZ LYS 27 1HZ LYS 27 -5.515 -1.748 1.270 226 2HZ LYS 27 2HZ LYS 27 -4.996 -1.511 -0.322 227 3HZ LYS 27 3HZ LYS 27 -4.249 -0.675 0.943 228 H ALA 28 H ALA 28 -1.885 -6.905 5.512 229 HA ALA 28 HA ALA 28 -0.745 -5.854 7.747 230 1HB ALA 28 1HB ALA 28 -1.367 -7.768 8.873 231 2HB ALA 28 2HB ALA 28 -0.914 -8.830 7.538 232 3HB ALA 28 3HB ALA 28 -2.384 -7.861 7.435 233 H LYS 29 H LYS 29 0.676 -8.332 5.639 234 HA LYS 29 HA LYS 29 3.037 -8.724 7.113 235 1HB LYS 29 1HB LYS 29 2.606 -9.021 4.135 236 2HB LYS 29 2HB LYS 29 3.944 -9.701 5.050 237 1HG LYS 29 1HG LYS 29 1.081 -10.378 5.650 238 2HG LYS 29 2HG LYS 29 2.040 -11.263 4.461 239 1HD LYS 29 1HD LYS 29 3.138 -10.849 7.204 240 2HD LYS 29 2HD LYS 29 1.907 -12.087 6.945 241 1HE LYS 29 1HE LYS 29 3.621 -12.560 4.877 242 2HE LYS 29 2HE LYS 29 4.725 -12.032 6.147 243 1HZ LYS 29 1HZ LYS 29 4.146 -14.506 5.984 244 2HZ LYS 29 2HZ LYS 29 2.672 -14.077 6.694 245 3HZ LYS 29 3HZ LYS 29 4.121 -13.782 7.514 246 H ILE 30 H ILE 30 2.327 -6.593 4.360 247 HA ILE 30 HA ILE 30 4.874 -5.481 4.065 248 HB ILE 30 HB ILE 30 2.231 -4.098 3.580 249 1HG1 ILE 30 1HG1 ILE 30 3.916 -5.677 1.627 250 2HG1 ILE 30 2HG1 ILE 30 2.502 -6.330 2.449 251 1HG2 ILE 30 1HG2 ILE 30 5.045 -3.423 2.992 252 2HG2 ILE 30 2HG2 ILE 30 3.660 -2.371 3.286 253 3HG2 ILE 30 3HG2 ILE 30 3.877 -3.122 1.705 254 1HD1 ILE 30 1HD1 ILE 30 1.071 -5.261 1.103 255 2HD1 ILE 30 2HD1 ILE 30 2.457 -5.174 0.016 256 3HD1 ILE 30 3HD1 ILE 30 2.055 -3.799 1.043 257 H GLN 31 H GLN 31 2.546 -5.075 6.533 258 HA GLN 31 HA GLN 31 3.491 -2.492 7.416 259 1HB GLN 31 1HB GLN 31 1.117 -3.386 7.691 260 2HB GLN 31 2HB GLN 31 1.757 -4.406 8.973 261 1HG GLN 31 1HG GLN 31 2.448 -2.453 10.224 262 2HG GLN 31 2HG GLN 31 1.903 -1.399 8.919 263 1HE2 GLN 31 1HE2 GLN 31 0.531 -4.167 10.674 264 2HE2 GLN 31 2HE2 GLN 31 -0.966 -3.395 11.062 265 H ASP 32 H ASP 32 3.951 -5.868 8.273 266 HA ASP 32 HA ASP 32 5.628 -5.170 10.541 267 1HB ASP 32 1HB ASP 32 4.075 -7.431 9.793 268 2HB ASP 32 2HB ASP 32 5.745 -7.946 9.998 269 H LYS 33 H LYS 33 5.989 -5.646 7.234 270 HA LYS 33 HA LYS 33 8.786 -6.499 7.501 271 1HB LYS 33 1HB LYS 33 6.749 -6.700 5.344 272 2HB LYS 33 2HB LYS 33 8.429 -6.530 4.856 273 1HG LYS 33 1HG LYS 33 7.601 -8.609 6.845 274 2HG LYS 33 2HG LYS 33 7.461 -8.888 5.107 275 1HD LYS 33 1HD LYS 33 9.997 -8.122 6.554 276 2HD LYS 33 2HD LYS 33 9.574 -9.755 6.033 277 1HE LYS 33 1HE LYS 33 10.562 -9.305 4.094 278 2HE LYS 33 2HE LYS 33 9.251 -8.172 3.765 279 1HZ LYS 33 1HZ LYS 33 10.875 -6.718 5.338 280 2HZ LYS 33 2HZ LYS 33 10.891 -6.678 3.647 281 3HZ LYS 33 3HZ LYS 33 11.996 -7.651 4.480 282 H GLU 34 H GLU 34 6.923 -4.238 5.456 283 HA GLU 34 HA GLU 34 9.291 -2.580 5.139 284 1HB GLU 34 1HB GLU 34 6.701 -2.881 3.760 285 2HB GLU 34 2HB GLU 34 7.320 -1.236 3.833 286 1HG GLU 34 1HG GLU 34 9.355 -1.897 2.743 287 2HG GLU 34 2HG GLU 34 8.872 -3.592 2.789 288 H GLY 35 H GLY 35 6.749 -2.800 7.299 289 1HA GLY 35 1HA GLY 35 6.146 -1.438 9.056 290 2HA GLY 35 2HA GLY 35 7.467 -0.372 8.602 291 H ILE 36 H ILE 36 4.858 -1.283 6.438 292 HA ILE 36 HA ILE 36 3.842 1.481 6.608 293 HB ILE 36 HB ILE 36 3.817 -0.201 4.108 294 1HG1 ILE 36 1HG1 ILE 36 5.814 1.894 4.987 295 2HG1 ILE 36 2HG1 ILE 36 6.139 0.190 4.686 296 1HG2 ILE 36 1HG2 ILE 36 2.207 1.420 3.823 297 2HG2 ILE 36 2HG2 ILE 36 3.631 2.227 3.168 298 3HG2 ILE 36 3HG2 ILE 36 3.075 2.605 4.798 299 1HD1 ILE 36 1HD1 ILE 36 5.350 0.668 2.297 300 2HD1 ILE 36 2HD1 ILE 36 6.935 1.259 2.791 301 3HD1 ILE 36 3HD1 ILE 36 5.564 2.366 2.720 302 HA PRO 37 HA PRO 37 0.065 -0.584 7.839 303 1HB PRO 37 1HB PRO 37 -1.073 2.080 7.199 304 2HB PRO 37 2HB PRO 37 -1.189 1.135 8.687 305 1HG PRO 37 1HG PRO 37 0.377 3.293 8.547 306 2HG PRO 37 2HG PRO 37 0.875 1.855 9.459 307 1HD PRO 37 1HD PRO 37 1.765 2.795 6.763 308 2HD PRO 37 2HD PRO 37 2.710 2.041 8.064 309 HA PRO 38 HA PRO 38 -1.851 -1.821 4.067 310 1HB PRO 38 1HB PRO 38 -4.430 -1.554 5.524 311 2HB PRO 38 2HB PRO 38 -3.763 -2.944 4.661 312 1HG PRO 38 1HG PRO 38 -3.785 -2.876 7.325 313 2HG PRO 38 2HG PRO 38 -2.413 -3.567 6.440 314 1HD PRO 38 1HD PRO 38 -2.650 -0.924 7.813 315 2HD PRO 38 2HD PRO 38 -1.254 -2.015 7.698 316 H ASP 39 H ASP 39 -3.551 0.753 5.843 317 HA ASP 39 HA ASP 39 -4.878 1.796 3.562 318 1HB ASP 39 1HB ASP 39 -4.441 2.684 6.374 319 2HB ASP 39 2HB ASP 39 -4.932 3.902 5.200 320 H GLN 40 H GLN 40 -1.696 2.158 4.822 321 HA GLN 40 HA GLN 40 -1.178 4.609 3.349 322 1HB GLN 40 1HB GLN 40 0.533 2.889 5.138 323 2HB GLN 40 2HB GLN 40 1.148 4.299 4.285 324 1HG GLN 40 1HG GLN 40 0.286 4.438 6.769 325 2HG GLN 40 2HG GLN 40 0.064 5.764 5.630 326 1HE2 GLN 40 1HE2 GLN 40 -1.434 3.992 7.920 327 2HE2 GLN 40 2HE2 GLN 40 -3.078 4.187 7.426 328 H GLN 41 H GLN 41 -1.602 1.642 2.307 329 HA GLN 41 HA GLN 41 0.382 1.933 0.185 330 1HB GLN 41 1HB GLN 41 0.397 -0.772 0.461 331 2HB GLN 41 2HB GLN 41 1.628 0.304 1.110 332 1HG GLN 41 1HG GLN 41 1.043 -0.104 3.221 333 2HG GLN 41 2HG GLN 41 -0.679 -0.018 2.853 334 1HE2 GLN 41 1HE2 GLN 41 0.536 -1.882 4.597 335 2HE2 GLN 41 2HE2 GLN 41 0.298 -3.460 3.936 336 H ARG 42 H ARG 42 -0.247 1.135 -1.804 337 HA ARG 42 HA ARG 42 -2.968 0.019 -1.952 338 1HB ARG 42 1HB ARG 42 -2.171 2.538 -2.852 339 2HB ARG 42 2HB ARG 42 -2.222 1.548 -4.304 340 1HG ARG 42 1HG ARG 42 -4.520 0.953 -3.871 341 2HG ARG 42 2HG ARG 42 -4.484 1.826 -2.337 342 1HD ARG 42 1HD ARG 42 -5.282 3.562 -3.495 343 2HD ARG 42 2HD ARG 42 -3.644 3.726 -4.126 344 HE ARG 42 HE ARG 42 -4.913 1.898 -5.757 345 1HH1 ARG 42 1HH1 ARG 42 -6.093 5.680 -6.334 346 2HH1 ARG 42 2HH1 ARG 42 -5.358 5.225 -4.833 347 1HH2 ARG 42 1HH2 ARG 42 -5.879 2.485 -7.738 348 2HH2 ARG 42 2HH2 ARG 42 -6.390 4.121 -7.986 349 H LEU 43 H LEU 43 -3.034 -1.891 -2.923 350 HA LEU 43 HA LEU 43 -0.729 -2.785 -4.469 351 1HB LEU 43 1HB LEU 43 -3.081 -4.537 -3.947 352 2HB LEU 43 2HB LEU 43 -1.379 -4.948 -4.024 353 HG LEU 43 HG LEU 43 -2.789 -3.571 -1.740 354 1HD1 LEU 43 1HD1 LEU 43 -1.520 -5.825 -0.808 355 2HD1 LEU 43 2HD1 LEU 43 -2.151 -6.336 -2.374 356 3HD1 LEU 43 3HD1 LEU 43 -3.242 -5.675 -1.158 357 1HD2 LEU 43 1HD2 LEU 43 -0.037 -3.500 -2.519 358 2HD2 LEU 43 2HD2 LEU 43 -0.201 -4.395 -1.008 359 3HD2 LEU 43 3HD2 LEU 43 -0.822 -2.748 -1.129 360 H ILE 44 H ILE 44 -0.712 -2.870 -6.616 361 HA ILE 44 HA ILE 44 -3.283 -2.909 -8.049 362 HB ILE 44 HB ILE 44 -0.895 -1.358 -9.029 363 1HG1 ILE 44 1HG1 ILE 44 -1.804 -0.504 -6.818 364 2HG1 ILE 44 2HG1 ILE 44 -1.820 0.650 -8.147 365 1HG2 ILE 44 1HG2 ILE 44 -3.708 -0.777 -9.787 366 2HG2 ILE 44 2HG2 ILE 44 -2.944 -2.216 -10.461 367 3HG2 ILE 44 3HG2 ILE 44 -2.227 -0.628 -10.733 368 1HD1 ILE 44 1HD1 ILE 44 -4.278 -0.896 -7.917 369 2HD1 ILE 44 2HD1 ILE 44 -4.037 0.841 -8.099 370 3HD1 ILE 44 3HD1 ILE 44 -3.919 0.096 -6.505 371 H PHE 45 H PHE 45 -3.349 -4.857 -8.974 372 HA PHE 45 HA PHE 45 -0.920 -5.844 -10.318 373 1HB PHE 45 1HB PHE 45 -1.719 -7.248 -8.423 374 2HB PHE 45 2HB PHE 45 -3.244 -7.476 -9.275 375 HD1 PHE 45 HD1 PHE 45 0.319 -7.592 -10.389 376 HD2 PHE 45 HD2 PHE 45 -3.397 -9.648 -10.004 377 HE1 PHE 45 HE1 PHE 45 1.275 -9.532 -11.572 378 HE2 PHE 45 HE2 PHE 45 -2.448 -11.593 -11.185 379 HZ PHE 45 HZ PHE 45 -0.110 -11.536 -11.970 380 H ALA 46 H ALA 46 -0.981 -5.954 -12.459 381 HA ALA 46 HA ALA 46 -1.739 -5.867 -14.605 382 1HB ALA 46 1HB ALA 46 -3.346 -7.858 -13.226 383 2HB ALA 46 2HB ALA 46 -2.590 -7.919 -14.818 384 3HB ALA 46 3HB ALA 46 -4.172 -7.166 -14.620 385 H GLY 47 H GLY 47 -2.378 -3.627 -12.991 386 1HA GLY 47 1HA GLY 47 -3.569 -1.673 -13.248 387 2HA GLY 47 2HA GLY 47 -4.370 -2.410 -14.628 388 H LYS 48 H LYS 48 -4.631 -4.359 -11.905 389 HA LYS 48 HA LYS 48 -7.305 -3.267 -11.319 390 1HB LYS 48 1HB LYS 48 -6.739 -5.738 -12.367 391 2HB LYS 48 2HB LYS 48 -6.851 -6.088 -10.647 392 1HG LYS 48 1HG LYS 48 -9.030 -4.409 -11.360 393 2HG LYS 48 2HG LYS 48 -8.942 -5.740 -12.515 394 1HD LYS 48 1HD LYS 48 -8.490 -6.845 -9.960 395 2HD LYS 48 2HD LYS 48 -9.871 -5.756 -9.807 396 1HE LYS 48 1HE LYS 48 -9.584 -7.942 -11.867 397 2HE LYS 48 2HE LYS 48 -10.544 -8.050 -10.392 398 1HZ LYS 48 1HZ LYS 48 -12.156 -7.383 -11.803 399 2HZ LYS 48 2HZ LYS 48 -11.090 -6.604 -12.860 400 3HZ LYS 48 3HZ LYS 48 -11.559 -5.845 -11.424 401 H GLN 49 H GLN 49 -7.161 -2.203 -9.449 402 HA GLN 49 HA GLN 49 -5.278 -2.754 -7.419 403 1HB GLN 49 1HB GLN 49 -6.312 -0.545 -7.719 404 2HB GLN 49 2HB GLN 49 -7.873 -1.211 -7.254 405 1HG GLN 49 1HG GLN 49 -5.765 -1.690 -5.296 406 2HG GLN 49 2HG GLN 49 -6.100 0.017 -5.582 407 1HE2 GLN 49 1HE2 GLN 49 -6.589 -1.032 -3.138 408 2HE2 GLN 49 2HE2 GLN 49 -8.290 -1.147 -2.861 409 H LEU 50 H LEU 50 -5.341 -4.043 -5.674 410 HA LEU 50 HA LEU 50 -7.288 -6.102 -5.515 411 1HB LEU 50 1HB LEU 50 -5.233 -5.287 -3.460 412 2HB LEU 50 2HB LEU 50 -6.094 -6.814 -3.510 413 HG LEU 50 HG LEU 50 -3.816 -5.871 -5.173 414 1HD1 LEU 50 1HD1 LEU 50 -3.692 -8.584 -4.923 415 2HD1 LEU 50 2HD1 LEU 50 -4.513 -8.114 -3.434 416 3HD1 LEU 50 3HD1 LEU 50 -2.937 -7.425 -3.827 417 1HD2 LEU 50 1HD2 LEU 50 -5.881 -7.848 -6.130 418 2HD2 LEU 50 2HD2 LEU 50 -4.319 -7.549 -6.891 419 3HD2 LEU 50 3HD2 LEU 50 -5.536 -6.272 -6.843 420 H GLU 51 H GLU 51 -9.080 -6.300 -4.293 421 HA GLU 51 HA GLU 51 -9.850 -3.981 -2.670 422 1HB GLU 51 1HB GLU 51 -11.472 -6.178 -3.952 423 2HB GLU 51 2HB GLU 51 -12.157 -5.010 -2.830 424 1HG GLU 51 1HG GLU 51 -12.386 -3.509 -4.436 425 2HG GLU 51 2HG GLU 51 -10.688 -3.658 -4.890 426 H ASP 52 H ASP 52 -9.648 -4.138 -0.546 427 HA ASP 52 HA ASP 52 -8.813 -6.299 0.902 428 1HB ASP 52 1HB ASP 52 -9.519 -3.720 1.507 429 2HB ASP 52 2HB ASP 52 -10.741 -4.644 2.374 430 H GLY 53 H GLY 53 -9.748 -7.962 2.054 431 1HA GLY 53 1HA GLY 53 -11.532 -9.241 2.908 432 2HA GLY 53 2HA GLY 53 -12.648 -8.291 1.939 433 H ARG 54 H ARG 54 -10.562 -8.784 -0.326 434 HA ARG 54 HA ARG 54 -11.862 -11.219 -1.263 435 1HB ARG 54 1HB ARG 54 -9.994 -9.385 -2.770 436 2HB ARG 54 2HB ARG 54 -11.033 -10.627 -3.454 437 1HG ARG 54 1HG ARG 54 -12.191 -8.344 -1.905 438 2HG ARG 54 2HG ARG 54 -11.767 -8.169 -3.609 439 1HD ARG 54 1HD ARG 54 -13.663 -9.157 -4.199 440 2HD ARG 54 2HD ARG 54 -13.209 -10.598 -3.291 441 HE ARG 54 HE ARG 54 -14.188 -8.752 -1.462 442 1HH1 ARG 54 1HH1 ARG 54 -16.978 -10.640 -3.624 443 2HH1 ARG 54 2HH1 ARG 54 -15.348 -10.558 -4.203 444 1HH2 ARG 54 1HH2 ARG 54 -16.332 -8.854 -0.689 445 2HH2 ARG 54 2HH2 ARG 54 -17.537 -9.670 -1.626 446 H THR 55 H THR 55 -10.477 -12.761 -2.558 447 HA THR 55 HA THR 55 -8.026 -13.316 -1.033 448 HB THR 55 HB THR 55 -8.300 -15.645 -1.740 449 HG1 THR 55 HG1 THR 55 -9.815 -16.252 -3.124 450 1HG2 THR 55 1HG2 THR 55 -9.420 -15.154 0.299 451 2HG2 THR 55 2HG2 THR 55 -10.482 -16.175 -0.670 452 3HG2 THR 55 3HG2 THR 55 -10.787 -14.442 -0.559 453 H LEU 56 H LEU 56 -6.153 -14.075 -2.134 454 HA LEU 56 HA LEU 56 -5.498 -12.629 -4.445 455 1HB LEU 56 1HB LEU 56 -4.138 -15.084 -3.334 456 2HB LEU 56 2HB LEU 56 -3.438 -13.955 -4.477 457 HG LEU 56 HG LEU 56 -4.292 -13.183 -1.690 458 1HD1 LEU 56 1HD1 LEU 56 -1.439 -13.259 -2.210 459 2HD1 LEU 56 2HD1 LEU 56 -2.187 -14.851 -2.329 460 3HD1 LEU 56 3HD1 LEU 56 -2.361 -13.904 -0.851 461 1HD2 LEU 56 1HD2 LEU 56 -2.224 -11.657 -3.081 462 2HD2 LEU 56 2HD2 LEU 56 -3.637 -11.101 -2.184 463 3HD2 LEU 56 3HD2 LEU 56 -3.803 -11.603 -3.866 464 H SER 57 H SER 57 -6.560 -15.961 -3.996 465 HA SER 57 HA SER 57 -6.077 -16.906 -6.584 466 1HB SER 57 1HB SER 57 -6.627 -18.432 -4.780 467 2HB SER 57 2HB SER 57 -8.222 -17.700 -4.601 468 HG SER 57 HG SER 57 -8.013 -18.399 -7.120 469 H ASP 58 H ASP 58 -8.488 -14.763 -5.370 470 HA ASP 58 HA ASP 58 -10.417 -15.133 -7.430 471 1HB ASP 58 1HB ASP 58 -9.952 -12.770 -5.598 472 2HB ASP 58 2HB ASP 58 -11.376 -13.008 -6.606 473 H TYR 59 H TYR 59 -7.566 -13.140 -7.065 474 HA TYR 59 HA TYR 59 -8.134 -11.773 -9.592 475 1HB TYR 59 1HB TYR 59 -5.910 -11.285 -7.599 476 2HB TYR 59 2HB TYR 59 -6.277 -10.293 -9.006 477 HD1 TYR 59 HD1 TYR 59 -6.667 -10.533 -5.556 478 HD2 TYR 59 HD2 TYR 59 -8.841 -9.473 -9.068 479 HE1 TYR 59 HE1 TYR 59 -8.203 -9.175 -4.189 480 HE2 TYR 59 HE2 TYR 59 -10.381 -8.112 -7.710 481 HH TYR 59 HH TYR 59 -10.983 -7.511 -5.647 482 H ASN 60 H ASN 60 -7.458 -14.578 -9.564 483 HA ASN 60 HA ASN 60 -5.972 -16.099 -10.428 484 1HB ASN 60 1HB ASN 60 -5.397 -15.650 -12.705 485 2HB ASN 60 2HB ASN 60 -6.957 -14.890 -12.408 486 1HD2 ASN 60 1HD2 ASN 60 -7.030 -12.612 -12.120 487 2HD2 ASN 60 2HD2 ASN 60 -5.803 -11.603 -12.797 488 H LEU 61 H LEU 61 -4.647 -15.376 -8.394 489 HA LEU 61 HA LEU 61 -2.139 -14.081 -9.109 490 1HB LEU 61 1HB LEU 61 -3.528 -14.787 -6.589 491 2HB LEU 61 2HB LEU 61 -1.775 -14.790 -6.543 492 HG LEU 61 HG LEU 61 -3.167 -12.627 -5.944 493 1HD1 LEU 61 1HD1 LEU 61 -0.590 -13.114 -6.298 494 2HD1 LEU 61 2HD1 LEU 61 -1.208 -11.476 -6.085 495 3HD1 LEU 61 3HD1 LEU 61 -0.841 -12.076 -7.703 496 1HD2 LEU 61 1HD2 LEU 61 -4.044 -12.878 -8.469 497 2HD2 LEU 61 2HD2 LEU 61 -2.634 -11.855 -8.741 498 3HD2 LEU 61 3HD2 LEU 61 -3.905 -11.329 -7.637 499 H GLN 62 H GLN 62 -0.629 -15.295 -10.034 500 HA GLN 62 HA GLN 62 -0.440 -18.135 -9.342 501 1HB GLN 62 1HB GLN 62 1.054 -16.701 -11.534 502 2HB GLN 62 2HB GLN 62 0.797 -18.431 -11.358 503 1HG GLN 62 1HG GLN 62 -1.757 -17.314 -11.436 504 2HG GLN 62 2HG GLN 62 -0.830 -16.458 -12.668 505 1HE2 GLN 62 1HE2 GLN 62 -2.751 -17.805 -13.708 506 2HE2 GLN 62 2HE2 GLN 62 -2.246 -19.308 -14.397 507 H LYS 63 H LYS 63 2.055 -18.847 -9.692 508 HA LYS 63 HA LYS 63 3.413 -17.710 -7.432 509 1HB LYS 63 1HB LYS 63 3.394 -20.187 -8.592 510 2HB LYS 63 2HB LYS 63 4.932 -19.547 -9.155 511 1HG LYS 63 1HG LYS 63 4.966 -18.897 -6.497 512 2HG LYS 63 2HG LYS 63 4.135 -20.454 -6.503 513 1HD LYS 63 1HD LYS 63 6.196 -20.909 -8.236 514 2HD LYS 63 2HD LYS 63 6.937 -19.809 -7.070 515 1HE LYS 63 1HE LYS 63 5.568 -21.548 -5.455 516 2HE LYS 63 2HE LYS 63 6.105 -22.596 -6.766 517 1HZ LYS 63 1HZ LYS 63 8.303 -22.232 -6.277 518 2HZ LYS 63 2HZ LYS 63 7.628 -22.185 -4.727 519 3HZ LYS 63 3HZ LYS 63 8.020 -20.744 -5.522 520 H GLU 64 H GLU 64 5.122 -16.355 -7.391 521 HA GLU 64 HA GLU 64 6.817 -14.996 -8.101 522 1HB GLU 64 1HB GLU 64 6.511 -16.165 -10.862 523 2HB GLU 64 2HB GLU 64 7.925 -15.382 -10.171 524 1HG GLU 64 1HG GLU 64 8.576 -17.235 -9.041 525 2HG GLU 64 2HG GLU 64 6.925 -17.811 -8.811 526 H SER 65 H SER 65 4.167 -14.119 -8.022 527 HA SER 65 HA SER 65 3.611 -12.618 -10.428 528 1HB SER 65 1HB SER 65 2.266 -12.555 -7.715 529 2HB SER 65 2HB SER 65 1.671 -11.756 -9.170 530 HG SER 65 HG SER 65 1.676 -14.454 -8.487 531 H THR 66 H THR 66 3.162 -10.237 -10.252 532 HA THR 66 HA THR 66 5.101 -8.924 -8.465 533 HB THR 66 HB THR 66 4.543 -8.190 -11.347 534 HG1 THR 66 HG1 THR 66 6.468 -9.779 -10.133 535 1HG2 THR 66 1HG2 THR 66 5.900 -6.407 -11.172 536 2HG2 THR 66 2HG2 THR 66 6.923 -7.165 -9.952 537 3HG2 THR 66 3HG2 THR 66 5.376 -6.455 -9.490 538 H ILE 67 H ILE 67 4.117 -7.566 -7.136 539 HA ILE 67 HA ILE 67 1.621 -6.277 -8.029 540 HB ILE 67 HB ILE 67 2.516 -7.064 -5.259 541 1HG1 ILE 67 1HG1 ILE 67 0.280 -8.252 -5.318 542 2HG1 ILE 67 2HG1 ILE 67 0.204 -7.860 -7.034 543 1HG2 ILE 67 1HG2 ILE 67 1.543 -4.853 -5.123 544 2HG2 ILE 67 2HG2 ILE 67 0.430 -6.042 -4.447 545 3HG2 ILE 67 3HG2 ILE 67 0.145 -5.383 -6.058 546 1HD1 ILE 67 1HD1 ILE 67 1.342 -10.105 -5.886 547 2HD1 ILE 67 2HD1 ILE 67 2.716 -9.102 -6.354 548 3HD1 ILE 67 3HD1 ILE 67 1.511 -9.565 -7.557 549 H HIS 68 H HIS 68 1.604 -4.134 -8.214 550 HA HIS 68 HA HIS 68 3.958 -2.633 -7.395 551 1HB HIS 68 1HB HIS 68 1.543 -1.648 -8.922 552 2HB HIS 68 2HB HIS 68 3.110 -0.855 -8.787 553 HD1 HIS 68 HD1 HIS 68 3.547 -0.868 -11.307 554 HD2 HIS 68 HD2 HIS 68 2.913 -4.649 -9.707 555 HE1 HIS 68 HE1 HIS 68 4.216 -2.483 -13.114 556 HE2 HIS 68 HE2 HIS 68 3.918 -4.764 -12.088 557 H LEU 69 H LEU 69 4.006 -1.819 -5.411 558 HA LEU 69 HA LEU 69 1.510 -1.107 -4.071 559 1HB LEU 69 1HB LEU 69 3.154 -2.524 -2.895 560 2HB LEU 69 2HB LEU 69 4.327 -1.225 -2.995 561 HG LEU 69 HG LEU 69 1.689 -0.825 -1.614 562 1HD1 LEU 69 1HD1 LEU 69 2.261 -2.298 -0.054 563 2HD1 LEU 69 2HD1 LEU 69 3.609 -1.235 0.353 564 3HD1 LEU 69 3HD1 LEU 69 3.843 -2.559 -0.788 565 1HD2 LEU 69 1HD2 LEU 69 2.495 1.201 -1.224 566 2HD2 LEU 69 2HD2 LEU 69 3.910 0.808 -2.200 567 3HD2 LEU 69 3HD2 LEU 69 3.930 0.513 -0.462 568 H VAL 70 H VAL 70 0.802 0.906 -4.224 569 HA VAL 70 HA VAL 70 2.738 3.068 -4.680 570 HB VAL 70 HB VAL 70 0.008 3.949 -4.890 571 1HG1 VAL 70 1HG1 VAL 70 2.524 4.086 -6.337 572 2HG1 VAL 70 2HG1 VAL 70 1.234 5.280 -6.193 573 3HG1 VAL 70 3HG1 VAL 70 1.126 4.007 -7.409 574 1HG2 VAL 70 1HG2 VAL 70 -0.673 1.745 -5.438 575 2HG2 VAL 70 2HG2 VAL 70 0.732 1.494 -6.476 576 3HG2 VAL 70 3HG2 VAL 70 -0.535 2.620 -6.964 577 H LEU 71 H LEU 71 2.806 4.870 -3.385 578 HA LEU 71 HA LEU 71 1.972 4.530 -0.678 579 1HB LEU 71 1HB LEU 71 4.046 5.748 -1.540 580 2HB LEU 71 2HB LEU 71 2.976 7.087 -1.908 581 HG LEU 71 HG LEU 71 4.321 6.947 0.373 582 1HD1 LEU 71 1HD1 LEU 71 1.456 7.846 0.424 583 2HD1 LEU 71 2HD1 LEU 71 2.701 8.702 -0.485 584 3HD1 LEU 71 3HD1 LEU 71 2.841 8.540 1.265 585 1HD2 LEU 71 1HD2 LEU 71 1.754 5.495 0.999 586 2HD2 LEU 71 2HD2 LEU 71 2.930 6.078 2.176 587 3HD2 LEU 71 3HD2 LEU 71 3.373 4.800 1.046 588 H ARG 72 H ARG 72 -0.362 4.276 -1.525 589 HA ARG 72 HA ARG 72 -2.476 5.108 -1.872 590 1HB ARG 72 1HB ARG 72 -2.197 5.318 0.544 591 2HB ARG 72 2HB ARG 72 -1.470 6.905 0.341 592 1HG ARG 72 1HG ARG 72 -3.457 7.927 0.008 593 2HG ARG 72 2HG ARG 72 -4.162 6.534 -0.815 594 1HD ARG 72 1HD ARG 72 -5.148 5.863 1.059 595 2HD ARG 72 2HD ARG 72 -3.610 5.876 1.921 596 HE ARG 72 HE ARG 72 -4.563 8.510 1.683 597 1HH1 ARG 72 1HH1 ARG 72 -6.002 6.311 4.703 598 2HH1 ARG 72 2HH1 ARG 72 -5.277 5.531 3.337 599 1HH2 ARG 72 1HH2 ARG 72 -5.514 9.549 3.476 600 2HH2 ARG 72 2HH2 ARG 72 -6.138 8.596 4.781 601 H LEU 73 H LEU 73 -2.585 5.998 -3.885 602 HA LEU 73 HA LEU 73 -1.581 8.671 -4.374 603 1HB LEU 73 1HB LEU 73 -2.945 6.611 -6.089 604 2HB LEU 73 2HB LEU 73 -2.643 8.239 -6.666 605 HG LEU 73 HG LEU 73 -0.499 6.333 -5.723 606 1HD1 LEU 73 1HD1 LEU 73 -1.864 6.622 -8.279 607 2HD1 LEU 73 2HD1 LEU 73 -0.815 5.332 -7.691 608 3HD1 LEU 73 3HD1 LEU 73 -0.112 6.785 -8.402 609 1HD2 LEU 73 1HD2 LEU 73 0.742 8.170 -7.246 610 2HD2 LEU 73 2HD2 LEU 73 0.585 8.295 -5.494 611 3HD2 LEU 73 3HD2 LEU 73 -0.537 9.161 -6.545 612 H ARG 74 H ARG 74 -3.273 9.934 -5.937 613 HA ARG 74 HA ARG 74 -5.779 10.143 -4.400 614 1HB ARG 74 1HB ARG 74 -3.738 12.106 -4.821 615 2HB ARG 74 2HB ARG 74 -5.206 12.636 -5.630 616 1HG ARG 74 1HG ARG 74 -5.211 11.700 -2.780 617 2HG ARG 74 2HG ARG 74 -4.870 13.374 -3.225 618 1HD ARG 74 1HD ARG 74 -7.014 13.718 -4.064 619 2HD ARG 74 2HD ARG 74 -7.323 11.991 -4.243 620 HE ARG 74 HE ARG 74 -6.938 12.770 -1.517 621 1HH1 ARG 74 1HH1 ARG 74 -10.625 12.534 -3.059 622 2HH1 ARG 74 2HH1 ARG 74 -9.252 12.601 -4.113 623 1HH2 ARG 74 1HH2 ARG 74 -8.738 12.683 -0.118 624 2HH2 ARG 74 2HH2 ARG 74 -10.333 12.582 -0.787 625 H GLY 75 H GLY 75 -6.509 8.609 -6.103 626 1HA GLY 75 1HA GLY 75 -8.076 8.424 -7.819 627 2HA GLY 75 2HA GLY 75 -7.780 10.105 -8.236 628 H GLY 76 H GLY 76 -7.154 6.861 -9.019 629 1HA GLY 76 1HA GLY 76 -5.838 5.850 -10.613 630 2HA GLY 76 2HA GLY 76 -6.140 7.318 -11.530 Start of MODEL 5 1 1H MET 1 1H MET 1 4.127 -21.001 -2.658 2 2H MET 1 2H MET 1 2.474 -21.462 -2.649 3 3H MET 1 3H MET 1 3.058 -20.333 -1.495 4 HA MET 1 HA MET 1 3.150 -19.863 -4.390 5 1HB MET 1 1HB MET 1 0.860 -20.087 -4.038 6 2HB MET 1 2HB MET 1 0.953 -19.494 -2.385 7 1HG MET 1 1HG MET 1 1.179 -17.252 -3.106 8 2HG MET 1 2HG MET 1 1.439 -17.747 -4.777 9 1HE MET 1 1HE MET 1 -1.154 -15.502 -4.477 10 2HE MET 1 2HE MET 1 -1.694 -16.414 -5.886 11 3HE MET 1 3HE MET 1 0.030 -16.163 -5.605 12 H GLN 2 H GLN 2 4.774 -18.448 -4.572 13 HA GLN 2 HA GLN 2 5.182 -16.453 -2.464 14 1HB GLN 2 1HB GLN 2 7.184 -17.639 -2.993 15 2HB GLN 2 2HB GLN 2 6.934 -17.422 -4.720 16 1HG GLN 2 1HG GLN 2 7.742 -15.307 -4.718 17 2HG GLN 2 2HG GLN 2 7.178 -14.974 -3.081 18 1HE2 GLN 2 1HE2 GLN 2 8.313 -16.576 -1.449 19 2HE2 GLN 2 2HE2 GLN 2 10.036 -16.592 -1.573 20 H LEU 3 H LEU 3 5.442 -14.233 -2.973 21 HA LEU 3 HA LEU 3 4.547 -13.378 -5.625 22 1HB LEU 3 1HB LEU 3 3.371 -12.155 -3.143 23 2HB LEU 3 2HB LEU 3 2.849 -11.952 -4.803 24 HG LEU 3 HG LEU 3 2.712 -14.680 -3.612 25 1HD1 LEU 3 1HD1 LEU 3 0.542 -12.652 -3.158 26 2HD1 LEU 3 2HD1 LEU 3 1.767 -13.025 -1.947 27 3HD1 LEU 3 3HD1 LEU 3 0.668 -14.286 -2.507 28 1HD2 LEU 3 1HD2 LEU 3 1.829 -13.357 -5.967 29 2HD2 LEU 3 2HD2 LEU 3 0.410 -13.881 -5.060 30 3HD2 LEU 3 3HD2 LEU 3 1.644 -15.054 -5.520 31 H PHE 4 H PHE 4 5.278 -11.351 -6.254 32 HA PHE 4 HA PHE 4 7.279 -10.142 -4.462 33 1HB PHE 4 1HB PHE 4 7.223 -10.328 -7.477 34 2HB PHE 4 2HB PHE 4 8.354 -9.313 -6.588 35 HD1 PHE 4 HD1 PHE 4 7.211 -12.840 -6.912 36 HD2 PHE 4 HD2 PHE 4 10.378 -10.183 -5.863 37 HE1 PHE 4 HE1 PHE 4 8.740 -14.761 -6.676 38 HE2 PHE 4 HE2 PHE 4 11.911 -12.098 -5.626 39 HZ PHE 4 HZ PHE 4 11.093 -14.389 -6.034 40 H VAL 5 H VAL 5 6.992 -8.092 -3.866 41 HA VAL 5 HA VAL 5 5.071 -6.454 -5.388 42 HB VAL 5 HB VAL 5 5.485 -6.386 -2.396 43 1HG1 VAL 5 1HG1 VAL 5 4.863 -4.225 -3.255 44 2HG1 VAL 5 2HG1 VAL 5 3.474 -4.938 -2.435 45 3HG1 VAL 5 3HG1 VAL 5 3.551 -4.934 -4.197 46 1HG2 VAL 5 1HG2 VAL 5 3.877 -7.911 -2.142 47 2HG2 VAL 5 2HG2 VAL 5 4.075 -8.271 -3.858 48 3HG2 VAL 5 3HG2 VAL 5 2.841 -7.126 -3.334 49 H LYS 6 H LYS 6 6.076 -4.814 -6.334 50 HA LYS 6 HA LYS 6 8.524 -3.741 -5.131 51 1HB LYS 6 1HB LYS 6 9.175 -3.033 -7.241 52 2HB LYS 6 2HB LYS 6 8.302 -4.514 -7.605 53 1HG LYS 6 1HG LYS 6 7.087 -3.350 -9.041 54 2HG LYS 6 2HG LYS 6 6.370 -2.511 -7.664 55 1HD LYS 6 1HD LYS 6 7.158 -0.737 -8.898 56 2HD LYS 6 2HD LYS 6 8.528 -1.035 -7.826 57 1HE LYS 6 1HE LYS 6 9.131 -2.693 -9.871 58 2HE LYS 6 2HE LYS 6 8.270 -1.421 -10.738 59 1HZ LYS 6 1HZ LYS 6 9.779 0.205 -9.824 60 2HZ LYS 6 2HZ LYS 6 10.663 -1.006 -10.608 61 3HZ LYS 6 3HZ LYS 6 10.577 -0.981 -8.919 62 H THR 7 H THR 7 8.836 -1.464 -4.938 63 HA THR 7 HA THR 7 6.308 0.003 -4.579 64 HB THR 7 HB THR 7 7.724 1.467 -3.045 65 HG1 THR 7 HG1 THR 7 9.774 0.954 -3.440 66 1HG2 THR 7 1HG2 THR 7 6.660 0.322 -1.488 67 2HG2 THR 7 2HG2 THR 7 7.985 -0.841 -1.496 68 3HG2 THR 7 3HG2 THR 7 6.577 -1.102 -2.525 69 H LEU 8 H LEU 8 7.024 2.545 -4.479 70 HA LEU 8 HA LEU 8 7.808 3.110 -7.213 71 1HB LEU 8 1HB LEU 8 6.094 4.302 -5.314 72 2HB LEU 8 2HB LEU 8 7.360 5.469 -5.640 73 HG LEU 8 HG LEU 8 5.480 4.224 -7.643 74 1HD1 LEU 8 1HD1 LEU 8 5.610 7.075 -7.668 75 2HD1 LEU 8 2HD1 LEU 8 5.302 6.520 -6.023 76 3HD1 LEU 8 3HD1 LEU 8 4.231 6.028 -7.333 77 1HD2 LEU 8 1HD2 LEU 8 8.091 4.899 -8.143 78 2HD2 LEU 8 2HD2 LEU 8 7.216 6.369 -8.575 79 3HD2 LEU 8 3HD2 LEU 8 6.796 4.834 -9.338 80 H THR 9 H THR 9 9.676 2.316 -4.874 81 HA THR 9 HA THR 9 11.640 4.455 -5.365 82 HB THR 9 HB THR 9 12.545 3.660 -3.032 83 HG1 THR 9 HG1 THR 9 10.923 2.947 -1.671 84 1HG2 THR 9 1HG2 THR 9 10.454 5.147 -2.066 85 2HG2 THR 9 2HG2 THR 9 10.577 5.669 -3.746 86 3HG2 THR 9 3HG2 THR 9 11.980 5.776 -2.684 87 H GLY 10 H GLY 10 10.975 1.573 -6.374 88 1HA GLY 10 1HA GLY 10 12.367 0.068 -7.476 89 2HA GLY 10 2HA GLY 10 13.753 0.830 -6.710 90 H LYS 11 H LYS 11 11.943 0.414 -4.147 91 HA LYS 11 HA LYS 11 13.329 -1.927 -3.281 92 1HB LYS 11 1HB LYS 11 12.054 0.227 -2.044 93 2HB LYS 11 2HB LYS 11 11.097 -1.176 -1.588 94 1HG LYS 11 1HG LYS 11 13.765 -1.951 -1.271 95 2HG LYS 11 2HG LYS 11 13.654 -0.316 -0.613 96 1HD LYS 11 1HD LYS 11 12.479 -1.005 1.158 97 2HD LYS 11 2HD LYS 11 11.403 -1.987 0.161 98 1HE LYS 11 1HE LYS 11 12.394 -3.676 1.297 99 2HE LYS 11 2HE LYS 11 13.606 -3.497 0.031 100 1HZ LYS 11 1HZ LYS 11 13.762 -2.103 2.643 101 2HZ LYS 11 2HZ LYS 11 14.971 -2.223 1.468 102 3HZ LYS 11 3HZ LYS 11 14.502 -3.595 2.338 103 H THR 12 H THR 12 12.719 -3.985 -3.420 104 HA THR 12 HA THR 12 9.876 -4.573 -3.919 105 HB THR 12 HB THR 12 12.104 -6.253 -5.043 106 HG1 THR 12 HG1 THR 12 12.161 -5.021 -6.827 107 1HG2 THR 12 1HG2 THR 12 9.242 -6.315 -5.178 108 2HG2 THR 12 2HG2 THR 12 10.422 -7.477 -5.783 109 3HG2 THR 12 3HG2 THR 12 9.931 -6.114 -6.788 110 H LEU 13 H LEU 13 8.969 -6.020 -2.598 111 HA LEU 13 HA LEU 13 10.742 -7.523 -0.791 112 1HB LEU 13 1HB LEU 13 9.097 -7.416 0.873 113 2HB LEU 13 2HB LEU 13 9.118 -5.814 0.162 114 HG LEU 13 HG LEU 13 7.167 -6.855 -1.321 115 1HD1 LEU 13 1HD1 LEU 13 6.925 -9.009 -0.586 116 2HD1 LEU 13 2HD1 LEU 13 5.776 -8.183 0.467 117 3HD1 LEU 13 3HD1 LEU 13 7.377 -8.612 1.072 118 1HD2 LEU 13 1HD2 LEU 13 5.585 -5.826 0.180 119 2HD2 LEU 13 2HD2 LEU 13 7.057 -4.857 0.123 120 3HD2 LEU 13 3HD2 LEU 13 6.744 -5.904 1.507 121 H THR 14 H THR 14 9.699 -9.601 0.042 122 HA THR 14 HA THR 14 8.157 -10.942 -2.066 123 HB THR 14 HB THR 14 10.727 -11.915 -0.819 124 HG1 THR 14 HG1 THR 14 10.149 -11.972 -3.548 125 1HG2 THR 14 1HG2 THR 14 8.586 -13.562 -1.382 126 2HG2 THR 14 2HG2 THR 14 10.277 -14.041 -1.240 127 3HG2 THR 14 3HG2 THR 14 9.597 -13.664 -2.823 128 H VAL 15 H VAL 15 6.422 -11.899 -1.261 129 HA VAL 15 HA VAL 15 6.437 -12.681 1.581 130 HB VAL 15 HB VAL 15 3.833 -12.557 1.165 131 1HG1 VAL 15 1HG1 VAL 15 5.218 -11.235 2.774 132 2HG1 VAL 15 2HG1 VAL 15 3.816 -10.377 2.138 133 3HG1 VAL 15 3HG1 VAL 15 5.426 -10.024 1.510 134 1HG2 VAL 15 1HG2 VAL 15 3.072 -11.269 -0.540 135 2HG2 VAL 15 2HG2 VAL 15 4.551 -11.846 -1.310 136 3HG2 VAL 15 3HG2 VAL 15 4.512 -10.250 -0.559 137 H GLU 16 H GLU 16 5.283 -14.599 2.164 138 HA GLU 16 HA GLU 16 4.801 -16.451 -0.072 139 1HB GLU 16 1HB GLU 16 5.844 -17.568 2.474 140 2HB GLU 16 2HB GLU 16 6.101 -18.107 0.821 141 1HG GLU 16 1HG GLU 16 7.470 -15.885 0.632 142 2HG GLU 16 2HG GLU 16 7.551 -16.035 2.387 143 H LEU 17 H LEU 17 2.665 -16.745 -0.065 144 HA LEU 17 HA LEU 17 1.427 -17.828 2.329 145 1HB LEU 17 1HB LEU 17 -0.236 -15.785 1.012 146 2HB LEU 17 2HB LEU 17 -0.108 -16.210 2.707 147 HG LEU 17 HG LEU 17 2.066 -14.963 2.782 148 1HD1 LEU 17 1HD1 LEU 17 1.399 -14.655 -0.066 149 2HD1 LEU 17 2HD1 LEU 17 2.965 -14.660 0.743 150 3HD1 LEU 17 3HD1 LEU 17 1.975 -13.200 0.748 151 1HD2 LEU 17 1HD2 LEU 17 -0.428 -14.065 3.148 152 2HD2 LEU 17 2HD2 LEU 17 0.079 -12.987 1.847 153 3HD2 LEU 17 3HD2 LEU 17 1.000 -13.051 3.350 154 H GLU 18 H GLU 18 -0.876 -18.548 1.828 155 HA GLU 18 HA GLU 18 -0.819 -19.917 -0.743 156 1HB GLU 18 1HB GLU 18 -2.815 -20.240 1.500 157 2HB GLU 18 2HB GLU 18 -2.553 -21.331 0.147 158 1HG GLU 18 1HG GLU 18 -0.215 -20.792 1.860 159 2HG GLU 18 2HG GLU 18 -1.528 -21.718 2.588 160 HA PRO 19 HA PRO 19 -3.647 -17.455 -3.027 161 1HB PRO 19 1HB PRO 19 -5.216 -19.978 -3.338 162 2HB PRO 19 2HB PRO 19 -4.695 -18.821 -4.567 163 1HG PRO 19 1HG PRO 19 -3.426 -21.147 -4.250 164 2HG PRO 19 2HG PRO 19 -2.537 -19.663 -4.632 165 1HD PRO 19 1HD PRO 19 -2.719 -21.156 -2.070 166 2HD PRO 19 2HD PRO 19 -1.393 -20.170 -2.714 167 H SER 20 H SER 20 -4.735 -19.505 -0.437 168 HA SER 20 HA SER 20 -7.408 -18.584 -0.284 169 1HB SER 20 1HB SER 20 -7.545 -19.760 1.759 170 2HB SER 20 2HB SER 20 -6.375 -20.671 0.805 171 HG SER 20 HG SER 20 -5.878 -18.861 2.923 172 H ASP 21 H ASP 21 -4.392 -17.522 1.213 173 HA ASP 21 HA ASP 21 -5.185 -15.798 3.140 174 1HB ASP 21 1HB ASP 21 -3.030 -15.418 1.059 175 2HB ASP 21 2HB ASP 21 -3.236 -14.331 2.431 176 H THR 22 H THR 22 -5.544 -13.482 3.202 177 HA THR 22 HA THR 22 -7.004 -12.531 0.827 178 HB THR 22 HB THR 22 -8.523 -11.377 2.244 179 HG1 THR 22 HG1 THR 22 -8.002 -10.731 4.165 180 1HG2 THR 22 1HG2 THR 22 -8.589 -13.997 2.233 181 2HG2 THR 22 2HG2 THR 22 -9.650 -13.060 3.286 182 3HG2 THR 22 3HG2 THR 22 -8.183 -13.792 3.936 183 H VAL 23 H VAL 23 -7.170 -10.074 0.768 184 HA VAL 23 HA VAL 23 -4.704 -8.934 0.360 185 HB VAL 23 HB VAL 23 -7.217 -7.463 1.170 186 1HG1 VAL 23 1HG1 VAL 23 -4.573 -6.589 0.134 187 2HG1 VAL 23 2HG1 VAL 23 -5.654 -5.803 1.285 188 3HG1 VAL 23 3HG1 VAL 23 -6.012 -5.747 -0.441 189 1HG2 VAL 23 1HG2 VAL 23 -7.308 -9.071 -0.827 190 2HG2 VAL 23 2HG2 VAL 23 -6.254 -7.911 -1.636 191 3HG2 VAL 23 3HG2 VAL 23 -7.851 -7.411 -1.081 192 H GLU 24 H GLU 24 -6.501 -9.238 3.327 193 HA GLU 24 HA GLU 24 -5.143 -7.319 4.872 194 1HB GLU 24 1HB GLU 24 -6.955 -9.568 5.356 195 2HB GLU 24 2HB GLU 24 -5.814 -9.300 6.666 196 1HG GLU 24 1HG GLU 24 -6.720 -6.764 6.063 197 2HG GLU 24 2HG GLU 24 -8.153 -7.776 5.894 198 H ASN 25 H ASN 25 -4.542 -10.778 4.351 199 HA ASN 25 HA ASN 25 -2.338 -11.006 6.081 200 1HB ASN 25 1HB ASN 25 -2.893 -12.586 3.559 201 2HB ASN 25 2HB ASN 25 -1.817 -13.065 4.868 202 1HD2 ASN 25 1HD2 ASN 25 -2.705 -13.671 6.863 203 2HD2 ASN 25 2HD2 ASN 25 -4.353 -14.170 7.001 204 H LEU 26 H LEU 26 -2.456 -10.534 2.550 205 HA LEU 26 HA LEU 26 0.273 -10.334 2.084 206 1HB LEU 26 1HB LEU 26 -1.493 -10.445 0.336 207 2HB LEU 26 2HB LEU 26 -1.906 -8.778 0.687 208 HG LEU 26 HG LEU 26 0.236 -8.011 -0.104 209 1HD1 LEU 26 1HD1 LEU 26 1.581 -10.020 -1.288 210 2HD1 LEU 26 2HD1 LEU 26 0.917 -10.868 0.108 211 3HD1 LEU 26 3HD1 LEU 26 1.921 -9.438 0.342 212 1HD2 LEU 26 1HD2 LEU 26 -0.241 -8.188 -2.309 213 2HD2 LEU 26 2HD2 LEU 26 -1.724 -8.914 -1.687 214 3HD2 LEU 26 3HD2 LEU 26 -0.405 -9.943 -2.246 215 H LYS 27 H LYS 27 -2.046 -7.774 2.907 216 HA LYS 27 HA LYS 27 -0.195 -5.649 2.878 217 1HB LYS 27 1HB LYS 27 -2.899 -6.057 4.107 218 2HB LYS 27 2HB LYS 27 -1.967 -4.619 4.501 219 1HG LYS 27 1HG LYS 27 -1.868 -4.024 2.140 220 2HG LYS 27 2HG LYS 27 -2.786 -5.475 1.733 221 1HD LYS 27 1HD LYS 27 -4.623 -4.617 3.204 222 2HD LYS 27 2HD LYS 27 -3.718 -3.108 3.349 223 1HE LYS 27 1HE LYS 27 -4.138 -4.082 0.602 224 2HE LYS 27 2HE LYS 27 -5.594 -3.582 1.459 225 1HZ LYS 27 1HZ LYS 27 -4.694 -1.432 1.809 226 2HZ LYS 27 2HZ LYS 27 -4.471 -1.792 0.171 227 3HZ LYS 27 3HZ LYS 27 -3.167 -1.893 1.243 228 H ALA 28 H ALA 28 -1.509 -7.557 5.584 229 HA ALA 28 HA ALA 28 -0.298 -6.459 7.735 230 1HB ALA 28 1HB ALA 28 0.113 -9.104 8.278 231 2HB ALA 28 2HB ALA 28 -1.124 -9.176 7.024 232 3HB ALA 28 3HB ALA 28 -1.415 -8.250 8.496 233 H LYS 29 H LYS 29 1.229 -8.675 5.425 234 HA LYS 29 HA LYS 29 3.747 -8.762 6.714 235 1HB LYS 29 1HB LYS 29 2.728 -9.474 3.997 236 2HB LYS 29 2HB LYS 29 4.465 -9.377 4.248 237 1HG LYS 29 1HG LYS 29 4.389 -11.471 4.964 238 2HG LYS 29 2HG LYS 29 3.527 -10.884 6.388 239 1HD LYS 29 1HD LYS 29 1.403 -11.266 5.330 240 2HD LYS 29 2HD LYS 29 2.192 -11.680 3.805 241 1HE LYS 29 1HE LYS 29 2.319 -13.802 4.437 242 2HE LYS 29 2HE LYS 29 3.280 -13.334 5.839 243 1HZ LYS 29 1HZ LYS 29 0.337 -13.110 5.877 244 2HZ LYS 29 2HZ LYS 29 1.410 -13.213 7.181 245 3HZ LYS 29 3HZ LYS 29 1.101 -14.578 6.231 246 H ILE 30 H ILE 30 2.528 -6.857 3.970 247 HA ILE 30 HA ILE 30 4.881 -5.428 3.449 248 HB ILE 30 HB ILE 30 2.020 -4.541 3.049 249 1HG1 ILE 30 1HG1 ILE 30 3.988 -5.948 1.231 250 2HG1 ILE 30 2HG1 ILE 30 2.476 -6.598 1.857 251 1HG2 ILE 30 1HG2 ILE 30 3.008 -2.557 2.671 252 2HG2 ILE 30 2HG2 ILE 30 3.447 -3.285 1.126 253 3HG2 ILE 30 3HG2 ILE 30 4.604 -3.274 2.456 254 1HD1 ILE 30 1HD1 ILE 30 2.913 -5.225 -0.553 255 2HD1 ILE 30 2HD1 ILE 30 1.934 -4.171 0.467 256 3HD1 ILE 30 3HD1 ILE 30 1.386 -5.809 0.109 257 H GLN 31 H GLN 31 2.659 -5.213 6.039 258 HA GLN 31 HA GLN 31 3.414 -2.496 6.755 259 1HB GLN 31 1HB GLN 31 1.118 -3.020 7.139 260 2HB GLN 31 2HB GLN 31 1.529 -4.505 7.984 261 1HG GLN 31 1HG GLN 31 2.544 -3.169 9.785 262 2HG GLN 31 2HG GLN 31 2.043 -1.701 8.946 263 1HE2 GLN 31 1HE2 GLN 31 1.080 -1.574 11.237 264 2HE2 GLN 31 2HE2 GLN 31 -0.550 -2.126 11.387 265 H ASP 32 H ASP 32 4.021 -5.803 7.728 266 HA ASP 32 HA ASP 32 5.604 -4.967 10.018 267 1HB ASP 32 1HB ASP 32 4.174 -7.307 9.313 268 2HB ASP 32 2HB ASP 32 5.867 -7.751 9.492 269 H LYS 33 H LYS 33 6.058 -5.487 6.730 270 HA LYS 33 HA LYS 33 8.900 -6.147 7.073 271 1HB LYS 33 1HB LYS 33 6.909 -6.627 4.933 272 2HB LYS 33 2HB LYS 33 8.547 -6.268 4.404 273 1HG LYS 33 1HG LYS 33 9.246 -8.099 6.083 274 2HG LYS 33 2HG LYS 33 7.549 -8.583 6.008 275 1HD LYS 33 1HD LYS 33 7.677 -9.064 3.709 276 2HD LYS 33 2HD LYS 33 9.203 -8.196 3.530 277 1HE LYS 33 1HE LYS 33 9.756 -10.489 3.482 278 2HE LYS 33 2HE LYS 33 10.213 -9.914 5.084 279 1HZ LYS 33 1HZ LYS 33 8.331 -11.925 4.359 280 2HZ LYS 33 2HZ LYS 33 7.618 -10.752 5.348 281 3HZ LYS 33 3HZ LYS 33 8.997 -11.575 5.874 282 H GLU 34 H GLU 34 6.865 -4.070 5.001 283 HA GLU 34 HA GLU 34 9.116 -2.276 4.580 284 1HB GLU 34 1HB GLU 34 6.343 -1.835 3.517 285 2HB GLU 34 2HB GLU 34 7.878 -1.316 2.836 286 1HG GLU 34 1HG GLU 34 7.377 -4.229 3.080 287 2HG GLU 34 2HG GLU 34 6.509 -3.335 1.832 288 H GLY 35 H GLY 35 6.548 -2.587 6.742 289 1HA GLY 35 1HA GLY 35 5.952 -1.231 8.516 290 2HA GLY 35 2HA GLY 35 7.167 -0.077 7.984 291 H ILE 36 H ILE 36 4.675 -1.209 5.824 292 HA ILE 36 HA ILE 36 3.544 1.503 5.814 293 HB ILE 36 HB ILE 36 3.251 -0.644 3.712 294 1HG1 ILE 36 1HG1 ILE 36 5.016 1.813 3.670 295 2HG1 ILE 36 2HG1 ILE 36 5.595 0.183 4.000 296 1HG2 ILE 36 1HG2 ILE 36 1.439 1.057 3.844 297 2HG2 ILE 36 2HG2 ILE 36 2.327 1.074 2.321 298 3HG2 ILE 36 3HG2 ILE 36 2.650 2.304 3.544 299 1HD1 ILE 36 1HD1 ILE 36 4.107 0.149 1.577 300 2HD1 ILE 36 2HD1 ILE 36 5.817 -0.193 1.839 301 3HD1 ILE 36 3HD1 ILE 36 5.287 1.457 1.512 302 HA PRO 37 HA PRO 37 -0.157 -0.233 7.563 303 1HB PRO 37 1HB PRO 37 -1.624 2.004 7.621 304 2HB PRO 37 2HB PRO 37 -0.220 1.800 8.675 305 1HG PRO 37 1HG PRO 37 -0.464 3.326 6.111 306 2HG PRO 37 2HG PRO 37 0.368 3.781 7.608 307 1HD PRO 37 1HD PRO 37 1.621 2.731 5.390 308 2HD PRO 37 2HD PRO 37 2.260 2.629 7.042 309 HA PRO 38 HA PRO 38 -2.698 -1.399 4.135 310 1HB PRO 38 1HB PRO 38 -4.941 -1.254 6.080 311 2HB PRO 38 2HB PRO 38 -4.423 -2.599 5.057 312 1HG PRO 38 1HG PRO 38 -3.931 -2.606 7.678 313 2HG PRO 38 2HG PRO 38 -2.744 -3.239 6.522 314 1HD PRO 38 1HD PRO 38 -2.761 -0.638 7.994 315 2HD PRO 38 2HD PRO 38 -1.394 -1.697 7.588 316 H ASP 39 H ASP 39 -3.382 1.374 6.110 317 HA ASP 39 HA ASP 39 -5.510 2.397 4.484 318 1HB ASP 39 1HB ASP 39 -4.260 3.077 6.972 319 2HB ASP 39 2HB ASP 39 -4.299 4.506 5.943 320 H GLN 40 H GLN 40 -2.059 2.534 4.412 321 HA GLN 40 HA GLN 40 -2.177 4.562 2.280 322 1HB GLN 40 1HB GLN 40 0.202 3.826 3.992 323 2HB GLN 40 2HB GLN 40 0.129 5.119 2.803 324 1HG GLN 40 1HG GLN 40 -1.765 6.073 4.234 325 2HG GLN 40 2HG GLN 40 -1.206 4.956 5.478 326 1HE2 GLN 40 1HE2 GLN 40 0.342 5.634 6.785 327 2HE2 GLN 40 2HE2 GLN 40 1.372 6.994 6.514 328 H GLN 41 H GLN 41 -2.089 1.356 2.620 329 HA GLN 41 HA GLN 41 0.033 0.785 0.717 330 1HB GLN 41 1HB GLN 41 -1.583 -0.751 2.621 331 2HB GLN 41 2HB GLN 41 -1.316 -1.576 1.092 332 1HG GLN 41 1HG GLN 41 1.135 -1.113 1.395 333 2HG GLN 41 2HG GLN 41 0.747 -0.574 3.029 334 1HE2 GLN 41 1HE2 GLN 41 0.500 -2.044 4.594 335 2HE2 GLN 41 2HE2 GLN 41 0.548 -3.755 4.360 336 H ARG 42 H ARG 42 -0.413 1.217 -1.349 337 HA ARG 42 HA ARG 42 -3.102 0.611 -2.371 338 1HB ARG 42 1HB ARG 42 -1.882 2.939 -2.609 339 2HB ARG 42 2HB ARG 42 -1.080 2.141 -3.956 340 1HG ARG 42 1HG ARG 42 -2.916 2.189 -5.247 341 2HG ARG 42 2HG ARG 42 -4.002 1.847 -3.898 342 1HD ARG 42 1HD ARG 42 -3.711 4.189 -3.136 343 2HD ARG 42 2HD ARG 42 -2.746 4.502 -4.577 344 HE ARG 42 HE ARG 42 -4.988 3.588 -5.669 345 1HH1 ARG 42 1HH1 ARG 42 -5.945 6.782 -3.453 346 2HH1 ARG 42 2HH1 ARG 42 -4.504 5.889 -3.100 347 1HH2 ARG 42 1HH2 ARG 42 -6.888 4.758 -6.143 348 2HH2 ARG 42 2HH2 ARG 42 -7.301 6.139 -5.183 349 H LEU 43 H LEU 43 -3.033 -1.513 -2.917 350 HA LEU 43 HA LEU 43 -0.763 -2.564 -4.399 351 1HB LEU 43 1HB LEU 43 -3.290 -4.000 -3.601 352 2HB LEU 43 2HB LEU 43 -1.775 -4.723 -4.108 353 HG LEU 43 HG LEU 43 -2.197 -3.164 -1.555 354 1HD1 LEU 43 1HD1 LEU 43 -2.758 -5.877 -2.224 355 2HD1 LEU 43 2HD1 LEU 43 -2.936 -5.056 -0.673 356 3HD1 LEU 43 3HD1 LEU 43 -1.408 -5.832 -1.089 357 1HD2 LEU 43 1HD2 LEU 43 0.197 -4.804 -2.339 358 2HD2 LEU 43 2HD2 LEU 43 0.030 -3.686 -0.985 359 3HD2 LEU 43 3HD2 LEU 43 0.093 -3.069 -2.636 360 H ILE 44 H ILE 44 -0.681 -2.468 -6.529 361 HA ILE 44 HA ILE 44 -3.204 -2.544 -8.052 362 HB ILE 44 HB ILE 44 -0.724 -1.102 -8.971 363 1HG1 ILE 44 1HG1 ILE 44 -1.471 -0.025 -6.917 364 2HG1 ILE 44 2HG1 ILE 44 -1.862 0.993 -8.301 365 1HG2 ILE 44 1HG2 ILE 44 -3.581 -0.731 -9.838 366 2HG2 ILE 44 2HG2 ILE 44 -2.478 -1.866 -10.615 367 3HG2 ILE 44 3HG2 ILE 44 -2.118 -0.139 -10.625 368 1HD1 ILE 44 1HD1 ILE 44 -4.007 0.990 -7.773 369 2HD1 ILE 44 2HD1 ILE 44 -3.575 0.163 -6.276 370 3HD1 ILE 44 3HD1 ILE 44 -4.047 -0.771 -7.696 371 H PHE 45 H PHE 45 -3.246 -4.610 -8.759 372 HA PHE 45 HA PHE 45 -0.813 -5.726 -9.966 373 1HB PHE 45 1HB PHE 45 -1.746 -7.152 -8.269 374 2HB PHE 45 2HB PHE 45 -3.351 -7.044 -8.989 375 HD1 PHE 45 HD1 PHE 45 -4.046 -8.957 -10.032 376 HD2 PHE 45 HD2 PHE 45 0.088 -7.918 -10.171 377 HE1 PHE 45 HE1 PHE 45 -3.585 -10.980 -11.363 378 HE2 PHE 45 HE2 PHE 45 0.555 -9.939 -11.504 379 HZ PHE 45 HZ PHE 45 -1.283 -11.472 -12.101 380 H ALA 46 H ALA 46 -0.667 -5.360 -12.079 381 HA ALA 46 HA ALA 46 -1.185 -5.181 -14.287 382 1HB ALA 46 1HB ALA 46 -3.585 -6.910 -13.904 383 2HB ALA 46 2HB ALA 46 -1.979 -7.583 -13.629 384 3HB ALA 46 3HB ALA 46 -2.394 -6.909 -15.205 385 H GLY 47 H GLY 47 -2.180 -3.131 -12.657 386 1HA GLY 47 1HA GLY 47 -3.468 -1.246 -13.095 387 2HA GLY 47 2HA GLY 47 -4.285 -2.136 -14.370 388 H LYS 48 H LYS 48 -4.532 -4.237 -11.991 389 HA LYS 48 HA LYS 48 -7.169 -3.259 -11.207 390 1HB LYS 48 1HB LYS 48 -6.343 -5.725 -12.019 391 2HB LYS 48 2HB LYS 48 -6.299 -5.915 -10.272 392 1HG LYS 48 1HG LYS 48 -8.503 -6.107 -10.171 393 2HG LYS 48 2HG LYS 48 -8.734 -4.615 -11.086 394 1HD LYS 48 1HD LYS 48 -8.621 -5.770 -13.158 395 2HD LYS 48 2HD LYS 48 -8.044 -7.245 -12.381 396 1HE LYS 48 1HE LYS 48 -10.142 -7.939 -12.190 397 2HE LYS 48 2HE LYS 48 -10.484 -6.563 -11.143 398 1HZ LYS 48 1HZ LYS 48 -11.499 -5.443 -12.796 399 2HZ LYS 48 2HZ LYS 48 -11.737 -6.990 -13.438 400 3HZ LYS 48 3HZ LYS 48 -10.464 -6.027 -14.001 401 H GLN 49 H GLN 49 -7.457 -2.281 -9.325 402 HA GLN 49 HA GLN 49 -5.392 -2.390 -7.292 403 1HB GLN 49 1HB GLN 49 -6.344 -0.226 -7.796 404 2HB GLN 49 2HB GLN 49 -7.968 -0.823 -7.482 405 1HG GLN 49 1HG GLN 49 -7.072 -1.318 -5.111 406 2HG GLN 49 2HG GLN 49 -5.779 -0.202 -5.548 407 1HE2 GLN 49 1HE2 GLN 49 -6.229 1.966 -5.793 408 2HE2 GLN 49 2HE2 GLN 49 -7.719 2.676 -5.284 409 H LEU 50 H LEU 50 -5.393 -4.007 -5.879 410 HA LEU 50 HA LEU 50 -7.515 -5.748 -5.380 411 1HB LEU 50 1HB LEU 50 -5.373 -5.171 -3.355 412 2HB LEU 50 2HB LEU 50 -6.194 -6.687 -3.672 413 HG LEU 50 HG LEU 50 -4.130 -5.357 -5.426 414 1HD1 LEU 50 1HD1 LEU 50 -3.951 -7.186 -3.252 415 2HD1 LEU 50 2HD1 LEU 50 -2.661 -6.542 -4.267 416 3HD1 LEU 50 3HD1 LEU 50 -3.495 -8.023 -4.736 417 1HD2 LEU 50 1HD2 LEU 50 -4.910 -8.072 -6.108 418 2HD2 LEU 50 2HD2 LEU 50 -4.718 -6.655 -7.140 419 3HD2 LEU 50 3HD2 LEU 50 -6.235 -6.920 -6.282 420 H GLU 51 H GLU 51 -8.980 -5.948 -3.679 421 HA GLU 51 HA GLU 51 -9.443 -3.469 -2.155 422 1HB GLU 51 1HB GLU 51 -11.298 -5.369 -3.509 423 2HB GLU 51 2HB GLU 51 -11.850 -4.589 -2.034 424 1HG GLU 51 1HG GLU 51 -11.227 -2.394 -3.113 425 2HG GLU 51 2HG GLU 51 -11.029 -3.296 -4.615 426 H ASP 52 H ASP 52 -9.386 -3.582 -0.002 427 HA ASP 52 HA ASP 52 -8.476 -5.787 1.392 428 1HB ASP 52 1HB ASP 52 -9.666 -4.489 3.377 429 2HB ASP 52 2HB ASP 52 -8.207 -3.870 2.618 430 H GLY 53 H GLY 53 -9.490 -7.706 1.289 431 1HA GLY 53 1HA GLY 53 -11.352 -8.727 2.764 432 2HA GLY 53 2HA GLY 53 -12.400 -7.783 1.717 433 H ARG 54 H ARG 54 -10.190 -8.459 -0.409 434 HA ARG 54 HA ARG 54 -11.544 -10.884 -1.314 435 1HB ARG 54 1HB ARG 54 -11.178 -8.773 -2.751 436 2HB ARG 54 2HB ARG 54 -9.514 -9.322 -2.889 437 1HG ARG 54 1HG ARG 54 -10.040 -11.003 -4.292 438 2HG ARG 54 2HG ARG 54 -11.582 -11.329 -3.498 439 1HD ARG 54 1HD ARG 54 -11.881 -8.799 -4.615 440 2HD ARG 54 2HD ARG 54 -11.011 -9.727 -5.836 441 HE ARG 54 HE ARG 54 -12.978 -10.770 -6.284 442 1HH1 ARG 54 1HH1 ARG 54 -14.631 -10.338 -2.663 443 2HH1 ARG 54 2HH1 ARG 54 -13.029 -9.747 -2.956 444 1HH2 ARG 54 1HH2 ARG 54 -15.086 -11.552 -5.912 445 2HH2 ARG 54 2HH2 ARG 54 -15.801 -11.365 -4.345 446 H THR 55 H THR 55 -10.264 -12.616 -2.306 447 HA THR 55 HA THR 55 -7.893 -13.166 -0.690 448 HB THR 55 HB THR 55 -8.183 -15.478 -1.324 449 HG1 THR 55 HG1 THR 55 -9.042 -15.911 -3.167 450 1HG2 THR 55 1HG2 THR 55 -10.392 -13.988 -0.182 451 2HG2 THR 55 2HG2 THR 55 -9.684 -15.527 0.310 452 3HG2 THR 55 3HG2 THR 55 -10.904 -15.484 -0.963 453 H LEU 56 H LEU 56 -6.064 -14.312 -1.758 454 HA LEU 56 HA LEU 56 -5.051 -12.759 -3.892 455 1HB LEU 56 1HB LEU 56 -4.110 -15.335 -2.644 456 2HB LEU 56 2HB LEU 56 -3.221 -14.511 -3.911 457 HG LEU 56 HG LEU 56 -3.589 -13.751 -1.056 458 1HD1 LEU 56 1HD1 LEU 56 -1.158 -12.866 -2.116 459 2HD1 LEU 56 2HD1 LEU 56 -1.453 -14.444 -2.848 460 3HD1 LEU 56 3HD1 LEU 56 -1.434 -14.276 -1.092 461 1HD2 LEU 56 1HD2 LEU 56 -2.719 -11.439 -1.777 462 2HD2 LEU 56 2HD2 LEU 56 -4.443 -11.773 -1.940 463 3HD2 LEU 56 3HD2 LEU 56 -3.394 -11.839 -3.356 464 H SER 57 H SER 57 -6.001 -16.193 -3.764 465 HA SER 57 HA SER 57 -5.601 -16.863 -6.403 466 1HB SER 57 1HB SER 57 -6.471 -18.261 -4.339 467 2HB SER 57 2HB SER 57 -8.051 -17.895 -5.031 468 HG SER 57 HG SER 57 -7.296 -18.814 -6.999 469 H ASP 58 H ASP 58 -8.327 -15.167 -4.955 470 HA ASP 58 HA ASP 58 -10.189 -15.230 -6.964 471 1HB ASP 58 1HB ASP 58 -9.430 -13.038 -5.045 472 2HB ASP 58 2HB ASP 58 -10.753 -12.837 -6.190 473 H TYR 59 H TYR 59 -7.166 -13.499 -6.889 474 HA TYR 59 HA TYR 59 -7.821 -12.026 -9.320 475 1HB TYR 59 1HB TYR 59 -5.314 -12.000 -7.627 476 2HB TYR 59 2HB TYR 59 -5.632 -10.941 -8.996 477 HD1 TYR 59 HD1 TYR 59 -5.843 -11.275 -5.488 478 HD2 TYR 59 HD2 TYR 59 -7.821 -9.499 -8.820 479 HE1 TYR 59 HE1 TYR 59 -6.928 -9.660 -3.976 480 HE2 TYR 59 HE2 TYR 59 -8.910 -7.878 -7.318 481 HH TYR 59 HH TYR 59 -9.071 -7.117 -5.234 482 H ASN 60 H ASN 60 -7.503 -14.979 -9.250 483 HA ASN 60 HA ASN 60 -6.345 -16.675 -10.289 484 1HB ASN 60 1HB ASN 60 -6.061 -16.197 -12.748 485 2HB ASN 60 2HB ASN 60 -7.671 -15.874 -12.113 486 1HD2 ASN 60 1HD2 ASN 60 -4.895 -14.573 -13.613 487 2HD2 ASN 60 2HD2 ASN 60 -5.455 -12.945 -13.758 488 H LEU 61 H LEU 61 -4.620 -14.971 -8.744 489 HA LEU 61 HA LEU 61 -2.295 -14.211 -10.116 490 1HB LEU 61 1HB LEU 61 -2.996 -14.799 -7.292 491 2HB LEU 61 2HB LEU 61 -1.293 -14.783 -7.706 492 HG LEU 61 HG LEU 61 -3.045 -12.471 -8.463 493 1HD1 LEU 61 1HD1 LEU 61 -2.812 -11.436 -6.390 494 2HD1 LEU 61 2HD1 LEU 61 -1.572 -12.571 -5.856 495 3HD1 LEU 61 3HD1 LEU 61 -3.251 -13.095 -5.982 496 1HD2 LEU 61 1HD2 LEU 61 -0.115 -12.764 -7.821 497 2HD2 LEU 61 2HD2 LEU 61 -0.921 -11.251 -8.233 498 3HD2 LEU 61 3HD2 LEU 61 -0.826 -12.550 -9.420 499 H GLN 62 H GLN 62 -0.154 -15.234 -9.968 500 HA GLN 62 HA GLN 62 -0.310 -18.174 -9.966 501 1HB GLN 62 1HB GLN 62 1.501 -16.654 -11.825 502 2HB GLN 62 2HB GLN 62 0.998 -18.337 -11.915 503 1HG GLN 62 1HG GLN 62 -1.389 -17.077 -12.113 504 2HG GLN 62 2HG GLN 62 -0.324 -15.911 -12.895 505 1HE2 GLN 62 1HE2 GLN 62 1.527 -17.678 -14.003 506 2HE2 GLN 62 2HE2 GLN 62 0.748 -18.583 -15.251 507 H LYS 63 H LYS 63 2.106 -19.039 -10.078 508 HA LYS 63 HA LYS 63 3.287 -18.414 -7.613 509 1HB LYS 63 1HB LYS 63 3.523 -20.557 -8.963 510 2HB LYS 63 2HB LYS 63 4.720 -19.708 -9.930 511 1HG LYS 63 1HG LYS 63 6.198 -20.507 -8.466 512 2HG LYS 63 2HG LYS 63 5.606 -19.240 -7.390 513 1HD LYS 63 1HD LYS 63 4.073 -20.758 -6.342 514 2HD LYS 63 2HD LYS 63 4.444 -22.019 -7.521 515 1HE LYS 63 1HE LYS 63 6.674 -20.875 -5.916 516 2HE LYS 63 2HE LYS 63 5.560 -21.990 -5.127 517 1HZ LYS 63 1HZ LYS 63 7.455 -22.489 -7.309 518 2HZ LYS 63 2HZ LYS 63 6.039 -23.412 -7.244 519 3HZ LYS 63 3HZ LYS 63 7.116 -23.427 -5.940 520 H GLU 64 H GLU 64 4.806 -16.994 -6.997 521 HA GLU 64 HA GLU 64 6.049 -15.078 -7.072 522 1HB GLU 64 1HB GLU 64 7.219 -16.518 -9.460 523 2HB GLU 64 2HB GLU 64 7.980 -15.186 -8.600 524 1HG GLU 64 1HG GLU 64 7.798 -16.690 -6.528 525 2HG GLU 64 2HG GLU 64 7.513 -17.994 -7.680 526 H SER 65 H SER 65 4.312 -13.670 -7.590 527 HA SER 65 HA SER 65 4.131 -12.873 -10.412 528 1HB SER 65 1HB SER 65 2.263 -12.347 -8.090 529 2HB SER 65 2HB SER 65 2.036 -11.703 -9.715 530 HG SER 65 HG SER 65 2.455 -14.416 -9.630 531 H THR 66 H THR 66 3.611 -10.437 -10.652 532 HA THR 66 HA THR 66 5.427 -8.909 -8.905 533 HB THR 66 HB THR 66 5.007 -8.558 -11.879 534 HG1 THR 66 HG1 THR 66 7.243 -9.495 -10.408 535 1HG2 THR 66 1HG2 THR 66 6.354 -6.742 -11.892 536 2HG2 THR 66 2HG2 THR 66 7.236 -7.244 -10.451 537 3HG2 THR 66 3HG2 THR 66 5.632 -6.530 -10.296 538 H ILE 67 H ILE 67 4.168 -7.679 -7.661 539 HA ILE 67 HA ILE 67 1.892 -6.288 -8.914 540 HB ILE 67 HB ILE 67 2.319 -7.181 -6.067 541 1HG1 ILE 67 1HG1 ILE 67 0.002 -8.163 -6.516 542 2HG1 ILE 67 2HG1 ILE 67 0.280 -7.773 -8.211 543 1HG2 ILE 67 1HG2 ILE 67 1.414 -5.126 -5.618 544 2HG2 ILE 67 2HG2 ILE 67 -0.054 -6.077 -5.840 545 3HG2 ILE 67 3HG2 ILE 67 0.538 -5.053 -7.147 546 1HD1 ILE 67 1HD1 ILE 67 0.813 -10.076 -7.812 547 2HD1 ILE 67 2HD1 ILE 67 1.911 -9.634 -6.505 548 3HD1 ILE 67 3HD1 ILE 67 2.295 -9.189 -8.169 549 H HIS 68 H HIS 68 1.699 -4.096 -8.711 550 HA HIS 68 HA HIS 68 4.083 -2.688 -7.786 551 1HB HIS 68 1HB HIS 68 1.694 -1.717 -9.370 552 2HB HIS 68 2HB HIS 68 3.097 -0.735 -8.956 553 HD1 HIS 68 HD1 HIS 68 3.651 -0.390 -11.464 554 HD2 HIS 68 HD2 HIS 68 3.732 -4.356 -10.224 555 HE1 HIS 68 HE1 HIS 68 4.789 -1.652 -13.318 556 HE2 HIS 68 HE2 HIS 68 4.904 -4.034 -12.507 557 H LEU 69 H LEU 69 4.154 -1.521 -5.977 558 HA LEU 69 HA LEU 69 1.643 -1.124 -4.496 559 1HB LEU 69 1HB LEU 69 3.511 -2.516 -3.489 560 2HB LEU 69 2HB LEU 69 4.434 -1.031 -3.370 561 HG LEU 69 HG LEU 69 1.714 -1.145 -2.139 562 1HD1 LEU 69 1HD1 LEU 69 3.488 -1.765 -0.098 563 2HD1 LEU 69 2HD1 LEU 69 3.930 -2.852 -1.415 564 3HD1 LEU 69 3HD1 LEU 69 2.275 -2.831 -0.806 565 1HD2 LEU 69 1HD2 LEU 69 3.245 0.214 -0.437 566 2HD2 LEU 69 2HD2 LEU 69 2.499 0.963 -1.849 567 3HD2 LEU 69 3HD2 LEU 69 4.189 0.463 -1.906 568 H VAL 70 H VAL 70 0.858 0.861 -4.549 569 HA VAL 70 HA VAL 70 2.734 3.112 -4.843 570 HB VAL 70 HB VAL 70 0.020 3.915 -5.303 571 1HG1 VAL 70 1HG1 VAL 70 1.509 3.921 -7.697 572 2HG1 VAL 70 2HG1 VAL 70 2.635 4.264 -6.386 573 3HG1 VAL 70 3HG1 VAL 70 1.202 5.268 -6.602 574 1HG2 VAL 70 1HG2 VAL 70 -0.213 2.594 -7.487 575 2HG2 VAL 70 2HG2 VAL 70 -0.632 1.775 -5.981 576 3HG2 VAL 70 3HG2 VAL 70 0.916 1.450 -6.759 577 H LEU 71 H LEU 71 2.553 4.900 -3.528 578 HA LEU 71 HA LEU 71 1.338 4.421 -0.951 579 1HB LEU 71 1HB LEU 71 3.619 5.647 -1.665 580 2HB LEU 71 2HB LEU 71 2.565 7.046 -1.577 581 HG LEU 71 HG LEU 71 3.462 6.981 0.552 582 1HD1 LEU 71 1HD1 LEU 71 1.205 5.144 1.176 583 2HD1 LEU 71 2HD1 LEU 71 0.859 6.685 0.392 584 3HD1 LEU 71 3HD1 LEU 71 1.680 6.655 1.952 585 1HD2 LEU 71 1HD2 LEU 71 3.894 4.971 1.832 586 2HD2 LEU 71 2HD2 LEU 71 4.660 4.858 0.247 587 3HD2 LEU 71 3HD2 LEU 71 3.163 3.982 0.568 588 H ARG 72 H ARG 72 -0.610 5.089 -0.356 589 HA ARG 72 HA ARG 72 -2.541 6.172 -1.895 590 1HB ARG 72 1HB ARG 72 -3.208 5.411 0.220 591 2HB ARG 72 2HB ARG 72 -2.049 6.436 1.057 592 1HG ARG 72 1HG ARG 72 -3.372 8.415 0.338 593 2HG ARG 72 2HG ARG 72 -4.576 7.308 -0.324 594 1HD ARG 72 1HD ARG 72 -3.770 6.804 2.465 595 2HD ARG 72 2HD ARG 72 -4.653 8.305 2.185 596 HE ARG 72 HE ARG 72 -5.832 5.925 1.026 597 1HH1 ARG 72 1HH1 ARG 72 -7.287 7.672 4.321 598 2HH1 ARG 72 2HH1 ARG 72 -5.714 8.106 3.739 599 1HH2 ARG 72 1HH2 ARG 72 -7.904 5.347 1.784 600 2HH2 ARG 72 2HH2 ARG 72 -8.531 6.103 3.210 601 H LEU 73 H LEU 73 -2.536 7.929 -3.125 602 HA LEU 73 HA LEU 73 -0.870 10.038 -3.190 603 1HB LEU 73 1HB LEU 73 -2.631 9.699 -4.832 604 2HB LEU 73 2HB LEU 73 -3.851 10.134 -3.650 605 HG LEU 73 HG LEU 73 -3.262 12.406 -3.701 606 1HD1 LEU 73 1HD1 LEU 73 -0.922 12.371 -3.463 607 2HD1 LEU 73 2HD1 LEU 73 -1.225 13.171 -5.006 608 3HD1 LEU 73 3HD1 LEU 73 -0.701 11.486 -4.972 609 1HD2 LEU 73 1HD2 LEU 73 -2.686 12.341 -6.482 610 2HD2 LEU 73 2HD2 LEU 73 -4.215 12.692 -5.679 611 3HD2 LEU 73 3HD2 LEU 73 -3.809 11.033 -6.114 612 H ARG 74 H ARG 74 -0.143 10.829 -1.248 613 HA ARG 74 HA ARG 74 -1.751 11.565 0.931 614 1HB ARG 74 1HB ARG 74 1.001 11.566 0.304 615 2HB ARG 74 2HB ARG 74 0.605 13.207 0.792 616 1HG ARG 74 1HG ARG 74 0.158 12.613 2.937 617 2HG ARG 74 2HG ARG 74 -0.415 11.005 2.489 618 1HD ARG 74 1HD ARG 74 1.692 10.108 2.475 619 2HD ARG 74 2HD ARG 74 2.461 11.644 2.077 620 HE ARG 74 HE ARG 74 1.446 11.973 4.607 621 1HH1 ARG 74 1HH1 ARG 74 4.615 9.526 4.496 622 2HH1 ARG 74 2HH1 ARG 74 3.678 9.790 3.063 623 1HH2 ARG 74 1HH2 ARG 74 2.673 11.634 6.501 624 2HH2 ARG 74 2HH2 ARG 74 4.042 10.575 6.452 625 H GLY 75 H GLY 75 -0.607 13.397 -1.863 626 1HA GLY 75 1HA GLY 75 -2.684 15.382 -1.357 627 2HA GLY 75 2HA GLY 75 -1.029 15.971 -1.358 628 H GLY 76 H GLY 76 0.235 15.693 -3.324 629 1HA GLY 76 1HA GLY 76 -1.322 15.161 -5.746 630 2HA GLY 76 2HA GLY 76 -0.622 16.763 -5.568 Start of MODEL 6 1 1H MET 1 1H MET 1 3.722 -20.439 -1.501 2 2H MET 1 2H MET 1 2.092 -20.211 -1.985 3 3H MET 1 3H MET 1 2.871 -19.034 -1.010 4 HA MET 1 HA MET 1 4.063 -19.716 -3.563 5 1HB MET 1 1HB MET 1 2.557 -18.070 -4.665 6 2HB MET 1 2HB MET 1 1.724 -19.526 -4.139 7 1HG MET 1 1HG MET 1 0.515 -18.436 -2.557 8 2HG MET 1 2HG MET 1 1.766 -17.227 -2.274 9 1HE MET 1 1HE MET 1 -1.386 -17.916 -5.078 10 2HE MET 1 2HE MET 1 0.194 -18.667 -5.292 11 3HE MET 1 3HE MET 1 -0.267 -17.286 -6.287 12 H GLN 2 H GLN 2 5.611 -18.254 -4.056 13 HA GLN 2 HA GLN 2 6.080 -16.119 -2.109 14 1HB GLN 2 1HB GLN 2 7.842 -17.882 -2.799 15 2HB GLN 2 2HB GLN 2 7.995 -16.941 -4.276 16 1HG GLN 2 1HG GLN 2 8.692 -15.010 -3.050 17 2HG GLN 2 2HG GLN 2 8.356 -15.808 -1.515 18 1HE2 GLN 2 1HE2 GLN 2 10.193 -16.220 -0.530 19 2HE2 GLN 2 2HE2 GLN 2 11.616 -16.874 -1.258 20 H LEU 3 H LEU 3 4.928 -14.363 -2.698 21 HA LEU 3 HA LEU 3 4.990 -13.499 -5.496 22 1HB LEU 3 1HB LEU 3 3.353 -12.397 -3.213 23 2HB LEU 3 2HB LEU 3 3.173 -12.004 -4.913 24 HG LEU 3 HG LEU 3 2.494 -14.592 -3.535 25 1HD1 LEU 3 1HD1 LEU 3 0.303 -14.105 -4.724 26 2HD1 LEU 3 2HD1 LEU 3 0.944 -12.489 -5.016 27 3HD1 LEU 3 3HD1 LEU 3 0.719 -13.063 -3.364 28 1HD2 LEU 3 1HD2 LEU 3 1.723 -14.952 -6.114 29 2HD2 LEU 3 2HD2 LEU 3 3.200 -15.607 -5.407 30 3HD2 LEU 3 3HD2 LEU 3 3.255 -14.101 -6.325 31 H PHE 4 H PHE 4 5.873 -11.586 -6.147 32 HA PHE 4 HA PHE 4 7.585 -10.238 -4.189 33 1HB PHE 4 1HB PHE 4 7.723 -9.634 -7.109 34 2HB PHE 4 2HB PHE 4 9.014 -9.688 -5.913 35 HD1 PHE 4 HD1 PHE 4 8.399 -11.060 -8.805 36 HD2 PHE 4 HD2 PHE 4 8.655 -12.357 -4.750 37 HE1 PHE 4 HE1 PHE 4 9.008 -13.323 -9.571 38 HE2 PHE 4 HE2 PHE 4 9.265 -14.622 -5.508 39 HZ PHE 4 HZ PHE 4 9.441 -15.107 -7.921 40 H VAL 5 H VAL 5 7.298 -8.167 -3.601 41 HA VAL 5 HA VAL 5 5.138 -6.665 -4.932 42 HB VAL 5 HB VAL 5 6.019 -6.445 -2.049 43 1HG1 VAL 5 1HG1 VAL 5 3.568 -5.236 -3.296 44 2HG1 VAL 5 2HG1 VAL 5 5.107 -4.377 -3.224 45 3HG1 VAL 5 3HG1 VAL 5 4.303 -4.873 -1.735 46 1HG2 VAL 5 1HG2 VAL 5 3.473 -7.261 -1.901 47 2HG2 VAL 5 2HG2 VAL 5 4.840 -8.376 -1.920 48 3HG2 VAL 5 3HG2 VAL 5 3.942 -8.056 -3.404 49 H LYS 6 H LYS 6 6.207 -5.352 -6.313 50 HA LYS 6 HA LYS 6 8.543 -3.876 -5.344 51 1HB LYS 6 1HB LYS 6 9.090 -3.444 -7.605 52 2HB LYS 6 2HB LYS 6 8.570 -5.122 -7.554 53 1HG LYS 6 1HG LYS 6 6.866 -4.750 -8.939 54 2HG LYS 6 2HG LYS 6 6.390 -3.272 -8.099 55 1HD LYS 6 1HD LYS 6 7.060 -2.828 -10.417 56 2HD LYS 6 2HD LYS 6 8.125 -2.026 -9.260 57 1HE LYS 6 1HE LYS 6 9.710 -3.934 -9.505 58 2HE LYS 6 2HE LYS 6 8.675 -4.569 -10.783 59 1HZ LYS 6 1HZ LYS 6 9.162 -1.919 -11.412 60 2HZ LYS 6 2HZ LYS 6 9.780 -3.287 -12.189 61 3HZ LYS 6 3HZ LYS 6 10.655 -2.559 -10.938 62 H THR 7 H THR 7 8.659 -1.565 -6.370 63 HA THR 7 HA THR 7 6.047 -0.240 -6.128 64 HB THR 7 HB THR 7 6.945 1.472 -4.703 65 HG1 THR 7 HG1 THR 7 9.022 1.752 -4.374 66 1HG2 THR 7 1HG2 THR 7 8.165 -0.251 -2.944 67 2HG2 THR 7 2HG2 THR 7 7.091 -1.299 -3.870 68 3HG2 THR 7 3HG2 THR 7 6.440 0.108 -3.029 69 H LEU 8 H LEU 8 7.064 2.387 -6.343 70 HA LEU 8 HA LEU 8 7.638 2.429 -9.188 71 1HB LEU 8 1HB LEU 8 7.350 4.857 -7.454 72 2HB LEU 8 2HB LEU 8 7.002 4.683 -9.163 73 HG LEU 8 HG LEU 8 5.388 3.479 -6.913 74 1HD1 LEU 8 1HD1 LEU 8 4.849 5.814 -8.739 75 2HD1 LEU 8 2HD1 LEU 8 5.103 5.870 -6.994 76 3HD1 LEU 8 3HD1 LEU 8 3.665 5.088 -7.652 77 1HD2 LEU 8 1HD2 LEU 8 4.389 3.627 -9.698 78 2HD2 LEU 8 2HD2 LEU 8 4.073 2.431 -8.439 79 3HD2 LEU 8 3HD2 LEU 8 5.594 2.392 -9.331 80 H THR 9 H THR 9 9.321 2.753 -6.227 81 HA THR 9 HA THR 9 11.525 4.243 -7.402 82 HB THR 9 HB THR 9 12.324 4.556 -5.259 83 HG1 THR 9 HG1 THR 9 12.376 3.037 -3.777 84 1HG2 THR 9 1HG2 THR 9 10.581 5.120 -3.799 85 2HG2 THR 9 2HG2 THR 9 9.495 3.919 -4.499 86 3HG2 THR 9 3HG2 THR 9 9.933 5.358 -5.422 87 H GLY 10 H GLY 10 10.539 1.057 -7.258 88 1HA GLY 10 1HA GLY 10 11.837 -0.589 -8.459 89 2HA GLY 10 2HA GLY 10 13.291 0.154 -7.807 90 H LYS 11 H LYS 11 12.574 0.361 -5.122 91 HA LYS 11 HA LYS 11 13.423 -1.939 -3.990 92 1HB LYS 11 1HB LYS 11 12.457 0.426 -3.019 93 2HB LYS 11 2HB LYS 11 11.240 -0.707 -2.448 94 1HG LYS 11 1HG LYS 11 13.909 -1.713 -1.994 95 2HG LYS 11 2HG LYS 11 13.673 -0.128 -1.254 96 1HD LYS 11 1HD LYS 11 12.024 -2.614 -0.828 97 2HD LYS 11 2HD LYS 11 13.053 -1.794 0.348 98 1HE LYS 11 1HE LYS 11 11.336 0.191 -0.496 99 2HE LYS 11 2HE LYS 11 10.307 -1.239 -0.447 100 1HZ LYS 11 1HZ LYS 11 11.757 -1.362 1.865 101 2HZ LYS 11 2HZ LYS 11 10.149 -0.857 1.722 102 3HZ LYS 11 3HZ LYS 11 11.397 0.284 1.708 103 H THR 12 H THR 12 12.758 -3.966 -4.164 104 HA THR 12 HA THR 12 9.861 -4.500 -4.175 105 HB THR 12 HB THR 12 12.035 -5.898 -5.739 106 HG1 THR 12 HG1 THR 12 10.909 -5.144 -7.499 107 1HG2 THR 12 1HG2 THR 12 10.251 -7.286 -6.693 108 2HG2 THR 12 2HG2 THR 12 9.125 -6.625 -5.508 109 3HG2 THR 12 3HG2 THR 12 10.501 -7.591 -4.974 110 H LEU 13 H LEU 13 9.175 -5.742 -2.566 111 HA LEU 13 HA LEU 13 11.165 -7.224 -0.999 112 1HB LEU 13 1HB LEU 13 9.764 -7.024 0.860 113 2HB LEU 13 2HB LEU 13 9.643 -5.471 0.056 114 HG LEU 13 HG LEU 13 7.573 -7.055 -1.009 115 1HD1 LEU 13 1HD1 LEU 13 7.245 -7.072 1.949 116 2HD1 LEU 13 2HD1 LEU 13 8.150 -8.377 1.183 117 3HD1 LEU 13 3HD1 LEU 13 6.476 -8.077 0.720 118 1HD2 LEU 13 1HD2 LEU 13 6.656 -5.053 -0.778 119 2HD2 LEU 13 2HD2 LEU 13 7.973 -4.544 0.278 120 3HD2 LEU 13 3HD2 LEU 13 6.544 -5.320 0.962 121 H THR 14 H THR 14 10.784 -9.372 -0.355 122 HA THR 14 HA THR 14 8.919 -10.817 -2.116 123 HB THR 14 HB THR 14 11.328 -11.943 -0.681 124 HG1 THR 14 HG1 THR 14 12.493 -11.538 -2.445 125 1HG2 THR 14 1HG2 THR 14 11.159 -13.820 -2.066 126 2HG2 THR 14 2HG2 THR 14 9.979 -13.041 -3.120 127 3HG2 THR 14 3HG2 THR 14 9.520 -13.521 -1.486 128 H VAL 15 H VAL 15 7.269 -11.900 -1.253 129 HA VAL 15 HA VAL 15 7.358 -12.573 1.609 130 HB VAL 15 HB VAL 15 4.850 -12.059 1.628 131 1HG1 VAL 15 1HG1 VAL 15 6.233 -10.693 2.932 132 2HG1 VAL 15 2HG1 VAL 15 5.324 -9.565 1.926 133 3HG1 VAL 15 3HG1 VAL 15 6.994 -9.962 1.520 134 1HG2 VAL 15 1HG2 VAL 15 5.066 -11.713 -1.002 135 2HG2 VAL 15 2HG2 VAL 15 5.370 -10.052 -0.494 136 3HG2 VAL 15 3HG2 VAL 15 3.867 -10.854 -0.034 137 H GLU 16 H GLU 16 5.864 -14.278 2.238 138 HA GLU 16 HA GLU 16 5.244 -16.089 -0.002 139 1HB GLU 16 1HB GLU 16 6.726 -16.514 2.465 140 2HB GLU 16 2HB GLU 16 5.410 -17.665 2.282 141 1HG GLU 16 1HG GLU 16 6.478 -17.752 -0.191 142 2HG GLU 16 2HG GLU 16 7.913 -17.391 0.770 143 H LEU 17 H LEU 17 3.143 -16.345 -0.313 144 HA LEU 17 HA LEU 17 1.368 -16.503 2.016 145 1HB LEU 17 1HB LEU 17 0.738 -14.923 -0.476 146 2HB LEU 17 2HB LEU 17 -0.303 -15.122 0.920 147 HG LEU 17 HG LEU 17 2.380 -13.921 1.376 148 1HD1 LEU 17 1HD1 LEU 17 1.485 -12.846 -0.699 149 2HD1 LEU 17 2HD1 LEU 17 1.720 -11.748 0.661 150 3HD1 LEU 17 3HD1 LEU 17 0.099 -12.311 0.252 151 1HD2 LEU 17 1HD2 LEU 17 -0.149 -14.166 2.726 152 2HD2 LEU 17 2HD2 LEU 17 0.335 -12.475 2.606 153 3HD2 LEU 17 3HD2 LEU 17 1.415 -13.649 3.355 154 H GLU 18 H GLU 18 -1.000 -16.990 0.916 155 HA GLU 18 HA GLU 18 -0.582 -19.202 -0.978 156 1HB GLU 18 1HB GLU 18 -2.648 -19.404 1.183 157 2HB GLU 18 2HB GLU 18 -1.871 -20.688 0.268 158 1HG GLU 18 1HG GLU 18 -0.141 -19.045 2.015 159 2HG GLU 18 2HG GLU 18 -1.270 -20.148 2.800 160 HA PRO 19 HA PRO 19 -3.759 -17.625 -3.561 161 1HB PRO 19 1HB PRO 19 -5.006 -20.328 -3.346 162 2HB PRO 19 2HB PRO 19 -4.611 -19.383 -4.785 163 1HG PRO 19 1HG PRO 19 -3.089 -21.445 -4.048 164 2HG PRO 19 2HG PRO 19 -2.367 -19.969 -4.715 165 1HD PRO 19 1HD PRO 19 -2.442 -20.940 -1.900 166 2HD PRO 19 2HD PRO 19 -1.191 -20.007 -2.742 167 H SER 20 H SER 20 -4.531 -19.255 -0.590 168 HA SER 20 HA SER 20 -7.298 -18.454 -0.571 169 1HB SER 20 1HB SER 20 -6.945 -19.194 1.954 170 2HB SER 20 2HB SER 20 -7.068 -20.387 0.661 171 HG SER 20 HG SER 20 -5.049 -20.910 0.958 172 H ASP 21 H ASP 21 -4.288 -17.373 0.921 173 HA ASP 21 HA ASP 21 -5.080 -15.602 2.803 174 1HB ASP 21 1HB ASP 21 -2.885 -15.428 0.760 175 2HB ASP 21 2HB ASP 21 -3.139 -14.115 1.906 176 H THR 22 H THR 22 -5.610 -13.372 2.870 177 HA THR 22 HA THR 22 -6.943 -12.416 0.423 178 HB THR 22 HB THR 22 -8.445 -11.144 1.922 179 HG1 THR 22 HG1 THR 22 -7.535 -12.630 4.106 180 1HG2 THR 22 1HG2 THR 22 -8.302 -14.104 2.384 181 2HG2 THR 22 2HG2 THR 22 -9.344 -13.220 1.270 182 3HG2 THR 22 3HG2 THR 22 -9.602 -13.091 3.010 183 H VAL 23 H VAL 23 -7.217 -9.953 0.439 184 HA VAL 23 HA VAL 23 -4.804 -8.703 0.120 185 HB VAL 23 HB VAL 23 -7.380 -7.377 0.978 186 1HG1 VAL 23 1HG1 VAL 23 -4.859 -6.280 -0.243 187 2HG1 VAL 23 2HG1 VAL 23 -5.622 -5.815 1.278 188 3HG1 VAL 23 3HG1 VAL 23 -6.395 -5.414 -0.256 189 1HG2 VAL 23 1HG2 VAL 23 -7.453 -6.914 -1.560 190 2HG2 VAL 23 2HG2 VAL 23 -7.915 -8.514 -0.979 191 3HG2 VAL 23 3HG2 VAL 23 -6.317 -8.259 -1.680 192 H GLU 24 H GLU 24 -6.811 -8.772 3.041 193 HA GLU 24 HA GLU 24 -5.372 -7.021 4.633 194 1HB GLU 24 1HB GLU 24 -7.024 -9.451 5.241 195 2HB GLU 24 2HB GLU 24 -6.177 -8.615 6.536 196 1HG GLU 24 1HG GLU 24 -7.353 -6.557 5.998 197 2HG GLU 24 2HG GLU 24 -8.183 -7.368 4.672 198 H ASN 25 H ASN 25 -4.862 -10.485 4.094 199 HA ASN 25 HA ASN 25 -2.762 -10.863 5.901 200 1HB ASN 25 1HB ASN 25 -3.470 -12.250 3.316 201 2HB ASN 25 2HB ASN 25 -2.121 -12.769 4.323 202 1HD2 ASN 25 1HD2 ASN 25 -2.549 -13.583 6.406 203 2HD2 ASN 25 2HD2 ASN 25 -4.102 -14.219 6.814 204 H LEU 26 H LEU 26 -2.608 -10.214 2.397 205 HA LEU 26 HA LEU 26 0.125 -10.058 2.091 206 1HB LEU 26 1HB LEU 26 -1.276 -9.951 0.168 207 2HB LEU 26 2HB LEU 26 -2.083 -8.507 0.753 208 HG LEU 26 HG LEU 26 -0.166 -7.151 0.314 209 1HD1 LEU 26 1HD1 LEU 26 1.960 -7.917 -0.223 210 2HD1 LEU 26 2HD1 LEU 26 1.377 -9.521 -0.669 211 3HD1 LEU 26 3HD1 LEU 26 1.428 -9.041 1.027 212 1HD2 LEU 26 1HD2 LEU 26 -0.084 -8.837 -2.119 213 2HD2 LEU 26 2HD2 LEU 26 -0.334 -7.100 -1.948 214 3HD2 LEU 26 3HD2 LEU 26 -1.658 -8.219 -1.620 215 H LYS 27 H LYS 27 -2.074 -7.344 2.812 216 HA LYS 27 HA LYS 27 -0.093 -5.400 3.162 217 1HB LYS 27 1HB LYS 27 -2.782 -5.549 4.541 218 2HB LYS 27 2HB LYS 27 -1.797 -4.107 4.339 219 1HG LYS 27 1HG LYS 27 -2.013 -4.583 1.815 220 2HG LYS 27 2HG LYS 27 -3.356 -5.627 2.289 221 1HD LYS 27 1HD LYS 27 -4.498 -3.782 3.322 222 2HD LYS 27 2HD LYS 27 -3.112 -2.722 3.059 223 1HE LYS 27 1HE LYS 27 -3.437 -2.734 0.710 224 2HE LYS 27 2HE LYS 27 -4.595 -4.059 0.809 225 1HZ LYS 27 1HZ LYS 27 -5.256 -1.460 0.669 226 2HZ LYS 27 2HZ LYS 27 -5.322 -1.721 2.339 227 3HZ LYS 27 3HZ LYS 27 -6.260 -2.669 1.299 228 H ALA 28 H ALA 28 -1.605 -7.617 5.469 229 HA ALA 28 HA ALA 28 -0.577 -6.701 7.847 230 1HB ALA 28 1HB ALA 28 -0.438 -9.333 8.306 231 2HB ALA 28 2HB ALA 28 -1.404 -9.353 6.830 232 3HB ALA 28 3HB ALA 28 -1.964 -8.452 8.239 233 H LYS 29 H LYS 29 1.020 -8.586 5.344 234 HA LYS 29 HA LYS 29 3.400 -9.066 6.854 235 1HB LYS 29 1HB LYS 29 3.224 -9.101 3.849 236 2HB LYS 29 2HB LYS 29 4.272 -10.052 4.893 237 1HG LYS 29 1HG LYS 29 1.351 -10.426 5.201 238 2HG LYS 29 2HG LYS 29 2.108 -11.061 3.738 239 1HD LYS 29 1HD LYS 29 3.225 -11.628 6.467 240 2HD LYS 29 2HD LYS 29 1.940 -12.615 5.768 241 1HE LYS 29 1HE LYS 29 3.340 -13.644 4.356 242 2HE LYS 29 2HE LYS 29 4.171 -12.143 3.946 243 1HZ LYS 29 1HZ LYS 29 5.277 -12.365 6.192 244 2HZ LYS 29 2HZ LYS 29 5.758 -13.472 5.007 245 3HZ LYS 29 3HZ LYS 29 4.691 -13.952 6.228 246 H ILE 30 H ILE 30 2.464 -6.758 4.331 247 HA ILE 30 HA ILE 30 4.925 -5.483 4.005 248 HB ILE 30 HB ILE 30 2.240 -4.117 3.843 249 1HG1 ILE 30 1HG1 ILE 30 3.665 -5.853 1.817 250 2HG1 ILE 30 2HG1 ILE 30 2.097 -6.158 2.558 251 1HG2 ILE 30 1HG2 ILE 30 3.328 -2.383 2.975 252 2HG2 ILE 30 2HG2 ILE 30 4.203 -3.417 1.846 253 3HG2 ILE 30 3HG2 ILE 30 4.829 -3.163 3.474 254 1HD1 ILE 30 1HD1 ILE 30 2.335 -3.615 1.107 255 2HD1 ILE 30 2HD1 ILE 30 1.019 -4.790 1.146 256 3HD1 ILE 30 3HD1 ILE 30 2.428 -5.076 0.124 257 H GLN 31 H GLN 31 2.503 -5.160 6.498 258 HA GLN 31 HA GLN 31 3.633 -2.743 7.592 259 1HB GLN 31 1HB GLN 31 1.242 -3.149 7.804 260 2HB GLN 31 2HB GLN 31 1.548 -4.641 8.681 261 1HG GLN 31 1HG GLN 31 2.492 -3.415 10.527 262 2HG GLN 31 2HG GLN 31 2.338 -1.901 9.638 263 1HE2 GLN 31 1HE2 GLN 31 0.956 -0.847 10.952 264 2HE2 GLN 31 2HE2 GLN 31 -0.654 -1.372 11.295 265 H ASP 32 H ASP 32 4.013 -6.159 8.020 266 HA ASP 32 HA ASP 32 5.446 -5.850 10.530 267 1HB ASP 32 1HB ASP 32 3.996 -7.937 9.320 268 2HB ASP 32 2HB ASP 32 5.665 -8.482 9.435 269 H LYS 33 H LYS 33 6.152 -5.597 7.285 270 HA LYS 33 HA LYS 33 8.977 -6.295 7.750 271 1HB LYS 33 1HB LYS 33 7.364 -6.419 5.199 272 2HB LYS 33 2HB LYS 33 9.112 -6.595 5.259 273 1HG LYS 33 1HG LYS 33 8.141 -8.402 7.144 274 2HG LYS 33 2HG LYS 33 7.052 -8.539 5.762 275 1HD LYS 33 1HD LYS 33 9.664 -8.386 4.719 276 2HD LYS 33 2HD LYS 33 9.723 -9.529 6.064 277 1HE LYS 33 1HE LYS 33 7.720 -9.634 3.813 278 2HE LYS 33 2HE LYS 33 9.204 -10.585 3.876 279 1HZ LYS 33 1HZ LYS 33 8.412 -11.878 5.581 280 2HZ LYS 33 2HZ LYS 33 6.988 -11.596 4.712 281 3HZ LYS 33 3HZ LYS 33 7.307 -10.714 6.120 282 H GLU 34 H GLU 34 6.875 -4.169 5.807 283 HA GLU 34 HA GLU 34 9.039 -2.189 5.734 284 1HB GLU 34 1HB GLU 34 6.695 -2.773 3.987 285 2HB GLU 34 2HB GLU 34 7.270 -1.115 4.072 286 1HG GLU 34 1HG GLU 34 8.312 -2.148 2.209 287 2HG GLU 34 2HG GLU 34 9.537 -1.943 3.461 288 H GLY 35 H GLY 35 6.895 -2.855 7.892 289 1HA GLY 35 1HA GLY 35 5.537 -1.698 9.350 290 2HA GLY 35 2HA GLY 35 6.749 -0.442 9.155 291 H ILE 36 H ILE 36 4.678 -1.577 6.561 292 HA ILE 36 HA ILE 36 3.551 1.119 6.365 293 HB ILE 36 HB ILE 36 3.045 -0.982 4.305 294 1HG1 ILE 36 1HG1 ILE 36 5.665 0.413 4.818 295 2HG1 ILE 36 2HG1 ILE 36 5.373 -1.299 4.528 296 1HG2 ILE 36 1HG2 ILE 36 3.483 1.998 4.233 297 2HG2 ILE 36 2HG2 ILE 36 1.956 1.141 4.030 298 3HG2 ILE 36 3HG2 ILE 36 3.220 0.991 2.810 299 1HD1 ILE 36 1HD1 ILE 36 5.513 0.952 2.587 300 2HD1 ILE 36 2HD1 ILE 36 4.559 -0.480 2.198 301 3HD1 ILE 36 3HD1 ILE 36 6.283 -0.634 2.535 302 HA PRO 37 HA PRO 37 -0.270 -0.536 7.966 303 1HB PRO 37 1HB PRO 37 -1.637 1.769 8.037 304 2HB PRO 37 2HB PRO 37 -0.318 1.440 9.166 305 1HG PRO 37 1HG PRO 37 -0.319 3.102 6.678 306 2HG PRO 37 2HG PRO 37 0.442 3.433 8.244 307 1HD PRO 37 1HD PRO 37 1.771 2.437 6.050 308 2HD PRO 37 2HD PRO 37 2.300 2.205 7.727 309 HA PRO 38 HA PRO 38 -2.582 -1.397 4.279 310 1HB PRO 38 1HB PRO 38 -4.889 -1.676 6.117 311 2HB PRO 38 2HB PRO 38 -4.203 -2.847 4.988 312 1HG PRO 38 1HG PRO 38 -3.850 -3.101 7.625 313 2HG PRO 38 2HG PRO 38 -2.566 -3.525 6.479 314 1HD PRO 38 1HD PRO 38 -2.856 -1.089 8.190 315 2HD PRO 38 2HD PRO 38 -1.396 -2.017 7.784 316 H ASP 39 H ASP 39 -3.559 0.984 6.624 317 HA ASP 39 HA ASP 39 -5.759 2.078 5.242 318 1HB ASP 39 1HB ASP 39 -3.861 3.352 7.222 319 2HB ASP 39 2HB ASP 39 -5.367 4.082 6.673 320 H GLN 40 H GLN 40 -2.364 2.318 4.731 321 HA GLN 40 HA GLN 40 -2.842 4.374 2.677 322 1HB GLN 40 1HB GLN 40 -0.177 4.116 4.017 323 2HB GLN 40 2HB GLN 40 -0.877 5.503 3.195 324 1HG GLN 40 1HG GLN 40 -2.611 5.227 5.240 325 2HG GLN 40 2HG GLN 40 -1.130 4.628 5.987 326 1HE2 GLN 40 1HE2 GLN 40 0.766 6.031 5.853 327 2HE2 GLN 40 2HE2 GLN 40 0.537 7.742 5.903 328 H GLN 41 H GLN 41 -2.677 1.344 2.692 329 HA GLN 41 HA GLN 41 -0.333 0.903 1.006 330 1HB GLN 41 1HB GLN 41 -2.199 -0.831 2.532 331 2HB GLN 41 2HB GLN 41 -1.496 -1.511 1.071 332 1HG GLN 41 1HG GLN 41 0.752 -0.943 1.961 333 2HG GLN 41 2HG GLN 41 -0.023 -0.439 3.464 334 1HE2 GLN 41 1HE2 GLN 41 0.072 -1.906 4.986 335 2HE2 GLN 41 2HE2 GLN 41 0.044 -3.618 4.765 336 H ARG 42 H ARG 42 -0.445 0.957 -1.132 337 HA ARG 42 HA ARG 42 -3.088 0.696 -2.407 338 1HB ARG 42 1HB ARG 42 -1.942 2.920 -2.625 339 2HB ARG 42 2HB ARG 42 -0.662 2.111 -3.519 340 1HG ARG 42 1HG ARG 42 -1.816 2.352 -5.388 341 2HG ARG 42 2HG ARG 42 -3.129 1.388 -4.707 342 1HD ARG 42 1HD ARG 42 -4.141 3.414 -5.284 343 2HD ARG 42 2HD ARG 42 -3.867 3.542 -3.547 344 HE ARG 42 HE ARG 42 -1.682 4.631 -4.977 345 1HH1 ARG 42 1HH1 ARG 42 -4.795 7.011 -4.157 346 2HH1 ARG 42 2HH1 ARG 42 -4.987 5.291 -4.099 347 1HH2 ARG 42 1HH2 ARG 42 -1.418 6.895 -5.056 348 2HH2 ARG 42 2HH2 ARG 42 -2.766 7.924 -4.701 349 H LEU 43 H LEU 43 -3.098 -1.495 -2.781 350 HA LEU 43 HA LEU 43 -0.831 -2.733 -4.118 351 1HB LEU 43 1HB LEU 43 -3.456 -4.039 -3.443 352 2HB LEU 43 2HB LEU 43 -1.908 -4.812 -3.732 353 HG LEU 43 HG LEU 43 -2.574 -3.083 -1.347 354 1HD1 LEU 43 1HD1 LEU 43 -3.699 -5.347 -1.508 355 2HD1 LEU 43 2HD1 LEU 43 -2.720 -5.056 -0.071 356 3HD1 LEU 43 3HD1 LEU 43 -2.085 -6.048 -1.385 357 1HD2 LEU 43 1HD2 LEU 43 -0.230 -4.850 -1.301 358 2HD2 LEU 43 2HD2 LEU 43 -0.424 -3.202 -0.703 359 3HD2 LEU 43 3HD2 LEU 43 -0.112 -3.488 -2.416 360 H ILE 44 H ILE 44 -0.657 -2.641 -6.247 361 HA ILE 44 HA ILE 44 -3.116 -2.771 -7.867 362 HB ILE 44 HB ILE 44 -0.664 -1.084 -8.363 363 1HG1 ILE 44 1HG1 ILE 44 -3.586 -0.333 -8.133 364 2HG1 ILE 44 2HG1 ILE 44 -2.406 -0.171 -6.835 365 1HG2 ILE 44 1HG2 ILE 44 -2.284 -0.419 -10.388 366 2HG2 ILE 44 2HG2 ILE 44 -2.712 -2.122 -10.221 367 3HG2 ILE 44 3HG2 ILE 44 -1.037 -1.659 -10.518 368 1HD1 ILE 44 1HD1 ILE 44 -3.069 1.774 -8.616 369 2HD1 ILE 44 2HD1 ILE 44 -1.596 1.113 -9.324 370 3HD1 ILE 44 3HD1 ILE 44 -1.582 1.722 -7.669 371 H PHE 45 H PHE 45 -3.180 -4.468 -9.175 372 HA PHE 45 HA PHE 45 -0.640 -5.628 -10.114 373 1HB PHE 45 1HB PHE 45 -1.675 -7.017 -8.329 374 2HB PHE 45 2HB PHE 45 -3.115 -7.183 -9.330 375 HD1 PHE 45 HD1 PHE 45 -3.150 -9.493 -9.713 376 HD2 PHE 45 HD2 PHE 45 0.411 -7.271 -10.470 377 HE1 PHE 45 HE1 PHE 45 -2.159 -11.463 -10.815 378 HE2 PHE 45 HE2 PHE 45 1.407 -9.237 -11.575 379 HZ PHE 45 HZ PHE 45 0.121 -11.335 -11.749 380 H ALA 46 H ALA 46 -0.484 -5.798 -12.253 381 HA ALA 46 HA ALA 46 -1.026 -5.560 -14.462 382 1HB ALA 46 1HB ALA 46 -2.882 -7.056 -15.209 383 2HB ALA 46 2HB ALA 46 -3.227 -7.385 -13.511 384 3HB ALA 46 3HB ALA 46 -1.671 -7.847 -14.200 385 H GLY 47 H GLY 47 -1.860 -3.369 -12.966 386 1HA GLY 47 1HA GLY 47 -3.134 -1.479 -13.256 387 2HA GLY 47 2HA GLY 47 -3.778 -2.220 -14.714 388 H LYS 48 H LYS 48 -4.003 -3.675 -11.533 389 HA LYS 48 HA LYS 48 -6.802 -2.869 -11.296 390 1HB LYS 48 1HB LYS 48 -5.887 -5.523 -12.054 391 2HB LYS 48 2HB LYS 48 -6.853 -5.559 -10.586 392 1HG LYS 48 1HG LYS 48 -8.395 -3.970 -12.100 393 2HG LYS 48 2HG LYS 48 -7.636 -4.947 -13.359 394 1HD LYS 48 1HD LYS 48 -8.287 -6.879 -11.605 395 2HD LYS 48 2HD LYS 48 -9.570 -5.716 -11.262 396 1HE LYS 48 1HE LYS 48 -9.818 -5.647 -13.854 397 2HE LYS 48 2HE LYS 48 -8.971 -7.192 -13.791 398 1HZ LYS 48 1HZ LYS 48 -10.803 -8.211 -13.103 399 2HZ LYS 48 2HZ LYS 48 -11.658 -6.795 -13.460 400 3HZ LYS 48 3HZ LYS 48 -11.092 -7.067 -11.889 401 H GLN 49 H GLN 49 -6.829 -1.926 -9.362 402 HA GLN 49 HA GLN 49 -5.041 -2.637 -7.253 403 1HB GLN 49 1HB GLN 49 -5.752 -0.355 -7.410 404 2HB GLN 49 2HB GLN 49 -7.448 -0.819 -7.357 405 1HG GLN 49 1HG GLN 49 -7.245 -1.502 -5.064 406 2HG GLN 49 2HG GLN 49 -5.504 -1.223 -5.096 407 1HE2 GLN 49 1HE2 GLN 49 -4.934 0.562 -4.106 408 2HE2 GLN 49 2HE2 GLN 49 -5.840 2.030 -4.033 409 H LEU 50 H LEU 50 -5.362 -3.876 -5.479 410 HA LEU 50 HA LEU 50 -7.531 -5.752 -5.535 411 1HB LEU 50 1HB LEU 50 -5.633 -5.423 -3.237 412 2HB LEU 50 2HB LEU 50 -6.424 -6.881 -3.806 413 HG LEU 50 HG LEU 50 -4.189 -5.429 -5.225 414 1HD1 LEU 50 1HD1 LEU 50 -3.366 -7.988 -4.630 415 2HD1 LEU 50 2HD1 LEU 50 -4.240 -7.492 -3.179 416 3HD1 LEU 50 3HD1 LEU 50 -2.895 -6.518 -3.775 417 1HD2 LEU 50 1HD2 LEU 50 -5.850 -6.578 -6.702 418 2HD2 LEU 50 2HD2 LEU 50 -5.433 -8.089 -5.894 419 3HD2 LEU 50 3HD2 LEU 50 -4.207 -7.211 -6.810 420 H GLU 51 H GLU 51 -9.046 -6.119 -3.828 421 HA GLU 51 HA GLU 51 -9.724 -3.662 -2.352 422 1HB GLU 51 1HB GLU 51 -11.618 -5.856 -3.199 423 2HB GLU 51 2HB GLU 51 -12.046 -4.310 -2.482 424 1HG GLU 51 1HG GLU 51 -11.177 -3.166 -4.472 425 2HG GLU 51 2HG GLU 51 -10.807 -4.732 -5.193 426 H ASP 52 H ASP 52 -9.439 -3.781 -0.232 427 HA ASP 52 HA ASP 52 -8.650 -6.016 1.181 428 1HB ASP 52 1HB ASP 52 -9.685 -4.602 3.174 429 2HB ASP 52 2HB ASP 52 -8.215 -4.095 2.355 430 H GLY 53 H GLY 53 -9.797 -7.864 1.148 431 1HA GLY 53 1HA GLY 53 -11.704 -8.687 2.714 432 2HA GLY 53 2HA GLY 53 -12.694 -7.741 1.613 433 H ARG 54 H ARG 54 -10.518 -8.683 -0.456 434 HA ARG 54 HA ARG 54 -11.966 -11.146 -1.133 435 1HB ARG 54 1HB ARG 54 -10.149 -9.663 -3.009 436 2HB ARG 54 2HB ARG 54 -11.489 -10.733 -3.391 437 1HG ARG 54 1HG ARG 54 -11.839 -8.057 -2.065 438 2HG ARG 54 2HG ARG 54 -11.897 -8.298 -3.813 439 1HD ARG 54 1HD ARG 54 -13.915 -9.325 -3.742 440 2HD ARG 54 2HD ARG 54 -13.595 -10.083 -2.183 441 HE ARG 54 HE ARG 54 -13.862 -7.364 -1.716 442 1HH1 ARG 54 1HH1 ARG 54 -17.308 -9.298 -2.361 443 2HH1 ARG 54 2HH1 ARG 54 -15.817 -9.980 -2.921 444 1HH2 ARG 54 1HH2 ARG 54 -15.819 -6.453 -0.974 445 2HH2 ARG 54 2HH2 ARG 54 -17.309 -7.291 -1.255 446 H THR 55 H THR 55 -10.615 -12.787 -2.368 447 HA THR 55 HA THR 55 -8.175 -13.274 -0.830 448 HB THR 55 HB THR 55 -8.368 -15.582 -1.562 449 HG1 THR 55 HG1 THR 55 -10.448 -15.992 -2.791 450 1HG2 THR 55 1HG2 THR 55 -11.152 -15.490 -1.028 451 2HG2 THR 55 2HG2 THR 55 -10.344 -14.291 -0.018 452 3HG2 THR 55 3HG2 THR 55 -9.833 -15.978 0.037 453 H LEU 56 H LEU 56 -6.343 -14.329 -2.001 454 HA LEU 56 HA LEU 56 -5.480 -12.670 -4.128 455 1HB LEU 56 1HB LEU 56 -4.346 -15.252 -3.052 456 2HB LEU 56 2HB LEU 56 -3.536 -14.234 -4.227 457 HG LEU 56 HG LEU 56 -3.936 -13.807 -1.310 458 1HD1 LEU 56 1HD1 LEU 56 -1.707 -13.759 -1.285 459 2HD1 LEU 56 2HD1 LEU 56 -1.627 -12.659 -2.660 460 3HD1 LEU 56 3HD1 LEU 56 -1.797 -14.394 -2.928 461 1HD2 LEU 56 1HD2 LEU 56 -3.747 -11.590 -3.342 462 2HD2 LEU 56 2HD2 LEU 56 -3.441 -11.390 -1.617 463 3HD2 LEU 56 3HD2 LEU 56 -5.043 -11.865 -2.179 464 H SER 57 H SER 57 -6.743 -15.959 -3.982 465 HA SER 57 HA SER 57 -6.214 -16.785 -6.582 466 1HB SER 57 1HB SER 57 -7.176 -18.607 -5.698 467 2HB SER 57 2HB SER 57 -7.881 -17.652 -4.394 468 HG SER 57 HG SER 57 -8.978 -17.924 -6.997 469 H ASP 58 H ASP 58 -9.007 -14.996 -5.318 470 HA ASP 58 HA ASP 58 -10.624 -14.892 -7.524 471 1HB ASP 58 1HB ASP 58 -10.045 -12.640 -5.589 472 2HB ASP 58 2HB ASP 58 -11.428 -12.710 -6.677 473 H TYR 59 H TYR 59 -7.588 -13.266 -7.021 474 HA TYR 59 HA TYR 59 -7.941 -11.691 -9.464 475 1HB TYR 59 1HB TYR 59 -5.826 -11.621 -7.306 476 2HB TYR 59 2HB TYR 59 -5.761 -10.641 -8.769 477 HD1 TYR 59 HD1 TYR 59 -7.659 -8.994 -9.196 478 HD2 TYR 59 HD2 TYR 59 -7.054 -10.909 -5.435 479 HE1 TYR 59 HE1 TYR 59 -9.030 -7.264 -8.100 480 HE2 TYR 59 HE2 TYR 59 -8.424 -9.184 -4.330 481 HH TYR 59 HH TYR 59 -10.489 -7.244 -5.812 482 H ASN 60 H ASN 60 -7.416 -14.683 -9.225 483 HA ASN 60 HA ASN 60 -6.100 -16.298 -10.171 484 1HB ASN 60 1HB ASN 60 -5.518 -15.850 -12.531 485 2HB ASN 60 2HB ASN 60 -7.171 -15.375 -12.154 486 1HD2 ASN 60 1HD2 ASN 60 -3.899 -14.166 -12.600 487 2HD2 ASN 60 2HD2 ASN 60 -4.357 -12.571 -13.080 488 H LEU 61 H LEU 61 -4.665 -14.985 -8.258 489 HA LEU 61 HA LEU 61 -2.151 -14.051 -9.286 490 1HB LEU 61 1HB LEU 61 -3.121 -14.729 -6.517 491 2HB LEU 61 2HB LEU 61 -1.479 -14.206 -6.840 492 HG LEU 61 HG LEU 61 -3.995 -12.610 -7.331 493 1HD1 LEU 61 1HD1 LEU 61 -2.114 -12.826 -5.111 494 2HD1 LEU 61 2HD1 LEU 61 -3.739 -12.143 -5.161 495 3HD1 LEU 61 3HD1 LEU 61 -2.359 -11.173 -5.676 496 1HD2 LEU 61 1HD2 LEU 61 -2.709 -11.748 -8.985 497 2HD2 LEU 61 2HD2 LEU 61 -1.199 -12.257 -8.230 498 3HD2 LEU 61 3HD2 LEU 61 -2.043 -10.826 -7.638 499 H GLN 62 H GLN 62 -0.617 -15.325 -10.063 500 HA GLN 62 HA GLN 62 -0.540 -18.138 -9.254 501 1HB GLN 62 1HB GLN 62 0.561 -16.620 -11.602 502 2HB GLN 62 2HB GLN 62 1.173 -18.218 -11.197 503 1HG GLN 62 1HG GLN 62 -1.754 -17.980 -11.355 504 2HG GLN 62 2HG GLN 62 -0.881 -17.765 -12.872 505 1HE2 GLN 62 1HE2 GLN 62 -1.086 -19.925 -10.074 506 2HE2 GLN 62 2HE2 GLN 62 -0.787 -21.382 -10.955 507 H LYS 63 H LYS 63 1.802 -19.060 -9.276 508 HA LYS 63 HA LYS 63 3.182 -17.854 -7.110 509 1HB LYS 63 1HB LYS 63 3.140 -20.302 -7.574 510 2HB LYS 63 2HB LYS 63 4.165 -20.021 -8.976 511 1HG LYS 63 1HG LYS 63 6.016 -19.862 -7.738 512 2HG LYS 63 2HG LYS 63 5.221 -18.886 -6.500 513 1HD LYS 63 1HD LYS 63 4.539 -20.722 -5.296 514 2HD LYS 63 2HD LYS 63 4.545 -21.781 -6.708 515 1HE LYS 63 1HE LYS 63 7.057 -20.638 -5.510 516 2HE LYS 63 2HE LYS 63 6.369 -22.177 -4.996 517 1HZ LYS 63 1HZ LYS 63 8.085 -22.480 -6.670 518 2HZ LYS 63 2HZ LYS 63 7.228 -21.512 -7.760 519 3HZ LYS 63 3HZ LYS 63 6.583 -22.992 -7.257 520 H GLU 64 H GLU 64 4.531 -16.197 -7.173 521 HA GLU 64 HA GLU 64 6.355 -14.943 -7.814 522 1HB GLU 64 1HB GLU 64 6.379 -16.359 -10.471 523 2HB GLU 64 2HB GLU 64 7.700 -15.515 -9.674 524 1HG GLU 64 1HG GLU 64 6.723 -17.669 -8.033 525 2HG GLU 64 2HG GLU 64 7.170 -18.246 -9.638 526 H SER 65 H SER 65 4.612 -13.353 -7.776 527 HA SER 65 HA SER 65 3.987 -12.355 -10.477 528 1HB SER 65 1HB SER 65 2.283 -12.547 -8.023 529 2HB SER 65 2HB SER 65 1.996 -11.236 -9.167 530 HG SER 65 HG SER 65 1.504 -12.697 -10.729 531 H THR 66 H THR 66 4.172 -10.161 -10.853 532 HA THR 66 HA THR 66 5.702 -8.690 -8.824 533 HB THR 66 HB THR 66 5.394 -7.966 -11.737 534 HG1 THR 66 HG1 THR 66 7.193 -9.734 -10.481 535 1HG2 THR 66 1HG2 THR 66 7.645 -7.320 -9.858 536 2HG2 THR 66 2HG2 THR 66 6.285 -6.239 -10.164 537 3HG2 THR 66 3HG2 THR 66 7.367 -6.689 -11.481 538 H ILE 67 H ILE 67 4.076 -7.856 -7.546 539 HA ILE 67 HA ILE 67 1.965 -6.284 -8.817 540 HB ILE 67 HB ILE 67 2.386 -7.158 -5.962 541 1HG1 ILE 67 1HG1 ILE 67 0.067 -8.195 -6.495 542 2HG1 ILE 67 2HG1 ILE 67 0.502 -7.919 -8.179 543 1HG2 ILE 67 1HG2 ILE 67 0.253 -5.361 -7.102 544 2HG2 ILE 67 2HG2 ILE 67 1.445 -4.953 -5.868 545 3HG2 ILE 67 3HG2 ILE 67 0.171 -6.120 -5.512 546 1HD1 ILE 67 1HD1 ILE 67 2.684 -9.191 -7.506 547 2HD1 ILE 67 2HD1 ILE 67 1.204 -10.070 -7.889 548 3HD1 ILE 67 3HD1 ILE 67 1.665 -9.812 -6.207 549 H HIS 68 H HIS 68 1.720 -4.101 -8.564 550 HA HIS 68 HA HIS 68 4.073 -2.664 -7.595 551 1HB HIS 68 1HB HIS 68 1.734 -1.810 -9.306 552 2HB HIS 68 2HB HIS 68 2.981 -0.700 -8.745 553 HD1 HIS 68 HD1 HIS 68 4.358 -0.189 -10.738 554 HD2 HIS 68 HD2 HIS 68 3.468 -4.239 -10.461 555 HE1 HIS 68 HE1 HIS 68 5.622 -1.285 -12.615 556 HE2 HIS 68 HE2 HIS 68 5.145 -3.746 -12.368 557 H LEU 69 H LEU 69 4.066 -1.868 -5.610 558 HA LEU 69 HA LEU 69 1.493 -1.281 -4.320 559 1HB LEU 69 1HB LEU 69 2.742 -2.850 -3.053 560 2HB LEU 69 2HB LEU 69 4.219 -1.921 -3.222 561 HG LEU 69 HG LEU 69 2.719 -0.112 -1.916 562 1HD1 LEU 69 1HD1 LEU 69 0.767 -1.535 -1.756 563 2HD1 LEU 69 2HD1 LEU 69 1.454 -1.267 -0.154 564 3HD1 LEU 69 3HD1 LEU 69 1.723 -2.800 -0.982 565 1HD2 LEU 69 1HD2 LEU 69 4.840 -1.890 -1.316 566 2HD2 LEU 69 2HD2 LEU 69 3.755 -1.853 0.074 567 3HD2 LEU 69 3HD2 LEU 69 4.443 -0.353 -0.548 568 H VAL 70 H VAL 70 0.898 0.763 -4.323 569 HA VAL 70 HA VAL 70 2.963 2.849 -4.397 570 HB VAL 70 HB VAL 70 0.104 3.552 -4.768 571 1HG1 VAL 70 1HG1 VAL 70 1.469 5.390 -5.002 572 2HG1 VAL 70 2HG1 VAL 70 1.318 4.859 -6.678 573 3HG1 VAL 70 3HG1 VAL 70 2.768 4.463 -5.755 574 1HG2 VAL 70 1HG2 VAL 70 0.136 2.888 -7.124 575 2HG2 VAL 70 2HG2 VAL 70 0.275 1.489 -6.059 576 3HG2 VAL 70 3HG2 VAL 70 1.703 2.114 -6.884 577 H LEU 71 H LEU 71 2.722 4.725 -3.087 578 HA LEU 71 HA LEU 71 1.450 4.134 -0.509 579 1HB LEU 71 1HB LEU 71 3.996 4.922 -1.049 580 2HB LEU 71 2HB LEU 71 3.235 6.467 -0.725 581 HG LEU 71 HG LEU 71 4.217 5.655 1.310 582 1HD1 LEU 71 1HD1 LEU 71 1.775 6.620 1.194 583 2HD1 LEU 71 2HD1 LEU 71 2.445 6.020 2.710 584 3HD1 LEU 71 3HD1 LEU 71 1.349 5.008 1.769 585 1HD2 LEU 71 1HD2 LEU 71 4.443 3.340 0.946 586 2HD2 LEU 71 2HD2 LEU 71 2.710 3.129 0.696 587 3HD2 LEU 71 3HD2 LEU 71 3.331 3.499 2.304 588 H ARG 72 H ARG 72 -0.511 4.983 -0.292 589 HA ARG 72 HA ARG 72 -1.813 6.821 -1.779 590 1HB ARG 72 1HB ARG 72 -2.778 5.529 0.128 591 2HB ARG 72 2HB ARG 72 -2.033 6.677 1.232 592 1HG ARG 72 1HG ARG 72 -3.498 8.353 0.706 593 2HG ARG 72 2HG ARG 72 -3.822 7.713 -0.906 594 1HD ARG 72 1HD ARG 72 -5.321 6.132 -0.119 595 2HD ARG 72 2HD ARG 72 -4.657 6.170 1.514 596 HE ARG 72 HE ARG 72 -6.758 7.784 0.497 597 1HH1 ARG 72 1HH1 ARG 72 -4.688 9.079 3.670 598 2HH1 ARG 72 2HH1 ARG 72 -4.028 7.839 2.658 599 1HH2 ARG 72 1HH2 ARG 72 -7.638 9.418 1.824 600 2HH2 ARG 72 2HH2 ARG 72 -6.741 9.978 3.196 601 H LEU 73 H LEU 73 -0.868 8.640 -2.514 602 HA LEU 73 HA LEU 73 0.808 10.301 -0.922 603 1HB LEU 73 1HB LEU 73 -0.569 10.926 -3.533 604 2HB LEU 73 2HB LEU 73 0.748 11.839 -2.824 605 HG LEU 73 HG LEU 73 1.428 9.030 -3.162 606 1HD1 LEU 73 1HD1 LEU 73 0.175 10.475 -5.404 607 2HD1 LEU 73 2HD1 LEU 73 0.336 8.744 -5.113 608 3HD1 LEU 73 3HD1 LEU 73 1.697 9.658 -5.761 609 1HD2 LEU 73 1HD2 LEU 73 3.051 10.776 -2.687 610 2HD2 LEU 73 2HD2 LEU 73 2.627 11.599 -4.188 611 3HD2 LEU 73 3HD2 LEU 73 3.395 10.012 -4.239 612 H ARG 74 H ARG 74 -2.541 9.969 -1.179 613 HA ARG 74 HA ARG 74 -3.355 11.537 0.826 614 1HB ARG 74 1HB ARG 74 -2.498 13.228 -1.407 615 2HB ARG 74 2HB ARG 74 -4.125 13.587 -0.845 616 1HG ARG 74 1HG ARG 74 -3.409 14.431 1.116 617 2HG ARG 74 2HG ARG 74 -2.084 13.274 1.255 618 1HD ARG 74 1HD ARG 74 -0.622 14.622 0.187 619 2HD ARG 74 2HD ARG 74 -1.841 15.231 -0.932 620 HE ARG 74 HE ARG 74 -2.430 16.291 1.562 621 1HH1 ARG 74 1HH1 ARG 74 0.647 18.030 -0.317 622 2HH1 ARG 74 2HH1 ARG 74 0.159 16.428 -0.762 623 1HH2 ARG 74 1HH2 ARG 74 -1.797 18.400 2.157 624 2HH2 ARG 74 2HH2 ARG 74 -0.465 19.151 1.343 625 H GLY 75 H GLY 75 -4.635 12.474 -2.304 626 1HA GLY 75 1HA GLY 75 -6.985 10.768 -1.756 627 2HA GLY 75 2HA GLY 75 -7.075 12.342 -2.532 628 H GLY 76 H GLY 76 -4.400 10.477 -3.505 629 1HA GLY 76 1HA GLY 76 -3.859 9.675 -5.599 630 2HA GLY 76 2HA GLY 76 -5.297 8.694 -5.355 Start of MODEL 7 1 1H MET 1 1H MET 1 2.880 -20.271 -1.855 2 2H MET 1 2H MET 1 4.524 -19.917 -2.197 3 3H MET 1 3H MET 1 3.663 -21.036 -3.174 4 HA MET 1 HA MET 1 3.439 -19.319 -4.508 5 1HB MET 1 1HB MET 1 1.187 -19.676 -3.992 6 2HB MET 1 2HB MET 1 1.361 -19.040 -2.362 7 1HG MET 1 1HG MET 1 0.108 -17.463 -3.594 8 2HG MET 1 2HG MET 1 1.718 -16.782 -3.375 9 1HE MET 1 1HE MET 1 -1.004 -16.817 -5.379 10 2HE MET 1 2HE MET 1 -0.477 -16.609 -7.049 11 3HE MET 1 3HE MET 1 -0.059 -15.399 -5.836 12 H GLN 2 H GLN 2 5.178 -17.981 -4.603 13 HA GLN 2 HA GLN 2 5.657 -16.009 -2.538 14 1HB GLN 2 1HB GLN 2 7.354 -17.364 -4.110 15 2HB GLN 2 2HB GLN 2 7.156 -15.925 -5.101 16 1HG GLN 2 1HG GLN 2 8.824 -15.101 -3.878 17 2HG GLN 2 2HG GLN 2 7.586 -14.835 -2.651 18 1HE2 GLN 2 1HE2 GLN 2 7.901 -15.707 -0.729 19 2HE2 GLN 2 2HE2 GLN 2 9.025 -16.967 -0.361 20 H LEU 3 H LEU 3 5.851 -13.726 -2.992 21 HA LEU 3 HA LEU 3 4.382 -12.775 -5.338 22 1HB LEU 3 1HB LEU 3 3.789 -11.681 -2.601 23 2HB LEU 3 2HB LEU 3 2.910 -11.404 -4.092 24 HG LEU 3 HG LEU 3 3.052 -14.179 -2.995 25 1HD1 LEU 3 1HD1 LEU 3 1.208 -13.828 -1.541 26 2HD1 LEU 3 2HD1 LEU 3 1.022 -12.159 -2.076 27 3HD1 LEU 3 3HD1 LEU 3 2.430 -12.628 -1.124 28 1HD2 LEU 3 1HD2 LEU 3 0.995 -12.610 -4.544 29 2HD2 LEU 3 2HD2 LEU 3 0.805 -14.282 -4.015 30 3HD2 LEU 3 3HD2 LEU 3 2.065 -13.863 -5.175 31 H PHE 4 H PHE 4 5.541 -11.267 -6.318 32 HA PHE 4 HA PHE 4 7.645 -9.888 -4.837 33 1HB PHE 4 1HB PHE 4 7.070 -10.297 -7.759 34 2HB PHE 4 2HB PHE 4 8.205 -9.059 -7.231 35 HD1 PHE 4 HD1 PHE 4 10.193 -9.952 -8.132 36 HD2 PHE 4 HD2 PHE 4 7.717 -12.355 -5.626 37 HE1 PHE 4 HE1 PHE 4 11.979 -11.647 -8.000 38 HE2 PHE 4 HE2 PHE 4 9.498 -14.054 -5.489 39 HZ PHE 4 HZ PHE 4 11.632 -13.701 -6.677 40 H VAL 5 H VAL 5 6.936 -8.126 -3.803 41 HA VAL 5 HA VAL 5 5.013 -6.362 -5.143 42 HB VAL 5 HB VAL 5 5.897 -6.518 -2.262 43 1HG1 VAL 5 1HG1 VAL 5 3.957 -4.575 -3.509 44 2HG1 VAL 5 2HG1 VAL 5 5.575 -4.177 -2.930 45 3HG1 VAL 5 3HG1 VAL 5 4.338 -4.716 -1.793 46 1HG2 VAL 5 1HG2 VAL 5 4.075 -8.044 -3.531 47 2HG2 VAL 5 2HG2 VAL 5 3.058 -6.690 -3.036 48 3HG2 VAL 5 3HG2 VAL 5 3.964 -7.600 -1.828 49 H LYS 6 H LYS 6 6.082 -4.992 -6.453 50 HA LYS 6 HA LYS 6 8.521 -3.697 -5.463 51 1HB LYS 6 1HB LYS 6 9.106 -3.256 -7.681 52 2HB LYS 6 2HB LYS 6 8.356 -4.844 -7.765 53 1HG LYS 6 1HG LYS 6 6.195 -3.523 -8.305 54 2HG LYS 6 2HG LYS 6 7.307 -2.210 -8.698 55 1HD LYS 6 1HD LYS 6 7.832 -4.910 -9.837 56 2HD LYS 6 2HD LYS 6 6.527 -3.942 -10.528 57 1HE LYS 6 1HE LYS 6 8.324 -3.304 -11.825 58 2HE LYS 6 2HE LYS 6 8.319 -2.056 -10.580 59 1HZ LYS 6 1HZ LYS 6 10.046 -3.256 -9.406 60 2HZ LYS 6 2HZ LYS 6 10.545 -2.922 -10.988 61 3HZ LYS 6 3HZ LYS 6 10.035 -4.481 -10.572 62 H THR 7 H THR 7 8.758 -1.443 -5.478 63 HA THR 7 HA THR 7 6.215 0.044 -5.547 64 HB THR 7 HB THR 7 7.005 1.444 -3.794 65 HG1 THR 7 HG1 THR 7 9.112 1.368 -3.049 66 1HG2 THR 7 1HG2 THR 7 7.756 -0.160 -2.003 67 2HG2 THR 7 2HG2 THR 7 7.690 -1.422 -3.235 68 3HG2 THR 7 3HG2 THR 7 6.228 -0.537 -2.798 69 H LEU 8 H LEU 8 7.170 2.608 -5.422 70 HA LEU 8 HA LEU 8 8.020 3.017 -8.133 71 1HB LEU 8 1HB LEU 8 7.602 4.999 -5.893 72 2HB LEU 8 2HB LEU 8 7.860 5.413 -7.577 73 HG LEU 8 HG LEU 8 5.482 3.943 -6.437 74 1HD1 LEU 8 1HD1 LEU 8 4.301 5.976 -7.384 75 2HD1 LEU 8 2HD1 LEU 8 5.895 6.721 -7.503 76 3HD1 LEU 8 3HD1 LEU 8 5.265 6.229 -5.930 77 1HD2 LEU 8 1HD2 LEU 8 6.037 3.062 -8.630 78 2HD2 LEU 8 2HD2 LEU 8 6.108 4.697 -9.287 79 3HD2 LEU 8 3HD2 LEU 8 4.574 4.043 -8.712 80 H THR 9 H THR 9 9.740 2.131 -5.529 81 HA THR 9 HA THR 9 12.037 3.863 -6.086 82 HB THR 9 HB THR 9 13.011 2.829 -4.038 83 HG1 THR 9 HG1 THR 9 10.916 1.163 -4.367 84 1HG2 THR 9 1HG2 THR 9 10.291 3.781 -3.275 85 2HG2 THR 9 2HG2 THR 9 11.443 4.885 -4.026 86 3HG2 THR 9 3HG2 THR 9 11.848 4.089 -2.506 87 H GLY 10 H GLY 10 10.796 0.971 -7.110 88 1HA GLY 10 1HA GLY 10 11.808 -0.467 -8.655 89 2HA GLY 10 2HA GLY 10 13.377 0.171 -8.189 90 H LYS 11 H LYS 11 12.352 -0.308 -5.292 91 HA LYS 11 HA LYS 11 13.731 -2.733 -4.884 92 1HB LYS 11 1HB LYS 11 13.314 -0.829 -3.220 93 2HB LYS 11 2HB LYS 11 11.738 -1.562 -2.955 94 1HG LYS 11 1HG LYS 11 13.551 -3.661 -2.718 95 2HG LYS 11 2HG LYS 11 14.309 -2.298 -1.890 96 1HD LYS 11 1HD LYS 11 11.789 -2.079 -0.960 97 2HD LYS 11 2HD LYS 11 11.880 -3.824 -1.202 98 1HE LYS 11 1HE LYS 11 13.826 -2.162 0.396 99 2HE LYS 11 2HE LYS 11 12.552 -3.180 1.066 100 1HZ LYS 11 1HZ LYS 11 15.084 -3.976 0.628 101 2HZ LYS 11 2HZ LYS 11 14.313 -4.543 -0.767 102 3HZ LYS 11 3HZ LYS 11 13.758 -5.020 0.759 103 H THR 12 H THR 12 13.067 -4.807 -4.710 104 HA THR 12 HA THR 12 10.205 -5.332 -5.173 105 HB THR 12 HB THR 12 12.328 -7.355 -5.777 106 HG1 THR 12 HG1 THR 12 13.162 -5.896 -7.063 107 1HG2 THR 12 1HG2 THR 12 10.823 -8.036 -7.536 108 2HG2 THR 12 2HG2 THR 12 9.734 -6.702 -7.155 109 3HG2 THR 12 3HG2 THR 12 9.977 -8.003 -5.990 110 H LEU 13 H LEU 13 9.143 -6.245 -3.555 111 HA LEU 13 HA LEU 13 10.661 -7.512 -1.395 112 1HB LEU 13 1HB LEU 13 8.511 -5.736 -1.416 113 2HB LEU 13 2HB LEU 13 7.808 -7.271 -0.945 114 HG LEU 13 HG LEU 13 9.996 -5.740 0.450 115 1HD1 LEU 13 1HD1 LEU 13 8.320 -4.978 1.682 116 2HD1 LEU 13 2HD1 LEU 13 7.952 -6.632 2.174 117 3HD1 LEU 13 3HD1 LEU 13 7.166 -5.940 0.755 118 1HD2 LEU 13 1HD2 LEU 13 10.122 -7.602 2.033 119 2HD2 LEU 13 2HD2 LEU 13 10.627 -8.088 0.415 120 3HD2 LEU 13 3HD2 LEU 13 9.030 -8.539 1.014 121 H THR 14 H THR 14 10.589 -9.636 -1.011 122 HA THR 14 HA THR 14 8.714 -11.251 -2.605 123 HB THR 14 HB THR 14 11.362 -12.070 -1.394 124 HG1 THR 14 HG1 THR 14 10.666 -11.519 -4.086 125 1HG2 THR 14 1HG2 THR 14 10.374 -13.675 -3.583 126 2HG2 THR 14 2HG2 THR 14 9.293 -13.714 -2.189 127 3HG2 THR 14 3HG2 THR 14 10.989 -14.165 -2.004 128 H VAL 15 H VAL 15 6.979 -11.622 -1.351 129 HA VAL 15 HA VAL 15 7.443 -12.579 1.397 130 HB VAL 15 HB VAL 15 5.050 -11.953 1.805 131 1HG1 VAL 15 1HG1 VAL 15 7.019 -10.524 2.406 132 2HG1 VAL 15 2HG1 VAL 15 5.506 -9.647 2.182 133 3HG1 VAL 15 3HG1 VAL 15 6.736 -9.622 0.918 134 1HG2 VAL 15 1HG2 VAL 15 4.008 -10.360 0.235 135 2HG2 VAL 15 2HG2 VAL 15 4.243 -11.957 -0.476 136 3HG2 VAL 15 3HG2 VAL 15 5.335 -10.636 -0.893 137 H GLU 16 H GLU 16 6.237 -14.357 2.161 138 HA GLU 16 HA GLU 16 5.357 -16.165 0.024 139 1HB GLU 16 1HB GLU 16 6.972 -16.530 2.319 140 2HB GLU 16 2HB GLU 16 5.493 -17.441 2.591 141 1HG GLU 16 1HG GLU 16 6.908 -17.701 -0.017 142 2HG GLU 16 2HG GLU 16 7.534 -18.541 1.402 143 H LEU 17 H LEU 17 3.239 -16.009 -0.342 144 HA LEU 17 HA LEU 17 1.425 -16.318 1.936 145 1HB LEU 17 1HB LEU 17 1.759 -13.901 0.546 146 2HB LEU 17 2HB LEU 17 0.254 -14.580 -0.042 147 HG LEU 17 HG LEU 17 -0.544 -14.759 2.304 148 1HD1 LEU 17 1HD1 LEU 17 1.230 -14.870 3.731 149 2HD1 LEU 17 2HD1 LEU 17 0.865 -13.149 3.853 150 3HD1 LEU 17 3HD1 LEU 17 2.183 -13.700 2.818 151 1HD2 LEU 17 1HD2 LEU 17 -1.393 -12.886 1.271 152 2HD2 LEU 17 2HD2 LEU 17 0.195 -12.146 1.066 153 3HD2 LEU 17 3HD2 LEU 17 -0.566 -12.176 2.657 154 H GLU 18 H GLU 18 -0.451 -17.442 1.497 155 HA GLU 18 HA GLU 18 -0.420 -18.964 -0.981 156 1HB GLU 18 1HB GLU 18 -1.829 -19.250 1.649 157 2HB GLU 18 2HB GLU 18 -2.378 -20.150 0.247 158 1HG GLU 18 1HG GLU 18 -0.847 -21.679 0.638 159 2HG GLU 18 2HG GLU 18 0.418 -20.471 0.440 160 HA PRO 19 HA PRO 19 -3.612 -16.890 -3.170 161 1HB PRO 19 1HB PRO 19 -4.973 -19.532 -3.378 162 2HB PRO 19 2HB PRO 19 -4.524 -18.394 -4.653 163 1HG PRO 19 1HG PRO 19 -3.118 -20.622 -4.267 164 2HG PRO 19 2HG PRO 19 -2.313 -19.098 -4.685 165 1HD PRO 19 1HD PRO 19 -2.494 -20.490 -2.049 166 2HD PRO 19 2HD PRO 19 -1.152 -19.561 -2.746 167 H SER 20 H SER 20 -4.660 -19.271 -0.768 168 HA SER 20 HA SER 20 -7.304 -18.440 -0.467 169 1HB SER 20 1HB SER 20 -7.142 -19.463 1.815 170 2HB SER 20 2HB SER 20 -6.552 -20.510 0.526 171 HG SER 20 HG SER 20 -4.511 -19.053 1.364 172 H ASP 21 H ASP 21 -4.332 -17.166 0.897 173 HA ASP 21 HA ASP 21 -5.337 -15.544 2.908 174 1HB ASP 21 1HB ASP 21 -2.948 -15.302 1.100 175 2HB ASP 21 2HB ASP 21 -3.315 -14.040 2.272 176 H THR 22 H THR 22 -5.834 -13.296 2.981 177 HA THR 22 HA THR 22 -7.026 -12.315 0.477 178 HB THR 22 HB THR 22 -8.564 -11.035 1.827 179 HG1 THR 22 HG1 THR 22 -8.361 -10.820 3.969 180 1HG2 THR 22 1HG2 THR 22 -9.498 -13.133 1.607 181 2HG2 THR 22 2HG2 THR 22 -9.513 -12.880 3.353 182 3HG2 THR 22 3HG2 THR 22 -8.274 -13.898 2.618 183 H VAL 23 H VAL 23 -7.042 -9.941 0.188 184 HA VAL 23 HA VAL 23 -4.518 -8.851 0.093 185 HB VAL 23 HB VAL 23 -7.113 -7.321 0.332 186 1HG1 VAL 23 1HG1 VAL 23 -4.340 -6.488 -0.023 187 2HG1 VAL 23 2HG1 VAL 23 -5.758 -5.546 0.439 188 3HG1 VAL 23 3HG1 VAL 23 -5.427 -5.863 -1.264 189 1HG2 VAL 23 1HG2 VAL 23 -7.440 -7.568 -1.922 190 2HG2 VAL 23 2HG2 VAL 23 -6.692 -9.120 -1.544 191 3HG2 VAL 23 3HG2 VAL 23 -5.727 -7.826 -2.254 192 H GLU 24 H GLU 24 -6.794 -8.862 2.736 193 HA GLU 24 HA GLU 24 -5.664 -6.816 4.300 194 1HB GLU 24 1HB GLU 24 -7.903 -7.939 4.648 195 2HB GLU 24 2HB GLU 24 -7.030 -9.294 5.350 196 1HG GLU 24 1HG GLU 24 -6.197 -6.828 6.565 197 2HG GLU 24 2HG GLU 24 -7.949 -7.001 6.647 198 H ASN 25 H ASN 25 -5.139 -10.335 4.347 199 HA ASN 25 HA ASN 25 -3.236 -10.382 6.397 200 1HB ASN 25 1HB ASN 25 -3.339 -12.252 4.022 201 2HB ASN 25 2HB ASN 25 -2.652 -12.587 5.608 202 1HD2 ASN 25 1HD2 ASN 25 -3.957 -13.224 7.248 203 2HD2 ASN 25 2HD2 ASN 25 -5.649 -13.523 7.070 204 H LEU 26 H LEU 26 -2.740 -10.347 2.866 205 HA LEU 26 HA LEU 26 -0.003 -10.309 2.756 206 1HB LEU 26 1HB LEU 26 -1.265 -10.401 0.736 207 2HB LEU 26 2HB LEU 26 -2.024 -8.855 1.063 208 HG LEU 26 HG LEU 26 -0.050 -7.654 0.548 209 1HD1 LEU 26 1HD1 LEU 26 2.043 -8.991 -0.111 210 2HD1 LEU 26 2HD1 LEU 26 1.305 -10.315 0.790 211 3HD1 LEU 26 3HD1 LEU 26 1.680 -8.796 1.604 212 1HD2 LEU 26 1HD2 LEU 26 -1.315 -8.563 -1.381 213 2HD2 LEU 26 2HD2 LEU 26 -0.197 -9.926 -1.428 214 3HD2 LEU 26 3HD2 LEU 26 0.393 -8.291 -1.730 215 H LYS 27 H LYS 27 -2.127 -7.466 3.036 216 HA LYS 27 HA LYS 27 -0.170 -5.506 3.178 217 1HB LYS 27 1HB LYS 27 -2.790 -5.525 4.686 218 2HB LYS 27 2HB LYS 27 -1.838 -4.108 4.264 219 1HG LYS 27 1HG LYS 27 -2.477 -5.690 1.930 220 2HG LYS 27 2HG LYS 27 -3.927 -5.205 2.812 221 1HD LYS 27 1HD LYS 27 -2.917 -2.860 2.841 222 2HD LYS 27 2HD LYS 27 -1.788 -3.460 1.624 223 1HE LYS 27 1HE LYS 27 -3.468 -3.794 0.051 224 2HE LYS 27 2HE LYS 27 -4.740 -3.814 1.271 225 1HZ LYS 27 1HZ LYS 27 -3.155 -1.401 0.589 226 2HZ LYS 27 2HZ LYS 27 -4.534 -1.478 1.564 227 3HZ LYS 27 3HZ LYS 27 -4.659 -1.762 -0.098 228 H ALA 28 H ALA 28 -1.764 -7.196 5.883 229 HA ALA 28 HA ALA 28 -0.560 -6.107 8.042 230 1HB ALA 28 1HB ALA 28 -0.918 -8.128 9.219 231 2HB ALA 28 2HB ALA 28 -0.780 -9.094 7.748 232 3HB ALA 28 3HB ALA 28 -2.180 -8.048 7.990 233 H LYS 29 H LYS 29 0.843 -8.756 6.111 234 HA LYS 29 HA LYS 29 3.264 -8.973 7.466 235 1HB LYS 29 1HB LYS 29 2.319 -9.645 4.725 236 2HB LYS 29 2HB LYS 29 4.057 -9.619 4.993 237 1HG LYS 29 1HG LYS 29 3.677 -11.785 5.503 238 2HG LYS 29 2HG LYS 29 3.351 -11.093 7.094 239 1HD LYS 29 1HD LYS 29 0.977 -11.089 6.652 240 2HD LYS 29 2HD LYS 29 1.252 -11.645 5.000 241 1HE LYS 29 1HE LYS 29 2.077 -13.752 5.773 242 2HE LYS 29 2HE LYS 29 2.068 -13.199 7.447 243 1HZ LYS 29 1HZ LYS 29 -0.159 -13.470 7.625 244 2HZ LYS 29 2HZ LYS 29 0.118 -14.637 6.432 245 3HZ LYS 29 3HZ LYS 29 -0.464 -13.109 5.999 246 H ILE 30 H ILE 30 2.358 -6.889 4.750 247 HA ILE 30 HA ILE 30 4.888 -5.729 4.331 248 HB ILE 30 HB ILE 30 2.163 -4.530 3.818 249 1HG1 ILE 30 1HG1 ILE 30 4.015 -6.122 2.028 250 2HG1 ILE 30 2HG1 ILE 30 2.469 -6.669 2.671 251 1HG2 ILE 30 1HG2 ILE 30 4.778 -3.421 3.581 252 2HG2 ILE 30 2HG2 ILE 30 3.224 -2.690 3.180 253 3HG2 ILE 30 3HG2 ILE 30 4.096 -3.627 1.967 254 1HD1 ILE 30 1HD1 ILE 30 1.255 -5.260 1.281 255 2HD1 ILE 30 2HD1 ILE 30 2.558 -5.857 0.253 256 3HD1 ILE 30 3HD1 ILE 30 2.651 -4.236 0.942 257 H GLN 31 H GLN 31 2.581 -5.310 6.820 258 HA GLN 31 HA GLN 31 3.574 -2.686 7.597 259 1HB GLN 31 1HB GLN 31 1.132 -3.376 7.751 260 2HB GLN 31 2HB GLN 31 1.601 -4.408 9.097 261 1HG GLN 31 1HG GLN 31 2.533 -2.347 10.201 262 2HG GLN 31 2HG GLN 31 1.740 -1.413 8.932 263 1HE2 GLN 31 1HE2 GLN 31 1.293 -1.459 11.829 264 2HE2 GLN 31 2HE2 GLN 31 -0.379 -1.841 12.041 265 H ASP 32 H ASP 32 4.070 -6.012 8.334 266 HA ASP 32 HA ASP 32 5.355 -5.462 10.880 267 1HB ASP 32 1HB ASP 32 4.153 -7.734 9.662 268 2HB ASP 32 2HB ASP 32 5.820 -8.131 10.058 269 H LYS 33 H LYS 33 6.220 -5.404 7.655 270 HA LYS 33 HA LYS 33 9.054 -5.867 8.319 271 1HB LYS 33 1HB LYS 33 7.533 -6.396 5.773 272 2HB LYS 33 2HB LYS 33 9.288 -6.282 5.804 273 1HG LYS 33 1HG LYS 33 7.756 -8.190 7.547 274 2HG LYS 33 2HG LYS 33 8.303 -8.603 5.920 275 1HD LYS 33 1HD LYS 33 10.524 -7.485 7.217 276 2HD LYS 33 2HD LYS 33 9.779 -8.572 8.390 277 1HE LYS 33 1HE LYS 33 9.866 -10.399 6.813 278 2HE LYS 33 2HE LYS 33 10.487 -9.327 5.559 279 1HZ LYS 33 1HZ LYS 33 12.331 -8.925 7.370 280 2HZ LYS 33 2HZ LYS 33 12.419 -10.230 6.297 281 3HZ LYS 33 3HZ LYS 33 11.858 -10.469 7.876 282 H GLU 34 H GLU 34 6.955 -4.081 6.054 283 HA GLU 34 HA GLU 34 8.990 -1.986 5.872 284 1HB GLU 34 1HB GLU 34 6.567 -2.682 4.238 285 2HB GLU 34 2HB GLU 34 7.314 -1.095 4.106 286 1HG GLU 34 1HG GLU 34 7.986 -2.994 2.472 287 2HG GLU 34 2HG GLU 34 9.218 -1.918 3.130 288 H GLY 35 H GLY 35 6.760 -2.622 8.027 289 1HA GLY 35 1HA GLY 35 5.380 -1.408 9.412 290 2HA GLY 35 2HA GLY 35 6.556 -0.130 9.155 291 H ILE 36 H ILE 36 4.583 -1.472 6.589 292 HA ILE 36 HA ILE 36 3.347 1.166 6.251 293 HB ILE 36 HB ILE 36 3.090 -1.062 4.265 294 1HG1 ILE 36 1HG1 ILE 36 5.469 0.766 4.638 295 2HG1 ILE 36 2HG1 ILE 36 5.462 -0.995 4.692 296 1HG2 ILE 36 1HG2 ILE 36 2.469 0.558 2.798 297 2HG2 ILE 36 2HG2 ILE 36 3.506 1.780 3.536 298 3HG2 ILE 36 3HG2 ILE 36 1.973 1.351 4.293 299 1HD1 ILE 36 1HD1 ILE 36 6.330 -0.549 2.607 300 2HD1 ILE 36 2HD1 ILE 36 5.250 0.819 2.335 301 3HD1 ILE 36 3HD1 ILE 36 4.624 -0.828 2.257 302 HA PRO 37 HA PRO 37 -0.426 -0.683 7.775 303 1HB PRO 37 1HB PRO 37 -1.875 1.567 7.900 304 2HB PRO 37 2HB PRO 37 -0.560 1.251 9.039 305 1HG PRO 37 1HG PRO 37 -0.594 3.000 6.614 306 2HG PRO 37 2HG PRO 37 0.148 3.293 8.196 307 1HD PRO 37 1HD PRO 37 1.509 2.414 5.962 308 2HD PRO 37 2HD PRO 37 2.055 2.172 7.633 309 HA PRO 38 HA PRO 38 -2.751 -1.463 4.098 310 1HB PRO 38 1HB PRO 38 -5.220 -1.887 5.241 311 2HB PRO 38 2HB PRO 38 -3.931 -3.092 5.175 312 1HG PRO 38 1HG PRO 38 -4.724 -1.282 7.420 313 2HG PRO 38 2HG PRO 38 -4.234 -2.986 7.471 314 1HD PRO 38 1HD PRO 38 -2.547 -1.007 8.151 315 2HD PRO 38 2HD PRO 38 -1.982 -2.473 7.325 316 H ASP 39 H ASP 39 -3.665 1.015 6.358 317 HA ASP 39 HA ASP 39 -5.761 2.161 4.806 318 1HB ASP 39 1HB ASP 39 -4.104 3.691 6.797 319 2HB ASP 39 2HB ASP 39 -5.810 3.885 6.403 320 H GLN 40 H GLN 40 -2.308 2.393 4.768 321 HA GLN 40 HA GLN 40 -2.481 4.557 2.773 322 1HB GLN 40 1HB GLN 40 -0.011 3.867 4.352 323 2HB GLN 40 2HB GLN 40 -0.339 5.328 3.430 324 1HG GLN 40 1HG GLN 40 -2.173 5.822 5.077 325 2HG GLN 40 2HG GLN 40 -1.548 4.492 6.049 326 1HE2 GLN 40 1HE2 GLN 40 -0.627 7.547 4.538 327 2HE2 GLN 40 2HE2 GLN 40 0.560 7.979 5.716 328 H GLN 41 H GLN 41 -2.299 1.366 2.874 329 HA GLN 41 HA GLN 41 -0.091 1.023 0.999 330 1HB GLN 41 1HB GLN 41 -1.677 -0.743 2.752 331 2HB GLN 41 2HB GLN 41 -1.199 -1.443 1.212 332 1HG GLN 41 1HG GLN 41 1.159 -0.688 1.781 333 2HG GLN 41 2HG GLN 41 0.553 -0.407 3.413 334 1HE2 GLN 41 1HE2 GLN 41 0.107 -2.121 4.727 335 2HE2 GLN 41 2HE2 GLN 41 0.495 -3.756 4.325 336 H ARG 42 H ARG 42 -0.378 1.024 -1.126 337 HA ARG 42 HA ARG 42 -3.080 0.489 -2.175 338 1HB ARG 42 1HB ARG 42 -1.679 2.851 -2.395 339 2HB ARG 42 2HB ARG 42 -1.313 2.049 -3.916 340 1HG ARG 42 1HG ARG 42 -3.601 1.926 -4.509 341 2HG ARG 42 2HG ARG 42 -4.114 2.400 -2.888 342 1HD ARG 42 1HD ARG 42 -3.745 4.595 -3.267 343 2HD ARG 42 2HD ARG 42 -2.326 4.290 -4.267 344 HE ARG 42 HE ARG 42 -3.665 4.390 -6.112 345 1HH1 ARG 42 1HH1 ARG 42 -7.148 4.011 -4.175 346 2HH1 ARG 42 2HH1 ARG 42 -5.657 3.848 -3.309 347 1HH2 ARG 42 1HH2 ARG 42 -5.622 4.605 -7.265 348 2HH2 ARG 42 2HH2 ARG 42 -7.127 4.441 -6.426 349 H LEU 43 H LEU 43 -2.731 -1.687 -2.566 350 HA LEU 43 HA LEU 43 -0.461 -2.495 -4.194 351 1HB LEU 43 1HB LEU 43 -2.652 -3.986 -2.777 352 2HB LEU 43 2HB LEU 43 -1.599 -4.789 -3.927 353 HG LEU 43 HG LEU 43 -0.350 -3.254 -1.696 354 1HD1 LEU 43 1HD1 LEU 43 -0.997 -4.609 -0.050 355 2HD1 LEU 43 2HD1 LEU 43 -0.808 -6.050 -1.051 356 3HD1 LEU 43 3HD1 LEU 43 -2.300 -5.112 -1.128 357 1HD2 LEU 43 1HD2 LEU 43 0.637 -4.724 -3.759 358 2HD2 LEU 43 2HD2 LEU 43 0.596 -5.920 -2.463 359 3HD2 LEU 43 3HD2 LEU 43 1.490 -4.415 -2.247 360 H ILE 44 H ILE 44 -0.531 -3.008 -6.302 361 HA ILE 44 HA ILE 44 -3.144 -3.243 -7.619 362 HB ILE 44 HB ILE 44 -0.896 -1.439 -8.513 363 1HG1 ILE 44 1HG1 ILE 44 -3.406 -0.154 -8.574 364 2HG1 ILE 44 2HG1 ILE 44 -3.342 -1.031 -7.047 365 1HG2 ILE 44 1HG2 ILE 44 -2.890 -1.011 -10.297 366 2HG2 ILE 44 2HG2 ILE 44 -3.044 -2.748 -10.027 367 3HG2 ILE 44 3HG2 ILE 44 -1.511 -2.075 -10.579 368 1HD1 ILE 44 1HD1 ILE 44 -0.929 0.501 -7.735 369 2HD1 ILE 44 2HD1 ILE 44 -1.766 0.317 -6.192 370 3HD1 ILE 44 3HD1 ILE 44 -2.379 1.447 -7.399 371 H PHE 45 H PHE 45 -3.199 -5.112 -8.668 372 HA PHE 45 HA PHE 45 -0.679 -6.270 -9.640 373 1HB PHE 45 1HB PHE 45 -1.785 -7.747 -8.116 374 2HB PHE 45 2HB PHE 45 -3.329 -7.533 -8.932 375 HD1 PHE 45 HD1 PHE 45 -4.008 -9.471 -9.947 376 HD2 PHE 45 HD2 PHE 45 0.116 -8.399 -10.091 377 HE1 PHE 45 HE1 PHE 45 -3.546 -11.451 -11.343 378 HE2 PHE 45 HE2 PHE 45 0.586 -10.376 -11.488 379 HZ PHE 45 HZ PHE 45 -1.247 -11.904 -12.116 380 H ALA 46 H ALA 46 -0.291 -6.101 -11.738 381 HA ALA 46 HA ALA 46 -0.586 -5.764 -13.974 382 1HB ALA 46 1HB ALA 46 -2.939 -7.589 -13.495 383 2HB ALA 46 2HB ALA 46 -1.280 -8.097 -13.811 384 3HB ALA 46 3HB ALA 46 -2.196 -7.251 -15.058 385 H GLY 47 H GLY 47 -1.549 -3.647 -12.520 386 1HA GLY 47 1HA GLY 47 -2.791 -1.742 -12.858 387 2HA GLY 47 2HA GLY 47 -3.342 -2.448 -14.370 388 H LYS 48 H LYS 48 -3.833 -4.276 -11.496 389 HA LYS 48 HA LYS 48 -6.661 -3.447 -11.444 390 1HB LYS 48 1HB LYS 48 -5.760 -5.895 -12.285 391 2HB LYS 48 2HB LYS 48 -6.101 -6.201 -10.587 392 1HG LYS 48 1HG LYS 48 -8.359 -5.772 -10.827 393 2HG LYS 48 2HG LYS 48 -8.126 -4.826 -12.299 394 1HD LYS 48 1HD LYS 48 -8.498 -6.636 -13.535 395 2HD LYS 48 2HD LYS 48 -7.149 -7.462 -12.754 396 1HE LYS 48 1HE LYS 48 -8.503 -8.529 -11.237 397 2HE LYS 48 2HE LYS 48 -9.748 -7.284 -11.313 398 1HZ LYS 48 1HZ LYS 48 -9.167 -9.184 -13.518 399 2HZ LYS 48 2HZ LYS 48 -10.461 -8.099 -13.424 400 3HZ LYS 48 3HZ LYS 48 -10.384 -9.416 -12.366 401 H GLN 49 H GLN 49 -6.587 -2.147 -9.664 402 HA GLN 49 HA GLN 49 -5.107 -2.560 -7.343 403 1HB GLN 49 1HB GLN 49 -6.662 -0.558 -8.212 404 2HB GLN 49 2HB GLN 49 -7.779 -1.291 -7.070 405 1HG GLN 49 1HG GLN 49 -5.401 -1.154 -5.672 406 2HG GLN 49 2HG GLN 49 -5.443 0.348 -6.593 407 1HE2 GLN 49 1HE2 GLN 49 -6.261 -1.010 -3.741 408 2HE2 GLN 49 2HE2 GLN 49 -7.557 0.033 -3.272 409 H LEU 50 H LEU 50 -5.324 -3.838 -5.612 410 HA LEU 50 HA LEU 50 -7.359 -5.869 -5.618 411 1HB LEU 50 1HB LEU 50 -5.368 -5.321 -3.425 412 2HB LEU 50 2HB LEU 50 -6.186 -6.831 -3.783 413 HG LEU 50 HG LEU 50 -3.996 -5.522 -5.388 414 1HD1 LEU 50 1HD1 LEU 50 -2.962 -6.672 -3.674 415 2HD1 LEU 50 2HD1 LEU 50 -3.029 -7.890 -4.948 416 3HD1 LEU 50 3HD1 LEU 50 -4.199 -7.928 -3.630 417 1HD2 LEU 50 1HD2 LEU 50 -6.105 -7.266 -6.263 418 2HD2 LEU 50 2HD2 LEU 50 -4.542 -8.072 -6.406 419 3HD2 LEU 50 3HD2 LEU 50 -4.809 -6.518 -7.198 420 H GLU 51 H GLU 51 -8.744 -6.337 -3.783 421 HA GLU 51 HA GLU 51 -9.497 -3.932 -2.259 422 1HB GLU 51 1HB GLU 51 -11.299 -5.933 -3.623 423 2HB GLU 51 2HB GLU 51 -11.871 -4.799 -2.407 424 1HG GLU 51 1HG GLU 51 -10.926 -2.968 -3.891 425 2HG GLU 51 2HG GLU 51 -10.778 -4.208 -5.136 426 H ASP 52 H ASP 52 -9.359 -4.219 -0.142 427 HA ASP 52 HA ASP 52 -8.572 -6.493 1.158 428 1HB ASP 52 1HB ASP 52 -8.651 -4.214 2.158 429 2HB ASP 52 2HB ASP 52 -10.396 -4.381 2.326 430 H GLY 53 H GLY 53 -9.586 -8.150 2.304 431 1HA GLY 53 1HA GLY 53 -11.423 -9.413 3.063 432 2HA GLY 53 2HA GLY 53 -12.489 -8.400 2.101 433 H ARG 54 H ARG 54 -10.471 -8.817 -0.182 434 HA ARG 54 HA ARG 54 -11.764 -11.216 -1.200 435 1HB ARG 54 1HB ARG 54 -11.073 -8.817 -2.366 436 2HB ARG 54 2HB ARG 54 -9.815 -9.902 -2.945 437 1HG ARG 54 1HG ARG 54 -11.511 -9.977 -4.562 438 2HG ARG 54 2HG ARG 54 -11.680 -11.470 -3.636 439 1HD ARG 54 1HD ARG 54 -13.405 -10.243 -2.242 440 2HD ARG 54 2HD ARG 54 -13.361 -8.982 -3.473 441 HE ARG 54 HE ARG 54 -13.819 -11.226 -4.910 442 1HH1 ARG 54 1HH1 ARG 54 -16.908 -10.471 -2.479 443 2HH1 ARG 54 2HH1 ARG 54 -15.341 -9.834 -2.105 444 1HH2 ARG 54 1HH2 ARG 54 -15.878 -12.070 -5.413 445 2HH2 ARG 54 2HH2 ARG 54 -17.213 -11.744 -4.359 446 H THR 55 H THR 55 -10.592 -12.951 -2.164 447 HA THR 55 HA THR 55 -8.112 -13.524 -0.752 448 HB THR 55 HB THR 55 -8.414 -15.815 -1.697 449 HG1 THR 55 HG1 THR 55 -9.836 -14.752 -3.464 450 1HG2 THR 55 1HG2 THR 55 -10.903 -15.997 -0.643 451 2HG2 THR 55 2HG2 THR 55 -10.314 -14.510 0.100 452 3HG2 THR 55 3HG2 THR 55 -9.408 -16.012 0.291 453 H LEU 56 H LEU 56 -6.146 -13.567 -1.660 454 HA LEU 56 HA LEU 56 -5.497 -12.298 -3.988 455 1HB LEU 56 1HB LEU 56 -4.062 -14.578 -2.631 456 2HB LEU 56 2HB LEU 56 -3.366 -13.639 -3.937 457 HG LEU 56 HG LEU 56 -4.306 -12.357 -1.383 458 1HD1 LEU 56 1HD1 LEU 56 -1.696 -13.689 -2.005 459 2HD1 LEU 56 2HD1 LEU 56 -2.701 -13.831 -0.563 460 3HD1 LEU 56 3HD1 LEU 56 -1.793 -12.349 -0.863 461 1HD2 LEU 56 1HD2 LEU 56 -3.181 -11.440 -3.867 462 2HD2 LEU 56 2HD2 LEU 56 -2.129 -11.021 -2.515 463 3HD2 LEU 56 3HD2 LEU 56 -3.816 -10.508 -2.511 464 H SER 57 H SER 57 -6.597 -15.579 -3.585 465 HA SER 57 HA SER 57 -5.839 -16.534 -6.150 466 1HB SER 57 1HB SER 57 -8.090 -17.993 -5.300 467 2HB SER 57 2HB SER 57 -6.395 -18.440 -5.110 468 HG SER 57 HG SER 57 -7.943 -16.904 -3.291 469 H ASP 58 H ASP 58 -8.372 -14.508 -5.051 470 HA ASP 58 HA ASP 58 -10.274 -15.076 -7.093 471 1HB ASP 58 1HB ASP 58 -9.906 -12.865 -5.101 472 2HB ASP 58 2HB ASP 58 -11.084 -12.685 -6.398 473 H TYR 59 H TYR 59 -7.345 -13.319 -7.016 474 HA TYR 59 HA TYR 59 -8.044 -11.819 -9.438 475 1HB TYR 59 1HB TYR 59 -5.700 -11.577 -7.545 476 2HB TYR 59 2HB TYR 59 -5.867 -10.640 -9.026 477 HD1 TYR 59 HD1 TYR 59 -6.315 -10.523 -5.593 478 HD2 TYR 59 HD2 TYR 59 -8.302 -9.455 -9.209 479 HE1 TYR 59 HE1 TYR 59 -7.629 -8.838 -4.366 480 HE2 TYR 59 HE2 TYR 59 -9.621 -7.767 -7.994 481 HH TYR 59 HH TYR 59 -9.719 -6.567 -6.029 482 H ASN 60 H ASN 60 -7.605 -14.696 -9.448 483 HA ASN 60 HA ASN 60 -6.289 -16.330 -10.408 484 1HB ASN 60 1HB ASN 60 -5.859 -15.796 -12.831 485 2HB ASN 60 2HB ASN 60 -7.520 -15.541 -12.306 486 1HD2 ASN 60 1HD2 ASN 60 -4.471 -13.914 -12.963 487 2HD2 ASN 60 2HD2 ASN 60 -5.163 -12.383 -13.363 488 H LEU 61 H LEU 61 -4.751 -14.567 -8.721 489 HA LEU 61 HA LEU 61 -2.357 -13.736 -9.953 490 1HB LEU 61 1HB LEU 61 -3.352 -14.094 -7.217 491 2HB LEU 61 2HB LEU 61 -1.620 -14.314 -7.379 492 HG LEU 61 HG LEU 61 -2.898 -11.883 -8.562 493 1HD1 LEU 61 1HD1 LEU 61 -2.997 -12.577 -5.782 494 2HD1 LEU 61 2HD1 LEU 61 -3.608 -11.137 -6.598 495 3HD1 LEU 61 3HD1 LEU 61 -1.942 -11.183 -6.020 496 1HD2 LEU 61 1HD2 LEU 61 -0.330 -12.836 -8.473 497 2HD2 LEU 61 2HD2 LEU 61 -0.362 -11.685 -7.137 498 3HD2 LEU 61 3HD2 LEU 61 -0.795 -11.160 -8.764 499 H GLN 62 H GLN 62 -0.533 -14.782 -10.489 500 HA GLN 62 HA GLN 62 -0.494 -17.686 -10.121 501 1HB GLN 62 1HB GLN 62 0.797 -15.805 -12.060 502 2HB GLN 62 2HB GLN 62 1.511 -17.388 -11.788 503 1HG GLN 62 1HG GLN 62 -0.543 -18.468 -12.464 504 2HG GLN 62 2HG GLN 62 -1.332 -16.903 -12.650 505 1HE2 GLN 62 1HE2 GLN 62 -1.670 -18.024 -14.810 506 2HE2 GLN 62 2HE2 GLN 62 -0.494 -17.695 -16.033 507 H LYS 63 H LYS 63 2.089 -18.352 -10.264 508 HA LYS 63 HA LYS 63 3.054 -17.709 -7.654 509 1HB LYS 63 1HB LYS 63 3.569 -19.693 -9.660 510 2HB LYS 63 2HB LYS 63 5.095 -18.995 -9.135 511 1HG LYS 63 1HG LYS 63 4.997 -19.981 -7.132 512 2HG LYS 63 2HG LYS 63 3.272 -19.653 -6.947 513 1HD LYS 63 1HD LYS 63 2.815 -21.769 -7.443 514 2HD LYS 63 2HD LYS 63 3.577 -21.563 -9.021 515 1HE LYS 63 1HE LYS 63 5.547 -21.844 -6.925 516 2HE LYS 63 2HE LYS 63 4.431 -23.208 -6.942 517 1HZ LYS 63 1HZ LYS 63 5.512 -22.323 -9.508 518 2HZ LYS 63 2HZ LYS 63 5.144 -23.884 -8.970 519 3HZ LYS 63 3HZ LYS 63 6.569 -23.130 -8.461 520 H GLU 64 H GLU 64 4.816 -16.504 -7.048 521 HA GLU 64 HA GLU 64 6.137 -14.638 -7.132 522 1HB GLU 64 1HB GLU 64 7.186 -15.794 -9.705 523 2HB GLU 64 2HB GLU 64 8.063 -14.888 -8.480 524 1HG GLU 64 1HG GLU 64 7.674 -16.806 -6.917 525 2HG GLU 64 2HG GLU 64 7.041 -17.708 -8.295 526 H SER 65 H SER 65 3.761 -13.840 -7.945 527 HA SER 65 HA SER 65 3.759 -12.720 -10.586 528 1HB SER 65 1HB SER 65 1.933 -12.443 -8.203 529 2HB SER 65 2HB SER 65 1.696 -11.492 -9.669 530 HG SER 65 HG SER 65 2.017 -13.940 -10.491 531 H THR 66 H THR 66 3.504 -10.390 -10.995 532 HA THR 66 HA THR 66 5.279 -8.838 -9.238 533 HB THR 66 HB THR 66 4.599 -8.267 -12.125 534 HG1 THR 66 HG1 THR 66 6.881 -9.568 -11.058 535 1HG2 THR 66 1HG2 THR 66 5.797 -6.623 -10.287 536 2HG2 THR 66 2HG2 THR 66 5.946 -6.505 -12.041 537 3HG2 THR 66 3HG2 THR 66 7.166 -7.373 -11.107 538 H ILE 67 H ILE 67 4.167 -7.590 -7.890 539 HA ILE 67 HA ILE 67 1.759 -6.223 -8.905 540 HB ILE 67 HB ILE 67 2.462 -7.072 -6.098 541 1HG1 ILE 67 1HG1 ILE 67 -0.024 -8.001 -6.557 542 2HG1 ILE 67 2HG1 ILE 67 0.595 -8.007 -8.206 543 1HG2 ILE 67 1HG2 ILE 67 1.499 -4.828 -6.059 544 2HG2 ILE 67 2HG2 ILE 67 0.385 -6.015 -5.380 545 3HG2 ILE 67 3HG2 ILE 67 0.128 -5.397 -7.011 546 1HD1 ILE 67 1HD1 ILE 67 2.534 -9.156 -6.448 547 2HD1 ILE 67 2HD1 ILE 67 1.701 -9.879 -7.824 548 3HD1 ILE 67 3HD1 ILE 67 0.971 -9.939 -6.219 549 H HIS 68 H HIS 68 1.535 -4.035 -8.604 550 HA HIS 68 HA HIS 68 3.981 -2.617 -7.831 551 1HB HIS 68 1HB HIS 68 1.579 -1.392 -9.175 552 2HB HIS 68 2HB HIS 68 3.235 -0.796 -9.146 553 HD1 HIS 68 HD1 HIS 68 2.034 -0.988 -11.846 554 HD2 HIS 68 HD2 HIS 68 3.929 -4.223 -10.055 555 HE1 HIS 68 HE1 HIS 68 2.707 -2.505 -13.737 556 HE2 HIS 68 HE2 HIS 68 3.932 -4.410 -12.635 557 H LEU 69 H LEU 69 4.022 -2.092 -5.742 558 HA LEU 69 HA LEU 69 1.542 -1.325 -4.393 559 1HB LEU 69 1HB LEU 69 2.796 -2.947 -3.190 560 2HB LEU 69 2HB LEU 69 4.286 -2.046 -3.390 561 HG LEU 69 HG LEU 69 3.130 -0.216 -1.982 562 1HD1 LEU 69 1HD1 LEU 69 1.133 -0.597 -1.081 563 2HD1 LEU 69 2HD1 LEU 69 1.604 -2.208 -0.541 564 3HD1 LEU 69 3HD1 LEU 69 0.996 -1.971 -2.179 565 1HD2 LEU 69 1HD2 LEU 69 3.568 -1.778 0.127 566 2HD2 LEU 69 2HD2 LEU 69 4.876 -1.131 -0.862 567 3HD2 LEU 69 3HD2 LEU 69 4.316 -2.784 -1.113 568 H VAL 70 H VAL 70 1.015 0.732 -4.297 569 HA VAL 70 HA VAL 70 3.176 2.731 -4.177 570 HB VAL 70 HB VAL 70 0.592 3.695 -5.179 571 1HG1 VAL 70 1HG1 VAL 70 2.025 5.320 -5.682 572 2HG1 VAL 70 2HG1 VAL 70 2.633 4.282 -6.972 573 3HG1 VAL 70 3HG1 VAL 70 3.414 4.273 -5.392 574 1HG2 VAL 70 1HG2 VAL 70 2.217 1.782 -6.852 575 2HG2 VAL 70 2HG2 VAL 70 0.890 2.785 -7.440 576 3HG2 VAL 70 3HG2 VAL 70 0.579 1.514 -6.257 577 H LEU 71 H LEU 71 2.826 4.566 -2.901 578 HA LEU 71 HA LEU 71 1.463 4.115 -0.478 579 1HB LEU 71 1HB LEU 71 3.206 6.102 -1.591 580 2HB LEU 71 2HB LEU 71 1.878 6.892 -0.766 581 HG LEU 71 HG LEU 71 2.903 4.774 0.874 582 1HD1 LEU 71 1HD1 LEU 71 4.983 5.008 -0.316 583 2HD1 LEU 71 2HD1 LEU 71 5.144 5.719 1.290 584 3HD1 LEU 71 3HD1 LEU 71 4.937 6.759 -0.119 585 1HD2 LEU 71 1HD2 LEU 71 2.822 6.375 2.525 586 2HD2 LEU 71 2HD2 LEU 71 1.652 7.009 1.367 587 3HD2 LEU 71 3HD2 LEU 71 3.283 7.679 1.430 588 H ARG 72 H ARG 72 -0.241 5.494 0.447 589 HA ARG 72 HA ARG 72 -2.297 6.063 -1.571 590 1HB ARG 72 1HB ARG 72 -2.363 4.669 0.892 591 2HB ARG 72 2HB ARG 72 -3.318 6.129 1.108 592 1HG ARG 72 1HG ARG 72 -4.453 5.463 -1.099 593 2HG ARG 72 2HG ARG 72 -3.737 3.875 -0.815 594 1HD ARG 72 1HD ARG 72 -5.185 3.390 0.826 595 2HD ARG 72 2HD ARG 72 -5.077 5.006 1.525 596 HE ARG 72 HE ARG 72 -6.551 5.421 -0.689 597 1HH1 ARG 72 1HH1 ARG 72 -8.518 2.979 1.798 598 2HH1 ARG 72 2HH1 ARG 72 -6.794 3.111 1.904 599 1HH2 ARG 72 1HH2 ARG 72 -8.820 5.257 -0.837 600 2HH2 ARG 72 2HH2 ARG 72 -9.670 4.199 0.240 601 H LEU 73 H LEU 73 -3.034 8.071 -1.885 602 HA LEU 73 HA LEU 73 -2.010 10.186 -0.122 603 1HB LEU 73 1HB LEU 73 -2.514 9.977 -3.011 604 2HB LEU 73 2HB LEU 73 -3.035 11.487 -2.291 605 HG LEU 73 HG LEU 73 -0.856 11.911 -3.038 606 1HD1 LEU 73 1HD1 LEU 73 0.126 11.214 -0.388 607 2HD1 LEU 73 2HD1 LEU 73 -1.434 12.036 -0.358 608 3HD1 LEU 73 3HD1 LEU 73 -0.053 12.792 -1.153 609 1HD2 LEU 73 1HD2 LEU 73 0.894 10.105 -1.910 610 2HD2 LEU 73 2HD2 LEU 73 0.373 10.137 -3.594 611 3HD2 LEU 73 3HD2 LEU 73 -0.456 9.099 -2.435 612 H ARG 74 H ARG 74 -3.469 12.136 0.060 613 HA ARG 74 HA ARG 74 -5.801 11.509 1.394 614 1HB ARG 74 1HB ARG 74 -4.388 13.827 0.828 615 2HB ARG 74 2HB ARG 74 -5.957 14.108 0.085 616 1HG ARG 74 1HG ARG 74 -6.819 14.601 2.059 617 2HG ARG 74 2HG ARG 74 -6.383 13.003 2.667 618 1HD ARG 74 1HD ARG 74 -4.624 13.789 3.809 619 2HD ARG 74 2HD ARG 74 -4.128 14.851 2.492 620 HE ARG 74 HE ARG 74 -6.445 15.866 3.754 621 1HH1 ARG 74 1HH1 ARG 74 -2.877 16.853 5.274 622 2HH1 ARG 74 2HH1 ARG 74 -3.018 15.479 4.229 623 1HH2 ARG 74 1HH2 ARG 74 -6.272 17.676 5.128 624 2HH2 ARG 74 2HH2 ARG 74 -4.727 18.103 5.786 625 H GLY 75 H GLY 75 -7.801 10.952 0.807 626 1HA GLY 75 1HA GLY 75 -9.731 10.832 -0.475 627 2HA GLY 75 2HA GLY 75 -8.948 11.829 -1.691 628 H GLY 76 H GLY 76 -8.424 10.872 -3.546 629 1HA GLY 76 1HA GLY 76 -7.576 9.195 -4.939 630 2HA GLY 76 2HA GLY 76 -7.627 8.076 -3.584 Start of MODEL 8 1 1H MET 1 1H MET 1 2.993 -19.129 -1.201 2 2H MET 1 2H MET 1 3.456 -20.741 -1.563 3 3H MET 1 3H MET 1 1.928 -20.149 -2.074 4 HA MET 1 HA MET 1 4.138 -20.246 -3.559 5 1HB MET 1 1HB MET 1 2.834 -18.713 -5.047 6 2HB MET 1 2HB MET 1 1.896 -20.055 -4.405 7 1HG MET 1 1HG MET 1 0.551 -18.718 -3.187 8 2HG MET 1 2HG MET 1 1.834 -17.560 -2.839 9 1HE MET 1 1HE MET 1 -1.330 -17.189 -3.690 10 2HE MET 1 2HE MET 1 -1.272 -15.771 -4.737 11 3HE MET 1 3HE MET 1 -0.386 -15.778 -3.212 12 H GLN 2 H GLN 2 5.123 -18.367 -4.803 13 HA GLN 2 HA GLN 2 6.099 -16.386 -2.862 14 1HB GLN 2 1HB GLN 2 7.442 -18.084 -4.688 15 2HB GLN 2 2HB GLN 2 7.652 -16.438 -5.273 16 1HG GLN 2 1HG GLN 2 9.460 -17.179 -3.777 17 2HG GLN 2 2HG GLN 2 8.607 -15.756 -3.181 18 1HE2 GLN 2 1HE2 GLN 2 9.526 -16.332 -1.119 19 2HE2 GLN 2 2HE2 GLN 2 8.751 -17.527 -0.142 20 H LEU 3 H LEU 3 5.866 -14.249 -3.217 21 HA LEU 3 HA LEU 3 4.887 -13.363 -5.840 22 1HB LEU 3 1HB LEU 3 3.740 -12.456 -3.199 23 2HB LEU 3 2HB LEU 3 3.240 -11.916 -4.790 24 HG LEU 3 HG LEU 3 3.044 -14.817 -4.074 25 1HD1 LEU 3 1HD1 LEU 3 1.809 -14.097 -2.293 26 2HD1 LEU 3 2HD1 LEU 3 0.569 -14.092 -3.547 27 3HD1 LEU 3 3HD1 LEU 3 1.353 -12.585 -3.077 28 1HD2 LEU 3 1HD2 LEU 3 0.902 -14.230 -5.575 29 2HD2 LEU 3 2HD2 LEU 3 2.463 -14.686 -6.255 30 3HD2 LEU 3 3HD2 LEU 3 2.012 -12.986 -6.147 31 H PHE 4 H PHE 4 5.627 -11.397 -6.514 32 HA PHE 4 HA PHE 4 7.618 -10.112 -4.774 33 1HB PHE 4 1HB PHE 4 7.457 -9.551 -7.705 34 2HB PHE 4 2HB PHE 4 8.861 -9.557 -6.644 35 HD1 PHE 4 HD1 PHE 4 6.914 -11.420 -8.996 36 HD2 PHE 4 HD2 PHE 4 9.733 -11.789 -5.818 37 HE1 PHE 4 HE1 PHE 4 7.475 -13.694 -9.765 38 HE2 PHE 4 HE2 PHE 4 10.300 -14.063 -6.581 39 HZ PHE 4 HZ PHE 4 9.172 -15.018 -8.557 40 H VAL 5 H VAL 5 6.962 -8.311 -3.823 41 HA VAL 5 HA VAL 5 4.964 -6.632 -5.188 42 HB VAL 5 HB VAL 5 5.612 -6.414 -2.265 43 1HG1 VAL 5 1HG1 VAL 5 2.950 -5.981 -3.556 44 2HG1 VAL 5 2HG1 VAL 5 4.203 -4.744 -3.664 45 3HG1 VAL 5 3HG1 VAL 5 3.612 -5.266 -2.085 46 1HG2 VAL 5 1HG2 VAL 5 3.590 -8.289 -3.490 47 2HG2 VAL 5 2HG2 VAL 5 3.795 -7.968 -1.768 48 3HG2 VAL 5 3HG2 VAL 5 5.080 -8.766 -2.676 49 H LYS 6 H LYS 6 5.972 -5.051 -6.260 50 HA LYS 6 HA LYS 6 8.373 -3.828 -5.141 51 1HB LYS 6 1HB LYS 6 8.758 -2.896 -7.276 52 2HB LYS 6 2HB LYS 6 8.156 -4.519 -7.583 53 1HG LYS 6 1HG LYS 6 5.947 -3.628 -8.068 54 2HG LYS 6 2HG LYS 6 6.517 -1.996 -7.714 55 1HD LYS 6 1HD LYS 6 7.777 -3.722 -9.830 56 2HD LYS 6 2HD LYS 6 6.405 -2.664 -10.164 57 1HE LYS 6 1HE LYS 6 9.066 -1.792 -9.042 58 2HE LYS 6 2HE LYS 6 8.549 -1.602 -10.718 59 1HZ LYS 6 1HZ LYS 6 8.194 0.443 -9.569 60 2HZ LYS 6 2HZ LYS 6 7.341 -0.324 -8.326 61 3HZ LYS 6 3HZ LYS 6 6.679 -0.241 -9.880 62 H THR 7 H THR 7 8.545 -1.681 -4.578 63 HA THR 7 HA THR 7 5.989 -0.298 -4.153 64 HB THR 7 HB THR 7 7.196 1.020 -2.459 65 HG1 THR 7 HG1 THR 7 9.349 -0.116 -3.665 66 1HG2 THR 7 1HG2 THR 7 6.444 -0.609 -1.146 67 2HG2 THR 7 2HG2 THR 7 8.100 -1.218 -1.181 68 3HG2 THR 7 3HG2 THR 7 6.896 -1.869 -2.295 69 H LEU 8 H LEU 8 6.782 2.273 -3.823 70 HA LEU 8 HA LEU 8 7.288 3.076 -6.553 71 1HB LEU 8 1HB LEU 8 5.888 4.147 -4.365 72 2HB LEU 8 2HB LEU 8 7.197 5.268 -4.686 73 HG LEU 8 HG LEU 8 5.005 5.752 -5.848 74 1HD1 LEU 8 1HD1 LEU 8 7.638 5.500 -7.230 75 2HD1 LEU 8 2HD1 LEU 8 6.771 6.947 -6.715 76 3HD1 LEU 8 3HD1 LEU 8 6.225 6.048 -8.130 77 1HD2 LEU 8 1HD2 LEU 8 5.600 3.904 -8.018 78 2HD2 LEU 8 2HD2 LEU 8 4.059 4.307 -7.260 79 3HD2 LEU 8 3HD2 LEU 8 5.111 3.095 -6.529 80 H THR 9 H THR 9 9.254 2.284 -4.031 81 HA THR 9 HA THR 9 11.292 4.287 -4.701 82 HB THR 9 HB THR 9 12.434 3.578 -2.661 83 HG1 THR 9 HG1 THR 9 10.320 1.703 -2.485 84 1HG2 THR 9 1HG2 THR 9 10.668 5.276 -2.431 85 2HG2 THR 9 2HG2 THR 9 10.869 4.288 -0.983 86 3HG2 THR 9 3HG2 THR 9 9.514 3.991 -2.072 87 H GLY 10 H GLY 10 10.522 1.913 -6.343 88 1HA GLY 10 1HA GLY 10 11.547 0.272 -7.578 89 2HA GLY 10 2HA GLY 10 13.019 1.194 -7.310 90 H LYS 11 H LYS 11 10.972 -0.570 -5.004 91 HA LYS 11 HA LYS 11 13.307 -2.258 -4.381 92 1HB LYS 11 1HB LYS 11 12.204 -0.457 -2.679 93 2HB LYS 11 2HB LYS 11 11.264 -1.888 -2.280 94 1HG LYS 11 1HG LYS 11 13.652 -3.007 -2.197 95 2HG LYS 11 2HG LYS 11 14.156 -1.344 -1.891 96 1HD LYS 11 1HD LYS 11 13.757 -2.498 0.206 97 2HD LYS 11 2HD LYS 11 12.561 -1.220 -0.024 98 1HE LYS 11 1HE LYS 11 10.850 -2.674 -0.152 99 2HE LYS 11 2HE LYS 11 11.780 -3.841 -1.091 100 1HZ LYS 11 1HZ LYS 11 12.443 -4.928 0.751 101 2HZ LYS 11 2HZ LYS 11 11.045 -4.252 1.421 102 3HZ LYS 11 3HZ LYS 11 12.549 -3.529 1.697 103 H THR 12 H THR 12 13.022 -4.360 -4.708 104 HA THR 12 HA THR 12 10.313 -5.362 -5.161 105 HB THR 12 HB THR 12 12.798 -6.989 -5.573 106 HG1 THR 12 HG1 THR 12 13.349 -5.893 -7.288 107 1HG2 THR 12 1HG2 THR 12 11.317 -7.498 -7.702 108 2HG2 THR 12 2HG2 THR 12 10.027 -7.003 -6.606 109 3HG2 THR 12 3HG2 THR 12 11.087 -8.343 -6.172 110 H LEU 13 H LEU 13 9.274 -6.314 -3.565 111 HA LEU 13 HA LEU 13 10.822 -7.583 -1.412 112 1HB LEU 13 1HB LEU 13 9.516 -6.113 -0.273 113 2HB LEU 13 2HB LEU 13 8.278 -6.081 -1.514 114 HG LEU 13 HG LEU 13 7.510 -8.325 -0.706 115 1HD1 LEU 13 1HD1 LEU 13 9.921 -8.248 0.716 116 2HD1 LEU 13 2HD1 LEU 13 8.662 -9.480 0.796 117 3HD1 LEU 13 3HD1 LEU 13 8.641 -8.122 1.923 118 1HD2 LEU 13 1HD2 LEU 13 6.461 -6.174 -0.031 119 2HD2 LEU 13 2HD2 LEU 13 7.479 -6.180 1.408 120 3HD2 LEU 13 3HD2 LEU 13 6.290 -7.460 1.165 121 H THR 14 H THR 14 10.714 -9.721 -1.115 122 HA THR 14 HA THR 14 8.762 -11.226 -2.722 123 HB THR 14 HB THR 14 11.279 -12.366 -1.525 124 HG1 THR 14 HG1 THR 14 11.072 -10.570 -3.536 125 1HG2 THR 14 1HG2 THR 14 9.615 -13.170 -3.897 126 2HG2 THR 14 2HG2 THR 14 9.733 -14.017 -2.355 127 3HG2 THR 14 3HG2 THR 14 11.138 -13.919 -3.417 128 H VAL 15 H VAL 15 7.080 -11.900 -1.579 129 HA VAL 15 HA VAL 15 7.549 -12.884 1.160 130 HB VAL 15 HB VAL 15 5.072 -12.273 1.510 131 1HG1 VAL 15 1HG1 VAL 15 7.224 -11.106 2.366 132 2HG1 VAL 15 2HG1 VAL 15 5.679 -10.265 2.487 133 3HG1 VAL 15 3HG1 VAL 15 6.806 -9.856 1.194 134 1HG2 VAL 15 1HG2 VAL 15 5.703 -10.496 -0.847 135 2HG2 VAL 15 2HG2 VAL 15 4.264 -10.392 0.169 136 3HG2 VAL 15 3HG2 VAL 15 4.539 -11.821 -0.828 137 H GLU 16 H GLU 16 6.385 -14.710 1.824 138 HA GLU 16 HA GLU 16 5.296 -16.304 -0.393 139 1HB GLU 16 1HB GLU 16 5.692 -17.969 1.834 140 2HB GLU 16 2HB GLU 16 6.649 -17.910 0.362 141 1HG GLU 16 1HG GLU 16 8.121 -16.256 1.361 142 2HG GLU 16 2HG GLU 16 7.142 -16.257 2.828 143 H LEU 17 H LEU 17 3.200 -16.757 -0.427 144 HA LEU 17 HA LEU 17 1.703 -16.970 2.056 145 1HB LEU 17 1HB LEU 17 1.470 -14.738 0.174 146 2HB LEU 17 2HB LEU 17 -0.057 -15.502 0.571 147 HG LEU 17 HG LEU 17 1.465 -15.058 2.972 148 1HD1 LEU 17 1HD1 LEU 17 2.553 -13.273 1.777 149 2HD1 LEU 17 2HD1 LEU 17 1.405 -12.597 2.934 150 3HD1 LEU 17 3HD1 LEU 17 0.997 -12.657 1.219 151 1HD2 LEU 17 1HD2 LEU 17 -1.211 -14.704 1.908 152 2HD2 LEU 17 2HD2 LEU 17 -0.735 -13.406 3.002 153 3HD2 LEU 17 3HD2 LEU 17 -0.685 -15.082 3.547 154 H GLU 18 H GLU 18 -0.831 -17.118 1.098 155 HA GLU 18 HA GLU 18 -0.758 -19.155 -1.017 156 1HB GLU 18 1HB GLU 18 -2.628 -19.507 1.283 157 2HB GLU 18 2HB GLU 18 -1.958 -20.715 0.199 158 1HG GLU 18 1HG GLU 18 -0.362 -21.174 1.643 159 2HG GLU 18 2HG GLU 18 0.147 -19.490 1.682 160 HA PRO 19 HA PRO 19 -4.015 -16.980 -3.010 161 1HB PRO 19 1HB PRO 19 -5.319 -19.650 -3.262 162 2HB PRO 19 2HB PRO 19 -4.970 -18.447 -4.507 163 1HG PRO 19 1HG PRO 19 -3.480 -20.642 -4.284 164 2HG PRO 19 2HG PRO 19 -2.743 -19.078 -4.678 165 1HD PRO 19 1HD PRO 19 -2.730 -20.588 -2.107 166 2HD PRO 19 2HD PRO 19 -1.471 -19.561 -2.821 167 H SER 20 H SER 20 -4.579 -19.057 -0.308 168 HA SER 20 HA SER 20 -7.355 -18.462 0.024 169 1HB SER 20 1HB SER 20 -7.217 -19.684 2.059 170 2HB SER 20 2HB SER 20 -6.127 -20.497 0.937 171 HG SER 20 HG SER 20 -4.611 -20.143 2.330 172 H ASP 21 H ASP 21 -4.371 -16.959 1.017 173 HA ASP 21 HA ASP 21 -5.442 -15.378 3.116 174 1HB ASP 21 1HB ASP 21 -2.979 -15.033 1.402 175 2HB ASP 21 2HB ASP 21 -3.365 -14.002 2.775 176 H THR 22 H THR 22 -5.915 -13.140 3.124 177 HA THR 22 HA THR 22 -6.891 -12.157 0.528 178 HB THR 22 HB THR 22 -8.537 -10.883 1.716 179 HG1 THR 22 HG1 THR 22 -6.864 -11.354 3.860 180 1HG2 THR 22 1HG2 THR 22 -9.368 -13.053 1.497 181 2HG2 THR 22 2HG2 THR 22 -9.639 -12.633 3.189 182 3HG2 THR 22 3HG2 THR 22 -8.294 -13.685 2.745 183 H VAL 23 H VAL 23 -6.795 -9.822 0.172 184 HA VAL 23 HA VAL 23 -4.321 -8.736 0.199 185 HB VAL 23 HB VAL 23 -6.921 -7.229 0.499 186 1HG1 VAL 23 1HG1 VAL 23 -5.125 -5.767 1.134 187 2HG1 VAL 23 2HG1 VAL 23 -5.669 -5.323 -0.483 188 3HG1 VAL 23 3HG1 VAL 23 -4.181 -6.244 -0.276 189 1HG2 VAL 23 1HG2 VAL 23 -7.152 -7.303 -1.767 190 2HG2 VAL 23 2HG2 VAL 23 -6.305 -8.831 -1.522 191 3HG2 VAL 23 3HG2 VAL 23 -5.414 -7.405 -2.052 192 H GLU 24 H GLU 24 -6.763 -8.289 2.746 193 HA GLU 24 HA GLU 24 -5.506 -6.536 4.414 194 1HB GLU 24 1HB GLU 24 -7.749 -7.920 4.646 195 2HB GLU 24 2HB GLU 24 -6.746 -8.951 5.658 196 1HG GLU 24 1HG GLU 24 -6.426 -6.149 6.312 197 2HG GLU 24 2HG GLU 24 -8.104 -6.677 6.441 198 H ASN 25 H ASN 25 -5.150 -10.085 4.603 199 HA ASN 25 HA ASN 25 -3.193 -10.180 6.556 200 1HB ASN 25 1HB ASN 25 -3.333 -12.041 4.177 201 2HB ASN 25 2HB ASN 25 -2.680 -12.397 5.773 202 1HD2 ASN 25 1HD2 ASN 25 -4.668 -11.271 7.350 203 2HD2 ASN 25 2HD2 ASN 25 -6.116 -12.193 7.161 204 H LEU 26 H LEU 26 -2.712 -10.168 3.021 205 HA LEU 26 HA LEU 26 0.040 -10.153 2.944 206 1HB LEU 26 1HB LEU 26 -1.413 -10.294 0.959 207 2HB LEU 26 2HB LEU 26 -1.827 -8.602 1.147 208 HG LEU 26 HG LEU 26 0.410 -7.916 0.614 209 1HD1 LEU 26 1HD1 LEU 26 1.012 -10.769 1.103 210 2HD1 LEU 26 2HD1 LEU 26 1.960 -9.326 1.468 211 3HD1 LEU 26 3HD1 LEU 26 1.926 -9.965 -0.175 212 1HD2 LEU 26 1HD2 LEU 26 0.184 -9.962 -1.470 213 2HD2 LEU 26 2HD2 LEU 26 0.174 -8.203 -1.597 214 3HD2 LEU 26 3HD2 LEU 26 -1.303 -9.064 -1.163 215 H LYS 27 H LYS 27 -2.164 -7.490 3.579 216 HA LYS 27 HA LYS 27 -0.236 -5.418 3.502 217 1HB LYS 27 1HB LYS 27 -2.839 -5.518 5.038 218 2HB LYS 27 2HB LYS 27 -1.916 -4.070 4.663 219 1HG LYS 27 1HG LYS 27 -2.246 -4.989 2.186 220 2HG LYS 27 2HG LYS 27 -3.676 -5.702 2.938 221 1HD LYS 27 1HD LYS 27 -4.629 -3.661 3.383 222 2HD LYS 27 2HD LYS 27 -3.073 -2.831 3.450 223 1HE LYS 27 1HE LYS 27 -2.859 -3.005 1.032 224 2HE LYS 27 2HE LYS 27 -4.384 -3.888 0.947 225 1HZ LYS 27 1HZ LYS 27 -4.196 -1.156 2.072 226 2HZ LYS 27 2HZ LYS 27 -5.584 -1.990 1.582 227 3HZ LYS 27 3HZ LYS 27 -4.477 -1.441 0.427 228 H ALA 28 H ALA 28 -1.652 -7.268 6.189 229 HA ALA 28 HA ALA 28 -0.404 -6.092 8.330 230 1HB ALA 28 1HB ALA 28 -0.721 -8.136 9.529 231 2HB ALA 28 2HB ALA 28 -0.767 -9.070 8.033 232 3HB ALA 28 3HB ALA 28 -2.076 -7.953 8.415 233 H LYS 29 H LYS 29 0.910 -8.420 6.038 234 HA LYS 29 HA LYS 29 3.373 -8.831 7.404 235 1HB LYS 29 1HB LYS 29 2.279 -9.473 4.712 236 2HB LYS 29 2HB LYS 29 4.028 -9.479 4.894 237 1HG LYS 29 1HG LYS 29 3.631 -11.014 6.900 238 2HG LYS 29 2HG LYS 29 1.997 -11.205 6.262 239 1HD LYS 29 1HD LYS 29 2.900 -12.011 4.147 240 2HD LYS 29 2HD LYS 29 4.543 -11.783 4.751 241 1HE LYS 29 1HE LYS 29 2.899 -13.396 6.528 242 2HE LYS 29 2HE LYS 29 3.051 -14.097 4.918 243 1HZ LYS 29 1HZ LYS 29 4.977 -14.894 5.668 244 2HZ LYS 29 2HZ LYS 29 5.017 -13.850 6.998 245 3HZ LYS 29 3HZ LYS 29 5.580 -13.322 5.494 246 H ILE 30 H ILE 30 2.376 -6.733 4.724 247 HA ILE 30 HA ILE 30 4.906 -5.607 4.210 248 HB ILE 30 HB ILE 30 2.161 -4.426 3.764 249 1HG1 ILE 30 1HG1 ILE 30 3.974 -6.187 2.147 250 2HG1 ILE 30 2HG1 ILE 30 2.243 -6.340 2.435 251 1HG2 ILE 30 1HG2 ILE 30 3.920 -2.711 3.820 252 2HG2 ILE 30 2HG2 ILE 30 3.227 -2.900 2.209 253 3HG2 ILE 30 3HG2 ILE 30 4.806 -3.595 2.578 254 1HD1 ILE 30 1HD1 ILE 30 2.216 -5.646 0.277 255 2HD1 ILE 30 2HD1 ILE 30 3.699 -4.705 0.441 256 3HD1 ILE 30 3HD1 ILE 30 2.180 -4.077 1.082 257 H GLN 31 H GLN 31 2.710 -5.158 6.785 258 HA GLN 31 HA GLN 31 3.625 -2.506 7.486 259 1HB GLN 31 1HB GLN 31 1.294 -3.302 7.922 260 2HB GLN 31 2HB GLN 31 1.945 -4.421 9.112 261 1HG GLN 31 1HG GLN 31 2.951 -2.355 10.233 262 2HG GLN 31 2HG GLN 31 1.854 -1.429 9.208 263 1HE2 GLN 31 1HE2 GLN 31 1.844 -1.538 12.058 264 2HE2 GLN 31 2HE2 GLN 31 0.322 -2.195 12.543 265 H ASP 32 H ASP 32 4.095 -5.821 8.607 266 HA ASP 32 HA ASP 32 5.904 -4.966 10.706 267 1HB ASP 32 1HB ASP 32 4.339 -7.289 10.168 268 2HB ASP 32 2HB ASP 32 6.019 -7.766 10.380 269 H LYS 33 H LYS 33 6.276 -5.081 7.532 270 HA LYS 33 HA LYS 33 9.034 -6.106 7.692 271 1HB LYS 33 1HB LYS 33 7.022 -6.276 5.461 272 2HB LYS 33 2HB LYS 33 8.746 -6.438 5.155 273 1HG LYS 33 1HG LYS 33 8.883 -8.384 6.523 274 2HG LYS 33 2HG LYS 33 7.233 -8.156 7.107 275 1HD LYS 33 1HD LYS 33 6.310 -9.026 5.234 276 2HD LYS 33 2HD LYS 33 7.551 -8.346 4.179 277 1HE LYS 33 1HE LYS 33 8.069 -10.659 6.032 278 2HE LYS 33 2HE LYS 33 7.498 -10.872 4.378 279 1HZ LYS 33 1HZ LYS 33 9.617 -10.801 3.773 280 2HZ LYS 33 2HZ LYS 33 10.126 -10.322 5.313 281 3HZ LYS 33 3HZ LYS 33 9.636 -9.159 4.186 282 H GLU 34 H GLU 34 7.139 -4.089 5.442 283 HA GLU 34 HA GLU 34 9.414 -2.287 5.184 284 1HB GLU 34 1HB GLU 34 6.913 -1.683 3.736 285 2HB GLU 34 2HB GLU 34 8.574 -1.693 3.160 286 1HG GLU 34 1HG GLU 34 8.438 -4.222 3.252 287 2HG GLU 34 2HG GLU 34 6.700 -4.016 3.470 288 H GLY 35 H GLY 35 6.972 -2.556 7.313 289 1HA GLY 35 1HA GLY 35 5.966 -1.115 8.786 290 2HA GLY 35 2HA GLY 35 7.272 -0.002 8.406 291 H ILE 36 H ILE 36 4.731 -1.273 6.282 292 HA ILE 36 HA ILE 36 3.870 1.508 5.824 293 HB ILE 36 HB ILE 36 3.586 -0.845 3.953 294 1HG1 ILE 36 1HG1 ILE 36 5.461 1.525 3.796 295 2HG1 ILE 36 2HG1 ILE 36 5.937 -0.104 4.266 296 1HG2 ILE 36 1HG2 ILE 36 2.485 1.857 3.984 297 2HG2 ILE 36 2HG2 ILE 36 1.979 0.435 3.072 298 3HG2 ILE 36 3HG2 ILE 36 3.301 1.440 2.477 299 1HD1 ILE 36 1HD1 ILE 36 6.260 -0.628 2.149 300 2HD1 ILE 36 2HD1 ILE 36 5.803 1.009 1.680 301 3HD1 ILE 36 3HD1 ILE 36 4.577 -0.255 1.780 302 HA PRO 37 HA PRO 37 0.101 0.245 7.886 303 1HB PRO 37 1HB PRO 37 -0.880 2.792 6.735 304 2HB PRO 37 2HB PRO 37 -0.855 2.253 8.416 305 1HG PRO 37 1HG PRO 37 0.839 4.125 7.546 306 2HG PRO 37 2HG PRO 37 1.346 2.906 8.730 307 1HD PRO 37 1HD PRO 37 1.897 3.039 5.791 308 2HD PRO 37 2HD PRO 37 2.975 2.559 7.119 309 HA PRO 38 HA PRO 38 -2.047 -1.628 4.475 310 1HB PRO 38 1HB PRO 38 -4.300 -1.737 6.402 311 2HB PRO 38 2HB PRO 38 -3.524 -3.044 5.502 312 1HG PRO 38 1HG PRO 38 -3.104 -2.739 8.121 313 2HG PRO 38 2HG PRO 38 -1.798 -3.251 7.036 314 1HD PRO 38 1HD PRO 38 -2.313 -0.567 8.251 315 2HD PRO 38 2HD PRO 38 -0.772 -1.408 7.986 316 H ASP 39 H ASP 39 -3.384 1.001 6.378 317 HA ASP 39 HA ASP 39 -5.586 1.571 4.683 318 1HB ASP 39 1HB ASP 39 -4.521 2.580 7.116 319 2HB ASP 39 2HB ASP 39 -4.688 3.941 6.010 320 H GLN 40 H GLN 40 -2.237 2.116 4.373 321 HA GLN 40 HA GLN 40 -2.727 4.041 2.197 322 1HB GLN 40 1HB GLN 40 -0.078 3.795 3.584 323 2HB GLN 40 2HB GLN 40 -0.721 5.148 2.663 324 1HG GLN 40 1HG GLN 40 -2.385 5.503 4.482 325 2HG GLN 40 2HG GLN 40 -1.552 4.260 5.414 326 1HE2 GLN 40 1HE2 GLN 40 -1.309 6.023 6.966 327 2HE2 GLN 40 2HE2 GLN 40 0.025 7.107 6.793 328 H GLN 41 H GLN 41 -2.581 1.014 2.294 329 HA GLN 41 HA GLN 41 -0.272 0.566 0.544 330 1HB GLN 41 1HB GLN 41 -1.982 -1.195 2.240 331 2HB GLN 41 2HB GLN 41 -1.206 -1.896 0.826 332 1HG GLN 41 1HG GLN 41 0.971 -1.057 1.691 333 2HG GLN 41 2HG GLN 41 0.136 -0.559 3.161 334 1HE2 GLN 41 1HE2 GLN 41 0.213 -1.945 4.762 335 2HE2 GLN 41 2HE2 GLN 41 0.412 -3.656 4.626 336 H ARG 42 H ARG 42 -0.831 1.218 -1.471 337 HA ARG 42 HA ARG 42 -3.398 0.333 -2.575 338 1HB ARG 42 1HB ARG 42 -2.304 2.759 -2.731 339 2HB ARG 42 2HB ARG 42 -1.530 2.045 -4.139 340 1HG ARG 42 1HG ARG 42 -3.621 1.609 -5.175 341 2HG ARG 42 2HG ARG 42 -4.504 2.015 -3.701 342 1HD ARG 42 1HD ARG 42 -2.735 4.136 -4.679 343 2HD ARG 42 2HD ARG 42 -4.052 3.724 -5.776 344 HE ARG 42 HE ARG 42 -4.261 5.124 -3.307 345 1HH1 ARG 42 1HH1 ARG 42 -7.507 3.360 -4.850 346 2HH1 ARG 42 2HH1 ARG 42 -5.932 2.899 -5.402 347 1HH2 ARG 42 1HH2 ARG 42 -6.332 5.738 -2.572 348 2HH2 ARG 42 2HH2 ARG 42 -7.734 4.975 -3.241 349 H LEU 43 H LEU 43 -3.160 -1.752 -3.199 350 HA LEU 43 HA LEU 43 -0.779 -2.578 -4.651 351 1HB LEU 43 1HB LEU 43 -3.224 -4.141 -3.821 352 2HB LEU 43 2HB LEU 43 -1.794 -4.826 -4.569 353 HG LEU 43 HG LEU 43 -1.699 -3.372 -1.933 354 1HD1 LEU 43 1HD1 LEU 43 -2.377 -5.175 -0.804 355 2HD1 LEU 43 2HD1 LEU 43 -1.498 -6.281 -1.859 356 3HD1 LEU 43 3HD1 LEU 43 -3.093 -5.694 -2.330 357 1HD2 LEU 43 1HD2 LEU 43 0.420 -4.463 -1.673 358 2HD2 LEU 43 2HD2 LEU 43 0.402 -3.651 -3.239 359 3HD2 LEU 43 3HD2 LEU 43 0.173 -5.398 -3.148 360 H ILE 44 H ILE 44 -0.639 -2.561 -6.788 361 HA ILE 44 HA ILE 44 -3.130 -2.600 -8.365 362 HB ILE 44 HB ILE 44 -0.580 -1.110 -8.998 363 1HG1 ILE 44 1HG1 ILE 44 -3.327 -0.226 -8.118 364 2HG1 ILE 44 2HG1 ILE 44 -1.780 0.114 -7.350 365 1HG2 ILE 44 1HG2 ILE 44 -2.384 -2.198 -10.783 366 2HG2 ILE 44 2HG2 ILE 44 -1.245 -0.892 -11.113 367 3HG2 ILE 44 3HG2 ILE 44 -2.901 -0.518 -10.636 368 1HD1 ILE 44 1HD1 ILE 44 -3.013 1.355 -9.756 369 2HD1 ILE 44 2HD1 ILE 44 -1.257 1.327 -9.593 370 3HD1 ILE 44 3HD1 ILE 44 -2.245 2.112 -8.362 371 H PHE 45 H PHE 45 -2.733 -4.965 -8.285 372 HA PHE 45 HA PHE 45 -0.470 -6.051 -9.661 373 1HB PHE 45 1HB PHE 45 -1.500 -7.400 -7.968 374 2HB PHE 45 2HB PHE 45 -3.077 -7.267 -8.740 375 HD1 PHE 45 HD1 PHE 45 0.282 -8.104 -10.130 376 HD2 PHE 45 HD2 PHE 45 -3.720 -9.380 -9.392 377 HE1 PHE 45 HE1 PHE 45 0.719 -10.184 -11.378 378 HE2 PHE 45 HE2 PHE 45 -3.290 -11.463 -10.638 379 HZ PHE 45 HZ PHE 45 -1.068 -11.867 -11.632 380 H ALA 46 H ALA 46 -0.185 -5.987 -11.780 381 HA ALA 46 HA ALA 46 -0.584 -5.846 -14.018 382 1HB ALA 46 1HB ALA 46 -1.252 -7.938 -14.411 383 2HB ALA 46 2HB ALA 46 -2.891 -7.289 -14.470 384 3HB ALA 46 3HB ALA 46 -2.266 -7.973 -12.969 385 H GLY 47 H GLY 47 -1.577 -3.667 -12.560 386 1HA GLY 47 1HA GLY 47 -2.764 -1.762 -13.155 387 2HA GLY 47 2HA GLY 47 -3.525 -2.677 -14.448 388 H LYS 48 H LYS 48 -4.036 -4.663 -12.018 389 HA LYS 48 HA LYS 48 -6.686 -3.571 -11.487 390 1HB LYS 48 1HB LYS 48 -5.526 -6.217 -11.676 391 2HB LYS 48 2HB LYS 48 -6.437 -6.036 -10.183 392 1HG LYS 48 1HG LYS 48 -8.430 -5.538 -11.341 393 2HG LYS 48 2HG LYS 48 -7.570 -5.305 -12.866 394 1HD LYS 48 1HD LYS 48 -7.021 -7.663 -12.952 395 2HD LYS 48 2HD LYS 48 -7.772 -7.921 -11.376 396 1HE LYS 48 1HE LYS 48 -9.269 -6.850 -13.757 397 2HE LYS 48 2HE LYS 48 -9.158 -8.570 -13.388 398 1HZ LYS 48 1HZ LYS 48 -11.027 -8.136 -12.243 399 2HZ LYS 48 2HZ LYS 48 -10.691 -6.488 -12.069 400 3HZ LYS 48 3HZ LYS 48 -9.957 -7.612 -11.040 401 H GLN 49 H GLN 49 -7.102 -2.466 -9.702 402 HA GLN 49 HA GLN 49 -5.192 -2.359 -7.549 403 1HB GLN 49 1HB GLN 49 -7.752 -0.943 -8.190 404 2HB GLN 49 2HB GLN 49 -7.097 -0.855 -6.561 405 1HG GLN 49 1HG GLN 49 -5.384 0.477 -7.169 406 2HG GLN 49 2HG GLN 49 -5.210 -0.282 -8.752 407 1HE2 GLN 49 1HE2 GLN 49 -6.615 0.362 -10.439 408 2HE2 GLN 49 2HE2 GLN 49 -7.389 1.907 -10.407 409 H LEU 50 H LEU 50 -5.126 -4.072 -6.222 410 HA LEU 50 HA LEU 50 -7.106 -5.900 -5.676 411 1HB LEU 50 1HB LEU 50 -4.969 -4.944 -3.771 412 2HB LEU 50 2HB LEU 50 -5.866 -6.444 -3.630 413 HG LEU 50 HG LEU 50 -3.783 -5.709 -5.670 414 1HD1 LEU 50 1HD1 LEU 50 -3.503 -8.310 -4.613 415 2HD1 LEU 50 2HD1 LEU 50 -3.825 -7.226 -3.259 416 3HD1 LEU 50 3HD1 LEU 50 -2.473 -6.904 -4.345 417 1HD2 LEU 50 1HD2 LEU 50 -5.554 -6.687 -6.949 418 2HD2 LEU 50 2HD2 LEU 50 -5.771 -7.972 -5.761 419 3HD2 LEU 50 3HD2 LEU 50 -4.299 -7.906 -6.729 420 H GLU 51 H GLU 51 -8.559 -6.203 -3.932 421 HA GLU 51 HA GLU 51 -9.295 -3.738 -2.499 422 1HB GLU 51 1HB GLU 51 -11.134 -5.726 -3.834 423 2HB GLU 51 2HB GLU 51 -11.685 -4.490 -2.711 424 1HG GLU 51 1HG GLU 51 -10.144 -3.133 -4.598 425 2HG GLU 51 2HG GLU 51 -11.101 -4.293 -5.519 426 H ASP 52 H ASP 52 -9.070 -4.016 -0.391 427 HA ASP 52 HA ASP 52 -8.454 -6.281 0.975 428 1HB ASP 52 1HB ASP 52 -8.554 -3.879 1.839 429 2HB ASP 52 2HB ASP 52 -10.255 -4.184 2.178 430 H GLY 53 H GLY 53 -9.492 -7.989 1.900 431 1HA GLY 53 1HA GLY 53 -11.483 -9.025 2.790 432 2HA GLY 53 2HA GLY 53 -12.425 -8.097 1.634 433 H ARG 54 H ARG 54 -10.539 -8.674 -0.561 434 HA ARG 54 HA ARG 54 -11.621 -11.285 -1.254 435 1HB ARG 54 1HB ARG 54 -9.915 -9.568 -3.039 436 2HB ARG 54 2HB ARG 54 -11.114 -10.769 -3.497 437 1HG ARG 54 1HG ARG 54 -12.265 -8.626 -1.918 438 2HG ARG 54 2HG ARG 54 -11.480 -8.037 -3.386 439 1HD ARG 54 1HD ARG 54 -13.373 -8.582 -4.436 440 2HD ARG 54 2HD ARG 54 -12.843 -10.255 -4.265 441 HE ARG 54 HE ARG 54 -14.173 -9.558 -1.923 442 1HH1 ARG 54 1HH1 ARG 54 -16.533 -10.388 -5.049 443 2HH1 ARG 54 2HH1 ARG 54 -14.881 -9.942 -5.312 444 1HH2 ARG 54 1HH2 ARG 54 -16.347 -10.146 -1.566 445 2HH2 ARG 54 2HH2 ARG 54 -17.367 -10.505 -2.918 446 H THR 55 H THR 55 -10.269 -12.935 -2.236 447 HA THR 55 HA THR 55 -7.705 -13.136 -0.852 448 HB THR 55 HB THR 55 -7.847 -15.457 -1.123 449 HG1 THR 55 HG1 THR 55 -9.424 -16.355 -2.633 450 1HG2 THR 55 1HG2 THR 55 -10.510 -14.238 -0.659 451 2HG2 THR 55 2HG2 THR 55 -9.503 -15.212 0.413 452 3HG2 THR 55 3HG2 THR 55 -10.412 -15.984 -0.887 453 H LEU 56 H LEU 56 -5.840 -14.039 -2.008 454 HA LEU 56 HA LEU 56 -5.168 -12.541 -4.267 455 1HB LEU 56 1HB LEU 56 -3.943 -15.094 -3.220 456 2HB LEU 56 2HB LEU 56 -3.216 -14.076 -4.449 457 HG LEU 56 HG LEU 56 -3.617 -13.475 -1.532 458 1HD1 LEU 56 1HD1 LEU 56 -1.568 -14.527 -1.857 459 2HD1 LEU 56 2HD1 LEU 56 -1.158 -12.812 -1.885 460 3HD1 LEU 56 3HD1 LEU 56 -1.284 -13.714 -3.395 461 1HD2 LEU 56 1HD2 LEU 56 -3.566 -11.611 -3.802 462 2HD2 LEU 56 2HD2 LEU 56 -2.437 -11.237 -2.501 463 3HD2 LEU 56 3HD2 LEU 56 -4.159 -11.385 -2.157 464 H SER 57 H SER 57 -6.245 -15.907 -3.987 465 HA SER 57 HA SER 57 -5.924 -16.702 -6.626 466 1HB SER 57 1HB SER 57 -6.600 -18.547 -5.518 467 2HB SER 57 2HB SER 57 -7.482 -17.604 -4.315 468 HG SER 57 HG SER 57 -8.597 -19.058 -6.047 469 H ASP 58 H ASP 58 -8.556 -14.899 -5.122 470 HA ASP 58 HA ASP 58 -10.458 -14.958 -7.111 471 1HB ASP 58 1HB ASP 58 -9.679 -12.825 -5.141 472 2HB ASP 58 2HB ASP 58 -10.980 -12.553 -6.297 473 H TYR 59 H TYR 59 -7.503 -13.064 -6.954 474 HA TYR 59 HA TYR 59 -8.160 -11.692 -9.442 475 1HB TYR 59 1HB TYR 59 -5.775 -11.437 -7.597 476 2HB TYR 59 2HB TYR 59 -6.032 -10.469 -9.044 477 HD1 TYR 59 HD1 TYR 59 -6.727 -10.810 -5.542 478 HD2 TYR 59 HD2 TYR 59 -8.100 -8.981 -9.140 479 HE1 TYR 59 HE1 TYR 59 -8.027 -9.189 -4.216 480 HE2 TYR 59 HE2 TYR 59 -9.403 -7.356 -7.825 481 HH TYR 59 HH TYR 59 -10.297 -7.699 -4.838 482 H ASN 60 H ASN 60 -7.776 -14.537 -9.517 483 HA ASN 60 HA ASN 60 -6.473 -16.189 -10.466 484 1HB ASN 60 1HB ASN 60 -5.963 -15.622 -12.866 485 2HB ASN 60 2HB ASN 60 -7.630 -15.332 -12.380 486 1HD2 ASN 60 1HD2 ASN 60 -8.470 -13.426 -12.829 487 2HD2 ASN 60 2HD2 ASN 60 -7.584 -12.005 -13.255 488 H LEU 61 H LEU 61 -4.895 -14.914 -8.636 489 HA LEU 61 HA LEU 61 -2.428 -14.054 -9.855 490 1HB LEU 61 1HB LEU 61 -3.528 -14.250 -7.126 491 2HB LEU 61 2HB LEU 61 -1.793 -14.470 -7.249 492 HG LEU 61 HG LEU 61 -2.957 -12.120 -8.645 493 1HD1 LEU 61 1HD1 LEU 61 -2.419 -11.932 -5.710 494 2HD1 LEU 61 2HD1 LEU 61 -4.019 -12.379 -6.301 495 3HD1 LEU 61 3HD1 LEU 61 -3.312 -10.829 -6.757 496 1HD2 LEU 61 1HD2 LEU 61 -0.838 -11.153 -7.510 497 2HD2 LEU 61 2HD2 LEU 61 -0.661 -12.249 -8.881 498 3HD2 LEU 61 3HD2 LEU 61 -0.422 -12.845 -7.239 499 H GLN 62 H GLN 62 -0.868 -15.352 -10.544 500 HA GLN 62 HA GLN 62 -0.860 -18.146 -9.645 501 1HB GLN 62 1HB GLN 62 0.541 -16.924 -12.028 502 2HB GLN 62 2HB GLN 62 0.421 -18.637 -11.653 503 1HG GLN 62 1HG GLN 62 -2.208 -17.609 -11.726 504 2HG GLN 62 2HG GLN 62 -1.360 -16.999 -13.146 505 1HE2 GLN 62 1HE2 GLN 62 -1.992 -19.964 -11.327 506 2HE2 GLN 62 2HE2 GLN 62 -1.997 -21.016 -12.698 507 H LYS 63 H LYS 63 0.872 -19.049 -8.653 508 HA LYS 63 HA LYS 63 2.557 -17.715 -7.043 509 1HB LYS 63 1HB LYS 63 4.224 -19.714 -7.639 510 2HB LYS 63 2HB LYS 63 2.766 -19.956 -6.688 511 1HG LYS 63 1HG LYS 63 1.731 -21.129 -8.317 512 2HG LYS 63 2HG LYS 63 2.482 -20.200 -9.617 513 1HD LYS 63 1HD LYS 63 4.662 -21.386 -8.869 514 2HD LYS 63 2HD LYS 63 3.573 -22.527 -8.079 515 1HE LYS 63 1HE LYS 63 3.286 -23.571 -10.017 516 2HE LYS 63 2HE LYS 63 2.583 -22.100 -10.690 517 1HZ LYS 63 1HZ LYS 63 4.312 -22.339 -12.103 518 2HZ LYS 63 2HZ LYS 63 5.271 -23.183 -10.996 519 3HZ LYS 63 3HZ LYS 63 5.143 -21.500 -10.892 520 H GLU 64 H GLU 64 4.138 -16.284 -7.255 521 HA GLU 64 HA GLU 64 6.059 -15.299 -8.063 522 1HB GLU 64 1HB GLU 64 5.803 -16.917 -10.590 523 2HB GLU 64 2HB GLU 64 7.243 -16.160 -9.924 524 1HG GLU 64 1HG GLU 64 6.120 -18.058 -8.070 525 2HG GLU 64 2HG GLU 64 6.442 -18.804 -9.635 526 H SER 65 H SER 65 4.356 -13.597 -8.085 527 HA SER 65 HA SER 65 4.039 -12.568 -10.817 528 1HB SER 65 1HB SER 65 1.907 -12.707 -8.681 529 2HB SER 65 2HB SER 65 1.784 -11.661 -10.096 530 HG SER 65 HG SER 65 2.426 -14.290 -10.633 531 H THR 66 H THR 66 3.955 -10.285 -10.995 532 HA THR 66 HA THR 66 5.300 -8.932 -8.777 533 HB THR 66 HB THR 66 4.927 -8.167 -11.676 534 HG1 THR 66 HG1 THR 66 6.592 -9.787 -10.695 535 1HG2 THR 66 1HG2 THR 66 6.868 -6.524 -10.844 536 2HG2 THR 66 2HG2 THR 66 5.867 -6.569 -9.391 537 3HG2 THR 66 3HG2 THR 66 5.168 -6.062 -10.929 538 H ILE 67 H ILE 67 4.561 -6.993 -7.900 539 HA ILE 67 HA ILE 67 1.899 -6.071 -8.697 540 HB ILE 67 HB ILE 67 2.662 -6.895 -5.898 541 1HG1 ILE 67 1HG1 ILE 67 0.079 -7.759 -6.851 542 2HG1 ILE 67 2HG1 ILE 67 1.335 -8.233 -7.990 543 1HG2 ILE 67 1HG2 ILE 67 0.484 -5.096 -6.880 544 2HG2 ILE 67 2HG2 ILE 67 1.556 -4.902 -5.494 545 3HG2 ILE 67 3HG2 ILE 67 0.246 -6.081 -5.437 546 1HD1 ILE 67 1HD1 ILE 67 1.080 -8.971 -5.097 547 2HD1 ILE 67 2HD1 ILE 67 2.572 -9.199 -6.009 548 3HD1 ILE 67 3HD1 ILE 67 1.098 -10.030 -6.508 549 H HIS 68 H HIS 68 1.755 -3.916 -8.747 550 HA HIS 68 HA HIS 68 4.013 -2.359 -7.752 551 1HB HIS 68 1HB HIS 68 1.692 -1.233 -9.296 552 2HB HIS 68 2HB HIS 68 3.353 -0.653 -9.222 553 HD1 HIS 68 HD1 HIS 68 2.149 -1.025 -11.951 554 HD2 HIS 68 HD2 HIS 68 4.167 -4.059 -9.949 555 HE1 HIS 68 HE1 HIS 68 2.917 -2.617 -13.740 556 HE2 HIS 68 HE2 HIS 68 4.061 -4.487 -12.498 557 H LEU 69 H LEU 69 3.813 -1.902 -5.637 558 HA LEU 69 HA LEU 69 1.216 -1.173 -4.539 559 1HB LEU 69 1HB LEU 69 2.567 -2.706 -3.244 560 2HB LEU 69 2HB LEU 69 3.910 -1.578 -3.244 561 HG LEU 69 HG LEU 69 2.532 0.003 -1.909 562 1HD1 LEU 69 1HD1 LEU 69 0.398 -0.400 -1.267 563 2HD1 LEU 69 2HD1 LEU 69 0.623 -2.148 -1.222 564 3HD1 LEU 69 3HD1 LEU 69 0.386 -1.330 -2.766 565 1HD2 LEU 69 1HD2 LEU 69 4.095 -1.402 -0.757 566 2HD2 LEU 69 2HD2 LEU 69 2.966 -2.755 -0.779 567 3HD2 LEU 69 3HD2 LEU 69 2.610 -1.325 0.191 568 H VAL 70 H VAL 70 0.628 0.858 -4.955 569 HA VAL 70 HA VAL 70 2.632 2.992 -4.731 570 HB VAL 70 HB VAL 70 -0.074 3.700 -5.661 571 1HG1 VAL 70 1HG1 VAL 70 1.853 4.483 -7.505 572 2HG1 VAL 70 2HG1 VAL 70 2.662 4.584 -5.941 573 3HG1 VAL 70 3HG1 VAL 70 1.160 5.466 -6.215 574 1HG2 VAL 70 1HG2 VAL 70 0.509 2.832 -7.984 575 2HG2 VAL 70 2HG2 VAL 70 -0.052 1.648 -6.805 576 3HG2 VAL 70 3HG2 VAL 70 1.667 1.777 -7.176 577 H LEU 71 H LEU 71 2.174 4.881 -3.534 578 HA LEU 71 HA LEU 71 0.935 4.412 -1.034 579 1HB LEU 71 1HB LEU 71 2.583 6.414 -2.220 580 2HB LEU 71 2HB LEU 71 1.208 7.208 -1.477 581 HG LEU 71 HG LEU 71 3.348 6.867 -0.078 582 1HD1 LEU 71 1HD1 LEU 71 0.855 5.836 1.226 583 2HD1 LEU 71 2HD1 LEU 71 0.978 7.507 0.675 584 3HD1 LEU 71 3HD1 LEU 71 2.101 6.893 1.888 585 1HD2 LEU 71 1HD2 LEU 71 2.185 4.202 0.574 586 2HD2 LEU 71 2HD2 LEU 71 3.820 4.811 0.825 587 3HD2 LEU 71 3HD2 LEU 71 3.290 4.350 -0.792 588 H ARG 72 H ARG 72 -0.901 5.419 -0.113 589 HA ARG 72 HA ARG 72 -3.130 5.590 -1.886 590 1HB ARG 72 1HB ARG 72 -2.681 5.562 1.007 591 2HB ARG 72 2HB ARG 72 -4.022 6.588 0.520 592 1HG ARG 72 1HG ARG 72 -4.100 4.049 -0.847 593 2HG ARG 72 2HG ARG 72 -4.069 3.841 0.905 594 1HD ARG 72 1HD ARG 72 -6.101 4.807 1.192 595 2HD ARG 72 2HD ARG 72 -5.882 5.922 -0.156 596 HE ARG 72 HE ARG 72 -6.145 3.559 -1.405 597 1HH1 ARG 72 1HH1 ARG 72 -9.511 4.381 0.601 598 2HH1 ARG 72 2HH1 ARG 72 -8.017 5.111 1.086 599 1HH2 ARG 72 1HH2 ARG 72 -8.106 2.591 -2.055 600 2HH2 ARG 72 2HH2 ARG 72 -9.561 2.948 -1.185 601 H LEU 73 H LEU 73 -2.228 7.348 -3.225 602 HA LEU 73 HA LEU 73 -1.858 9.562 -3.765 603 1HB LEU 73 1HB LEU 73 -4.615 9.420 -2.580 604 2HB LEU 73 2HB LEU 73 -4.000 10.903 -3.283 605 HG LEU 73 HG LEU 73 -3.924 8.395 -4.906 606 1HD1 LEU 73 1HD1 LEU 73 -6.176 8.773 -5.699 607 2HD1 LEU 73 2HD1 LEU 73 -6.364 10.138 -4.599 608 3HD1 LEU 73 3HD1 LEU 73 -6.195 8.504 -3.957 609 1HD2 LEU 73 1HD2 LEU 73 -4.477 11.251 -5.677 610 2HD2 LEU 73 2HD2 LEU 73 -4.085 9.902 -6.743 611 3HD2 LEU 73 3HD2 LEU 73 -2.865 10.537 -5.639 612 H ARG 74 H ARG 74 -0.515 9.039 -1.404 613 HA ARG 74 HA ARG 74 0.311 9.973 0.514 614 1HB ARG 74 1HB ARG 74 1.364 11.518 -0.881 615 2HB ARG 74 2HB ARG 74 -0.151 12.281 -1.344 616 1HG ARG 74 1HG ARG 74 -0.337 13.361 0.779 617 2HG ARG 74 2HG ARG 74 1.040 12.456 1.414 618 1HD ARG 74 1HD ARG 74 2.237 13.570 -0.680 619 2HD ARG 74 2HD ARG 74 0.971 14.774 -0.440 620 HE ARG 74 HE ARG 74 3.267 14.332 1.213 621 1HH1 ARG 74 1HH1 ARG 74 0.174 16.485 2.566 622 2HH1 ARG 74 2HH1 ARG 74 -0.026 15.463 1.182 623 1HH2 ARG 74 1HH2 ARG 74 3.543 15.676 3.036 624 2HH2 ARG 74 2HH2 ARG 74 2.205 16.607 3.619 625 H GLY 75 H GLY 75 -1.202 9.423 2.063 626 1HA GLY 75 1HA GLY 75 -2.348 11.341 3.620 627 2HA GLY 75 2HA GLY 75 -3.599 10.972 2.442 628 H GLY 76 H GLY 76 -4.759 10.360 4.464 629 1HA GLY 76 1HA GLY 76 -5.476 7.853 4.747 630 2HA GLY 76 2HA GLY 76 -3.926 7.779 5.570 Start of MODEL 9 1 1H MET 1 1H MET 1 4.971 -20.674 -1.845 2 2H MET 1 2H MET 1 3.663 -21.553 -2.527 3 3H MET 1 3H MET 1 3.362 -20.324 -1.368 4 HA MET 1 HA MET 1 4.409 -20.005 -4.099 5 1HB MET 1 1HB MET 1 2.101 -20.279 -4.251 6 2HB MET 1 2HB MET 1 1.805 -19.507 -2.699 7 1HG MET 1 1HG MET 1 3.005 -17.768 -4.730 8 2HG MET 1 2HG MET 1 1.386 -18.354 -5.111 9 1HE MET 1 1HE MET 1 -0.934 -17.268 -2.775 10 2HE MET 1 2HE MET 1 -0.489 -17.798 -4.397 11 3HE MET 1 3HE MET 1 -0.683 -16.079 -4.052 12 H GLN 2 H GLN 2 5.709 -18.323 -4.383 13 HA GLN 2 HA GLN 2 5.955 -16.336 -2.251 14 1HB GLN 2 1HB GLN 2 7.767 -17.543 -4.156 15 2HB GLN 2 2HB GLN 2 7.850 -15.788 -4.240 16 1HG GLN 2 1HG GLN 2 8.748 -15.588 -2.174 17 2HG GLN 2 2HG GLN 2 7.896 -16.996 -1.545 18 1HE2 GLN 2 1HE2 GLN 2 10.776 -16.090 -1.548 19 2HE2 GLN 2 2HE2 GLN 2 11.653 -17.470 -2.106 20 H LEU 3 H LEU 3 6.028 -14.076 -2.728 21 HA LEU 3 HA LEU 3 4.798 -13.283 -5.273 22 1HB LEU 3 1HB LEU 3 3.916 -12.195 -2.602 23 2HB LEU 3 2HB LEU 3 3.229 -11.829 -4.173 24 HG LEU 3 HG LEU 3 3.127 -14.539 -2.847 25 1HD1 LEU 3 1HD1 LEU 3 1.810 -12.648 -1.761 26 2HD1 LEU 3 2HD1 LEU 3 0.911 -14.091 -2.228 27 3HD1 LEU 3 3HD1 LEU 3 0.832 -12.642 -3.229 28 1HD2 LEU 3 1HD2 LEU 3 1.166 -14.484 -4.721 29 2HD2 LEU 3 2HD2 LEU 3 2.771 -15.172 -4.972 30 3HD2 LEU 3 3HD2 LEU 3 2.420 -13.529 -5.511 31 H PHE 4 H PHE 4 5.766 -11.584 -6.187 32 HA PHE 4 HA PHE 4 7.821 -10.183 -4.648 33 1HB PHE 4 1HB PHE 4 7.302 -10.138 -7.627 34 2HB PHE 4 2HB PHE 4 8.702 -9.462 -6.800 35 HD1 PHE 4 HD1 PHE 4 9.325 -11.183 -8.929 36 HD2 PHE 4 HD2 PHE 4 8.200 -12.232 -4.952 37 HE1 PHE 4 HE1 PHE 4 10.504 -13.335 -9.167 38 HE2 PHE 4 HE2 PHE 4 9.377 -14.385 -5.182 39 HZ PHE 4 HZ PHE 4 10.532 -14.938 -7.291 40 H VAL 5 H VAL 5 7.105 -8.432 -3.622 41 HA VAL 5 HA VAL 5 5.115 -6.722 -4.943 42 HB VAL 5 HB VAL 5 5.991 -6.495 -2.072 43 1HG1 VAL 5 1HG1 VAL 5 3.363 -5.781 -2.232 44 2HG1 VAL 5 2HG1 VAL 5 3.985 -5.232 -3.788 45 3HG1 VAL 5 3HG1 VAL 5 4.724 -4.660 -2.292 46 1HG2 VAL 5 1HG2 VAL 5 3.880 -8.282 -3.258 47 2HG2 VAL 5 2HG2 VAL 5 3.901 -7.810 -1.559 48 3HG2 VAL 5 3HG2 VAL 5 5.241 -8.737 -2.233 49 H LYS 6 H LYS 6 6.192 -5.321 -6.220 50 HA LYS 6 HA LYS 6 8.604 -4.014 -5.221 51 1HB LYS 6 1HB LYS 6 8.890 -3.184 -7.478 52 2HB LYS 6 2HB LYS 6 8.572 -4.912 -7.527 53 1HG LYS 6 1HG LYS 6 6.917 -4.550 -8.945 54 2HG LYS 6 2HG LYS 6 6.077 -3.608 -7.711 55 1HD LYS 6 1HD LYS 6 6.247 -1.993 -9.299 56 2HD LYS 6 2HD LYS 6 7.815 -1.757 -8.525 57 1HE LYS 6 1HE LYS 6 8.956 -2.545 -10.303 58 2HE LYS 6 2HE LYS 6 7.757 -3.791 -10.649 59 1HZ LYS 6 1HZ LYS 6 6.646 -1.255 -11.167 60 2HZ LYS 6 2HZ LYS 6 6.924 -2.528 -12.246 61 3HZ LYS 6 3HZ LYS 6 8.131 -1.375 -11.971 62 H THR 7 H THR 7 8.814 -1.772 -5.025 63 HA THR 7 HA THR 7 6.258 -0.360 -4.691 64 HB THR 7 HB THR 7 7.430 1.118 -3.152 65 HG1 THR 7 HG1 THR 7 9.597 0.168 -4.385 66 1HG2 THR 7 1HG2 THR 7 6.888 -0.395 -1.628 67 2HG2 THR 7 2HG2 THR 7 8.548 -0.977 -1.752 68 3HG2 THR 7 3HG2 THR 7 7.274 -1.734 -2.708 69 H LEU 8 H LEU 8 6.900 2.213 -4.747 70 HA LEU 8 HA LEU 8 7.388 2.699 -7.535 71 1HB LEU 8 1HB LEU 8 6.497 4.280 -5.196 72 2HB LEU 8 2HB LEU 8 7.287 5.173 -6.480 73 HG LEU 8 HG LEU 8 4.857 5.201 -6.740 74 1HD1 LEU 8 1HD1 LEU 8 6.416 5.182 -8.714 75 2HD1 LEU 8 2HD1 LEU 8 4.766 4.653 -9.043 76 3HD1 LEU 8 3HD1 LEU 8 6.057 3.463 -8.881 77 1HD2 LEU 8 1HD2 LEU 8 3.698 3.085 -7.360 78 2HD2 LEU 8 2HD2 LEU 8 4.240 3.148 -5.682 79 3HD2 LEU 8 3HD2 LEU 8 5.146 2.206 -6.867 80 H THR 9 H THR 9 9.351 2.445 -4.808 81 HA THR 9 HA THR 9 11.383 4.290 -5.779 82 HB THR 9 HB THR 9 12.405 4.092 -3.716 83 HG1 THR 9 HG1 THR 9 12.872 2.000 -3.499 84 1HG2 THR 9 1HG2 THR 9 10.748 4.847 -2.473 85 2HG2 THR 9 2HG2 THR 9 10.170 3.197 -2.235 86 3HG2 THR 9 3HG2 THR 9 9.577 4.154 -3.594 87 H GLY 10 H GLY 10 10.509 1.057 -6.191 88 1HA GLY 10 1HA GLY 10 11.692 -0.161 -7.942 89 2HA GLY 10 2HA GLY 10 13.192 0.460 -7.270 90 H LYS 11 H LYS 11 13.050 -0.050 -4.649 91 HA LYS 11 HA LYS 11 13.892 -2.574 -4.263 92 1HB LYS 11 1HB LYS 11 12.373 -0.738 -2.443 93 2HB LYS 11 2HB LYS 11 12.822 -2.346 -1.893 94 1HG LYS 11 1HG LYS 11 15.191 -1.791 -2.458 95 2HG LYS 11 2HG LYS 11 14.662 -0.136 -2.773 96 1HD LYS 11 1HD LYS 11 15.013 0.257 -0.606 97 2HD LYS 11 2HD LYS 11 13.576 -0.719 -0.296 98 1HE LYS 11 1HE LYS 11 14.840 -2.641 0.147 99 2HE LYS 11 2HE LYS 11 16.286 -1.969 -0.608 100 1HZ LYS 11 1HZ LYS 11 16.859 -0.895 1.258 101 2HZ LYS 11 2HZ LYS 11 15.849 -2.011 2.029 102 3HZ LYS 11 3HZ LYS 11 15.270 -0.468 1.648 103 H THR 12 H THR 12 13.095 -4.584 -4.250 104 HA THR 12 HA THR 12 10.170 -4.895 -4.428 105 HB THR 12 HB THR 12 12.272 -6.781 -5.504 106 HG1 THR 12 HG1 THR 12 12.221 -4.708 -6.570 107 1HG2 THR 12 1HG2 THR 12 9.846 -6.947 -6.919 108 2HG2 THR 12 2HG2 THR 12 9.455 -7.038 -5.202 109 3HG2 THR 12 3HG2 THR 12 10.609 -8.172 -5.906 110 H LEU 13 H LEU 13 9.153 -6.190 -3.012 111 HA LEU 13 HA LEU 13 10.775 -7.414 -0.910 112 1HB LEU 13 1HB LEU 13 8.027 -6.350 -1.105 113 2HB LEU 13 2HB LEU 13 8.223 -7.757 -0.079 114 HG LEU 13 HG LEU 13 9.481 -5.042 0.230 115 1HD1 LEU 13 1HD1 LEU 13 8.195 -4.822 2.082 116 2HD1 LEU 13 2HD1 LEU 13 8.218 -6.549 2.442 117 3HD1 LEU 13 3HD1 LEU 13 7.155 -5.925 1.181 118 1HD2 LEU 13 1HD2 LEU 13 11.336 -6.072 0.937 119 2HD2 LEU 13 2HD2 LEU 13 10.545 -7.646 1.018 120 3HD2 LEU 13 3HD2 LEU 13 10.383 -6.506 2.355 121 H THR 14 H THR 14 10.158 -9.545 -0.080 122 HA THR 14 HA THR 14 8.910 -11.279 -2.097 123 HB THR 14 HB THR 14 11.367 -12.115 -0.569 124 HG1 THR 14 HG1 THR 14 11.166 -10.497 -2.786 125 1HG2 THR 14 1HG2 THR 14 9.904 -13.202 -2.942 126 2HG2 THR 14 2HG2 THR 14 10.351 -14.016 -1.443 127 3HG2 THR 14 3HG2 THR 14 11.593 -13.602 -2.625 128 H VAL 15 H VAL 15 7.105 -11.903 -1.080 129 HA VAL 15 HA VAL 15 7.376 -12.977 1.653 130 HB VAL 15 HB VAL 15 4.895 -12.438 1.867 131 1HG1 VAL 15 1HG1 VAL 15 6.131 -11.085 3.213 132 2HG1 VAL 15 2HG1 VAL 15 5.520 -9.868 2.092 133 3HG1 VAL 15 3HG1 VAL 15 7.150 -10.512 1.892 134 1HG2 VAL 15 1HG2 VAL 15 5.513 -10.614 -0.455 135 2HG2 VAL 15 2HG2 VAL 15 4.004 -10.685 0.454 136 3HG2 VAL 15 3HG2 VAL 15 4.501 -12.056 -0.538 137 H GLU 16 H GLU 16 6.259 -14.869 2.154 138 HA GLU 16 HA GLU 16 5.394 -16.414 -0.192 139 1HB GLU 16 1HB GLU 16 5.685 -18.097 2.076 140 2HB GLU 16 2HB GLU 16 6.665 -18.060 0.617 141 1HG GLU 16 1HG GLU 16 8.240 -17.750 2.254 142 2HG GLU 16 2HG GLU 16 7.875 -16.088 1.789 143 H LEU 17 H LEU 17 3.282 -16.527 -0.453 144 HA LEU 17 HA LEU 17 1.597 -16.977 1.906 145 1HB LEU 17 1HB LEU 17 1.476 -14.749 0.000 146 2HB LEU 17 2HB LEU 17 -0.062 -15.538 0.296 147 HG LEU 17 HG LEU 17 1.297 -15.041 2.790 148 1HD1 LEU 17 1HD1 LEU 17 2.401 -13.231 1.677 149 2HD1 LEU 17 2HD1 LEU 17 1.128 -12.572 2.704 150 3HD1 LEU 17 3HD1 LEU 17 0.883 -12.688 0.963 151 1HD2 LEU 17 1HD2 LEU 17 -1.315 -14.852 1.590 152 2HD2 LEU 17 2HD2 LEU 17 -0.970 -13.447 2.596 153 3HD2 LEU 17 3HD2 LEU 17 -0.867 -15.069 3.281 154 H GLU 18 H GLU 18 -0.784 -17.394 0.963 155 HA GLU 18 HA GLU 18 -0.502 -19.350 -1.220 156 1HB GLU 18 1HB GLU 18 -2.065 -19.554 1.350 157 2HB GLU 18 2HB GLU 18 -2.367 -20.604 -0.025 158 1HG GLU 18 1HG GLU 18 0.439 -20.497 0.700 159 2HG GLU 18 2HG GLU 18 -0.587 -21.057 2.020 160 HA PRO 19 HA PRO 19 -3.847 -17.396 -3.304 161 1HB PRO 19 1HB PRO 19 -5.324 -19.506 -4.201 162 2HB PRO 19 2HB PRO 19 -3.782 -19.025 -4.915 163 1HG PRO 19 1HG PRO 19 -4.360 -21.198 -2.938 164 2HG PRO 19 2HG PRO 19 -3.298 -21.231 -4.359 165 1HD PRO 19 1HD PRO 19 -2.340 -20.918 -1.857 166 2HD PRO 19 2HD PRO 19 -1.587 -20.132 -3.260 167 H SER 20 H SER 20 -4.355 -19.198 -0.511 168 HA SER 20 HA SER 20 -7.234 -18.817 -0.432 169 1HB SER 20 1HB SER 20 -6.863 -19.815 1.942 170 2HB SER 20 2HB SER 20 -6.648 -20.861 0.539 171 HG SER 20 HG SER 20 -4.904 -20.379 2.423 172 H ASP 21 H ASP 21 -4.353 -17.257 0.687 173 HA ASP 21 HA ASP 21 -5.478 -15.824 2.856 174 1HB ASP 21 1HB ASP 21 -3.076 -15.244 1.116 175 2HB ASP 21 2HB ASP 21 -3.489 -14.326 2.561 176 H THR 22 H THR 22 -5.529 -13.352 2.821 177 HA THR 22 HA THR 22 -6.812 -12.423 0.338 178 HB THR 22 HB THR 22 -8.552 -11.406 1.503 179 HG1 THR 22 HG1 THR 22 -7.533 -10.288 3.078 180 1HG2 THR 22 1HG2 THR 22 -8.098 -13.662 3.412 181 2HG2 THR 22 2HG2 THR 22 -8.553 -13.952 1.733 182 3HG2 THR 22 3HG2 THR 22 -9.617 -13.019 2.787 183 H VAL 23 H VAL 23 -6.907 -10.000 0.206 184 HA VAL 23 HA VAL 23 -4.429 -8.860 0.124 185 HB VAL 23 HB VAL 23 -7.078 -7.484 0.576 186 1HG1 VAL 23 1HG1 VAL 23 -5.221 -5.779 -0.714 187 2HG1 VAL 23 2HG1 VAL 23 -4.457 -6.393 0.752 188 3HG1 VAL 23 3HG1 VAL 23 -6.008 -5.560 0.849 189 1HG2 VAL 23 1HG2 VAL 23 -5.434 -8.001 -1.899 190 2HG2 VAL 23 2HG2 VAL 23 -6.879 -6.991 -1.845 191 3HG2 VAL 23 3HG2 VAL 23 -6.994 -8.715 -1.493 192 H GLU 24 H GLU 24 -6.768 -8.606 2.790 193 HA GLU 24 HA GLU 24 -5.486 -6.895 4.484 194 1HB GLU 24 1HB GLU 24 -7.662 -8.455 4.722 195 2HB GLU 24 2HB GLU 24 -6.557 -9.355 5.752 196 1HG GLU 24 1HG GLU 24 -6.559 -6.476 6.244 197 2HG GLU 24 2HG GLU 24 -8.110 -7.261 6.543 198 H ASN 25 H ASN 25 -4.950 -10.413 4.306 199 HA ASN 25 HA ASN 25 -2.940 -10.578 6.229 200 1HB ASN 25 1HB ASN 25 -3.243 -12.255 3.727 201 2HB ASN 25 2HB ASN 25 -2.303 -12.689 5.153 202 1HD2 ASN 25 1HD2 ASN 25 -3.393 -13.194 7.081 203 2HD2 ASN 25 2HD2 ASN 25 -5.051 -13.680 7.074 204 H LEU 26 H LEU 26 -2.590 -10.325 2.690 205 HA LEU 26 HA LEU 26 0.148 -10.194 2.508 206 1HB LEU 26 1HB LEU 26 -1.270 -10.271 0.547 207 2HB LEU 26 2HB LEU 26 -1.914 -8.681 0.907 208 HG LEU 26 HG LEU 26 0.036 -7.591 0.237 209 1HD1 LEU 26 1HD1 LEU 26 1.814 -8.549 1.305 210 2HD1 LEU 26 2HD1 LEU 26 2.098 -9.119 -0.340 211 3HD1 LEU 26 3HD1 LEU 26 1.350 -10.188 0.847 212 1HD2 LEU 26 1HD2 LEU 26 0.724 -9.236 -1.855 213 2HD2 LEU 26 2HD2 LEU 26 -0.590 -8.060 -1.854 214 3HD2 LEU 26 3HD2 LEU 26 -0.919 -9.749 -1.470 215 H LYS 27 H LYS 27 -2.057 -7.411 2.832 216 HA LYS 27 HA LYS 27 -0.129 -5.421 3.039 217 1HB LYS 27 1HB LYS 27 -2.788 -5.470 4.474 218 2HB LYS 27 2HB LYS 27 -1.848 -4.046 4.053 219 1HG LYS 27 1HG LYS 27 -2.310 -5.531 1.678 220 2HG LYS 27 2HG LYS 27 -3.842 -5.356 2.536 221 1HD LYS 27 1HD LYS 27 -3.500 -2.941 2.667 222 2HD LYS 27 2HD LYS 27 -1.956 -3.109 1.831 223 1HE LYS 27 1HE LYS 27 -3.026 -3.833 -0.168 224 2HE LYS 27 2HE LYS 27 -4.579 -4.001 0.652 225 1HZ LYS 27 1HZ LYS 27 -5.013 -1.834 0.433 226 2HZ LYS 27 2HZ LYS 27 -3.816 -1.845 -0.762 227 3HZ LYS 27 3HZ LYS 27 -3.434 -1.359 0.812 228 H ALA 28 H ALA 28 -1.768 -7.182 5.669 229 HA ALA 28 HA ALA 28 -0.674 -6.074 7.881 230 1HB ALA 28 1HB ALA 28 -2.007 -7.755 8.560 231 2HB ALA 28 2HB ALA 28 -0.509 -8.685 8.590 232 3HB ALA 28 3HB ALA 28 -1.581 -8.783 7.193 233 H LYS 29 H LYS 29 0.899 -8.443 5.768 234 HA LYS 29 HA LYS 29 3.272 -8.678 7.293 235 1HB LYS 29 1HB LYS 29 2.452 -9.389 4.513 236 2HB LYS 29 2HB LYS 29 4.167 -9.379 4.899 237 1HG LYS 29 1HG LYS 29 3.618 -10.908 6.829 238 2HG LYS 29 2HG LYS 29 2.005 -11.063 6.130 239 1HD LYS 29 1HD LYS 29 3.541 -11.550 3.957 240 2HD LYS 29 2HD LYS 29 4.573 -12.192 5.237 241 1HE LYS 29 1HE LYS 29 2.074 -13.143 5.900 242 2HE LYS 29 2HE LYS 29 2.088 -13.237 4.140 243 1HZ LYS 29 1HZ LYS 29 3.042 -15.216 4.624 244 2HZ LYS 29 2HZ LYS 29 3.704 -14.689 6.087 245 3HZ LYS 29 3HZ LYS 29 4.447 -14.274 4.626 246 H ILE 30 H ILE 30 2.419 -6.697 4.474 247 HA ILE 30 HA ILE 30 4.891 -5.493 4.039 248 HB ILE 30 HB ILE 30 2.199 -4.174 3.682 249 1HG1 ILE 30 1HG1 ILE 30 3.755 -6.029 1.872 250 2HG1 ILE 30 2HG1 ILE 30 2.160 -6.310 2.562 251 1HG2 ILE 30 1HG2 ILE 30 3.226 -2.529 2.558 252 2HG2 ILE 30 2HG2 ILE 30 4.359 -3.635 1.780 253 3HG2 ILE 30 3HG2 ILE 30 4.670 -3.062 3.419 254 1HD1 ILE 30 1HD1 ILE 30 2.165 -3.874 1.052 255 2HD1 ILE 30 2HD1 ILE 30 1.188 -5.327 0.839 256 3HD1 ILE 30 3HD1 ILE 30 2.773 -5.210 0.074 257 H GLN 31 H GLN 31 2.454 -4.836 6.454 258 HA GLN 31 HA GLN 31 3.531 -2.305 7.255 259 1HB GLN 31 1HB GLN 31 1.189 -2.777 7.647 260 2HB GLN 31 2HB GLN 31 1.597 -4.183 8.619 261 1HG GLN 31 1HG GLN 31 2.735 -2.648 10.222 262 2HG GLN 31 2HG GLN 31 2.092 -1.295 9.291 263 1HE2 GLN 31 1HE2 GLN 31 1.520 -1.614 11.963 264 2HE2 GLN 31 2HE2 GLN 31 -0.154 -1.997 12.149 265 H ASP 32 H ASP 32 3.925 -5.645 8.263 266 HA ASP 32 HA ASP 32 5.598 -4.888 10.511 267 1HB ASP 32 1HB ASP 32 4.055 -7.176 9.793 268 2HB ASP 32 2HB ASP 32 5.718 -7.673 10.077 269 H LYS 33 H LYS 33 6.030 -5.281 7.246 270 HA LYS 33 HA LYS 33 8.786 -6.257 7.536 271 1HB LYS 33 1HB LYS 33 6.957 -6.072 5.144 272 2HB LYS 33 2HB LYS 33 8.670 -6.449 5.011 273 1HG LYS 33 1HG LYS 33 7.016 -8.077 6.865 274 2HG LYS 33 2HG LYS 33 6.838 -8.337 5.129 275 1HD LYS 33 1HD LYS 33 9.618 -8.164 5.783 276 2HD LYS 33 2HD LYS 33 8.841 -9.342 6.843 277 1HE LYS 33 1HE LYS 33 7.859 -9.702 4.192 278 2HE LYS 33 2HE LYS 33 9.621 -9.655 4.141 279 1HZ LYS 33 1HZ LYS 33 9.780 -11.604 5.200 280 2HZ LYS 33 2HZ LYS 33 8.173 -11.835 4.725 281 3HZ LYS 33 3HZ LYS 33 8.521 -11.259 6.277 282 H GLU 34 H GLU 34 6.989 -3.828 5.636 283 HA GLU 34 HA GLU 34 9.383 -2.116 5.741 284 1HB GLU 34 1HB GLU 34 7.468 -2.749 3.604 285 2HB GLU 34 2HB GLU 34 7.822 -1.034 3.768 286 1HG GLU 34 1HG GLU 34 10.052 -3.015 3.668 287 2HG GLU 34 2HG GLU 34 9.247 -2.508 2.184 288 H GLY 35 H GLY 35 7.329 -2.311 7.803 289 1HA GLY 35 1HA GLY 35 5.860 -0.990 9.006 290 2HA GLY 35 2HA GLY 35 7.056 0.246 8.648 291 H ILE 36 H ILE 36 5.050 -1.331 6.233 292 HA ILE 36 HA ILE 36 3.903 1.282 5.573 293 HB ILE 36 HB ILE 36 3.595 -1.207 3.918 294 1HG1 ILE 36 1HG1 ILE 36 5.927 0.716 3.983 295 2HG1 ILE 36 2HG1 ILE 36 5.969 -1.026 4.235 296 1HG2 ILE 36 1HG2 ILE 36 2.691 0.141 2.385 297 2HG2 ILE 36 2HG2 ILE 36 3.937 1.371 2.606 298 3HG2 ILE 36 3HG2 ILE 36 2.546 1.319 3.690 299 1HD1 ILE 36 1HD1 ILE 36 4.950 -0.011 1.640 300 2HD1 ILE 36 2HD1 ILE 36 5.839 -1.489 2.012 301 3HD1 ILE 36 3HD1 ILE 36 6.685 0.057 1.953 302 HA PRO 37 HA PRO 37 0.199 -0.233 7.655 303 1HB PRO 37 1HB PRO 37 -0.797 2.459 7.028 304 2HB PRO 37 2HB PRO 37 -0.581 1.683 8.598 305 1HG PRO 37 1HG PRO 37 1.009 3.692 7.784 306 2HG PRO 37 2HG PRO 37 1.619 2.359 8.781 307 1HD PRO 37 1HD PRO 37 1.884 2.788 5.825 308 2HD PRO 37 2HD PRO 37 3.099 2.227 6.994 309 HA PRO 38 HA PRO 38 -2.166 -1.444 4.110 310 1HB PRO 38 1HB PRO 38 -4.429 -1.492 6.034 311 2HB PRO 38 2HB PRO 38 -3.821 -2.772 4.978 312 1HG PRO 38 1HG PRO 38 -3.361 -2.833 7.604 313 2HG PRO 38 2HG PRO 38 -2.125 -3.359 6.445 314 1HD PRO 38 1HD PRO 38 -2.318 -0.803 7.986 315 2HD PRO 38 2HD PRO 38 -0.885 -1.774 7.585 316 H ASP 39 H ASP 39 -3.240 1.094 6.288 317 HA ASP 39 HA ASP 39 -5.378 2.100 4.785 318 1HB ASP 39 1HB ASP 39 -4.139 2.759 7.174 319 2HB ASP 39 2HB ASP 39 -3.836 4.166 6.158 320 H GLN 40 H GLN 40 -1.921 2.563 4.503 321 HA GLN 40 HA GLN 40 -2.364 4.412 2.257 322 1HB GLN 40 1HB GLN 40 0.327 3.994 3.491 323 2HB GLN 40 2HB GLN 40 -0.327 5.421 2.699 324 1HG GLN 40 1HG GLN 40 -1.563 6.042 4.583 325 2HG GLN 40 2HG GLN 40 -1.399 4.449 5.323 326 1HE2 GLN 40 1HE2 GLN 40 -0.835 6.522 6.873 327 2HE2 GLN 40 2HE2 GLN 40 0.867 6.691 7.117 328 H GLN 41 H GLN 41 -2.517 1.430 2.260 329 HA GLN 41 HA GLN 41 -0.278 0.789 0.470 330 1HB GLN 41 1HB GLN 41 -2.016 -0.805 2.276 331 2HB GLN 41 2HB GLN 41 -1.470 -1.586 0.799 332 1HG GLN 41 1HG GLN 41 0.862 -1.027 1.432 333 2HG GLN 41 2HG GLN 41 0.250 -0.410 2.966 334 1HE2 GLN 41 1HE2 GLN 41 0.109 -1.782 4.595 335 2HE2 GLN 41 2HE2 GLN 41 0.155 -3.505 4.474 336 H ARG 42 H ARG 42 -0.604 0.662 -1.647 337 HA ARG 42 HA ARG 42 -3.320 0.119 -2.638 338 1HB ARG 42 1HB ARG 42 -1.406 2.241 -3.618 339 2HB ARG 42 2HB ARG 42 -2.814 1.715 -4.528 340 1HG ARG 42 1HG ARG 42 -4.293 2.507 -2.824 341 2HG ARG 42 2HG ARG 42 -2.939 2.860 -1.748 342 1HD ARG 42 1HD ARG 42 -2.375 4.762 -2.857 343 2HD ARG 42 2HD ARG 42 -2.906 4.138 -4.418 344 HE ARG 42 HE ARG 42 -5.028 4.698 -2.539 345 1HH1 ARG 42 1HH1 ARG 42 -4.165 7.151 -5.583 346 2HH1 ARG 42 2HH1 ARG 42 -3.044 5.911 -5.130 347 1HH2 ARG 42 1HH2 ARG 42 -6.514 6.328 -3.127 348 2HH2 ARG 42 2HH2 ARG 42 -6.137 7.388 -4.444 349 H LEU 43 H LEU 43 -2.966 -1.959 -3.265 350 HA LEU 43 HA LEU 43 -0.605 -2.620 -4.831 351 1HB LEU 43 1HB LEU 43 -2.902 -4.398 -4.010 352 2HB LEU 43 2HB LEU 43 -1.361 -4.918 -4.666 353 HG LEU 43 HG LEU 43 -2.007 -3.926 -1.924 354 1HD1 LEU 43 1HD1 LEU 43 -0.534 -6.245 -3.131 355 2HD1 LEU 43 2HD1 LEU 43 -1.944 -6.259 -2.071 356 3HD1 LEU 43 3HD1 LEU 43 -0.361 -5.817 -1.429 357 1HD2 LEU 43 1HD2 LEU 43 -0.260 -2.427 -2.500 358 2HD2 LEU 43 2HD2 LEU 43 0.658 -3.700 -3.304 359 3HD2 LEU 43 3HD2 LEU 43 0.473 -3.720 -1.550 360 H ILE 44 H ILE 44 -0.629 -2.215 -6.933 361 HA ILE 44 HA ILE 44 -3.170 -2.361 -8.395 362 HB ILE 44 HB ILE 44 -0.566 -1.247 -9.427 363 1HG1 ILE 44 1HG1 ILE 44 -1.239 -0.053 -7.371 364 2HG1 ILE 44 2HG1 ILE 44 -1.371 0.969 -8.799 365 1HG2 ILE 44 1HG2 ILE 44 -3.036 -1.791 -10.635 366 2HG2 ILE 44 2HG2 ILE 44 -1.680 -0.889 -11.312 367 3HG2 ILE 44 3HG2 ILE 44 -2.960 -0.039 -10.445 368 1HD1 ILE 44 1HD1 ILE 44 -3.668 0.989 -8.736 369 2HD1 ILE 44 2HD1 ILE 44 -3.254 0.971 -7.021 370 3HD1 ILE 44 3HD1 ILE 44 -3.762 -0.516 -7.821 371 H PHE 45 H PHE 45 -2.914 -4.768 -8.193 372 HA PHE 45 HA PHE 45 -0.863 -6.121 -9.606 373 1HB PHE 45 1HB PHE 45 -2.028 -7.346 -7.931 374 2HB PHE 45 2HB PHE 45 -3.593 -6.977 -8.649 375 HD1 PHE 45 HD1 PHE 45 -4.600 -8.507 -10.060 376 HD2 PHE 45 HD2 PHE 45 -0.396 -8.740 -9.384 377 HE1 PHE 45 HE1 PHE 45 -4.517 -10.616 -11.334 378 HE2 PHE 45 HE2 PHE 45 -0.305 -10.849 -10.657 379 HZ PHE 45 HZ PHE 45 -2.366 -11.790 -11.632 380 H ALA 46 H ALA 46 -0.555 -6.074 -11.721 381 HA ALA 46 HA ALA 46 -0.918 -5.978 -13.965 382 1HB ALA 46 1HB ALA 46 -1.990 -7.855 -14.464 383 2HB ALA 46 2HB ALA 46 -3.523 -7.010 -14.254 384 3HB ALA 46 3HB ALA 46 -2.787 -7.853 -12.891 385 H GLY 47 H GLY 47 -1.956 -3.803 -12.149 386 1HA GLY 47 1HA GLY 47 -2.673 -1.671 -12.897 387 2HA GLY 47 2HA GLY 47 -3.533 -2.451 -14.214 388 H LYS 48 H LYS 48 -4.316 -4.316 -11.709 389 HA LYS 48 HA LYS 48 -6.769 -2.793 -11.192 390 1HB LYS 48 1HB LYS 48 -6.406 -5.422 -11.935 391 2HB LYS 48 2HB LYS 48 -6.676 -5.545 -10.201 392 1HG LYS 48 1HG LYS 48 -8.840 -4.948 -10.359 393 2HG LYS 48 2HG LYS 48 -8.538 -3.792 -11.658 394 1HD LYS 48 1HD LYS 48 -9.839 -5.523 -12.611 395 2HD LYS 48 2HD LYS 48 -8.187 -5.787 -13.174 396 1HE LYS 48 1HE LYS 48 -8.358 -7.870 -12.416 397 2HE LYS 48 2HE LYS 48 -8.353 -7.201 -10.785 398 1HZ LYS 48 1HZ LYS 48 -10.285 -8.380 -10.749 399 2HZ LYS 48 2HZ LYS 48 -10.606 -8.157 -12.394 400 3HZ LYS 48 3HZ LYS 48 -10.887 -6.898 -11.301 401 H GLN 49 H GLN 49 -7.337 -2.127 -9.199 402 HA GLN 49 HA GLN 49 -5.347 -2.331 -7.100 403 1HB GLN 49 1HB GLN 49 -6.964 -0.302 -7.865 404 2HB GLN 49 2HB GLN 49 -7.922 -0.980 -6.556 405 1HG GLN 49 1HG GLN 49 -6.111 -0.678 -5.005 406 2HG GLN 49 2HG GLN 49 -5.043 -0.145 -6.303 407 1HE2 GLN 49 1HE2 GLN 49 -6.391 1.640 -7.682 408 2HE2 GLN 49 2HE2 GLN 49 -6.901 2.968 -6.703 409 H LEU 50 H LEU 50 -5.374 -3.891 -5.637 410 HA LEU 50 HA LEU 50 -7.453 -5.774 -5.391 411 1HB LEU 50 1HB LEU 50 -5.346 -5.215 -3.314 412 2HB LEU 50 2HB LEU 50 -6.192 -6.723 -3.602 413 HG LEU 50 HG LEU 50 -4.055 -5.456 -5.303 414 1HD1 LEU 50 1HD1 LEU 50 -4.221 -8.195 -4.062 415 2HD1 LEU 50 2HD1 LEU 50 -3.402 -6.820 -3.321 416 3HD1 LEU 50 3HD1 LEU 50 -2.832 -7.460 -4.863 417 1HD2 LEU 50 1HD2 LEU 50 -4.733 -7.945 -6.377 418 2HD2 LEU 50 2HD2 LEU 50 -4.992 -6.359 -7.103 419 3HD2 LEU 50 3HD2 LEU 50 -6.264 -7.102 -6.135 420 H GLU 51 H GLU 51 -9.149 -5.955 -4.022 421 HA GLU 51 HA GLU 51 -9.712 -3.633 -2.315 422 1HB GLU 51 1HB GLU 51 -11.612 -5.753 -3.332 423 2HB GLU 51 2HB GLU 51 -12.054 -4.305 -2.440 424 1HG GLU 51 1HG GLU 51 -10.506 -3.725 -4.831 425 2HG GLU 51 2HG GLU 51 -12.010 -4.582 -5.171 426 H ASP 52 H ASP 52 -9.549 -3.839 -0.187 427 HA ASP 52 HA ASP 52 -8.702 -6.094 1.149 428 1HB ASP 52 1HB ASP 52 -8.541 -3.952 2.213 429 2HB ASP 52 2HB ASP 52 -10.288 -3.732 2.163 430 H GLY 53 H GLY 53 -9.689 -8.013 1.059 431 1HA GLY 53 1HA GLY 53 -11.582 -9.084 2.426 432 2HA GLY 53 2HA GLY 53 -12.614 -8.104 1.396 433 H ARG 54 H ARG 54 -10.257 -8.776 -0.639 434 HA ARG 54 HA ARG 54 -11.620 -11.164 -1.660 435 1HB ARG 54 1HB ARG 54 -9.636 -9.487 -3.181 436 2HB ARG 54 2HB ARG 54 -10.867 -10.570 -3.819 437 1HG ARG 54 1HG ARG 54 -11.660 -8.163 -2.237 438 2HG ARG 54 2HG ARG 54 -11.224 -8.012 -3.941 439 1HD ARG 54 1HD ARG 54 -13.154 -10.138 -3.189 440 2HD ARG 54 2HD ARG 54 -13.717 -8.467 -3.155 441 HE ARG 54 HE ARG 54 -12.414 -8.875 -5.583 442 1HH1 ARG 54 1HH1 ARG 54 -16.149 -10.301 -5.362 443 2HH1 ARG 54 2HH1 ARG 54 -15.254 -10.000 -3.909 444 1HH2 ARG 54 1HH2 ARG 54 -13.585 -9.268 -7.503 445 2HH2 ARG 54 2HH2 ARG 54 -15.201 -9.886 -7.404 446 H THR 55 H THR 55 -10.443 -12.969 -2.403 447 HA THR 55 HA THR 55 -7.954 -13.393 -0.951 448 HB THR 55 HB THR 55 -8.256 -15.745 -1.480 449 HG1 THR 55 HG1 THR 55 -9.125 -15.931 -3.421 450 1HG2 THR 55 1HG2 THR 55 -9.532 -15.578 0.356 451 2HG2 THR 55 2HG2 THR 55 -10.843 -15.878 -0.785 452 3HG2 THR 55 3HG2 THR 55 -10.471 -14.228 -0.285 453 H LEU 56 H LEU 56 -6.018 -14.009 -1.899 454 HA LEU 56 HA LEU 56 -5.172 -12.772 -4.174 455 1HB LEU 56 1HB LEU 56 -4.164 -15.434 -3.170 456 2HB LEU 56 2HB LEU 56 -3.290 -14.331 -4.214 457 HG LEU 56 HG LEU 56 -4.090 -13.789 -1.353 458 1HD1 LEU 56 1HD1 LEU 56 -1.290 -14.003 -2.374 459 2HD1 LEU 56 2HD1 LEU 56 -2.189 -15.453 -1.929 460 3HD1 LEU 56 3HD1 LEU 56 -1.902 -14.191 -0.731 461 1HD2 LEU 56 1HD2 LEU 56 -3.559 -11.645 -1.640 462 2HD2 LEU 56 2HD2 LEU 56 -3.666 -11.953 -3.373 463 3HD2 LEU 56 3HD2 LEU 56 -2.105 -12.046 -2.555 464 H SER 57 H SER 57 -6.591 -15.998 -3.917 465 HA SER 57 HA SER 57 -6.192 -16.794 -6.584 466 1HB SER 57 1HB SER 57 -6.790 -18.549 -5.176 467 2HB SER 57 2HB SER 57 -8.083 -17.627 -4.409 468 HG SER 57 HG SER 57 -8.655 -19.342 -6.012 469 H ASP 58 H ASP 58 -8.785 -14.984 -5.023 470 HA ASP 58 HA ASP 58 -10.664 -14.966 -7.063 471 1HB ASP 58 1HB ASP 58 -9.973 -12.908 -4.970 472 2HB ASP 58 2HB ASP 58 -11.316 -12.692 -6.088 473 H TYR 59 H TYR 59 -7.690 -13.162 -6.735 474 HA TYR 59 HA TYR 59 -8.308 -11.548 -9.091 475 1HB TYR 59 1HB TYR 59 -6.140 -11.458 -7.008 476 2HB TYR 59 2HB TYR 59 -5.968 -10.583 -8.526 477 HD1 TYR 59 HD1 TYR 59 -8.351 -9.285 -9.118 478 HD2 TYR 59 HD2 TYR 59 -6.786 -10.135 -5.244 479 HE1 TYR 59 HE1 TYR 59 -9.654 -7.412 -8.188 480 HE2 TYR 59 HE2 TYR 59 -8.086 -8.264 -4.303 481 HH TYR 59 HH TYR 59 -9.879 -6.050 -6.362 482 H ASN 60 H ASN 60 -7.742 -14.502 -9.107 483 HA ASN 60 HA ASN 60 -6.405 -16.043 -10.171 484 1HB ASN 60 1HB ASN 60 -6.020 -15.342 -12.609 485 2HB ASN 60 2HB ASN 60 -7.685 -15.393 -12.040 486 1HD2 ASN 60 1HD2 ASN 60 -8.889 -13.604 -12.146 487 2HD2 ASN 60 2HD2 ASN 60 -8.315 -12.054 -12.646 488 H LEU 61 H LEU 61 -4.737 -15.056 -8.462 489 HA LEU 61 HA LEU 61 -2.451 -13.829 -9.775 490 1HB LEU 61 1HB LEU 61 -3.385 -14.178 -7.027 491 2HB LEU 61 2HB LEU 61 -1.662 -14.449 -7.210 492 HG LEU 61 HG LEU 61 -2.418 -12.049 -8.603 493 1HD1 LEU 61 1HD1 LEU 61 -3.507 -12.422 -5.855 494 2HD1 LEU 61 2HD1 LEU 61 -4.191 -11.560 -7.234 495 3HD1 LEU 61 3HD1 LEU 61 -2.863 -10.846 -6.318 496 1HD2 LEU 61 1HD2 LEU 61 -0.860 -11.296 -6.504 497 2HD2 LEU 61 2HD2 LEU 61 -0.254 -11.923 -8.037 498 3HD2 LEU 61 3HD2 LEU 61 -0.449 -13.004 -6.657 499 H GLN 62 H GLN 62 -0.657 -14.866 -10.404 500 HA GLN 62 HA GLN 62 -0.571 -17.769 -10.039 501 1HB GLN 62 1HB GLN 62 1.133 -16.057 -11.852 502 2HB GLN 62 2HB GLN 62 0.980 -17.808 -11.888 503 1HG GLN 62 1HG GLN 62 -1.241 -17.688 -12.695 504 2HG GLN 62 2HG GLN 62 -1.332 -15.956 -12.382 505 1HE2 GLN 62 1HE2 GLN 62 0.074 -18.426 -14.418 506 2HE2 GLN 62 2HE2 GLN 62 0.466 -17.388 -15.741 507 H LYS 63 H LYS 63 1.816 -18.624 -9.999 508 HA LYS 63 HA LYS 63 2.912 -17.879 -7.513 509 1HB LYS 63 1HB LYS 63 3.187 -20.021 -9.220 510 2HB LYS 63 2HB LYS 63 4.761 -19.248 -9.326 511 1HG LYS 63 1HG LYS 63 5.360 -19.974 -7.313 512 2HG LYS 63 2HG LYS 63 3.831 -19.471 -6.588 513 1HD LYS 63 1HD LYS 63 2.948 -21.531 -6.732 514 2HD LYS 63 2HD LYS 63 3.620 -21.809 -8.340 515 1HE LYS 63 1HE LYS 63 5.579 -21.740 -6.146 516 2HE LYS 63 2HE LYS 63 4.440 -23.086 -6.099 517 1HZ LYS 63 1HZ LYS 63 5.067 -23.560 -8.433 518 2HZ LYS 63 2HZ LYS 63 6.345 -23.747 -7.342 519 3HZ LYS 63 3HZ LYS 63 6.268 -22.373 -8.326 520 H GLU 64 H GLU 64 4.636 -16.624 -6.953 521 HA GLU 64 HA GLU 64 6.044 -14.839 -7.091 522 1HB GLU 64 1HB GLU 64 6.989 -15.789 -9.760 523 2HB GLU 64 2HB GLU 64 7.920 -15.190 -8.394 524 1HG GLU 64 1HG GLU 64 7.138 -17.362 -7.225 525 2HG GLU 64 2HG GLU 64 6.793 -17.915 -8.864 526 H SER 65 H SER 65 3.657 -13.958 -7.732 527 HA SER 65 HA SER 65 3.518 -12.799 -10.356 528 1HB SER 65 1HB SER 65 1.844 -12.452 -7.866 529 2HB SER 65 2HB SER 65 1.520 -11.585 -9.366 530 HG SER 65 HG SER 65 0.311 -13.372 -9.550 531 H THR 66 H THR 66 3.214 -10.433 -10.662 532 HA THR 66 HA THR 66 5.113 -8.941 -8.975 533 HB THR 66 HB THR 66 4.384 -8.280 -11.827 534 HG1 THR 66 HG1 THR 66 5.449 -10.041 -12.262 535 1HG2 THR 66 1HG2 THR 66 6.896 -7.434 -11.537 536 2HG2 THR 66 2HG2 THR 66 6.332 -7.236 -9.877 537 3HG2 THR 66 3HG2 THR 66 5.491 -6.425 -11.197 538 H ILE 67 H ILE 67 4.076 -7.632 -7.622 539 HA ILE 67 HA ILE 67 1.678 -6.221 -8.598 540 HB ILE 67 HB ILE 67 2.335 -6.818 -5.713 541 1HG1 ILE 67 1HG1 ILE 67 0.029 -8.221 -6.723 542 2HG1 ILE 67 2HG1 ILE 67 1.444 -8.620 -7.693 543 1HG2 ILE 67 1HG2 ILE 67 -0.199 -5.853 -7.033 544 2HG2 ILE 67 2HG2 ILE 67 0.908 -4.871 -6.073 545 3HG2 ILE 67 3HG2 ILE 67 0.012 -6.187 -5.314 546 1HD1 ILE 67 1HD1 ILE 67 0.871 -9.197 -4.846 547 2HD1 ILE 67 2HD1 ILE 67 2.547 -8.928 -5.321 548 3HD1 ILE 67 3HD1 ILE 67 1.610 -10.211 -6.085 549 H HIS 68 H HIS 68 1.476 -4.031 -8.206 550 HA HIS 68 HA HIS 68 3.965 -2.678 -7.437 551 1HB HIS 68 1HB HIS 68 1.576 -1.509 -8.875 552 2HB HIS 68 2HB HIS 68 3.159 -0.763 -8.670 553 HD1 HIS 68 HD1 HIS 68 2.830 -0.674 -11.407 554 HD2 HIS 68 HD2 HIS 68 3.664 -4.362 -9.680 555 HE1 HIS 68 HE1 HIS 68 3.668 -2.122 -13.284 556 HE2 HIS 68 HE2 HIS 68 4.084 -4.373 -12.233 557 H LEU 69 H LEU 69 4.090 -1.514 -5.626 558 HA LEU 69 HA LEU 69 1.635 -1.145 -4.060 559 1HB LEU 69 1HB LEU 69 3.620 -2.401 -3.111 560 2HB LEU 69 2HB LEU 69 4.474 -0.870 -3.092 561 HG LEU 69 HG LEU 69 1.842 -1.170 -1.679 562 1HD1 LEU 69 1HD1 LEU 69 3.217 -1.612 0.384 563 2HD1 LEU 69 2HD1 LEU 69 4.562 -1.988 -0.693 564 3HD1 LEU 69 3HD1 LEU 69 3.090 -2.955 -0.753 565 1HD2 LEU 69 1HD2 LEU 69 3.660 0.464 -0.307 566 2HD2 LEU 69 2HD2 LEU 69 2.237 0.962 -1.221 567 3HD2 LEU 69 3HD2 LEU 69 3.811 0.885 -2.013 568 H VAL 70 H VAL 70 0.736 0.775 -4.056 569 HA VAL 70 HA VAL 70 2.454 3.142 -4.419 570 HB VAL 70 HB VAL 70 -0.366 3.583 -5.014 571 1HG1 VAL 70 1HG1 VAL 70 1.691 3.962 -7.081 572 2HG1 VAL 70 2HG1 VAL 70 1.981 4.809 -5.561 573 3HG1 VAL 70 3HG1 VAL 70 0.485 5.087 -6.455 574 1HG2 VAL 70 1HG2 VAL 70 -0.168 2.442 -7.282 575 2HG2 VAL 70 2HG2 VAL 70 -0.482 1.406 -5.890 576 3HG2 VAL 70 3HG2 VAL 70 1.142 1.501 -6.570 577 H LEU 71 H LEU 71 1.934 5.010 -3.240 578 HA LEU 71 HA LEU 71 0.571 4.447 -0.718 579 1HB LEU 71 1HB LEU 71 2.935 5.536 -1.035 580 2HB LEU 71 2HB LEU 71 2.010 7.003 -1.294 581 HG LEU 71 HG LEU 71 1.271 5.485 1.119 582 1HD1 LEU 71 1HD1 LEU 71 3.295 5.250 1.990 583 2HD1 LEU 71 2HD1 LEU 71 3.509 6.998 1.902 584 3HD1 LEU 71 3HD1 LEU 71 4.031 5.978 0.562 585 1HD2 LEU 71 1HD2 LEU 71 0.254 7.590 0.774 586 2HD2 LEU 71 2HD2 LEU 71 1.800 8.362 0.421 587 3HD2 LEU 71 3HD2 LEU 71 1.437 7.820 2.060 588 H ARG 72 H ARG 72 -1.181 5.578 0.025 589 HA ARG 72 HA ARG 72 -3.129 6.457 -1.649 590 1HB ARG 72 1HB ARG 72 -3.088 6.139 0.956 591 2HB ARG 72 2HB ARG 72 -2.801 7.874 0.969 592 1HG ARG 72 1HG ARG 72 -4.891 7.845 -0.667 593 2HG ARG 72 2HG ARG 72 -5.228 6.353 0.212 594 1HD ARG 72 1HD ARG 72 -5.084 7.579 2.330 595 2HD ARG 72 2HD ARG 72 -4.761 9.068 1.443 596 HE ARG 72 HE ARG 72 -7.188 7.845 0.594 597 1HH1 ARG 72 1HH1 ARG 72 -7.271 10.536 3.556 598 2HH1 ARG 72 2HH1 ARG 72 -5.775 9.784 3.118 599 1HH2 ARG 72 1HH2 ARG 72 -9.165 8.832 1.162 600 2HH2 ARG 72 2HH2 ARG 72 -9.200 9.995 2.445 601 H LEU 73 H LEU 73 -2.814 7.858 -3.270 602 HA LEU 73 HA LEU 73 -1.247 10.269 -2.870 603 1HB LEU 73 1HB LEU 73 -1.262 8.771 -4.969 604 2HB LEU 73 2HB LEU 73 -2.777 9.562 -5.357 605 HG LEU 73 HG LEU 73 -0.008 10.647 -5.396 606 1HD1 LEU 73 1HD1 LEU 73 -2.457 10.793 -7.123 607 2HD1 LEU 73 2HD1 LEU 73 -0.872 10.119 -7.505 608 3HD1 LEU 73 3HD1 LEU 73 -1.077 11.865 -7.366 609 1HD2 LEU 73 1HD2 LEU 73 -0.727 12.914 -5.175 610 2HD2 LEU 73 2HD2 LEU 73 -1.255 12.034 -3.741 611 3HD2 LEU 73 3HD2 LEU 73 -2.412 12.420 -5.014 612 H ARG 74 H ARG 74 -2.485 11.501 -1.457 613 HA ARG 74 HA ARG 74 -5.050 12.467 -2.542 614 1HB ARG 74 1HB ARG 74 -4.296 11.544 0.118 615 2HB ARG 74 2HB ARG 74 -5.025 13.144 0.150 616 1HG ARG 74 1HG ARG 74 -6.432 11.178 -1.514 617 2HG ARG 74 2HG ARG 74 -6.408 10.822 0.214 618 1HD ARG 74 1HD ARG 74 -8.370 12.125 -0.313 619 2HD ARG 74 2HD ARG 74 -7.265 13.093 0.662 620 HE ARG 74 HE ARG 74 -7.164 14.572 -1.064 621 1HH1 ARG 74 1HH1 ARG 74 -8.334 12.053 -3.947 622 2HH1 ARG 74 2HH1 ARG 74 -8.106 11.470 -2.333 623 1HH2 ARG 74 1HH2 ARG 74 -7.460 15.353 -3.186 624 2HH2 ARG 74 2HH2 ARG 74 -7.966 14.262 -4.433 625 H GLY 75 H GLY 75 -5.416 14.650 -2.645 626 1HA GLY 75 1HA GLY 75 -4.956 16.921 -2.069 627 2HA GLY 75 2HA GLY 75 -3.330 16.442 -1.608 628 H GLY 76 H GLY 76 -2.471 15.060 -3.811 629 1HA GLY 76 1HA GLY 76 -2.905 16.781 -6.133 630 2HA GLY 76 2HA GLY 76 -1.280 16.735 -5.466 Start of MODEL 10 1 1H MET 1 1H MET 1 3.073 -19.769 -0.397 2 2H MET 1 2H MET 1 1.942 -20.029 -1.663 3 3H MET 1 3H MET 1 2.335 -18.432 -1.173 4 HA MET 1 HA MET 1 4.492 -20.155 -2.046 5 1HB MET 1 1HB MET 1 4.014 -19.717 -4.381 6 2HB MET 1 2HB MET 1 2.644 -20.544 -3.653 7 1HG MET 1 1HG MET 1 2.040 -17.876 -3.317 8 2HG MET 1 2HG MET 1 2.795 -17.938 -4.909 9 1HE MET 1 1HE MET 1 -1.038 -17.604 -4.542 10 2HE MET 1 2HE MET 1 -0.421 -17.560 -6.194 11 3HE MET 1 3HE MET 1 0.482 -16.782 -4.894 12 H GLN 2 H GLN 2 5.963 -18.758 -3.427 13 HA GLN 2 HA GLN 2 6.535 -16.360 -1.993 14 1HB GLN 2 1HB GLN 2 8.088 -18.070 -3.322 15 2HB GLN 2 2HB GLN 2 7.832 -16.908 -4.615 16 1HG GLN 2 1HG GLN 2 9.600 -15.864 -3.752 17 2HG GLN 2 2HG GLN 2 8.467 -15.275 -2.537 18 1HE2 GLN 2 1HE2 GLN 2 8.126 -17.897 -1.332 19 2HE2 GLN 2 2HE2 GLN 2 9.566 -18.206 -0.430 20 H LEU 3 H LEU 3 6.251 -14.254 -2.561 21 HA LEU 3 HA LEU 3 5.061 -13.657 -5.171 22 1HB LEU 3 1HB LEU 3 3.916 -12.903 -2.490 23 2HB LEU 3 2HB LEU 3 3.480 -12.073 -3.971 24 HG LEU 3 HG LEU 3 3.153 -15.047 -3.734 25 1HD1 LEU 3 1HD1 LEU 3 0.970 -14.812 -2.864 26 2HD1 LEU 3 2HD1 LEU 3 1.014 -13.057 -3.028 27 3HD1 LEU 3 3HD1 LEU 3 2.021 -13.854 -1.819 28 1HD2 LEU 3 1HD2 LEU 3 1.715 -14.836 -5.547 29 2HD2 LEU 3 2HD2 LEU 3 2.996 -13.681 -5.917 30 3HD2 LEU 3 3HD2 LEU 3 1.457 -13.114 -5.269 31 H PHE 4 H PHE 4 5.745 -11.783 -6.062 32 HA PHE 4 HA PHE 4 7.761 -10.278 -4.576 33 1HB PHE 4 1HB PHE 4 7.040 -10.376 -7.508 34 2HB PHE 4 2HB PHE 4 8.219 -9.250 -6.844 35 HD1 PHE 4 HD1 PHE 4 8.507 -11.573 -8.936 36 HD2 PHE 4 HD2 PHE 4 9.386 -11.186 -4.782 37 HE1 PHE 4 HE1 PHE 4 10.262 -13.291 -9.152 38 HE2 PHE 4 HE2 PHE 4 11.144 -12.902 -4.990 39 HZ PHE 4 HZ PHE 4 11.583 -13.956 -7.177 40 H VAL 5 H VAL 5 7.525 -8.205 -3.958 41 HA VAL 5 HA VAL 5 5.132 -6.751 -4.867 42 HB VAL 5 HB VAL 5 6.164 -6.500 -2.055 43 1HG1 VAL 5 1HG1 VAL 5 3.470 -6.059 -2.042 44 2HG1 VAL 5 2HG1 VAL 5 3.935 -5.441 -3.627 45 3HG1 VAL 5 3HG1 VAL 5 4.703 -4.805 -2.173 46 1HG2 VAL 5 1HG2 VAL 5 5.415 -8.895 -2.796 47 2HG2 VAL 5 2HG2 VAL 5 3.796 -8.207 -2.674 48 3HG2 VAL 5 3HG2 VAL 5 4.857 -8.221 -1.265 49 H LYS 6 H LYS 6 6.014 -5.224 -6.140 50 HA LYS 6 HA LYS 6 8.442 -3.847 -5.290 51 1HB LYS 6 1HB LYS 6 8.561 -2.967 -7.503 52 2HB LYS 6 2HB LYS 6 8.136 -4.667 -7.649 53 1HG LYS 6 1HG LYS 6 5.905 -4.171 -8.203 54 2HG LYS 6 2HG LYS 6 6.067 -2.492 -7.683 55 1HD LYS 6 1HD LYS 6 7.263 -3.806 -10.111 56 2HD LYS 6 2HD LYS 6 6.115 -2.468 -10.052 57 1HE LYS 6 1HE LYS 6 7.923 -1.171 -8.826 58 2HE LYS 6 2HE LYS 6 9.027 -2.460 -9.302 59 1HZ LYS 6 1HZ LYS 6 8.647 -0.313 -10.771 60 2HZ LYS 6 2HZ LYS 6 7.396 -1.259 -11.403 61 3HZ LYS 6 3HZ LYS 6 8.991 -1.821 -11.460 62 H THR 7 H THR 7 8.572 -1.568 -5.117 63 HA THR 7 HA THR 7 5.985 -0.273 -4.552 64 HB THR 7 HB THR 7 7.023 0.999 -2.822 65 HG1 THR 7 HG1 THR 7 9.519 -0.194 -3.328 66 1HG2 THR 7 1HG2 THR 7 7.849 -1.878 -2.715 67 2HG2 THR 7 2HG2 THR 7 6.497 -1.087 -1.905 68 3HG2 THR 7 3HG2 THR 7 8.151 -0.758 -1.387 69 H LEU 8 H LEU 8 6.673 2.312 -4.350 70 HA LEU 8 HA LEU 8 7.311 2.990 -7.104 71 1HB LEU 8 1HB LEU 8 5.445 3.956 -5.420 72 2HB LEU 8 2HB LEU 8 6.727 5.115 -5.126 73 HG LEU 8 HG LEU 8 6.794 5.609 -7.558 74 1HD1 LEU 8 1HD1 LEU 8 5.910 3.442 -8.327 75 2HD1 LEU 8 2HD1 LEU 8 5.031 4.813 -9.007 76 3HD1 LEU 8 3HD1 LEU 8 4.327 3.881 -7.684 77 1HD2 LEU 8 1HD2 LEU 8 3.968 5.976 -6.679 78 2HD2 LEU 8 2HD2 LEU 8 5.058 7.114 -7.471 79 3HD2 LEU 8 3HD2 LEU 8 5.270 6.735 -5.763 80 H THR 9 H THR 9 9.325 2.134 -4.985 81 HA THR 9 HA THR 9 11.116 4.462 -5.238 82 HB THR 9 HB THR 9 12.142 3.913 -3.176 83 HG1 THR 9 HG1 THR 9 11.458 1.967 -2.048 84 1HG2 THR 9 1HG2 THR 9 9.834 3.219 -1.818 85 2HG2 THR 9 2HG2 THR 9 9.265 4.127 -3.219 86 3HG2 THR 9 3HG2 THR 9 10.439 4.849 -2.118 87 H GLY 10 H GLY 10 10.522 1.499 -6.492 88 1HA GLY 10 1HA GLY 10 11.864 0.422 -8.087 89 2HA GLY 10 2HA GLY 10 13.268 1.257 -7.438 90 H LYS 11 H LYS 11 11.855 0.199 -4.756 91 HA LYS 11 HA LYS 11 13.633 -2.068 -4.540 92 1HB LYS 11 1HB LYS 11 12.584 -0.192 -2.751 93 2HB LYS 11 2HB LYS 11 11.839 -1.717 -2.291 94 1HG LYS 11 1HG LYS 11 14.406 -2.497 -2.588 95 2HG LYS 11 2HG LYS 11 14.628 -0.827 -2.058 96 1HD LYS 11 1HD LYS 11 13.175 -3.048 -0.641 97 2HD LYS 11 2HD LYS 11 14.592 -2.150 -0.094 98 1HE LYS 11 1HE LYS 11 13.196 -0.813 1.010 99 2HE LYS 11 2HE LYS 11 12.669 -0.200 -0.556 100 1HZ LYS 11 1HZ LYS 11 10.700 -0.865 0.378 101 2HZ LYS 11 2HZ LYS 11 11.382 -2.184 1.189 102 3HZ LYS 11 3HZ LYS 11 11.118 -2.263 -0.481 103 H THR 12 H THR 12 13.085 -4.190 -4.410 104 HA THR 12 HA THR 12 10.235 -4.847 -4.776 105 HB THR 12 HB THR 12 12.563 -6.459 -5.823 106 HG1 THR 12 HG1 THR 12 10.964 -4.541 -7.164 107 1HG2 THR 12 1HG2 THR 12 11.054 -7.965 -6.384 108 2HG2 THR 12 2HG2 THR 12 10.231 -6.760 -7.374 109 3HG2 THR 12 3HG2 THR 12 9.773 -6.975 -5.684 110 H LEU 13 H LEU 13 9.383 -5.931 -3.140 111 HA LEU 13 HA LEU 13 11.153 -7.327 -1.274 112 1HB LEU 13 1HB LEU 13 8.761 -5.787 -1.014 113 2HB LEU 13 2HB LEU 13 8.453 -7.402 -0.405 114 HG LEU 13 HG LEU 13 10.971 -6.447 0.608 115 1HD1 LEU 13 1HD1 LEU 13 10.488 -4.460 1.612 116 2HD1 LEU 13 2HD1 LEU 13 8.752 -4.768 1.642 117 3HD1 LEU 13 3HD1 LEU 13 9.535 -4.280 0.139 118 1HD2 LEU 13 1HD2 LEU 13 10.203 -7.901 2.105 119 2HD2 LEU 13 2HD2 LEU 13 8.555 -7.771 1.491 120 3HD2 LEU 13 3HD2 LEU 13 9.145 -6.614 2.685 121 H THR 14 H THR 14 10.114 -9.349 -0.254 122 HA THR 14 HA THR 14 8.609 -10.943 -2.180 123 HB THR 14 HB THR 14 11.276 -11.824 -1.058 124 HG1 THR 14 HG1 THR 14 11.757 -10.555 -2.739 125 1HG2 THR 14 1HG2 THR 14 10.676 -13.540 -3.079 126 2HG2 THR 14 2HG2 THR 14 9.102 -13.308 -2.316 127 3HG2 THR 14 3HG2 THR 14 10.470 -13.879 -1.360 128 H VAL 15 H VAL 15 6.911 -11.527 -0.991 129 HA VAL 15 HA VAL 15 7.401 -12.539 1.734 130 HB VAL 15 HB VAL 15 5.175 -11.837 2.363 131 1HG1 VAL 15 1HG1 VAL 15 7.001 -9.817 1.144 132 2HG1 VAL 15 2HG1 VAL 15 6.617 -10.111 2.841 133 3HG1 VAL 15 3HG1 VAL 15 5.449 -9.297 1.800 134 1HG2 VAL 15 1HG2 VAL 15 3.620 -10.823 0.924 135 2HG2 VAL 15 2HG2 VAL 15 4.255 -12.190 0.009 136 3HG2 VAL 15 3HG2 VAL 15 4.827 -10.557 -0.334 137 H GLU 16 H GLU 16 6.049 -14.285 2.459 138 HA GLU 16 HA GLU 16 5.345 -16.090 0.266 139 1HB GLU 16 1HB GLU 16 5.886 -16.534 3.198 140 2HB GLU 16 2HB GLU 16 5.223 -17.792 2.163 141 1HG GLU 16 1HG GLU 16 7.432 -18.302 2.032 142 2HG GLU 16 2HG GLU 16 7.303 -17.192 0.668 143 H LEU 17 H LEU 17 3.306 -15.833 -0.394 144 HA LEU 17 HA LEU 17 1.185 -16.010 1.628 145 1HB LEU 17 1HB LEU 17 1.779 -13.707 0.096 146 2HB LEU 17 2HB LEU 17 0.300 -14.383 -0.557 147 HG LEU 17 HG LEU 17 -0.767 -14.257 1.621 148 1HD1 LEU 17 1HD1 LEU 17 0.634 -14.523 3.356 149 2HD1 LEU 17 2HD1 LEU 17 0.774 -12.766 3.274 150 3HD1 LEU 17 3HD1 LEU 17 1.992 -13.786 2.508 151 1HD2 LEU 17 1HD2 LEU 17 -0.899 -11.857 1.850 152 2HD2 LEU 17 2HD2 LEU 17 -0.810 -12.286 0.142 153 3HD2 LEU 17 3HD2 LEU 17 0.616 -11.660 0.968 154 H GLU 18 H GLU 18 -0.628 -17.146 1.013 155 HA GLU 18 HA GLU 18 -0.330 -18.736 -1.420 156 1HB GLU 18 1HB GLU 18 -1.830 -19.070 1.145 157 2HB GLU 18 2HB GLU 18 -2.357 -19.950 -0.277 158 1HG GLU 18 1HG GLU 18 -0.768 -21.451 -0.003 159 2HG GLU 18 2HG GLU 18 0.475 -20.206 0.066 160 HA PRO 19 HA PRO 19 -3.643 -16.906 -3.659 161 1HB PRO 19 1HB PRO 19 -5.094 -19.056 -4.518 162 2HB PRO 19 2HB PRO 19 -3.545 -18.579 -5.219 163 1HG PRO 19 1HG PRO 19 -4.138 -20.702 -3.193 164 2HG PRO 19 2HG PRO 19 -3.046 -20.760 -4.589 165 1HD PRO 19 1HD PRO 19 -2.140 -20.371 -2.082 166 2HD PRO 19 2HD PRO 19 -1.373 -19.604 -3.487 167 H SER 20 H SER 20 -4.357 -18.942 -0.977 168 HA SER 20 HA SER 20 -7.189 -18.334 -0.953 169 1HB SER 20 1HB SER 20 -7.217 -19.641 1.144 170 2HB SER 20 2HB SER 20 -6.438 -20.529 -0.166 171 HG SER 20 HG SER 20 -5.322 -20.525 1.923 172 H ASP 21 H ASP 21 -4.298 -16.948 0.215 173 HA ASP 21 HA ASP 21 -5.203 -15.678 2.551 174 1HB ASP 21 1HB ASP 21 -3.031 -14.958 0.580 175 2HB ASP 21 2HB ASP 21 -3.320 -14.043 2.058 176 H THR 22 H THR 22 -5.331 -13.213 2.721 177 HA THR 22 HA THR 22 -6.981 -12.166 0.515 178 HB THR 22 HB THR 22 -8.507 -11.221 2.015 179 HG1 THR 22 HG1 THR 22 -7.951 -10.498 3.903 180 1HG2 THR 22 1HG2 THR 22 -9.151 -13.408 2.168 181 2HG2 THR 22 2HG2 THR 22 -8.857 -13.023 3.864 182 3HG2 THR 22 3HG2 THR 22 -7.648 -13.913 2.939 183 H VAL 23 H VAL 23 -7.041 -9.801 0.367 184 HA VAL 23 HA VAL 23 -4.551 -8.644 0.157 185 HB VAL 23 HB VAL 23 -7.191 -7.245 0.616 186 1HG1 VAL 23 1HG1 VAL 23 -6.181 -5.254 -0.243 187 2HG1 VAL 23 2HG1 VAL 23 -4.673 -6.103 -0.581 188 3HG1 VAL 23 3HG1 VAL 23 -5.181 -5.839 1.087 189 1HG2 VAL 23 1HG2 VAL 23 -7.401 -7.125 -1.737 190 2HG2 VAL 23 2HG2 VAL 23 -6.965 -8.795 -1.372 191 3HG2 VAL 23 3HG2 VAL 23 -5.744 -7.680 -1.987 192 H GLU 24 H GLU 24 -6.722 -8.706 2.918 193 HA GLU 24 HA GLU 24 -5.497 -6.766 4.509 194 1HB GLU 24 1HB GLU 24 -7.297 -9.062 4.958 195 2HB GLU 24 2HB GLU 24 -6.362 -8.558 6.359 196 1HG GLU 24 1HG GLU 24 -7.330 -6.189 5.296 197 2HG GLU 24 2HG GLU 24 -8.667 -7.327 5.130 198 H ASN 25 H ASN 25 -4.834 -10.232 4.194 199 HA ASN 25 HA ASN 25 -2.835 -10.367 6.175 200 1HB ASN 25 1HB ASN 25 -3.021 -12.100 3.705 201 2HB ASN 25 2HB ASN 25 -2.271 -12.511 5.244 202 1HD2 ASN 25 1HD2 ASN 25 -3.668 -12.717 7.103 203 2HD2 ASN 25 2HD2 ASN 25 -5.297 -13.249 6.885 204 H LEU 26 H LEU 26 -2.641 -9.915 2.656 205 HA LEU 26 HA LEU 26 0.094 -9.888 2.322 206 1HB LEU 26 1HB LEU 26 -1.465 -9.764 0.458 207 2HB LEU 26 2HB LEU 26 -1.972 -8.162 0.957 208 HG LEU 26 HG LEU 26 -0.067 -7.150 0.152 209 1HD1 LEU 26 1HD1 LEU 26 1.279 -9.802 0.555 210 2HD1 LEU 26 2HD1 LEU 26 1.632 -8.258 1.329 211 3HD1 LEU 26 3HD1 LEU 26 2.024 -8.500 -0.372 212 1HD2 LEU 26 1HD2 LEU 26 -1.054 -7.802 -1.826 213 2HD2 LEU 26 2HD2 LEU 26 -0.759 -9.516 -1.532 214 3HD2 LEU 26 3HD2 LEU 26 0.571 -8.461 -2.008 215 H LYS 27 H LYS 27 -1.961 -7.029 2.908 216 HA LYS 27 HA LYS 27 0.126 -5.194 3.210 217 1HB LYS 27 1HB LYS 27 -2.722 -5.258 4.158 218 2HB LYS 27 2HB LYS 27 -1.655 -3.948 4.643 219 1HG LYS 27 1HG LYS 27 -1.801 -2.949 2.658 220 2HG LYS 27 2HG LYS 27 -1.577 -4.466 1.782 221 1HD LYS 27 1HD LYS 27 -3.960 -5.019 2.275 222 2HD LYS 27 2HD LYS 27 -4.140 -3.401 2.958 223 1HE LYS 27 1HE LYS 27 -3.200 -2.613 0.670 224 2HE LYS 27 2HE LYS 27 -3.675 -4.218 0.118 225 1HZ LYS 27 1HZ LYS 27 -5.911 -3.562 1.263 226 2HZ LYS 27 2HZ LYS 27 -5.565 -3.039 -0.307 227 3HZ LYS 27 3HZ LYS 27 -5.356 -1.986 1.000 228 H ALA 28 H ALA 28 -1.386 -7.383 5.499 229 HA ALA 28 HA ALA 28 -0.386 -6.344 7.887 230 1HB ALA 28 1HB ALA 28 -0.822 -8.496 8.852 231 2HB ALA 28 2HB ALA 28 -0.800 -9.265 7.265 232 3HB ALA 28 3HB ALA 28 -2.096 -8.144 7.683 233 H LYS 29 H LYS 29 1.087 -8.496 5.516 234 HA LYS 29 HA LYS 29 3.415 -9.057 7.068 235 1HB LYS 29 1HB LYS 29 3.035 -9.264 4.075 236 2HB LYS 29 2HB LYS 29 4.309 -10.026 5.017 237 1HG LYS 29 1HG LYS 29 1.364 -10.631 5.146 238 2HG LYS 29 2HG LYS 29 2.635 -11.656 4.474 239 1HD LYS 29 1HD LYS 29 3.635 -11.914 6.662 240 2HD LYS 29 2HD LYS 29 2.458 -10.799 7.360 241 1HE LYS 29 1HE LYS 29 0.790 -12.573 6.227 242 2HE LYS 29 2HE LYS 29 2.160 -13.629 6.571 243 1HZ LYS 29 1HZ LYS 29 1.855 -13.459 8.785 244 2HZ LYS 29 2HZ LYS 29 0.261 -13.120 8.334 245 3HZ LYS 29 3HZ LYS 29 1.316 -11.856 8.719 246 H ILE 30 H ILE 30 2.636 -6.757 4.495 247 HA ILE 30 HA ILE 30 5.219 -5.689 4.168 248 HB ILE 30 HB ILE 30 2.603 -4.233 3.773 249 1HG1 ILE 30 1HG1 ILE 30 4.118 -6.152 2.007 250 2HG1 ILE 30 2HG1 ILE 30 2.428 -6.228 2.499 251 1HG2 ILE 30 1HG2 ILE 30 4.917 -3.034 3.766 252 2HG2 ILE 30 2HG2 ILE 30 3.741 -2.688 2.497 253 3HG2 ILE 30 3HG2 ILE 30 5.087 -3.783 2.178 254 1HD1 ILE 30 1HD1 ILE 30 1.904 -5.263 0.584 255 2HD1 ILE 30 2HD1 ILE 30 3.604 -4.982 0.204 256 3HD1 ILE 30 3HD1 ILE 30 2.705 -3.799 1.154 257 H GLN 31 H GLN 31 2.785 -5.188 6.580 258 HA GLN 31 HA GLN 31 3.996 -2.750 7.582 259 1HB GLN 31 1HB GLN 31 1.499 -3.245 7.606 260 2HB GLN 31 2HB GLN 31 1.831 -4.379 8.909 261 1HG GLN 31 1HG GLN 31 3.070 -2.189 9.861 262 2HG GLN 31 2HG GLN 31 1.782 -1.438 8.919 263 1HE2 GLN 31 1HE2 GLN 31 -0.072 -3.617 9.304 264 2HE2 GLN 31 2HE2 GLN 31 -0.623 -3.514 10.938 265 H ASP 32 H ASP 32 4.094 -6.159 8.191 266 HA ASP 32 HA ASP 32 5.381 -5.844 10.774 267 1HB ASP 32 1HB ASP 32 3.901 -7.885 9.528 268 2HB ASP 32 2HB ASP 32 5.525 -8.518 9.763 269 H LYS 33 H LYS 33 6.225 -6.420 7.455 270 HA LYS 33 HA LYS 33 9.000 -7.008 8.194 271 1HB LYS 33 1HB LYS 33 7.324 -7.497 5.791 272 2HB LYS 33 2HB LYS 33 9.037 -7.202 5.520 273 1HG LYS 33 1HG LYS 33 8.480 -9.125 7.652 274 2HG LYS 33 2HG LYS 33 7.925 -9.626 6.053 275 1HD LYS 33 1HD LYS 33 10.685 -8.528 6.436 276 2HD LYS 33 2HD LYS 33 10.335 -10.221 6.794 277 1HE LYS 33 1HE LYS 33 9.233 -9.418 4.243 278 2HE LYS 33 2HE LYS 33 10.972 -9.135 4.316 279 1HZ LYS 33 1HZ LYS 33 9.493 -11.667 4.504 280 2HZ LYS 33 2HZ LYS 33 10.992 -11.532 5.278 281 3HZ LYS 33 3HZ LYS 33 10.879 -11.296 3.607 282 H GLU 34 H GLU 34 7.129 -4.831 6.090 283 HA GLU 34 HA GLU 34 9.466 -3.107 5.789 284 1HB GLU 34 1HB GLU 34 7.490 -3.819 4.031 285 2HB GLU 34 2HB GLU 34 6.938 -2.239 4.570 286 1HG GLU 34 1HG GLU 34 8.867 -1.170 3.777 287 2HG GLU 34 2HG GLU 34 9.739 -2.693 3.604 288 H GLY 35 H GLY 35 6.104 -2.932 6.931 289 1HA GLY 35 1HA GLY 35 5.563 -1.761 8.959 290 2HA GLY 35 2HA GLY 35 6.912 -0.680 8.646 291 H ILE 36 H ILE 36 4.701 -1.594 6.115 292 HA ILE 36 HA ILE 36 3.807 1.193 5.963 293 HB ILE 36 HB ILE 36 3.546 -1.002 3.905 294 1HG1 ILE 36 1HG1 ILE 36 5.850 -0.539 4.039 295 2HG1 ILE 36 2HG1 ILE 36 5.284 0.474 2.715 296 1HG2 ILE 36 1HG2 ILE 36 2.406 0.413 2.589 297 2HG2 ILE 36 2HG2 ILE 36 3.368 1.807 3.082 298 3HG2 ILE 36 3HG2 ILE 36 2.039 1.249 4.097 299 1HD1 ILE 36 1HD1 ILE 36 5.008 2.139 4.852 300 2HD1 ILE 36 2HD1 ILE 36 6.389 2.101 3.756 301 3HD1 ILE 36 3HD1 ILE 36 6.448 1.216 5.280 302 HA PRO 37 HA PRO 37 -0.158 0.016 7.586 303 1HB PRO 37 1HB PRO 37 -1.156 2.474 6.321 304 2HB PRO 37 2HB PRO 37 -1.108 2.033 8.029 305 1HG PRO 37 1HG PRO 37 0.515 3.916 6.990 306 2HG PRO 37 2HG PRO 37 1.018 2.862 8.323 307 1HD PRO 37 1HD PRO 37 1.711 2.710 5.419 308 2HD PRO 37 2HD PRO 37 2.726 2.395 6.843 309 HA PRO 38 HA PRO 38 -2.232 -1.869 4.163 310 1HB PRO 38 1HB PRO 38 -4.710 -1.653 5.743 311 2HB PRO 38 2HB PRO 38 -3.872 -3.094 5.163 312 1HG PRO 38 1HG PRO 38 -3.875 -2.412 7.760 313 2HG PRO 38 2HG PRO 38 -2.470 -3.178 6.995 314 1HD PRO 38 1HD PRO 38 -2.916 -0.302 7.700 315 2HD PRO 38 2HD PRO 38 -1.443 -1.285 7.841 316 H ASP 39 H ASP 39 -3.981 0.771 5.786 317 HA ASP 39 HA ASP 39 -5.669 1.401 3.619 318 1HB ASP 39 1HB ASP 39 -5.704 2.132 6.160 319 2HB ASP 39 2HB ASP 39 -4.812 3.520 5.544 320 H GLN 40 H GLN 40 -2.351 1.875 4.036 321 HA GLN 40 HA GLN 40 -2.314 4.023 2.022 322 1HB GLN 40 1HB GLN 40 -0.295 3.244 4.125 323 2HB GLN 40 2HB GLN 40 0.072 4.356 2.812 324 1HG GLN 40 1HG GLN 40 -1.557 5.918 3.588 325 2HG GLN 40 2HG GLN 40 -2.157 4.773 4.787 326 1HE2 GLN 40 1HE2 GLN 40 -1.772 6.209 6.471 327 2HE2 GLN 40 2HE2 GLN 40 -0.178 6.551 7.043 328 H GLN 41 H GLN 41 -2.515 1.000 1.744 329 HA GLN 41 HA GLN 41 -0.152 0.618 0.026 330 1HB GLN 41 1HB GLN 41 -1.681 -1.246 1.780 331 2HB GLN 41 2HB GLN 41 -0.978 -1.890 0.303 332 1HG GLN 41 1HG GLN 41 1.224 -1.143 1.006 333 2HG GLN 41 2HG GLN 41 0.531 -0.448 2.471 334 1HE2 GLN 41 1HE2 GLN 41 0.545 -1.668 4.218 335 2HE2 GLN 41 2HE2 GLN 41 0.728 -3.385 4.258 336 H ARG 42 H ARG 42 -0.937 1.395 -1.897 337 HA ARG 42 HA ARG 42 -3.482 0.352 -2.891 338 1HB ARG 42 1HB ARG 42 -1.813 2.715 -3.459 339 2HB ARG 42 2HB ARG 42 -2.574 1.989 -4.868 340 1HG ARG 42 1HG ARG 42 -4.586 2.109 -2.945 341 2HG ARG 42 2HG ARG 42 -3.719 3.640 -2.808 342 1HD ARG 42 1HD ARG 42 -3.890 3.530 -5.455 343 2HD ARG 42 2HD ARG 42 -5.297 2.539 -5.070 344 HE ARG 42 HE ARG 42 -5.283 4.962 -3.577 345 1HH1 ARG 42 1HH1 ARG 42 -7.122 4.859 -7.132 346 2HH1 ARG 42 2HH1 ARG 42 -5.966 3.635 -6.723 347 1HH2 ARG 42 1HH2 ARG 42 -6.804 6.577 -4.103 348 2HH2 ARG 42 2HH2 ARG 42 -7.598 6.533 -5.642 349 H LEU 43 H LEU 43 -3.029 -1.744 -3.477 350 HA LEU 43 HA LEU 43 -0.761 -2.287 -5.215 351 1HB LEU 43 1HB LEU 43 -2.878 -4.152 -4.139 352 2HB LEU 43 2HB LEU 43 -1.432 -4.634 -5.006 353 HG LEU 43 HG LEU 43 -1.529 -3.335 -2.284 354 1HD1 LEU 43 1HD1 LEU 43 -0.503 -5.510 -1.597 355 2HD1 LEU 43 2HD1 LEU 43 -0.872 -6.123 -3.209 356 3HD1 LEU 43 3HD1 LEU 43 -2.178 -5.621 -2.135 357 1HD2 LEU 43 1HD2 LEU 43 0.410 -2.584 -3.586 358 2HD2 LEU 43 2HD2 LEU 43 0.851 -4.266 -3.886 359 3HD2 LEU 43 3HD2 LEU 43 0.883 -3.625 -2.244 360 H ILE 44 H ILE 44 -0.874 -2.356 -7.351 361 HA ILE 44 HA ILE 44 -3.531 -2.573 -8.611 362 HB ILE 44 HB ILE 44 -1.121 -1.157 -9.749 363 1HG1 ILE 44 1HG1 ILE 44 -2.008 -0.017 -7.734 364 2HG1 ILE 44 2HG1 ILE 44 -2.243 0.931 -9.200 365 1HG2 ILE 44 1HG2 ILE 44 -3.555 -0.286 -10.886 366 2HG2 ILE 44 2HG2 ILE 44 -3.573 -2.050 -10.891 367 3HG2 ILE 44 3HG2 ILE 44 -2.245 -1.180 -11.659 368 1HD1 ILE 44 1HD1 ILE 44 -4.586 -0.121 -9.246 369 2HD1 ILE 44 2HD1 ILE 44 -4.251 1.155 -8.076 370 3HD1 ILE 44 3HD1 ILE 44 -4.266 -0.531 -7.561 371 H PHE 45 H PHE 45 -3.195 -4.903 -8.572 372 HA PHE 45 HA PHE 45 -1.047 -6.028 -10.126 373 1HB PHE 45 1HB PHE 45 -1.930 -7.246 -8.199 374 2HB PHE 45 2HB PHE 45 -3.521 -7.314 -8.949 375 HD1 PHE 45 HD1 PHE 45 -4.114 -9.240 -10.049 376 HD2 PHE 45 HD2 PHE 45 0.018 -8.237 -9.707 377 HE1 PHE 45 HE1 PHE 45 -3.511 -11.366 -11.142 378 HE2 PHE 45 HE2 PHE 45 0.627 -10.361 -10.800 379 HZ PHE 45 HZ PHE 45 -1.138 -11.928 -11.519 380 H ALA 46 H ALA 46 -1.029 -6.137 -12.262 381 HA ALA 46 HA ALA 46 -1.737 -5.995 -14.435 382 1HB ALA 46 1HB ALA 46 -2.826 -7.884 -15.112 383 2HB ALA 46 2HB ALA 46 -4.005 -7.808 -13.803 384 3HB ALA 46 3HB ALA 46 -2.367 -8.378 -13.482 385 H GLY 47 H GLY 47 -2.656 -3.819 -13.083 386 1HA GLY 47 1HA GLY 47 -4.156 -2.099 -13.344 387 2HA GLY 47 2HA GLY 47 -4.858 -3.011 -14.671 388 H LYS 48 H LYS 48 -4.604 -4.188 -11.374 389 HA LYS 48 HA LYS 48 -7.498 -3.804 -11.028 390 1HB LYS 48 1HB LYS 48 -6.120 -6.301 -11.369 391 2HB LYS 48 2HB LYS 48 -6.808 -6.231 -9.753 392 1HG LYS 48 1HG LYS 48 -8.937 -6.310 -10.505 393 2HG LYS 48 2HG LYS 48 -8.571 -5.398 -11.971 394 1HD LYS 48 1HD LYS 48 -7.191 -7.903 -12.045 395 2HD LYS 48 2HD LYS 48 -8.896 -8.189 -11.688 396 1HE LYS 48 1HE LYS 48 -9.605 -7.253 -13.682 397 2HE LYS 48 2HE LYS 48 -8.127 -6.313 -13.883 398 1HZ LYS 48 1HZ LYS 48 -7.295 -7.927 -15.123 399 2HZ LYS 48 2HZ LYS 48 -8.734 -8.802 -14.976 400 3HZ LYS 48 3HZ LYS 48 -7.480 -9.047 -13.869 401 H GLN 49 H GLN 49 -7.696 -2.499 -9.338 402 HA GLN 49 HA GLN 49 -5.714 -2.299 -7.286 403 1HB GLN 49 1HB GLN 49 -7.301 -0.466 -8.179 404 2HB GLN 49 2HB GLN 49 -8.493 -1.170 -7.094 405 1HG GLN 49 1HG GLN 49 -6.846 -0.837 -5.231 406 2HG GLN 49 2HG GLN 49 -5.862 0.085 -6.368 407 1HE2 GLN 49 1HE2 GLN 49 -7.708 1.503 -7.747 408 2HE2 GLN 49 2HE2 GLN 49 -8.541 2.591 -6.694 409 H LEU 50 H LEU 50 -5.488 -4.055 -6.016 410 HA LEU 50 HA LEU 50 -7.387 -5.897 -5.257 411 1HB LEU 50 1HB LEU 50 -5.122 -4.954 -3.503 412 2HB LEU 50 2HB LEU 50 -5.919 -6.514 -3.445 413 HG LEU 50 HG LEU 50 -4.060 -5.475 -5.572 414 1HD1 LEU 50 1HD1 LEU 50 -2.941 -7.693 -4.994 415 2HD1 LEU 50 2HD1 LEU 50 -3.979 -7.706 -3.568 416 3HD1 LEU 50 3HD1 LEU 50 -2.826 -6.393 -3.808 417 1HD2 LEU 50 1HD2 LEU 50 -5.110 -6.712 -7.087 418 2HD2 LEU 50 2HD2 LEU 50 -6.272 -7.267 -5.882 419 3HD2 LEU 50 3HD2 LEU 50 -4.760 -8.142 -6.115 420 H GLU 51 H GLU 51 -9.187 -5.771 -4.106 421 HA GLU 51 HA GLU 51 -9.591 -3.465 -2.348 422 1HB GLU 51 1HB GLU 51 -11.676 -5.485 -3.153 423 2HB GLU 51 2HB GLU 51 -11.924 -3.855 -2.541 424 1HG GLU 51 1HG GLU 51 -10.440 -4.195 -5.091 425 2HG GLU 51 2HG GLU 51 -12.187 -4.432 -5.093 426 H ASP 52 H ASP 52 -9.201 -3.724 -0.255 427 HA ASP 52 HA ASP 52 -8.521 -5.995 1.075 428 1HB ASP 52 1HB ASP 52 -9.705 -4.669 3.091 429 2HB ASP 52 2HB ASP 52 -8.147 -4.203 2.425 430 H GLY 53 H GLY 53 -9.522 -7.815 1.625 431 1HA GLY 53 1HA GLY 53 -11.483 -8.722 2.867 432 2HA GLY 53 2HA GLY 53 -12.474 -7.781 1.763 433 H ARG 54 H ARG 54 -10.568 -8.490 -0.468 434 HA ARG 54 HA ARG 54 -11.845 -11.028 -1.127 435 1HB ARG 54 1HB ARG 54 -10.082 -9.407 -2.951 436 2HB ARG 54 2HB ARG 54 -11.330 -10.567 -3.387 437 1HG ARG 54 1HG ARG 54 -12.292 -8.290 -1.818 438 2HG ARG 54 2HG ARG 54 -11.636 -7.871 -3.402 439 1HD ARG 54 1HD ARG 54 -14.028 -8.294 -3.543 440 2HD ARG 54 2HD ARG 54 -13.122 -9.503 -4.451 441 HE ARG 54 HE ARG 54 -13.834 -11.119 -2.971 442 1HH1 ARG 54 1HH1 ARG 54 -15.651 -8.557 -0.488 443 2HH1 ARG 54 2HH1 ARG 54 -14.632 -7.956 -1.753 444 1HH2 ARG 54 1HH2 ARG 54 -15.173 -11.923 -1.309 445 2HH2 ARG 54 2HH2 ARG 54 -15.958 -10.813 -0.235 446 H THR 55 H THR 55 -10.561 -12.708 -2.239 447 HA THR 55 HA THR 55 -8.030 -13.101 -0.829 448 HB THR 55 HB THR 55 -8.240 -15.452 -1.549 449 HG1 THR 55 HG1 THR 55 -10.007 -16.111 -2.710 450 1HG2 THR 55 1HG2 THR 55 -10.121 -16.107 -0.238 451 2HG2 THR 55 2HG2 THR 55 -10.842 -14.504 -0.383 452 3HG2 THR 55 3HG2 THR 55 -9.356 -14.723 0.541 453 H LEU 56 H LEU 56 -6.157 -13.900 -1.945 454 HA LEU 56 HA LEU 56 -5.555 -12.454 -4.289 455 1HB LEU 56 1HB LEU 56 -4.108 -14.804 -3.063 456 2HB LEU 56 2HB LEU 56 -3.452 -13.746 -4.297 457 HG LEU 56 HG LEU 56 -3.997 -13.140 -1.409 458 1HD1 LEU 56 1HD1 LEU 56 -1.635 -12.086 -1.874 459 2HD1 LEU 56 2HD1 LEU 56 -1.643 -13.216 -3.227 460 3HD1 LEU 56 3HD1 LEU 56 -1.818 -13.814 -1.577 461 1HD2 LEU 56 1HD2 LEU 56 -3.239 -10.758 -2.184 462 2HD2 LEU 56 2HD2 LEU 56 -4.937 -11.226 -2.264 463 3HD2 LEU 56 3HD2 LEU 56 -3.945 -11.258 -3.721 464 H SER 57 H SER 57 -6.817 -15.643 -3.748 465 HA SER 57 HA SER 57 -6.190 -16.778 -6.258 466 1HB SER 57 1HB SER 57 -6.829 -18.383 -4.715 467 2HB SER 57 2HB SER 57 -8.150 -17.399 -4.082 468 HG SER 57 HG SER 57 -9.430 -18.052 -5.675 469 H ASP 58 H ASP 58 -8.726 -14.652 -5.170 470 HA ASP 58 HA ASP 58 -10.461 -15.025 -7.399 471 1HB ASP 58 1HB ASP 58 -10.299 -12.594 -5.612 472 2HB ASP 58 2HB ASP 58 -11.683 -13.140 -6.554 473 H TYR 59 H TYR 59 -7.521 -13.368 -6.968 474 HA TYR 59 HA TYR 59 -8.015 -11.644 -9.292 475 1HB TYR 59 1HB TYR 59 -6.008 -11.555 -7.055 476 2HB TYR 59 2HB TYR 59 -5.727 -10.673 -8.554 477 HD1 TYR 59 HD1 TYR 59 -7.039 -10.428 -5.326 478 HD2 TYR 59 HD2 TYR 59 -7.816 -9.196 -9.333 479 HE1 TYR 59 HE1 TYR 59 -8.417 -8.568 -4.481 480 HE2 TYR 59 HE2 TYR 59 -9.195 -7.332 -8.500 481 HH TYR 59 HH TYR 59 -9.970 -6.269 -6.710 482 H ASN 60 H ASN 60 -7.553 -14.538 -9.450 483 HA ASN 60 HA ASN 60 -6.207 -16.089 -10.475 484 1HB ASN 60 1HB ASN 60 -5.390 -15.231 -12.747 485 2HB ASN 60 2HB ASN 60 -7.122 -15.153 -12.440 486 1HD2 ASN 60 1HD2 ASN 60 -8.103 -13.165 -12.138 487 2HD2 ASN 60 2HD2 ASN 60 -7.326 -11.679 -12.551 488 H LEU 61 H LEU 61 -4.854 -14.561 -8.432 489 HA LEU 61 HA LEU 61 -2.319 -13.665 -9.215 490 1HB LEU 61 1HB LEU 61 -3.520 -14.627 -6.664 491 2HB LEU 61 2HB LEU 61 -1.775 -14.477 -6.750 492 HG LEU 61 HG LEU 61 -3.228 -12.495 -5.859 493 1HD1 LEU 61 1HD1 LEU 61 -1.526 -10.995 -7.350 494 2HD1 LEU 61 2HD1 LEU 61 -0.767 -12.583 -7.449 495 3HD1 LEU 61 3HD1 LEU 61 -1.081 -11.852 -5.875 496 1HD2 LEU 61 1HD2 LEU 61 -4.123 -11.020 -7.411 497 2HD2 LEU 61 2HD2 LEU 61 -4.599 -12.597 -8.041 498 3HD2 LEU 61 3HD2 LEU 61 -3.233 -11.738 -8.755 499 H GLN 62 H GLN 62 -0.502 -14.671 -9.791 500 HA GLN 62 HA GLN 62 -0.478 -17.607 -9.723 501 1HB GLN 62 1HB GLN 62 1.344 -15.794 -11.307 502 2HB GLN 62 2HB GLN 62 1.120 -17.526 -11.511 503 1HG GLN 62 1HG GLN 62 -0.705 -17.269 -12.776 504 2HG GLN 62 2HG GLN 62 -1.335 -15.959 -11.779 505 1HE2 GLN 62 1HE2 GLN 62 -0.897 -13.862 -12.320 506 2HE2 GLN 62 2HE2 GLN 62 -0.126 -13.402 -13.797 507 H LYS 63 H LYS 63 2.145 -18.197 -9.911 508 HA LYS 63 HA LYS 63 3.100 -17.519 -7.249 509 1HB LYS 63 1HB LYS 63 3.082 -19.866 -8.567 510 2HB LYS 63 2HB LYS 63 4.691 -19.305 -8.998 511 1HG LYS 63 1HG LYS 63 4.784 -18.847 -6.373 512 2HG LYS 63 2HG LYS 63 3.616 -20.170 -6.386 513 1HD LYS 63 1HD LYS 63 5.854 -20.714 -8.134 514 2HD LYS 63 2HD LYS 63 6.386 -20.391 -6.483 515 1HE LYS 63 1HE LYS 63 5.917 -22.789 -6.931 516 2HE LYS 63 2HE LYS 63 4.953 -22.109 -5.621 517 1HZ LYS 63 1HZ LYS 63 4.100 -23.241 -8.103 518 2HZ LYS 63 2HZ LYS 63 3.433 -21.708 -7.849 519 3HZ LYS 63 3HZ LYS 63 3.208 -22.928 -6.701 520 H GLU 64 H GLU 64 4.729 -16.175 -6.822 521 HA GLU 64 HA GLU 64 6.508 -14.779 -7.087 522 1HB GLU 64 1HB GLU 64 6.895 -16.226 -9.712 523 2HB GLU 64 2HB GLU 64 8.058 -15.140 -8.963 524 1HG GLU 64 1HG GLU 64 8.904 -16.805 -7.787 525 2HG GLU 64 2HG GLU 64 7.326 -17.143 -7.076 526 H SER 65 H SER 65 3.794 -14.183 -8.076 527 HA SER 65 HA SER 65 3.912 -12.719 -10.484 528 1HB SER 65 1HB SER 65 2.025 -12.051 -8.235 529 2HB SER 65 2HB SER 65 1.742 -11.968 -9.973 530 HG SER 65 HG SER 65 1.773 -14.203 -8.275 531 H THR 66 H THR 66 3.758 -10.387 -10.740 532 HA THR 66 HA THR 66 5.371 -8.971 -8.723 533 HB THR 66 HB THR 66 5.076 -8.240 -11.639 534 HG1 THR 66 HG1 THR 66 7.318 -9.129 -11.639 535 1HG2 THR 66 1HG2 THR 66 6.740 -7.219 -9.402 536 2HG2 THR 66 2HG2 THR 66 5.940 -6.348 -10.711 537 3HG2 THR 66 3HG2 THR 66 7.423 -7.249 -11.029 538 H ILE 67 H ILE 67 3.940 -7.953 -7.437 539 HA ILE 67 HA ILE 67 1.681 -6.535 -8.644 540 HB ILE 67 HB ILE 67 2.329 -7.236 -5.784 541 1HG1 ILE 67 1HG1 ILE 67 -0.274 -7.920 -6.989 542 2HG1 ILE 67 2HG1 ILE 67 1.112 -8.716 -7.728 543 1HG2 ILE 67 1HG2 ILE 67 0.194 -6.170 -5.174 544 2HG2 ILE 67 2HG2 ILE 67 0.054 -5.550 -6.820 545 3HG2 ILE 67 3HG2 ILE 67 1.376 -5.012 -5.784 546 1HD1 ILE 67 1HD1 ILE 67 1.016 -8.757 -4.786 547 2HD1 ILE 67 2HD1 ILE 67 1.496 -10.011 -5.930 548 3HD1 ILE 67 3HD1 ILE 67 -0.214 -9.700 -5.628 549 H HIS 68 H HIS 68 1.524 -4.367 -8.718 550 HA HIS 68 HA HIS 68 3.862 -2.820 -7.933 551 1HB HIS 68 1HB HIS 68 1.425 -2.181 -9.594 552 2HB HIS 68 2HB HIS 68 2.611 -0.960 -9.144 553 HD1 HIS 68 HD1 HIS 68 3.809 -0.494 -11.271 554 HD2 HIS 68 HD2 HIS 68 3.375 -4.568 -10.578 555 HE1 HIS 68 HE1 HIS 68 5.118 -1.629 -13.093 556 HE2 HIS 68 HE2 HIS 68 4.923 -4.091 -12.594 557 H LEU 69 H LEU 69 3.945 -1.956 -5.974 558 HA LEU 69 HA LEU 69 1.434 -1.253 -4.620 559 1HB LEU 69 1HB LEU 69 3.003 -2.842 -3.504 560 2HB LEU 69 2HB LEU 69 4.192 -1.556 -3.432 561 HG LEU 69 HG LEU 69 1.500 -1.106 -2.213 562 1HD1 LEU 69 1HD1 LEU 69 3.300 -2.036 -0.221 563 2HD1 LEU 69 2HD1 LEU 69 3.181 -3.263 -1.480 564 3HD1 LEU 69 3HD1 LEU 69 1.724 -2.684 -0.674 565 1HD2 LEU 69 1HD2 LEU 69 4.241 0.000 -2.013 566 2HD2 LEU 69 2HD2 LEU 69 3.257 -0.004 -0.549 567 3HD2 LEU 69 3HD2 LEU 69 2.681 0.821 -1.997 568 H VAL 70 H VAL 70 0.888 0.808 -4.416 569 HA VAL 70 HA VAL 70 2.984 2.855 -4.751 570 HB VAL 70 HB VAL 70 1.168 4.376 -5.502 571 1HG1 VAL 70 1HG1 VAL 70 1.992 1.935 -6.960 572 2HG1 VAL 70 2HG1 VAL 70 2.261 3.634 -7.348 573 3HG1 VAL 70 3HG1 VAL 70 0.691 2.893 -7.666 574 1HG2 VAL 70 1HG2 VAL 70 -0.928 3.802 -5.027 575 2HG2 VAL 70 2HG2 VAL 70 -0.465 2.135 -4.684 576 3HG2 VAL 70 3HG2 VAL 70 -0.820 2.628 -6.339 577 H LEU 71 H LEU 71 3.233 4.379 -3.214 578 HA LEU 71 HA LEU 71 1.735 4.055 -0.750 579 1HB LEU 71 1HB LEU 71 4.344 4.590 -1.232 580 2HB LEU 71 2HB LEU 71 3.737 6.215 -0.975 581 HG LEU 71 HG LEU 71 4.524 5.477 1.126 582 1HD1 LEU 71 1HD1 LEU 71 2.217 6.526 1.028 583 2HD1 LEU 71 2HD1 LEU 71 2.620 5.639 2.497 584 3HD1 LEU 71 3HD1 LEU 71 1.579 4.900 1.279 585 1HD2 LEU 71 1HD2 LEU 71 3.945 2.927 0.166 586 2HD2 LEU 71 2HD2 LEU 71 2.898 3.138 1.570 587 3HD2 LEU 71 3HD2 LEU 71 4.641 3.343 1.733 588 H ARG 72 H ARG 72 -0.176 4.854 -2.187 589 HA ARG 72 HA ARG 72 -1.557 6.553 -2.938 590 1HB ARG 72 1HB ARG 72 -2.508 7.712 -1.095 591 2HB ARG 72 2HB ARG 72 -1.981 6.150 -0.482 592 1HG ARG 72 1HG ARG 72 -0.809 7.173 1.087 593 2HG ARG 72 2HG ARG 72 0.172 7.951 -0.157 594 1HD ARG 72 1HD ARG 72 -2.265 9.347 -0.086 595 2HD ARG 72 2HD ARG 72 -1.792 9.097 1.595 596 HE ARG 72 HE ARG 72 -0.542 10.831 -0.305 597 1HH1 ARG 72 1HH1 ARG 72 1.382 9.789 3.048 598 2HH1 ARG 72 2HH1 ARG 72 0.008 8.874 2.523 599 1HH2 ARG 72 1HH2 ARG 72 1.265 12.044 0.379 600 2HH2 ARG 72 2HH2 ARG 72 2.096 11.592 1.830 601 H LEU 73 H LEU 73 0.407 7.279 -4.316 602 HA LEU 73 HA LEU 73 0.853 10.126 -3.730 603 1HB LEU 73 1HB LEU 73 2.834 8.156 -3.685 604 2HB LEU 73 2HB LEU 73 3.035 8.955 -5.232 605 HG LEU 73 HG LEU 73 4.436 10.189 -3.873 606 1HD1 LEU 73 1HD1 LEU 73 2.097 11.417 -4.723 607 2HD1 LEU 73 2HD1 LEU 73 3.602 12.212 -4.260 608 3HD1 LEU 73 3HD1 LEU 73 2.321 11.984 -3.069 609 1HD2 LEU 73 1HD2 LEU 73 4.010 10.778 -1.575 610 2HD2 LEU 73 2HD2 LEU 73 3.777 9.043 -1.789 611 3HD2 LEU 73 3HD2 LEU 73 2.380 10.111 -1.672 612 H ARG 74 H ARG 74 -0.503 10.993 -5.206 613 HA ARG 74 HA ARG 74 0.105 10.468 -8.022 614 1HB ARG 74 1HB ARG 74 -2.186 9.475 -6.797 615 2HB ARG 74 2HB ARG 74 -2.737 10.934 -7.610 616 1HG ARG 74 1HG ARG 74 -1.805 10.109 -9.717 617 2HG ARG 74 2HG ARG 74 -1.269 8.641 -8.896 618 1HD ARG 74 1HD ARG 74 -4.144 9.499 -8.857 619 2HD ARG 74 2HD ARG 74 -3.483 8.566 -10.199 620 HE ARG 74 HE ARG 74 -4.055 7.622 -7.536 621 1HH1 ARG 74 1HH1 ARG 74 -2.048 5.383 -10.180 622 2HH1 ARG 74 2HH1 ARG 74 -2.251 7.080 -10.465 623 1HH2 ARG 74 1HH2 ARG 74 -3.794 5.389 -7.150 624 2HH2 ARG 74 2HH2 ARG 74 -2.924 4.422 -8.295 625 H GLY 75 H GLY 75 -0.169 12.220 -9.391 626 1HA GLY 75 1HA GLY 75 -0.733 14.407 -9.995 627 2HA GLY 75 2HA GLY 75 -1.341 14.675 -8.368 628 H GLY 76 H GLY 76 1.484 14.684 -10.425 629 1HA GLY 76 1HA GLY 76 2.812 16.806 -9.563 630 2HA GLY 76 2HA GLY 76 3.172 15.682 -8.261 Start of MODEL 11 1 1H MET 1 1H MET 1 2.942 -19.927 -1.660 2 2H MET 1 2H MET 1 4.594 -20.220 -2.022 3 3H MET 1 3H MET 1 3.368 -21.138 -2.796 4 HA MET 1 HA MET 1 4.004 -19.639 -4.373 5 1HB MET 1 1HB MET 1 1.679 -19.652 -4.399 6 2HB MET 1 2HB MET 1 1.553 -18.869 -2.830 7 1HG MET 1 1HG MET 1 1.516 -16.833 -3.727 8 2HG MET 1 2HG MET 1 2.837 -17.201 -4.834 9 1HE MET 1 1HE MET 1 -0.991 -18.460 -4.386 10 2HE MET 1 2HE MET 1 -1.647 -17.422 -5.652 11 3HE MET 1 3HE MET 1 -0.825 -16.709 -4.265 12 H GLN 2 H GLN 2 5.875 -18.510 -4.239 13 HA GLN 2 HA GLN 2 6.187 -16.341 -2.350 14 1HB GLN 2 1HB GLN 2 7.980 -18.044 -3.301 15 2HB GLN 2 2HB GLN 2 8.134 -16.826 -4.559 16 1HG GLN 2 1HG GLN 2 8.988 -15.250 -3.122 17 2HG GLN 2 2HG GLN 2 8.262 -15.998 -1.700 18 1HE2 GLN 2 1HE2 GLN 2 9.676 -16.884 -0.397 19 2HE2 GLN 2 2HE2 GLN 2 11.170 -17.623 -0.853 20 H LEU 3 H LEU 3 5.650 -14.301 -2.727 21 HA LEU 3 HA LEU 3 5.187 -13.465 -5.509 22 1HB LEU 3 1HB LEU 3 4.075 -12.292 -2.958 23 2HB LEU 3 2HB LEU 3 3.707 -11.741 -4.582 24 HG LEU 3 HG LEU 3 3.113 -14.561 -3.737 25 1HD1 LEU 3 1HD1 LEU 3 1.450 -12.098 -3.277 26 2HD1 LEU 3 2HD1 LEU 3 1.972 -13.297 -2.093 27 3HD1 LEU 3 3HD1 LEU 3 0.776 -13.727 -3.315 28 1HD2 LEU 3 1HD2 LEU 3 2.789 -12.997 -6.110 29 2HD2 LEU 3 2HD2 LEU 3 1.207 -13.481 -5.501 30 3HD2 LEU 3 3HD2 LEU 3 2.431 -14.703 -5.843 31 H PHE 4 H PHE 4 5.750 -11.272 -6.095 32 HA PHE 4 HA PHE 4 7.965 -10.186 -4.481 33 1HB PHE 4 1HB PHE 4 7.753 -10.218 -7.500 34 2HB PHE 4 2HB PHE 4 9.068 -9.511 -6.566 35 HD1 PHE 4 HD1 PHE 4 10.996 -10.740 -6.552 36 HD2 PHE 4 HD2 PHE 4 7.254 -12.781 -6.659 37 HE1 PHE 4 HE1 PHE 4 12.181 -12.901 -6.579 38 HE2 PHE 4 HE2 PHE 4 8.431 -14.947 -6.686 39 HZ PHE 4 HZ PHE 4 10.897 -15.008 -6.645 40 H VAL 5 H VAL 5 7.012 -8.488 -3.498 41 HA VAL 5 HA VAL 5 5.233 -6.735 -4.991 42 HB VAL 5 HB VAL 5 6.092 -6.723 -2.097 43 1HG1 VAL 5 1HG1 VAL 5 4.520 -4.762 -3.695 44 2HG1 VAL 5 2HG1 VAL 5 5.683 -4.487 -2.398 45 3HG1 VAL 5 3HG1 VAL 5 4.059 -5.063 -2.020 46 1HG2 VAL 5 1HG2 VAL 5 4.529 -8.326 -2.000 47 2HG2 VAL 5 2HG2 VAL 5 3.890 -7.929 -3.595 48 3HG2 VAL 5 3HG2 VAL 5 3.373 -7.007 -2.184 49 H LYS 6 H LYS 6 5.838 -4.887 -5.908 50 HA LYS 6 HA LYS 6 8.478 -3.784 -5.202 51 1HB LYS 6 1HB LYS 6 8.590 -2.905 -7.494 52 2HB LYS 6 2HB LYS 6 8.431 -4.656 -7.478 53 1HG LYS 6 1HG LYS 6 6.242 -4.590 -8.250 54 2HG LYS 6 2HG LYS 6 6.021 -2.907 -7.768 55 1HD LYS 6 1HD LYS 6 7.960 -3.752 -9.909 56 2HD LYS 6 2HD LYS 6 6.280 -3.334 -10.251 57 1HE LYS 6 1HE LYS 6 8.196 -1.507 -8.816 58 2HE LYS 6 2HE LYS 6 7.937 -1.469 -10.559 59 1HZ LYS 6 1HZ LYS 6 6.323 -0.392 -8.461 60 2HZ LYS 6 2HZ LYS 6 5.423 -1.374 -9.503 61 3HZ LYS 6 3HZ LYS 6 6.293 -0.061 -10.120 62 H THR 7 H THR 7 8.533 -1.791 -4.394 63 HA THR 7 HA THR 7 6.054 -0.277 -4.232 64 HB THR 7 HB THR 7 7.260 1.132 -2.629 65 HG1 THR 7 HG1 THR 7 9.360 1.036 -2.397 66 1HG2 THR 7 1HG2 THR 7 8.037 -0.722 -1.017 67 2HG2 THR 7 2HG2 THR 7 7.393 -1.823 -2.236 68 3HG2 THR 7 3HG2 THR 7 6.336 -0.635 -1.472 69 H LEU 8 H LEU 8 6.711 2.285 -4.161 70 HA LEU 8 HA LEU 8 7.352 2.867 -6.918 71 1HB LEU 8 1HB LEU 8 5.824 4.088 -4.857 72 2HB LEU 8 2HB LEU 8 7.045 5.239 -5.366 73 HG LEU 8 HG LEU 8 4.918 5.508 -6.584 74 1HD1 LEU 8 1HD1 LEU 8 5.945 6.072 -8.520 75 2HD1 LEU 8 2HD1 LEU 8 6.753 4.512 -8.676 76 3HD1 LEU 8 3HD1 LEU 8 7.389 5.729 -7.569 77 1HD2 LEU 8 1HD2 LEU 8 4.029 3.870 -8.004 78 2HD2 LEU 8 2HD2 LEU 8 4.424 3.009 -6.516 79 3HD2 LEU 8 3HD2 LEU 8 5.486 2.881 -7.917 80 H THR 9 H THR 9 9.181 2.421 -4.211 81 HA THR 9 HA THR 9 11.099 4.544 -4.752 82 HB THR 9 HB THR 9 12.150 3.958 -2.734 83 HG1 THR 9 HG1 THR 9 11.415 1.891 -1.696 84 1HG2 THR 9 1HG2 THR 9 9.958 4.892 -2.272 85 2HG2 THR 9 2HG2 THR 9 10.410 3.701 -1.052 86 3HG2 THR 9 3HG2 THR 9 9.251 3.278 -2.313 87 H GLY 10 H GLY 10 10.484 2.090 -6.505 88 1HA GLY 10 1HA GLY 10 11.702 0.841 -8.000 89 2HA GLY 10 2HA GLY 10 13.117 1.751 -7.495 90 H LYS 11 H LYS 11 11.410 0.153 -4.994 91 HA LYS 11 HA LYS 11 13.521 -1.896 -4.896 92 1HB LYS 11 1HB LYS 11 12.852 -0.065 -2.979 93 2HB LYS 11 2HB LYS 11 11.912 -1.462 -2.471 94 1HG LYS 11 1HG LYS 11 14.257 -2.665 -2.911 95 2HG LYS 11 2HG LYS 11 14.835 -1.048 -2.503 96 1HD LYS 11 1HD LYS 11 14.656 -1.689 -0.370 97 2HD LYS 11 2HD LYS 11 12.913 -1.519 -0.591 98 1HE LYS 11 1HE LYS 11 14.576 -4.017 -0.805 99 2HE LYS 11 2HE LYS 11 13.281 -3.669 0.340 100 1HZ LYS 11 1HZ LYS 11 12.844 -3.849 -2.586 101 2HZ LYS 11 2HZ LYS 11 11.674 -3.824 -1.366 102 3HZ LYS 11 3HZ LYS 11 12.677 -5.174 -1.546 103 H THR 12 H THR 12 13.006 -4.037 -4.599 104 HA THR 12 HA THR 12 10.142 -4.720 -4.613 105 HB THR 12 HB THR 12 12.232 -6.268 -6.138 106 HG1 THR 12 HG1 THR 12 11.005 -3.908 -6.785 107 1HG2 THR 12 1HG2 THR 12 9.806 -6.498 -7.414 108 2HG2 THR 12 2HG2 THR 12 9.387 -6.571 -5.703 109 3HG2 THR 12 3HG2 THR 12 10.561 -7.704 -6.372 110 H LEU 13 H LEU 13 9.685 -5.756 -2.795 111 HA LEU 13 HA LEU 13 11.749 -7.403 -1.521 112 1HB LEU 13 1HB LEU 13 10.729 -7.026 0.499 113 2HB LEU 13 2HB LEU 13 10.357 -5.534 -0.343 114 HG LEU 13 HG LEU 13 8.237 -7.308 -0.909 115 1HD1 LEU 13 1HD1 LEU 13 9.434 -8.134 1.456 116 2HD1 LEU 13 2HD1 LEU 13 7.805 -8.519 0.904 117 3HD1 LEU 13 3HD1 LEU 13 8.071 -7.141 1.971 118 1HD2 LEU 13 1HD2 LEU 13 7.057 -5.478 -0.427 119 2HD2 LEU 13 2HD2 LEU 13 8.614 -4.685 -0.185 120 3HD2 LEU 13 3HD2 LEU 13 7.742 -5.357 1.194 121 H THR 14 H THR 14 11.259 -9.519 -0.761 122 HA THR 14 HA THR 14 9.248 -10.867 -2.415 123 HB THR 14 HB THR 14 11.660 -11.920 -0.931 124 HG1 THR 14 HG1 THR 14 12.600 -11.663 -2.771 125 1HG2 THR 14 1HG2 THR 14 9.373 -13.357 -2.088 126 2HG2 THR 14 2HG2 THR 14 10.525 -13.851 -0.846 127 3HG2 THR 14 3HG2 THR 14 10.970 -13.946 -2.550 128 H VAL 15 H VAL 15 7.667 -12.165 -1.555 129 HA VAL 15 HA VAL 15 7.529 -12.494 1.343 130 HB VAL 15 HB VAL 15 5.002 -11.858 1.100 131 1HG1 VAL 15 1HG1 VAL 15 5.839 -10.424 2.586 132 2HG1 VAL 15 2HG1 VAL 15 6.048 -9.305 1.241 133 3HG1 VAL 15 3HG1 VAL 15 7.387 -10.336 1.746 134 1HG2 VAL 15 1HG2 VAL 15 4.621 -10.022 -0.478 135 2HG2 VAL 15 2HG2 VAL 15 5.040 -11.517 -1.313 136 3HG2 VAL 15 3HG2 VAL 15 6.247 -10.244 -1.126 137 H GLU 16 H GLU 16 5.540 -13.862 1.918 138 HA GLU 16 HA GLU 16 5.037 -15.848 -0.196 139 1HB GLU 16 1HB GLU 16 4.979 -17.033 2.438 140 2HB GLU 16 2HB GLU 16 5.904 -17.512 1.022 141 1HG GLU 16 1HG GLU 16 6.769 -15.242 2.776 142 2HG GLU 16 2HG GLU 16 7.187 -16.915 3.138 143 H LEU 17 H LEU 17 2.951 -16.127 -0.592 144 HA LEU 17 HA LEU 17 1.014 -16.044 1.571 145 1HB LEU 17 1HB LEU 17 1.438 -13.794 -0.077 146 2HB LEU 17 2HB LEU 17 -0.063 -14.522 -0.613 147 HG LEU 17 HG LEU 17 -0.719 -14.500 1.890 148 1HD1 LEU 17 1HD1 LEU 17 0.588 -12.165 2.611 149 2HD1 LEU 17 2HD1 LEU 17 1.860 -13.194 1.950 150 3HD1 LEU 17 3HD1 LEU 17 0.857 -13.775 3.280 151 1HD2 LEU 17 1HD2 LEU 17 -0.599 -12.191 0.007 152 2HD2 LEU 17 2HD2 LEU 17 -1.233 -11.954 1.636 153 3HD2 LEU 17 3HD2 LEU 17 -1.991 -13.126 0.556 154 H GLU 18 H GLU 18 -0.836 -17.217 1.158 155 HA GLU 18 HA GLU 18 -0.733 -18.880 -1.247 156 1HB GLU 18 1HB GLU 18 -1.939 -19.203 1.471 157 2HB GLU 18 2HB GLU 18 -2.567 -20.141 0.129 158 1HG GLU 18 1HG GLU 18 -0.959 -21.609 0.443 159 2HG GLU 18 2HG GLU 18 0.226 -20.370 0.041 160 HA PRO 19 HA PRO 19 -4.164 -17.171 -3.376 161 1HB PRO 19 1HB PRO 19 -5.375 -19.897 -3.247 162 2HB PRO 19 2HB PRO 19 -5.125 -18.841 -4.643 163 1HG PRO 19 1HG PRO 19 -3.531 -20.933 -4.216 164 2HG PRO 19 2HG PRO 19 -2.880 -19.401 -4.827 165 1HD PRO 19 1HD PRO 19 -2.693 -20.589 -2.100 166 2HD PRO 19 2HD PRO 19 -1.523 -19.588 -2.979 167 H SER 20 H SER 20 -4.751 -19.160 -0.549 168 HA SER 20 HA SER 20 -7.475 -18.399 -0.191 169 1HB SER 20 1HB SER 20 -7.312 -19.492 1.962 170 2HB SER 20 2HB SER 20 -6.460 -20.471 0.769 171 HG SER 20 HG SER 20 -5.302 -18.677 2.640 172 H ASP 21 H ASP 21 -4.389 -17.145 0.908 173 HA ASP 21 HA ASP 21 -5.140 -15.482 2.967 174 1HB ASP 21 1HB ASP 21 -3.003 -15.335 0.883 175 2HB ASP 21 2HB ASP 21 -3.267 -13.936 1.920 176 H THR 22 H THR 22 -5.500 -13.158 3.024 177 HA THR 22 HA THR 22 -7.011 -12.207 0.679 178 HB THR 22 HB THR 22 -8.489 -11.005 2.201 179 HG1 THR 22 HG1 THR 22 -6.550 -11.646 4.006 180 1HG2 THR 22 1HG2 THR 22 -9.707 -12.851 2.163 181 2HG2 THR 22 2HG2 THR 22 -8.975 -13.273 3.711 182 3HG2 THR 22 3HG2 THR 22 -8.277 -13.880 2.211 183 H VAL 23 H VAL 23 -7.012 -9.911 0.311 184 HA VAL 23 HA VAL 23 -4.597 -8.689 0.180 185 HB VAL 23 HB VAL 23 -7.172 -7.198 0.708 186 1HG1 VAL 23 1HG1 VAL 23 -4.910 -6.254 -1.009 187 2HG1 VAL 23 2HG1 VAL 23 -4.869 -6.017 0.738 188 3HG1 VAL 23 3HG1 VAL 23 -6.177 -5.318 -0.216 189 1HG2 VAL 23 1HG2 VAL 23 -7.933 -8.053 -1.196 190 2HG2 VAL 23 2HG2 VAL 23 -6.408 -8.892 -1.486 191 3HG2 VAL 23 3HG2 VAL 23 -6.617 -7.229 -2.035 192 H GLU 24 H GLU 24 -6.763 -8.745 2.944 193 HA GLU 24 HA GLU 24 -5.538 -6.775 4.509 194 1HB GLU 24 1HB GLU 24 -7.692 -8.422 4.815 195 2HB GLU 24 2HB GLU 24 -6.564 -9.117 5.970 196 1HG GLU 24 1HG GLU 24 -6.530 -6.291 6.268 197 2HG GLU 24 2HG GLU 24 -8.206 -6.838 6.262 198 H ASN 25 H ASN 25 -5.098 -10.314 4.683 199 HA ASN 25 HA ASN 25 -3.065 -10.393 6.539 200 1HB ASN 25 1HB ASN 25 -3.154 -12.203 4.124 201 2HB ASN 25 2HB ASN 25 -2.544 -12.576 5.734 202 1HD2 ASN 25 1HD2 ASN 25 -4.766 -11.256 7.069 203 2HD2 ASN 25 2HD2 ASN 25 -6.126 -12.308 6.894 204 H LEU 26 H LEU 26 -2.750 -10.129 3.003 205 HA LEU 26 HA LEU 26 -0.012 -10.110 2.761 206 1HB LEU 26 1HB LEU 26 -1.656 -10.017 0.889 207 2HB LEU 26 2HB LEU 26 -1.909 -8.318 1.242 208 HG LEU 26 HG LEU 26 0.173 -7.694 0.430 209 1HD1 LEU 26 1HD1 LEU 26 1.769 -8.941 1.482 210 2HD1 LEU 26 2HD1 LEU 26 1.859 -9.640 -0.135 211 3HD1 LEU 26 3HD1 LEU 26 0.963 -10.471 1.138 212 1HD2 LEU 26 1HD2 LEU 26 -1.379 -8.648 -1.317 213 2HD2 LEU 26 2HD2 LEU 26 -0.394 -10.110 -1.272 214 3HD2 LEU 26 3HD2 LEU 26 0.326 -8.576 -1.762 215 H LYS 27 H LYS 27 -2.139 -7.359 3.477 216 HA LYS 27 HA LYS 27 -0.191 -5.366 3.582 217 1HB LYS 27 1HB LYS 27 -2.510 -5.348 5.481 218 2HB LYS 27 2HB LYS 27 -1.801 -4.013 4.583 219 1HG LYS 27 1HG LYS 27 -2.708 -5.640 2.580 220 2HG LYS 27 2HG LYS 27 -3.931 -5.858 3.834 221 1HD LYS 27 1HD LYS 27 -4.789 -3.839 3.453 222 2HD LYS 27 2HD LYS 27 -3.200 -3.078 3.566 223 1HE LYS 27 1HE LYS 27 -2.918 -3.038 1.329 224 2HE LYS 27 2HE LYS 27 -3.691 -4.606 1.100 225 1HZ LYS 27 1HZ LYS 27 -4.811 -1.973 0.901 226 2HZ LYS 27 2HZ LYS 27 -5.737 -3.002 1.874 227 3HZ LYS 27 3HZ LYS 27 -5.383 -3.439 0.279 228 H ALA 28 H ALA 28 -1.374 -7.554 6.104 229 HA ALA 28 HA ALA 28 -0.022 -6.526 8.294 230 1HB ALA 28 1HB ALA 28 -0.016 -9.429 8.285 231 2HB ALA 28 2HB ALA 28 -1.570 -8.763 7.783 232 3HB ALA 28 3HB ALA 28 -0.875 -8.304 9.337 233 H LYS 29 H LYS 29 1.110 -8.755 5.793 234 HA LYS 29 HA LYS 29 3.626 -9.310 6.944 235 1HB LYS 29 1HB LYS 29 2.984 -9.282 3.993 236 2HB LYS 29 2HB LYS 29 4.238 -10.209 4.803 237 1HG LYS 29 1HG LYS 29 1.371 -10.625 5.525 238 2HG LYS 29 2HG LYS 29 2.045 -11.375 4.077 239 1HD LYS 29 1HD LYS 29 3.931 -11.897 6.035 240 2HD LYS 29 2HD LYS 29 2.386 -12.091 6.869 241 1HE LYS 29 1HE LYS 29 1.724 -13.837 5.524 242 2HE LYS 29 2HE LYS 29 2.752 -13.332 4.183 243 1HZ LYS 29 1HZ LYS 29 4.178 -14.093 6.578 244 2HZ LYS 29 2HZ LYS 29 4.477 -14.499 4.964 245 3HZ LYS 29 3HZ LYS 29 3.316 -15.354 5.849 246 H ILE 30 H ILE 30 2.522 -6.832 4.679 247 HA ILE 30 HA ILE 30 5.090 -5.713 4.196 248 HB ILE 30 HB ILE 30 2.368 -4.433 3.907 249 1HG1 ILE 30 1HG1 ILE 30 4.115 -5.749 1.816 250 2HG1 ILE 30 2HG1 ILE 30 2.724 -6.517 2.575 251 1HG2 ILE 30 1HG2 ILE 30 3.742 -2.611 3.810 252 2HG2 ILE 30 2HG2 ILE 30 3.808 -3.127 2.126 253 3HG2 ILE 30 3HG2 ILE 30 5.122 -3.543 3.226 254 1HD1 ILE 30 1HD1 ILE 30 1.976 -3.961 1.522 255 2HD1 ILE 30 2HD1 ILE 30 1.353 -5.563 1.131 256 3HD1 ILE 30 3HD1 ILE 30 2.761 -4.933 0.277 257 H GLN 31 H GLN 31 2.919 -5.533 6.820 258 HA GLN 31 HA GLN 31 3.953 -2.993 7.796 259 1HB GLN 31 1HB GLN 31 1.520 -3.739 8.008 260 2HB GLN 31 2HB GLN 31 2.078 -4.853 9.248 261 1HG GLN 31 1HG GLN 31 2.487 -3.199 10.753 262 2HG GLN 31 2HG GLN 31 2.841 -2.001 9.509 263 1HE2 GLN 31 1HE2 GLN 31 1.390 -0.948 11.299 264 2HE2 GLN 31 2HE2 GLN 31 -0.290 -0.884 10.904 265 H ASP 32 H ASP 32 4.408 -6.396 8.254 266 HA ASP 32 HA ASP 32 5.838 -6.086 10.750 267 1HB ASP 32 1HB ASP 32 4.528 -8.200 9.458 268 2HB ASP 32 2HB ASP 32 6.227 -8.646 9.515 269 H LYS 33 H LYS 33 6.552 -6.478 7.353 270 HA LYS 33 HA LYS 33 9.406 -6.762 7.889 271 1HB LYS 33 1HB LYS 33 7.713 -6.967 5.414 272 2HB LYS 33 2HB LYS 33 9.462 -6.821 5.301 273 1HG LYS 33 1HG LYS 33 9.402 -9.059 5.354 274 2HG LYS 33 2HG LYS 33 9.255 -8.826 7.096 275 1HD LYS 33 1HD LYS 33 6.770 -8.845 6.805 276 2HD LYS 33 2HD LYS 33 7.027 -9.288 5.117 277 1HE LYS 33 1HE LYS 33 8.595 -11.080 6.530 278 2HE LYS 33 2HE LYS 33 7.136 -10.929 7.508 279 1HZ LYS 33 1HZ LYS 33 6.413 -12.505 6.090 280 2HZ LYS 33 2HZ LYS 33 7.482 -12.069 4.855 281 3HZ LYS 33 3HZ LYS 33 6.064 -11.180 5.098 282 H GLU 34 H GLU 34 7.243 -4.591 6.073 283 HA GLU 34 HA GLU 34 9.383 -2.591 5.980 284 1HB GLU 34 1HB GLU 34 6.709 -2.654 4.570 285 2HB GLU 34 2HB GLU 34 7.948 -1.426 4.351 286 1HG GLU 34 1HG GLU 34 8.381 -4.344 3.777 287 2HG GLU 34 2HG GLU 34 7.846 -3.175 2.570 288 H GLY 35 H GLY 35 5.976 -2.932 6.935 289 1HA GLY 35 1HA GLY 35 5.070 -1.989 8.909 290 2HA GLY 35 2HA GLY 35 6.406 -0.848 8.947 291 H ILE 36 H ILE 36 4.383 -1.552 6.151 292 HA ILE 36 HA ILE 36 3.649 1.274 6.040 293 HB ILE 36 HB ILE 36 2.949 -0.755 3.943 294 1HG1 ILE 36 1HG1 ILE 36 5.608 0.583 4.429 295 2HG1 ILE 36 2HG1 ILE 36 5.279 -1.132 4.202 296 1HG2 ILE 36 1HG2 ILE 36 3.709 2.128 3.596 297 2HG2 ILE 36 2HG2 ILE 36 2.061 1.632 3.979 298 3HG2 ILE 36 3HG2 ILE 36 2.823 1.079 2.488 299 1HD1 ILE 36 1HD1 ILE 36 6.194 -0.542 2.183 300 2HD1 ILE 36 2HD1 ILE 36 5.429 1.047 2.179 301 3HD1 ILE 36 3HD1 ILE 36 4.469 -0.396 1.852 302 HA PRO 37 HA PRO 37 -0.355 0.474 7.800 303 1HB PRO 37 1HB PRO 37 -1.070 2.957 6.341 304 2HB PRO 37 2HB PRO 37 -1.232 2.574 8.058 305 1HG PRO 37 1HG PRO 37 0.662 4.246 7.200 306 2HG PRO 37 2HG PRO 37 0.977 3.104 8.520 307 1HD PRO 37 1HD PRO 37 1.800 2.958 5.647 308 2HD PRO 37 2HD PRO 37 2.706 2.501 7.105 309 HA PRO 38 HA PRO 38 -2.385 -1.667 4.481 310 1HB PRO 38 1HB PRO 38 -4.768 -1.245 6.215 311 2HB PRO 38 2HB PRO 38 -4.141 -2.738 5.509 312 1HG PRO 38 1HG PRO 38 -3.807 -2.216 8.099 313 2HG PRO 38 2HG PRO 38 -2.522 -2.989 7.153 314 1HD PRO 38 1HD PRO 38 -2.744 -0.165 8.098 315 2HD PRO 38 2HD PRO 38 -1.307 -1.198 7.955 316 H ASP 39 H ASP 39 -3.898 1.179 5.965 317 HA ASP 39 HA ASP 39 -5.707 1.731 3.881 318 1HB ASP 39 1HB ASP 39 -5.026 2.870 6.368 319 2HB ASP 39 2HB ASP 39 -4.826 4.150 5.175 320 H GLN 40 H GLN 40 -2.338 2.571 4.368 321 HA GLN 40 HA GLN 40 -2.331 4.288 2.011 322 1HB GLN 40 1HB GLN 40 -0.207 3.600 4.043 323 2HB GLN 40 2HB GLN 40 0.103 4.593 2.625 324 1HG GLN 40 1HG GLN 40 -2.184 5.626 3.955 325 2HG GLN 40 2HG GLN 40 -0.906 5.378 5.144 326 1HE2 GLN 40 1HE2 GLN 40 -1.510 7.866 4.900 327 2HE2 GLN 40 2HE2 GLN 40 -0.394 8.751 3.921 328 H GLN 41 H GLN 41 -2.447 1.136 2.298 329 HA GLN 41 HA GLN 41 -0.216 0.475 0.530 330 1HB GLN 41 1HB GLN 41 -1.969 -1.032 2.365 331 2HB GLN 41 2HB GLN 41 -1.531 -1.873 0.884 332 1HG GLN 41 1HG GLN 41 0.850 -1.443 1.395 333 2HG GLN 41 2HG GLN 41 0.355 -0.724 2.927 334 1HE2 GLN 41 1HE2 GLN 41 0.334 -2.014 4.615 335 2HE2 GLN 41 2HE2 GLN 41 0.234 -3.738 4.579 336 H ARG 42 H ARG 42 -0.833 1.341 -1.433 337 HA ARG 42 HA ARG 42 -3.397 0.510 -2.569 338 1HB ARG 42 1HB ARG 42 -2.322 2.916 -2.655 339 2HB ARG 42 2HB ARG 42 -1.449 2.248 -4.026 340 1HG ARG 42 1HG ARG 42 -3.307 2.116 -5.330 341 2HG ARG 42 2HG ARG 42 -4.390 1.880 -3.956 342 1HD ARG 42 1HD ARG 42 -4.610 4.114 -3.567 343 2HD ARG 42 2HD ARG 42 -2.995 4.488 -4.167 344 HE ARG 42 HE ARG 42 -4.870 3.627 -6.188 345 1HH1 ARG 42 1HH1 ARG 42 -3.920 7.482 -5.669 346 2HH1 ARG 42 2HH1 ARG 42 -3.512 6.322 -4.450 347 1HH2 ARG 42 1HH2 ARG 42 -5.412 5.147 -7.801 348 2HH2 ARG 42 2HH2 ARG 42 -5.001 6.814 -7.574 349 H LEU 43 H LEU 43 -3.082 -1.629 -3.102 350 HA LEU 43 HA LEU 43 -0.774 -2.379 -4.705 351 1HB LEU 43 1HB LEU 43 -3.090 -4.047 -3.720 352 2HB LEU 43 2HB LEU 43 -1.650 -4.662 -4.510 353 HG LEU 43 HG LEU 43 -1.675 -3.233 -1.850 354 1HD1 LEU 43 1HD1 LEU 43 -2.733 -5.607 -2.106 355 2HD1 LEU 43 2HD1 LEU 43 -1.630 -5.261 -0.773 356 3HD1 LEU 43 3HD1 LEU 43 -1.050 -6.128 -2.196 357 1HD2 LEU 43 1HD2 LEU 43 0.643 -4.160 -1.712 358 2HD2 LEU 43 2HD2 LEU 43 0.426 -2.910 -2.937 359 3HD2 LEU 43 3HD2 LEU 43 0.504 -4.606 -3.413 360 H ILE 44 H ILE 44 -0.773 -2.615 -6.845 361 HA ILE 44 HA ILE 44 -3.360 -2.695 -8.252 362 HB ILE 44 HB ILE 44 -0.954 -1.305 -9.398 363 1HG1 ILE 44 1HG1 ILE 44 -1.639 -0.290 -7.182 364 2HG1 ILE 44 2HG1 ILE 44 -1.715 0.798 -8.565 365 1HG2 ILE 44 1HG2 ILE 44 -2.656 -0.186 -10.773 366 2HG2 ILE 44 2HG2 ILE 44 -3.911 -1.124 -9.963 367 3HG2 ILE 44 3HG2 ILE 44 -2.703 -1.940 -10.955 368 1HD1 ILE 44 1HD1 ILE 44 -4.046 0.752 -8.618 369 2HD1 ILE 44 2HD1 ILE 44 -3.639 0.856 -6.905 370 3HD1 ILE 44 3HD1 ILE 44 -4.129 -0.688 -7.603 371 H PHE 45 H PHE 45 -3.313 -4.878 -8.674 372 HA PHE 45 HA PHE 45 -0.986 -5.937 -10.115 373 1HB PHE 45 1HB PHE 45 -1.702 -7.206 -8.138 374 2HB PHE 45 2HB PHE 45 -3.308 -7.396 -8.836 375 HD1 PHE 45 HD1 PHE 45 0.227 -7.941 -9.929 376 HD2 PHE 45 HD2 PHE 45 -3.749 -9.463 -9.705 377 HE1 PHE 45 HE1 PHE 45 0.962 -10.011 -11.049 378 HE2 PHE 45 HE2 PHE 45 -3.022 -11.537 -10.823 379 HZ PHE 45 HZ PHE 45 -0.664 -11.811 -11.496 380 H ALA 46 H ALA 46 -1.078 -6.310 -12.230 381 HA ALA 46 HA ALA 46 -1.862 -6.393 -14.368 382 1HB ALA 46 1HB ALA 46 -2.695 -8.490 -14.171 383 2HB ALA 46 2HB ALA 46 -4.225 -7.646 -14.418 384 3HB ALA 46 3HB ALA 46 -3.708 -8.078 -12.788 385 H GLY 47 H GLY 47 -2.481 -4.015 -12.850 386 1HA GLY 47 1HA GLY 47 -3.558 -2.042 -13.437 387 2HA GLY 47 2HA GLY 47 -4.521 -2.946 -14.594 388 H LYS 48 H LYS 48 -4.963 -4.786 -12.059 389 HA LYS 48 HA LYS 48 -7.421 -3.418 -11.292 390 1HB LYS 48 1HB LYS 48 -6.619 -6.151 -11.608 391 2HB LYS 48 2HB LYS 48 -7.186 -5.910 -9.960 392 1HG LYS 48 1HG LYS 48 -9.142 -4.648 -11.280 393 2HG LYS 48 2HG LYS 48 -8.666 -5.820 -12.510 394 1HD LYS 48 1HD LYS 48 -8.821 -7.089 -9.936 395 2HD LYS 48 2HD LYS 48 -10.329 -6.244 -10.289 396 1HE LYS 48 1HE LYS 48 -8.986 -8.425 -11.854 397 2HE LYS 48 2HE LYS 48 -10.615 -8.397 -11.179 398 1HZ LYS 48 1HZ LYS 48 -11.116 -7.919 -13.315 399 2HZ LYS 48 2HZ LYS 48 -9.608 -7.229 -13.652 400 3HZ LYS 48 3HZ LYS 48 -10.778 -6.337 -12.817 401 H GLN 49 H GLN 49 -7.577 -2.286 -9.483 402 HA GLN 49 HA GLN 49 -5.430 -2.253 -7.573 403 1HB GLN 49 1HB GLN 49 -6.757 -0.232 -8.289 404 2HB GLN 49 2HB GLN 49 -8.108 -0.874 -7.365 405 1HG GLN 49 1HG GLN 49 -5.970 -0.918 -5.596 406 2HG GLN 49 2HG GLN 49 -5.797 0.601 -6.474 407 1HE2 GLN 49 1HE2 GLN 49 -6.371 1.926 -4.808 408 2HE2 GLN 49 2HE2 GLN 49 -7.961 1.981 -4.136 409 H LEU 50 H LEU 50 -5.267 -3.979 -6.270 410 HA LEU 50 HA LEU 50 -7.144 -5.770 -5.462 411 1HB LEU 50 1HB LEU 50 -4.887 -4.679 -3.779 412 2HB LEU 50 2HB LEU 50 -5.760 -6.164 -3.452 413 HG LEU 50 HG LEU 50 -3.726 -5.590 -5.553 414 1HD1 LEU 50 1HD1 LEU 50 -3.759 -8.264 -4.645 415 2HD1 LEU 50 2HD1 LEU 50 -3.972 -7.225 -3.237 416 3HD1 LEU 50 3HD1 LEU 50 -2.578 -7.003 -4.293 417 1HD2 LEU 50 1HD2 LEU 50 -4.448 -7.606 -6.784 418 2HD2 LEU 50 2HD2 LEU 50 -5.616 -6.288 -6.878 419 3HD2 LEU 50 3HD2 LEU 50 -5.910 -7.653 -5.799 420 H GLU 51 H GLU 51 -8.993 -5.653 -4.388 421 HA GLU 51 HA GLU 51 -9.532 -3.291 -2.743 422 1HB GLU 51 1HB GLU 51 -11.233 -5.267 -4.198 423 2HB GLU 51 2HB GLU 51 -11.913 -4.446 -2.800 424 1HG GLU 51 1HG GLU 51 -11.585 -2.307 -3.811 425 2HG GLU 51 2HG GLU 51 -10.688 -3.025 -5.149 426 H ASP 52 H ASP 52 -9.267 -3.442 -0.624 427 HA ASP 52 HA ASP 52 -8.551 -5.623 0.834 428 1HB ASP 52 1HB ASP 52 -9.893 -4.272 2.731 429 2HB ASP 52 2HB ASP 52 -8.326 -3.759 2.119 430 H GLY 53 H GLY 53 -9.508 -7.522 1.103 431 1HA GLY 53 1HA GLY 53 -11.405 -8.570 2.342 432 2HA GLY 53 2HA GLY 53 -12.454 -7.573 1.345 433 H ARG 54 H ARG 54 -10.129 -8.321 -0.736 434 HA ARG 54 HA ARG 54 -11.627 -10.605 -1.783 435 1HB ARG 54 1HB ARG 54 -9.672 -8.677 -3.027 436 2HB ARG 54 2HB ARG 54 -10.198 -10.138 -3.854 437 1HG ARG 54 1HG ARG 54 -11.924 -7.839 -2.962 438 2HG ARG 54 2HG ARG 54 -11.511 -8.286 -4.618 439 1HD ARG 54 1HD ARG 54 -12.576 -10.605 -3.717 440 2HD ARG 54 2HD ARG 54 -13.507 -9.433 -2.786 441 HE ARG 54 HE ARG 54 -13.607 -8.481 -5.332 442 1HH1 ARG 54 1HH1 ARG 54 -15.620 -11.923 -4.976 443 2HH1 ARG 54 2HH1 ARG 54 -14.372 -11.532 -3.840 444 1HH2 ARG 54 1HH2 ARG 54 -15.248 -8.983 -6.834 445 2HH2 ARG 54 2HH2 ARG 54 -16.118 -10.473 -6.679 446 H THR 55 H THR 55 -10.621 -12.528 -2.436 447 HA THR 55 HA THR 55 -8.212 -13.160 -0.927 448 HB THR 55 HB THR 55 -8.757 -15.524 -1.756 449 HG1 THR 55 HG1 THR 55 -11.343 -14.594 -2.217 450 1HG2 THR 55 1HG2 THR 55 -10.837 -14.131 -0.088 451 2HG2 THR 55 2HG2 THR 55 -9.329 -14.828 0.504 452 3HG2 THR 55 3HG2 THR 55 -10.572 -15.873 -0.184 453 H LEU 56 H LEU 56 -6.288 -13.777 -1.805 454 HA LEU 56 HA LEU 56 -5.402 -12.749 -4.173 455 1HB LEU 56 1HB LEU 56 -4.438 -15.247 -2.782 456 2HB LEU 56 2HB LEU 56 -3.560 -14.424 -4.057 457 HG LEU 56 HG LEU 56 -3.981 -13.607 -1.221 458 1HD1 LEU 56 1HD1 LEU 56 -1.727 -13.936 -3.133 459 2HD1 LEU 56 2HD1 LEU 56 -1.878 -14.470 -1.458 460 3HD1 LEU 56 3HD1 LEU 56 -1.558 -12.773 -1.818 461 1HD2 LEU 56 1HD2 LEU 56 -4.902 -11.764 -2.597 462 2HD2 LEU 56 2HD2 LEU 56 -3.349 -11.655 -3.428 463 3HD2 LEU 56 3HD2 LEU 56 -3.451 -11.311 -1.702 464 H SER 57 H SER 57 -6.956 -15.860 -3.648 465 HA SER 57 HA SER 57 -6.463 -16.926 -6.224 466 1HB SER 57 1HB SER 57 -7.388 -18.740 -5.293 467 2HB SER 57 2HB SER 57 -7.736 -17.785 -3.852 468 HG SER 57 HG SER 57 -9.713 -17.158 -4.908 469 H ASP 58 H ASP 58 -8.529 -14.462 -5.134 470 HA ASP 58 HA ASP 58 -10.572 -14.768 -7.126 471 1HB ASP 58 1HB ASP 58 -9.865 -12.477 -5.286 472 2HB ASP 58 2HB ASP 58 -11.250 -12.467 -6.374 473 H TYR 59 H TYR 59 -7.438 -13.384 -7.019 474 HA TYR 59 HA TYR 59 -7.942 -11.917 -9.521 475 1HB TYR 59 1HB TYR 59 -5.722 -11.597 -7.492 476 2HB TYR 59 2HB TYR 59 -5.825 -10.709 -9.009 477 HD1 TYR 59 HD1 TYR 59 -6.377 -10.431 -5.620 478 HD2 TYR 59 HD2 TYR 59 -8.308 -9.599 -9.329 479 HE1 TYR 59 HE1 TYR 59 -7.754 -8.714 -4.511 480 HE2 TYR 59 HE2 TYR 59 -9.689 -7.880 -8.230 481 HH TYR 59 HH TYR 59 -10.034 -6.716 -6.353 482 H ASN 60 H ASN 60 -7.506 -14.813 -9.248 483 HA ASN 60 HA ASN 60 -6.165 -16.511 -10.025 484 1HB ASN 60 1HB ASN 60 -5.369 -15.931 -12.443 485 2HB ASN 60 2HB ASN 60 -7.093 -16.031 -12.100 486 1HD2 ASN 60 1HD2 ASN 60 -4.555 -14.090 -13.217 487 2HD2 ASN 60 2HD2 ASN 60 -5.443 -12.621 -13.414 488 H LEU 61 H LEU 61 -4.672 -15.403 -8.183 489 HA LEU 61 HA LEU 61 -2.170 -14.413 -9.235 490 1HB LEU 61 1HB LEU 61 -3.457 -14.619 -6.632 491 2HB LEU 61 2HB LEU 61 -1.760 -15.058 -6.570 492 HG LEU 61 HG LEU 61 -2.892 -12.441 -7.566 493 1HD1 LEU 61 1HD1 LEU 61 -0.986 -12.267 -5.430 494 2HD1 LEU 61 2HD1 LEU 61 -2.317 -13.331 -4.973 495 3HD1 LEU 61 3HD1 LEU 61 -2.648 -11.680 -5.498 496 1HD2 LEU 61 1HD2 LEU 61 -0.501 -11.759 -7.686 497 2HD2 LEU 61 2HD2 LEU 61 -0.963 -12.974 -8.878 498 3HD2 LEU 61 3HD2 LEU 61 -0.056 -13.448 -7.442 499 H GLN 62 H GLN 62 -0.602 -15.672 -9.968 500 HA GLN 62 HA GLN 62 -0.514 -18.476 -9.086 501 1HB GLN 62 1HB GLN 62 0.529 -17.145 -11.588 502 2HB GLN 62 2HB GLN 62 0.875 -18.815 -11.159 503 1HG GLN 62 1HG GLN 62 -1.709 -19.035 -11.024 504 2HG GLN 62 2HG GLN 62 -1.699 -17.575 -12.010 505 1HE2 GLN 62 1HE2 GLN 62 -2.274 -18.258 -13.965 506 2HE2 GLN 62 2HE2 GLN 62 -1.497 -19.521 -14.851 507 H LYS 63 H LYS 63 1.675 -19.457 -8.958 508 HA LYS 63 HA LYS 63 3.269 -18.266 -7.071 509 1HB LYS 63 1HB LYS 63 3.537 -20.589 -7.471 510 2HB LYS 63 2HB LYS 63 3.928 -20.329 -9.166 511 1HG LYS 63 1HG LYS 63 6.091 -20.102 -8.723 512 2HG LYS 63 2HG LYS 63 5.779 -18.956 -7.418 513 1HD LYS 63 1HD LYS 63 5.038 -21.101 -6.114 514 2HD LYS 63 2HD LYS 63 6.033 -21.929 -7.314 515 1HE LYS 63 1HE LYS 63 7.982 -20.885 -6.604 516 2HE LYS 63 2HE LYS 63 7.107 -19.568 -5.822 517 1HZ LYS 63 1HZ LYS 63 8.007 -21.035 -4.168 518 2HZ LYS 63 2HZ LYS 63 7.272 -22.380 -4.882 519 3HZ LYS 63 3HZ LYS 63 6.322 -21.181 -4.160 520 H GLU 64 H GLU 64 4.964 -16.879 -7.041 521 HA GLU 64 HA GLU 64 6.367 -15.225 -7.723 522 1HB GLU 64 1HB GLU 64 7.508 -17.129 -8.813 523 2HB GLU 64 2HB GLU 64 6.536 -16.870 -10.255 524 1HG GLU 64 1HG GLU 64 7.977 -14.497 -9.333 525 2HG GLU 64 2HG GLU 64 9.011 -15.837 -9.828 526 H SER 65 H SER 65 4.819 -13.586 -7.771 527 HA SER 65 HA SER 65 3.963 -12.806 -10.477 528 1HB SER 65 1HB SER 65 2.275 -12.080 -8.115 529 2HB SER 65 2HB SER 65 1.806 -12.304 -9.800 530 HG SER 65 HG SER 65 2.270 -14.234 -7.807 531 H THR 66 H THR 66 3.710 -10.526 -10.817 532 HA THR 66 HA THR 66 5.395 -8.935 -9.000 533 HB THR 66 HB THR 66 4.801 -7.974 -11.751 534 HG1 THR 66 HG1 THR 66 5.734 -9.576 -12.702 535 1HG2 THR 66 1HG2 THR 66 6.494 -6.628 -11.325 536 2HG2 THR 66 2HG2 THR 66 7.560 -8.011 -11.087 537 3HG2 THR 66 3HG2 THR 66 6.657 -7.350 -9.725 538 H ILE 67 H ILE 67 4.368 -7.499 -7.790 539 HA ILE 67 HA ILE 67 1.871 -6.317 -8.821 540 HB ILE 67 HB ILE 67 2.535 -6.866 -5.927 541 1HG1 ILE 67 1HG1 ILE 67 0.202 -8.224 -6.962 542 2HG1 ILE 67 2HG1 ILE 67 1.629 -8.649 -7.900 543 1HG2 ILE 67 1HG2 ILE 67 -0.107 -6.425 -5.962 544 2HG2 ILE 67 2HG2 ILE 67 0.380 -5.388 -7.302 545 3HG2 ILE 67 3HG2 ILE 67 1.081 -5.149 -5.701 546 1HD1 ILE 67 1HD1 ILE 67 0.868 -9.415 -5.205 547 2HD1 ILE 67 2HD1 ILE 67 2.528 -8.832 -5.319 548 3HD1 ILE 67 3HD1 ILE 67 1.993 -10.175 -6.329 549 H HIS 68 H HIS 68 1.728 -4.151 -8.844 550 HA HIS 68 HA HIS 68 4.047 -2.636 -7.909 551 1HB HIS 68 1HB HIS 68 1.735 -1.807 -9.678 552 2HB HIS 68 2HB HIS 68 3.121 -0.798 -9.279 553 HD1 HIS 68 HD1 HIS 68 4.206 -0.606 -11.530 554 HD2 HIS 68 HD2 HIS 68 3.380 -4.543 -10.488 555 HE1 HIS 68 HE1 HIS 68 5.312 -2.014 -13.294 556 HE2 HIS 68 HE2 HIS 68 4.886 -4.394 -12.586 557 H LEU 69 H LEU 69 3.905 -1.988 -5.857 558 HA LEU 69 HA LEU 69 1.315 -1.227 -4.748 559 1HB LEU 69 1HB LEU 69 2.519 -2.659 -3.313 560 2HB LEU 69 2HB LEU 69 4.011 -1.768 -3.540 561 HG LEU 69 HG LEU 69 2.788 -1.511 -1.301 562 1HD1 LEU 69 1HD1 LEU 69 3.885 0.433 -0.992 563 2HD1 LEU 69 2HD1 LEU 69 3.169 1.189 -2.416 564 3HD1 LEU 69 3HD1 LEU 69 4.524 0.075 -2.596 565 1HD2 LEU 69 1HD2 LEU 69 0.736 -0.669 -1.238 566 2HD2 LEU 69 2HD2 LEU 69 0.690 -0.791 -2.997 567 3HD2 LEU 69 3HD2 LEU 69 1.214 0.708 -2.231 568 H VAL 70 H VAL 70 0.705 0.811 -4.432 569 HA VAL 70 HA VAL 70 2.747 2.926 -4.652 570 HB VAL 70 HB VAL 70 0.330 4.118 -5.348 571 1HG1 VAL 70 1HG1 VAL 70 2.850 4.115 -6.257 572 2HG1 VAL 70 2HG1 VAL 70 1.499 4.811 -7.154 573 3HG1 VAL 70 3HG1 VAL 70 2.074 3.188 -7.541 574 1HG2 VAL 70 1HG2 VAL 70 -0.610 1.837 -5.649 575 2HG2 VAL 70 2HG2 VAL 70 0.607 1.544 -6.890 576 3HG2 VAL 70 3HG2 VAL 70 -0.607 2.801 -7.125 577 H LEU 71 H LEU 71 2.753 4.474 -3.122 578 HA LEU 71 HA LEU 71 1.124 4.078 -0.786 579 1HB LEU 71 1HB LEU 71 3.324 5.988 -1.512 580 2HB LEU 71 2HB LEU 71 2.401 6.193 -0.036 581 HG LEU 71 HG LEU 71 4.518 5.018 0.362 582 1HD1 LEU 71 1HD1 LEU 71 2.233 3.098 0.723 583 2HD1 LEU 71 2HD1 LEU 71 2.421 4.560 1.689 584 3HD1 LEU 71 3HD1 LEU 71 3.658 3.304 1.742 585 1HD2 LEU 71 1HD2 LEU 71 3.386 2.817 -1.354 586 2HD2 LEU 71 2HD2 LEU 71 4.945 2.833 -0.530 587 3HD2 LEU 71 3HD2 LEU 71 4.644 3.940 -1.869 588 H ARG 72 H ARG 72 -0.599 5.224 -0.119 589 HA ARG 72 HA ARG 72 -2.046 6.795 -1.960 590 1HB ARG 72 1HB ARG 72 -2.870 5.437 0.092 591 2HB ARG 72 2HB ARG 72 -2.518 6.899 1.004 592 1HG ARG 72 1HG ARG 72 -3.990 7.810 -1.147 593 2HG ARG 72 2HG ARG 72 -4.759 6.279 -0.723 594 1HD ARG 72 1HD ARG 72 -4.953 7.025 1.600 595 2HD ARG 72 2HD ARG 72 -4.186 8.554 1.174 596 HE ARG 72 HE ARG 72 -6.200 9.279 0.392 597 1HH1 ARG 72 1HH1 ARG 72 -7.912 5.675 0.071 598 2HH1 ARG 72 2HH1 ARG 72 -6.241 5.800 0.507 599 1HH2 ARG 72 1HH2 ARG 72 -8.403 9.128 -0.183 600 2HH2 ARG 72 2HH2 ARG 72 -9.141 7.568 -0.322 601 H LEU 73 H LEU 73 -0.030 8.204 -2.346 602 HA LEU 73 HA LEU 73 0.814 10.319 -2.354 603 1HB LEU 73 1HB LEU 73 -1.356 10.989 -0.369 604 2HB LEU 73 2HB LEU 73 -0.444 12.119 -1.351 605 HG LEU 73 HG LEU 73 -2.109 10.019 -2.686 606 1HD1 LEU 73 1HD1 LEU 73 -4.025 10.834 -1.930 607 2HD1 LEU 73 2HD1 LEU 73 -3.583 12.435 -2.521 608 3HD1 LEU 73 3HD1 LEU 73 -3.148 11.949 -0.882 609 1HD2 LEU 73 1HD2 LEU 73 -0.718 12.492 -3.402 610 2HD2 LEU 73 2HD2 LEU 73 -2.343 12.349 -4.071 611 3HD2 LEU 73 3HD2 LEU 73 -1.143 11.098 -4.394 612 H ARG 74 H ARG 74 2.750 9.714 -1.393 613 HA ARG 74 HA ARG 74 3.406 9.072 1.130 614 1HB ARG 74 1HB ARG 74 5.101 9.265 -0.571 615 2HB ARG 74 2HB ARG 74 4.865 11.004 -0.676 616 1HG ARG 74 1HG ARG 74 5.541 10.117 2.010 617 2HG ARG 74 2HG ARG 74 6.776 9.716 0.815 618 1HD ARG 74 1HD ARG 74 5.702 12.407 1.586 619 2HD ARG 74 2HD ARG 74 7.373 11.846 1.574 620 HE ARG 74 HE ARG 74 5.861 12.877 -0.660 621 1HH1 ARG 74 1HH1 ARG 74 9.505 11.280 -1.111 622 2HH1 ARG 74 2HH1 ARG 74 8.631 11.031 0.362 623 1HH2 ARG 74 1HH2 ARG 74 7.002 13.211 -2.607 624 2HH2 ARG 74 2HH2 ARG 74 8.579 12.520 -2.800 625 H GLY 75 H GLY 75 3.378 9.941 3.117 626 1HA GLY 75 1HA GLY 75 3.850 12.156 4.304 627 2HA GLY 75 2HA GLY 75 2.509 12.750 3.338 628 H GLY 76 H GLY 76 2.872 12.523 6.280 629 1HA GLY 76 1HA GLY 76 0.233 11.706 6.916 630 2HA GLY 76 2HA GLY 76 1.378 10.465 7.403 Start of MODEL 12 1 1H MET 1 1H MET 1 3.377 -20.877 -1.481 2 2H MET 1 2H MET 1 1.842 -20.820 -2.250 3 3H MET 1 3H MET 1 2.370 -19.505 -1.283 4 HA MET 1 HA MET 1 4.008 -20.323 -3.533 5 1HB MET 1 1HB MET 1 2.653 -19.078 -5.087 6 2HB MET 1 2HB MET 1 1.638 -20.291 -4.320 7 1HG MET 1 1HG MET 1 0.574 -18.681 -2.960 8 2HG MET 1 2HG MET 1 1.761 -17.445 -3.374 9 1HE MET 1 1HE MET 1 -1.823 -16.489 -4.722 10 2HE MET 1 2HE MET 1 -1.105 -17.058 -3.215 11 3HE MET 1 3HE MET 1 -2.011 -18.174 -4.236 12 H GLN 2 H GLN 2 5.377 -18.651 -4.153 13 HA GLN 2 HA GLN 2 5.627 -16.502 -2.188 14 1HB GLN 2 1HB GLN 2 7.502 -17.713 -4.200 15 2HB GLN 2 2HB GLN 2 7.853 -16.155 -3.465 16 1HG GLN 2 1HG GLN 2 7.160 -17.933 -1.381 17 2HG GLN 2 2HG GLN 2 8.306 -18.764 -2.433 18 1HE2 GLN 2 1HE2 GLN 2 7.882 -16.405 -0.030 19 2HE2 GLN 2 2HE2 GLN 2 9.513 -15.843 0.044 20 H LEU 3 H LEU 3 5.656 -14.340 -2.716 21 HA LEU 3 HA LEU 3 5.056 -13.626 -5.502 22 1HB LEU 3 1HB LEU 3 3.681 -12.229 -3.235 23 2HB LEU 3 2HB LEU 3 3.241 -12.271 -4.932 24 HG LEU 3 HG LEU 3 3.132 -14.784 -3.308 25 1HD1 LEU 3 1HD1 LEU 3 0.746 -14.252 -2.838 26 2HD1 LEU 3 2HD1 LEU 3 1.063 -12.598 -3.361 27 3HD1 LEU 3 3HD1 LEU 3 1.896 -13.252 -1.951 28 1HD2 LEU 3 1HD2 LEU 3 1.000 -14.355 -5.167 29 2HD2 LEU 3 2HD2 LEU 3 2.246 -15.604 -5.170 30 3HD2 LEU 3 3HD2 LEU 3 2.547 -14.056 -5.961 31 H PHE 4 H PHE 4 5.622 -11.477 -6.099 32 HA PHE 4 HA PHE 4 7.726 -10.346 -4.389 33 1HB PHE 4 1HB PHE 4 7.301 -9.605 -7.270 34 2HB PHE 4 2HB PHE 4 8.777 -9.524 -6.315 35 HD1 PHE 4 HD1 PHE 4 8.056 -10.878 -9.097 36 HD2 PHE 4 HD2 PHE 4 8.649 -12.296 -5.119 37 HE1 PHE 4 HE1 PHE 4 8.745 -13.071 -9.986 38 HE2 PHE 4 HE2 PHE 4 9.341 -14.493 -6.001 39 HZ PHE 4 HZ PHE 4 9.388 -14.882 -8.438 40 H VAL 5 H VAL 5 7.777 -8.161 -3.891 41 HA VAL 5 HA VAL 5 5.444 -6.558 -4.677 42 HB VAL 5 HB VAL 5 6.505 -6.678 -1.851 43 1HG1 VAL 5 1HG1 VAL 5 5.095 -5.001 -1.321 44 2HG1 VAL 5 2HG1 VAL 5 3.853 -5.544 -2.450 45 3HG1 VAL 5 3HG1 VAL 5 5.234 -4.615 -3.035 46 1HG2 VAL 5 1HG2 VAL 5 3.912 -7.554 -1.760 47 2HG2 VAL 5 2HG2 VAL 5 5.341 -8.586 -1.710 48 3HG2 VAL 5 3HG2 VAL 5 4.513 -8.302 -3.241 49 H LYS 6 H LYS 6 6.243 -4.877 -5.746 50 HA LYS 6 HA LYS 6 8.792 -3.709 -4.867 51 1HB LYS 6 1HB LYS 6 9.092 -2.877 -7.058 52 2HB LYS 6 2HB LYS 6 8.494 -4.518 -7.260 53 1HG LYS 6 1HG LYS 6 6.268 -3.681 -7.727 54 2HG LYS 6 2HG LYS 6 6.816 -2.025 -7.450 55 1HD LYS 6 1HD LYS 6 8.332 -3.602 -9.438 56 2HD LYS 6 2HD LYS 6 6.688 -3.145 -9.885 57 1HE LYS 6 1HE LYS 6 7.165 -0.900 -9.883 58 2HE LYS 6 2HE LYS 6 8.482 -1.073 -8.724 59 1HZ LYS 6 1HZ LYS 6 8.504 -1.403 -11.626 60 2HZ LYS 6 2HZ LYS 6 9.521 -2.408 -10.725 61 3HZ LYS 6 3HZ LYS 6 9.674 -0.728 -10.606 62 H THR 7 H THR 7 8.956 -1.295 -5.194 63 HA THR 7 HA THR 7 6.434 0.011 -4.410 64 HB THR 7 HB THR 7 8.106 1.647 -3.220 65 HG1 THR 7 HG1 THR 7 9.989 0.606 -3.968 66 1HG2 THR 7 1HG2 THR 7 7.309 0.810 -1.333 67 2HG2 THR 7 2HG2 THR 7 8.144 -0.724 -1.579 68 3HG2 THR 7 3HG2 THR 7 6.560 -0.455 -2.305 69 H LEU 8 H LEU 8 7.092 2.605 -4.481 70 HA LEU 8 HA LEU 8 7.171 3.167 -7.267 71 1HB LEU 8 1HB LEU 8 6.889 4.713 -4.766 72 2HB LEU 8 2HB LEU 8 7.542 5.594 -6.134 73 HG LEU 8 HG LEU 8 4.884 4.166 -6.033 74 1HD1 LEU 8 1HD1 LEU 8 5.463 6.558 -4.953 75 2HD1 LEU 8 2HD1 LEU 8 3.897 6.157 -5.656 76 3HD1 LEU 8 3HD1 LEU 8 5.086 7.049 -6.605 77 1HD2 LEU 8 1HD2 LEU 8 5.258 3.955 -8.246 78 2HD2 LEU 8 2HD2 LEU 8 6.498 5.208 -8.266 79 3HD2 LEU 8 3HD2 LEU 8 4.792 5.655 -8.269 80 H THR 9 H THR 9 9.569 2.907 -4.819 81 HA THR 9 HA THR 9 11.551 4.409 -6.333 82 HB THR 9 HB THR 9 13.054 3.883 -4.439 83 HG1 THR 9 HG1 THR 9 10.790 2.594 -3.322 84 1HG2 THR 9 1HG2 THR 9 10.555 4.756 -3.098 85 2HG2 THR 9 2HG2 THR 9 11.217 5.759 -4.388 86 3HG2 THR 9 3HG2 THR 9 12.195 5.390 -2.967 87 H GLY 10 H GLY 10 10.618 1.119 -5.665 88 1HA GLY 10 1HA GLY 10 11.315 -0.395 -7.561 89 2HA GLY 10 2HA GLY 10 12.943 0.171 -7.219 90 H LYS 11 H LYS 11 12.431 0.184 -4.305 91 HA LYS 11 HA LYS 11 13.562 -2.142 -3.512 92 1HB LYS 11 1HB LYS 11 13.258 -0.404 -1.914 93 2HB LYS 11 2HB LYS 11 11.508 -0.459 -2.084 94 1HG LYS 11 1HG LYS 11 11.374 -1.898 -0.413 95 2HG LYS 11 2HG LYS 11 12.408 -3.032 -1.285 96 1HD LYS 11 1HD LYS 11 14.310 -2.347 -0.198 97 2HD LYS 11 2HD LYS 11 13.678 -0.728 0.111 98 1HE LYS 11 1HE LYS 11 12.172 -2.864 1.424 99 2HE LYS 11 2HE LYS 11 13.850 -2.746 1.952 100 1HZ LYS 11 1HZ LYS 11 11.761 -1.212 2.824 101 2HZ LYS 11 2HZ LYS 11 12.604 -0.184 1.778 102 3HZ LYS 11 3HZ LYS 11 13.404 -0.903 3.083 103 H THR 12 H THR 12 12.986 -4.098 -4.254 104 HA THR 12 HA THR 12 10.162 -4.896 -4.000 105 HB THR 12 HB THR 12 12.126 -6.421 -5.666 106 HG1 THR 12 HG1 THR 12 11.323 -4.987 -7.420 107 1HG2 THR 12 1HG2 THR 12 9.171 -5.944 -5.756 108 2HG2 THR 12 2HG2 THR 12 10.044 -7.471 -5.621 109 3HG2 THR 12 3HG2 THR 12 10.062 -6.577 -7.141 110 H LEU 13 H LEU 13 9.626 -6.781 -2.962 111 HA LEU 13 HA LEU 13 11.786 -8.386 -1.805 112 1HB LEU 13 1HB LEU 13 10.590 -8.408 0.378 113 2HB LEU 13 2HB LEU 13 11.274 -6.850 -0.050 114 HG LEU 13 HG LEU 13 8.594 -6.910 -1.006 115 1HD1 LEU 13 1HD1 LEU 13 8.999 -8.117 1.684 116 2HD1 LEU 13 2HD1 LEU 13 7.793 -8.483 0.450 117 3HD1 LEU 13 3HD1 LEU 13 7.633 -7.028 1.435 118 1HD2 LEU 13 1HD2 LEU 13 10.345 -5.293 0.640 119 2HD2 LEU 13 2HD2 LEU 13 8.680 -5.272 1.220 120 3HD2 LEU 13 3HD2 LEU 13 9.041 -4.804 -0.442 121 H THR 14 H THR 14 10.937 -10.433 -0.825 122 HA THR 14 HA THR 14 8.672 -11.416 -2.427 123 HB THR 14 HB THR 14 10.851 -13.087 -1.174 124 HG1 THR 14 HG1 THR 14 10.762 -11.726 -3.620 125 1HG2 THR 14 1HG2 THR 14 9.259 -14.618 -1.722 126 2HG2 THR 14 2HG2 THR 14 10.135 -14.519 -3.250 127 3HG2 THR 14 3HG2 THR 14 8.617 -13.645 -3.045 128 H VAL 15 H VAL 15 7.205 -12.910 -1.465 129 HA VAL 15 HA VAL 15 7.260 -13.137 1.446 130 HB VAL 15 HB VAL 15 4.681 -12.578 1.286 131 1HG1 VAL 15 1HG1 VAL 15 6.822 -10.455 1.372 132 2HG1 VAL 15 2HG1 VAL 15 6.294 -11.449 2.730 133 3HG1 VAL 15 3HG1 VAL 15 5.181 -10.294 1.995 134 1HG2 VAL 15 1HG2 VAL 15 4.087 -10.947 -0.309 135 2HG2 VAL 15 2HG2 VAL 15 4.920 -12.209 -1.217 136 3HG2 VAL 15 3HG2 VAL 15 5.762 -10.713 -0.811 137 H GLU 16 H GLU 16 5.914 -14.798 2.279 138 HA GLU 16 HA GLU 16 5.226 -16.827 0.270 139 1HB GLU 16 1HB GLU 16 6.546 -16.929 2.819 140 2HB GLU 16 2HB GLU 16 5.106 -17.935 2.867 141 1HG GLU 16 1HG GLU 16 6.393 -18.469 0.421 142 2HG GLU 16 2HG GLU 16 7.636 -18.468 1.672 143 H LEU 17 H LEU 17 3.147 -16.474 -0.303 144 HA LEU 17 HA LEU 17 1.145 -16.614 1.843 145 1HB LEU 17 1HB LEU 17 0.990 -14.801 -0.566 146 2HB LEU 17 2HB LEU 17 -0.256 -14.995 0.653 147 HG LEU 17 HG LEU 17 2.507 -13.971 1.292 148 1HD1 LEU 17 1HD1 LEU 17 1.583 -12.427 -0.283 149 2HD1 LEU 17 2HD1 LEU 17 1.435 -11.724 1.328 150 3HD1 LEU 17 3HD1 LEU 17 0.025 -12.437 0.543 151 1HD2 LEU 17 1HD2 LEU 17 -0.119 -13.984 2.763 152 2HD2 LEU 17 2HD2 LEU 17 1.281 -13.032 3.261 153 3HD2 LEU 17 3HD2 LEU 17 1.380 -14.793 3.220 154 H GLU 18 H GLU 18 -0.938 -17.426 1.163 155 HA GLU 18 HA GLU 18 -0.700 -19.253 -1.133 156 1HB GLU 18 1HB GLU 18 -2.715 -19.533 1.080 157 2HB GLU 18 2HB GLU 18 -2.119 -20.766 -0.022 158 1HG GLU 18 1HG GLU 18 -0.207 -19.467 1.849 159 2HG GLU 18 2HG GLU 18 -1.329 -20.676 2.471 160 HA PRO 19 HA PRO 19 -3.948 -17.333 -3.383 161 1HB PRO 19 1HB PRO 19 -5.497 -19.500 -4.099 162 2HB PRO 19 2HB PRO 19 -4.010 -19.015 -4.921 163 1HG PRO 19 1HG PRO 19 -4.431 -21.132 -2.851 164 2HG PRO 19 2HG PRO 19 -3.416 -21.170 -4.305 165 1HD PRO 19 1HD PRO 19 -2.365 -20.775 -1.868 166 2HD PRO 19 2HD PRO 19 -1.717 -19.954 -3.303 167 H SER 20 H SER 20 -4.644 -19.259 -0.621 168 HA SER 20 HA SER 20 -7.458 -18.621 -0.531 169 1HB SER 20 1HB SER 20 -7.570 -19.981 1.368 170 2HB SER 20 2HB SER 20 -6.261 -20.719 0.444 171 HG SER 20 HG SER 20 -5.929 -20.254 2.793 172 H ASP 21 H ASP 21 -4.500 -17.236 0.568 173 HA ASP 21 HA ASP 21 -5.404 -15.731 2.752 174 1HB ASP 21 1HB ASP 21 -3.150 -15.353 0.794 175 2HB ASP 21 2HB ASP 21 -3.461 -14.176 2.067 176 H THR 22 H THR 22 -5.357 -13.222 2.655 177 HA THR 22 HA THR 22 -6.891 -12.299 0.320 178 HB THR 22 HB THR 22 -8.370 -11.030 1.779 179 HG1 THR 22 HG1 THR 22 -8.187 -11.123 3.977 180 1HG2 THR 22 1HG2 THR 22 -9.434 -12.905 3.094 181 2HG2 THR 22 2HG2 THR 22 -8.153 -13.941 2.466 182 3HG2 THR 22 3HG2 THR 22 -9.275 -13.152 1.356 183 H VAL 23 H VAL 23 -6.944 -9.906 0.131 184 HA VAL 23 HA VAL 23 -4.444 -8.792 -0.039 185 HB VAL 23 HB VAL 23 -6.894 -7.135 0.542 186 1HG1 VAL 23 1HG1 VAL 23 -5.631 -5.404 -0.039 187 2HG1 VAL 23 2HG1 VAL 23 -5.178 -6.187 -1.554 188 3HG1 VAL 23 3HG1 VAL 23 -4.241 -6.487 -0.090 189 1HG2 VAL 23 1HG2 VAL 23 -7.094 -7.182 -2.032 190 2HG2 VAL 23 2HG2 VAL 23 -7.712 -8.552 -1.110 191 3HG2 VAL 23 3HG2 VAL 23 -6.150 -8.668 -1.922 192 H GLU 24 H GLU 24 -6.546 -8.974 2.736 193 HA GLU 24 HA GLU 24 -5.304 -7.009 4.334 194 1HB GLU 24 1HB GLU 24 -7.361 -8.983 4.637 195 2HB GLU 24 2HB GLU 24 -6.273 -9.073 6.015 196 1HG GLU 24 1HG GLU 24 -6.583 -6.447 5.962 197 2HG GLU 24 2HG GLU 24 -8.091 -6.892 5.166 198 H ASN 25 H ASN 25 -4.839 -10.529 4.143 199 HA ASN 25 HA ASN 25 -2.854 -10.753 6.091 200 1HB ASN 25 1HB ASN 25 -3.237 -12.403 3.583 201 2HB ASN 25 2HB ASN 25 -2.237 -12.865 4.957 202 1HD2 ASN 25 1HD2 ASN 25 -3.190 -13.600 6.815 203 2HD2 ASN 25 2HD2 ASN 25 -4.872 -13.981 6.924 204 H LEU 26 H LEU 26 -2.541 -10.310 2.575 205 HA LEU 26 HA LEU 26 0.258 -10.249 2.478 206 1HB LEU 26 1HB LEU 26 -0.801 -10.492 0.417 207 2HB LEU 26 2HB LEU 26 -1.906 -9.165 0.718 208 HG LEU 26 HG LEU 26 -0.205 -7.540 0.296 209 1HD1 LEU 26 1HD1 LEU 26 2.033 -8.934 -0.576 210 2HD1 LEU 26 2HD1 LEU 26 1.563 -9.734 0.925 211 3HD1 LEU 26 3HD1 LEU 26 1.879 -7.998 0.910 212 1HD2 LEU 26 1HD2 LEU 26 0.320 -9.565 -1.839 213 2HD2 LEU 26 2HD2 LEU 26 0.057 -7.827 -1.982 214 3HD2 LEU 26 3HD2 LEU 26 -1.299 -8.897 -1.628 215 H LYS 27 H LYS 27 -2.056 -7.539 2.589 216 HA LYS 27 HA LYS 27 -0.286 -5.434 2.656 217 1HB LYS 27 1HB LYS 27 -2.996 -5.846 3.870 218 2HB LYS 27 2HB LYS 27 -2.109 -4.365 4.201 219 1HG LYS 27 1HG LYS 27 -1.876 -4.373 1.555 220 2HG LYS 27 2HG LYS 27 -3.366 -5.308 1.693 221 1HD LYS 27 1HD LYS 27 -4.132 -3.419 3.279 222 2HD LYS 27 2HD LYS 27 -2.818 -2.491 2.553 223 1HE LYS 27 1HE LYS 27 -4.005 -3.483 0.339 224 2HE LYS 27 2HE LYS 27 -5.398 -3.348 1.412 225 1HZ LYS 27 1HZ LYS 27 -3.517 -1.156 0.716 226 2HZ LYS 27 2HZ LYS 27 -4.824 -1.019 1.781 227 3HZ LYS 27 3HZ LYS 27 -5.100 -1.331 0.142 228 H ALA 28 H ALA 28 -1.508 -7.320 5.410 229 HA ALA 28 HA ALA 28 -0.245 -5.970 7.469 230 1HB ALA 28 1HB ALA 28 -1.478 -8.565 7.103 231 2HB ALA 28 2HB ALA 28 -1.450 -7.520 8.524 232 3HB ALA 28 3HB ALA 28 -0.120 -8.638 8.224 233 H LYS 29 H LYS 29 0.992 -8.654 5.493 234 HA LYS 29 HA LYS 29 3.455 -8.983 6.746 235 1HB LYS 29 1HB LYS 29 2.842 -9.288 3.799 236 2HB LYS 29 2HB LYS 29 4.216 -9.989 4.644 237 1HG LYS 29 1HG LYS 29 1.760 -10.731 5.939 238 2HG LYS 29 2HG LYS 29 1.709 -11.139 4.223 239 1HD LYS 29 1HD LYS 29 3.369 -12.680 4.401 240 2HD LYS 29 2HD LYS 29 4.200 -11.796 5.682 241 1HE LYS 29 1HE LYS 29 1.589 -12.782 6.503 242 2HE LYS 29 2HE LYS 29 2.677 -14.075 5.996 243 1HZ LYS 29 1HZ LYS 29 4.102 -13.674 7.703 244 2HZ LYS 29 2HZ LYS 29 2.667 -13.171 8.446 245 3HZ LYS 29 3HZ LYS 29 3.730 -12.025 7.800 246 H ILE 30 H ILE 30 2.410 -6.663 4.327 247 HA ILE 30 HA ILE 30 5.027 -5.589 3.856 248 HB ILE 30 HB ILE 30 2.405 -4.222 3.273 249 1HG1 ILE 30 1HG1 ILE 30 3.896 -6.141 1.471 250 2HG1 ILE 30 2HG1 ILE 30 2.462 -6.573 2.397 251 1HG2 ILE 30 1HG2 ILE 30 4.353 -3.828 1.266 252 2HG2 ILE 30 2HG2 ILE 30 5.141 -3.569 2.821 253 3HG2 ILE 30 3HG2 ILE 30 3.699 -2.647 2.400 254 1HD1 ILE 30 1HD1 ILE 30 2.198 -5.937 -0.073 255 2HD1 ILE 30 2HD1 ILE 30 2.411 -4.277 0.485 256 3HD1 ILE 30 3HD1 ILE 30 1.074 -5.249 1.100 257 H GLN 31 H GLN 31 2.585 -5.139 6.220 258 HA GLN 31 HA GLN 31 3.541 -2.513 7.025 259 1HB GLN 31 1HB GLN 31 1.116 -3.104 7.083 260 2HB GLN 31 2HB GLN 31 1.471 -4.274 8.347 261 1HG GLN 31 1HG GLN 31 2.298 -2.454 9.774 262 2HG GLN 31 2HG GLN 31 1.870 -1.297 8.514 263 1HE2 GLN 31 1HE2 GLN 31 0.544 -0.321 10.166 264 2HE2 GLN 31 2HE2 GLN 31 -1.033 -0.954 10.478 265 H ASP 32 H ASP 32 4.046 -5.824 7.798 266 HA ASP 32 HA ASP 32 5.203 -5.246 10.400 267 1HB ASP 32 1HB ASP 32 4.017 -7.509 9.204 268 2HB ASP 32 2HB ASP 32 5.689 -7.926 9.556 269 H LYS 33 H LYS 33 6.199 -5.852 7.132 270 HA LYS 33 HA LYS 33 9.000 -6.105 7.962 271 1HB LYS 33 1HB LYS 33 7.539 -6.707 5.406 272 2HB LYS 33 2HB LYS 33 9.290 -6.549 5.430 273 1HG LYS 33 1HG LYS 33 8.813 -8.267 7.514 274 2HG LYS 33 2HG LYS 33 7.595 -8.737 6.326 275 1HD LYS 33 1HD LYS 33 10.137 -8.275 5.051 276 2HD LYS 33 2HD LYS 33 10.300 -9.450 6.359 277 1HE LYS 33 1HE LYS 33 8.748 -10.910 5.395 278 2HE LYS 33 2HE LYS 33 8.098 -9.661 4.334 279 1HZ LYS 33 1HZ LYS 33 9.792 -11.492 3.495 280 2HZ LYS 33 2HZ LYS 33 10.915 -10.335 4.006 281 3HZ LYS 33 3HZ LYS 33 9.755 -9.932 2.842 282 H GLU 34 H GLU 34 7.023 -4.281 5.620 283 HA GLU 34 HA GLU 34 9.169 -2.346 5.287 284 1HB GLU 34 1HB GLU 34 6.445 -2.556 3.996 285 2HB GLU 34 2HB GLU 34 7.637 -1.325 3.607 286 1HG GLU 34 1HG GLU 34 7.573 -4.200 2.910 287 2HG GLU 34 2HG GLU 34 8.078 -2.809 1.951 288 H GLY 35 H GLY 35 6.628 -2.786 7.397 289 1HA GLY 35 1HA GLY 35 5.699 -1.430 9.000 290 2HA GLY 35 2HA GLY 35 6.976 -0.279 8.640 291 H ILE 36 H ILE 36 4.814 -1.331 6.131 292 HA ILE 36 HA ILE 36 3.749 1.393 5.976 293 HB ILE 36 HB ILE 36 3.234 -0.725 3.918 294 1HG1 ILE 36 1HG1 ILE 36 5.601 -0.876 4.162 295 2HG1 ILE 36 2HG1 ILE 36 5.309 0.139 2.752 296 1HG2 ILE 36 1HG2 ILE 36 3.547 2.271 3.785 297 2HG2 ILE 36 2HG2 ILE 36 2.029 1.373 3.727 298 3HG2 ILE 36 3HG2 ILE 36 3.198 1.216 2.416 299 1HD1 ILE 36 1HD1 ILE 36 6.004 1.130 5.504 300 2HD1 ILE 36 2HD1 ILE 36 5.743 2.127 4.074 301 3HD1 ILE 36 3HD1 ILE 36 7.108 1.011 4.135 302 HA PRO 37 HA PRO 37 -0.132 -0.104 7.547 303 1HB PRO 37 1HB PRO 37 -1.492 2.202 7.423 304 2HB PRO 37 2HB PRO 37 -0.188 1.961 8.591 305 1HG PRO 37 1HG PRO 37 -0.156 3.427 5.984 306 2HG PRO 37 2HG PRO 37 0.592 3.873 7.528 307 1HD PRO 37 1HD PRO 37 1.934 2.704 5.425 308 2HD PRO 37 2HD PRO 37 2.453 2.612 7.120 309 HA PRO 38 HA PRO 38 -2.391 -1.250 3.912 310 1HB PRO 38 1HB PRO 38 -4.841 -1.631 5.138 311 2HB PRO 38 2HB PRO 38 -3.543 -2.826 5.087 312 1HG PRO 38 1HG PRO 38 -4.291 -0.928 7.270 313 2HG PRO 38 2HG PRO 38 -3.761 -2.616 7.383 314 1HD PRO 38 1HD PRO 38 -2.097 -0.582 7.922 315 2HD PRO 38 2HD PRO 38 -1.525 -2.062 7.122 316 H ASP 39 H ASP 39 -3.351 1.354 6.009 317 HA ASP 39 HA ASP 39 -5.498 2.337 4.429 318 1HB ASP 39 1HB ASP 39 -5.250 2.934 6.794 319 2HB ASP 39 2HB ASP 39 -3.749 3.781 6.433 320 H GLN 40 H GLN 40 -2.030 2.933 4.483 321 HA GLN 40 HA GLN 40 -2.327 4.861 2.289 322 1HB GLN 40 1HB GLN 40 0.201 4.225 3.805 323 2HB GLN 40 2HB GLN 40 -0.120 5.620 2.784 324 1HG GLN 40 1HG GLN 40 -2.081 5.888 4.619 325 2HG GLN 40 2HG GLN 40 -0.824 5.123 5.589 326 1HE2 GLN 40 1HE2 GLN 40 -0.858 7.162 6.750 327 2HE2 GLN 40 2HE2 GLN 40 0.076 8.487 6.152 328 H GLN 41 H GLN 41 -2.042 1.652 2.574 329 HA GLN 41 HA GLN 41 0.023 1.264 0.557 330 1HB GLN 41 1HB GLN 41 -1.377 -0.434 2.514 331 2HB GLN 41 2HB GLN 41 -1.037 -1.211 0.973 332 1HG GLN 41 1HG GLN 41 1.354 -0.410 1.273 333 2HG GLN 41 2HG GLN 41 0.904 -0.039 2.937 334 1HE2 GLN 41 1HE2 GLN 41 0.578 -1.683 4.381 335 2HE2 GLN 41 2HE2 GLN 41 0.961 -3.333 4.040 336 H ARG 42 H ARG 42 -0.355 0.933 -1.539 337 HA ARG 42 HA ARG 42 -3.100 0.309 -2.397 338 1HB ARG 42 1HB ARG 42 -1.958 2.765 -2.746 339 2HB ARG 42 2HB ARG 42 -1.515 1.964 -4.247 340 1HG ARG 42 1HG ARG 42 -4.148 1.314 -4.046 341 2HG ARG 42 2HG ARG 42 -4.118 2.921 -3.318 342 1HD ARG 42 1HD ARG 42 -3.116 3.862 -5.279 343 2HD ARG 42 2HD ARG 42 -2.890 2.264 -5.989 344 HE ARG 42 HE ARG 42 -5.616 2.621 -5.488 345 1HH1 ARG 42 1HH1 ARG 42 -4.193 4.340 -8.812 346 2HH1 ARG 42 2HH1 ARG 42 -3.109 3.918 -7.528 347 1HH2 ARG 42 1HH2 ARG 42 -7.052 3.172 -7.174 348 2HH2 ARG 42 2HH2 ARG 42 -6.434 3.916 -8.611 349 H LEU 43 H LEU 43 -2.836 -1.775 -2.997 350 HA LEU 43 HA LEU 43 -0.496 -2.571 -4.529 351 1HB LEU 43 1HB LEU 43 -2.838 -4.300 -3.766 352 2HB LEU 43 2HB LEU 43 -1.223 -4.815 -4.213 353 HG LEU 43 HG LEU 43 -1.786 -3.215 -1.724 354 1HD1 LEU 43 1HD1 LEU 43 -1.795 -5.255 -0.471 355 2HD1 LEU 43 2HD1 LEU 43 -1.494 -6.206 -1.926 356 3HD1 LEU 43 3HD1 LEU 43 -3.033 -5.365 -1.723 357 1HD2 LEU 43 1HD2 LEU 43 0.420 -4.693 -1.247 358 2HD2 LEU 43 2HD2 LEU 43 0.455 -3.053 -1.897 359 3HD2 LEU 43 3HD2 LEU 43 0.578 -4.436 -2.985 360 H ILE 44 H ILE 44 -0.457 -2.462 -6.661 361 HA ILE 44 HA ILE 44 -3.003 -2.472 -8.134 362 HB ILE 44 HB ILE 44 -0.306 -1.526 -9.109 363 1HG1 ILE 44 1HG1 ILE 44 -1.123 -0.122 -7.265 364 2HG1 ILE 44 2HG1 ILE 44 -1.177 0.747 -8.796 365 1HG2 ILE 44 1HG2 ILE 44 -2.615 -2.205 -10.511 366 2HG2 ILE 44 2HG2 ILE 44 -1.230 -1.295 -11.115 367 3HG2 ILE 44 3HG2 ILE 44 -2.621 -0.443 -10.443 368 1HD1 ILE 44 1HD1 ILE 44 -3.675 -0.532 -8.447 369 2HD1 ILE 44 2HD1 ILE 44 -3.309 1.194 -8.454 370 3HD1 ILE 44 3HD1 ILE 44 -3.265 0.289 -6.940 371 H PHE 45 H PHE 45 -3.508 -4.241 -9.236 372 HA PHE 45 HA PHE 45 -1.336 -5.925 -10.286 373 1HB PHE 45 1HB PHE 45 -2.532 -6.818 -8.180 374 2HB PHE 45 2HB PHE 45 -3.905 -7.098 -9.247 375 HD1 PHE 45 HD1 PHE 45 -4.113 -9.345 -9.666 376 HD2 PHE 45 HD2 PHE 45 -0.226 -7.589 -9.668 377 HE1 PHE 45 HE1 PHE 45 -3.141 -11.505 -10.353 378 HE2 PHE 45 HE2 PHE 45 0.752 -9.744 -10.355 379 HZ PHE 45 HZ PHE 45 -0.707 -11.705 -10.699 380 H ALA 46 H ALA 46 -1.451 -5.721 -12.424 381 HA ALA 46 HA ALA 46 -2.266 -5.578 -14.548 382 1HB ALA 46 1HB ALA 46 -3.041 -7.915 -13.607 383 2HB ALA 46 2HB ALA 46 -3.566 -7.345 -15.191 384 3HB ALA 46 3HB ALA 46 -4.642 -7.203 -13.801 385 H GLY 47 H GLY 47 -2.792 -3.280 -13.544 386 1HA GLY 47 1HA GLY 47 -4.179 -1.450 -13.580 387 2HA GLY 47 2HA GLY 47 -5.051 -2.307 -14.841 388 H LYS 48 H LYS 48 -4.845 -3.886 -11.802 389 HA LYS 48 HA LYS 48 -7.555 -2.964 -11.108 390 1HB LYS 48 1HB LYS 48 -6.475 -5.768 -11.231 391 2HB LYS 48 2HB LYS 48 -7.843 -5.367 -10.201 392 1HG LYS 48 1HG LYS 48 -8.863 -4.360 -12.352 393 2HG LYS 48 2HG LYS 48 -7.655 -5.342 -13.182 394 1HD LYS 48 1HD LYS 48 -8.533 -7.301 -11.818 395 2HD LYS 48 2HD LYS 48 -9.888 -6.257 -11.388 396 1HE LYS 48 1HE LYS 48 -10.887 -6.831 -13.285 397 2HE LYS 48 2HE LYS 48 -9.578 -6.057 -14.176 398 1HZ LYS 48 1HZ LYS 48 -9.686 -8.893 -13.305 399 2HZ LYS 48 2HZ LYS 48 -8.349 -8.170 -14.048 400 3HZ LYS 48 3HZ LYS 48 -9.807 -8.319 -14.893 401 H GLN 49 H GLN 49 -7.798 -2.281 -9.078 402 HA GLN 49 HA GLN 49 -5.532 -2.435 -7.273 403 1HB GLN 49 1HB GLN 49 -7.366 -0.477 -7.777 404 2HB GLN 49 2HB GLN 49 -8.014 -1.185 -6.303 405 1HG GLN 49 1HG GLN 49 -5.127 -0.438 -6.474 406 2HG GLN 49 2HG GLN 49 -6.352 0.787 -6.152 407 1HE2 GLN 49 1HE2 GLN 49 -4.142 -0.845 -4.627 408 2HE2 GLN 49 2HE2 GLN 49 -4.914 -1.177 -3.118 409 H LEU 50 H LEU 50 -5.336 -3.835 -5.654 410 HA LEU 50 HA LEU 50 -7.238 -5.888 -5.225 411 1HB LEU 50 1HB LEU 50 -4.971 -5.110 -3.397 412 2HB LEU 50 2HB LEU 50 -5.765 -6.670 -3.492 413 HG LEU 50 HG LEU 50 -3.846 -5.434 -5.445 414 1HD1 LEU 50 1HD1 LEU 50 -3.051 -6.799 -3.496 415 2HD1 LEU 50 2HD1 LEU 50 -2.570 -7.403 -5.082 416 3HD1 LEU 50 3HD1 LEU 50 -3.893 -8.176 -4.208 417 1HD2 LEU 50 1HD2 LEU 50 -5.770 -7.703 -5.908 418 2HD2 LEU 50 2HD2 LEU 50 -4.322 -7.437 -6.881 419 3HD2 LEU 50 3HD2 LEU 50 -5.598 -6.219 -6.846 420 H GLU 51 H GLU 51 -8.907 -6.030 -3.864 421 HA GLU 51 HA GLU 51 -9.450 -3.749 -2.117 422 1HB GLU 51 1HB GLU 51 -11.289 -6.043 -2.808 423 2HB GLU 51 2HB GLU 51 -11.732 -4.511 -2.068 424 1HG GLU 51 1HG GLU 51 -10.509 -4.645 -4.801 425 2HG GLU 51 2HG GLU 51 -12.243 -4.834 -4.544 426 H ASP 52 H ASP 52 -9.412 -3.866 0.046 427 HA ASP 52 HA ASP 52 -8.209 -6.049 1.355 428 1HB ASP 52 1HB ASP 52 -8.905 -3.408 2.007 429 2HB ASP 52 2HB ASP 52 -9.759 -4.419 3.170 430 H GLY 53 H GLY 53 -9.333 -7.951 1.005 431 1HA GLY 53 1HA GLY 53 -11.009 -9.024 2.744 432 2HA GLY 53 2HA GLY 53 -12.145 -8.079 1.791 433 H ARG 54 H ARG 54 -10.152 -8.693 -0.534 434 HA ARG 54 HA ARG 54 -11.551 -11.116 -1.351 435 1HB ARG 54 1HB ARG 54 -9.611 -9.626 -3.085 436 2HB ARG 54 2HB ARG 54 -11.030 -10.553 -3.553 437 1HG ARG 54 1HG ARG 54 -11.569 -8.198 -1.879 438 2HG ARG 54 2HG ARG 54 -10.923 -7.858 -3.485 439 1HD ARG 54 1HD ARG 54 -13.256 -9.700 -3.024 440 2HD ARG 54 2HD ARG 54 -13.447 -7.965 -3.276 441 HE ARG 54 HE ARG 54 -11.873 -9.096 -5.337 442 1HH1 ARG 54 1HH1 ARG 54 -15.853 -9.107 -5.766 443 2HH1 ARG 54 2HH1 ARG 54 -15.156 -8.893 -4.195 444 1HH2 ARG 54 1HH2 ARG 54 -12.780 -9.377 -7.412 445 2HH2 ARG 54 2HH2 ARG 54 -14.502 -9.383 -7.594 446 H THR 55 H THR 55 -10.374 -12.870 -2.401 447 HA THR 55 HA THR 55 -7.879 -13.425 -0.983 448 HB THR 55 HB THR 55 -8.247 -15.762 -1.791 449 HG1 THR 55 HG1 THR 55 -9.493 -15.303 -3.622 450 1HG2 THR 55 1HG2 THR 55 -10.144 -14.337 -0.041 451 2HG2 THR 55 2HG2 THR 55 -9.112 -15.730 0.288 452 3HG2 THR 55 3HG2 THR 55 -10.624 -15.940 -0.597 453 H LEU 56 H LEU 56 -5.965 -13.922 -1.990 454 HA LEU 56 HA LEU 56 -5.232 -12.643 -4.291 455 1HB LEU 56 1HB LEU 56 -4.101 -15.196 -3.149 456 2HB LEU 56 2HB LEU 56 -3.322 -14.254 -4.405 457 HG LEU 56 HG LEU 56 -3.665 -13.610 -1.506 458 1HD1 LEU 56 1HD1 LEU 56 -1.280 -12.947 -3.145 459 2HD1 LEU 56 2HD1 LEU 56 -1.598 -14.644 -2.784 460 3HD1 LEU 56 3HD1 LEU 56 -1.390 -13.486 -1.470 461 1HD2 LEU 56 1HD2 LEU 56 -2.720 -11.289 -2.326 462 2HD2 LEU 56 2HD2 LEU 56 -4.454 -11.586 -2.215 463 3HD2 LEU 56 3HD2 LEU 56 -3.639 -11.690 -3.776 464 H SER 57 H SER 57 -6.555 -15.897 -3.983 465 HA SER 57 HA SER 57 -6.138 -16.756 -6.617 466 1HB SER 57 1HB SER 57 -7.050 -18.622 -5.782 467 2HB SER 57 2HB SER 57 -7.439 -17.745 -4.303 468 HG SER 57 HG SER 57 -9.442 -17.946 -4.859 469 H ASP 58 H ASP 58 -8.606 -14.723 -5.200 470 HA ASP 58 HA ASP 58 -10.498 -14.802 -7.265 471 1HB ASP 58 1HB ASP 58 -9.816 -12.663 -5.247 472 2HB ASP 58 2HB ASP 58 -11.160 -12.512 -6.377 473 H TYR 59 H TYR 59 -7.400 -13.331 -7.094 474 HA TYR 59 HA TYR 59 -7.965 -11.673 -9.451 475 1HB TYR 59 1HB TYR 59 -5.735 -11.607 -7.419 476 2HB TYR 59 2HB TYR 59 -5.678 -10.687 -8.919 477 HD1 TYR 59 HD1 TYR 59 -7.636 -9.057 -9.364 478 HD2 TYR 59 HD2 TYR 59 -6.764 -10.705 -5.530 479 HE1 TYR 59 HE1 TYR 59 -8.906 -7.234 -8.298 480 HE2 TYR 59 HE2 TYR 59 -8.032 -8.887 -4.454 481 HH TYR 59 HH TYR 59 -10.018 -6.714 -6.253 482 H ASN 60 H ASN 60 -7.547 -14.629 -9.400 483 HA ASN 60 HA ASN 60 -6.335 -16.261 -10.456 484 1HB ASN 60 1HB ASN 60 -5.664 -15.543 -12.829 485 2HB ASN 60 2HB ASN 60 -7.369 -15.434 -12.403 486 1HD2 ASN 60 1HD2 ASN 60 -4.520 -13.712 -13.257 487 2HD2 ASN 60 2HD2 ASN 60 -5.239 -12.145 -13.375 488 H LEU 61 H LEU 61 -4.782 -14.877 -8.570 489 HA LEU 61 HA LEU 61 -2.276 -14.073 -9.655 490 1HB LEU 61 1HB LEU 61 -3.361 -14.615 -6.943 491 2HB LEU 61 2HB LEU 61 -1.619 -14.643 -7.133 492 HG LEU 61 HG LEU 61 -3.279 -12.301 -8.039 493 1HD1 LEU 61 1HD1 LEU 61 -2.658 -11.222 -5.906 494 2HD1 LEU 61 2HD1 LEU 61 -2.042 -12.772 -5.331 495 3HD1 LEU 61 3HD1 LEU 61 -3.758 -12.584 -5.695 496 1HD2 LEU 61 1HD2 LEU 61 -0.396 -12.428 -7.195 497 2HD2 LEU 61 2HD2 LEU 61 -1.230 -11.112 -8.020 498 3HD2 LEU 61 3HD2 LEU 61 -0.927 -12.631 -8.865 499 H GLN 62 H GLN 62 -0.232 -15.163 -9.366 500 HA GLN 62 HA GLN 62 -0.353 -18.052 -8.970 501 1HB GLN 62 1HB GLN 62 1.041 -16.934 -11.392 502 2HB GLN 62 2HB GLN 62 0.650 -18.611 -11.036 503 1HG GLN 62 1HG GLN 62 -1.638 -18.278 -11.484 504 2HG GLN 62 2HG GLN 62 -1.460 -16.525 -11.480 505 1HE2 GLN 62 1HE2 GLN 62 0.616 -18.904 -13.036 506 2HE2 GLN 62 2HE2 GLN 62 0.320 -18.375 -14.654 507 H LYS 63 H LYS 63 1.625 -19.001 -8.404 508 HA LYS 63 HA LYS 63 3.293 -17.675 -6.727 509 1HB LYS 63 1HB LYS 63 4.997 -19.453 -7.224 510 2HB LYS 63 2HB LYS 63 3.392 -20.056 -6.838 511 1HG LYS 63 1HG LYS 63 3.584 -19.679 -9.658 512 2HG LYS 63 2HG LYS 63 4.971 -20.617 -9.101 513 1HD LYS 63 1HD LYS 63 3.583 -22.374 -9.239 514 2HD LYS 63 2HD LYS 63 2.928 -21.773 -7.713 515 1HE LYS 63 1HE LYS 63 1.036 -20.968 -8.685 516 2HE LYS 63 2HE LYS 63 1.847 -20.593 -10.204 517 1HZ LYS 63 1HZ LYS 63 0.857 -22.408 -10.983 518 2HZ LYS 63 2HZ LYS 63 0.415 -22.949 -9.443 519 3HZ LYS 63 3HZ LYS 63 1.949 -23.310 -10.055 520 H GLU 64 H GLU 64 5.005 -16.337 -6.842 521 HA GLU 64 HA GLU 64 6.658 -15.017 -7.689 522 1HB GLU 64 1HB GLU 64 6.512 -16.463 -10.314 523 2HB GLU 64 2HB GLU 64 7.904 -15.719 -9.541 524 1HG GLU 64 1HG GLU 64 7.139 -17.664 -7.747 525 2HG GLU 64 2HG GLU 64 6.868 -18.417 -9.317 526 H SER 65 H SER 65 5.067 -13.324 -7.621 527 HA SER 65 HA SER 65 4.256 -12.435 -10.310 528 1HB SER 65 1HB SER 65 2.704 -11.719 -7.832 529 2HB SER 65 2HB SER 65 2.184 -11.656 -9.516 530 HG SER 65 HG SER 65 1.878 -13.636 -7.784 531 H THR 66 H THR 66 3.958 -10.060 -10.473 532 HA THR 66 HA THR 66 5.833 -8.633 -8.703 533 HB THR 66 HB THR 66 5.333 -7.937 -11.595 534 HG1 THR 66 HG1 THR 66 7.067 -9.817 -10.465 535 1HG2 THR 66 1HG2 THR 66 7.088 -6.910 -9.488 536 2HG2 THR 66 2HG2 THR 66 6.478 -6.131 -10.948 537 3HG2 THR 66 3HG2 THR 66 7.874 -7.204 -11.038 538 H ILE 67 H ILE 67 4.307 -7.766 -7.335 539 HA ILE 67 HA ILE 67 2.155 -6.162 -8.512 540 HB ILE 67 HB ILE 67 2.604 -6.942 -5.628 541 1HG1 ILE 67 1HG1 ILE 67 0.227 -8.044 -6.762 542 2HG1 ILE 67 2HG1 ILE 67 1.573 -8.428 -7.831 543 1HG2 ILE 67 1HG2 ILE 67 1.023 -5.487 -5.080 544 2HG2 ILE 67 2HG2 ILE 67 -0.085 -6.202 -6.251 545 3HG2 ILE 67 3HG2 ILE 67 1.008 -4.909 -6.746 546 1HD1 ILE 67 1HD1 ILE 67 1.203 -10.183 -6.194 547 2HD1 ILE 67 2HD1 ILE 67 1.445 -9.025 -4.886 548 3HD1 ILE 67 3HD1 ILE 67 2.778 -9.425 -5.969 549 H HIS 68 H HIS 68 2.052 -3.987 -8.332 550 HA HIS 68 HA HIS 68 4.398 -2.640 -7.222 551 1HB HIS 68 1HB HIS 68 2.197 -1.647 -9.043 552 2HB HIS 68 2HB HIS 68 3.532 -0.655 -8.465 553 HD1 HIS 68 HD1 HIS 68 4.889 -0.283 -10.518 554 HD2 HIS 68 HD2 HIS 68 3.828 -4.273 -10.037 555 HE1 HIS 68 HE1 HIS 68 6.115 -1.528 -12.327 556 HE2 HIS 68 HE2 HIS 68 5.525 -3.950 -11.962 557 H LEU 69 H LEU 69 4.318 -1.231 -5.548 558 HA LEU 69 HA LEU 69 1.726 -0.963 -4.182 559 1HB LEU 69 1HB LEU 69 3.818 -2.083 -3.100 560 2HB LEU 69 2HB LEU 69 4.365 -0.433 -2.871 561 HG LEU 69 HG LEU 69 1.621 -1.053 -1.937 562 1HD1 LEU 69 1HD1 LEU 69 2.419 -2.966 -0.977 563 2HD1 LEU 69 2HD1 LEU 69 2.846 -1.795 0.272 564 3HD1 LEU 69 3HD1 LEU 69 4.071 -2.356 -0.867 565 1HD2 LEU 69 1HD2 LEU 69 3.161 1.114 -1.761 566 2HD2 LEU 69 2HD2 LEU 69 3.676 0.293 -0.288 567 3HD2 LEU 69 3HD2 LEU 69 1.974 0.687 -0.528 568 H VAL 70 H VAL 70 0.793 0.948 -4.152 569 HA VAL 70 HA VAL 70 2.462 3.339 -4.576 570 HB VAL 70 HB VAL 70 -0.381 3.671 -5.174 571 1HG1 VAL 70 1HG1 VAL 70 0.484 4.858 -7.088 572 2HG1 VAL 70 2HG1 VAL 70 2.093 4.189 -6.818 573 3HG1 VAL 70 3HG1 VAL 70 1.399 5.316 -5.652 574 1HG2 VAL 70 1HG2 VAL 70 -0.217 1.394 -5.970 575 2HG2 VAL 70 2HG2 VAL 70 1.251 1.782 -6.867 576 3HG2 VAL 70 3HG2 VAL 70 -0.289 2.496 -7.345 577 H LEU 71 H LEU 71 1.987 5.184 -3.390 578 HA LEU 71 HA LEU 71 1.038 4.753 -0.759 579 1HB LEU 71 1HB LEU 71 1.832 7.199 -2.307 580 2HB LEU 71 2HB LEU 71 1.170 7.333 -0.690 581 HG LEU 71 HG LEU 71 3.693 7.362 -0.868 582 1HD1 LEU 71 1HD1 LEU 71 1.989 6.221 1.034 583 2HD1 LEU 71 2HD1 LEU 71 3.640 6.792 1.274 584 3HD1 LEU 71 3HD1 LEU 71 3.341 5.101 0.868 585 1HD2 LEU 71 1HD2 LEU 71 3.803 5.561 -2.586 586 2HD2 LEU 71 2HD2 LEU 71 3.345 4.407 -1.334 587 3HD2 LEU 71 3HD2 LEU 71 4.860 5.301 -1.199 588 H ARG 72 H ARG 72 -0.733 5.849 0.301 589 HA ARG 72 HA ARG 72 -3.004 6.340 -1.513 590 1HB ARG 72 1HB ARG 72 -2.765 4.393 0.479 591 2HB ARG 72 2HB ARG 72 -3.785 5.636 1.189 592 1HG ARG 72 1HG ARG 72 -4.707 5.215 -1.444 593 2HG ARG 72 2HG ARG 72 -4.464 3.629 -0.708 594 1HD ARG 72 1HD ARG 72 -6.498 3.947 0.175 595 2HD ARG 72 2HD ARG 72 -5.667 5.002 1.316 596 HE ARG 72 HE ARG 72 -6.386 6.443 -1.007 597 1HH1 ARG 72 1HH1 ARG 72 -9.084 6.131 1.935 598 2HH1 ARG 72 2HH1 ARG 72 -7.756 5.022 1.863 599 1HH2 ARG 72 1HH2 ARG 72 -8.131 7.910 -0.921 600 2HH2 ARG 72 2HH2 ARG 72 -9.298 7.773 0.351 601 H LEU 73 H LEU 73 -1.884 8.561 -1.326 602 HA LEU 73 HA LEU 73 -3.150 10.016 0.899 603 1HB LEU 73 1HB LEU 73 -0.390 9.816 0.326 604 2HB LEU 73 2HB LEU 73 -0.877 11.440 -0.119 605 HG LEU 73 HG LEU 73 -1.292 10.167 2.589 606 1HD1 LEU 73 1HD1 LEU 73 1.075 10.784 1.887 607 2HD1 LEU 73 2HD1 LEU 73 0.473 11.493 3.385 608 3HD1 LEU 73 3HD1 LEU 73 0.526 12.458 1.910 609 1HD2 LEU 73 1HD2 LEU 73 -1.681 12.751 3.037 610 2HD2 LEU 73 2HD2 LEU 73 -2.993 11.674 2.564 611 3HD2 LEU 73 3HD2 LEU 73 -2.218 12.701 1.358 612 H ARG 74 H ARG 74 -4.940 10.481 -0.428 613 HA ARG 74 HA ARG 74 -6.181 11.771 -1.831 614 1HB ARG 74 1HB ARG 74 -5.079 13.665 -0.828 615 2HB ARG 74 2HB ARG 74 -3.657 13.430 -1.834 616 1HG ARG 74 1HG ARG 74 -4.547 14.535 -3.558 617 2HG ARG 74 2HG ARG 74 -6.128 13.781 -3.351 618 1HD ARG 74 1HD ARG 74 -6.709 15.323 -1.615 619 2HD ARG 74 2HD ARG 74 -5.072 15.979 -1.582 620 HE ARG 74 HE ARG 74 -5.994 16.360 -4.153 621 1HH1 ARG 74 1HH1 ARG 74 -7.636 18.830 -1.462 622 2HH1 ARG 74 2HH1 ARG 74 -6.934 17.334 -0.944 623 1HH2 ARG 74 1HH2 ARG 74 -6.915 18.329 -4.847 624 2HH2 ARG 74 2HH2 ARG 74 -7.626 19.395 -3.682 625 H GLY 75 H GLY 75 -3.247 12.699 -3.506 626 1HA GLY 75 1HA GLY 75 -2.387 11.297 -5.365 627 2HA GLY 75 2HA GLY 75 -4.069 10.963 -5.754 628 H GLY 76 H GLY 76 -4.232 11.824 -7.757 629 1HA GLY 76 1HA GLY 76 -4.912 14.334 -8.322 630 2HA GLY 76 2HA GLY 76 -3.161 14.482 -8.286 Start of MODEL 13 1 1H MET 1 1H MET 1 2.581 -20.924 -1.861 2 2H MET 1 2H MET 1 1.349 -19.780 -2.209 3 3H MET 1 3H MET 1 2.642 -19.362 -1.160 4 HA MET 1 HA MET 1 3.859 -20.184 -3.430 5 1HB MET 1 1HB MET 1 2.752 -18.846 -5.175 6 2HB MET 1 2HB MET 1 1.703 -20.122 -4.574 7 1HG MET 1 1HG MET 1 0.246 -18.672 -3.614 8 2HG MET 1 2HG MET 1 1.485 -17.459 -3.298 9 1HE MET 1 1HE MET 1 -1.780 -17.043 -5.354 10 2HE MET 1 2HE MET 1 -0.977 -15.480 -5.201 11 3HE MET 1 3HE MET 1 -0.996 -16.598 -3.838 12 H GLN 2 H GLN 2 5.425 -18.686 -3.965 13 HA GLN 2 HA GLN 2 5.722 -16.486 -2.108 14 1HB GLN 2 1HB GLN 2 7.478 -18.168 -3.559 15 2HB GLN 2 2HB GLN 2 7.769 -16.526 -4.117 16 1HG GLN 2 1HG GLN 2 8.643 -15.862 -2.148 17 2HG GLN 2 2HG GLN 2 7.572 -16.891 -1.199 18 1HE2 GLN 2 1HE2 GLN 2 9.239 -17.643 0.089 19 2HE2 GLN 2 2HE2 GLN 2 10.428 -18.755 -0.492 20 H LEU 3 H LEU 3 5.631 -14.343 -2.568 21 HA LEU 3 HA LEU 3 4.945 -13.594 -5.334 22 1HB LEU 3 1HB LEU 3 3.836 -12.431 -2.779 23 2HB LEU 3 2HB LEU 3 3.500 -11.826 -4.390 24 HG LEU 3 HG LEU 3 2.825 -14.642 -3.567 25 1HD1 LEU 3 1HD1 LEU 3 0.810 -12.436 -3.618 26 2HD1 LEU 3 2HD1 LEU 3 1.759 -12.739 -2.162 27 3HD1 LEU 3 3HD1 LEU 3 0.732 -14.009 -2.826 28 1HD2 LEU 3 1HD2 LEU 3 1.973 -12.831 -5.816 29 2HD2 LEU 3 2HD2 LEU 3 1.166 -14.349 -5.426 30 3HD2 LEU 3 3HD2 LEU 3 2.857 -14.352 -5.927 31 H PHE 4 H PHE 4 5.777 -11.672 -6.123 32 HA PHE 4 HA PHE 4 7.944 -10.510 -4.506 33 1HB PHE 4 1HB PHE 4 7.595 -10.566 -7.511 34 2HB PHE 4 2HB PHE 4 8.937 -9.805 -6.660 35 HD1 PHE 4 HD1 PHE 4 7.200 -13.120 -6.614 36 HD2 PHE 4 HD2 PHE 4 10.894 -10.989 -6.690 37 HE1 PHE 4 HE1 PHE 4 8.428 -15.257 -6.648 38 HE2 PHE 4 HE2 PHE 4 12.128 -13.123 -6.727 39 HZ PHE 4 HZ PHE 4 10.894 -15.260 -6.705 40 H VAL 5 H VAL 5 7.185 -8.744 -3.507 41 HA VAL 5 HA VAL 5 5.350 -6.954 -4.905 42 HB VAL 5 HB VAL 5 6.352 -6.659 -2.077 43 1HG1 VAL 5 1HG1 VAL 5 4.666 -5.106 -3.763 44 2HG1 VAL 5 2HG1 VAL 5 5.124 -4.811 -2.085 45 3HG1 VAL 5 3HG1 VAL 5 3.690 -5.771 -2.452 46 1HG2 VAL 5 1HG2 VAL 5 3.682 -7.716 -2.266 47 2HG2 VAL 5 2HG2 VAL 5 5.072 -8.337 -1.376 48 3HG2 VAL 5 3HG2 VAL 5 4.831 -8.788 -3.064 49 H LYS 6 H LYS 6 5.886 -4.973 -5.635 50 HA LYS 6 HA LYS 6 8.621 -4.019 -5.089 51 1HB LYS 6 1HB LYS 6 8.819 -3.234 -7.320 52 2HB LYS 6 2HB LYS 6 8.204 -4.877 -7.431 53 1HG LYS 6 1HG LYS 6 6.580 -4.107 -8.720 54 2HG LYS 6 2HG LYS 6 5.939 -3.250 -7.317 55 1HD LYS 6 1HD LYS 6 6.189 -1.522 -8.813 56 2HD LYS 6 2HD LYS 6 7.735 -1.461 -7.964 57 1HE LYS 6 1HE LYS 6 8.800 -1.747 -9.889 58 2HE LYS 6 2HE LYS 6 7.998 -3.303 -10.098 59 1HZ LYS 6 1HZ LYS 6 6.411 -0.966 -10.763 60 2HZ LYS 6 2HZ LYS 6 6.537 -2.452 -11.560 61 3HZ LYS 6 3HZ LYS 6 7.724 -1.269 -11.785 62 H THR 7 H THR 7 8.803 -1.593 -5.688 63 HA THR 7 HA THR 7 6.417 -0.189 -4.678 64 HB THR 7 HB THR 7 7.908 1.383 -3.526 65 HG1 THR 7 HG1 THR 7 9.880 -0.186 -4.752 66 1HG2 THR 7 1HG2 THR 7 9.178 -0.861 -2.334 67 2HG2 THR 7 2HG2 THR 7 7.522 -1.298 -2.752 68 3HG2 THR 7 3HG2 THR 7 7.832 0.105 -1.731 69 H LEU 8 H LEU 8 6.637 2.264 -5.137 70 HA LEU 8 HA LEU 8 6.752 2.578 -7.960 71 1HB LEU 8 1HB LEU 8 5.727 4.020 -5.754 72 2HB LEU 8 2HB LEU 8 6.814 5.103 -6.602 73 HG LEU 8 HG LEU 8 4.616 3.591 -8.004 74 1HD1 LEU 8 1HD1 LEU 8 3.602 4.974 -6.280 75 2HD1 LEU 8 2HD1 LEU 8 3.294 5.646 -7.881 76 3HD1 LEU 8 3HD1 LEU 8 4.520 6.371 -6.841 77 1HD2 LEU 8 1HD2 LEU 8 6.032 4.328 -9.649 78 2HD2 LEU 8 2HD2 LEU 8 6.548 5.740 -8.728 79 3HD2 LEU 8 3HD2 LEU 8 4.959 5.719 -9.494 80 H THR 9 H THR 9 9.105 2.755 -5.518 81 HA THR 9 HA THR 9 10.848 4.549 -7.011 82 HB THR 9 HB THR 9 12.296 4.502 -5.119 83 HG1 THR 9 HG1 THR 9 12.274 2.948 -3.623 84 1HG2 THR 9 1HG2 THR 9 9.567 5.122 -4.780 85 2HG2 THR 9 2HG2 THR 9 10.958 5.759 -3.900 86 3HG2 THR 9 3HG2 THR 9 10.119 4.324 -3.306 87 H GLY 10 H GLY 10 11.015 1.229 -5.713 88 1HA GLY 10 1HA GLY 10 11.876 -0.081 -7.945 89 2HA GLY 10 2HA GLY 10 13.347 0.603 -7.270 90 H LYS 11 H LYS 11 12.678 0.348 -4.528 91 HA LYS 11 HA LYS 11 13.732 -2.019 -3.793 92 1HB LYS 11 1HB LYS 11 12.002 -0.059 -2.498 93 2HB LYS 11 2HB LYS 11 11.804 -1.674 -1.834 94 1HG LYS 11 1HG LYS 11 14.538 -1.395 -2.010 95 2HG LYS 11 2HG LYS 11 13.988 0.211 -1.528 96 1HD LYS 11 1HD LYS 11 12.842 -2.150 -0.129 97 2HD LYS 11 2HD LYS 11 14.496 -1.673 0.256 98 1HE LYS 11 1HE LYS 11 12.426 0.452 0.186 99 2HE LYS 11 2HE LYS 11 12.394 -0.677 1.541 100 1HZ LYS 11 1HZ LYS 11 14.472 0.002 2.259 101 2HZ LYS 11 2HZ LYS 11 13.774 1.457 1.750 102 3HZ LYS 11 3HZ LYS 11 14.902 0.669 0.765 103 H THR 12 H THR 12 13.234 -4.094 -4.017 104 HA THR 12 HA THR 12 10.402 -4.827 -4.368 105 HB THR 12 HB THR 12 12.722 -6.250 -5.674 106 HG1 THR 12 HG1 THR 12 12.136 -3.921 -6.318 107 1HG2 THR 12 1HG2 THR 12 9.773 -6.512 -5.806 108 2HG2 THR 12 2HG2 THR 12 11.028 -7.750 -5.855 109 3HG2 THR 12 3HG2 THR 12 10.704 -6.767 -7.282 110 H LEU 13 H LEU 13 9.701 -6.036 -2.749 111 HA LEU 13 HA LEU 13 11.626 -7.756 -1.333 112 1HB LEU 13 1HB LEU 13 10.327 -7.526 0.632 113 2HB LEU 13 2HB LEU 13 10.516 -5.916 -0.033 114 HG LEU 13 HG LEU 13 8.088 -7.215 -0.980 115 1HD1 LEU 13 1HD1 LEU 13 8.465 -8.176 1.384 116 2HD1 LEU 13 2HD1 LEU 13 6.899 -7.462 0.997 117 3HD1 LEU 13 3HD1 LEU 13 8.078 -6.547 1.937 118 1HD2 LEU 13 1HD2 LEU 13 9.015 -4.610 0.028 119 2HD2 LEU 13 2HD2 LEU 13 7.320 -4.989 0.334 120 3HD2 LEU 13 3HD2 LEU 13 7.942 -4.994 -1.317 121 H THR 14 H THR 14 10.572 -9.720 -0.303 122 HA THR 14 HA THR 14 8.506 -10.849 -2.065 123 HB THR 14 HB THR 14 11.006 -12.249 -1.098 124 HG1 THR 14 HG1 THR 14 11.602 -12.221 -3.223 125 1HG2 THR 14 1HG2 THR 14 10.196 -14.225 -1.714 126 2HG2 THR 14 2HG2 THR 14 9.428 -13.564 -3.156 127 3HG2 THR 14 3HG2 THR 14 8.610 -13.464 -1.598 128 H VAL 15 H VAL 15 7.005 -12.174 -1.108 129 HA VAL 15 HA VAL 15 7.306 -12.742 1.755 130 HB VAL 15 HB VAL 15 4.864 -12.148 2.051 131 1HG1 VAL 15 1HG1 VAL 15 5.730 -10.375 3.064 132 2HG1 VAL 15 2HG1 VAL 15 5.837 -9.533 1.518 133 3HG1 VAL 15 3HG1 VAL 15 7.186 -10.521 2.079 134 1HG2 VAL 15 1HG2 VAL 15 5.336 -11.032 -0.690 135 2HG2 VAL 15 2HG2 VAL 15 4.141 -10.312 0.389 136 3HG2 VAL 15 3HG2 VAL 15 3.985 -12.000 -0.100 137 H GLU 16 H GLU 16 6.133 -14.532 2.508 138 HA GLU 16 HA GLU 16 5.339 -16.388 0.386 139 1HB GLU 16 1HB GLU 16 5.632 -17.155 3.270 140 2HB GLU 16 2HB GLU 16 5.850 -18.145 1.833 141 1HG GLU 16 1HG GLU 16 7.941 -17.142 1.351 142 2HG GLU 16 2HG GLU 16 7.687 -15.882 2.558 143 H LEU 17 H LEU 17 3.246 -16.411 -0.083 144 HA LEU 17 HA LEU 17 1.319 -16.524 2.122 145 1HB LEU 17 1HB LEU 17 1.660 -14.278 0.483 146 2HB LEU 17 2HB LEU 17 0.223 -15.076 -0.124 147 HG LEU 17 HG LEU 17 -0.791 -14.977 2.104 148 1HD1 LEU 17 1HD1 LEU 17 1.688 -13.468 2.919 149 2HD1 LEU 17 2HD1 LEU 17 1.296 -15.119 3.400 150 3HD1 LEU 17 3HD1 LEU 17 0.269 -13.782 3.919 151 1HD2 LEU 17 1HD2 LEU 17 -0.640 -12.340 2.279 152 2HD2 LEU 17 2HD2 LEU 17 -1.496 -13.140 0.960 153 3HD2 LEU 17 3HD2 LEU 17 0.139 -12.529 0.708 154 H GLU 18 H GLU 18 -0.955 -17.027 1.129 155 HA GLU 18 HA GLU 18 -0.583 -19.116 -0.917 156 1HB GLU 18 1HB GLU 18 -2.558 -19.102 1.372 157 2HB GLU 18 2HB GLU 18 -2.381 -20.374 0.171 158 1HG GLU 18 1HG GLU 18 0.094 -19.719 1.573 159 2HG GLU 18 2HG GLU 18 -1.187 -20.326 2.620 160 HA PRO 19 HA PRO 19 -3.634 -17.222 -3.452 161 1HB PRO 19 1HB PRO 19 -5.048 -19.382 -4.350 162 2HB PRO 19 2HB PRO 19 -3.447 -18.942 -4.952 163 1HG PRO 19 1HG PRO 19 -4.207 -20.992 -2.906 164 2HG PRO 19 2HG PRO 19 -3.025 -21.111 -4.223 165 1HD PRO 19 1HD PRO 19 -2.276 -20.652 -1.678 166 2HD PRO 19 2HD PRO 19 -1.416 -19.925 -3.052 167 H SER 20 H SER 20 -4.581 -19.201 -0.790 168 HA SER 20 HA SER 20 -7.390 -18.515 -0.984 169 1HB SER 20 1HB SER 20 -7.757 -20.044 0.727 170 2HB SER 20 2HB SER 20 -6.319 -20.718 -0.041 171 HG SER 20 HG SER 20 -6.492 -20.260 2.427 172 H ASP 21 H ASP 21 -4.541 -17.288 0.492 173 HA ASP 21 HA ASP 21 -5.603 -15.958 2.713 174 1HB ASP 21 1HB ASP 21 -3.194 -15.509 0.983 175 2HB ASP 21 2HB ASP 21 -3.609 -14.341 2.234 176 H THR 22 H THR 22 -5.352 -13.382 2.731 177 HA THR 22 HA THR 22 -6.790 -12.283 0.419 178 HB THR 22 HB THR 22 -8.460 -11.278 1.725 179 HG1 THR 22 HG1 THR 22 -8.322 -11.339 4.057 180 1HG2 THR 22 1HG2 THR 22 -9.188 -13.119 3.407 181 2HG2 THR 22 2HG2 THR 22 -7.889 -14.048 2.658 182 3HG2 THR 22 3HG2 THR 22 -9.219 -13.441 1.673 183 H VAL 23 H VAL 23 -6.857 -9.849 0.501 184 HA VAL 23 HA VAL 23 -4.360 -8.744 0.440 185 HB VAL 23 HB VAL 23 -6.987 -7.390 1.047 186 1HG1 VAL 23 1HG1 VAL 23 -5.491 -5.398 0.057 187 2HG1 VAL 23 2HG1 VAL 23 -4.244 -6.300 0.919 188 3HG1 VAL 23 3HG1 VAL 23 -5.662 -5.710 1.785 189 1HG2 VAL 23 1HG2 VAL 23 -6.909 -8.415 -1.133 190 2HG2 VAL 23 2HG2 VAL 23 -5.347 -7.666 -1.469 191 3HG2 VAL 23 3HG2 VAL 23 -6.790 -6.664 -1.315 192 H GLU 24 H GLU 24 -6.617 -8.724 3.183 193 HA GLU 24 HA GLU 24 -5.327 -7.151 4.986 194 1HB GLU 24 1HB GLU 24 -6.896 -9.679 5.300 195 2HB GLU 24 2HB GLU 24 -6.122 -8.970 6.711 196 1HG GLU 24 1HG GLU 24 -7.435 -7.061 6.633 197 2HG GLU 24 2HG GLU 24 -7.875 -7.315 4.945 198 H ASN 25 H ASN 25 -4.667 -10.605 4.442 199 HA ASN 25 HA ASN 25 -2.547 -10.819 6.271 200 1HB ASN 25 1HB ASN 25 -2.892 -12.417 3.727 201 2HB ASN 25 2HB ASN 25 -2.012 -12.901 5.173 202 1HD2 ASN 25 1HD2 ASN 25 -3.100 -13.751 6.877 203 2HD2 ASN 25 2HD2 ASN 25 -4.794 -14.093 6.861 204 H LEU 26 H LEU 26 -2.463 -10.408 2.729 205 HA LEU 26 HA LEU 26 0.266 -10.222 2.374 206 1HB LEU 26 1HB LEU 26 -1.268 -10.298 0.505 207 2HB LEU 26 2HB LEU 26 -1.935 -8.737 0.942 208 HG LEU 26 HG LEU 26 0.023 -7.590 0.262 209 1HD1 LEU 26 1HD1 LEU 26 1.404 -10.211 -0.250 210 2HD1 LEU 26 2HD1 LEU 26 1.576 -9.313 1.258 211 3HD1 LEU 26 3HD1 LEU 26 2.097 -8.590 -0.264 212 1HD2 LEU 26 1HD2 LEU 26 -1.108 -9.610 -1.558 213 2HD2 LEU 26 2HD2 LEU 26 0.412 -8.879 -2.072 214 3HD2 LEU 26 3HD2 LEU 26 -0.987 -7.860 -1.735 215 H LYS 27 H LYS 27 -1.992 -7.524 2.942 216 HA LYS 27 HA LYS 27 -0.088 -5.488 3.065 217 1HB LYS 27 1HB LYS 27 -2.683 -5.627 4.609 218 2HB LYS 27 2HB LYS 27 -1.785 -4.172 4.201 219 1HG LYS 27 1HG LYS 27 -2.241 -5.460 1.768 220 2HG LYS 27 2HG LYS 27 -3.752 -5.603 2.669 221 1HD LYS 27 1HD LYS 27 -3.518 -3.113 3.146 222 2HD LYS 27 2HD LYS 27 -2.265 -3.105 1.903 223 1HE LYS 27 1HE LYS 27 -3.948 -4.127 0.344 224 2HE LYS 27 2HE LYS 27 -5.169 -3.843 1.585 225 1HZ LYS 27 1HZ LYS 27 -3.558 -1.536 0.921 226 2HZ LYS 27 2HZ LYS 27 -5.231 -1.664 1.137 227 3HZ LYS 27 3HZ LYS 27 -4.534 -2.095 -0.343 228 H ALA 28 H ALA 28 -1.372 -7.593 5.601 229 HA ALA 28 HA ALA 28 -0.271 -6.443 7.847 230 1HB ALA 28 1HB ALA 28 -0.326 -9.419 7.416 231 2HB ALA 28 2HB ALA 28 -1.785 -8.471 7.704 232 3HB ALA 28 3HB ALA 28 -0.515 -8.527 8.925 233 H LYS 29 H LYS 29 1.258 -8.632 5.525 234 HA LYS 29 HA LYS 29 3.719 -8.876 6.906 235 1HB LYS 29 1HB LYS 29 3.257 -9.145 3.932 236 2HB LYS 29 2HB LYS 29 4.580 -9.834 4.863 237 1HG LYS 29 1HG LYS 29 1.701 -10.648 4.805 238 2HG LYS 29 2HG LYS 29 3.140 -11.625 4.506 239 1HD LYS 29 1HD LYS 29 3.757 -11.438 6.868 240 2HD LYS 29 2HD LYS 29 2.315 -10.464 7.166 241 1HE LYS 29 1HE LYS 29 0.882 -12.301 6.619 242 2HE LYS 29 2HE LYS 29 2.250 -13.270 6.073 243 1HZ LYS 29 1HZ LYS 29 2.964 -13.630 8.217 244 2HZ LYS 29 2HZ LYS 29 1.285 -13.663 8.412 245 3HZ LYS 29 3HZ LYS 29 2.158 -12.281 8.845 246 H ILE 30 H ILE 30 2.660 -6.791 4.232 247 HA ILE 30 HA ILE 30 5.099 -5.452 3.848 248 HB ILE 30 HB ILE 30 2.361 -4.264 3.406 249 1HG1 ILE 30 1HG1 ILE 30 3.963 -6.193 1.725 250 2HG1 ILE 30 2HG1 ILE 30 2.315 -6.383 2.315 251 1HG2 ILE 30 1HG2 ILE 30 3.351 -2.687 2.110 252 2HG2 ILE 30 2HG2 ILE 30 4.652 -3.763 1.600 253 3HG2 ILE 30 3HG2 ILE 30 4.703 -3.010 3.194 254 1HD1 ILE 30 1HD1 ILE 30 2.271 -5.899 -0.029 255 2HD1 ILE 30 2HD1 ILE 30 3.265 -4.461 0.208 256 3HD1 ILE 30 3HD1 ILE 30 1.625 -4.516 0.853 257 H GLN 31 H GLN 31 2.801 -5.249 6.367 258 HA GLN 31 HA GLN 31 3.606 -2.576 7.187 259 1HB GLN 31 1HB GLN 31 1.231 -3.420 7.369 260 2HB GLN 31 2HB GLN 31 1.786 -4.489 8.650 261 1HG GLN 31 1HG GLN 31 2.491 -2.554 9.961 262 2HG GLN 31 2HG GLN 31 1.932 -1.483 8.677 263 1HE2 GLN 31 1HE2 GLN 31 0.447 -0.451 9.982 264 2HE2 GLN 31 2HE2 GLN 31 -1.004 -1.213 10.526 265 H ASP 32 H ASP 32 4.303 -5.888 7.908 266 HA ASP 32 HA ASP 32 5.645 -5.243 10.403 267 1HB ASP 32 1HB ASP 32 4.420 -7.542 9.363 268 2HB ASP 32 2HB ASP 32 6.133 -7.919 9.493 269 H LYS 33 H LYS 33 6.451 -6.369 7.148 270 HA LYS 33 HA LYS 33 9.262 -6.508 7.658 271 1HB LYS 33 1HB LYS 33 7.451 -7.050 5.440 272 2HB LYS 33 2HB LYS 33 8.949 -6.299 4.910 273 1HG LYS 33 1HG LYS 33 8.942 -8.678 6.733 274 2HG LYS 33 2HG LYS 33 8.851 -8.846 4.978 275 1HD LYS 33 1HD LYS 33 11.014 -7.287 6.382 276 2HD LYS 33 2HD LYS 33 11.164 -8.998 5.973 277 1HE LYS 33 1HE LYS 33 10.367 -7.979 3.597 278 2HE LYS 33 2HE LYS 33 11.278 -6.616 4.247 279 1HZ LYS 33 1HZ LYS 33 12.716 -9.005 4.665 280 2HZ LYS 33 2HZ LYS 33 13.158 -7.647 3.759 281 3HZ LYS 33 3HZ LYS 33 12.282 -8.899 3.033 282 H GLU 34 H GLU 34 7.242 -4.293 5.728 283 HA GLU 34 HA GLU 34 9.446 -2.390 5.595 284 1HB GLU 34 1HB GLU 34 7.074 -2.952 4.016 285 2HB GLU 34 2HB GLU 34 7.216 -1.238 4.380 286 1HG GLU 34 1HG GLU 34 9.306 -2.955 3.062 287 2HG GLU 34 2HG GLU 34 8.275 -1.765 2.269 288 H GLY 35 H GLY 35 5.957 -2.124 6.323 289 1HA GLY 35 1HA GLY 35 5.471 -1.286 8.647 290 2HA GLY 35 2HA GLY 35 6.655 -0.038 8.295 291 H ILE 36 H ILE 36 4.378 -1.206 5.910 292 HA ILE 36 HA ILE 36 3.179 1.470 5.839 293 HB ILE 36 HB ILE 36 2.705 -0.653 3.772 294 1HG1 ILE 36 1HG1 ILE 36 5.007 1.306 3.740 295 2HG1 ILE 36 2HG1 ILE 36 5.174 -0.393 4.171 296 1HG2 ILE 36 1HG2 ILE 36 2.438 2.307 3.963 297 2HG2 ILE 36 2HG2 ILE 36 1.314 1.112 3.316 298 3HG2 ILE 36 3HG2 ILE 36 2.741 1.573 2.387 299 1HD1 ILE 36 1HD1 ILE 36 5.701 -0.590 1.999 300 2HD1 ILE 36 2HD1 ILE 36 4.822 0.868 1.540 301 3HD1 ILE 36 3HD1 ILE 36 3.949 -0.643 1.800 302 HA PRO 37 HA PRO 37 -0.523 -0.287 7.563 303 1HB PRO 37 1HB PRO 37 -2.009 1.943 7.585 304 2HB PRO 37 2HB PRO 37 -0.634 1.738 8.676 305 1HG PRO 37 1HG PRO 37 -0.832 3.299 6.137 306 2HG PRO 37 2HG PRO 37 0.000 3.713 7.645 307 1HD PRO 37 1HD PRO 37 1.224 2.682 5.391 308 2HD PRO 37 2HD PRO 37 1.889 2.595 7.033 309 HA PRO 38 HA PRO 38 -2.967 -1.456 4.064 310 1HB PRO 38 1HB PRO 38 -5.217 -1.576 5.991 311 2HB PRO 38 2HB PRO 38 -4.568 -2.837 4.939 312 1HG PRO 38 1HG PRO 38 -4.122 -2.877 7.571 313 2HG PRO 38 2HG PRO 38 -2.871 -3.382 6.419 314 1HD PRO 38 1HD PRO 38 -3.128 -0.818 7.940 315 2HD PRO 38 2HD PRO 38 -1.674 -1.766 7.564 316 H ASP 39 H ASP 39 -3.989 1.080 6.250 317 HA ASP 39 HA ASP 39 -6.130 2.042 4.628 318 1HB ASP 39 1HB ASP 39 -6.361 3.767 6.199 319 2HB ASP 39 2HB ASP 39 -5.743 2.418 7.149 320 H GLN 40 H GLN 40 -2.812 2.155 4.247 321 HA GLN 40 HA GLN 40 -3.054 4.424 2.392 322 1HB GLN 40 1HB GLN 40 -0.579 3.828 4.013 323 2HB GLN 40 2HB GLN 40 -0.869 5.220 2.980 324 1HG GLN 40 1HG GLN 40 -2.799 5.765 4.559 325 2HG GLN 40 2HG GLN 40 -2.066 4.592 5.652 326 1HE2 GLN 40 1HE2 GLN 40 -1.589 7.629 3.977 327 2HE2 GLN 40 2HE2 GLN 40 -0.341 8.225 5.013 328 H GLN 41 H GLN 41 -2.739 1.241 2.524 329 HA GLN 41 HA GLN 41 -0.531 0.937 0.654 330 1HB GLN 41 1HB GLN 41 -2.116 -0.843 2.381 331 2HB GLN 41 2HB GLN 41 -1.689 -1.533 0.820 332 1HG GLN 41 1HG GLN 41 0.684 -0.960 1.290 333 2HG GLN 41 2HG GLN 41 0.191 -0.456 2.907 334 1HE2 GLN 41 1HE2 GLN 41 0.269 -1.929 4.444 335 2HE2 GLN 41 2HE2 GLN 41 0.316 -3.640 4.210 336 H ARG 42 H ARG 42 -0.744 0.796 -1.488 337 HA ARG 42 HA ARG 42 -3.427 0.304 -2.598 338 1HB ARG 42 1HB ARG 42 -1.767 2.639 -2.880 339 2HB ARG 42 2HB ARG 42 -1.993 1.879 -4.449 340 1HG ARG 42 1HG ARG 42 -4.520 1.880 -3.263 341 2HG ARG 42 2HG ARG 42 -3.824 3.461 -2.901 342 1HD ARG 42 1HD ARG 42 -3.746 4.085 -5.091 343 2HD ARG 42 2HD ARG 42 -3.529 2.432 -5.667 344 HE ARG 42 HE ARG 42 -5.792 2.277 -5.902 345 1HH1 ARG 42 1HH1 ARG 42 -6.724 5.420 -3.603 346 2HH1 ARG 42 2HH1 ARG 42 -5.078 4.895 -3.720 347 1HH2 ARG 42 1HH2 ARG 42 -7.964 2.960 -5.757 348 2HH2 ARG 42 2HH2 ARG 42 -8.366 4.318 -4.762 349 H LEU 43 H LEU 43 -3.225 -1.734 -3.335 350 HA LEU 43 HA LEU 43 -0.800 -2.562 -4.712 351 1HB LEU 43 1HB LEU 43 -3.310 -4.074 -3.989 352 2HB LEU 43 2HB LEU 43 -1.926 -4.784 -4.799 353 HG LEU 43 HG LEU 43 -1.626 -3.453 -2.124 354 1HD1 LEU 43 1HD1 LEU 43 -2.560 -6.250 -2.707 355 2HD1 LEU 43 2HD1 LEU 43 -3.327 -5.033 -1.687 356 3HD1 LEU 43 3HD1 LEU 43 -1.814 -5.783 -1.178 357 1HD2 LEU 43 1HD2 LEU 43 0.316 -4.125 -3.666 358 2HD2 LEU 43 2HD2 LEU 43 -0.100 -5.782 -3.232 359 3HD2 LEU 43 3HD2 LEU 43 0.376 -4.637 -1.980 360 H ILE 44 H ILE 44 -0.625 -1.982 -6.776 361 HA ILE 44 HA ILE 44 -3.024 -2.113 -8.482 362 HB ILE 44 HB ILE 44 -0.502 -0.503 -8.901 363 1HG1 ILE 44 1HG1 ILE 44 -1.870 0.430 -7.120 364 2HG1 ILE 44 2HG1 ILE 44 -1.995 1.446 -8.553 365 1HG2 ILE 44 1HG2 ILE 44 -2.521 -1.368 -10.731 366 2HG2 ILE 44 2HG2 ILE 44 -1.083 -0.394 -11.038 367 3HG2 ILE 44 3HG2 ILE 44 -2.591 0.387 -10.562 368 1HD1 ILE 44 1HD1 ILE 44 -4.025 -0.577 -7.639 369 2HD1 ILE 44 2HD1 ILE 44 -4.149 0.428 -9.083 370 3HD1 ILE 44 3HD1 ILE 44 -4.150 1.175 -7.486 371 H PHE 45 H PHE 45 -2.593 -4.445 -8.641 372 HA PHE 45 HA PHE 45 -0.230 -5.424 -9.877 373 1HB PHE 45 1HB PHE 45 -1.607 -6.885 -8.509 374 2HB PHE 45 2HB PHE 45 -2.974 -6.663 -9.596 375 HD1 PHE 45 HD1 PHE 45 0.304 -6.955 -11.096 376 HD2 PHE 45 HD2 PHE 45 -3.110 -9.131 -9.756 377 HE1 PHE 45 HE1 PHE 45 1.036 -8.907 -12.413 378 HE2 PHE 45 HE2 PHE 45 -2.384 -11.087 -11.069 379 HZ PHE 45 HZ PHE 45 -0.309 -10.975 -12.400 380 H ALA 46 H ALA 46 0.200 -4.367 -11.781 381 HA ALA 46 HA ALA 46 0.045 -3.789 -13.980 382 1HB ALA 46 1HB ALA 46 -0.039 -5.632 -15.231 383 2HB ALA 46 2HB ALA 46 -1.725 -5.933 -14.808 384 3HB ALA 46 3HB ALA 46 -0.434 -6.503 -13.749 385 H GLY 47 H GLY 47 -2.146 -2.935 -12.084 386 1HA GLY 47 1HA GLY 47 -3.666 -1.176 -12.852 387 2HA GLY 47 2HA GLY 47 -4.121 -2.246 -14.167 388 H LYS 48 H LYS 48 -3.829 -4.280 -11.682 389 HA LYS 48 HA LYS 48 -6.697 -4.209 -11.135 390 1HB LYS 48 1HB LYS 48 -4.556 -6.287 -10.887 391 2HB LYS 48 2HB LYS 48 -6.031 -6.452 -9.946 392 1HG LYS 48 1HG LYS 48 -6.405 -5.879 -12.808 393 2HG LYS 48 2HG LYS 48 -5.703 -7.451 -12.420 394 1HD LYS 48 1HD LYS 48 -7.579 -7.914 -10.915 395 2HD LYS 48 2HD LYS 48 -8.278 -6.340 -11.302 396 1HE LYS 48 1HE LYS 48 -8.741 -6.969 -13.516 397 2HE LYS 48 2HE LYS 48 -7.671 -8.368 -13.431 398 1HZ LYS 48 1HZ LYS 48 -9.262 -9.625 -12.514 399 2HZ LYS 48 2HZ LYS 48 -10.333 -8.470 -13.130 400 3HZ LYS 48 3HZ LYS 48 -9.836 -8.385 -11.516 401 H GLN 49 H GLN 49 -7.275 -2.972 -9.471 402 HA GLN 49 HA GLN 49 -5.504 -2.523 -7.233 403 1HB GLN 49 1HB GLN 49 -7.217 -0.879 -8.365 404 2HB GLN 49 2HB GLN 49 -8.361 -1.634 -7.264 405 1HG GLN 49 1HG GLN 49 -6.083 0.168 -6.697 406 2HG GLN 49 2HG GLN 49 -7.693 0.114 -5.983 407 1HE2 GLN 49 1HE2 GLN 49 -8.113 -1.339 -4.310 408 2HE2 GLN 49 2HE2 GLN 49 -6.844 -2.078 -3.401 409 H LEU 50 H LEU 50 -5.320 -4.028 -5.709 410 HA LEU 50 HA LEU 50 -7.357 -5.972 -5.197 411 1HB LEU 50 1HB LEU 50 -4.917 -5.356 -3.532 412 2HB LEU 50 2HB LEU 50 -5.863 -6.832 -3.508 413 HG LEU 50 HG LEU 50 -4.116 -5.855 -5.766 414 1HD1 LEU 50 1HD1 LEU 50 -3.701 -7.600 -3.486 415 2HD1 LEU 50 2HD1 LEU 50 -2.531 -6.904 -4.607 416 3HD1 LEU 50 3HD1 LEU 50 -3.363 -8.404 -5.019 417 1HD2 LEU 50 1HD2 LEU 50 -5.549 -8.487 -5.687 418 2HD2 LEU 50 2HD2 LEU 50 -4.800 -7.670 -7.059 419 3HD2 LEU 50 3HD2 LEU 50 -6.306 -7.053 -6.380 420 H GLU 51 H GLU 51 -9.018 -5.837 -3.841 421 HA GLU 51 HA GLU 51 -9.095 -3.584 -1.957 422 1HB GLU 51 1HB GLU 51 -11.497 -5.241 -2.615 423 2HB GLU 51 2HB GLU 51 -11.404 -3.545 -2.160 424 1HG GLU 51 1HG GLU 51 -10.382 -3.068 -4.370 425 2HG GLU 51 2HG GLU 51 -10.659 -4.752 -4.813 426 H ASP 52 H ASP 52 -9.445 -3.876 0.202 427 HA ASP 52 HA ASP 52 -8.577 -6.195 1.441 428 1HB ASP 52 1HB ASP 52 -10.530 -4.381 2.813 429 2HB ASP 52 2HB ASP 52 -9.087 -5.156 3.453 430 H GLY 53 H GLY 53 -9.521 -8.040 2.123 431 1HA GLY 53 1HA GLY 53 -11.420 -9.283 2.919 432 2HA GLY 53 2HA GLY 53 -12.453 -8.247 1.946 433 H ARG 54 H ARG 54 -10.340 -8.557 -0.263 434 HA ARG 54 HA ARG 54 -11.557 -10.935 -1.415 435 1HB ARG 54 1HB ARG 54 -9.599 -9.057 -2.734 436 2HB ARG 54 2HB ARG 54 -10.704 -10.179 -3.516 437 1HG ARG 54 1HG ARG 54 -12.116 -8.309 -1.825 438 2HG ARG 54 2HG ARG 54 -11.128 -7.485 -3.034 439 1HD ARG 54 1HD ARG 54 -13.145 -7.809 -4.137 440 2HD ARG 54 2HD ARG 54 -12.161 -9.159 -4.698 441 HE ARG 54 HE ARG 54 -13.413 -10.280 -2.643 442 1HH1 ARG 54 1HH1 ARG 54 -16.222 -8.943 -5.164 443 2HH1 ARG 54 2HH1 ARG 54 -14.642 -8.234 -5.181 444 1HH2 ARG 54 1HH2 ARG 54 -15.490 -11.221 -2.615 445 2HH2 ARG 54 2HH2 ARG 54 -16.705 -10.641 -3.706 446 H THR 55 H THR 55 -10.442 -12.735 -2.119 447 HA THR 55 HA THR 55 -7.887 -13.187 -0.798 448 HB THR 55 HB THR 55 -8.240 -15.553 -1.499 449 HG1 THR 55 HG1 THR 55 -10.306 -16.055 -2.373 450 1HG2 THR 55 1HG2 THR 55 -10.290 -14.124 0.114 451 2HG2 THR 55 2HG2 THR 55 -9.073 -15.297 0.616 452 3HG2 THR 55 3HG2 THR 55 -10.509 -15.834 -0.256 453 H LEU 56 H LEU 56 -5.990 -13.722 -1.834 454 HA LEU 56 HA LEU 56 -5.257 -12.492 -4.134 455 1HB LEU 56 1HB LEU 56 -4.175 -15.200 -3.384 456 2HB LEU 56 2HB LEU 56 -3.340 -13.908 -4.227 457 HG LEU 56 HG LEU 56 -4.130 -13.962 -1.317 458 1HD1 LEU 56 1HD1 LEU 56 -1.415 -13.356 -1.714 459 2HD1 LEU 56 2HD1 LEU 56 -1.782 -14.728 -2.759 460 3HD1 LEU 56 3HD1 LEU 56 -2.111 -14.825 -1.028 461 1HD2 LEU 56 1HD2 LEU 56 -2.643 -11.757 -1.509 462 2HD2 LEU 56 2HD2 LEU 56 -4.401 -11.736 -1.662 463 3HD2 LEU 56 3HD2 LEU 56 -3.390 -11.724 -3.107 464 H SER 57 H SER 57 -6.514 -15.802 -3.883 465 HA SER 57 HA SER 57 -6.286 -16.564 -6.538 466 1HB SER 57 1HB SER 57 -7.157 -18.422 -5.643 467 2HB SER 57 2HB SER 57 -7.622 -17.528 -4.196 468 HG SER 57 HG SER 57 -9.578 -17.034 -5.158 469 H ASP 58 H ASP 58 -8.924 -14.821 -4.935 470 HA ASP 58 HA ASP 58 -10.815 -14.710 -6.893 471 1HB ASP 58 1HB ASP 58 -9.918 -12.548 -4.989 472 2HB ASP 58 2HB ASP 58 -11.336 -12.380 -6.020 473 H TYR 59 H TYR 59 -7.825 -12.858 -6.728 474 HA TYR 59 HA TYR 59 -8.468 -11.440 -9.187 475 1HB TYR 59 1HB TYR 59 -6.170 -11.279 -7.242 476 2HB TYR 59 2HB TYR 59 -6.154 -10.424 -8.780 477 HD1 TYR 59 HD1 TYR 59 -7.241 -10.355 -5.371 478 HD2 TYR 59 HD2 TYR 59 -8.049 -8.768 -9.243 479 HE1 TYR 59 HE1 TYR 59 -8.493 -8.500 -4.342 480 HE2 TYR 59 HE2 TYR 59 -9.303 -6.908 -8.227 481 HH TYR 59 HH TYR 59 -9.184 -5.735 -5.761 482 H ASN 60 H ASN 60 -7.968 -14.394 -9.048 483 HA ASN 60 HA ASN 60 -6.694 -16.026 -10.054 484 1HB ASN 60 1HB ASN 60 -6.374 -15.470 -12.543 485 2HB ASN 60 2HB ASN 60 -8.019 -15.473 -11.917 486 1HD2 ASN 60 1HD2 ASN 60 -5.734 -13.751 -13.632 487 2HD2 ASN 60 2HD2 ASN 60 -6.512 -12.210 -13.635 488 H LEU 61 H LEU 61 -4.874 -15.388 -8.558 489 HA LEU 61 HA LEU 61 -2.651 -14.056 -9.902 490 1HB LEU 61 1HB LEU 61 -3.270 -14.819 -7.087 491 2HB LEU 61 2HB LEU 61 -1.589 -14.646 -7.552 492 HG LEU 61 HG LEU 61 -2.862 -12.621 -6.526 493 1HD1 LEU 61 1HD1 LEU 61 -1.182 -12.371 -9.017 494 2HD1 LEU 61 2HD1 LEU 61 -0.590 -12.507 -7.361 495 3HD1 LEU 61 3HD1 LEU 61 -1.495 -11.078 -7.859 496 1HD2 LEU 61 1HD2 LEU 61 -4.029 -11.226 -8.067 497 2HD2 LEU 61 2HD2 LEU 61 -4.755 -12.831 -8.147 498 3HD2 LEU 61 3HD2 LEU 61 -3.650 -12.300 -9.414 499 H GLN 62 H GLN 62 -0.460 -15.060 -9.663 500 HA GLN 62 HA GLN 62 -0.575 -17.993 -9.838 501 1HB GLN 62 1HB GLN 62 0.577 -16.042 -11.795 502 2HB GLN 62 2HB GLN 62 1.319 -17.626 -11.619 503 1HG GLN 62 1HG GLN 62 -0.182 -18.451 -13.009 504 2HG GLN 62 2HG GLN 62 -1.445 -18.066 -11.841 505 1HE2 GLN 62 1HE2 GLN 62 -0.853 -17.838 -14.935 506 2HE2 GLN 62 2HE2 GLN 62 -1.581 -16.320 -15.323 507 H LYS 63 H LYS 63 1.719 -18.934 -9.783 508 HA LYS 63 HA LYS 63 2.945 -18.121 -7.369 509 1HB LYS 63 1HB LYS 63 2.915 -20.441 -8.595 510 2HB LYS 63 2HB LYS 63 4.374 -19.832 -9.367 511 1HG LYS 63 1HG LYS 63 5.539 -19.724 -7.341 512 2HG LYS 63 2HG LYS 63 4.060 -19.844 -6.386 513 1HD LYS 63 1HD LYS 63 4.105 -22.075 -6.421 514 2HD LYS 63 2HD LYS 63 4.412 -22.116 -8.159 515 1HE LYS 63 1HE LYS 63 6.787 -21.199 -7.017 516 2HE LYS 63 2HE LYS 63 6.239 -22.498 -5.957 517 1HZ LYS 63 1HZ LYS 63 7.300 -22.637 -8.618 518 2HZ LYS 63 2HZ LYS 63 5.860 -23.508 -8.447 519 3HZ LYS 63 3HZ LYS 63 7.177 -23.846 -7.441 520 H GLU 64 H GLU 64 4.403 -16.592 -7.000 521 HA GLU 64 HA GLU 64 6.096 -15.096 -7.288 522 1HB GLU 64 1HB GLU 64 6.735 -16.270 -9.973 523 2HB GLU 64 2HB GLU 64 7.823 -15.551 -8.794 524 1HG GLU 64 1HG GLU 64 7.230 -17.543 -7.307 525 2HG GLU 64 2HG GLU 64 6.566 -18.268 -8.770 526 H SER 65 H SER 65 4.137 -13.700 -7.558 527 HA SER 65 HA SER 65 3.859 -12.662 -10.290 528 1HB SER 65 1HB SER 65 2.112 -12.081 -7.888 529 2HB SER 65 2HB SER 65 1.773 -11.673 -9.570 530 HG SER 65 HG SER 65 2.276 -14.311 -9.305 531 H THR 66 H THR 66 3.730 -10.327 -10.581 532 HA THR 66 HA THR 66 5.491 -8.910 -8.693 533 HB THR 66 HB THR 66 5.066 -8.445 -11.651 534 HG1 THR 66 HG1 THR 66 6.374 -10.244 -11.166 535 1HG2 THR 66 1HG2 THR 66 7.053 -7.089 -9.851 536 2HG2 THR 66 2HG2 THR 66 5.550 -6.354 -10.407 537 3HG2 THR 66 3HG2 THR 66 6.795 -6.806 -11.572 538 H ILE 67 H ILE 67 4.022 -7.980 -7.331 539 HA ILE 67 HA ILE 67 1.813 -6.443 -8.477 540 HB ILE 67 HB ILE 67 2.433 -7.077 -5.590 541 1HG1 ILE 67 1HG1 ILE 67 -0.012 -8.190 -6.688 542 2HG1 ILE 67 2HG1 ILE 67 1.397 -8.729 -7.596 543 1HG2 ILE 67 1HG2 ILE 67 0.660 -5.168 -6.787 544 2HG2 ILE 67 2HG2 ILE 67 0.983 -5.476 -5.081 545 3HG2 ILE 67 3HG2 ILE 67 -0.266 -6.395 -5.921 546 1HD1 ILE 67 1HD1 ILE 67 1.274 -10.350 -6.002 547 2HD1 ILE 67 2HD1 ILE 67 0.646 -9.251 -4.773 548 3HD1 ILE 67 3HD1 ILE 67 2.355 -9.206 -5.204 549 H HIS 68 H HIS 68 1.759 -4.280 -8.530 550 HA HIS 68 HA HIS 68 4.115 -2.833 -7.616 551 1HB HIS 68 1HB HIS 68 1.815 -1.550 -9.049 552 2HB HIS 68 2HB HIS 68 3.526 -1.142 -9.106 553 HD1 HIS 68 HD1 HIS 68 2.233 -1.378 -11.756 554 HD2 HIS 68 HD2 HIS 68 3.799 -4.683 -9.782 555 HE1 HIS 68 HE1 HIS 68 2.671 -3.087 -13.548 556 HE2 HIS 68 HE2 HIS 68 3.540 -5.107 -12.321 557 H LEU 69 H LEU 69 3.971 -2.479 -5.459 558 HA LEU 69 HA LEU 69 1.483 -1.567 -4.276 559 1HB LEU 69 1HB LEU 69 2.930 -3.188 -3.101 560 2HB LEU 69 2HB LEU 69 4.197 -1.980 -3.020 561 HG LEU 69 HG LEU 69 2.440 -0.554 -1.749 562 1HD1 LEU 69 1HD1 LEU 69 0.680 -2.390 -2.370 563 2HD1 LEU 69 2HD1 LEU 69 0.619 -1.579 -0.806 564 3HD1 LEU 69 3HD1 LEU 69 1.321 -3.192 -0.935 565 1HD2 LEU 69 1HD2 LEU 69 4.333 -1.226 -0.568 566 2HD2 LEU 69 2HD2 LEU 69 3.914 -2.935 -0.682 567 3HD2 LEU 69 3HD2 LEU 69 2.994 -1.870 0.382 568 H VAL 70 H VAL 70 0.935 0.491 -4.379 569 HA VAL 70 HA VAL 70 3.065 2.522 -4.232 570 HB VAL 70 HB VAL 70 1.569 4.030 -5.490 571 1HG1 VAL 70 1HG1 VAL 70 2.391 3.326 -7.466 572 2HG1 VAL 70 2HG1 VAL 70 1.704 1.710 -7.294 573 3HG1 VAL 70 3HG1 VAL 70 3.209 2.121 -6.472 574 1HG2 VAL 70 1HG2 VAL 70 -0.589 3.192 -4.999 575 2HG2 VAL 70 2HG2 VAL 70 -0.182 1.588 -5.610 576 3HG2 VAL 70 3HG2 VAL 70 -0.345 2.943 -6.727 577 H LEU 71 H LEU 71 2.653 4.404 -3.038 578 HA LEU 71 HA LEU 71 0.976 3.992 -0.739 579 1HB LEU 71 1HB LEU 71 2.818 6.211 -1.597 580 2HB LEU 71 2HB LEU 71 1.835 6.328 -0.151 581 HG LEU 71 HG LEU 71 4.162 5.624 0.308 582 1HD1 LEU 71 1HD1 LEU 71 3.245 3.267 1.339 583 2HD1 LEU 71 2HD1 LEU 71 1.752 4.175 1.098 584 3HD1 LEU 71 3HD1 LEU 71 3.046 4.854 2.085 585 1HD2 LEU 71 1HD2 LEU 71 5.109 3.690 -0.507 586 2HD2 LEU 71 2HD2 LEU 71 4.187 4.248 -1.903 587 3HD2 LEU 71 3HD2 LEU 71 3.550 2.957 -0.883 588 H ARG 72 H ARG 72 -0.740 5.321 -0.052 589 HA ARG 72 HA ARG 72 -2.185 6.590 -2.269 590 1HB ARG 72 1HB ARG 72 -3.376 4.796 -1.117 591 2HB ARG 72 2HB ARG 72 -3.168 5.621 0.421 592 1HG ARG 72 1HG ARG 72 -4.643 7.359 -0.202 593 2HG ARG 72 2HG ARG 72 -4.652 6.839 -1.890 594 1HD ARG 72 1HD ARG 72 -6.667 6.017 -1.100 595 2HD ARG 72 2HD ARG 72 -5.599 4.622 -0.948 596 HE ARG 72 HE ARG 72 -5.452 5.912 1.469 597 1HH1 ARG 72 1HH1 ARG 72 -8.968 4.088 0.885 598 2HH1 ARG 72 2HH1 ARG 72 -7.981 4.513 -0.473 599 1HH2 ARG 72 1HH2 ARG 72 -6.744 5.358 3.267 600 2HH2 ARG 72 2HH2 ARG 72 -8.265 4.570 3.012 601 H LEU 73 H LEU 73 -3.374 8.575 -1.846 602 HA LEU 73 HA LEU 73 -1.994 10.271 0.123 603 1HB LEU 73 1HB LEU 73 -2.998 10.808 -2.638 604 2HB LEU 73 2HB LEU 73 -2.922 12.126 -1.484 605 HG LEU 73 HG LEU 73 -0.589 12.061 -1.370 606 1HD1 LEU 73 1HD1 LEU 73 -0.379 9.654 -0.983 607 2HD1 LEU 73 2HD1 LEU 73 0.784 10.226 -2.179 608 3HD1 LEU 73 3HD1 LEU 73 -0.660 9.356 -2.698 609 1HD2 LEU 73 1HD2 LEU 73 0.004 11.545 -3.953 610 2HD2 LEU 73 2HD2 LEU 73 -0.737 13.043 -3.388 611 3HD2 LEU 73 3HD2 LEU 73 -1.743 11.758 -4.058 612 H ARG 74 H ARG 74 -5.038 9.211 -1.118 613 HA ARG 74 HA ARG 74 -6.586 9.502 1.049 614 1HB ARG 74 1HB ARG 74 -7.763 11.732 0.640 615 2HB ARG 74 2HB ARG 74 -6.171 11.795 1.382 616 1HG ARG 74 1HG ARG 74 -5.403 12.064 -1.132 617 2HG ARG 74 2HG ARG 74 -7.051 12.669 -1.313 618 1HD ARG 74 1HD ARG 74 -5.931 14.607 -0.801 619 2HD ARG 74 2HD ARG 74 -6.441 14.083 0.803 620 HE ARG 74 HE ARG 74 -3.998 12.963 0.551 621 1HH1 ARG 74 1HH1 ARG 74 -3.690 16.955 0.534 622 2HH1 ARG 74 2HH1 ARG 74 -5.187 16.204 0.088 623 1HH2 ARG 74 1HH2 ARG 74 -2.024 13.942 1.140 624 2HH2 ARG 74 2HH2 ARG 74 -1.893 15.669 1.132 625 H GLY 75 H GLY 75 -6.403 10.116 -2.392 626 1HA GLY 75 1HA GLY 75 -7.671 8.880 -3.972 627 2HA GLY 75 2HA GLY 75 -8.883 8.589 -2.732 628 H GLY 76 H GLY 76 -9.992 9.275 -4.959 629 1HA GLY 76 1HA GLY 76 -11.167 11.829 -4.418 630 2HA GLY 76 2HA GLY 76 -10.136 11.870 -5.840 Start of MODEL 14 1 1H MET 1 1H MET 1 4.625 -19.693 -1.395 2 2H MET 1 2H MET 1 3.866 -20.974 -2.248 3 3H MET 1 3H MET 1 2.956 -20.006 -1.161 4 HA MET 1 HA MET 1 3.579 -19.603 -3.886 5 1HB MET 1 1HB MET 1 1.427 -19.456 -2.256 6 2HB MET 1 2HB MET 1 1.865 -17.756 -2.328 7 1HG MET 1 1HG MET 1 1.953 -18.795 -4.956 8 2HG MET 1 2HG MET 1 0.441 -19.311 -4.216 9 1HE MET 1 1HE MET 1 -1.675 -16.263 -3.925 10 2HE MET 1 2HE MET 1 -0.980 -17.268 -2.653 11 3HE MET 1 3HE MET 1 -1.563 -18.009 -4.144 12 H GLN 2 H GLN 2 5.775 -18.814 -3.825 13 HA GLN 2 HA GLN 2 6.479 -16.424 -2.456 14 1HB GLN 2 1HB GLN 2 8.078 -18.198 -3.269 15 2HB GLN 2 2HB GLN 2 7.827 -17.582 -4.897 16 1HG GLN 2 1HG GLN 2 9.865 -16.693 -3.958 17 2HG GLN 2 2HG GLN 2 8.689 -15.403 -4.206 18 1HE2 GLN 2 1HE2 GLN 2 7.884 -14.305 -2.471 19 2HE2 GLN 2 2HE2 GLN 2 8.474 -14.505 -0.861 20 H LEU 3 H LEU 3 5.921 -14.412 -2.935 21 HA LEU 3 HA LEU 3 5.351 -13.733 -5.743 22 1HB LEU 3 1HB LEU 3 3.861 -12.666 -3.347 23 2HB LEU 3 2HB LEU 3 3.542 -12.285 -5.028 24 HG LEU 3 HG LEU 3 3.335 -15.112 -4.044 25 1HD1 LEU 3 1HD1 LEU 3 1.679 -12.891 -3.243 26 2HD1 LEU 3 2HD1 LEU 3 1.642 -14.572 -2.713 27 3HD1 LEU 3 3HD1 LEU 3 0.753 -14.083 -4.155 28 1HD2 LEU 3 1HD2 LEU 3 1.839 -15.353 -5.917 29 2HD2 LEU 3 2HD2 LEU 3 3.348 -14.629 -6.471 30 3HD2 LEU 3 3HD2 LEU 3 1.918 -13.622 -6.249 31 H PHE 4 H PHE 4 5.742 -11.534 -6.336 32 HA PHE 4 HA PHE 4 7.727 -10.230 -4.597 33 1HB PHE 4 1HB PHE 4 7.397 -9.794 -7.566 34 2HB PHE 4 2HB PHE 4 8.757 -9.323 -6.551 35 HD1 PHE 4 HD1 PHE 4 10.351 -11.003 -5.747 36 HD2 PHE 4 HD2 PHE 4 7.183 -12.019 -8.415 37 HE1 PHE 4 HE1 PHE 4 11.491 -13.121 -6.286 38 HE2 PHE 4 HE2 PHE 4 8.317 -14.140 -8.958 39 HZ PHE 4 HZ PHE 4 10.473 -14.692 -7.893 40 H VAL 5 H VAL 5 7.581 -8.058 -4.148 41 HA VAL 5 HA VAL 5 5.261 -6.600 -5.202 42 HB VAL 5 HB VAL 5 5.991 -6.498 -2.279 43 1HG1 VAL 5 1HG1 VAL 5 4.407 -4.939 -2.107 44 2HG1 VAL 5 2HG1 VAL 5 3.259 -5.899 -3.042 45 3HG1 VAL 5 3HG1 VAL 5 4.420 -4.860 -3.869 46 1HG2 VAL 5 1HG2 VAL 5 5.146 -8.782 -3.237 47 2HG2 VAL 5 2HG2 VAL 5 3.582 -7.966 -3.254 48 3HG2 VAL 5 3HG2 VAL 5 4.470 -8.139 -1.740 49 H LYS 6 H LYS 6 5.947 -4.767 -6.075 50 HA LYS 6 HA LYS 6 8.493 -3.623 -5.209 51 1HB LYS 6 1HB LYS 6 8.262 -2.204 -7.243 52 2HB LYS 6 2HB LYS 6 8.276 -3.928 -7.587 53 1HG LYS 6 1HG LYS 6 5.797 -3.865 -7.721 54 2HG LYS 6 2HG LYS 6 5.878 -2.111 -7.534 55 1HD LYS 6 1HD LYS 6 7.129 -3.724 -9.757 56 2HD LYS 6 2HD LYS 6 5.680 -2.725 -9.884 57 1HE LYS 6 1HE LYS 6 8.462 -1.759 -9.235 58 2HE LYS 6 2HE LYS 6 7.623 -1.555 -10.772 59 1HZ LYS 6 1HZ LYS 6 6.915 -0.341 -8.160 60 2HZ LYS 6 2HZ LYS 6 5.896 -0.298 -9.510 61 3HZ LYS 6 3HZ LYS 6 7.409 0.457 -9.568 62 H THR 7 H THR 7 8.699 -1.680 -4.234 63 HA THR 7 HA THR 7 6.238 -0.397 -3.326 64 HB THR 7 HB THR 7 7.561 0.649 -1.633 65 HG1 THR 7 HG1 THR 7 9.588 1.080 -1.911 66 1HG2 THR 7 1HG2 THR 7 9.005 -1.329 -0.782 67 2HG2 THR 7 2HG2 THR 7 8.238 -2.215 -2.101 68 3HG2 THR 7 3HG2 THR 7 7.249 -1.482 -0.837 69 H LEU 8 H LEU 8 7.332 2.157 -2.793 70 HA LEU 8 HA LEU 8 7.054 3.335 -5.413 71 1HB LEU 8 1HB LEU 8 6.036 4.205 -3.235 72 2HB LEU 8 2HB LEU 8 7.640 4.797 -2.849 73 HG LEU 8 HG LEU 8 7.420 5.942 -5.227 74 1HD1 LEU 8 1HD1 LEU 8 4.598 5.358 -4.397 75 2HD1 LEU 8 2HD1 LEU 8 5.359 5.137 -5.972 76 3HD1 LEU 8 3HD1 LEU 8 5.000 6.761 -5.387 77 1HD2 LEU 8 1HD2 LEU 8 6.698 6.740 -2.506 78 2HD2 LEU 8 2HD2 LEU 8 5.990 7.745 -3.771 79 3HD2 LEU 8 3HD2 LEU 8 7.739 7.536 -3.687 80 H THR 9 H THR 9 9.623 2.384 -3.387 81 HA THR 9 HA THR 9 11.524 4.211 -4.650 82 HB THR 9 HB THR 9 13.098 3.520 -2.996 83 HG1 THR 9 HG1 THR 9 11.391 1.639 -1.853 84 1HG2 THR 9 1HG2 THR 9 11.092 4.924 -2.222 85 2HG2 THR 9 2HG2 THR 9 12.123 4.172 -1.003 86 3HG2 THR 9 3HG2 THR 9 10.567 3.449 -1.411 87 H GLY 10 H GLY 10 10.126 1.457 -5.555 88 1HA GLY 10 1HA GLY 10 10.740 0.142 -7.391 89 2HA GLY 10 2HA GLY 10 12.395 0.707 -7.214 90 H LYS 11 H LYS 11 12.391 0.048 -4.321 91 HA LYS 11 HA LYS 11 13.713 -2.287 -4.234 92 1HB LYS 11 1HB LYS 11 12.814 -0.612 -2.332 93 2HB LYS 11 2HB LYS 11 11.741 -1.973 -2.040 94 1HG LYS 11 1HG LYS 11 14.222 -3.154 -2.274 95 2HG LYS 11 2HG LYS 11 14.551 -1.652 -1.409 96 1HD LYS 11 1HD LYS 11 13.900 -2.727 0.435 97 2HD LYS 11 2HD LYS 11 12.257 -2.608 -0.201 98 1HE LYS 11 1HE LYS 11 12.344 -4.777 -1.113 99 2HE LYS 11 2HE LYS 11 14.096 -4.867 -0.935 100 1HZ LYS 11 1HZ LYS 11 13.441 -4.553 1.586 101 2HZ LYS 11 2HZ LYS 11 13.473 -6.080 0.858 102 3HZ LYS 11 3HZ LYS 11 12.001 -5.270 1.060 103 H THR 12 H THR 12 13.336 -4.403 -4.497 104 HA THR 12 HA THR 12 10.580 -5.231 -5.060 105 HB THR 12 HB THR 12 12.939 -6.994 -5.571 106 HG1 THR 12 HG1 THR 12 13.696 -5.186 -6.517 107 1HG2 THR 12 1HG2 THR 12 10.233 -7.095 -6.235 108 2HG2 THR 12 2HG2 THR 12 11.527 -8.142 -6.819 109 3HG2 THR 12 3HG2 THR 12 11.080 -6.699 -7.730 110 H LEU 13 H LEU 13 9.529 -6.072 -3.393 111 HA LEU 13 HA LEU 13 10.997 -7.473 -1.296 112 1HB LEU 13 1HB LEU 13 9.539 -6.135 -0.188 113 2HB LEU 13 2HB LEU 13 8.393 -6.102 -1.512 114 HG LEU 13 HG LEU 13 7.698 -8.430 -0.850 115 1HD1 LEU 13 1HD1 LEU 13 9.862 -7.999 1.050 116 2HD1 LEU 13 2HD1 LEU 13 9.092 -9.498 0.528 117 3HD1 LEU 13 3HD1 LEU 13 8.362 -8.533 1.811 118 1HD2 LEU 13 1HD2 LEU 13 7.068 -5.916 0.324 119 2HD2 LEU 13 2HD2 LEU 13 6.975 -7.161 1.569 120 3HD2 LEU 13 3HD2 LEU 13 6.027 -7.321 0.091 121 H THR 14 H THR 14 10.717 -9.610 -0.790 122 HA THR 14 HA THR 14 9.070 -11.185 -2.658 123 HB THR 14 HB THR 14 11.569 -12.183 -1.298 124 HG1 THR 14 HG1 THR 14 11.380 -11.176 -3.937 125 1HG2 THR 14 1HG2 THR 14 9.691 -13.282 -3.266 126 2HG2 THR 14 2HG2 THR 14 10.745 -14.099 -2.112 127 3HG2 THR 14 3HG2 THR 14 11.401 -13.501 -3.636 128 H VAL 15 H VAL 15 7.267 -11.540 -1.466 129 HA VAL 15 HA VAL 15 7.622 -12.728 1.207 130 HB VAL 15 HB VAL 15 5.246 -12.059 1.615 131 1HG1 VAL 15 1HG1 VAL 15 7.586 -10.503 1.684 132 2HG1 VAL 15 2HG1 VAL 15 6.123 -10.301 2.648 133 3HG1 VAL 15 3HG1 VAL 15 6.296 -9.441 1.118 134 1HG2 VAL 15 1HG2 VAL 15 4.743 -11.868 -0.870 135 2HG2 VAL 15 2HG2 VAL 15 5.537 -10.295 -0.802 136 3HG2 VAL 15 3HG2 VAL 15 4.096 -10.598 0.170 137 H GLU 16 H GLU 16 6.095 -14.406 1.822 138 HA GLU 16 HA GLU 16 5.081 -15.928 -0.487 139 1HB GLU 16 1HB GLU 16 5.658 -17.998 0.731 140 2HB GLU 16 2HB GLU 16 7.073 -17.022 0.364 141 1HG GLU 16 1HG GLU 16 5.843 -16.507 2.981 142 2HG GLU 16 2HG GLU 16 6.550 -18.110 2.775 143 H LEU 17 H LEU 17 2.988 -16.401 -0.415 144 HA LEU 17 HA LEU 17 1.651 -16.659 2.176 145 1HB LEU 17 1HB LEU 17 0.933 -14.727 -0.004 146 2HB LEU 17 2HB LEU 17 -0.293 -15.338 1.090 147 HG LEU 17 HG LEU 17 2.171 -14.133 2.261 148 1HD1 LEU 17 1HD1 LEU 17 1.624 -11.962 1.841 149 2HD1 LEU 17 2HD1 LEU 17 -0.088 -12.321 1.615 150 3HD1 LEU 17 3HD1 LEU 17 1.067 -12.697 0.337 151 1HD2 LEU 17 1HD2 LEU 17 -0.735 -14.053 3.054 152 2HD2 LEU 17 2HD2 LEU 17 0.630 -13.469 4.004 153 3HD2 LEU 17 3HD2 LEU 17 0.460 -15.192 3.674 154 H GLU 18 H GLU 18 -0.881 -17.097 1.480 155 HA GLU 18 HA GLU 18 -0.730 -19.346 -0.419 156 1HB GLU 18 1HB GLU 18 -2.402 -19.044 2.078 157 2HB GLU 18 2HB GLU 18 -2.581 -20.357 0.923 158 1HG GLU 18 1HG GLU 18 0.133 -19.917 1.981 159 2HG GLU 18 2HG GLU 18 -1.068 -20.509 3.126 160 HA PRO 19 HA PRO 19 -3.882 -17.542 -2.896 161 1HB PRO 19 1HB PRO 19 -5.369 -19.743 -3.562 162 2HB PRO 19 2HB PRO 19 -3.810 -19.350 -4.295 163 1HG PRO 19 1HG PRO 19 -4.436 -21.272 -2.088 164 2HG PRO 19 2HG PRO 19 -3.337 -21.469 -3.466 165 1HD PRO 19 1HD PRO 19 -2.434 -20.868 -1.004 166 2HD PRO 19 2HD PRO 19 -1.661 -20.223 -2.467 167 H SER 20 H SER 20 -4.708 -19.359 -0.074 168 HA SER 20 HA SER 20 -7.516 -18.692 -0.148 169 1HB SER 20 1HB SER 20 -7.741 -19.996 1.781 170 2HB SER 20 2HB SER 20 -6.399 -20.774 0.943 171 HG SER 20 HG SER 20 -5.995 -20.403 3.189 172 H ASP 21 H ASP 21 -4.606 -17.298 1.059 173 HA ASP 21 HA ASP 21 -5.552 -15.748 3.172 174 1HB ASP 21 1HB ASP 21 -3.369 -15.110 1.176 175 2HB ASP 21 2HB ASP 21 -3.623 -14.257 2.695 176 H THR 22 H THR 22 -5.523 -13.225 3.003 177 HA THR 22 HA THR 22 -7.102 -12.390 0.666 178 HB THR 22 HB THR 22 -8.576 -11.092 2.123 179 HG1 THR 22 HG1 THR 22 -6.691 -11.380 3.885 180 1HG2 THR 22 1HG2 THR 22 -9.660 -12.948 3.418 181 2HG2 THR 22 2HG2 THR 22 -8.358 -13.995 2.854 182 3HG2 THR 22 3HG2 THR 22 -9.449 -13.240 1.691 183 H VAL 23 H VAL 23 -7.240 -9.971 0.488 184 HA VAL 23 HA VAL 23 -4.809 -8.793 0.157 185 HB VAL 23 HB VAL 23 -7.352 -7.364 0.952 186 1HG1 VAL 23 1HG1 VAL 23 -6.017 -5.571 1.046 187 2HG1 VAL 23 2HG1 VAL 23 -5.955 -5.695 -0.711 188 3HG1 VAL 23 3HG1 VAL 23 -4.677 -6.412 0.268 189 1HG2 VAL 23 1HG2 VAL 23 -6.516 -8.725 -1.475 190 2HG2 VAL 23 2HG2 VAL 23 -6.947 -7.039 -1.760 191 3HG2 VAL 23 3HG2 VAL 23 -8.108 -8.130 -1.003 192 H GLU 24 H GLU 24 -6.820 -8.682 3.073 193 HA GLU 24 HA GLU 24 -5.358 -6.910 4.607 194 1HB GLU 24 1HB GLU 24 -7.208 -9.143 5.155 195 2HB GLU 24 2HB GLU 24 -6.141 -8.714 6.486 196 1HG GLU 24 1HG GLU 24 -7.027 -6.269 5.689 197 2HG GLU 24 2HG GLU 24 -8.434 -7.283 5.369 198 H ASN 25 H ASN 25 -4.962 -10.446 4.430 199 HA ASN 25 HA ASN 25 -2.820 -10.714 6.162 200 1HB ASN 25 1HB ASN 25 -3.262 -12.288 3.616 201 2HB ASN 25 2HB ASN 25 -2.313 -12.800 5.008 202 1HD2 ASN 25 1HD2 ASN 25 -4.139 -11.779 6.969 203 2HD2 ASN 25 2HD2 ASN 25 -5.519 -12.818 6.962 204 H LEU 26 H LEU 26 -2.729 -10.200 2.639 205 HA LEU 26 HA LEU 26 0.021 -10.136 2.298 206 1HB LEU 26 1HB LEU 26 -1.702 -10.104 0.488 207 2HB LEU 26 2HB LEU 26 -1.980 -8.409 0.842 208 HG LEU 26 HG LEU 26 0.393 -7.940 0.258 209 1HD1 LEU 26 1HD1 LEU 26 1.687 -9.788 0.447 210 2HD1 LEU 26 2HD1 LEU 26 1.284 -9.944 -1.263 211 3HD1 LEU 26 3HD1 LEU 26 0.398 -10.880 -0.060 212 1HD2 LEU 26 1HD2 LEU 26 -0.298 -7.500 -1.810 213 2HD2 LEU 26 2HD2 LEU 26 -1.780 -8.365 -1.407 214 3HD2 LEU 26 3HD2 LEU 26 -0.452 -9.212 -2.201 215 H LYS 27 H LYS 27 -2.078 -7.260 2.570 216 HA LYS 27 HA LYS 27 -0.107 -5.355 2.839 217 1HB LYS 27 1HB LYS 27 -2.735 -5.308 4.329 218 2HB LYS 27 2HB LYS 27 -1.768 -3.924 3.839 219 1HG LYS 27 1HG LYS 27 -2.150 -4.757 1.442 220 2HG LYS 27 2HG LYS 27 -3.432 -5.747 2.144 221 1HD LYS 27 1HD LYS 27 -4.651 -3.867 2.847 222 2HD LYS 27 2HD LYS 27 -3.267 -2.790 2.644 223 1HE LYS 27 1HE LYS 27 -3.467 -2.766 0.327 224 2HE LYS 27 2HE LYS 27 -4.422 -4.248 0.298 225 1HZ LYS 27 1HZ LYS 27 -5.274 -1.508 0.933 226 2HZ LYS 27 2HZ LYS 27 -6.116 -2.811 1.602 227 3HZ LYS 27 3HZ LYS 27 -6.005 -2.651 -0.077 228 H ALA 28 H ALA 28 -1.632 -7.308 5.373 229 HA ALA 28 HA ALA 28 -0.593 -6.223 7.648 230 1HB ALA 28 1HB ALA 28 -1.282 -8.106 8.670 231 2HB ALA 28 2HB ALA 28 -0.389 -9.154 7.568 232 3HB ALA 28 3HB ALA 28 -1.953 -8.497 7.087 233 H LYS 29 H LYS 29 1.008 -8.693 5.637 234 HA LYS 29 HA LYS 29 3.410 -8.772 7.082 235 1HB LYS 29 1HB LYS 29 2.556 -9.584 4.347 236 2HB LYS 29 2HB LYS 29 4.283 -9.476 4.664 237 1HG LYS 29 1HG LYS 29 4.274 -11.416 5.733 238 2HG LYS 29 2HG LYS 29 2.955 -10.894 6.784 239 1HD LYS 29 1HD LYS 29 1.346 -11.482 5.010 240 2HD LYS 29 2HD LYS 29 2.683 -12.068 4.018 241 1HE LYS 29 1HE LYS 29 2.526 -14.047 5.007 242 2HE LYS 29 2HE LYS 29 2.928 -13.292 6.549 243 1HZ LYS 29 1HZ LYS 29 0.253 -12.745 6.056 244 2HZ LYS 29 2HZ LYS 29 0.895 -13.780 7.230 245 3HZ LYS 29 3HZ LYS 29 0.470 -14.387 5.710 246 H ILE 30 H ILE 30 2.361 -6.753 4.386 247 HA ILE 30 HA ILE 30 4.781 -5.528 3.758 248 HB ILE 30 HB ILE 30 2.031 -4.279 3.690 249 1HG1 ILE 30 1HG1 ILE 30 3.551 -6.009 1.748 250 2HG1 ILE 30 2HG1 ILE 30 1.913 -6.225 2.358 251 1HG2 ILE 30 1HG2 ILE 30 4.341 -2.942 3.431 252 2HG2 ILE 30 2HG2 ILE 30 2.874 -2.521 2.547 253 3HG2 ILE 30 3HG2 ILE 30 4.127 -3.487 1.767 254 1HD1 ILE 30 1HD1 ILE 30 1.875 -3.764 1.067 255 2HD1 ILE 30 2HD1 ILE 30 1.194 -5.285 0.492 256 3HD1 ILE 30 3HD1 ILE 30 2.830 -4.819 0.027 257 H GLN 31 H GLN 31 2.596 -5.005 6.420 258 HA GLN 31 HA GLN 31 3.888 -2.543 7.240 259 1HB GLN 31 1HB GLN 31 1.507 -2.729 7.607 260 2HB GLN 31 2HB GLN 31 1.722 -4.217 8.518 261 1HG GLN 31 1HG GLN 31 2.851 -3.023 10.283 262 2HG GLN 31 2HG GLN 31 2.778 -1.526 9.354 263 1HE2 GLN 31 1HE2 GLN 31 1.737 -0.743 11.331 264 2HE2 GLN 31 2HE2 GLN 31 0.033 -0.964 11.511 265 H ASP 32 H ASP 32 4.210 -5.914 7.792 266 HA ASP 32 HA ASP 32 5.662 -5.577 10.287 267 1HB ASP 32 1HB ASP 32 4.195 -7.673 9.113 268 2HB ASP 32 2HB ASP 32 5.860 -8.225 9.226 269 H LYS 33 H LYS 33 6.310 -5.596 6.968 270 HA LYS 33 HA LYS 33 9.161 -6.154 7.468 271 1HB LYS 33 1HB LYS 33 7.436 -6.662 5.057 272 2HB LYS 33 2HB LYS 33 9.185 -6.551 4.916 273 1HG LYS 33 1HG LYS 33 8.309 -8.343 7.041 274 2HG LYS 33 2HG LYS 33 7.764 -8.827 5.434 275 1HD LYS 33 1HD LYS 33 10.380 -8.123 4.994 276 2HD LYS 33 2HD LYS 33 10.443 -8.856 6.598 277 1HE LYS 33 1HE LYS 33 10.587 -10.794 5.481 278 2HE LYS 33 2HE LYS 33 8.847 -10.608 5.262 279 1HZ LYS 33 1HZ LYS 33 10.959 -10.454 3.323 280 2HZ LYS 33 2HZ LYS 33 9.886 -9.150 3.231 281 3HZ LYS 33 3HZ LYS 33 9.304 -10.732 3.100 282 H GLU 34 H GLU 34 7.068 -4.329 5.225 283 HA GLU 34 HA GLU 34 9.166 -2.339 4.884 284 1HB GLU 34 1HB GLU 34 6.530 -2.850 3.532 285 2HB GLU 34 2HB GLU 34 7.398 -1.342 3.289 286 1HG GLU 34 1HG GLU 34 8.490 -4.087 2.717 287 2HG GLU 34 2HG GLU 34 7.830 -2.978 1.517 288 H GLY 35 H GLY 35 6.657 -2.858 7.001 289 1HA GLY 35 1HA GLY 35 5.583 -1.539 8.534 290 2HA GLY 35 2HA GLY 35 6.914 -0.415 8.311 291 H ILE 36 H ILE 36 4.718 -1.375 5.751 292 HA ILE 36 HA ILE 36 3.883 1.418 5.494 293 HB ILE 36 HB ILE 36 3.393 -0.865 3.580 294 1HG1 ILE 36 1HG1 ILE 36 5.524 1.281 3.470 295 2HG1 ILE 36 2HG1 ILE 36 5.811 -0.397 3.922 296 1HG2 ILE 36 1HG2 ILE 36 3.319 1.357 2.077 297 2HG2 ILE 36 2HG2 ILE 36 2.722 2.009 3.604 298 3HG2 ILE 36 3HG2 ILE 36 1.893 0.653 2.839 299 1HD1 ILE 36 1HD1 ILE 36 4.617 -0.753 1.544 300 2HD1 ILE 36 2HD1 ILE 36 6.361 -0.585 1.755 301 3HD1 ILE 36 3HD1 ILE 36 5.391 0.808 1.276 302 HA PRO 37 HA PRO 37 0.012 0.418 7.482 303 1HB PRO 37 1HB PRO 37 -0.844 2.983 6.287 304 2HB PRO 37 2HB PRO 37 -0.822 2.484 7.980 305 1HG PRO 37 1HG PRO 37 0.944 4.257 7.033 306 2HG PRO 37 2HG PRO 37 1.403 3.059 8.257 307 1HD PRO 37 1HD PRO 37 1.940 3.062 5.311 308 2HD PRO 37 2HD PRO 37 3.005 2.587 6.651 309 HA PRO 38 HA PRO 38 -2.235 -1.276 4.042 310 1HB PRO 38 1HB PRO 38 -4.529 -1.883 5.386 311 2HB PRO 38 2HB PRO 38 -3.060 -2.860 5.477 312 1HG PRO 38 1HG PRO 38 -4.089 -0.798 7.389 313 2HG PRO 38 2HG PRO 38 -3.361 -2.379 7.731 314 1HD PRO 38 1HD PRO 38 -1.966 -0.080 7.949 315 2HD PRO 38 2HD PRO 38 -1.208 -1.595 7.417 316 H ASP 39 H ASP 39 -3.445 1.302 6.066 317 HA ASP 39 HA ASP 39 -5.744 1.943 4.541 318 1HB ASP 39 1HB ASP 39 -4.836 2.739 6.949 319 2HB ASP 39 2HB ASP 39 -4.342 4.125 5.982 320 H GLN 40 H GLN 40 -2.387 2.523 4.091 321 HA GLN 40 HA GLN 40 -2.986 4.387 1.888 322 1HB GLN 40 1HB GLN 40 -0.281 4.144 3.175 323 2HB GLN 40 2HB GLN 40 -0.935 5.475 2.230 324 1HG GLN 40 1HG GLN 40 -2.662 5.482 4.283 325 2HG GLN 40 2HG GLN 40 -1.227 4.856 5.093 326 1HE2 GLN 40 1HE2 GLN 40 -0.340 6.463 6.176 327 2HE2 GLN 40 2HE2 GLN 40 -0.034 8.052 5.568 328 H GLN 41 H GLN 41 -2.701 1.313 2.182 329 HA GLN 41 HA GLN 41 -0.512 0.794 0.334 330 1HB GLN 41 1HB GLN 41 -2.261 -0.858 2.081 331 2HB GLN 41 2HB GLN 41 -1.613 -1.622 0.635 332 1HG GLN 41 1HG GLN 41 0.663 -0.924 1.382 333 2HG GLN 41 2HG GLN 41 -0.065 -0.384 2.894 334 1HE2 GLN 41 1HE2 GLN 41 0.028 -1.785 4.483 335 2HE2 GLN 41 2HE2 GLN 41 0.102 -3.505 4.329 336 H ARG 42 H ARG 42 -0.821 0.931 -1.782 337 HA ARG 42 HA ARG 42 -3.497 0.313 -2.852 338 1HB ARG 42 1HB ARG 42 -1.642 2.523 -3.366 339 2HB ARG 42 2HB ARG 42 -2.237 1.752 -4.830 340 1HG ARG 42 1HG ARG 42 -4.538 2.120 -4.088 341 2HG ARG 42 2HG ARG 42 -3.936 2.901 -2.624 342 1HD ARG 42 1HD ARG 42 -3.411 4.810 -3.701 343 2HD ARG 42 2HD ARG 42 -2.873 3.966 -5.152 344 HE ARG 42 HE ARG 42 -4.951 4.276 -6.045 345 1HH1 ARG 42 1HH1 ARG 42 -6.787 5.236 -2.620 346 2HH1 ARG 42 2HH1 ARG 42 -5.140 4.702 -2.593 347 1HH2 ARG 42 1HH2 ARG 42 -7.121 4.979 -6.090 348 2HH2 ARG 42 2HH2 ARG 42 -7.914 5.394 -4.607 349 H LEU 43 H LEU 43 -3.385 -1.737 -3.550 350 HA LEU 43 HA LEU 43 -0.983 -2.715 -4.869 351 1HB LEU 43 1HB LEU 43 -3.572 -4.089 -4.149 352 2HB LEU 43 2HB LEU 43 -2.201 -4.884 -4.899 353 HG LEU 43 HG LEU 43 -2.033 -3.513 -2.220 354 1HD1 LEU 43 1HD1 LEU 43 -2.739 -5.358 -1.139 355 2HD1 LEU 43 2HD1 LEU 43 -2.070 -6.454 -2.347 356 3HD1 LEU 43 3HD1 LEU 43 -3.613 -5.654 -2.641 357 1HD2 LEU 43 1HD2 LEU 43 -0.274 -5.691 -3.296 358 2HD2 LEU 43 2HD2 LEU 43 0.045 -4.551 -1.989 359 3HD2 LEU 43 3HD2 LEU 43 0.034 -3.994 -3.662 360 H ILE 44 H ILE 44 -0.723 -2.432 -6.974 361 HA ILE 44 HA ILE 44 -3.112 -2.373 -8.699 362 HB ILE 44 HB ILE 44 -0.442 -1.156 -9.379 363 1HG1 ILE 44 1HG1 ILE 44 -1.270 -0.032 -7.387 364 2HG1 ILE 44 2HG1 ILE 44 -1.456 1.027 -8.782 365 1HG2 ILE 44 1HG2 ILE 44 -2.614 0.136 -10.633 366 2HG2 ILE 44 2HG2 ILE 44 -2.866 -1.600 -10.812 367 3HG2 ILE 44 3HG2 ILE 44 -1.365 -0.865 -11.373 368 1HD1 ILE 44 1HD1 ILE 44 -3.667 -0.656 -7.638 369 2HD1 ILE 44 2HD1 ILE 44 -3.799 0.586 -8.884 370 3HD1 ILE 44 3HD1 ILE 44 -3.384 1.036 -7.230 371 H PHE 45 H PHE 45 -3.163 -4.597 -9.091 372 HA PHE 45 HA PHE 45 -0.816 -5.768 -10.406 373 1HB PHE 45 1HB PHE 45 -1.812 -6.988 -8.482 374 2HB PHE 45 2HB PHE 45 -3.311 -7.145 -9.391 375 HD1 PHE 45 HD1 PHE 45 0.172 -7.507 -10.627 376 HD2 PHE 45 HD2 PHE 45 -3.514 -9.443 -9.701 377 HE1 PHE 45 HE1 PHE 45 1.011 -9.587 -11.652 378 HE2 PHE 45 HE2 PHE 45 -2.681 -11.526 -10.723 379 HZ PHE 45 HZ PHE 45 -0.416 -11.599 -11.698 380 H ALA 46 H ALA 46 -0.849 -5.321 -12.526 381 HA ALA 46 HA ALA 46 -1.490 -5.347 -14.710 382 1HB ALA 46 1HB ALA 46 -2.661 -7.152 -15.426 383 2HB ALA 46 2HB ALA 46 -3.922 -6.956 -14.210 384 3HB ALA 46 3HB ALA 46 -2.377 -7.683 -13.769 385 H GLY 47 H GLY 47 -2.372 -3.223 -13.063 386 1HA GLY 47 1HA GLY 47 -3.654 -1.332 -13.465 387 2HA GLY 47 2HA GLY 47 -4.506 -2.216 -14.722 388 H LYS 48 H LYS 48 -4.552 -4.145 -12.063 389 HA LYS 48 HA LYS 48 -7.262 -3.267 -11.386 390 1HB LYS 48 1HB LYS 48 -5.865 -5.849 -11.470 391 2HB LYS 48 2HB LYS 48 -6.885 -5.633 -10.054 392 1HG LYS 48 1HG LYS 48 -8.820 -5.524 -11.293 393 2HG LYS 48 2HG LYS 48 -7.978 -5.017 -12.759 394 1HD LYS 48 1HD LYS 48 -6.860 -7.436 -12.400 395 2HD LYS 48 2HD LYS 48 -8.441 -7.725 -11.670 396 1HE LYS 48 1HE LYS 48 -9.562 -7.424 -13.648 397 2HE LYS 48 2HE LYS 48 -8.325 -6.358 -14.311 398 1HZ LYS 48 1HZ LYS 48 -8.630 -9.147 -14.650 399 2HZ LYS 48 2HZ LYS 48 -7.124 -8.826 -13.949 400 3HZ LYS 48 3HZ LYS 48 -7.547 -8.096 -15.415 401 H GLN 49 H GLN 49 -7.915 -2.855 -9.287 402 HA GLN 49 HA GLN 49 -5.724 -2.343 -7.395 403 1HB GLN 49 1HB GLN 49 -7.932 -0.770 -8.249 404 2HB GLN 49 2HB GLN 49 -8.179 -1.150 -6.549 405 1HG GLN 49 1HG GLN 49 -6.275 -0.032 -5.884 406 2HG GLN 49 2HG GLN 49 -5.528 -0.142 -7.477 407 1HE2 GLN 49 1HE2 GLN 49 -6.868 1.931 -5.363 408 2HE2 GLN 49 2HE2 GLN 49 -7.425 3.157 -6.444 409 H LEU 50 H LEU 50 -5.498 -4.073 -6.108 410 HA LEU 50 HA LEU 50 -7.435 -5.935 -5.421 411 1HB LEU 50 1HB LEU 50 -5.119 -5.111 -3.673 412 2HB LEU 50 2HB LEU 50 -5.948 -6.656 -3.668 413 HG LEU 50 HG LEU 50 -3.927 -5.599 -5.586 414 1HD1 LEU 50 1HD1 LEU 50 -4.072 -8.453 -5.100 415 2HD1 LEU 50 2HD1 LEU 50 -3.954 -7.525 -3.605 416 3HD1 LEU 50 3HD1 LEU 50 -2.732 -7.331 -4.863 417 1HD2 LEU 50 1HD2 LEU 50 -4.673 -7.590 -7.069 418 2HD2 LEU 50 2HD2 LEU 50 -5.524 -6.050 -7.200 419 3HD2 LEU 50 3HD2 LEU 50 -6.233 -7.374 -6.275 420 H GLU 51 H GLU 51 -9.229 -5.762 -4.264 421 HA GLU 51 HA GLU 51 -9.562 -3.494 -2.459 422 1HB GLU 51 1HB GLU 51 -11.554 -5.540 -3.453 423 2HB GLU 51 2HB GLU 51 -11.946 -4.165 -2.428 424 1HG GLU 51 1HG GLU 51 -10.705 -3.891 -5.151 425 2HG GLU 51 2HG GLU 51 -12.446 -3.889 -4.870 426 H ASP 52 H ASP 52 -9.450 -3.664 -0.318 427 HA ASP 52 HA ASP 52 -8.589 -5.957 0.998 428 1HB ASP 52 1HB ASP 52 -8.213 -3.911 2.103 429 2HB ASP 52 2HB ASP 52 -9.903 -3.432 1.974 430 H GLY 53 H GLY 53 -9.790 -7.780 0.650 431 1HA GLY 53 1HA GLY 53 -11.730 -8.624 2.292 432 2HA GLY 53 2HA GLY 53 -12.662 -7.745 1.089 433 H ARG 54 H ARG 54 -10.536 -8.582 -0.937 434 HA ARG 54 HA ARG 54 -11.825 -11.101 -1.623 435 1HB ARG 54 1HB ARG 54 -10.300 -9.021 -3.094 436 2HB ARG 54 2HB ARG 54 -10.192 -10.666 -3.706 437 1HG ARG 54 1HG ARG 54 -12.014 -9.083 -4.626 438 2HG ARG 54 2HG ARG 54 -12.434 -10.754 -4.246 439 1HD ARG 54 1HD ARG 54 -13.664 -10.174 -2.403 440 2HD ARG 54 2HD ARG 54 -12.743 -8.697 -2.121 441 HE ARG 54 HE ARG 54 -14.245 -7.574 -3.420 442 1HH1 ARG 54 1HH1 ARG 54 -15.863 -10.797 -5.158 443 2HH1 ARG 54 2HH1 ARG 54 -14.489 -10.977 -4.120 444 1HH2 ARG 54 1HH2 ARG 54 -16.057 -7.326 -4.783 445 2HH2 ARG 54 2HH2 ARG 54 -16.754 -8.722 -5.536 446 H THR 55 H THR 55 -10.532 -12.910 -2.432 447 HA THR 55 HA THR 55 -8.188 -13.318 -0.739 448 HB THR 55 HB THR 55 -8.443 -15.699 -1.335 449 HG1 THR 55 HG1 THR 55 -9.517 -16.167 -3.053 450 1HG2 THR 55 1HG2 THR 55 -10.968 -15.877 -0.564 451 2HG2 THR 55 2HG2 THR 55 -10.688 -14.187 -0.144 452 3HG2 THR 55 3HG2 THR 55 -9.670 -15.449 0.549 453 H LEU 56 H LEU 56 -6.175 -13.893 -1.520 454 HA LEU 56 HA LEU 56 -5.134 -12.716 -3.715 455 1HB LEU 56 1HB LEU 56 -4.276 -15.440 -2.739 456 2HB LEU 56 2HB LEU 56 -3.294 -14.298 -3.636 457 HG LEU 56 HG LEU 56 -4.102 -14.244 -0.762 458 1HD1 LEU 56 1HD1 LEU 56 -1.541 -13.675 -2.246 459 2HD1 LEU 56 2HD1 LEU 56 -1.932 -15.142 -1.349 460 3HD1 LEU 56 3HD1 LEU 56 -1.741 -13.611 -0.495 461 1HD2 LEU 56 1HD2 LEU 56 -3.622 -11.864 -2.518 462 2HD2 LEU 56 2HD2 LEU 56 -3.202 -11.833 -0.805 463 3HD2 LEU 56 3HD2 LEU 56 -4.872 -12.116 -1.300 464 H SER 57 H SER 57 -6.598 -15.939 -3.624 465 HA SER 57 HA SER 57 -6.064 -16.644 -6.293 466 1HB SER 57 1HB SER 57 -6.733 -18.487 -5.097 467 2HB SER 57 2HB SER 57 -7.938 -17.585 -4.178 468 HG SER 57 HG SER 57 -9.371 -18.183 -5.579 469 H ASP 58 H ASP 58 -8.816 -14.996 -4.800 470 HA ASP 58 HA ASP 58 -10.572 -14.897 -6.917 471 1HB ASP 58 1HB ASP 58 -9.987 -12.799 -4.822 472 2HB ASP 58 2HB ASP 58 -11.357 -12.719 -5.925 473 H TYR 59 H TYR 59 -7.671 -12.998 -6.386 474 HA TYR 59 HA TYR 59 -8.192 -11.422 -8.793 475 1HB TYR 59 1HB TYR 59 -6.033 -11.210 -6.687 476 2HB TYR 59 2HB TYR 59 -6.145 -10.163 -8.098 477 HD1 TYR 59 HD1 TYR 59 -6.580 -10.017 -4.787 478 HD2 TYR 59 HD2 TYR 59 -8.907 -9.446 -8.313 479 HE1 TYR 59 HE1 TYR 59 -8.086 -8.515 -3.543 480 HE2 TYR 59 HE2 TYR 59 -10.418 -7.941 -7.079 481 HH TYR 59 HH TYR 59 -11.058 -7.312 -4.948 482 H ASN 60 H ASN 60 -7.511 -14.314 -8.812 483 HA ASN 60 HA ASN 60 -6.047 -15.794 -9.781 484 1HB ASN 60 1HB ASN 60 -5.579 -15.265 -12.111 485 2HB ASN 60 2HB ASN 60 -7.215 -14.756 -11.700 486 1HD2 ASN 60 1HD2 ASN 60 -7.587 -12.505 -11.308 487 2HD2 ASN 60 2HD2 ASN 60 -6.586 -11.319 -12.066 488 H LEU 61 H LEU 61 -4.441 -15.515 -8.081 489 HA LEU 61 HA LEU 61 -2.086 -13.969 -8.919 490 1HB LEU 61 1HB LEU 61 -3.249 -14.698 -6.310 491 2HB LEU 61 2HB LEU 61 -1.502 -14.799 -6.399 492 HG LEU 61 HG LEU 61 -3.245 -12.376 -6.767 493 1HD1 LEU 61 1HD1 LEU 61 -1.015 -13.143 -4.903 494 2HD1 LEU 61 2HD1 LEU 61 -2.686 -12.744 -4.503 495 3HD1 LEU 61 3HD1 LEU 61 -1.592 -11.486 -5.078 496 1HD2 LEU 61 1HD2 LEU 61 -0.705 -12.975 -8.043 497 2HD2 LEU 61 2HD2 LEU 61 -0.646 -11.515 -7.055 498 3HD2 LEU 61 3HD2 LEU 61 -1.842 -11.661 -8.344 499 H GLN 62 H GLN 62 -0.698 -15.153 -10.055 500 HA GLN 62 HA GLN 62 -0.455 -18.011 -9.573 501 1HB GLN 62 1HB GLN 62 0.598 -16.152 -11.691 502 2HB GLN 62 2HB GLN 62 1.203 -17.796 -11.536 503 1HG GLN 62 1HG GLN 62 -0.787 -18.738 -12.195 504 2HG GLN 62 2HG GLN 62 -1.734 -17.329 -11.721 505 1HE2 GLN 62 1HE2 GLN 62 -0.632 -15.280 -12.977 506 2HE2 GLN 62 2HE2 GLN 62 -0.654 -15.492 -14.691 507 H LYS 63 H LYS 63 1.985 -18.774 -9.905 508 HA LYS 63 HA LYS 63 3.373 -17.808 -7.581 509 1HB LYS 63 1HB LYS 63 3.224 -20.237 -8.706 510 2HB LYS 63 2HB LYS 63 4.712 -19.680 -9.458 511 1HG LYS 63 1HG LYS 63 5.398 -19.063 -7.030 512 2HG LYS 63 2HG LYS 63 4.126 -20.201 -6.580 513 1HD LYS 63 1HD LYS 63 5.203 -21.954 -7.868 514 2HD LYS 63 2HD LYS 63 6.445 -20.822 -8.407 515 1HE LYS 63 1HE LYS 63 6.784 -20.480 -5.821 516 2HE LYS 63 2HE LYS 63 6.041 -22.077 -5.735 517 1HZ LYS 63 1HZ LYS 63 8.688 -21.385 -6.450 518 2HZ LYS 63 2HZ LYS 63 7.953 -22.216 -7.726 519 3HZ LYS 63 3HZ LYS 63 8.023 -22.919 -6.190 520 H GLU 64 H GLU 64 5.322 -16.737 -7.483 521 HA GLU 64 HA GLU 64 6.942 -15.268 -8.104 522 1HB GLU 64 1HB GLU 64 6.937 -17.344 -10.140 523 2HB GLU 64 2HB GLU 64 7.489 -15.803 -10.781 524 1HG GLU 64 1HG GLU 64 9.479 -16.159 -9.897 525 2HG GLU 64 2HG GLU 64 8.758 -16.166 -8.288 526 H SER 65 H SER 65 4.500 -14.170 -8.159 527 HA SER 65 HA SER 65 4.237 -12.754 -10.711 528 1HB SER 65 1HB SER 65 2.377 -12.796 -8.320 529 2HB SER 65 2HB SER 65 2.054 -12.012 -9.866 530 HG SER 65 HG SER 65 1.986 -14.002 -10.848 531 H THR 66 H THR 66 4.229 -10.495 -10.831 532 HA THR 66 HA THR 66 5.531 -9.162 -8.551 533 HB THR 66 HB THR 66 5.738 -8.738 -11.520 534 HG1 THR 66 HG1 THR 66 7.816 -8.783 -9.625 535 1HG2 THR 66 1HG2 THR 66 5.960 -6.552 -11.285 536 2HG2 THR 66 2HG2 THR 66 7.400 -6.867 -10.316 537 3HG2 THR 66 3HG2 THR 66 5.834 -6.665 -9.530 538 H ILE 67 H ILE 67 4.179 -7.944 -7.419 539 HA ILE 67 HA ILE 67 1.965 -6.603 -8.817 540 HB ILE 67 HB ILE 67 2.270 -7.282 -5.890 541 1HG1 ILE 67 1HG1 ILE 67 -0.069 -8.300 -7.287 542 2HG1 ILE 67 2HG1 ILE 67 1.428 -8.857 -8.029 543 1HG2 ILE 67 1HG2 ILE 67 1.078 -5.267 -5.915 544 2HG2 ILE 67 2HG2 ILE 67 -0.166 -6.514 -5.840 545 3HG2 ILE 67 3HG2 ILE 67 0.186 -5.710 -7.370 546 1HD1 ILE 67 1HD1 ILE 67 1.513 -10.434 -6.486 547 2HD1 ILE 67 2HD1 ILE 67 0.158 -9.722 -5.610 548 3HD1 ILE 67 3HD1 ILE 67 1.803 -9.174 -5.286 549 H HIS 68 H HIS 68 1.670 -4.420 -8.655 550 HA HIS 68 HA HIS 68 3.955 -2.896 -7.680 551 1HB HIS 68 1HB HIS 68 1.544 -1.798 -9.122 552 2HB HIS 68 2HB HIS 68 3.151 -1.088 -8.995 553 HD1 HIS 68 HD1 HIS 68 2.517 -1.123 -11.743 554 HD2 HIS 68 HD2 HIS 68 3.734 -4.649 -9.914 555 HE1 HIS 68 HE1 HIS 68 3.300 -2.613 -13.611 556 HE2 HIS 68 HE2 HIS 68 3.926 -4.780 -12.490 557 H LEU 69 H LEU 69 3.957 -1.969 -5.753 558 HA LEU 69 HA LEU 69 1.370 -1.376 -4.473 559 1HB LEU 69 1HB LEU 69 2.624 -3.108 -3.302 560 2HB LEU 69 2HB LEU 69 4.023 -2.056 -3.206 561 HG LEU 69 HG LEU 69 2.389 -0.471 -1.907 562 1HD1 LEU 69 1HD1 LEU 69 0.528 -1.370 -0.942 563 2HD1 LEU 69 2HD1 LEU 69 1.148 -3.020 -1.016 564 3HD1 LEU 69 3HD1 LEU 69 0.525 -2.245 -2.473 565 1HD2 LEU 69 1HD2 LEU 69 4.098 -2.685 -1.102 566 2HD2 LEU 69 2HD2 LEU 69 2.879 -2.276 0.105 567 3HD2 LEU 69 3HD2 LEU 69 3.998 -1.041 -0.472 568 H VAL 70 H VAL 70 0.921 0.717 -4.433 569 HA VAL 70 HA VAL 70 3.153 2.629 -4.207 570 HB VAL 70 HB VAL 70 1.339 4.258 -5.146 571 1HG1 VAL 70 1HG1 VAL 70 3.508 3.224 -6.201 572 2HG1 VAL 70 2HG1 VAL 70 2.354 4.110 -7.198 573 3HG1 VAL 70 3HG1 VAL 70 2.346 2.346 -7.196 574 1HG2 VAL 70 1HG2 VAL 70 0.299 1.571 -6.026 575 2HG2 VAL 70 2HG2 VAL 70 -0.149 3.100 -6.781 576 3HG2 VAL 70 3HG2 VAL 70 -0.556 2.799 -5.092 577 H LEU 71 H LEU 71 3.034 4.271 -2.729 578 HA LEU 71 HA LEU 71 1.184 3.870 -0.537 579 1HB LEU 71 1HB LEU 71 3.666 4.362 -0.296 580 2HB LEU 71 2HB LEU 71 3.295 6.006 -0.778 581 HG LEU 71 HG LEU 71 2.022 6.403 1.185 582 1HD1 LEU 71 1HD1 LEU 71 2.179 3.429 1.619 583 2HD1 LEU 71 2HD1 LEU 71 0.739 4.414 1.364 584 3HD1 LEU 71 3HD1 LEU 71 1.658 4.567 2.861 585 1HD2 LEU 71 1HD2 LEU 71 4.674 5.909 1.273 586 2HD2 LEU 71 2HD2 LEU 71 4.095 4.787 2.505 587 3HD2 LEU 71 3HD2 LEU 71 3.734 6.508 2.639 588 H ARG 72 H ARG 72 -0.635 4.971 -0.229 589 HA ARG 72 HA ARG 72 -1.476 6.966 -2.093 590 1HB ARG 72 1HB ARG 72 -2.917 5.240 -0.826 591 2HB ARG 72 2HB ARG 72 -2.849 6.373 0.516 592 1HG ARG 72 1HG ARG 72 -3.569 7.779 -1.863 593 2HG ARG 72 2HG ARG 72 -4.616 6.372 -1.669 594 1HD ARG 72 1HD ARG 72 -5.237 7.071 0.544 595 2HD ARG 72 2HD ARG 72 -4.063 8.385 0.504 596 HE ARG 72 HE ARG 72 -5.930 8.606 -1.626 597 1HH1 ARG 72 1HH1 ARG 72 -6.756 10.359 1.876 598 2HH1 ARG 72 2HH1 ARG 72 -5.559 9.110 1.799 599 1HH2 ARG 72 1HH2 ARG 72 -7.508 10.249 -1.536 600 2HH2 ARG 72 2HH2 ARG 72 -7.865 11.007 -0.020 601 H LEU 73 H LEU 73 -1.184 9.090 -2.000 602 HA LEU 73 HA LEU 73 0.415 10.408 -0.203 603 1HB LEU 73 1HB LEU 73 -0.799 12.503 -0.961 604 2HB LEU 73 2HB LEU 73 -0.072 11.516 -2.214 605 HG LEU 73 HG LEU 73 -2.492 12.503 -2.501 606 1HD1 LEU 73 1HD1 LEU 73 -2.489 9.682 -3.301 607 2HD1 LEU 73 2HD1 LEU 73 -1.044 10.584 -3.759 608 3HD1 LEU 73 3HD1 LEU 73 -2.634 11.142 -4.279 609 1HD2 LEU 73 1HD2 LEU 73 -4.237 10.962 -1.821 610 2HD2 LEU 73 2HD2 LEU 73 -3.353 11.547 -0.411 611 3HD2 LEU 73 3HD2 LEU 73 -3.044 9.927 -1.035 612 H ARG 74 H ARG 74 -0.446 12.409 1.116 613 HA ARG 74 HA ARG 74 -1.649 11.436 3.426 614 1HB ARG 74 1HB ARG 74 -1.210 14.208 2.359 615 2HB ARG 74 2HB ARG 74 -2.078 13.960 3.868 616 1HG ARG 74 1HG ARG 74 -0.165 12.868 4.842 617 2HG ARG 74 2HG ARG 74 0.705 12.956 3.309 618 1HD ARG 74 1HD ARG 74 0.267 15.012 5.357 619 2HD ARG 74 2HD ARG 74 1.578 14.832 4.191 620 HE ARG 74 HE ARG 74 0.431 16.187 2.724 621 1HH1 ARG 74 1HH1 ARG 74 -2.867 16.456 4.979 622 2HH1 ARG 74 2HH1 ARG 74 -1.631 15.314 5.392 623 1HH2 ARG 74 1HH2 ARG 74 -1.191 17.693 2.171 624 2HH2 ARG 74 2HH2 ARG 74 -2.617 17.808 3.148 625 H GLY 75 H GLY 75 -3.199 14.141 1.779 626 1HA GLY 75 1HA GLY 75 -5.448 14.637 1.602 627 2HA GLY 75 2HA GLY 75 -5.488 13.087 0.777 628 H GLY 76 H GLY 76 -5.791 14.636 3.942 629 1HA GLY 76 1HA GLY 76 -7.110 14.111 5.746 630 2HA GLY 76 2HA GLY 76 -8.051 13.103 4.657 Start of MODEL 15 1 1H MET 1 1H MET 1 1.961 -19.965 -1.718 2 2H MET 1 2H MET 1 3.271 -19.635 -0.661 3 3H MET 1 3H MET 1 3.096 -21.196 -1.355 4 HA MET 1 HA MET 1 4.511 -20.523 -2.852 5 1HB MET 1 1HB MET 1 3.486 -19.471 -4.749 6 2HB MET 1 2HB MET 1 2.269 -20.476 -3.976 7 1HG MET 1 1HG MET 1 1.592 -18.300 -2.757 8 2HG MET 1 2HG MET 1 2.491 -17.501 -4.046 9 1HE MET 1 1HE MET 1 -0.044 -16.234 -5.095 10 2HE MET 1 2HE MET 1 -0.195 -16.779 -3.424 11 3HE MET 1 3HE MET 1 -1.438 -17.197 -4.603 12 H GLN 2 H GLN 2 5.550 -18.608 -4.057 13 HA GLN 2 HA GLN 2 6.144 -16.555 -2.054 14 1HB GLN 2 1HB GLN 2 7.744 -18.072 -3.834 15 2HB GLN 2 2HB GLN 2 7.850 -16.396 -4.349 16 1HG GLN 2 1HG GLN 2 9.427 -16.171 -2.810 17 2HG GLN 2 2HG GLN 2 8.128 -16.227 -1.619 18 1HE2 GLN 2 1HE2 GLN 2 10.387 -16.974 -0.626 19 2HE2 GLN 2 2HE2 GLN 2 10.539 -18.690 -0.492 20 H LEU 3 H LEU 3 5.996 -14.380 -2.469 21 HA LEU 3 HA LEU 3 4.848 -13.582 -5.057 22 1HB LEU 3 1HB LEU 3 3.968 -12.547 -2.361 23 2HB LEU 3 2HB LEU 3 3.346 -12.035 -3.919 24 HG LEU 3 HG LEU 3 3.065 -14.825 -2.800 25 1HD1 LEU 3 1HD1 LEU 3 0.732 -13.043 -3.138 26 2HD1 LEU 3 2HD1 LEU 3 1.805 -12.703 -1.780 27 3HD1 LEU 3 3HD1 LEU 3 1.045 -14.289 -1.931 28 1HD2 LEU 3 1HD2 LEU 3 2.777 -15.227 -5.005 29 2HD2 LEU 3 2HD2 LEU 3 2.397 -13.545 -5.374 30 3HD2 LEU 3 3HD2 LEU 3 1.164 -14.596 -4.677 31 H PHE 4 H PHE 4 5.516 -11.623 -5.862 32 HA PHE 4 HA PHE 4 7.714 -10.339 -4.388 33 1HB PHE 4 1HB PHE 4 7.131 -10.571 -7.337 34 2HB PHE 4 2HB PHE 4 8.302 -9.420 -6.702 35 HD1 PHE 4 HD1 PHE 4 10.365 -10.203 -5.636 36 HD2 PHE 4 HD2 PHE 4 7.598 -12.917 -7.415 37 HE1 PHE 4 HE1 PHE 4 12.094 -11.960 -5.635 38 HE2 PHE 4 HE2 PHE 4 9.321 -14.680 -7.416 39 HZ PHE 4 HZ PHE 4 11.573 -14.202 -6.525 40 H VAL 5 H VAL 5 7.656 -8.207 -3.917 41 HA VAL 5 HA VAL 5 5.408 -6.623 -4.963 42 HB VAL 5 HB VAL 5 6.371 -6.244 -2.149 43 1HG1 VAL 5 1HG1 VAL 5 3.816 -5.616 -2.055 44 2HG1 VAL 5 2HG1 VAL 5 4.031 -5.424 -3.795 45 3HG1 VAL 5 3HG1 VAL 5 5.012 -4.478 -2.675 46 1HG2 VAL 5 1HG2 VAL 5 4.437 -7.674 -1.432 47 2HG2 VAL 5 2HG2 VAL 5 5.784 -8.553 -2.156 48 3HG2 VAL 5 3HG2 VAL 5 4.325 -8.242 -3.097 49 H LYS 6 H LYS 6 6.098 -4.857 -5.963 50 HA LYS 6 HA LYS 6 8.747 -3.788 -5.266 51 1HB LYS 6 1HB LYS 6 8.630 -2.688 -7.518 52 2HB LYS 6 2HB LYS 6 8.663 -4.445 -7.563 53 1HG LYS 6 1HG LYS 6 6.681 -4.561 -8.571 54 2HG LYS 6 2HG LYS 6 5.962 -3.370 -7.485 55 1HD LYS 6 1HD LYS 6 5.910 -2.506 -9.729 56 2HD LYS 6 2HD LYS 6 7.081 -1.580 -8.789 57 1HE LYS 6 1HE LYS 6 8.907 -2.832 -9.763 58 2HE LYS 6 2HE LYS 6 7.772 -3.872 -10.622 59 1HZ LYS 6 1HZ LYS 6 8.604 -2.238 -12.126 60 2HZ LYS 6 2HZ LYS 6 8.221 -0.974 -11.070 61 3HZ LYS 6 3HZ LYS 6 6.985 -1.863 -11.805 62 H THR 7 H THR 7 9.046 -1.509 -5.147 63 HA THR 7 HA THR 7 6.611 -0.093 -4.308 64 HB THR 7 HB THR 7 8.315 1.481 -3.217 65 HG1 THR 7 HG1 THR 7 10.345 0.504 -2.827 66 1HG2 THR 7 1HG2 THR 7 8.930 -0.346 -1.441 67 2HG2 THR 7 2HG2 THR 7 7.745 -1.295 -2.338 68 3HG2 THR 7 3HG2 THR 7 7.277 0.243 -1.613 69 H LEU 8 H LEU 8 7.253 2.480 -4.454 70 HA LEU 8 HA LEU 8 7.190 3.001 -7.279 71 1HB LEU 8 1HB LEU 8 7.167 4.860 -4.903 72 2HB LEU 8 2HB LEU 8 6.965 5.378 -6.566 73 HG LEU 8 HG LEU 8 5.058 3.971 -4.772 74 1HD1 LEU 8 1HD1 LEU 8 5.240 6.433 -6.182 75 2HD1 LEU 8 2HD1 LEU 8 3.985 5.886 -5.069 76 3HD1 LEU 8 3HD1 LEU 8 3.848 5.537 -6.793 77 1HD2 LEU 8 1HD2 LEU 8 3.806 3.012 -6.554 78 2HD2 LEU 8 2HD2 LEU 8 5.461 2.419 -6.694 79 3HD2 LEU 8 3HD2 LEU 8 4.890 3.698 -7.764 80 H THR 9 H THR 9 9.693 2.419 -5.244 81 HA THR 9 HA THR 9 11.493 4.268 -6.664 82 HB THR 9 HB THR 9 12.912 4.322 -4.796 83 HG1 THR 9 HG1 THR 9 12.618 2.850 -3.034 84 1HG2 THR 9 1HG2 THR 9 11.635 5.469 -3.397 85 2HG2 THR 9 2HG2 THR 9 10.678 4.046 -2.985 86 3HG2 THR 9 3HG2 THR 9 10.266 5.006 -4.406 87 H GLY 10 H GLY 10 10.534 1.071 -6.448 88 1HA GLY 10 1HA GLY 10 11.423 -0.515 -8.028 89 2HA GLY 10 2HA GLY 10 13.004 0.216 -7.808 90 H LYS 11 H LYS 11 11.936 0.152 -4.790 91 HA LYS 11 HA LYS 11 13.562 -2.018 -4.005 92 1HB LYS 11 1HB LYS 11 12.380 0.139 -2.742 93 2HB LYS 11 2HB LYS 11 11.537 -1.240 -2.050 94 1HG LYS 11 1HG LYS 11 13.963 -2.185 -1.758 95 2HG LYS 11 2HG LYS 11 14.406 -0.479 -1.856 96 1HD LYS 11 1HD LYS 11 14.063 -0.595 0.383 97 2HD LYS 11 2HD LYS 11 12.396 -0.287 -0.109 98 1HE LYS 11 1HE LYS 11 11.776 -2.198 0.831 99 2HE LYS 11 2HE LYS 11 12.827 -3.076 -0.280 100 1HZ LYS 11 1HZ LYS 11 14.623 -2.916 1.260 101 2HZ LYS 11 2HZ LYS 11 13.280 -3.513 2.099 102 3HZ LYS 11 3HZ LYS 11 13.742 -1.897 2.285 103 H THR 12 H THR 12 12.969 -3.970 -4.840 104 HA THR 12 HA THR 12 10.216 -4.882 -4.549 105 HB THR 12 HB THR 12 12.440 -6.549 -5.679 106 HG1 THR 12 HG1 THR 12 12.657 -4.576 -6.722 107 1HG2 THR 12 1HG2 THR 12 10.773 -7.870 -6.260 108 2HG2 THR 12 2HG2 THR 12 10.137 -6.581 -7.282 109 3HG2 THR 12 3HG2 THR 12 9.597 -6.728 -5.610 110 H LEU 13 H LEU 13 9.627 -6.762 -3.420 111 HA LEU 13 HA LEU 13 11.635 -7.818 -1.550 112 1HB LEU 13 1HB LEU 13 9.140 -6.414 -0.950 113 2HB LEU 13 2HB LEU 13 9.281 -7.959 -0.132 114 HG LEU 13 HG LEU 13 11.588 -6.071 -0.004 115 1HD1 LEU 13 1HD1 LEU 13 10.433 -5.220 2.153 116 2HD1 LEU 13 2HD1 LEU 13 8.944 -5.708 1.343 117 3HD1 LEU 13 3HD1 LEU 13 9.998 -4.504 0.600 118 1HD2 LEU 13 1HD2 LEU 13 11.225 -8.527 0.984 119 2HD2 LEU 13 2HD2 LEU 13 10.559 -7.584 2.316 120 3HD2 LEU 13 3HD2 LEU 13 12.216 -7.307 1.783 121 H THR 14 H THR 14 10.996 -9.906 -0.579 122 HA THR 14 HA THR 14 9.227 -11.454 -2.353 123 HB THR 14 HB THR 14 11.793 -12.482 -1.130 124 HG1 THR 14 HG1 THR 14 12.607 -12.316 -3.261 125 1HG2 THR 14 1HG2 THR 14 9.986 -13.635 -3.241 126 2HG2 THR 14 2HG2 THR 14 10.257 -14.267 -1.616 127 3HG2 THR 14 3HG2 THR 14 11.569 -14.275 -2.795 128 H VAL 15 H VAL 15 7.508 -11.994 -1.181 129 HA VAL 15 HA VAL 15 7.926 -12.857 1.607 130 HB VAL 15 HB VAL 15 5.347 -12.369 1.702 131 1HG1 VAL 15 1HG1 VAL 15 7.712 -10.715 2.127 132 2HG1 VAL 15 2HG1 VAL 15 6.332 -11.014 3.183 133 3HG1 VAL 15 3HG1 VAL 15 6.229 -9.782 1.925 134 1HG2 VAL 15 1HG2 VAL 15 4.644 -10.528 0.294 135 2HG2 VAL 15 2HG2 VAL 15 5.157 -11.885 -0.709 136 3HG2 VAL 15 3HG2 VAL 15 6.221 -10.495 -0.494 137 H GLU 16 H GLU 16 6.038 -14.334 2.345 138 HA GLU 16 HA GLU 16 5.468 -16.298 0.225 139 1HB GLU 16 1HB GLU 16 5.658 -18.042 2.064 140 2HB GLU 16 2HB GLU 16 7.163 -17.314 1.520 141 1HG GLU 16 1HG GLU 16 7.618 -16.889 3.642 142 2HG GLU 16 2HG GLU 16 6.323 -15.692 3.609 143 H LEU 17 H LEU 17 3.372 -16.626 -0.065 144 HA LEU 17 HA LEU 17 1.562 -16.673 2.209 145 1HB LEU 17 1HB LEU 17 1.135 -14.818 -0.134 146 2HB LEU 17 2HB LEU 17 -0.026 -15.123 1.143 147 HG LEU 17 HG LEU 17 2.657 -14.140 1.960 148 1HD1 LEU 17 1HD1 LEU 17 2.548 -12.476 0.441 149 2HD1 LEU 17 2HD1 LEU 17 1.415 -11.786 1.604 150 3HD1 LEU 17 3HD1 LEU 17 0.811 -12.663 0.198 151 1HD2 LEU 17 1HD2 LEU 17 0.195 -12.915 2.972 152 2HD2 LEU 17 2HD2 LEU 17 1.586 -13.563 3.842 153 3HD2 LEU 17 3HD2 LEU 17 0.324 -14.651 3.260 154 H GLU 18 H GLU 18 -0.793 -17.057 1.234 155 HA GLU 18 HA GLU 18 -0.495 -19.193 -0.773 156 1HB GLU 18 1HB GLU 18 -2.765 -19.048 1.188 157 2HB GLU 18 2HB GLU 18 -2.161 -20.443 0.304 158 1HG GLU 18 1HG GLU 18 -0.484 -19.059 2.363 159 2HG GLU 18 2HG GLU 18 -1.673 -20.282 2.810 160 HA PRO 19 HA PRO 19 -3.281 -17.176 -3.510 161 1HB PRO 19 1HB PRO 19 -4.802 -19.270 -4.404 162 2HB PRO 19 2HB PRO 19 -3.153 -18.951 -4.951 163 1HG PRO 19 1HG PRO 19 -4.126 -20.892 -2.892 164 2HG PRO 19 2HG PRO 19 -2.890 -21.113 -4.144 165 1HD PRO 19 1HD PRO 19 -2.247 -20.629 -1.572 166 2HD PRO 19 2HD PRO 19 -1.272 -20.005 -2.918 167 H SER 20 H SER 20 -4.526 -19.087 -0.896 168 HA SER 20 HA SER 20 -7.245 -18.139 -1.216 169 1HB SER 20 1HB SER 20 -7.630 -19.399 0.925 170 2HB SER 20 2HB SER 20 -6.985 -20.385 -0.386 171 HG SER 20 HG SER 20 -5.830 -20.826 1.477 172 H ASP 21 H ASP 21 -4.374 -17.112 0.304 173 HA ASP 21 HA ASP 21 -5.255 -15.802 2.580 174 1HB ASP 21 1HB ASP 21 -3.041 -15.179 0.634 175 2HB ASP 21 2HB ASP 21 -3.322 -14.185 2.060 176 H THR 22 H THR 22 -5.494 -13.431 2.903 177 HA THR 22 HA THR 22 -7.142 -12.292 0.747 178 HB THR 22 HB THR 22 -8.511 -11.299 2.328 179 HG1 THR 22 HG1 THR 22 -7.449 -10.190 3.756 180 1HG2 THR 22 1HG2 THR 22 -7.887 -13.985 2.840 181 2HG2 THR 22 2HG2 THR 22 -9.357 -13.108 3.263 182 3HG2 THR 22 3HG2 THR 22 -8.017 -13.186 4.408 183 H VAL 23 H VAL 23 -7.060 -9.981 0.419 184 HA VAL 23 HA VAL 23 -4.533 -8.961 0.019 185 HB VAL 23 HB VAL 23 -6.938 -7.232 0.588 186 1HG1 VAL 23 1HG1 VAL 23 -5.052 -6.564 -1.564 187 2HG1 VAL 23 2HG1 VAL 23 -4.385 -6.493 0.067 188 3HG1 VAL 23 3HG1 VAL 23 -5.803 -5.531 -0.349 189 1HG2 VAL 23 1HG2 VAL 23 -6.360 -9.051 -1.677 190 2HG2 VAL 23 2HG2 VAL 23 -7.002 -7.456 -2.072 191 3HG2 VAL 23 3HG2 VAL 23 -7.906 -8.531 -1.004 192 H GLU 24 H GLU 24 -6.572 -8.754 2.866 193 HA GLU 24 HA GLU 24 -5.142 -6.772 4.255 194 1HB GLU 24 1HB GLU 24 -7.445 -7.838 4.780 195 2HB GLU 24 2HB GLU 24 -6.515 -9.062 5.633 196 1HG GLU 24 1HG GLU 24 -5.568 -6.525 6.459 197 2HG GLU 24 2HG GLU 24 -7.329 -6.502 6.533 198 H ASN 25 H ASN 25 -4.833 -10.301 4.201 199 HA ASN 25 HA ASN 25 -2.852 -10.558 6.157 200 1HB ASN 25 1HB ASN 25 -3.325 -12.245 3.687 201 2HB ASN 25 2HB ASN 25 -2.313 -12.714 5.050 202 1HD2 ASN 25 1HD2 ASN 25 -3.269 -13.281 6.993 203 2HD2 ASN 25 2HD2 ASN 25 -4.953 -13.642 7.124 204 H LEU 26 H LEU 26 -2.549 -10.186 2.632 205 HA LEU 26 HA LEU 26 0.236 -10.259 2.476 206 1HB LEU 26 1HB LEU 26 -0.771 -10.365 0.411 207 2HB LEU 26 2HB LEU 26 -1.933 -9.109 0.792 208 HG LEU 26 HG LEU 26 -0.352 -7.383 0.394 209 1HD1 LEU 26 1HD1 LEU 26 1.599 -9.549 0.796 210 2HD1 LEU 26 2HD1 LEU 26 1.696 -7.837 1.207 211 3HD1 LEU 26 3HD1 LEU 26 2.014 -8.367 -0.445 212 1HD2 LEU 26 1HD2 LEU 26 0.110 -7.657 -1.902 213 2HD2 LEU 26 2HD2 LEU 26 -1.340 -8.610 -1.589 214 3HD2 LEU 26 3HD2 LEU 26 0.223 -9.410 -1.750 215 H LYS 27 H LYS 27 -1.897 -7.409 2.668 216 HA LYS 27 HA LYS 27 0.065 -5.455 2.806 217 1HB LYS 27 1HB LYS 27 -2.719 -5.595 3.942 218 2HB LYS 27 2HB LYS 27 -1.712 -4.170 4.158 219 1HG LYS 27 1HG LYS 27 -1.886 -3.543 1.990 220 2HG LYS 27 2HG LYS 27 -2.003 -5.203 1.403 221 1HD LYS 27 1HD LYS 27 -4.273 -5.329 1.812 222 2HD LYS 27 2HD LYS 27 -4.229 -4.048 3.026 223 1HE LYS 27 1HE LYS 27 -3.357 -2.976 0.534 224 2HE LYS 27 2HE LYS 27 -4.867 -3.849 0.272 225 1HZ LYS 27 1HZ LYS 27 -4.782 -1.337 1.084 226 2HZ LYS 27 2HZ LYS 27 -4.765 -2.097 2.595 227 3HZ LYS 27 3HZ LYS 27 -6.033 -2.392 1.515 228 H ALA 28 H ALA 28 -1.390 -7.374 5.400 229 HA ALA 28 HA ALA 28 -0.261 -6.142 7.605 230 1HB ALA 28 1HB ALA 28 -1.800 -7.774 8.150 231 2HB ALA 28 2HB ALA 28 -0.281 -8.575 8.551 232 3HB ALA 28 3HB ALA 28 -1.104 -8.952 7.038 233 H LYS 29 H LYS 29 1.105 -8.629 5.486 234 HA LYS 29 HA LYS 29 3.497 -9.048 6.890 235 1HB LYS 29 1HB LYS 29 2.921 -9.289 3.931 236 2HB LYS 29 2HB LYS 29 4.372 -9.896 4.717 237 1HG LYS 29 1HG LYS 29 1.909 -10.826 5.969 238 2HG LYS 29 2HG LYS 29 2.074 -11.315 4.280 239 1HD LYS 29 1HD LYS 29 4.005 -12.527 4.682 240 2HD LYS 29 2HD LYS 29 4.379 -11.635 6.159 241 1HE LYS 29 1HE LYS 29 2.213 -13.692 5.767 242 2HE LYS 29 2HE LYS 29 3.661 -13.843 6.761 243 1HZ LYS 29 1HZ LYS 29 2.778 -11.922 8.076 244 2HZ LYS 29 2HZ LYS 29 1.878 -13.348 8.205 245 3HZ LYS 29 3HZ LYS 29 1.322 -12.084 7.229 246 H ILE 30 H ILE 30 2.667 -6.778 4.300 247 HA ILE 30 HA ILE 30 5.261 -5.650 4.059 248 HB ILE 30 HB ILE 30 2.667 -4.265 3.396 249 1HG1 ILE 30 1HG1 ILE 30 4.228 -6.321 1.827 250 2HG1 ILE 30 2HG1 ILE 30 2.544 -6.407 2.332 251 1HG2 ILE 30 1HG2 ILE 30 5.278 -4.024 1.946 252 2HG2 ILE 30 2HG2 ILE 30 4.933 -3.058 3.381 253 3HG2 ILE 30 3HG2 ILE 30 3.905 -2.917 1.955 254 1HD1 ILE 30 1HD1 ILE 30 3.436 -4.218 0.518 255 2HD1 ILE 30 2HD1 ILE 30 1.841 -4.949 0.699 256 3HD1 ILE 30 3HD1 ILE 30 3.128 -5.833 -0.121 257 H GLN 31 H GLN 31 2.799 -5.313 6.391 258 HA GLN 31 HA GLN 31 3.650 -2.675 7.265 259 1HB GLN 31 1HB GLN 31 1.277 -3.196 7.367 260 2HB GLN 31 2HB GLN 31 1.598 -4.593 8.386 261 1HG GLN 31 1HG GLN 31 2.416 -3.122 10.153 262 2HG GLN 31 2HG GLN 31 2.102 -1.720 9.132 263 1HE2 GLN 31 1HE2 GLN 31 0.588 -0.754 10.388 264 2HE2 GLN 31 2HE2 GLN 31 -0.963 -1.436 10.725 265 H ASP 32 H ASP 32 4.240 -5.999 8.006 266 HA ASP 32 HA ASP 32 5.434 -5.391 10.586 267 1HB ASP 32 1HB ASP 32 4.301 -7.696 9.385 268 2HB ASP 32 2HB ASP 32 5.976 -8.059 9.782 269 H LYS 33 H LYS 33 6.371 -5.503 7.347 270 HA LYS 33 HA LYS 33 9.199 -5.864 8.090 271 1HB LYS 33 1HB LYS 33 7.652 -6.554 5.631 272 2HB LYS 33 2HB LYS 33 9.352 -6.137 5.463 273 1HG LYS 33 1HG LYS 33 9.272 -7.951 7.571 274 2HG LYS 33 2HG LYS 33 8.138 -8.586 6.376 275 1HD LYS 33 1HD LYS 33 9.796 -8.694 4.707 276 2HD LYS 33 2HD LYS 33 10.901 -7.667 5.626 277 1HE LYS 33 1HE LYS 33 11.763 -9.828 5.877 278 2HE LYS 33 2HE LYS 33 10.891 -9.523 7.378 279 1HZ LYS 33 1HZ LYS 33 9.574 -11.243 6.987 280 2HZ LYS 33 2HZ LYS 33 10.548 -11.653 5.667 281 3HZ LYS 33 3HZ LYS 33 9.180 -10.687 5.437 282 H GLU 34 H GLU 34 7.150 -4.092 5.770 283 HA GLU 34 HA GLU 34 9.178 -2.012 5.558 284 1HB GLU 34 1HB GLU 34 6.549 -2.420 4.123 285 2HB GLU 34 2HB GLU 34 7.632 -1.066 3.831 286 1HG GLU 34 1HG GLU 34 9.397 -2.920 3.387 287 2HG GLU 34 2HG GLU 34 7.983 -3.949 3.159 288 H GLY 35 H GLY 35 6.671 -2.678 7.603 289 1HA GLY 35 1HA GLY 35 5.552 -1.422 9.166 290 2HA GLY 35 2HA GLY 35 6.730 -0.157 8.850 291 H ILE 36 H ILE 36 4.795 -1.361 6.239 292 HA ILE 36 HA ILE 36 3.493 1.247 6.051 293 HB ILE 36 HB ILE 36 3.182 -0.910 3.998 294 1HG1 ILE 36 1HG1 ILE 36 5.540 0.980 4.157 295 2HG1 ILE 36 2HG1 ILE 36 5.611 -0.729 4.576 296 1HG2 ILE 36 1HG2 ILE 36 2.901 0.914 2.490 297 2HG2 ILE 36 2HG2 ILE 36 3.452 2.073 3.699 298 3HG2 ILE 36 3HG2 ILE 36 1.910 1.244 3.911 299 1HD1 ILE 36 1HD1 ILE 36 4.534 -0.800 2.072 300 2HD1 ILE 36 2HD1 ILE 36 6.240 -1.018 2.462 301 3HD1 ILE 36 3HD1 ILE 36 5.643 0.566 1.969 302 HA PRO 37 HA PRO 37 -0.242 -0.610 7.626 303 1HB PRO 37 1HB PRO 37 -1.741 1.620 7.659 304 2HB PRO 37 2HB PRO 37 -0.440 1.350 8.823 305 1HG PRO 37 1HG PRO 37 -0.463 3.040 6.357 306 2HG PRO 37 2HG PRO 37 0.259 3.377 7.941 307 1HD PRO 37 1HD PRO 37 1.662 2.473 5.749 308 2HD PRO 37 2HD PRO 37 2.181 2.250 7.430 309 HA PRO 38 HA PRO 38 -2.456 -1.658 3.937 310 1HB PRO 38 1HB PRO 38 -4.749 -2.008 5.790 311 2HB PRO 38 2HB PRO 38 -4.031 -3.159 4.659 312 1HG PRO 38 1HG PRO 38 -3.636 -3.386 7.290 313 2HG PRO 38 2HG PRO 38 -2.344 -3.755 6.132 314 1HD PRO 38 1HD PRO 38 -2.720 -1.336 7.849 315 2HD PRO 38 2HD PRO 38 -1.226 -2.190 7.411 316 H ASP 39 H ASP 39 -3.479 0.754 6.203 317 HA ASP 39 HA ASP 39 -5.718 1.722 4.730 318 1HB ASP 39 1HB ASP 39 -5.334 3.791 6.217 319 2HB ASP 39 2HB ASP 39 -5.743 2.273 7.011 320 H GLN 40 H GLN 40 -2.286 2.417 4.742 321 HA GLN 40 HA GLN 40 -2.703 4.533 2.746 322 1HB GLN 40 1HB GLN 40 -0.194 3.883 4.301 323 2HB GLN 40 2HB GLN 40 -0.443 5.270 3.249 324 1HG GLN 40 1HG GLN 40 -2.518 5.271 5.172 325 2HG GLN 40 2HG GLN 40 -0.995 5.010 6.021 326 1HE2 GLN 40 1HE2 GLN 40 -0.472 6.899 6.877 327 2HE2 GLN 40 2HE2 GLN 40 -0.404 8.405 6.033 328 H GLN 41 H GLN 41 -2.209 1.321 2.803 329 HA GLN 41 HA GLN 41 -0.171 1.201 0.731 330 1HB GLN 41 1HB GLN 41 -1.424 -0.694 2.588 331 2HB GLN 41 2HB GLN 41 -1.144 -1.351 0.981 332 1HG GLN 41 1HG GLN 41 1.234 -0.525 1.203 333 2HG GLN 41 2HG GLN 41 0.871 -0.232 2.903 334 1HE2 GLN 41 1HE2 GLN 41 0.539 -1.970 4.279 335 2HE2 GLN 41 2HE2 GLN 41 0.986 -3.583 3.852 336 H ARG 42 H ARG 42 -0.535 0.893 -1.383 337 HA ARG 42 HA ARG 42 -3.283 0.305 -2.256 338 1HB ARG 42 1HB ARG 42 -2.325 2.773 -2.481 339 2HB ARG 42 2HB ARG 42 -1.571 2.095 -3.917 340 1HG ARG 42 1HG ARG 42 -3.543 1.865 -5.017 341 2HG ARG 42 2HG ARG 42 -4.466 1.597 -3.536 342 1HD ARG 42 1HD ARG 42 -4.757 3.824 -3.148 343 2HD ARG 42 2HD ARG 42 -3.241 4.269 -3.928 344 HE ARG 42 HE ARG 42 -5.821 4.114 -5.147 345 1HH1 ARG 42 1HH1 ARG 42 -2.524 4.156 -7.417 346 2HH1 ARG 42 2HH1 ARG 42 -2.404 3.782 -5.729 347 1HH2 ARG 42 1HH2 ARG 42 -5.990 4.609 -7.367 348 2HH2 ARG 42 2HH2 ARG 42 -4.562 4.628 -8.348 349 H LEU 43 H LEU 43 -2.920 -1.803 -2.809 350 HA LEU 43 HA LEU 43 -0.639 -2.491 -4.476 351 1HB LEU 43 1HB LEU 43 -2.824 -4.387 -3.690 352 2HB LEU 43 2HB LEU 43 -1.142 -4.735 -4.046 353 HG LEU 43 HG LEU 43 -1.868 -3.093 -1.645 354 1HD1 LEU 43 1HD1 LEU 43 -1.395 -5.821 -0.944 355 2HD1 LEU 43 2HD1 LEU 43 -2.751 -5.731 -2.067 356 3HD1 LEU 43 3HD1 LEU 43 -2.783 -4.800 -0.570 357 1HD2 LEU 43 1HD2 LEU 43 0.347 -3.085 -1.465 358 2HD2 LEU 43 2HD2 LEU 43 0.516 -4.230 -2.796 359 3HD2 LEU 43 3HD2 LEU 43 0.266 -4.820 -1.153 360 H ILE 44 H ILE 44 -0.721 -3.067 -6.592 361 HA ILE 44 HA ILE 44 -3.337 -3.190 -7.912 362 HB ILE 44 HB ILE 44 -1.045 -1.605 -9.063 363 1HG1 ILE 44 1HG1 ILE 44 -3.530 -0.329 -7.983 364 2HG1 ILE 44 2HG1 ILE 44 -2.220 -0.732 -6.878 365 1HG2 ILE 44 1HG2 ILE 44 -3.956 -1.571 -9.820 366 2HG2 ILE 44 2HG2 ILE 44 -2.769 -2.629 -10.586 367 3HG2 ILE 44 3HG2 ILE 44 -2.595 -0.877 -10.702 368 1HD1 ILE 44 1HD1 ILE 44 -1.988 1.036 -9.300 369 2HD1 ILE 44 2HD1 ILE 44 -0.693 0.649 -8.168 370 3HD1 ILE 44 3HD1 ILE 44 -2.090 1.578 -7.624 371 H PHE 45 H PHE 45 -3.489 -4.859 -9.264 372 HA PHE 45 HA PHE 45 -0.994 -6.126 -10.191 373 1HB PHE 45 1HB PHE 45 -2.567 -7.362 -8.523 374 2HB PHE 45 2HB PHE 45 -3.588 -7.617 -9.936 375 HD1 PHE 45 HD1 PHE 45 0.086 -7.801 -9.261 376 HD2 PHE 45 HD2 PHE 45 -3.396 -9.729 -10.793 377 HE1 PHE 45 HE1 PHE 45 1.450 -9.755 -9.892 378 HE2 PHE 45 HE2 PHE 45 -2.039 -11.687 -11.425 379 HZ PHE 45 HZ PHE 45 0.387 -11.701 -10.974 380 H ALA 46 H ALA 46 -0.676 -5.709 -12.271 381 HA ALA 46 HA ALA 46 -1.070 -5.228 -14.471 382 1HB ALA 46 1HB ALA 46 -1.564 -7.188 -15.386 383 2HB ALA 46 2HB ALA 46 -3.262 -6.988 -14.958 384 3HB ALA 46 3HB ALA 46 -2.151 -7.754 -13.823 385 H GLY 47 H GLY 47 -2.302 -3.365 -12.889 386 1HA GLY 47 1HA GLY 47 -3.777 -1.617 -13.202 387 2HA GLY 47 2HA GLY 47 -4.375 -2.434 -14.637 388 H LYS 48 H LYS 48 -4.302 -4.102 -11.594 389 HA LYS 48 HA LYS 48 -7.220 -3.763 -11.370 390 1HB LYS 48 1HB LYS 48 -6.127 -6.070 -12.134 391 2HB LYS 48 2HB LYS 48 -5.947 -6.273 -10.397 392 1HG LYS 48 1HG LYS 48 -8.128 -6.652 -10.096 393 2HG LYS 48 2HG LYS 48 -8.603 -5.368 -11.210 394 1HD LYS 48 1HD LYS 48 -7.419 -7.884 -12.295 395 2HD LYS 48 2HD LYS 48 -9.106 -7.877 -11.776 396 1HE LYS 48 1HE LYS 48 -8.753 -5.548 -13.300 397 2HE LYS 48 2HE LYS 48 -7.933 -6.835 -14.184 398 1HZ LYS 48 1HZ LYS 48 -10.757 -6.443 -13.688 399 2HZ LYS 48 2HZ LYS 48 -10.221 -8.036 -13.497 400 3HZ LYS 48 3HZ LYS 48 -9.980 -7.236 -14.966 401 H GLN 49 H GLN 49 -7.180 -2.225 -9.773 402 HA GLN 49 HA GLN 49 -5.516 -2.244 -7.513 403 1HB GLN 49 1HB GLN 49 -7.450 -0.553 -8.566 404 2HB GLN 49 2HB GLN 49 -8.130 -1.056 -7.024 405 1HG GLN 49 1HG GLN 49 -6.813 0.350 -5.947 406 2HG GLN 49 2HG GLN 49 -5.382 -0.402 -6.650 407 1HE2 GLN 49 1HE2 GLN 49 -8.040 1.631 -7.846 408 2HE2 GLN 49 2HE2 GLN 49 -7.026 2.788 -8.633 409 H LEU 50 H LEU 50 -5.471 -3.594 -5.853 410 HA LEU 50 HA LEU 50 -7.493 -5.557 -5.431 411 1HB LEU 50 1HB LEU 50 -5.286 -4.807 -3.522 412 2HB LEU 50 2HB LEU 50 -6.139 -6.336 -3.619 413 HG LEU 50 HG LEU 50 -4.064 -5.240 -5.495 414 1HD1 LEU 50 1HD1 LEU 50 -3.573 -7.896 -4.977 415 2HD1 LEU 50 2HD1 LEU 50 -4.204 -7.295 -3.442 416 3HD1 LEU 50 3HD1 LEU 50 -2.801 -6.523 -4.182 417 1HD2 LEU 50 1HD2 LEU 50 -6.335 -6.952 -6.119 418 2HD2 LEU 50 2HD2 LEU 50 -4.782 -7.691 -6.509 419 3HD2 LEU 50 3HD2 LEU 50 -5.209 -6.125 -7.195 420 H GLU 51 H GLU 51 -8.818 -5.839 -3.580 421 HA GLU 51 HA GLU 51 -9.346 -3.367 -2.069 422 1HB GLU 51 1HB GLU 51 -11.412 -5.328 -3.085 423 2HB GLU 51 2HB GLU 51 -11.739 -3.889 -2.128 424 1HG GLU 51 1HG GLU 51 -11.447 -2.482 -3.883 425 2HG GLU 51 2HG GLU 51 -10.266 -3.527 -4.670 426 H ASP 52 H ASP 52 -9.138 -3.618 0.048 427 HA ASP 52 HA ASP 52 -8.406 -5.930 1.339 428 1HB ASP 52 1HB ASP 52 -8.178 -3.714 2.350 429 2HB ASP 52 2HB ASP 52 -9.928 -3.585 2.498 430 H GLY 53 H GLY 53 -9.462 -7.801 1.410 431 1HA GLY 53 1HA GLY 53 -11.402 -8.762 2.755 432 2HA GLY 53 2HA GLY 53 -12.394 -7.744 1.723 433 H ARG 54 H ARG 54 -10.306 -8.422 -0.465 434 HA ARG 54 HA ARG 54 -11.732 -10.792 -1.388 435 1HB ARG 54 1HB ARG 54 -9.672 -9.301 -2.985 436 2HB ARG 54 2HB ARG 54 -11.047 -10.235 -3.558 437 1HG ARG 54 1HG ARG 54 -11.311 -7.650 -2.044 438 2HG ARG 54 2HG ARG 54 -11.261 -7.756 -3.805 439 1HD ARG 54 1HD ARG 54 -13.407 -8.329 -3.898 440 2HD ARG 54 2HD ARG 54 -13.164 -9.629 -2.732 441 HE ARG 54 HE ARG 54 -13.316 -7.004 -1.556 442 1HH1 ARG 54 1HH1 ARG 54 -16.470 -9.471 -1.592 443 2HH1 ARG 54 2HH1 ARG 54 -15.113 -9.791 -2.621 444 1HH2 ARG 54 1HH2 ARG 54 -15.096 -6.574 -0.197 445 2HH2 ARG 54 2HH2 ARG 54 -16.459 -7.641 -0.214 446 H THR 55 H THR 55 -10.431 -12.453 -2.599 447 HA THR 55 HA THR 55 -8.025 -13.100 -1.037 448 HB THR 55 HB THR 55 -8.446 -15.445 -1.770 449 HG1 THR 55 HG1 THR 55 -10.024 -15.904 -3.091 450 1HG2 THR 55 1HG2 THR 55 -9.360 -14.644 0.377 451 2HG2 THR 55 2HG2 THR 55 -10.333 -15.912 -0.369 452 3HG2 THR 55 3HG2 THR 55 -10.860 -14.231 -0.452 453 H LEU 56 H LEU 56 -6.116 -13.621 -2.027 454 HA LEU 56 HA LEU 56 -5.354 -12.427 -4.353 455 1HB LEU 56 1HB LEU 56 -4.298 -14.970 -3.124 456 2HB LEU 56 2HB LEU 56 -3.505 -14.137 -4.446 457 HG LEU 56 HG LEU 56 -3.985 -13.008 -1.688 458 1HD1 LEU 56 1HD1 LEU 56 -1.576 -13.166 -1.431 459 2HD1 LEU 56 2HD1 LEU 56 -1.435 -13.881 -3.037 460 3HD1 LEU 56 3HD1 LEU 56 -2.269 -14.755 -1.752 461 1HD2 LEU 56 1HD2 LEU 56 -3.622 -11.666 -4.122 462 2HD2 LEU 56 2HD2 LEU 56 -2.069 -11.594 -3.289 463 3HD2 LEU 56 3HD2 LEU 56 -3.525 -10.992 -2.496 464 H SER 57 H SER 57 -6.770 -15.634 -3.984 465 HA SER 57 HA SER 57 -6.386 -16.530 -6.621 466 1HB SER 57 1HB SER 57 -7.172 -18.367 -5.602 467 2HB SER 57 2HB SER 57 -7.819 -17.411 -4.269 468 HG SER 57 HG SER 57 -9.492 -18.489 -5.336 469 H ASP 58 H ASP 58 -8.825 -14.489 -5.160 470 HA ASP 58 HA ASP 58 -10.774 -14.567 -7.159 471 1HB ASP 58 1HB ASP 58 -9.981 -12.393 -5.223 472 2HB ASP 58 2HB ASP 58 -11.359 -12.240 -6.310 473 H TYR 59 H TYR 59 -7.649 -13.144 -7.146 474 HA TYR 59 HA TYR 59 -8.281 -11.524 -9.511 475 1HB TYR 59 1HB TYR 59 -5.843 -11.517 -7.720 476 2HB TYR 59 2HB TYR 59 -6.059 -10.483 -9.128 477 HD1 TYR 59 HD1 TYR 59 -6.293 -10.579 -5.664 478 HD2 TYR 59 HD2 TYR 59 -8.405 -9.146 -9.078 479 HE1 TYR 59 HE1 TYR 59 -7.428 -8.910 -4.252 480 HE2 TYR 59 HE2 TYR 59 -9.545 -7.470 -7.677 481 HH TYR 59 HH TYR 59 -9.462 -6.409 -5.636 482 H ASN 60 H ASN 60 -7.955 -14.488 -9.430 483 HA ASN 60 HA ASN 60 -6.745 -16.177 -10.434 484 1HB ASN 60 1HB ASN 60 -6.324 -15.420 -12.949 485 2HB ASN 60 2HB ASN 60 -7.944 -15.744 -12.341 486 1HD2 ASN 60 1HD2 ASN 60 -9.005 -13.772 -11.317 487 2HD2 ASN 60 2HD2 ASN 60 -8.853 -12.291 -12.193 488 H LEU 61 H LEU 61 -4.960 -15.075 -8.845 489 HA LEU 61 HA LEU 61 -2.673 -14.067 -10.287 490 1HB LEU 61 1HB LEU 61 -3.446 -14.441 -7.476 491 2HB LEU 61 2HB LEU 61 -1.742 -14.697 -7.796 492 HG LEU 61 HG LEU 61 -2.658 -12.273 -9.075 493 1HD1 LEU 61 1HD1 LEU 61 -4.071 -12.731 -6.776 494 2HD1 LEU 61 2HD1 LEU 61 -3.730 -11.147 -7.472 495 3HD1 LEU 61 3HD1 LEU 61 -2.696 -11.791 -6.197 496 1HD2 LEU 61 1HD2 LEU 61 -0.728 -12.530 -6.792 497 2HD2 LEU 61 2HD2 LEU 61 -0.725 -11.366 -8.117 498 3HD2 LEU 61 3HD2 LEU 61 -0.316 -13.052 -8.426 499 H GLN 62 H GLN 62 -0.490 -15.116 -9.837 500 HA GLN 62 HA GLN 62 -0.705 -18.049 -9.934 501 1HB GLN 62 1HB GLN 62 1.326 -16.612 -11.603 502 2HB GLN 62 2HB GLN 62 0.661 -18.226 -11.809 503 1HG GLN 62 1HG GLN 62 -0.773 -17.437 -13.287 504 2HG GLN 62 2HG GLN 62 -1.483 -16.409 -12.044 505 1HE2 GLN 62 1HE2 GLN 62 -1.900 -14.706 -13.399 506 2HE2 GLN 62 2HE2 GLN 62 -0.657 -13.728 -14.096 507 H LYS 63 H LYS 63 1.910 -18.728 -10.129 508 HA LYS 63 HA LYS 63 2.869 -18.119 -7.485 509 1HB LYS 63 1HB LYS 63 3.033 -20.331 -9.007 510 2HB LYS 63 2HB LYS 63 4.592 -19.611 -9.383 511 1HG LYS 63 1HG LYS 63 5.346 -20.614 -7.552 512 2HG LYS 63 2HG LYS 63 4.441 -19.405 -6.638 513 1HD LYS 63 1HD LYS 63 3.095 -20.978 -5.831 514 2HD LYS 63 2HD LYS 63 2.661 -21.481 -7.466 515 1HE LYS 63 1HE LYS 63 3.789 -23.371 -7.182 516 2HE LYS 63 2HE LYS 63 5.269 -22.448 -6.927 517 1HZ LYS 63 1HZ LYS 63 4.842 -22.360 -4.600 518 2HZ LYS 63 2HZ LYS 63 4.683 -23.974 -5.081 519 3HZ LYS 63 3HZ LYS 63 3.304 -23.040 -4.784 520 H GLU 64 H GLU 64 4.447 -16.748 -6.911 521 HA GLU 64 HA GLU 64 5.985 -15.077 -7.040 522 1HB GLU 64 1HB GLU 64 6.895 -16.206 -9.672 523 2HB GLU 64 2HB GLU 64 7.851 -15.424 -8.421 524 1HG GLU 64 1HG GLU 64 8.421 -17.444 -7.725 525 2HG GLU 64 2HG GLU 64 6.761 -17.643 -7.166 526 H SER 65 H SER 65 4.055 -13.705 -7.442 527 HA SER 65 HA SER 65 3.954 -12.637 -10.176 528 1HB SER 65 1HB SER 65 2.028 -12.202 -7.881 529 2HB SER 65 2HB SER 65 1.816 -11.633 -9.536 530 HG SER 65 HG SER 65 2.314 -14.311 -9.398 531 H THR 66 H THR 66 3.779 -10.290 -10.433 532 HA THR 66 HA THR 66 5.401 -8.882 -8.420 533 HB THR 66 HB THR 66 5.105 -8.260 -11.364 534 HG1 THR 66 HG1 THR 66 6.969 -9.757 -9.908 535 1HG2 THR 66 1HG2 THR 66 7.420 -7.231 -9.909 536 2HG2 THR 66 2HG2 THR 66 5.879 -6.514 -9.439 537 3HG2 THR 66 3HG2 THR 66 6.400 -6.460 -11.123 538 H ILE 67 H ILE 67 4.078 -7.753 -7.139 539 HA ILE 67 HA ILE 67 1.813 -6.322 -8.350 540 HB ILE 67 HB ILE 67 2.350 -7.094 -5.483 541 1HG1 ILE 67 1HG1 ILE 67 -0.173 -7.836 -6.807 542 2HG1 ILE 67 2HG1 ILE 67 1.263 -8.578 -7.507 543 1HG2 ILE 67 1HG2 ILE 67 -0.026 -5.582 -6.550 544 2HG2 ILE 67 2HG2 ILE 67 1.321 -4.839 -5.689 545 3HG2 ILE 67 3HG2 ILE 67 0.296 -6.020 -4.872 546 1HD1 ILE 67 1HD1 ILE 67 1.702 -9.813 -5.644 547 2HD1 ILE 67 2HD1 ILE 67 -0.057 -9.729 -5.560 548 3HD1 ILE 67 3HD1 ILE 67 0.926 -8.660 -4.559 549 H HIS 68 H HIS 68 1.695 -4.146 -8.317 550 HA HIS 68 HA HIS 68 4.041 -2.691 -7.395 551 1HB HIS 68 1HB HIS 68 1.644 -1.834 -9.028 552 2HB HIS 68 2HB HIS 68 2.969 -0.762 -8.583 553 HD1 HIS 68 HD1 HIS 68 3.867 -0.365 -10.914 554 HD2 HIS 68 HD2 HIS 68 3.585 -4.396 -9.945 555 HE1 HIS 68 HE1 HIS 68 5.065 -1.584 -12.757 556 HE2 HIS 68 HE2 HIS 68 4.812 -4.026 -12.191 557 H LEU 69 H LEU 69 4.114 -1.690 -5.503 558 HA LEU 69 HA LEU 69 1.609 -1.226 -4.053 559 1HB LEU 69 1HB LEU 69 3.336 -2.555 -2.923 560 2HB LEU 69 2HB LEU 69 4.460 -1.218 -3.067 561 HG LEU 69 HG LEU 69 1.866 -1.015 -1.543 562 1HD1 LEU 69 1HD1 LEU 69 3.514 -2.793 -0.710 563 2HD1 LEU 69 2HD1 LEU 69 2.952 -1.580 0.441 564 3HD1 LEU 69 3HD1 LEU 69 4.553 -1.433 -0.282 565 1HD2 LEU 69 1HD2 LEU 69 4.168 0.755 -2.074 566 2HD2 LEU 69 2HD2 LEU 69 3.540 0.754 -0.425 567 3HD2 LEU 69 3HD2 LEU 69 2.474 1.147 -1.774 568 H VAL 70 H VAL 70 0.773 0.713 -4.411 569 HA VAL 70 HA VAL 70 2.593 3.028 -4.487 570 HB VAL 70 HB VAL 70 -0.169 3.397 -5.458 571 1HG1 VAL 70 1HG1 VAL 70 1.382 4.426 -7.353 572 2HG1 VAL 70 2HG1 VAL 70 2.566 4.377 -6.047 573 3HG1 VAL 70 3HG1 VAL 70 1.062 5.273 -5.839 574 1HG2 VAL 70 1HG2 VAL 70 0.102 2.305 -7.543 575 2HG2 VAL 70 2HG2 VAL 70 0.503 1.117 -6.303 576 3HG2 VAL 70 3HG2 VAL 70 1.789 1.922 -7.202 577 H LEU 71 H LEU 71 1.958 4.935 -3.407 578 HA LEU 71 HA LEU 71 0.674 4.479 -0.904 579 1HB LEU 71 1HB LEU 71 2.440 6.364 -1.935 580 2HB LEU 71 2HB LEU 71 0.979 7.277 -1.618 581 HG LEU 71 HG LEU 71 1.421 5.680 0.658 582 1HD1 LEU 71 1HD1 LEU 71 3.622 5.371 0.752 583 2HD1 LEU 71 2HD1 LEU 71 3.774 7.118 0.947 584 3HD1 LEU 71 3HD1 LEU 71 3.895 6.396 -0.657 585 1HD2 LEU 71 1HD2 LEU 71 0.944 8.385 -0.056 586 2HD2 LEU 71 2HD2 LEU 71 2.265 8.343 1.112 587 3HD2 LEU 71 3HD2 LEU 71 0.715 7.598 1.506 588 H ARG 72 H ARG 72 -1.299 5.186 -0.153 589 HA ARG 72 HA ARG 72 -3.520 5.093 -1.680 590 1HB ARG 72 1HB ARG 72 -2.889 6.411 0.895 591 2HB ARG 72 2HB ARG 72 -4.375 6.926 0.108 592 1HG ARG 72 1HG ARG 72 -3.741 4.032 0.582 593 2HG ARG 72 2HG ARG 72 -4.546 5.037 1.788 594 1HD ARG 72 1HD ARG 72 -6.006 5.593 -0.437 595 2HD ARG 72 2HD ARG 72 -5.568 3.909 -0.722 596 HE ARG 72 HE ARG 72 -6.493 4.142 1.906 597 1HH1 ARG 72 1HH1 ARG 72 -9.299 3.928 -0.941 598 2HH1 ARG 72 2HH1 ARG 72 -7.687 4.407 -1.354 599 1HH2 ARG 72 1HH2 ARG 72 -8.613 3.510 2.462 600 2HH2 ARG 72 2HH2 ARG 72 -9.826 3.418 1.229 601 H LEU 73 H LEU 73 -4.712 6.397 -2.987 602 HA LEU 73 HA LEU 73 -3.512 8.396 -4.462 603 1HB LEU 73 1HB LEU 73 -5.883 9.071 -5.063 604 2HB LEU 73 2HB LEU 73 -5.432 7.407 -5.375 605 HG LEU 73 HG LEU 73 -7.745 8.020 -4.265 606 1HD1 LEU 73 1HD1 LEU 73 -5.992 5.729 -4.189 607 2HD1 LEU 73 2HD1 LEU 73 -7.742 5.803 -4.392 608 3HD1 LEU 73 3HD1 LEU 73 -7.042 5.783 -2.773 609 1HD2 LEU 73 1HD2 LEU 73 -7.712 7.943 -1.864 610 2HD2 LEU 73 2HD2 LEU 73 -6.685 9.269 -2.408 611 3HD2 LEU 73 3HD2 LEU 73 -5.958 7.760 -1.854 612 H ARG 74 H ARG 74 -4.889 10.657 -4.615 613 HA ARG 74 HA ARG 74 -5.214 12.722 -3.715 614 1HB ARG 74 1HB ARG 74 -6.704 11.364 -2.140 615 2HB ARG 74 2HB ARG 74 -5.371 11.432 -0.996 616 1HG ARG 74 1HG ARG 74 -5.643 14.054 -1.702 617 2HG ARG 74 2HG ARG 74 -7.310 13.480 -1.750 618 1HD ARG 74 1HD ARG 74 -6.155 12.389 0.571 619 2HD ARG 74 2HD ARG 74 -5.661 14.081 0.517 620 HE ARG 74 HE ARG 74 -8.478 13.585 0.059 621 1HH1 ARG 74 1HH1 ARG 74 -7.073 15.063 3.504 622 2HH1 ARG 74 2HH1 ARG 74 -5.980 14.363 2.358 623 1HH2 ARG 74 1HH2 ARG 74 -9.926 14.505 1.561 624 2HH2 ARG 74 2HH2 ARG 74 -9.318 15.143 3.051 625 H GLY 75 H GLY 75 -3.618 14.147 -3.584 626 1HA GLY 75 1HA GLY 75 -1.599 13.904 -1.507 627 2HA GLY 75 2HA GLY 75 -1.005 13.769 -3.154 628 H GLY 76 H GLY 76 -2.546 15.894 -0.821 629 1HA GLY 76 1HA GLY 76 -2.284 18.182 -0.579 630 2HA GLY 76 2HA GLY 76 -1.249 18.178 -1.998 Start of MODEL 16 1 1H MET 1 1H MET 1 3.708 -20.206 -1.221 2 2H MET 1 2H MET 1 2.517 -20.988 -2.177 3 3H MET 1 3H MET 1 2.309 -19.349 -1.713 4 HA MET 1 HA MET 1 4.358 -20.441 -3.520 5 1HB MET 1 1HB MET 1 3.149 -19.000 -5.164 6 2HB MET 1 2HB MET 1 2.183 -20.333 -4.548 7 1HG MET 1 1HG MET 1 0.786 -18.962 -3.367 8 2HG MET 1 2HG MET 1 1.994 -17.690 -3.201 9 1HE MET 1 1HE MET 1 -0.997 -16.323 -4.392 10 2HE MET 1 2HE MET 1 -1.033 -18.013 -3.890 11 3HE MET 1 3HE MET 1 -1.524 -17.569 -5.524 12 H GLN 2 H GLN 2 5.518 -18.662 -4.659 13 HA GLN 2 HA GLN 2 6.302 -16.623 -2.713 14 1HB GLN 2 1HB GLN 2 7.771 -18.278 -4.395 15 2HB GLN 2 2HB GLN 2 7.858 -16.704 -5.171 16 1HG GLN 2 1HG GLN 2 9.433 -16.099 -3.751 17 2HG GLN 2 2HG GLN 2 8.301 -16.298 -2.415 18 1HE2 GLN 2 1HE2 GLN 2 10.013 -16.964 -1.077 19 2HE2 GLN 2 2HE2 GLN 2 10.680 -18.554 -1.194 20 H LEU 3 H LEU 3 6.041 -14.483 -3.034 21 HA LEU 3 HA LEU 3 4.944 -13.614 -5.626 22 1HB LEU 3 1HB LEU 3 4.095 -12.759 -2.860 23 2HB LEU 3 2HB LEU 3 3.609 -11.931 -4.328 24 HG LEU 3 HG LEU 3 2.989 -14.826 -3.741 25 1HD1 LEU 3 1HD1 LEU 3 1.422 -12.316 -3.245 26 2HD1 LEU 3 2HD1 LEU 3 1.771 -13.638 -2.132 27 3HD1 LEU 3 3HD1 LEU 3 0.638 -13.881 -3.461 28 1HD2 LEU 3 1HD2 LEU 3 1.793 -14.876 -5.691 29 2HD2 LEU 3 2HD2 LEU 3 3.092 -13.774 -6.153 30 3HD2 LEU 3 3HD2 LEU 3 1.513 -13.134 -5.693 31 H PHE 4 H PHE 4 5.655 -11.671 -6.426 32 HA PHE 4 HA PHE 4 7.941 -10.486 -5.008 33 1HB PHE 4 1HB PHE 4 7.201 -10.332 -7.938 34 2HB PHE 4 2HB PHE 4 8.639 -9.628 -7.205 35 HD1 PHE 4 HD1 PHE 4 6.933 -12.957 -7.195 36 HD2 PHE 4 HD2 PHE 4 10.575 -10.778 -7.609 37 HE1 PHE 4 HE1 PHE 4 8.149 -15.069 -7.569 38 HE2 PHE 4 HE2 PHE 4 11.798 -12.886 -7.984 39 HZ PHE 4 HZ PHE 4 10.584 -15.033 -7.966 40 H VAL 5 H VAL 5 7.428 -8.723 -3.895 41 HA VAL 5 HA VAL 5 5.376 -6.911 -4.976 42 HB VAL 5 HB VAL 5 6.414 -7.002 -2.143 43 1HG1 VAL 5 1HG1 VAL 5 3.896 -5.750 -3.222 44 2HG1 VAL 5 2HG1 VAL 5 5.404 -4.868 -2.977 45 3HG1 VAL 5 3HG1 VAL 5 4.571 -5.591 -1.601 46 1HG2 VAL 5 1HG2 VAL 5 4.059 -8.001 -1.754 47 2HG2 VAL 5 2HG2 VAL 5 5.348 -9.055 -2.336 48 3HG2 VAL 5 3HG2 VAL 5 4.140 -8.435 -3.461 49 H LYS 6 H LYS 6 6.060 -5.083 -5.857 50 HA LYS 6 HA LYS 6 8.713 -4.056 -5.105 51 1HB LYS 6 1HB LYS 6 8.355 -2.715 -7.311 52 2HB LYS 6 2HB LYS 6 8.817 -4.410 -7.392 53 1HG LYS 6 1HG LYS 6 6.491 -5.033 -7.785 54 2HG LYS 6 2HG LYS 6 6.020 -3.333 -7.693 55 1HD LYS 6 1HD LYS 6 7.757 -4.662 -9.762 56 2HD LYS 6 2HD LYS 6 6.193 -3.880 -10.000 57 1HE LYS 6 1HE LYS 6 7.353 -1.759 -9.133 58 2HE LYS 6 2HE LYS 6 8.858 -2.624 -9.434 59 1HZ LYS 6 1HZ LYS 6 6.948 -2.640 -11.617 60 2HZ LYS 6 2HZ LYS 6 8.626 -2.430 -11.647 61 3HZ LYS 6 3HZ LYS 6 7.618 -1.129 -11.255 62 H THR 7 H THR 7 8.939 -1.649 -5.228 63 HA THR 7 HA THR 7 6.506 -0.335 -4.207 64 HB THR 7 HB THR 7 8.110 1.134 -2.909 65 HG1 THR 7 HG1 THR 7 10.188 0.366 -2.625 66 1HG2 THR 7 1HG2 THR 7 7.831 -1.780 -2.305 67 2HG2 THR 7 2HG2 THR 7 7.025 -0.403 -1.555 68 3HG2 THR 7 3HG2 THR 7 8.734 -0.704 -1.238 69 H LEU 8 H LEU 8 7.028 2.216 -4.223 70 HA LEU 8 HA LEU 8 7.223 2.874 -7.017 71 1HB LEU 8 1HB LEU 8 6.066 4.029 -4.700 72 2HB LEU 8 2HB LEU 8 7.192 5.201 -5.357 73 HG LEU 8 HG LEU 8 4.923 3.909 -6.876 74 1HD1 LEU 8 1HD1 LEU 8 5.254 6.658 -5.693 75 2HD1 LEU 8 2HD1 LEU 8 4.039 5.449 -5.278 76 3HD1 LEU 8 3HD1 LEU 8 4.004 6.227 -6.859 77 1HD2 LEU 8 1HD2 LEU 8 5.681 6.065 -8.321 78 2HD2 LEU 8 2HD2 LEU 8 6.230 4.418 -8.630 79 3HD2 LEU 8 3HD2 LEU 8 7.237 5.521 -7.693 80 H THR 9 H THR 9 9.458 2.515 -4.555 81 HA THR 9 HA THR 9 11.273 4.574 -5.538 82 HB THR 9 HB THR 9 12.746 3.331 -3.687 83 HG1 THR 9 HG1 THR 9 11.640 1.987 -2.547 84 1HG2 THR 9 1HG2 THR 9 12.427 5.159 -2.472 85 2HG2 THR 9 2HG2 THR 9 10.699 4.846 -2.302 86 3HG2 THR 9 3HG2 THR 9 11.309 5.670 -3.737 87 H GLY 10 H GLY 10 10.682 1.191 -5.845 88 1HA GLY 10 1HA GLY 10 11.647 0.091 -7.793 89 2HA GLY 10 2HA GLY 10 13.140 0.957 -7.465 90 H LYS 11 H LYS 11 11.579 -0.205 -4.678 91 HA LYS 11 HA LYS 11 13.648 -2.241 -4.364 92 1HB LYS 11 1HB LYS 11 12.698 -0.377 -2.626 93 2HB LYS 11 2HB LYS 11 11.742 -1.777 -2.161 94 1HG LYS 11 1HG LYS 11 14.297 -2.789 -2.374 95 2HG LYS 11 2HG LYS 11 14.537 -1.188 -1.674 96 1HD LYS 11 1HD LYS 11 14.213 -2.487 0.209 97 2HD LYS 11 2HD LYS 11 12.586 -1.876 -0.098 98 1HE LYS 11 1HE LYS 11 11.783 -3.916 -0.609 99 2HE LYS 11 2HE LYS 11 13.244 -4.383 -1.478 100 1HZ LYS 11 1HZ LYS 11 13.640 -4.150 1.356 101 2HZ LYS 11 2HZ LYS 11 14.046 -5.415 0.309 102 3HZ LYS 11 3HZ LYS 11 12.483 -5.318 0.951 103 H THR 12 H THR 12 13.263 -4.358 -4.507 104 HA THR 12 HA THR 12 10.455 -5.243 -4.609 105 HB THR 12 HB THR 12 12.798 -6.649 -5.889 106 HG1 THR 12 HG1 THR 12 12.391 -5.564 -7.721 107 1HG2 THR 12 1HG2 THR 12 10.616 -7.884 -5.481 108 2HG2 THR 12 2HG2 THR 12 11.249 -7.877 -7.126 109 3HG2 THR 12 3HG2 THR 12 9.917 -6.807 -6.689 110 H LEU 13 H LEU 13 9.792 -6.783 -3.236 111 HA LEU 13 HA LEU 13 11.834 -8.229 -1.682 112 1HB LEU 13 1HB LEU 13 10.412 -8.051 0.298 113 2HB LEU 13 2HB LEU 13 10.898 -6.472 -0.290 114 HG LEU 13 HG LEU 13 8.562 -6.585 -1.529 115 1HD1 LEU 13 1HD1 LEU 13 7.375 -7.799 0.763 116 2HD1 LEU 13 2HD1 LEU 13 8.502 -8.937 0.025 117 3HD1 LEU 13 3HD1 LEU 13 7.203 -8.233 -0.938 118 1HD2 LEU 13 1HD2 LEU 13 9.533 -5.162 0.506 119 2HD2 LEU 13 2HD2 LEU 13 8.285 -6.062 1.368 120 3HD2 LEU 13 3HD2 LEU 13 7.852 -5.059 -0.016 121 H THR 14 H THR 14 11.454 -10.366 -1.287 122 HA THR 14 HA THR 14 9.228 -11.560 -2.758 123 HB THR 14 HB THR 14 11.803 -12.664 -1.648 124 HG1 THR 14 HG1 THR 14 11.471 -11.570 -3.820 125 1HG2 THR 14 1HG2 THR 14 9.380 -14.148 -2.504 126 2HG2 THR 14 2HG2 THR 14 10.575 -14.542 -1.268 127 3HG2 THR 14 3HG2 THR 14 10.963 -14.765 -2.974 128 H VAL 15 H VAL 15 7.463 -12.229 -1.745 129 HA VAL 15 HA VAL 15 7.651 -12.909 1.118 130 HB VAL 15 HB VAL 15 5.090 -12.255 1.000 131 1HG1 VAL 15 1HG1 VAL 15 7.531 -10.683 1.535 132 2HG1 VAL 15 2HG1 VAL 15 6.172 -11.068 2.592 133 3HG1 VAL 15 3HG1 VAL 15 6.026 -9.772 1.403 134 1HG2 VAL 15 1HG2 VAL 15 4.427 -10.823 -0.625 135 2HG2 VAL 15 2HG2 VAL 15 5.675 -11.661 -1.546 136 3HG2 VAL 15 3HG2 VAL 15 6.029 -10.104 -0.798 137 H GLU 16 H GLU 16 6.398 -14.633 1.868 138 HA GLU 16 HA GLU 16 5.473 -16.453 -0.248 139 1HB GLU 16 1HB GLU 16 7.060 -16.828 2.124 140 2HB GLU 16 2HB GLU 16 5.621 -17.835 2.206 141 1HG GLU 16 1HG GLU 16 6.540 -18.180 -0.382 142 2HG GLU 16 2HG GLU 16 8.005 -18.134 0.600 143 H LEU 17 H LEU 17 3.352 -16.549 -0.514 144 HA LEU 17 HA LEU 17 1.618 -16.606 1.842 145 1HB LEU 17 1HB LEU 17 1.396 -14.695 -0.466 146 2HB LEU 17 2HB LEU 17 -0.007 -15.136 0.489 147 HG LEU 17 HG LEU 17 2.465 -14.021 1.786 148 1HD1 LEU 17 1HD1 LEU 17 0.454 -12.621 0.147 149 2HD1 LEU 17 2HD1 LEU 17 2.119 -12.181 0.529 150 3HD1 LEU 17 3HD1 LEU 17 0.836 -11.888 1.705 151 1HD2 LEU 17 1HD2 LEU 17 1.112 -13.633 3.622 152 2HD2 LEU 17 2HD2 LEU 17 0.497 -15.169 3.014 153 3HD2 LEU 17 3HD2 LEU 17 -0.371 -13.674 2.668 154 H GLU 18 H GLU 18 -0.788 -16.923 0.880 155 HA GLU 18 HA GLU 18 -0.615 -19.025 -1.174 156 1HB GLU 18 1HB GLU 18 -2.405 -19.115 1.257 157 2HB GLU 18 2HB GLU 18 -2.203 -20.373 0.045 158 1HG GLU 18 1HG GLU 18 0.292 -19.573 1.320 159 2HG GLU 18 2HG GLU 18 -0.897 -20.231 2.441 160 HA PRO 19 HA PRO 19 -3.821 -17.011 -3.400 161 1HB PRO 19 1HB PRO 19 -5.105 -19.669 -3.702 162 2HB PRO 19 2HB PRO 19 -4.567 -18.532 -4.941 163 1HG PRO 19 1HG PRO 19 -3.199 -20.768 -4.448 164 2HG PRO 19 2HG PRO 19 -2.367 -19.251 -4.833 165 1HD PRO 19 1HD PRO 19 -2.742 -20.590 -2.184 166 2HD PRO 19 2HD PRO 19 -1.328 -19.726 -2.822 167 H SER 20 H SER 20 -4.523 -19.004 -0.674 168 HA SER 20 HA SER 20 -7.322 -18.237 -0.569 169 1HB SER 20 1HB SER 20 -7.555 -19.778 1.186 170 2HB SER 20 2HB SER 20 -6.337 -20.519 0.149 171 HG SER 20 HG SER 20 -4.805 -20.085 1.600 172 H ASP 21 H ASP 21 -4.539 -16.681 0.131 173 HA ASP 21 HA ASP 21 -5.136 -15.602 2.710 174 1HB ASP 21 1HB ASP 21 -3.103 -15.094 0.592 175 2HB ASP 21 2HB ASP 21 -3.391 -13.816 1.770 176 H THR 22 H THR 22 -5.592 -13.334 3.139 177 HA THR 22 HA THR 22 -7.368 -12.184 1.090 178 HB THR 22 HB THR 22 -8.516 -11.055 2.995 179 HG1 THR 22 HG1 THR 22 -7.897 -11.394 5.010 180 1HG2 THR 22 1HG2 THR 22 -9.922 -12.755 3.299 181 2HG2 THR 22 2HG2 THR 22 -8.657 -13.824 3.903 182 3HG2 THR 22 3HG2 THR 22 -8.881 -13.618 2.166 183 H VAL 23 H VAL 23 -7.530 -9.816 1.064 184 HA VAL 23 HA VAL 23 -5.138 -8.545 0.630 185 HB VAL 23 HB VAL 23 -7.730 -7.278 1.524 186 1HG1 VAL 23 1HG1 VAL 23 -6.827 -5.247 1.306 187 2HG1 VAL 23 2HG1 VAL 23 -5.961 -5.696 -0.164 188 3HG1 VAL 23 3HG1 VAL 23 -5.267 -6.064 1.416 189 1HG2 VAL 23 1HG2 VAL 23 -6.659 -7.450 -1.277 190 2HG2 VAL 23 2HG2 VAL 23 -8.296 -7.064 -0.744 191 3HG2 VAL 23 3HG2 VAL 23 -7.683 -8.710 -0.588 192 H GLU 24 H GLU 24 -7.091 -8.477 3.599 193 HA GLU 24 HA GLU 24 -5.578 -6.725 5.105 194 1HB GLU 24 1HB GLU 24 -7.302 -9.070 5.800 195 2HB GLU 24 2HB GLU 24 -6.371 -8.283 7.067 196 1HG GLU 24 1HG GLU 24 -7.475 -6.117 6.023 197 2HG GLU 24 2HG GLU 24 -8.691 -7.289 5.515 198 H ASN 25 H ASN 25 -5.099 -10.188 4.581 199 HA ASN 25 HA ASN 25 -2.989 -10.553 6.399 200 1HB ASN 25 1HB ASN 25 -3.693 -12.012 3.847 201 2HB ASN 25 2HB ASN 25 -2.420 -12.538 4.944 202 1HD2 ASN 25 1HD2 ASN 25 -3.263 -12.510 7.338 203 2HD2 ASN 25 2HD2 ASN 25 -4.753 -13.352 7.571 204 H LEU 26 H LEU 26 -2.802 -10.211 2.847 205 HA LEU 26 HA LEU 26 -0.075 -10.010 2.583 206 1HB LEU 26 1HB LEU 26 -1.387 -10.122 0.617 207 2HB LEU 26 2HB LEU 26 -2.302 -8.691 1.051 208 HG LEU 26 HG LEU 26 -0.483 -7.250 0.527 209 1HD1 LEU 26 1HD1 LEU 26 1.684 -7.812 0.539 210 2HD1 LEU 26 2HD1 LEU 26 1.407 -9.297 -0.371 211 3HD1 LEU 26 3HD1 LEU 26 1.139 -9.267 1.372 212 1HD2 LEU 26 1HD2 LEU 26 -1.690 -7.912 -1.419 213 2HD2 LEU 26 2HD2 LEU 26 -0.798 -9.430 -1.527 214 3HD2 LEU 26 3HD2 LEU 26 0.024 -7.901 -1.836 215 H LYS 27 H LYS 27 -2.384 -7.445 3.364 216 HA LYS 27 HA LYS 27 -0.635 -5.274 3.341 217 1HB LYS 27 1HB LYS 27 -2.939 -5.632 5.261 218 2HB LYS 27 2HB LYS 27 -2.259 -4.117 4.682 219 1HG LYS 27 1HG LYS 27 -3.151 -5.798 2.500 220 2HG LYS 27 2HG LYS 27 -4.447 -5.452 3.648 221 1HD LYS 27 1HD LYS 27 -4.605 -3.337 2.960 222 2HD LYS 27 2HD LYS 27 -2.861 -3.096 3.080 223 1HE LYS 27 1HE LYS 27 -2.566 -3.367 0.881 224 2HE LYS 27 2HE LYS 27 -3.622 -4.777 0.829 225 1HZ LYS 27 1HZ LYS 27 -5.515 -3.414 0.607 226 2HZ LYS 27 2HZ LYS 27 -4.380 -2.802 -0.487 227 3HZ LYS 27 3HZ LYS 27 -4.655 -2.005 0.979 228 H ALA 28 H ALA 28 -1.460 -7.525 5.952 229 HA ALA 28 HA ALA 28 -0.029 -6.355 8.023 230 1HB ALA 28 1HB ALA 28 0.259 -8.947 8.644 231 2HB ALA 28 2HB ALA 28 -1.002 -9.083 7.419 232 3HB ALA 28 3HB ALA 28 -1.260 -8.073 8.842 233 H LYS 29 H LYS 29 1.045 -8.583 5.496 234 HA LYS 29 HA LYS 29 3.653 -9.012 6.436 235 1HB LYS 29 1HB LYS 29 2.578 -9.004 3.610 236 2HB LYS 29 2HB LYS 29 4.176 -9.585 4.060 237 1HG LYS 29 1HG LYS 29 1.955 -10.767 5.572 238 2HG LYS 29 2HG LYS 29 1.983 -11.145 3.848 239 1HD LYS 29 1HD LYS 29 3.783 -12.467 4.050 240 2HD LYS 29 2HD LYS 29 4.599 -11.341 5.138 241 1HE LYS 29 1HE LYS 29 2.294 -13.024 6.064 242 2HE LYS 29 2HE LYS 29 3.942 -13.650 6.050 243 1HZ LYS 29 1HZ LYS 29 3.867 -12.792 8.135 244 2HZ LYS 29 2HZ LYS 29 2.756 -11.580 7.739 245 3HZ LYS 29 3HZ LYS 29 4.384 -11.405 7.316 246 H ILE 30 H ILE 30 2.323 -6.540 4.280 247 HA ILE 30 HA ILE 30 4.820 -5.272 3.762 248 HB ILE 30 HB ILE 30 2.086 -4.011 3.565 249 1HG1 ILE 30 1HG1 ILE 30 3.573 -5.753 1.590 250 2HG1 ILE 30 2HG1 ILE 30 2.009 -6.082 2.330 251 1HG2 ILE 30 1HG2 ILE 30 3.699 -3.117 1.500 252 2HG2 ILE 30 2HG2 ILE 30 4.777 -3.175 2.895 253 3HG2 ILE 30 3HG2 ILE 30 3.288 -2.234 2.970 254 1HD1 ILE 30 1HD1 ILE 30 1.666 -3.637 1.083 255 2HD1 ILE 30 2HD1 ILE 30 1.100 -5.207 0.512 256 3HD1 ILE 30 3HD1 ILE 30 2.650 -4.572 -0.043 257 H GLN 31 H GLN 31 2.636 -5.219 6.395 258 HA GLN 31 HA GLN 31 3.542 -2.642 7.388 259 1HB GLN 31 1HB GLN 31 1.161 -3.467 7.617 260 2HB GLN 31 2HB GLN 31 1.760 -4.633 8.790 261 1HG GLN 31 1HG GLN 31 2.590 -2.778 10.175 262 2HG GLN 31 2HG GLN 31 1.909 -1.636 9.018 263 1HE2 GLN 31 1HE2 GLN 31 0.668 -4.648 10.414 264 2HE2 GLN 31 2HE2 GLN 31 -0.778 -3.955 11.059 265 H ASP 32 H ASP 32 4.166 -6.025 7.848 266 HA ASP 32 HA ASP 32 5.656 -5.591 10.299 267 1HB ASP 32 1HB ASP 32 4.387 -7.811 9.071 268 2HB ASP 32 2HB ASP 32 6.093 -8.195 9.260 269 H LYS 33 H LYS 33 6.238 -5.355 7.013 270 HA LYS 33 HA LYS 33 9.131 -5.745 7.417 271 1HB LYS 33 1HB LYS 33 7.367 -6.352 5.072 272 2HB LYS 33 2HB LYS 33 9.064 -5.975 4.810 273 1HG LYS 33 1HG LYS 33 9.762 -7.845 6.102 274 2HG LYS 33 2HG LYS 33 8.118 -8.142 6.667 275 1HD LYS 33 1HD LYS 33 8.158 -8.109 3.803 276 2HD LYS 33 2HD LYS 33 9.392 -9.220 4.398 277 1HE LYS 33 1HE LYS 33 6.613 -9.273 5.512 278 2HE LYS 33 2HE LYS 33 6.995 -10.104 4.005 279 1HZ LYS 33 1HZ LYS 33 8.473 -11.529 5.083 280 2HZ LYS 33 2HZ LYS 33 7.156 -11.435 6.140 281 3HZ LYS 33 3HZ LYS 33 8.566 -10.560 6.467 282 H GLU 34 H GLU 34 6.819 -3.982 5.346 283 HA GLU 34 HA GLU 34 8.751 -1.829 5.014 284 1HB GLU 34 1HB GLU 34 5.974 -2.103 3.852 285 2HB GLU 34 2HB GLU 34 7.196 -0.931 3.375 286 1HG GLU 34 1HG GLU 34 7.878 -3.815 3.204 287 2HG GLU 34 2HG GLU 34 6.774 -3.140 2.005 288 H GLY 35 H GLY 35 6.546 -2.621 7.304 289 1HA GLY 35 1HA GLY 35 5.390 -1.459 8.908 290 2HA GLY 35 2HA GLY 35 6.643 -0.248 8.696 291 H ILE 36 H ILE 36 4.341 -1.218 6.220 292 HA ILE 36 HA ILE 36 3.265 1.519 6.270 293 HB ILE 36 HB ILE 36 3.329 -0.492 4.020 294 1HG1 ILE 36 1HG1 ILE 36 4.754 2.141 4.453 295 2HG1 ILE 36 2HG1 ILE 36 5.490 0.542 4.405 296 1HG2 ILE 36 1HG2 ILE 36 2.370 1.312 2.643 297 2HG2 ILE 36 2HG2 ILE 36 2.168 2.289 4.097 298 3HG2 ILE 36 3HG2 ILE 36 1.274 0.779 3.918 299 1HD1 ILE 36 1HD1 ILE 36 4.717 0.358 2.036 300 2HD1 ILE 36 2HD1 ILE 36 5.933 1.600 2.335 301 3HD1 ILE 36 3HD1 ILE 36 4.240 2.053 2.132 302 HA PRO 37 HA PRO 37 -0.484 -0.290 7.901 303 1HB PRO 37 1HB PRO 37 -1.602 2.346 7.146 304 2HB PRO 37 2HB PRO 37 -1.587 1.539 8.716 305 1HG PRO 37 1HG PRO 37 -0.004 3.635 8.228 306 2HG PRO 37 2HG PRO 37 0.551 2.274 9.221 307 1HD PRO 37 1HD PRO 37 1.181 2.917 6.366 308 2HD PRO 37 2HD PRO 37 2.249 2.300 7.644 309 HA PRO 38 HA PRO 38 -2.696 -1.667 4.346 310 1HB PRO 38 1HB PRO 38 -5.159 -1.447 5.980 311 2HB PRO 38 2HB PRO 38 -4.459 -2.859 5.180 312 1HG PRO 38 1HG PRO 38 -4.342 -2.577 7.835 313 2HG PRO 38 2HG PRO 38 -2.994 -3.284 6.923 314 1HD PRO 38 1HD PRO 38 -3.278 -0.531 8.063 315 2HD PRO 38 2HD PRO 38 -1.851 -1.589 8.010 316 H ASP 39 H ASP 39 -4.291 0.922 6.199 317 HA ASP 39 HA ASP 39 -5.973 1.844 4.162 318 1HB ASP 39 1HB ASP 39 -5.819 2.450 6.721 319 2HB ASP 39 2HB ASP 39 -4.799 3.762 6.136 320 H GLN 40 H GLN 40 -2.585 2.149 4.571 321 HA GLN 40 HA GLN 40 -2.468 4.286 2.552 322 1HB GLN 40 1HB GLN 40 -0.078 3.379 4.108 323 2HB GLN 40 2HB GLN 40 -0.420 4.959 3.415 324 1HG GLN 40 1HG GLN 40 -2.416 4.750 5.234 325 2HG GLN 40 2HG GLN 40 -1.129 3.850 6.033 326 1HE2 GLN 40 1HE2 GLN 40 1.107 5.112 5.497 327 2HE2 GLN 40 2HE2 GLN 40 1.069 6.759 6.019 328 H GLN 41 H GLN 41 -2.886 1.321 2.178 329 HA GLN 41 HA GLN 41 -0.523 0.759 0.513 330 1HB GLN 41 1HB GLN 41 -2.409 -0.993 2.028 331 2HB GLN 41 2HB GLN 41 -1.644 -1.630 0.579 332 1HG GLN 41 1HG GLN 41 0.554 -1.162 1.529 333 2HG GLN 41 2HG GLN 41 -0.211 -0.517 2.981 334 1HE2 GLN 41 1HE2 GLN 41 -0.219 -1.871 4.608 335 2HE2 GLN 41 2HE2 GLN 41 -0.314 -3.593 4.511 336 H ARG 42 H ARG 42 -0.735 0.522 -1.632 337 HA ARG 42 HA ARG 42 -3.402 0.176 -2.787 338 1HB ARG 42 1HB ARG 42 -2.778 2.638 -2.686 339 2HB ARG 42 2HB ARG 42 -1.495 2.268 -3.831 340 1HG ARG 42 1HG ARG 42 -3.255 1.373 -5.373 341 2HG ARG 42 2HG ARG 42 -4.460 2.021 -4.257 342 1HD ARG 42 1HD ARG 42 -4.238 4.055 -5.118 343 2HD ARG 42 2HD ARG 42 -2.498 4.027 -4.836 344 HE ARG 42 HE ARG 42 -2.183 3.547 -7.051 345 1HH1 ARG 42 1HH1 ARG 42 -6.013 2.713 -7.863 346 2HH1 ARG 42 2HH1 ARG 42 -5.517 2.980 -6.224 347 1HH2 ARG 42 1HH2 ARG 42 -2.824 3.198 -9.212 348 2HH2 ARG 42 2HH2 ARG 42 -4.481 2.837 -9.562 349 H LEU 43 H LEU 43 -2.717 -1.940 -3.288 350 HA LEU 43 HA LEU 43 -0.425 -2.269 -5.048 351 1HB LEU 43 1HB LEU 43 -2.360 -4.296 -3.924 352 2HB LEU 43 2HB LEU 43 -0.933 -4.679 -4.869 353 HG LEU 43 HG LEU 43 -0.638 -3.109 -2.341 354 1HD1 LEU 43 1HD1 LEU 43 -2.071 -5.190 -1.971 355 2HD1 LEU 43 2HD1 LEU 43 -0.623 -5.009 -0.981 356 3HD1 LEU 43 3HD1 LEU 43 -0.616 -6.107 -2.360 357 1HD2 LEU 43 1HD2 LEU 43 1.503 -4.459 -2.321 358 2HD2 LEU 43 2HD2 LEU 43 1.340 -3.274 -3.618 359 3HD2 LEU 43 3HD2 LEU 43 1.075 -4.986 -3.949 360 H ILE 44 H ILE 44 -0.514 -2.613 -7.191 361 HA ILE 44 HA ILE 44 -3.180 -2.884 -8.421 362 HB ILE 44 HB ILE 44 -0.875 -1.549 -9.806 363 1HG1 ILE 44 1HG1 ILE 44 -1.212 -0.306 -7.734 364 2HG1 ILE 44 2HG1 ILE 44 -1.817 0.626 -9.101 365 1HG2 ILE 44 1HG2 ILE 44 -3.505 -2.278 -10.526 366 2HG2 ILE 44 2HG2 ILE 44 -2.321 -1.384 -11.478 367 3HG2 ILE 44 3HG2 ILE 44 -3.454 -0.517 -10.442 368 1HD1 ILE 44 1HD1 ILE 44 -4.105 -0.219 -8.540 369 2HD1 ILE 44 2HD1 ILE 44 -3.378 0.855 -7.344 370 3HD1 ILE 44 3HD1 ILE 44 -3.415 -0.885 -7.059 371 H PHE 45 H PHE 45 -2.781 -5.202 -8.307 372 HA PHE 45 HA PHE 45 -0.646 -6.542 -9.459 373 1HB PHE 45 1HB PHE 45 -2.202 -7.785 -8.152 374 2HB PHE 45 2HB PHE 45 -3.550 -7.314 -9.182 375 HD1 PHE 45 HD1 PHE 45 -4.331 -8.849 -10.699 376 HD2 PHE 45 HD2 PHE 45 -0.263 -9.071 -9.436 377 HE1 PHE 45 HE1 PHE 45 -4.034 -10.904 -12.029 378 HE2 PHE 45 HE2 PHE 45 0.041 -11.125 -10.764 379 HZ PHE 45 HZ PHE 45 -1.845 -12.043 -12.062 380 H ALA 46 H ALA 46 -0.019 -5.475 -11.357 381 HA ALA 46 HA ALA 46 0.038 -5.015 -13.588 382 1HB ALA 46 1HB ALA 46 -1.139 -6.827 -15.011 383 2HB ALA 46 2HB ALA 46 -1.410 -7.630 -13.464 384 3HB ALA 46 3HB ALA 46 0.233 -7.286 -14.003 385 H GLY 47 H GLY 47 -1.944 -3.600 -12.154 386 1HA GLY 47 1HA GLY 47 -3.400 -1.961 -13.097 387 2HA GLY 47 2HA GLY 47 -3.840 -3.117 -14.343 388 H LYS 48 H LYS 48 -3.770 -4.684 -11.410 389 HA LYS 48 HA LYS 48 -6.685 -4.398 -11.134 390 1HB LYS 48 1HB LYS 48 -4.861 -6.684 -10.374 391 2HB LYS 48 2HB LYS 48 -6.579 -6.624 -10.006 392 1HG LYS 48 1HG LYS 48 -6.307 -6.116 -12.768 393 2HG LYS 48 2HG LYS 48 -5.284 -7.502 -12.383 394 1HD LYS 48 1HD LYS 48 -7.234 -8.525 -11.210 395 2HD LYS 48 2HD LYS 48 -8.227 -7.190 -11.800 396 1HE LYS 48 1HE LYS 48 -6.621 -8.656 -13.808 397 2HE LYS 48 2HE LYS 48 -7.984 -9.519 -13.097 398 1HZ LYS 48 1HZ LYS 48 -9.489 -8.070 -14.000 399 2HZ LYS 48 2HZ LYS 48 -8.306 -8.061 -15.209 400 3HZ LYS 48 3HZ LYS 48 -8.390 -6.788 -14.098 401 H GLN 49 H GLN 49 -7.093 -2.927 -9.600 402 HA GLN 49 HA GLN 49 -5.388 -2.491 -7.350 403 1HB GLN 49 1HB GLN 49 -7.595 -1.177 -8.580 404 2HB GLN 49 2HB GLN 49 -7.987 -1.414 -6.882 405 1HG GLN 49 1HG GLN 49 -5.535 -0.482 -6.560 406 2HG GLN 49 2HG GLN 49 -5.873 0.244 -8.132 407 1HE2 GLN 49 1HE2 GLN 49 -5.992 0.770 -4.912 408 2HE2 GLN 49 2HE2 GLN 49 -7.231 1.971 -4.850 409 H LEU 50 H LEU 50 -5.199 -4.091 -5.896 410 HA LEU 50 HA LEU 50 -7.011 -6.063 -5.261 411 1HB LEU 50 1HB LEU 50 -5.121 -4.778 -3.292 412 2HB LEU 50 2HB LEU 50 -5.774 -6.403 -3.218 413 HG LEU 50 HG LEU 50 -3.636 -5.317 -5.012 414 1HD1 LEU 50 1HD1 LEU 50 -2.342 -7.072 -4.165 415 2HD1 LEU 50 2HD1 LEU 50 -3.755 -7.948 -3.575 416 3HD1 LEU 50 3HD1 LEU 50 -3.235 -6.468 -2.769 417 1HD2 LEU 50 1HD2 LEU 50 -5.239 -7.825 -5.499 418 2HD2 LEU 50 2HD2 LEU 50 -3.778 -7.349 -6.364 419 3HD2 LEU 50 3HD2 LEU 50 -5.243 -6.377 -6.507 420 H GLU 51 H GLU 51 -8.900 -6.134 -4.237 421 HA GLU 51 HA GLU 51 -9.802 -3.730 -2.821 422 1HB GLU 51 1HB GLU 51 -11.247 -5.994 -4.167 423 2HB GLU 51 2HB GLU 51 -12.072 -4.959 -3.011 424 1HG GLU 51 1HG GLU 51 -10.587 -3.775 -5.318 425 2HG GLU 51 2HG GLU 51 -12.217 -4.414 -5.526 426 H ASP 52 H ASP 52 -9.490 -3.785 -0.695 427 HA ASP 52 HA ASP 52 -8.779 -5.803 0.929 428 1HB ASP 52 1HB ASP 52 -9.290 -4.432 2.705 429 2HB ASP 52 2HB ASP 52 -9.297 -3.262 1.394 430 H GLY 53 H GLY 53 -9.768 -7.349 2.242 431 1HA GLY 53 1HA GLY 53 -11.518 -8.673 3.045 432 2HA GLY 53 2HA GLY 53 -12.636 -7.769 2.036 433 H ARG 54 H ARG 54 -10.459 -8.332 -0.158 434 HA ARG 54 HA ARG 54 -11.733 -10.808 -1.041 435 1HB ARG 54 1HB ARG 54 -9.870 -9.030 -2.614 436 2HB ARG 54 2HB ARG 54 -10.951 -10.267 -3.241 437 1HG ARG 54 1HG ARG 54 -12.186 -8.062 -1.703 438 2HG ARG 54 2HG ARG 54 -11.533 -7.672 -3.296 439 1HD ARG 54 1HD ARG 54 -12.871 -9.959 -3.844 440 2HD ARG 54 2HD ARG 54 -13.870 -9.297 -2.550 441 HE ARG 54 HE ARG 54 -13.611 -7.175 -4.139 442 1HH1 ARG 54 1HH1 ARG 54 -15.321 -10.104 -6.264 443 2HH1 ARG 54 2HH1 ARG 54 -14.357 -10.494 -4.878 444 1HH2 ARG 54 1HH2 ARG 54 -14.879 -6.649 -5.960 445 2HH2 ARG 54 2HH2 ARG 54 -15.618 -7.919 -6.880 446 H THR 55 H THR 55 -10.454 -12.519 -1.998 447 HA THR 55 HA THR 55 -7.972 -12.931 -0.517 448 HB THR 55 HB THR 55 -8.223 -15.294 -1.498 449 HG1 THR 55 HG1 THR 55 -10.412 -15.752 -2.102 450 1HG2 THR 55 1HG2 THR 55 -8.776 -14.905 0.807 451 2HG2 THR 55 2HG2 THR 55 -9.997 -15.948 0.075 452 3HG2 THR 55 3HG2 THR 55 -10.346 -14.241 0.354 453 H LEU 56 H LEU 56 -6.092 -13.835 -1.587 454 HA LEU 56 HA LEU 56 -5.287 -12.361 -3.824 455 1HB LEU 56 1HB LEU 56 -4.100 -14.980 -2.915 456 2HB LEU 56 2HB LEU 56 -3.299 -13.716 -3.828 457 HG LEU 56 HG LEU 56 -3.894 -13.862 -0.918 458 1HD1 LEU 56 1HD1 LEU 56 -1.600 -12.596 -2.394 459 2HD1 LEU 56 2HD1 LEU 56 -1.653 -14.309 -1.973 460 3HD1 LEU 56 3HD1 LEU 56 -1.669 -13.086 -0.701 461 1HD2 LEU 56 1HD2 LEU 56 -5.100 -11.873 -1.484 462 2HD2 LEU 56 2HD2 LEU 56 -3.778 -11.300 -2.499 463 3HD2 LEU 56 3HD2 LEU 56 -3.568 -11.399 -0.751 464 H SER 57 H SER 57 -6.740 -15.538 -3.552 465 HA SER 57 HA SER 57 -6.234 -16.363 -6.221 466 1HB SER 57 1HB SER 57 -6.732 -18.090 -4.680 467 2HB SER 57 2HB SER 57 -8.188 -17.273 -4.112 468 HG SER 57 HG SER 57 -8.820 -18.894 -5.493 469 H ASP 58 H ASP 58 -8.480 -14.194 -4.819 470 HA ASP 58 HA ASP 58 -10.543 -14.411 -6.769 471 1HB ASP 58 1HB ASP 58 -9.839 -12.238 -4.795 472 2HB ASP 58 2HB ASP 58 -11.248 -12.166 -5.847 473 H TYR 59 H TYR 59 -7.422 -13.253 -6.977 474 HA TYR 59 HA TYR 59 -8.134 -11.493 -9.232 475 1HB TYR 59 1HB TYR 59 -5.949 -11.277 -7.182 476 2HB TYR 59 2HB TYR 59 -5.771 -10.517 -8.759 477 HD1 TYR 59 HD1 TYR 59 -7.915 -9.075 -9.487 478 HD2 TYR 59 HD2 TYR 59 -6.806 -9.987 -5.472 479 HE1 TYR 59 HE1 TYR 59 -9.198 -7.127 -8.696 480 HE2 TYR 59 HE2 TYR 59 -8.088 -8.042 -4.669 481 HH TYR 59 HH TYR 59 -9.259 -5.623 -6.756 482 H ASN 60 H ASN 60 -7.663 -14.414 -9.184 483 HA ASN 60 HA ASN 60 -6.516 -16.031 -10.312 484 1HB ASN 60 1HB ASN 60 -6.158 -15.594 -12.603 485 2HB ASN 60 2HB ASN 60 -7.474 -14.518 -12.142 486 1HD2 ASN 60 1HD2 ASN 60 -7.250 -12.399 -12.463 487 2HD2 ASN 60 2HD2 ASN 60 -5.801 -11.623 -12.994 488 H LEU 61 H LEU 61 -5.003 -14.456 -8.355 489 HA LEU 61 HA LEU 61 -2.470 -13.711 -9.123 490 1HB LEU 61 1HB LEU 61 -3.634 -14.835 -6.633 491 2HB LEU 61 2HB LEU 61 -1.886 -14.823 -6.763 492 HG LEU 61 HG LEU 61 -3.222 -12.810 -5.678 493 1HD1 LEU 61 1HD1 LEU 61 -1.040 -11.954 -7.499 494 2HD1 LEU 61 2HD1 LEU 61 -0.685 -13.207 -6.310 495 3HD1 LEU 61 3HD1 LEU 61 -1.275 -11.632 -5.782 496 1HD2 LEU 61 1HD2 LEU 61 -2.926 -11.646 -8.392 497 2HD2 LEU 61 2HD2 LEU 61 -4.007 -11.191 -7.073 498 3HD2 LEU 61 3HD2 LEU 61 -4.363 -12.611 -8.056 499 H GLN 62 H GLN 62 -0.658 -14.711 -9.775 500 HA GLN 62 HA GLN 62 -0.732 -17.648 -9.962 501 1HB GLN 62 1HB GLN 62 1.159 -15.996 -11.581 502 2HB GLN 62 2HB GLN 62 0.419 -17.543 -11.964 503 1HG GLN 62 1HG GLN 62 -1.760 -15.931 -11.854 504 2HG GLN 62 2HG GLN 62 -0.532 -14.820 -12.459 505 1HE2 GLN 62 1HE2 GLN 62 -2.473 -17.581 -13.131 506 2HE2 GLN 62 2HE2 GLN 62 -2.036 -17.756 -14.794 507 H LYS 63 H LYS 63 1.838 -18.273 -10.421 508 HA LYS 63 HA LYS 63 3.051 -17.794 -7.827 509 1HB LYS 63 1HB LYS 63 3.088 -20.065 -8.473 510 2HB LYS 63 2HB LYS 63 3.645 -19.680 -10.096 511 1HG LYS 63 1HG LYS 63 5.796 -19.675 -9.487 512 2HG LYS 63 2HG LYS 63 5.469 -18.822 -7.977 513 1HD LYS 63 1HD LYS 63 6.160 -20.863 -7.180 514 2HD LYS 63 2HD LYS 63 4.415 -21.115 -7.269 515 1HE LYS 63 1HE LYS 63 5.084 -23.000 -8.345 516 2HE LYS 63 2HE LYS 63 5.052 -21.906 -9.726 517 1HZ LYS 63 1HZ LYS 63 7.295 -21.878 -9.874 518 2HZ LYS 63 2HZ LYS 63 7.142 -23.399 -9.150 519 3HZ LYS 63 3HZ LYS 63 7.539 -22.051 -8.208 520 H GLU 64 H GLU 64 4.434 -16.191 -7.515 521 HA GLU 64 HA GLU 64 6.270 -14.850 -7.811 522 1HB GLU 64 1HB GLU 64 6.597 -15.842 -10.627 523 2HB GLU 64 2HB GLU 64 7.823 -15.232 -9.525 524 1HG GLU 64 1HG GLU 64 7.189 -17.328 -8.111 525 2HG GLU 64 2HG GLU 64 6.552 -17.923 -9.644 526 H SER 65 H SER 65 3.729 -13.895 -8.168 527 HA SER 65 HA SER 65 3.496 -12.449 -10.638 528 1HB SER 65 1HB SER 65 1.954 -12.144 -8.049 529 2HB SER 65 2HB SER 65 1.516 -11.421 -9.596 530 HG SER 65 HG SER 65 1.005 -13.382 -10.388 531 H THR 66 H THR 66 3.502 -10.146 -10.853 532 HA THR 66 HA THR 66 5.301 -8.829 -8.927 533 HB THR 66 HB THR 66 4.906 -8.170 -11.852 534 HG1 THR 66 HG1 THR 66 7.220 -9.313 -10.733 535 1HG2 THR 66 1HG2 THR 66 7.396 -7.310 -10.742 536 2HG2 THR 66 2HG2 THR 66 6.054 -6.635 -9.816 537 3HG2 THR 66 3HG2 THR 66 6.146 -6.369 -11.557 538 H ILE 67 H ILE 67 3.864 -7.864 -7.563 539 HA ILE 67 HA ILE 67 1.731 -6.215 -8.707 540 HB ILE 67 HB ILE 67 2.222 -6.826 -5.794 541 1HG1 ILE 67 1HG1 ILE 67 0.062 -8.156 -7.371 542 2HG1 ILE 67 2HG1 ILE 67 1.704 -8.776 -7.514 543 1HG2 ILE 67 1HG2 ILE 67 0.848 -4.926 -5.970 544 2HG2 ILE 67 2HG2 ILE 67 -0.257 -6.273 -5.698 545 3HG2 ILE 67 3HG2 ILE 67 -0.061 -5.608 -7.319 546 1HD1 ILE 67 1HD1 ILE 67 1.568 -8.696 -4.875 547 2HD1 ILE 67 2HD1 ILE 67 0.964 -10.066 -5.807 548 3HD1 ILE 67 3HD1 ILE 67 -0.156 -8.840 -5.215 549 H HIS 68 H HIS 68 1.543 -4.022 -8.308 550 HA HIS 68 HA HIS 68 4.021 -2.714 -7.436 551 1HB HIS 68 1HB HIS 68 1.695 -1.661 -9.061 552 2HB HIS 68 2HB HIS 68 3.103 -0.711 -8.598 553 HD1 HIS 68 HD1 HIS 68 4.001 -0.329 -10.935 554 HD2 HIS 68 HD2 HIS 68 3.439 -4.347 -10.038 555 HE1 HIS 68 HE1 HIS 68 5.097 -1.595 -12.810 556 HE2 HIS 68 HE2 HIS 68 4.831 -4.024 -12.194 557 H LEU 69 H LEU 69 4.048 -2.055 -5.397 558 HA LEU 69 HA LEU 69 1.547 -1.416 -4.038 559 1HB LEU 69 1HB LEU 69 3.045 -2.895 -2.865 560 2HB LEU 69 2HB LEU 69 4.368 -1.756 -3.029 561 HG LEU 69 HG LEU 69 2.657 -0.196 -1.686 562 1HD1 LEU 69 1HD1 LEU 69 1.778 -1.847 0.149 563 2HD1 LEU 69 2HD1 LEU 69 1.791 -3.000 -1.186 564 3HD1 LEU 69 3HD1 LEU 69 0.831 -1.525 -1.303 565 1HD2 LEU 69 1HD2 LEU 69 4.648 -0.317 -0.638 566 2HD2 LEU 69 2HD2 LEU 69 4.802 -2.054 -0.899 567 3HD2 LEU 69 3HD2 LEU 69 3.789 -1.446 0.410 568 H VAL 70 H VAL 70 0.836 0.588 -4.018 569 HA VAL 70 HA VAL 70 2.798 2.783 -3.937 570 HB VAL 70 HB VAL 70 0.605 3.962 -5.060 571 1HG1 VAL 70 1HG1 VAL 70 2.427 2.823 -7.043 572 2HG1 VAL 70 2HG1 VAL 70 3.238 3.598 -5.683 573 3HG1 VAL 70 3HG1 VAL 70 2.080 4.508 -6.654 574 1HG2 VAL 70 1HG2 VAL 70 -0.665 2.044 -5.495 575 2HG2 VAL 70 2HG2 VAL 70 0.743 1.123 -6.023 576 3HG2 VAL 70 3HG2 VAL 70 0.107 2.419 -7.035 577 H LEU 71 H LEU 71 2.231 4.610 -2.732 578 HA LEU 71 HA LEU 71 0.513 4.065 -0.492 579 1HB LEU 71 1HB LEU 71 2.652 5.874 -1.108 580 2HB LEU 71 2HB LEU 71 1.290 6.781 -0.480 581 HG LEU 71 HG LEU 71 1.297 5.013 1.427 582 1HD1 LEU 71 1HD1 LEU 71 4.148 4.774 0.483 583 2HD1 LEU 71 2HD1 LEU 71 2.918 3.526 0.284 584 3HD1 LEU 71 3HD1 LEU 71 3.428 4.012 1.901 585 1HD2 LEU 71 1HD2 LEU 71 2.854 7.442 0.996 586 2HD2 LEU 71 2HD2 LEU 71 3.505 6.398 2.258 587 3HD2 LEU 71 3HD2 LEU 71 1.840 6.969 2.359 588 H ARG 72 H ARG 72 -1.225 5.455 0.207 589 HA ARG 72 HA ARG 72 -2.944 6.185 -1.997 590 1HB ARG 72 1HB ARG 72 -3.360 5.232 0.580 591 2HB ARG 72 2HB ARG 72 -3.922 6.897 0.651 592 1HG ARG 72 1HG ARG 72 -5.514 6.531 -1.059 593 2HG ARG 72 2HG ARG 72 -4.811 4.967 -1.474 594 1HD ARG 72 1HD ARG 72 -5.504 4.991 1.300 595 2HD ARG 72 2HD ARG 72 -6.893 5.516 0.349 596 HE ARG 72 HE ARG 72 -5.623 3.157 -0.685 597 1HH1 ARG 72 1HH1 ARG 72 -8.855 2.899 1.664 598 2HH1 ARG 72 2HH1 ARG 72 -7.957 4.379 1.593 599 1HH2 ARG 72 1HH2 ARG 72 -6.798 1.204 -0.598 600 2HH2 ARG 72 2HH2 ARG 72 -8.196 1.094 0.418 601 H LEU 73 H LEU 73 -3.827 8.223 -2.389 602 HA LEU 73 HA LEU 73 -2.079 10.424 -1.710 603 1HB LEU 73 1HB LEU 73 -4.619 10.492 -3.334 604 2HB LEU 73 2HB LEU 73 -3.353 11.703 -3.304 605 HG LEU 73 HG LEU 73 -3.238 8.947 -4.515 606 1HD1 LEU 73 1HD1 LEU 73 -2.315 10.757 -6.337 607 2HD1 LEU 73 2HD1 LEU 73 -3.567 11.677 -5.501 608 3HD1 LEU 73 3HD1 LEU 73 -3.964 10.137 -6.263 609 1HD2 LEU 73 1HD2 LEU 73 -0.866 10.300 -5.091 610 2HD2 LEU 73 2HD2 LEU 73 -1.065 8.873 -4.074 611 3HD2 LEU 73 3HD2 LEU 73 -1.101 10.482 -3.353 612 H ARG 74 H ARG 74 -2.677 12.308 -0.625 613 HA ARG 74 HA ARG 74 -5.053 12.025 1.089 614 1HB ARG 74 1HB ARG 74 -2.420 12.355 1.834 615 2HB ARG 74 2HB ARG 74 -3.056 13.991 1.931 616 1HG ARG 74 1HG ARG 74 -4.736 13.325 3.487 617 2HG ARG 74 2HG ARG 74 -4.341 11.619 3.262 618 1HD ARG 74 1HD ARG 74 -2.045 12.137 4.132 619 2HD ARG 74 2HD ARG 74 -2.633 13.749 4.539 620 HE ARG 74 HE ARG 74 -3.212 11.282 5.921 621 1HH1 ARG 74 1HH1 ARG 74 -5.087 14.705 6.815 622 2HH1 ARG 74 2HH1 ARG 74 -4.192 14.572 5.338 623 1HH2 ARG 74 1HH2 ARG 74 -4.387 11.444 7.869 624 2HH2 ARG 74 2HH2 ARG 74 -5.197 12.926 8.254 625 H GLY 75 H GLY 75 -4.494 13.357 -1.664 626 1HA GLY 75 1HA GLY 75 -6.384 15.098 -2.039 627 2HA GLY 75 2HA GLY 75 -5.362 16.084 -1.004 628 H GLY 76 H GLY 76 -5.223 17.591 -2.767 629 1HA GLY 76 1HA GLY 76 -4.093 18.563 -4.511 630 2HA GLY 76 2HA GLY 76 -2.858 17.339 -4.263 Start of MODEL 17 1 1H MET 1 1H MET 1 1.962 -20.839 -2.340 2 2H MET 1 2H MET 1 1.552 -19.230 -1.904 3 3H MET 1 3H MET 1 2.972 -19.958 -1.273 4 HA MET 1 HA MET 1 3.832 -20.135 -3.528 5 1HB MET 1 1HB MET 1 2.713 -18.848 -5.276 6 2HB MET 1 2HB MET 1 1.636 -20.081 -4.636 7 1HG MET 1 1HG MET 1 0.282 -18.543 -3.578 8 2HG MET 1 2HG MET 1 1.542 -17.311 -3.533 9 1HE MET 1 1HE MET 1 -1.356 -17.067 -4.088 10 2HE MET 1 2HE MET 1 -1.851 -16.679 -5.736 11 3HE MET 1 3HE MET 1 -0.869 -15.537 -4.817 12 H GLN 2 H GLN 2 5.125 -18.379 -4.391 13 HA GLN 2 HA GLN 2 5.646 -16.370 -2.364 14 1HB GLN 2 1HB GLN 2 7.116 -17.538 -4.647 15 2HB GLN 2 2HB GLN 2 7.465 -15.851 -4.300 16 1HG GLN 2 1HG GLN 2 9.051 -17.172 -3.132 17 2HG GLN 2 2HG GLN 2 7.932 -16.508 -1.942 18 1HE2 GLN 2 1HE2 GLN 2 7.046 -17.862 -0.549 19 2HE2 GLN 2 2HE2 GLN 2 7.016 -19.584 -0.692 20 H LEU 3 H LEU 3 6.015 -14.110 -2.958 21 HA LEU 3 HA LEU 3 4.669 -13.169 -5.361 22 1HB LEU 3 1HB LEU 3 3.819 -12.275 -2.605 23 2HB LEU 3 2HB LEU 3 3.226 -11.628 -4.122 24 HG LEU 3 HG LEU 3 2.867 -14.514 -3.340 25 1HD1 LEU 3 1HD1 LEU 3 1.455 -13.801 -1.769 26 2HD1 LEU 3 2HD1 LEU 3 0.409 -13.309 -3.101 27 3HD1 LEU 3 3HD1 LEU 3 1.500 -12.140 -2.359 28 1HD2 LEU 3 1HD2 LEU 3 0.944 -14.232 -4.982 29 2HD2 LEU 3 2HD2 LEU 3 2.574 -14.258 -5.656 30 3HD2 LEU 3 3HD2 LEU 3 1.724 -12.725 -5.464 31 H PHE 4 H PHE 4 5.200 -11.022 -5.929 32 HA PHE 4 HA PHE 4 7.488 -9.922 -4.433 33 1HB PHE 4 1HB PHE 4 6.936 -9.956 -7.399 34 2HB PHE 4 2HB PHE 4 8.159 -8.923 -6.668 35 HD1 PHE 4 HD1 PHE 4 10.303 -9.697 -6.851 36 HD2 PHE 4 HD2 PHE 4 7.126 -12.510 -6.427 37 HE1 PHE 4 HE1 PHE 4 11.931 -11.546 -6.959 38 HE2 PHE 4 HE2 PHE 4 8.747 -14.364 -6.533 39 HZ PHE 4 HZ PHE 4 11.153 -13.883 -6.798 40 H VAL 5 H VAL 5 7.490 -7.790 -3.910 41 HA VAL 5 HA VAL 5 5.247 -6.144 -4.870 42 HB VAL 5 HB VAL 5 6.211 -6.414 -2.024 43 1HG1 VAL 5 1HG1 VAL 5 4.162 -4.678 -1.845 44 2HG1 VAL 5 2HG1 VAL 5 4.850 -4.185 -3.393 45 3HG1 VAL 5 3HG1 VAL 5 5.853 -4.186 -1.942 46 1HG2 VAL 5 1HG2 VAL 5 4.169 -7.340 -1.530 47 2HG2 VAL 5 2HG2 VAL 5 4.419 -7.954 -3.164 48 3HG2 VAL 5 3HG2 VAL 5 3.364 -6.566 -2.896 49 H LYS 6 H LYS 6 5.996 -4.416 -5.888 50 HA LYS 6 HA LYS 6 8.492 -3.181 -4.923 51 1HB LYS 6 1HB LYS 6 9.017 -2.571 -7.236 52 2HB LYS 6 2HB LYS 6 8.877 -4.314 -7.056 53 1HG LYS 6 1HG LYS 6 7.481 -4.299 -8.772 54 2HG LYS 6 2HG LYS 6 6.319 -3.454 -7.748 55 1HD LYS 6 1HD LYS 6 6.441 -1.941 -9.441 56 2HD LYS 6 2HD LYS 6 7.802 -1.365 -8.476 57 1HE LYS 6 1HE LYS 6 8.789 -3.418 -10.135 58 2HE LYS 6 2HE LYS 6 7.783 -2.386 -11.151 59 1HZ LYS 6 1HZ LYS 6 10.374 -1.902 -10.267 60 2HZ LYS 6 2HZ LYS 6 9.384 -0.779 -9.484 61 3HZ LYS 6 3HZ LYS 6 9.382 -0.875 -11.173 62 H THR 7 H THR 7 8.614 -0.927 -4.970 63 HA THR 7 HA THR 7 6.005 0.408 -5.155 64 HB THR 7 HB THR 7 6.695 1.901 -3.524 65 HG1 THR 7 HG1 THR 7 9.332 1.291 -4.333 66 1HG2 THR 7 1HG2 THR 7 6.587 -0.130 -2.345 67 2HG2 THR 7 2HG2 THR 7 8.064 0.670 -1.807 68 3HG2 THR 7 3HG2 THR 7 8.152 -0.660 -2.962 69 H LEU 8 H LEU 8 7.079 3.051 -5.234 70 HA LEU 8 HA LEU 8 7.662 3.198 -8.081 71 1HB LEU 8 1HB LEU 8 7.340 5.556 -6.255 72 2HB LEU 8 2HB LEU 8 7.030 5.455 -7.977 73 HG LEU 8 HG LEU 8 5.352 4.355 -5.731 74 1HD1 LEU 8 1HD1 LEU 8 4.009 5.833 -7.805 75 2HD1 LEU 8 2HD1 LEU 8 5.332 6.775 -7.118 76 3HD1 LEU 8 3HD1 LEU 8 4.067 6.134 -6.068 77 1HD2 LEU 8 1HD2 LEU 8 5.765 2.968 -8.016 78 2HD2 LEU 8 2HD2 LEU 8 4.409 3.993 -8.488 79 3HD2 LEU 8 3HD2 LEU 8 4.266 2.932 -7.087 80 H THR 9 H THR 9 9.729 2.203 -6.338 81 HA THR 9 HA THR 9 11.790 4.204 -6.936 82 HB THR 9 HB THR 9 12.895 3.282 -4.734 83 HG1 THR 9 HG1 THR 9 11.477 1.859 -3.974 84 1HG2 THR 9 1HG2 THR 9 12.422 5.596 -4.893 85 2HG2 THR 9 2HG2 THR 9 11.723 5.022 -3.379 86 3HG2 THR 9 3HG2 THR 9 10.685 5.314 -4.774 87 H GLY 10 H GLY 10 11.106 0.839 -6.034 88 1HA GLY 10 1HA GLY 10 12.089 -0.645 -7.925 89 2HA GLY 10 2HA GLY 10 13.607 0.016 -7.338 90 H LYS 11 H LYS 11 12.931 0.021 -4.563 91 HA LYS 11 HA LYS 11 13.902 -2.347 -3.674 92 1HB LYS 11 1HB LYS 11 13.657 -0.596 -2.104 93 2HB LYS 11 2HB LYS 11 11.925 -0.482 -2.380 94 1HG LYS 11 1HG LYS 11 11.537 -2.549 -1.249 95 2HG LYS 11 2HG LYS 11 13.269 -2.869 -1.138 96 1HD LYS 11 1HD LYS 11 12.072 -0.405 0.080 97 2HD LYS 11 2HD LYS 11 12.051 -1.947 0.939 98 1HE LYS 11 1HE LYS 11 14.558 -2.038 0.503 99 2HE LYS 11 2HE LYS 11 14.429 -0.342 0.037 100 1HZ LYS 11 1HZ LYS 11 14.538 -1.473 2.630 101 2HZ LYS 11 2HZ LYS 11 13.114 -0.579 2.455 102 3HZ LYS 11 3HZ LYS 11 14.612 0.154 2.175 103 H THR 12 H THR 12 13.256 -4.306 -4.314 104 HA THR 12 HA THR 12 10.405 -4.899 -4.537 105 HB THR 12 HB THR 12 12.535 -6.912 -5.122 106 HG1 THR 12 HG1 THR 12 13.436 -5.502 -6.394 107 1HG2 THR 12 1HG2 THR 12 10.400 -6.380 -7.051 108 2HG2 THR 12 2HG2 THR 12 9.856 -6.967 -5.479 109 3HG2 THR 12 3HG2 THR 12 11.014 -7.908 -6.418 110 H LEU 13 H LEU 13 9.334 -6.358 -3.281 111 HA LEU 13 HA LEU 13 10.850 -7.565 -1.060 112 1HB LEU 13 1HB LEU 13 8.533 -5.812 -1.033 113 2HB LEU 13 2HB LEU 13 8.221 -7.316 -0.187 114 HG LEU 13 HG LEU 13 9.226 -5.193 1.045 115 1HD1 LEU 13 1HD1 LEU 13 8.899 -6.805 2.561 116 2HD1 LEU 13 2HD1 LEU 13 10.617 -7.143 2.351 117 3HD1 LEU 13 3HD1 LEU 13 9.419 -8.080 1.459 118 1HD2 LEU 13 1HD2 LEU 13 11.485 -4.924 0.999 119 2HD2 LEU 13 2HD2 LEU 13 11.232 -5.469 -0.659 120 3HD2 LEU 13 3HD2 LEU 13 11.791 -6.606 0.569 121 H THR 14 H THR 14 10.720 -9.705 -0.925 122 HA THR 14 HA THR 14 8.600 -11.064 -2.446 123 HB THR 14 HB THR 14 11.252 -12.198 -1.542 124 HG1 THR 14 HG1 THR 14 10.466 -10.962 -3.951 125 1HG2 THR 14 1HG2 THR 14 10.694 -14.142 -2.454 126 2HG2 THR 14 2HG2 THR 14 9.984 -13.369 -3.872 127 3HG2 THR 14 3HG2 THR 14 9.030 -13.557 -2.400 128 H VAL 15 H VAL 15 6.972 -11.613 -1.152 129 HA VAL 15 HA VAL 15 7.611 -12.745 1.493 130 HB VAL 15 HB VAL 15 5.048 -12.164 1.837 131 1HG1 VAL 15 1HG1 VAL 15 5.827 -9.869 2.663 132 2HG1 VAL 15 2HG1 VAL 15 7.423 -10.349 2.086 133 3HG1 VAL 15 3HG1 VAL 15 6.617 -11.294 3.336 134 1HG2 VAL 15 1HG2 VAL 15 5.789 -9.832 0.128 135 2HG2 VAL 15 2HG2 VAL 15 4.195 -10.411 0.613 136 3HG2 VAL 15 3HG2 VAL 15 5.108 -11.276 -0.624 137 H GLU 16 H GLU 16 6.175 -14.441 2.270 138 HA GLU 16 HA GLU 16 5.261 -16.145 0.057 139 1HB GLU 16 1HB GLU 16 5.601 -17.199 2.827 140 2HB GLU 16 2HB GLU 16 5.852 -18.004 1.285 141 1HG GLU 16 1HG GLU 16 8.018 -17.769 1.769 142 2HG GLU 16 2HG GLU 16 7.790 -16.116 1.196 143 H LEU 17 H LEU 17 3.175 -16.637 -0.161 144 HA LEU 17 HA LEU 17 1.374 -16.478 2.122 145 1HB LEU 17 1HB LEU 17 1.596 -14.341 0.348 146 2HB LEU 17 2HB LEU 17 0.165 -15.202 -0.185 147 HG LEU 17 HG LEU 17 -0.772 -15.022 2.096 148 1HD1 LEU 17 1HD1 LEU 17 1.787 -13.531 2.606 149 2HD1 LEU 17 2HD1 LEU 17 1.139 -14.922 3.475 150 3HD1 LEU 17 3HD1 LEU 17 0.355 -13.349 3.619 151 1HD2 LEU 17 1HD2 LEU 17 -0.019 -12.594 0.531 152 2HD2 LEU 17 2HD2 LEU 17 -0.897 -12.425 2.051 153 3HD2 LEU 17 3HD2 LEU 17 -1.596 -13.361 0.729 154 H GLU 18 H GLU 18 -1.025 -16.787 0.904 155 HA GLU 18 HA GLU 18 -0.734 -19.064 -0.923 156 1HB GLU 18 1HB GLU 18 -2.505 -19.071 1.528 157 2HB GLU 18 2HB GLU 18 -2.358 -20.368 0.349 158 1HG GLU 18 1HG GLU 18 0.174 -19.539 1.561 159 2HG GLU 18 2HG GLU 18 -0.996 -20.219 2.692 160 HA PRO 19 HA PRO 19 -4.017 -17.281 -3.235 161 1HB PRO 19 1HB PRO 19 -5.433 -19.531 -3.948 162 2HB PRO 19 2HB PRO 19 -3.948 -18.996 -4.740 163 1HG PRO 19 1HG PRO 19 -4.328 -21.087 -2.636 164 2HG PRO 19 2HG PRO 19 -3.282 -21.114 -4.068 165 1HD PRO 19 1HD PRO 19 -2.306 -20.616 -1.615 166 2HD PRO 19 2HD PRO 19 -1.654 -19.812 -3.058 167 H SER 20 H SER 20 -4.698 -19.334 -0.526 168 HA SER 20 HA SER 20 -7.521 -18.740 -0.457 169 1HB SER 20 1HB SER 20 -7.655 -20.225 1.323 170 2HB SER 20 2HB SER 20 -6.248 -20.848 0.462 171 HG SER 20 HG SER 20 -5.021 -19.407 1.944 172 H ASP 21 H ASP 21 -4.657 -17.227 0.564 173 HA ASP 21 HA ASP 21 -5.641 -15.859 2.853 174 1HB ASP 21 1HB ASP 21 -3.279 -15.477 1.033 175 2HB ASP 21 2HB ASP 21 -3.660 -14.282 2.269 176 H THR 22 H THR 22 -5.789 -13.435 2.930 177 HA THR 22 HA THR 22 -7.169 -12.422 0.532 178 HB THR 22 HB THR 22 -8.784 -11.351 1.860 179 HG1 THR 22 HG1 THR 22 -7.035 -11.819 4.035 180 1HG2 THR 22 1HG2 THR 22 -8.205 -13.921 3.314 181 2HG2 THR 22 2HG2 THR 22 -9.178 -13.752 1.851 182 3HG2 THR 22 3HG2 THR 22 -9.717 -13.015 3.360 183 H VAL 23 H VAL 23 -7.274 -9.977 0.497 184 HA VAL 23 HA VAL 23 -4.763 -8.873 0.294 185 HB VAL 23 HB VAL 23 -7.195 -7.242 1.008 186 1HG1 VAL 23 1HG1 VAL 23 -5.075 -6.033 0.900 187 2HG1 VAL 23 2HG1 VAL 23 -6.148 -5.558 -0.419 188 3HG1 VAL 23 3HG1 VAL 23 -4.799 -6.653 -0.728 189 1HG2 VAL 23 1HG2 VAL 23 -8.184 -8.296 -0.722 190 2HG2 VAL 23 2HG2 VAL 23 -6.653 -8.880 -1.376 191 3HG2 VAL 23 3HG2 VAL 23 -7.175 -7.227 -1.696 192 H GLU 24 H GLU 24 -7.026 -8.626 3.022 193 HA GLU 24 HA GLU 24 -5.694 -6.913 4.682 194 1HB GLU 24 1HB GLU 24 -7.848 -8.572 4.955 195 2HB GLU 24 2HB GLU 24 -6.700 -9.310 6.063 196 1HG GLU 24 1HG GLU 24 -6.451 -6.713 6.755 197 2HG GLU 24 2HG GLU 24 -8.140 -6.759 6.251 198 H ASN 25 H ASN 25 -5.085 -10.378 4.261 199 HA ASN 25 HA ASN 25 -3.060 -10.598 6.209 200 1HB ASN 25 1HB ASN 25 -3.391 -12.245 3.692 201 2HB ASN 25 2HB ASN 25 -2.495 -12.708 5.135 202 1HD2 ASN 25 1HD2 ASN 25 -4.191 -11.974 7.129 203 2HD2 ASN 25 2HD2 ASN 25 -5.643 -12.906 7.041 204 H LEU 26 H LEU 26 -2.854 -10.211 2.673 205 HA LEU 26 HA LEU 26 -0.117 -10.124 2.382 206 1HB LEU 26 1HB LEU 26 -1.438 -10.132 0.426 207 2HB LEU 26 2HB LEU 26 -2.317 -8.696 0.915 208 HG LEU 26 HG LEU 26 -0.333 -7.322 0.537 209 1HD1 LEU 26 1HD1 LEU 26 1.510 -8.628 -0.830 210 2HD1 LEU 26 2HD1 LEU 26 0.932 -9.980 0.145 211 3HD1 LEU 26 3HD1 LEU 26 1.559 -8.530 0.930 212 1HD2 LEU 26 1HD2 LEU 26 -0.352 -8.784 -1.996 213 2HD2 LEU 26 2HD2 LEU 26 -0.797 -7.114 -1.643 214 3HD2 LEU 26 3HD2 LEU 26 -1.957 -8.413 -1.367 215 H LYS 27 H LYS 27 -2.291 -7.365 2.979 216 HA LYS 27 HA LYS 27 -0.369 -5.366 3.112 217 1HB LYS 27 1HB LYS 27 -2.873 -5.513 4.798 218 2HB LYS 27 2HB LYS 27 -1.997 -4.060 4.333 219 1HG LYS 27 1HG LYS 27 -2.813 -5.641 2.039 220 2HG LYS 27 2HG LYS 27 -4.176 -5.138 3.043 221 1HD LYS 27 1HD LYS 27 -3.187 -2.805 2.974 222 2HD LYS 27 2HD LYS 27 -2.110 -3.404 1.710 223 1HE LYS 27 1HE LYS 27 -3.703 -3.148 0.184 224 2HE LYS 27 2HE LYS 27 -4.792 -4.183 1.108 225 1HZ LYS 27 1HZ LYS 27 -5.900 -2.159 0.946 226 2HZ LYS 27 2HZ LYS 27 -4.506 -1.246 1.233 227 3HZ LYS 27 3HZ LYS 27 -5.224 -2.111 2.496 228 H ALA 28 H ALA 28 -1.735 -7.292 5.780 229 HA ALA 28 HA ALA 28 -0.399 -6.264 7.921 230 1HB ALA 28 1HB ALA 28 -0.753 -9.223 7.479 231 2HB ALA 28 2HB ALA 28 -2.059 -8.137 7.954 232 3HB ALA 28 3HB ALA 28 -0.672 -8.366 9.018 233 H LYS 29 H LYS 29 0.851 -8.559 5.539 234 HA LYS 29 HA LYS 29 3.336 -9.030 6.788 235 1HB LYS 29 1HB LYS 29 2.557 -9.186 3.871 236 2HB LYS 29 2HB LYS 29 4.066 -9.799 4.533 237 1HG LYS 29 1HG LYS 29 1.498 -10.742 5.705 238 2HG LYS 29 2HG LYS 29 2.016 -11.381 4.144 239 1HD LYS 29 1HD LYS 29 4.302 -11.496 5.700 240 2HD LYS 29 2HD LYS 29 3.010 -11.956 6.812 241 1HE LYS 29 1HE LYS 29 2.850 -13.191 4.154 242 2HE LYS 29 2HE LYS 29 4.264 -13.657 5.100 243 1HZ LYS 29 1HZ LYS 29 2.424 -13.937 6.947 244 2HZ LYS 29 2HZ LYS 29 2.783 -15.178 5.855 245 3HZ LYS 29 3HZ LYS 29 1.435 -14.190 5.598 246 H ILE 30 H ILE 30 2.346 -6.723 4.277 247 HA ILE 30 HA ILE 30 4.866 -5.574 3.830 248 HB ILE 30 HB ILE 30 2.189 -4.193 3.611 249 1HG1 ILE 30 1HG1 ILE 30 3.679 -6.009 1.719 250 2HG1 ILE 30 2HG1 ILE 30 2.029 -6.175 2.308 251 1HG2 ILE 30 1HG2 ILE 30 4.465 -2.917 3.505 252 2HG2 ILE 30 2HG2 ILE 30 3.201 -2.577 2.322 253 3HG2 ILE 30 3HG2 ILE 30 4.557 -3.619 1.890 254 1HD1 ILE 30 1HD1 ILE 30 2.899 -4.992 -0.075 255 2HD1 ILE 30 2HD1 ILE 30 2.309 -3.680 0.947 256 3HD1 ILE 30 3HD1 ILE 30 1.260 -5.048 0.575 257 H GLN 31 H GLN 31 2.568 -5.153 6.390 258 HA GLN 31 HA GLN 31 3.761 -2.692 7.344 259 1HB GLN 31 1HB GLN 31 1.381 -2.950 7.637 260 2HB GLN 31 2HB GLN 31 1.605 -4.478 8.477 261 1HG GLN 31 1HG GLN 31 2.698 -3.322 10.318 262 2HG GLN 31 2HG GLN 31 2.513 -1.787 9.471 263 1HE2 GLN 31 1HE2 GLN 31 1.399 -1.128 11.420 264 2HE2 GLN 31 2HE2 GLN 31 -0.276 -1.510 11.608 265 H ASP 32 H ASP 32 4.321 -6.021 7.670 266 HA ASP 32 HA ASP 32 5.574 -5.800 10.282 267 1HB ASP 32 1HB ASP 32 4.398 -7.899 8.799 268 2HB ASP 32 2HB ASP 32 6.091 -8.312 9.044 269 H LYS 33 H LYS 33 6.452 -6.132 6.905 270 HA LYS 33 HA LYS 33 9.292 -6.245 7.613 271 1HB LYS 33 1HB LYS 33 7.684 -7.217 5.398 272 2HB LYS 33 2HB LYS 33 9.083 -6.313 4.836 273 1HG LYS 33 1HG LYS 33 10.451 -7.991 5.310 274 2HG LYS 33 2HG LYS 33 9.815 -8.128 6.950 275 1HD LYS 33 1HD LYS 33 7.901 -9.425 6.044 276 2HD LYS 33 2HD LYS 33 8.664 -9.370 4.453 277 1HE LYS 33 1HE LYS 33 9.301 -11.444 5.318 278 2HE LYS 33 2HE LYS 33 10.701 -10.410 5.599 279 1HZ LYS 33 1HZ LYS 33 8.676 -11.295 7.572 280 2HZ LYS 33 2HZ LYS 33 9.770 -10.043 7.886 281 3HZ LYS 33 3HZ LYS 33 10.340 -11.606 7.577 282 H GLU 34 H GLU 34 7.110 -4.409 5.472 283 HA GLU 34 HA GLU 34 9.139 -2.330 5.199 284 1HB GLU 34 1HB GLU 34 6.776 -3.182 3.674 285 2HB GLU 34 2HB GLU 34 6.972 -1.439 3.784 286 1HG GLU 34 1HG GLU 34 8.826 -3.458 2.580 287 2HG GLU 34 2HG GLU 34 8.081 -2.049 1.825 288 H GLY 35 H GLY 35 6.939 -3.019 7.464 289 1HA GLY 35 1HA GLY 35 5.671 -1.800 8.956 290 2HA GLY 35 2HA GLY 35 7.003 -0.664 8.828 291 H ILE 36 H ILE 36 4.746 -1.528 6.260 292 HA ILE 36 HA ILE 36 3.917 1.289 6.160 293 HB ILE 36 HB ILE 36 3.904 -0.868 4.055 294 1HG1 ILE 36 1HG1 ILE 36 5.130 1.858 3.810 295 2HG1 ILE 36 2HG1 ILE 36 5.975 0.601 4.708 296 1HG2 ILE 36 1HG2 ILE 36 2.032 0.127 3.304 297 2HG2 ILE 36 2HG2 ILE 36 3.149 1.359 2.718 298 3HG2 ILE 36 3HG2 ILE 36 2.306 1.590 4.250 299 1HD1 ILE 36 1HD1 ILE 36 5.376 -0.731 2.442 300 2HD1 ILE 36 2HD1 ILE 36 6.881 0.147 2.715 301 3HD1 ILE 36 3HD1 ILE 36 5.564 0.910 1.823 302 HA PRO 37 HA PRO 37 -0.005 0.012 7.879 303 1HB PRO 37 1HB PRO 37 -0.857 2.647 6.823 304 2HB PRO 37 2HB PRO 37 -0.958 2.006 8.466 305 1HG PRO 37 1HG PRO 37 0.832 3.882 7.827 306 2HG PRO 37 2HG PRO 37 1.230 2.582 8.967 307 1HD PRO 37 1HD PRO 37 1.993 2.884 6.089 308 2HD PRO 37 2HD PRO 37 2.956 2.280 7.455 309 HA PRO 38 HA PRO 38 -1.945 -1.652 4.238 310 1HB PRO 38 1HB PRO 38 -4.301 -1.784 6.045 311 2HB PRO 38 2HB PRO 38 -3.547 -3.060 5.084 312 1HG PRO 38 1HG PRO 38 -3.213 -2.964 7.728 313 2HG PRO 38 2HG PRO 38 -1.883 -3.441 6.655 314 1HD PRO 38 1HD PRO 38 -2.348 -0.847 8.066 315 2HD PRO 38 2HD PRO 38 -0.826 -1.709 7.762 316 H ASP 39 H ASP 39 -3.404 0.872 6.212 317 HA ASP 39 HA ASP 39 -5.472 1.604 4.448 318 1HB ASP 39 1HB ASP 39 -4.120 2.834 6.784 319 2HB ASP 39 2HB ASP 39 -4.979 3.934 5.708 320 H GLN 40 H GLN 40 -2.075 2.406 4.560 321 HA GLN 40 HA GLN 40 -2.420 4.288 2.331 322 1HB GLN 40 1HB GLN 40 0.131 3.824 3.862 323 2HB GLN 40 2HB GLN 40 -0.313 5.213 2.879 324 1HG GLN 40 1HG GLN 40 -2.164 5.608 4.593 325 2HG GLN 40 2HG GLN 40 -1.286 4.467 5.611 326 1HE2 GLN 40 1HE2 GLN 40 1.283 5.058 5.227 327 2HE2 GLN 40 2HE2 GLN 40 1.630 6.682 5.704 328 H GLN 41 H GLN 41 -2.472 1.289 2.221 329 HA GLN 41 HA GLN 41 -0.129 0.806 0.516 330 1HB GLN 41 1HB GLN 41 -1.935 -0.963 2.108 331 2HB GLN 41 2HB GLN 41 -1.143 -1.628 0.688 332 1HG GLN 41 1HG GLN 41 1.037 -0.919 1.636 333 2HG GLN 41 2HG GLN 41 0.187 -0.412 3.096 334 1HE2 GLN 41 1HE2 GLN 41 0.123 -1.835 4.669 335 2HE2 GLN 41 2HE2 GLN 41 0.266 -3.548 4.503 336 H ARG 42 H ARG 42 -0.386 0.911 -1.609 337 HA ARG 42 HA ARG 42 -3.078 0.463 -2.722 338 1HB ARG 42 1HB ARG 42 -1.796 2.778 -2.896 339 2HB ARG 42 2HB ARG 42 -1.006 1.976 -4.246 340 1HG ARG 42 1HG ARG 42 -3.026 1.731 -5.421 341 2HG ARG 42 2HG ARG 42 -3.993 2.109 -3.994 342 1HD ARG 42 1HD ARG 42 -4.105 4.113 -5.085 343 2HD ARG 42 2HD ARG 42 -2.660 4.378 -4.109 344 HE ARG 42 HE ARG 42 -1.828 3.287 -6.522 345 1HH1 ARG 42 1HH1 ARG 42 -2.806 7.166 -6.668 346 2HH1 ARG 42 2HH1 ARG 42 -3.418 6.170 -5.389 347 1HH2 ARG 42 1HH2 ARG 42 -1.017 4.588 -8.210 348 2HH2 ARG 42 2HH2 ARG 42 -1.441 6.265 -8.272 349 H LEU 43 H LEU 43 -2.814 -1.754 -3.042 350 HA LEU 43 HA LEU 43 -0.592 -2.681 -4.676 351 1HB LEU 43 1HB LEU 43 -2.859 -4.427 -3.810 352 2HB LEU 43 2HB LEU 43 -1.174 -4.842 -4.063 353 HG LEU 43 HG LEU 43 -1.935 -3.014 -1.818 354 1HD1 LEU 43 1HD1 LEU 43 -3.208 -4.613 -0.924 355 2HD1 LEU 43 2HD1 LEU 43 -1.702 -5.492 -0.659 356 3HD1 LEU 43 3HD1 LEU 43 -2.672 -5.816 -2.096 357 1HD2 LEU 43 1HD2 LEU 43 0.095 -3.734 -0.859 358 2HD2 LEU 43 2HD2 LEU 43 0.449 -3.445 -2.562 359 3HD2 LEU 43 3HD2 LEU 43 0.230 -5.093 -1.975 360 H ILE 44 H ILE 44 -0.740 -2.494 -6.807 361 HA ILE 44 HA ILE 44 -3.370 -2.904 -8.074 362 HB ILE 44 HB ILE 44 -1.070 -1.240 -9.107 363 1HG1 ILE 44 1HG1 ILE 44 -3.780 -0.250 -8.230 364 2HG1 ILE 44 2HG1 ILE 44 -2.424 -0.361 -7.112 365 1HG2 ILE 44 1HG2 ILE 44 -2.427 -0.669 -10.949 366 2HG2 ILE 44 2HG2 ILE 44 -3.859 -1.394 -10.217 367 3HG2 ILE 44 3HG2 ILE 44 -2.547 -2.422 -10.792 368 1HD1 ILE 44 1HD1 ILE 44 -1.214 1.027 -8.997 369 2HD1 ILE 44 2HD1 ILE 44 -2.216 1.800 -7.768 370 3HD1 ILE 44 3HD1 ILE 44 -2.871 1.495 -9.377 371 H PHE 45 H PHE 45 -2.846 -5.203 -8.072 372 HA PHE 45 HA PHE 45 -0.615 -6.291 -9.384 373 1HB PHE 45 1HB PHE 45 -1.779 -7.790 -8.015 374 2HB PHE 45 2HB PHE 45 -3.340 -7.351 -8.699 375 HD1 PHE 45 HD1 PHE 45 -0.083 -8.741 -9.901 376 HD2 PHE 45 HD2 PHE 45 -4.342 -8.930 -10.017 377 HE1 PHE 45 HE1 PHE 45 0.048 -10.670 -11.431 378 HE2 PHE 45 HE2 PHE 45 -4.219 -10.860 -11.547 379 HZ PHE 45 HZ PHE 45 -2.021 -11.731 -12.254 380 H ALA 46 H ALA 46 -0.080 -5.908 -11.428 381 HA ALA 46 HA ALA 46 -0.211 -5.565 -13.678 382 1HB ALA 46 1HB ALA 46 -1.113 -7.308 -14.803 383 2HB ALA 46 2HB ALA 46 -2.653 -7.202 -13.952 384 3HB ALA 46 3HB ALA 46 -1.271 -7.976 -13.179 385 H GLY 47 H GLY 47 -1.526 -3.613 -12.090 386 1HA GLY 47 1HA GLY 47 -2.679 -1.676 -12.687 387 2HA GLY 47 2HA GLY 47 -3.272 -2.500 -14.120 388 H LYS 48 H LYS 48 -3.759 -4.485 -11.509 389 HA LYS 48 HA LYS 48 -6.567 -3.648 -11.333 390 1HB LYS 48 1HB LYS 48 -5.416 -6.141 -11.777 391 2HB LYS 48 2HB LYS 48 -5.931 -6.203 -10.096 392 1HG LYS 48 1HG LYS 48 -8.191 -5.435 -10.858 393 2HG LYS 48 2HG LYS 48 -7.629 -5.658 -12.517 394 1HD LYS 48 1HD LYS 48 -7.119 -7.956 -10.783 395 2HD LYS 48 2HD LYS 48 -8.833 -7.577 -10.972 396 1HE LYS 48 1HE LYS 48 -8.812 -7.980 -13.236 397 2HE LYS 48 2HE LYS 48 -7.089 -7.640 -13.389 398 1HZ LYS 48 1HZ LYS 48 -6.676 -9.736 -12.157 399 2HZ LYS 48 2HZ LYS 48 -7.425 -9.969 -13.655 400 3HZ LYS 48 3HZ LYS 48 -8.333 -10.074 -12.233 401 H GLN 49 H GLN 49 -7.212 -2.622 -9.569 402 HA GLN 49 HA GLN 49 -5.519 -2.388 -7.269 403 1HB GLN 49 1HB GLN 49 -7.012 -0.565 -8.159 404 2HB GLN 49 2HB GLN 49 -8.386 -1.479 -7.549 405 1HG GLN 49 1HG GLN 49 -7.657 -1.223 -5.300 406 2HG GLN 49 2HG GLN 49 -6.113 -0.546 -5.817 407 1HE2 GLN 49 1HE2 GLN 49 -9.431 0.130 -6.854 408 2HE2 GLN 49 2HE2 GLN 49 -9.396 1.813 -6.463 409 H LEU 50 H LEU 50 -5.428 -3.756 -5.626 410 HA LEU 50 HA LEU 50 -7.297 -5.907 -5.358 411 1HB LEU 50 1HB LEU 50 -5.194 -5.095 -3.360 412 2HB LEU 50 2HB LEU 50 -5.913 -6.680 -3.576 413 HG LEU 50 HG LEU 50 -3.873 -5.305 -5.296 414 1HD1 LEU 50 1HD1 LEU 50 -3.474 -8.094 -4.822 415 2HD1 LEU 50 2HD1 LEU 50 -3.792 -7.277 -3.293 416 3HD1 LEU 50 3HD1 LEU 50 -2.476 -6.726 -4.329 417 1HD2 LEU 50 1HD2 LEU 50 -4.242 -7.520 -6.687 418 2HD2 LEU 50 2HD2 LEU 50 -5.161 -6.053 -7.026 419 3HD2 LEU 50 3HD2 LEU 50 -5.887 -7.347 -6.073 420 H GLU 51 H GLU 51 -9.029 -6.068 -4.068 421 HA GLU 51 HA GLU 51 -9.719 -3.751 -2.424 422 1HB GLU 51 1HB GLU 51 -11.514 -6.094 -3.013 423 2HB GLU 51 2HB GLU 51 -11.970 -4.461 -2.549 424 1HG GLU 51 1HG GLU 51 -11.697 -3.633 -4.657 425 2HG GLU 51 2HG GLU 51 -10.488 -4.839 -5.094 426 H ASP 52 H ASP 52 -9.568 -3.787 -0.283 427 HA ASP 52 HA ASP 52 -8.440 -5.863 1.168 428 1HB ASP 52 1HB ASP 52 -8.400 -3.688 2.119 429 2HB ASP 52 2HB ASP 52 -10.153 -3.536 2.030 430 H GLY 53 H GLY 53 -9.336 -7.862 0.998 431 1HA GLY 53 1HA GLY 53 -11.011 -9.060 2.549 432 2HA GLY 53 2HA GLY 53 -12.196 -8.144 1.631 433 H ARG 54 H ARG 54 -10.060 -8.628 -0.656 434 HA ARG 54 HA ARG 54 -11.409 -11.018 -1.633 435 1HB ARG 54 1HB ARG 54 -9.466 -9.175 -3.039 436 2HB ARG 54 2HB ARG 54 -10.397 -10.463 -3.793 437 1HG ARG 54 1HG ARG 54 -11.666 -8.128 -2.388 438 2HG ARG 54 2HG ARG 54 -11.281 -8.133 -4.111 439 1HD ARG 54 1HD ARG 54 -13.457 -8.848 -4.168 440 2HD ARG 54 2HD ARG 54 -12.612 -10.391 -4.082 441 HE ARG 54 HE ARG 54 -13.263 -9.388 -1.495 442 1HH1 ARG 54 1HH1 ARG 54 -15.807 -11.847 -3.369 443 2HH1 ARG 54 2HH1 ARG 54 -14.570 -11.036 -4.270 444 1HH2 ARG 54 1HH2 ARG 54 -14.887 -10.451 -0.297 445 2HH2 ARG 54 2HH2 ARG 54 -15.986 -11.514 -1.108 446 H THR 55 H THR 55 -10.344 -12.883 -2.316 447 HA THR 55 HA THR 55 -7.822 -13.377 -0.950 448 HB THR 55 HB THR 55 -8.276 -15.672 -1.178 449 HG1 THR 55 HG1 THR 55 -10.021 -16.345 -2.639 450 1HG2 THR 55 1HG2 THR 55 -10.613 -14.021 -0.558 451 2HG2 THR 55 2HG2 THR 55 -9.879 -15.345 0.345 452 3HG2 THR 55 3HG2 THR 55 -10.972 -15.691 -0.996 453 H LEU 56 H LEU 56 -5.913 -13.858 -1.930 454 HA LEU 56 HA LEU 56 -5.164 -12.772 -4.291 455 1HB LEU 56 1HB LEU 56 -4.039 -15.416 -3.403 456 2HB LEU 56 2HB LEU 56 -3.215 -14.120 -4.246 457 HG LEU 56 HG LEU 56 -4.024 -14.232 -1.353 458 1HD1 LEU 56 1HD1 LEU 56 -1.377 -13.273 -2.079 459 2HD1 LEU 56 2HD1 LEU 56 -1.699 -14.909 -2.657 460 3HD1 LEU 56 3HD1 LEU 56 -1.855 -14.533 -0.941 461 1HD2 LEU 56 1HD2 LEU 56 -3.533 -11.943 -1.079 462 2HD2 LEU 56 2HD2 LEU 56 -4.628 -12.030 -2.458 463 3HD2 LEU 56 3HD2 LEU 56 -2.899 -11.801 -2.718 464 H SER 57 H SER 57 -6.679 -15.909 -3.838 465 HA SER 57 HA SER 57 -6.308 -16.889 -6.457 466 1HB SER 57 1HB SER 57 -6.927 -18.524 -4.905 467 2HB SER 57 2HB SER 57 -8.224 -17.534 -4.236 468 HG SER 57 HG SER 57 -8.887 -19.311 -5.643 469 H ASP 58 H ASP 58 -8.727 -14.801 -5.014 470 HA ASP 58 HA ASP 58 -10.696 -14.890 -6.977 471 1HB ASP 58 1HB ASP 58 -9.825 -12.780 -5.027 472 2HB ASP 58 2HB ASP 58 -11.081 -12.425 -6.211 473 H TYR 59 H TYR 59 -7.586 -13.339 -6.980 474 HA TYR 59 HA TYR 59 -8.228 -11.949 -9.484 475 1HB TYR 59 1HB TYR 59 -5.928 -11.640 -7.550 476 2HB TYR 59 2HB TYR 59 -6.011 -10.810 -9.100 477 HD1 TYR 59 HD1 TYR 59 -8.257 -9.454 -9.496 478 HD2 TYR 59 HD2 TYR 59 -6.721 -10.547 -5.672 479 HE1 TYR 59 HE1 TYR 59 -9.568 -7.644 -8.459 480 HE2 TYR 59 HE2 TYR 59 -8.029 -8.740 -4.625 481 HH TYR 59 HH TYR 59 -10.233 -6.720 -6.536 482 H ASN 60 H ASN 60 -7.821 -14.840 -9.294 483 HA ASN 60 HA ASN 60 -6.541 -16.545 -10.162 484 1HB ASN 60 1HB ASN 60 -5.914 -15.972 -12.619 485 2HB ASN 60 2HB ASN 60 -7.615 -16.010 -12.162 486 1HD2 ASN 60 1HD2 ASN 60 -4.994 -14.088 -13.252 487 2HD2 ASN 60 2HD2 ASN 60 -5.871 -12.613 -13.459 488 H LEU 61 H LEU 61 -4.980 -15.003 -8.448 489 HA LEU 61 HA LEU 61 -2.577 -14.065 -9.548 490 1HB LEU 61 1HB LEU 61 -3.507 -14.898 -6.860 491 2HB LEU 61 2HB LEU 61 -1.772 -14.860 -7.113 492 HG LEU 61 HG LEU 61 -3.113 -12.754 -6.210 493 1HD1 LEU 61 1HD1 LEU 61 -0.901 -12.339 -6.229 494 2HD1 LEU 61 2HD1 LEU 61 -1.293 -11.423 -7.684 495 3HD1 LEU 61 3HD1 LEU 61 -0.668 -13.067 -7.818 496 1HD2 LEU 61 1HD2 LEU 61 -3.043 -12.110 -9.134 497 2HD2 LEU 61 2HD2 LEU 61 -3.864 -11.260 -7.824 498 3HD2 LEU 61 3HD2 LEU 61 -4.479 -12.813 -8.389 499 H GLN 62 H GLN 62 -0.520 -15.010 -9.704 500 HA GLN 62 HA GLN 62 -0.523 -17.956 -9.762 501 1HB GLN 62 1HB GLN 62 0.683 -15.974 -11.677 502 2HB GLN 62 2HB GLN 62 1.281 -17.625 -11.572 503 1HG GLN 62 1HG GLN 62 -1.502 -17.835 -11.781 504 2HG GLN 62 2HG GLN 62 -1.017 -16.601 -12.944 505 1HE2 GLN 62 1HE2 GLN 62 -0.724 -17.410 -14.880 506 2HE2 GLN 62 2HE2 GLN 62 -0.051 -18.956 -15.255 507 H LYS 63 H LYS 63 1.972 -18.656 -9.984 508 HA LYS 63 HA LYS 63 3.133 -17.954 -7.473 509 1HB LYS 63 1HB LYS 63 3.298 -20.221 -8.433 510 2HB LYS 63 2HB LYS 63 4.291 -19.587 -9.738 511 1HG LYS 63 1HG LYS 63 5.520 -18.749 -7.364 512 2HG LYS 63 2HG LYS 63 5.064 -20.438 -7.117 513 1HD LYS 63 1HD LYS 63 6.281 -19.804 -9.727 514 2HD LYS 63 2HD LYS 63 7.346 -19.658 -8.327 515 1HE LYS 63 1HE LYS 63 5.802 -22.079 -9.229 516 2HE LYS 63 2HE LYS 63 7.553 -21.881 -9.158 517 1HZ LYS 63 1HZ LYS 63 6.832 -21.403 -6.616 518 2HZ LYS 63 2HZ LYS 63 7.339 -22.909 -7.196 519 3HZ LYS 63 3HZ LYS 63 5.688 -22.568 -7.063 520 H GLU 64 H GLU 64 4.440 -16.310 -7.049 521 HA GLU 64 HA GLU 64 5.992 -14.660 -7.273 522 1HB GLU 64 1HB GLU 64 6.737 -15.946 -9.902 523 2HB GLU 64 2HB GLU 64 7.724 -14.861 -8.932 524 1HG GLU 64 1HG GLU 64 7.759 -16.572 -7.142 525 2HG GLU 64 2HG GLU 64 6.888 -17.662 -8.220 526 H SER 65 H SER 65 4.204 -13.203 -7.502 527 HA SER 65 HA SER 65 3.801 -12.227 -10.251 528 1HB SER 65 1HB SER 65 2.010 -12.189 -7.829 529 2HB SER 65 2HB SER 65 1.728 -11.119 -9.201 530 HG SER 65 HG SER 65 1.817 -13.152 -10.479 531 H THR 66 H THR 66 4.215 -10.131 -10.744 532 HA THR 66 HA THR 66 5.564 -8.549 -8.684 533 HB THR 66 HB THR 66 5.504 -8.337 -11.696 534 HG1 THR 66 HG1 THR 66 7.434 -9.209 -11.593 535 1HG2 THR 66 1HG2 THR 66 5.653 -6.103 -10.414 536 2HG2 THR 66 2HG2 THR 66 6.833 -6.454 -11.678 537 3HG2 THR 66 3HG2 THR 66 7.272 -6.652 -9.981 538 H ILE 67 H ILE 67 4.039 -7.478 -7.538 539 HA ILE 67 HA ILE 67 1.995 -5.967 -9.016 540 HB ILE 67 HB ILE 67 2.111 -6.648 -6.075 541 1HG1 ILE 67 1HG1 ILE 67 -0.055 -7.932 -6.896 542 2HG1 ILE 67 2HG1 ILE 67 0.791 -7.908 -8.441 543 1HG2 ILE 67 1HG2 ILE 67 0.826 -4.779 -6.006 544 2HG2 ILE 67 2HG2 ILE 67 -0.427 -5.931 -6.469 545 3HG2 ILE 67 3HG2 ILE 67 0.336 -4.917 -7.694 546 1HD1 ILE 67 1HD1 ILE 67 1.176 -9.627 -6.201 547 2HD1 ILE 67 2HD1 ILE 67 2.664 -8.738 -6.525 548 3HD1 ILE 67 3HD1 ILE 67 1.914 -9.695 -7.801 549 H HIS 68 H HIS 68 1.636 -3.774 -8.584 550 HA HIS 68 HA HIS 68 4.001 -2.371 -7.584 551 1HB HIS 68 1HB HIS 68 1.628 -1.264 -9.101 552 2HB HIS 68 2HB HIS 68 3.132 -0.418 -8.746 553 HD1 HIS 68 HD1 HIS 68 3.294 -0.108 -11.388 554 HD2 HIS 68 HD2 HIS 68 3.668 -4.006 -9.997 555 HE1 HIS 68 HE1 HIS 68 4.286 -1.410 -13.297 556 HE2 HIS 68 HE2 HIS 68 4.429 -3.781 -12.459 557 H LEU 69 H LEU 69 4.010 -1.313 -5.711 558 HA LEU 69 HA LEU 69 1.435 -0.907 -4.338 559 1HB LEU 69 1HB LEU 69 2.785 -2.501 -3.153 560 2HB LEU 69 2HB LEU 69 4.184 -1.447 -3.228 561 HG LEU 69 HG LEU 69 2.398 0.138 -1.908 562 1HD1 LEU 69 1HD1 LEU 69 0.679 -1.458 -1.665 563 2HD1 LEU 69 2HD1 LEU 69 1.497 -1.388 -0.105 564 3HD1 LEU 69 3HD1 LEU 69 1.816 -2.726 -1.207 565 1HD2 LEU 69 1HD2 LEU 69 3.764 -1.491 0.001 566 2HD2 LEU 69 2HD2 LEU 69 4.120 0.158 -0.514 567 3HD2 LEU 69 3HD2 LEU 69 4.813 -1.208 -1.388 568 H VAL 70 H VAL 70 0.840 1.076 -3.848 569 HA VAL 70 HA VAL 70 2.871 3.205 -3.851 570 HB VAL 70 HB VAL 70 0.191 4.059 -4.676 571 1HG1 VAL 70 1HG1 VAL 70 2.988 4.743 -5.100 572 2HG1 VAL 70 2HG1 VAL 70 1.552 5.766 -5.135 573 3HG1 VAL 70 3HG1 VAL 70 2.020 4.854 -6.570 574 1HG2 VAL 70 1HG2 VAL 70 0.252 3.196 -6.911 575 2HG2 VAL 70 2HG2 VAL 70 0.351 1.836 -5.792 576 3HG2 VAL 70 3HG2 VAL 70 1.801 2.407 -6.616 577 H LEU 71 H LEU 71 1.120 5.279 -3.268 578 HA LEU 71 HA LEU 71 0.063 4.538 -0.622 579 1HB LEU 71 1HB LEU 71 2.315 6.024 -0.990 580 2HB LEU 71 2HB LEU 71 1.094 7.280 -0.915 581 HG LEU 71 HG LEU 71 0.941 5.240 1.214 582 1HD1 LEU 71 1HD1 LEU 71 3.324 7.002 0.828 583 2HD1 LEU 71 2HD1 LEU 71 3.246 5.320 1.354 584 3HD1 LEU 71 3HD1 LEU 71 2.758 6.610 2.452 585 1HD2 LEU 71 1HD2 LEU 71 0.762 8.241 1.068 586 2HD2 LEU 71 2HD2 LEU 71 0.628 7.323 2.567 587 3HD2 LEU 71 3HD2 LEU 71 -0.556 7.090 1.283 588 H ARG 72 H ARG 72 -1.778 5.628 0.079 589 HA ARG 72 HA ARG 72 -3.527 6.532 -1.977 590 1HB ARG 72 1HB ARG 72 -4.318 5.320 0.022 591 2HB ARG 72 2HB ARG 72 -3.851 6.686 1.026 592 1HG ARG 72 1HG ARG 72 -5.458 8.092 -0.254 593 2HG ARG 72 2HG ARG 72 -5.996 6.630 -1.082 594 1HD ARG 72 1HD ARG 72 -7.530 6.718 0.611 595 2HD ARG 72 2HD ARG 72 -6.280 5.742 1.380 596 HE ARG 72 HE ARG 72 -7.003 8.482 2.018 597 1HH1 ARG 72 1HH1 ARG 72 -4.088 6.493 3.908 598 2HH1 ARG 72 2HH1 ARG 72 -4.753 5.856 2.442 599 1HH2 ARG 72 1HH2 ARG 72 -6.133 9.329 3.947 600 2HH2 ARG 72 2HH2 ARG 72 -4.872 8.466 4.763 601 H LEU 73 H LEU 73 -4.546 8.597 -2.145 602 HA LEU 73 HA LEU 73 -2.838 10.768 -2.213 603 1HB LEU 73 1HB LEU 73 -5.757 10.378 -2.389 604 2HB LEU 73 2HB LEU 73 -5.243 11.998 -1.958 605 HG LEU 73 HG LEU 73 -5.616 11.328 -4.468 606 1HD1 LEU 73 1HD1 LEU 73 -3.071 12.795 -4.042 607 2HD1 LEU 73 2HD1 LEU 73 -4.533 13.433 -3.291 608 3HD1 LEU 73 3HD1 LEU 73 -4.466 13.209 -5.040 609 1HD2 LEU 73 1HD2 LEU 73 -3.903 10.295 -5.584 610 2HD2 LEU 73 2HD2 LEU 73 -3.862 9.426 -4.051 611 3HD2 LEU 73 3HD2 LEU 73 -2.704 10.720 -4.363 612 H ARG 74 H ARG 74 -2.465 12.542 -0.898 613 HA ARG 74 HA ARG 74 -3.332 12.226 1.901 614 1HB ARG 74 1HB ARG 74 -0.809 12.051 1.166 615 2HB ARG 74 2HB ARG 74 -0.905 13.807 1.153 616 1HG ARG 74 1HG ARG 74 -1.989 12.543 3.566 617 2HG ARG 74 2HG ARG 74 -0.258 12.307 3.314 618 1HD ARG 74 1HD ARG 74 -0.164 14.829 2.895 619 2HD ARG 74 2HD ARG 74 -1.780 14.881 3.598 620 HE ARG 74 HE ARG 74 -0.030 13.481 5.312 621 1HH1 ARG 74 1HH1 ARG 74 -0.163 17.470 5.625 622 2HH1 ARG 74 2HH1 ARG 74 -0.739 16.699 4.186 623 1HH2 ARG 74 1HH2 ARG 74 0.732 14.485 7.212 624 2HH2 ARG 74 2HH2 ARG 74 0.675 16.212 7.347 625 H GLY 75 H GLY 75 -5.176 13.497 1.762 626 1HA GLY 75 1HA GLY 75 -5.320 16.006 2.508 627 2HA GLY 75 2HA GLY 75 -4.868 16.259 0.829 628 H GLY 76 H GLY 76 -7.237 14.377 2.723 629 1HA GLY 76 1HA GLY 76 -9.471 15.585 1.475 630 2HA GLY 76 2HA GLY 76 -9.122 14.048 0.700 Start of MODEL 18 1 1H MET 1 1H MET 1 2.047 -19.949 -2.593 2 2H MET 1 2H MET 1 3.429 -19.673 -1.614 3 3H MET 1 3H MET 1 3.314 -21.102 -2.557 4 HA MET 1 HA MET 1 4.514 -20.040 -4.017 5 1HB MET 1 1HB MET 1 3.205 -18.798 -5.611 6 2HB MET 1 2HB MET 1 2.197 -20.078 -4.949 7 1HG MET 1 1HG MET 1 1.133 -18.464 -3.454 8 2HG MET 1 2HG MET 1 2.138 -17.182 -4.128 9 1HE MET 1 1HE MET 1 -0.479 -16.164 -4.233 10 2HE MET 1 2HE MET 1 -1.272 -17.720 -3.985 11 3HE MET 1 3HE MET 1 -1.665 -16.747 -5.402 12 H GLN 2 H GLN 2 5.698 -18.170 -4.661 13 HA GLN 2 HA GLN 2 5.956 -16.223 -2.510 14 1HB GLN 2 1HB GLN 2 7.731 -17.422 -4.434 15 2HB GLN 2 2HB GLN 2 7.830 -15.670 -4.540 16 1HG GLN 2 1HG GLN 2 8.528 -15.458 -2.320 17 2HG GLN 2 2HG GLN 2 8.017 -17.096 -1.913 18 1HE2 GLN 2 1HE2 GLN 2 10.348 -16.807 -1.053 19 2HE2 GLN 2 2HE2 GLN 2 11.591 -17.397 -2.097 20 H LEU 3 H LEU 3 6.194 -13.930 -2.994 21 HA LEU 3 HA LEU 3 4.962 -13.027 -5.484 22 1HB LEU 3 1HB LEU 3 3.985 -11.831 -2.924 23 2HB LEU 3 2HB LEU 3 3.226 -11.841 -4.505 24 HG LEU 3 HG LEU 3 3.499 -14.290 -2.765 25 1HD1 LEU 3 1HD1 LEU 3 1.861 -12.093 -2.304 26 2HD1 LEU 3 2HD1 LEU 3 1.681 -13.712 -1.628 27 3HD1 LEU 3 3HD1 LEU 3 0.820 -13.272 -3.102 28 1HD2 LEU 3 1HD2 LEU 3 2.875 -13.968 -5.484 29 2HD2 LEU 3 2HD2 LEU 3 1.353 -14.313 -4.662 30 3HD2 LEU 3 3HD2 LEU 3 2.714 -15.424 -4.503 31 H PHE 4 H PHE 4 5.771 -11.135 -6.221 32 HA PHE 4 HA PHE 4 7.817 -9.844 -4.556 33 1HB PHE 4 1HB PHE 4 7.422 -9.952 -7.546 34 2HB PHE 4 2HB PHE 4 8.576 -8.868 -6.777 35 HD1 PHE 4 HD1 PHE 4 8.065 -12.091 -8.140 36 HD2 PHE 4 HD2 PHE 4 10.313 -9.972 -5.199 37 HE1 PHE 4 HE1 PHE 4 9.739 -13.900 -8.121 38 HE2 PHE 4 HE2 PHE 4 11.991 -11.778 -5.176 39 HZ PHE 4 HZ PHE 4 11.705 -13.744 -6.638 40 H VAL 5 H VAL 5 7.549 -7.828 -3.846 41 HA VAL 5 HA VAL 5 5.363 -6.227 -5.008 42 HB VAL 5 HB VAL 5 6.294 -6.315 -2.136 43 1HG1 VAL 5 1HG1 VAL 5 5.559 -4.224 -1.968 44 2HG1 VAL 5 2HG1 VAL 5 3.940 -4.835 -2.308 45 3HG1 VAL 5 3HG1 VAL 5 4.952 -4.240 -3.624 46 1HG2 VAL 5 1HG2 VAL 5 4.796 -8.165 -3.042 47 2HG2 VAL 5 2HG2 VAL 5 3.550 -6.927 -3.197 48 3HG2 VAL 5 3HG2 VAL 5 4.226 -7.305 -1.613 49 H LYS 6 H LYS 6 6.269 -4.698 -6.230 50 HA LYS 6 HA LYS 6 8.763 -3.439 -5.349 51 1HB LYS 6 1HB LYS 6 9.040 -2.671 -7.587 52 2HB LYS 6 2HB LYS 6 8.540 -4.354 -7.686 53 1HG LYS 6 1HG LYS 6 6.154 -3.361 -7.929 54 2HG LYS 6 2HG LYS 6 7.013 -1.884 -8.372 55 1HD LYS 6 1HD LYS 6 7.508 -4.549 -9.685 56 2HD LYS 6 2HD LYS 6 6.355 -3.362 -10.297 57 1HE LYS 6 1HE LYS 6 8.111 -1.744 -10.606 58 2HE LYS 6 2HE LYS 6 9.285 -2.817 -9.843 59 1HZ LYS 6 1HZ LYS 6 9.585 -3.923 -11.736 60 2HZ LYS 6 2HZ LYS 6 8.788 -2.647 -12.506 61 3HZ LYS 6 3HZ LYS 6 7.928 -4.033 -12.059 62 H THR 7 H THR 7 8.932 -1.288 -4.894 63 HA THR 7 HA THR 7 6.407 0.137 -4.511 64 HB THR 7 HB THR 7 7.438 1.357 -2.841 65 HG1 THR 7 HG1 THR 7 9.476 2.025 -2.902 66 1HG2 THR 7 1HG2 THR 7 9.061 -1.175 -2.911 67 2HG2 THR 7 2HG2 THR 7 7.519 -0.929 -2.093 68 3HG2 THR 7 3HG2 THR 7 8.956 -0.070 -1.540 69 H LEU 8 H LEU 8 7.356 2.752 -4.487 70 HA LEU 8 HA LEU 8 7.362 3.324 -7.297 71 1HB LEU 8 1HB LEU 8 6.782 4.722 -4.879 72 2HB LEU 8 2HB LEU 8 7.960 5.654 -5.784 73 HG LEU 8 HG LEU 8 5.757 6.417 -6.367 74 1HD1 LEU 8 1HD1 LEU 8 5.930 5.119 -8.858 75 2HD1 LEU 8 2HD1 LEU 8 7.580 5.288 -8.256 76 3HD1 LEU 8 3HD1 LEU 8 6.549 6.711 -8.415 77 1HD2 LEU 8 1HD2 LEU 8 5.186 3.518 -6.934 78 2HD2 LEU 8 2HD2 LEU 8 4.158 4.841 -7.485 79 3HD2 LEU 8 3HD2 LEU 8 4.395 4.569 -5.759 80 H THR 9 H THR 9 9.785 2.438 -5.245 81 HA THR 9 HA THR 9 11.807 4.123 -6.542 82 HB THR 9 HB THR 9 13.223 3.723 -4.743 83 HG1 THR 9 HG1 THR 9 13.238 1.529 -4.630 84 1HG2 THR 9 1HG2 THR 9 12.069 4.735 -3.158 85 2HG2 THR 9 2HG2 THR 9 11.124 3.277 -2.855 86 3HG2 THR 9 3HG2 THR 9 10.599 4.429 -4.083 87 H GLY 10 H GLY 10 11.455 0.714 -5.531 88 1HA GLY 10 1HA GLY 10 11.769 -0.571 -7.891 89 2HA GLY 10 2HA GLY 10 13.417 -0.130 -7.475 90 H LYS 11 H LYS 11 13.165 -0.438 -4.649 91 HA LYS 11 HA LYS 11 14.009 -2.957 -4.187 92 1HB LYS 11 1HB LYS 11 12.924 -0.834 -2.570 93 2HB LYS 11 2HB LYS 11 12.390 -2.391 -1.950 94 1HG LYS 11 1HG LYS 11 15.065 -2.803 -2.440 95 2HG LYS 11 2HG LYS 11 15.010 -1.141 -1.847 96 1HD LYS 11 1HD LYS 11 13.857 -3.569 -0.476 97 2HD LYS 11 2HD LYS 11 15.313 -2.692 -0.001 98 1HE LYS 11 1HE LYS 11 12.878 -1.058 -0.262 99 2HE LYS 11 2HE LYS 11 12.852 -2.248 1.038 100 1HZ LYS 11 1HZ LYS 11 13.867 0.168 1.333 101 2HZ LYS 11 2HZ LYS 11 15.259 -0.625 0.792 102 3HZ LYS 11 3HZ LYS 11 14.461 -1.172 2.178 103 H THR 12 H THR 12 13.211 -4.937 -4.393 104 HA THR 12 HA THR 12 10.292 -5.256 -4.563 105 HB THR 12 HB THR 12 12.209 -7.352 -5.502 106 HG1 THR 12 HG1 THR 12 12.035 -6.197 -7.594 107 1HG2 THR 12 1HG2 THR 12 10.544 -7.993 -6.977 108 2HG2 THR 12 2HG2 THR 12 9.713 -6.440 -6.870 109 3HG2 THR 12 3HG2 THR 12 9.654 -7.568 -5.515 110 H LEU 13 H LEU 13 9.379 -6.060 -2.801 111 HA LEU 13 HA LEU 13 10.954 -7.626 -0.919 112 1HB LEU 13 1HB LEU 13 8.384 -6.147 -0.837 113 2HB LEU 13 2HB LEU 13 8.528 -7.534 0.225 114 HG LEU 13 HG LEU 13 10.800 -5.654 0.312 115 1HD1 LEU 13 1HD1 LEU 13 9.738 -3.789 0.895 116 2HD1 LEU 13 2HD1 LEU 13 8.659 -4.661 1.984 117 3HD1 LEU 13 3HD1 LEU 13 8.266 -4.531 0.270 118 1HD2 LEU 13 1HD2 LEU 13 10.976 -6.377 2.460 119 2HD2 LEU 13 2HD2 LEU 13 10.104 -7.751 1.782 120 3HD2 LEU 13 3HD2 LEU 13 9.231 -6.508 2.679 121 H THR 14 H THR 14 10.733 -9.764 -0.563 122 HA THR 14 HA THR 14 8.797 -11.199 -2.250 123 HB THR 14 HB THR 14 11.428 -12.084 -1.058 124 HG1 THR 14 HG1 THR 14 10.834 -10.898 -3.317 125 1HG2 THR 14 1HG2 THR 14 10.998 -14.113 -2.582 126 2HG2 THR 14 2HG2 THR 14 9.298 -13.676 -2.415 127 3HG2 THR 14 3HG2 THR 14 10.252 -14.069 -0.985 128 H VAL 15 H VAL 15 7.138 -12.167 -1.304 129 HA VAL 15 HA VAL 15 7.386 -12.979 1.515 130 HB VAL 15 HB VAL 15 4.803 -12.454 1.517 131 1HG1 VAL 15 1HG1 VAL 15 5.270 -10.619 2.808 132 2HG1 VAL 15 2HG1 VAL 15 6.515 -10.025 1.710 133 3HG1 VAL 15 3HG1 VAL 15 6.855 -11.392 2.772 134 1HG2 VAL 15 1HG2 VAL 15 5.853 -10.496 -0.525 135 2HG2 VAL 15 2HG2 VAL 15 4.255 -10.459 0.220 136 3HG2 VAL 15 3HG2 VAL 15 4.704 -11.797 -0.837 137 H GLU 16 H GLU 16 6.113 -14.775 2.152 138 HA GLU 16 HA GLU 16 5.260 -16.460 -0.108 139 1HB GLU 16 1HB GLU 16 6.402 -17.202 2.585 140 2HB GLU 16 2HB GLU 16 5.666 -18.373 1.499 141 1HG GLU 16 1HG GLU 16 7.997 -18.505 1.172 142 2HG GLU 16 2HG GLU 16 7.335 -17.671 -0.233 143 H LEU 17 H LEU 17 3.155 -16.790 -0.282 144 HA LEU 17 HA LEU 17 1.533 -17.189 2.097 145 1HB LEU 17 1HB LEU 17 1.027 -14.998 0.091 146 2HB LEU 17 2HB LEU 17 -0.211 -15.600 1.176 147 HG LEU 17 HG LEU 17 2.396 -14.494 2.197 148 1HD1 LEU 17 1HD1 LEU 17 1.789 -12.438 1.638 149 2HD1 LEU 17 2HD1 LEU 17 0.307 -12.631 2.574 150 3HD1 LEU 17 3HD1 LEU 17 0.331 -13.057 0.863 151 1HD2 LEU 17 1HD2 LEU 17 -0.320 -14.829 3.462 152 2HD2 LEU 17 2HD2 LEU 17 1.115 -14.166 4.244 153 3HD2 LEU 17 3HD2 LEU 17 1.086 -15.856 3.743 154 H GLU 18 H GLU 18 -0.858 -17.599 1.303 155 HA GLU 18 HA GLU 18 -0.672 -19.421 -1.005 156 1HB GLU 18 1HB GLU 18 -2.403 -19.598 1.465 157 2HB GLU 18 2HB GLU 18 -2.527 -20.685 0.088 158 1HG GLU 18 1HG GLU 18 0.182 -20.506 1.077 159 2HG GLU 18 2HG GLU 18 -0.946 -21.011 2.333 160 HA PRO 19 HA PRO 19 -3.837 -17.261 -3.163 161 1HB PRO 19 1HB PRO 19 -5.431 -19.302 -4.060 162 2HB PRO 19 2HB PRO 19 -3.882 -18.869 -4.788 163 1HG PRO 19 1HG PRO 19 -4.517 -21.044 -2.832 164 2HG PRO 19 2HG PRO 19 -3.462 -21.093 -4.257 165 1HD PRO 19 1HD PRO 19 -2.470 -20.855 -1.769 166 2HD PRO 19 2HD PRO 19 -1.717 -20.039 -3.155 167 H SER 20 H SER 20 -4.666 -19.385 -0.572 168 HA SER 20 HA SER 20 -7.451 -18.663 -0.475 169 1HB SER 20 1HB SER 20 -7.060 -19.748 1.938 170 2HB SER 20 2HB SER 20 -7.218 -20.733 0.484 171 HG SER 20 HG SER 20 -5.337 -21.470 1.069 172 H ASP 21 H ASP 21 -4.537 -17.257 0.549 173 HA ASP 21 HA ASP 21 -5.425 -15.911 2.879 174 1HB ASP 21 1HB ASP 21 -3.192 -15.235 0.954 175 2HB ASP 21 2HB ASP 21 -3.436 -14.463 2.519 176 H THR 22 H THR 22 -5.650 -13.536 3.063 177 HA THR 22 HA THR 22 -7.072 -12.436 0.729 178 HB THR 22 HB THR 22 -8.599 -11.338 2.174 179 HG1 THR 22 HG1 THR 22 -7.178 -12.238 4.439 180 1HG2 THR 22 1HG2 THR 22 -8.297 -14.140 2.372 181 2HG2 THR 22 2HG2 THR 22 -9.758 -13.171 2.570 182 3HG2 THR 22 3HG2 THR 22 -8.740 -13.528 3.966 183 H VAL 23 H VAL 23 -7.070 -10.067 0.567 184 HA VAL 23 HA VAL 23 -4.564 -8.967 0.424 185 HB VAL 23 HB VAL 23 -7.174 -7.519 0.884 186 1HG1 VAL 23 1HG1 VAL 23 -5.956 -5.588 -0.182 187 2HG1 VAL 23 2HG1 VAL 23 -4.461 -6.487 0.089 188 3HG1 VAL 23 3HG1 VAL 23 -5.454 -5.992 1.461 189 1HG2 VAL 23 1HG2 VAL 23 -7.635 -7.958 -1.244 190 2HG2 VAL 23 2HG2 VAL 23 -6.194 -8.973 -1.323 191 3HG2 VAL 23 3HG2 VAL 23 -6.094 -7.264 -1.752 192 H GLU 24 H GLU 24 -6.794 -8.938 3.154 193 HA GLU 24 HA GLU 24 -5.564 -7.097 4.810 194 1HB GLU 24 1HB GLU 24 -7.471 -9.240 5.100 195 2HB GLU 24 2HB GLU 24 -6.379 -9.219 6.477 196 1HG GLU 24 1HG GLU 24 -6.907 -6.870 6.868 197 2HG GLU 24 2HG GLU 24 -7.998 -6.885 5.483 198 H ASN 25 H ASN 25 -4.864 -10.556 4.441 199 HA ASN 25 HA ASN 25 -2.812 -10.682 6.367 200 1HB ASN 25 1HB ASN 25 -3.097 -12.382 3.880 201 2HB ASN 25 2HB ASN 25 -2.206 -12.797 5.341 202 1HD2 ASN 25 1HD2 ASN 25 -3.801 -12.289 7.359 203 2HD2 ASN 25 2HD2 ASN 25 -5.284 -13.169 7.253 204 H LEU 26 H LEU 26 -2.653 -10.358 2.821 205 HA LEU 26 HA LEU 26 0.081 -10.172 2.508 206 1HB LEU 26 1HB LEU 26 -1.364 -10.267 0.596 207 2HB LEU 26 2HB LEU 26 -2.134 -8.754 1.034 208 HG LEU 26 HG LEU 26 0.098 -7.630 0.652 209 1HD1 LEU 26 1HD1 LEU 26 1.156 -10.087 0.678 210 2HD1 LEU 26 2HD1 LEU 26 1.894 -8.730 -0.173 211 3HD1 LEU 26 3HD1 LEU 26 0.913 -9.897 -1.058 212 1HD2 LEU 26 1HD2 LEU 26 -0.241 -7.440 -1.695 213 2HD2 LEU 26 2HD2 LEU 26 -1.827 -7.661 -0.957 214 3HD2 LEU 26 3HD2 LEU 26 -1.037 -9.012 -1.771 215 H LYS 27 H LYS 27 -2.216 -7.550 3.193 216 HA LYS 27 HA LYS 27 -0.389 -5.441 3.257 217 1HB LYS 27 1HB LYS 27 -2.881 -5.734 4.946 218 2HB LYS 27 2HB LYS 27 -2.063 -4.231 4.544 219 1HG LYS 27 1HG LYS 27 -2.708 -5.642 2.140 220 2HG LYS 27 2HG LYS 27 -4.146 -5.489 3.151 221 1HD LYS 27 1HD LYS 27 -3.701 -3.063 3.348 222 2HD LYS 27 2HD LYS 27 -2.336 -3.251 2.246 223 1HE LYS 27 1HE LYS 27 -3.820 -4.006 0.487 224 2HE LYS 27 2HE LYS 27 -5.196 -3.941 1.586 225 1HZ LYS 27 1HZ LYS 27 -3.630 -1.498 1.208 226 2HZ LYS 27 2HZ LYS 27 -5.288 -1.685 1.491 227 3HZ LYS 27 3HZ LYS 27 -4.655 -1.980 -0.051 228 H ALA 28 H ALA 28 -1.539 -7.552 5.874 229 HA ALA 28 HA ALA 28 -0.272 -6.448 8.038 230 1HB ALA 28 1HB ALA 28 -0.642 -8.426 9.136 231 2HB ALA 28 2HB ALA 28 -0.168 -9.411 7.752 232 3HB ALA 28 3HB ALA 28 -1.743 -8.616 7.771 233 H LYS 29 H LYS 29 1.093 -8.607 5.591 234 HA LYS 29 HA LYS 29 3.634 -8.923 6.759 235 1HB LYS 29 1HB LYS 29 2.968 -8.932 3.809 236 2HB LYS 29 2HB LYS 29 4.365 -9.678 4.572 237 1HG LYS 29 1HG LYS 29 1.509 -10.482 5.079 238 2HG LYS 29 2HG LYS 29 2.601 -11.288 3.951 239 1HD LYS 29 1HD LYS 29 3.809 -10.974 6.562 240 2HD LYS 29 2HD LYS 29 2.281 -11.854 6.654 241 1HE LYS 29 1HE LYS 29 3.100 -13.647 5.570 242 2HE LYS 29 2HE LYS 29 4.042 -12.664 4.450 243 1HZ LYS 29 1HZ LYS 29 5.010 -12.628 7.168 244 2HZ LYS 29 2HZ LYS 29 5.859 -12.826 5.718 245 3HZ LYS 29 3HZ LYS 29 5.085 -14.150 6.429 246 H ILE 30 H ILE 30 2.450 -6.624 4.316 247 HA ILE 30 HA ILE 30 4.849 -5.252 3.893 248 HB ILE 30 HB ILE 30 2.077 -4.055 3.811 249 1HG1 ILE 30 1HG1 ILE 30 3.621 -5.695 1.806 250 2HG1 ILE 30 2HG1 ILE 30 1.989 -5.964 2.410 251 1HG2 ILE 30 1HG2 ILE 30 3.960 -3.109 1.842 252 2HG2 ILE 30 2HG2 ILE 30 4.573 -2.870 3.477 253 3HG2 ILE 30 3HG2 ILE 30 3.008 -2.201 3.016 254 1HD1 ILE 30 1HD1 ILE 30 2.016 -3.420 1.196 255 2HD1 ILE 30 2HD1 ILE 30 1.188 -4.884 0.662 256 3HD1 ILE 30 3HD1 ILE 30 2.826 -4.541 0.102 257 H GLN 31 H GLN 31 2.664 -5.198 6.559 258 HA GLN 31 HA GLN 31 3.729 -2.702 7.617 259 1HB GLN 31 1HB GLN 31 1.293 -3.316 7.794 260 2HB GLN 31 2HB GLN 31 1.760 -4.592 8.912 261 1HG GLN 31 1HG GLN 31 2.629 -2.967 10.468 262 2HG GLN 31 2HG GLN 31 2.302 -1.661 9.330 263 1HE2 GLN 31 1HE2 GLN 31 -0.192 -2.359 8.426 264 2HE2 GLN 31 2HE2 GLN 31 -1.328 -2.248 9.723 265 H ASP 32 H ASP 32 4.195 -6.099 7.897 266 HA ASP 32 HA ASP 32 5.582 -5.912 10.440 267 1HB ASP 32 1HB ASP 32 4.222 -7.950 9.085 268 2HB ASP 32 2HB ASP 32 5.912 -8.440 9.120 269 H LYS 33 H LYS 33 6.357 -5.306 7.282 270 HA LYS 33 HA LYS 33 9.194 -5.954 7.753 271 1HB LYS 33 1HB LYS 33 7.575 -6.053 5.217 272 2HB LYS 33 2HB LYS 33 9.328 -5.932 5.185 273 1HG LYS 33 1HG LYS 33 7.864 -8.115 6.643 274 2HG LYS 33 2HG LYS 33 8.380 -8.248 4.960 275 1HD LYS 33 1HD LYS 33 10.713 -7.683 5.775 276 2HD LYS 33 2HD LYS 33 10.098 -7.930 7.411 277 1HE LYS 33 1HE LYS 33 9.317 -10.211 6.610 278 2HE LYS 33 2HE LYS 33 10.306 -9.930 5.177 279 1HZ LYS 33 1HZ LYS 33 12.166 -10.362 6.300 280 2HZ LYS 33 2HZ LYS 33 11.173 -11.037 7.491 281 3HZ LYS 33 3HZ LYS 33 11.702 -9.437 7.639 282 H GLU 34 H GLU 34 7.209 -3.846 5.665 283 HA GLU 34 HA GLU 34 9.236 -1.766 5.849 284 1HB GLU 34 1HB GLU 34 6.924 -2.339 4.086 285 2HB GLU 34 2HB GLU 34 7.304 -0.642 4.346 286 1HG GLU 34 1HG GLU 34 9.681 -1.220 3.690 287 2HG GLU 34 2HG GLU 34 9.044 -2.772 3.146 288 H GLY 35 H GLY 35 6.353 -2.664 7.389 289 1HA GLY 35 1HA GLY 35 5.193 -1.676 9.111 290 2HA GLY 35 2HA GLY 35 6.437 -0.437 9.155 291 H ILE 36 H ILE 36 4.375 -1.264 6.410 292 HA ILE 36 HA ILE 36 3.383 1.498 6.432 293 HB ILE 36 HB ILE 36 3.326 -0.543 4.208 294 1HG1 ILE 36 1HG1 ILE 36 4.977 1.979 4.383 295 2HG1 ILE 36 2HG1 ILE 36 5.584 0.406 4.894 296 1HG2 ILE 36 1HG2 ILE 36 2.377 1.063 2.817 297 2HG2 ILE 36 2HG2 ILE 36 2.779 2.387 3.912 298 3HG2 ILE 36 3HG2 ILE 36 1.493 1.255 4.331 299 1HD1 ILE 36 1HD1 ILE 36 4.549 0.022 2.327 300 2HD1 ILE 36 2HD1 ILE 36 6.244 0.061 2.817 301 3HD1 ILE 36 3HD1 ILE 36 5.449 1.538 2.271 302 HA PRO 37 HA PRO 37 -0.576 0.087 7.871 303 1HB PRO 37 1HB PRO 37 -1.593 2.538 6.574 304 2HB PRO 37 2HB PRO 37 -1.697 2.036 8.262 305 1HG PRO 37 1HG PRO 37 -0.057 4.011 7.488 306 2HG PRO 37 2HG PRO 37 0.389 2.884 8.783 307 1HD PRO 37 1HD PRO 37 1.292 2.955 5.933 308 2HD PRO 37 2HD PRO 37 2.215 2.577 7.403 309 HA PRO 38 HA PRO 38 -2.413 -1.924 4.401 310 1HB PRO 38 1HB PRO 38 -4.993 -1.597 5.817 311 2HB PRO 38 2HB PRO 38 -4.180 -3.071 5.283 312 1HG PRO 38 1HG PRO 38 -4.270 -2.399 7.869 313 2HG PRO 38 2HG PRO 38 -2.837 -3.171 7.164 314 1HD PRO 38 1HD PRO 38 -3.292 -0.299 7.870 315 2HD PRO 38 2HD PRO 38 -1.828 -1.289 8.053 316 H ASP 39 H ASP 39 -4.055 0.931 5.709 317 HA ASP 39 HA ASP 39 -5.596 1.406 3.350 318 1HB ASP 39 1HB ASP 39 -5.990 2.203 5.818 319 2HB ASP 39 2HB ASP 39 -4.980 3.563 5.335 320 H GLN 40 H GLN 40 -2.370 1.603 3.781 321 HA GLN 40 HA GLN 40 -2.101 3.905 1.962 322 1HB GLN 40 1HB GLN 40 -0.190 2.831 4.036 323 2HB GLN 40 2HB GLN 40 0.266 4.022 2.827 324 1HG GLN 40 1HG GLN 40 -2.113 4.896 4.126 325 2HG GLN 40 2HG GLN 40 -0.922 4.446 5.346 326 1HE2 GLN 40 1HE2 GLN 40 -1.533 6.482 2.561 327 2HE2 GLN 40 2HE2 GLN 40 -0.326 7.664 2.921 328 H GLN 41 H GLN 41 -2.262 0.708 1.822 329 HA GLN 41 HA GLN 41 -0.004 0.402 -0.037 330 1HB GLN 41 1HB GLN 41 -1.668 -1.878 0.980 331 2HB GLN 41 2HB GLN 41 -0.019 -1.903 0.367 332 1HG GLN 41 1HG GLN 41 0.748 -0.738 2.364 333 2HG GLN 41 2HG GLN 41 -0.905 -0.695 2.974 334 1HE2 GLN 41 1HE2 GLN 41 -0.108 -1.812 4.829 335 2HE2 GLN 41 2HE2 GLN 41 0.137 -3.522 4.778 336 H ARG 42 H ARG 42 -0.894 1.302 -1.879 337 HA ARG 42 HA ARG 42 -3.400 0.180 -2.888 338 1HB ARG 42 1HB ARG 42 -3.167 2.614 -2.958 339 2HB ARG 42 2HB ARG 42 -1.699 2.461 -3.914 340 1HG ARG 42 1HG ARG 42 -2.869 1.727 -5.803 341 2HG ARG 42 2HG ARG 42 -4.321 1.364 -4.868 342 1HD ARG 42 1HD ARG 42 -3.561 4.133 -4.582 343 2HD ARG 42 2HD ARG 42 -3.768 3.703 -6.279 344 HE ARG 42 HE ARG 42 -5.926 2.736 -4.709 345 1HH1 ARG 42 1HH1 ARG 42 -6.165 6.413 -6.275 346 2HH1 ARG 42 2HH1 ARG 42 -4.624 5.634 -6.137 347 1HH2 ARG 42 1HH2 ARG 42 -7.960 3.752 -4.887 348 2HH2 ARG 42 2HH2 ARG 42 -8.062 5.343 -5.563 349 H LEU 43 H LEU 43 -2.779 -1.866 -3.539 350 HA LEU 43 HA LEU 43 -0.542 -2.165 -5.369 351 1HB LEU 43 1HB LEU 43 -2.415 -4.375 -4.619 352 2HB LEU 43 2HB LEU 43 -0.713 -4.463 -5.030 353 HG LEU 43 HG LEU 43 -1.915 -3.480 -2.445 354 1HD1 LEU 43 1HD1 LEU 43 0.140 -5.443 -2.189 355 2HD1 LEU 43 2HD1 LEU 43 -1.069 -6.016 -3.337 356 3HD1 LEU 43 3HD1 LEU 43 -1.555 -5.538 -1.711 357 1HD2 LEU 43 1HD2 LEU 43 0.464 -3.188 -1.734 358 2HD2 LEU 43 2HD2 LEU 43 -0.092 -2.016 -2.929 359 3HD2 LEU 43 3HD2 LEU 43 0.932 -3.364 -3.425 360 H ILE 44 H ILE 44 -0.754 -2.023 -7.488 361 HA ILE 44 HA ILE 44 -3.417 -2.448 -8.676 362 HB ILE 44 HB ILE 44 -1.126 -0.862 -9.840 363 1HG1 ILE 44 1HG1 ILE 44 -1.862 0.374 -7.954 364 2HG1 ILE 44 2HG1 ILE 44 -2.683 1.096 -9.334 365 1HG2 ILE 44 1HG2 ILE 44 -3.663 -1.809 -10.876 366 2HG2 ILE 44 2HG2 ILE 44 -2.284 -1.112 -11.726 367 3HG2 ILE 44 3HG2 ILE 44 -3.499 -0.058 -11.005 368 1HD1 ILE 44 1HD1 ILE 44 -4.477 0.936 -8.004 369 2HD1 ILE 44 2HD1 ILE 44 -3.774 -0.358 -7.032 370 3HD1 ILE 44 3HD1 ILE 44 -4.514 -0.728 -8.589 371 H PHE 45 H PHE 45 -2.742 -4.779 -8.539 372 HA PHE 45 HA PHE 45 -0.653 -5.923 -9.933 373 1HB PHE 45 1HB PHE 45 -2.213 -7.146 -8.435 374 2HB PHE 45 2HB PHE 45 -3.450 -7.049 -9.685 375 HD1 PHE 45 HD1 PHE 45 0.149 -8.051 -9.486 376 HD2 PHE 45 HD2 PHE 45 -3.778 -8.978 -10.867 377 HE1 PHE 45 HE1 PHE 45 0.998 -10.140 -10.483 378 HE2 PHE 45 HE2 PHE 45 -2.936 -11.069 -11.865 379 HZ PHE 45 HZ PHE 45 -0.547 -11.651 -11.673 380 H ALA 46 H ALA 46 -0.198 -4.986 -11.895 381 HA ALA 46 HA ALA 46 -0.378 -4.485 -14.114 382 1HB ALA 46 1HB ALA 46 -1.178 -7.190 -13.708 383 2HB ALA 46 2HB ALA 46 -0.372 -6.472 -15.102 384 3HB ALA 46 3HB ALA 46 -2.133 -6.506 -15.023 385 H GLY 47 H GLY 47 -2.451 -3.404 -12.264 386 1HA GLY 47 1HA GLY 47 -3.942 -1.661 -13.115 387 2HA GLY 47 2HA GLY 47 -4.491 -2.819 -14.317 388 H LYS 48 H LYS 48 -4.121 -4.571 -11.594 389 HA LYS 48 HA LYS 48 -6.977 -4.469 -11.023 390 1HB LYS 48 1HB LYS 48 -4.963 -6.503 -11.012 391 2HB LYS 48 2HB LYS 48 -5.672 -6.404 -9.406 392 1HG LYS 48 1HG LYS 48 -7.681 -7.178 -10.092 393 2HG LYS 48 2HG LYS 48 -7.559 -6.409 -11.676 394 1HD LYS 48 1HD LYS 48 -5.554 -8.267 -11.782 395 2HD LYS 48 2HD LYS 48 -6.780 -9.099 -10.822 396 1HE LYS 48 1HE LYS 48 -7.637 -7.687 -13.296 397 2HE LYS 48 2HE LYS 48 -6.769 -9.213 -13.464 398 1HZ LYS 48 1HZ LYS 48 -9.411 -9.025 -13.138 399 2HZ LYS 48 2HZ LYS 48 -8.927 -9.219 -11.529 400 3HZ LYS 48 3HZ LYS 48 -8.503 -10.380 -12.684 401 H GLN 49 H GLN 49 -7.744 -3.301 -9.401 402 HA GLN 49 HA GLN 49 -5.946 -2.269 -7.368 403 1HB GLN 49 1HB GLN 49 -8.024 -1.127 -8.653 404 2HB GLN 49 2HB GLN 49 -8.849 -1.702 -7.209 405 1HG GLN 49 1HG GLN 49 -7.705 -0.292 -5.821 406 2HG GLN 49 2HG GLN 49 -6.306 -0.197 -6.890 407 1HE2 GLN 49 1HE2 GLN 49 -8.298 1.761 -5.576 408 2HE2 GLN 49 2HE2 GLN 49 -8.678 2.850 -6.862 409 H LEU 50 H LEU 50 -5.457 -3.897 -5.961 410 HA LEU 50 HA LEU 50 -7.154 -5.887 -5.022 411 1HB LEU 50 1HB LEU 50 -4.867 -4.575 -3.551 412 2HB LEU 50 2HB LEU 50 -5.583 -6.126 -3.152 413 HG LEU 50 HG LEU 50 -3.869 -5.413 -5.512 414 1HD1 LEU 50 1HD1 LEU 50 -3.049 -6.286 -3.202 415 2HD1 LEU 50 2HD1 LEU 50 -2.389 -6.973 -4.687 416 3HD1 LEU 50 3HD1 LEU 50 -3.637 -7.841 -3.792 417 1HD2 LEU 50 1HD2 LEU 50 -5.992 -7.456 -5.327 418 2HD2 LEU 50 2HD2 LEU 50 -4.445 -7.989 -5.984 419 3HD2 LEU 50 3HD2 LEU 50 -5.309 -6.651 -6.739 420 H GLU 51 H GLU 51 -8.974 -5.747 -3.899 421 HA GLU 51 HA GLU 51 -9.351 -3.443 -2.108 422 1HB GLU 51 1HB GLU 51 -11.536 -5.208 -3.200 423 2HB GLU 51 2HB GLU 51 -11.696 -3.623 -2.458 424 1HG GLU 51 1HG GLU 51 -10.273 -2.799 -4.442 425 2HG GLU 51 2HG GLU 51 -10.714 -4.333 -5.190 426 H ASP 52 H ASP 52 -8.920 -3.959 -0.073 427 HA ASP 52 HA ASP 52 -8.541 -6.290 1.166 428 1HB ASP 52 1HB ASP 52 -10.219 -4.764 2.943 429 2HB ASP 52 2HB ASP 52 -8.487 -5.051 3.029 430 H GLY 53 H GLY 53 -9.629 -8.066 1.763 431 1HA GLY 53 1HA GLY 53 -11.725 -9.001 2.662 432 2HA GLY 53 2HA GLY 53 -12.571 -8.008 1.485 433 H ARG 54 H ARG 54 -10.653 -8.563 -0.649 434 HA ARG 54 HA ARG 54 -11.732 -11.150 -1.439 435 1HB ARG 54 1HB ARG 54 -9.979 -9.385 -3.133 436 2HB ARG 54 2HB ARG 54 -11.160 -10.578 -3.655 437 1HG ARG 54 1HG ARG 54 -11.623 -7.827 -2.569 438 2HG ARG 54 2HG ARG 54 -12.180 -8.534 -4.089 439 1HD ARG 54 1HD ARG 54 -13.184 -10.105 -1.939 440 2HD ARG 54 2HD ARG 54 -13.531 -8.410 -1.600 441 HE ARG 54 HE ARG 54 -14.994 -8.378 -3.377 442 1HH1 ARG 54 1HH1 ARG 54 -14.090 -12.059 -4.666 443 2HH1 ARG 54 2HH1 ARG 54 -13.118 -11.311 -3.443 444 1HH2 ARG 54 1HH2 ARG 54 -16.281 -9.353 -4.988 445 2HH2 ARG 54 2HH2 ARG 54 -15.888 -10.946 -5.545 446 H THR 55 H THR 55 -10.469 -12.895 -2.131 447 HA THR 55 HA THR 55 -7.854 -13.020 -0.854 448 HB THR 55 HB THR 55 -8.013 -15.410 -1.103 449 HG1 THR 55 HG1 THR 55 -9.259 -16.331 -2.528 450 1HG2 THR 55 1HG2 THR 55 -9.414 -14.357 0.683 451 2HG2 THR 55 2HG2 THR 55 -9.949 -15.948 0.144 452 3HG2 THR 55 3HG2 THR 55 -10.790 -14.500 -0.410 453 H LEU 56 H LEU 56 -5.999 -13.864 -1.931 454 HA LEU 56 HA LEU 56 -5.375 -12.663 -4.336 455 1HB LEU 56 1HB LEU 56 -4.168 -15.209 -3.252 456 2HB LEU 56 2HB LEU 56 -3.428 -14.129 -4.417 457 HG LEU 56 HG LEU 56 -3.892 -13.664 -1.484 458 1HD1 LEU 56 1HD1 LEU 56 -1.404 -12.910 -1.891 459 2HD1 LEU 56 2HD1 LEU 56 -1.554 -13.965 -3.296 460 3HD1 LEU 56 3HD1 LEU 56 -1.822 -14.610 -1.677 461 1HD2 LEU 56 1HD2 LEU 56 -3.811 -11.702 -3.666 462 2HD2 LEU 56 2HD2 LEU 56 -2.696 -11.383 -2.337 463 3HD2 LEU 56 3HD2 LEU 56 -4.422 -11.547 -2.019 464 H SER 57 H SER 57 -6.655 -15.899 -3.747 465 HA SER 57 HA SER 57 -6.448 -16.778 -6.444 466 1HB SER 57 1HB SER 57 -6.905 -18.056 -4.107 467 2HB SER 57 2HB SER 57 -8.553 -17.969 -4.730 468 HG SER 57 HG SER 57 -6.889 -19.772 -5.357 469 H ASP 58 H ASP 58 -8.596 -14.688 -4.827 470 HA ASP 58 HA ASP 58 -10.846 -15.129 -6.579 471 1HB ASP 58 1HB ASP 58 -10.291 -12.980 -4.524 472 2HB ASP 58 2HB ASP 58 -11.802 -13.135 -5.417 473 H TYR 59 H TYR 59 -7.924 -13.506 -6.833 474 HA TYR 59 HA TYR 59 -8.997 -11.587 -8.786 475 1HB TYR 59 1HB TYR 59 -6.500 -11.619 -7.114 476 2HB TYR 59 2HB TYR 59 -6.586 -10.636 -8.572 477 HD1 TYR 59 HD1 TYR 59 -7.012 -10.571 -5.125 478 HD2 TYR 59 HD2 TYR 59 -8.860 -9.184 -8.708 479 HE1 TYR 59 HE1 TYR 59 -8.135 -8.787 -3.849 480 HE2 TYR 59 HE2 TYR 59 -9.987 -7.396 -7.441 481 HH TYR 59 HH TYR 59 -10.539 -7.342 -4.428 482 H ASN 60 H ASN 60 -5.707 -12.818 -8.600 483 HA ASN 60 HA ASN 60 -5.747 -14.795 -10.510 484 1HB ASN 60 1HB ASN 60 -4.994 -13.606 -12.555 485 2HB ASN 60 2HB ASN 60 -6.641 -13.187 -12.094 486 1HD2 ASN 60 1HD2 ASN 60 -5.693 -11.469 -13.723 487 2HD2 ASN 60 2HD2 ASN 60 -5.120 -10.028 -12.962 488 H LEU 61 H LEU 61 -4.330 -14.029 -8.171 489 HA LEU 61 HA LEU 61 -1.667 -13.237 -8.921 490 1HB LEU 61 1HB LEU 61 -2.937 -14.162 -6.361 491 2HB LEU 61 2HB LEU 61 -1.202 -13.953 -6.489 492 HG LEU 61 HG LEU 61 -2.809 -12.028 -5.599 493 1HD1 LEU 61 1HD1 LEU 61 -0.857 -10.706 -7.206 494 2HD1 LEU 61 2HD1 LEU 61 -0.173 -12.205 -6.578 495 3HD1 LEU 61 3HD1 LEU 61 -0.846 -11.011 -5.468 496 1HD2 LEU 61 1HD2 LEU 61 -2.618 -11.397 -8.536 497 2HD2 LEU 61 2HD2 LEU 61 -3.400 -10.441 -7.277 498 3HD2 LEU 61 3HD2 LEU 61 -4.077 -12.000 -7.750 499 H GLN 62 H GLN 62 -0.314 -14.564 -9.919 500 HA GLN 62 HA GLN 62 -0.588 -17.453 -9.556 501 1HB GLN 62 1HB GLN 62 1.354 -16.192 -11.456 502 2HB GLN 62 2HB GLN 62 0.512 -17.731 -11.585 503 1HG GLN 62 1HG GLN 62 -1.544 -16.634 -12.122 504 2HG GLN 62 2HG GLN 62 -0.836 -15.051 -11.803 505 1HE2 GLN 62 1HE2 GLN 62 -0.268 -17.929 -13.799 506 2HE2 GLN 62 2HE2 GLN 62 0.202 -17.063 -15.218 507 H LYS 63 H LYS 63 1.667 -18.615 -9.738 508 HA LYS 63 HA LYS 63 3.053 -18.073 -7.343 509 1HB LYS 63 1HB LYS 63 2.967 -20.321 -8.210 510 2HB LYS 63 2HB LYS 63 3.764 -19.827 -9.697 511 1HG LYS 63 1HG LYS 63 5.443 -19.094 -7.538 512 2HG LYS 63 2HG LYS 63 4.923 -20.762 -7.285 513 1HD LYS 63 1HD LYS 63 5.506 -20.714 -9.966 514 2HD LYS 63 2HD LYS 63 6.732 -19.643 -9.286 515 1HE LYS 63 1HE LYS 63 7.318 -21.411 -7.660 516 2HE LYS 63 2HE LYS 63 6.150 -22.479 -8.436 517 1HZ LYS 63 1HZ LYS 63 8.465 -21.255 -9.834 518 2HZ LYS 63 2HZ LYS 63 7.417 -22.437 -10.441 519 3HZ LYS 63 3HZ LYS 63 8.473 -22.815 -9.176 520 H GLU 64 H GLU 64 4.430 -16.476 -6.972 521 HA GLU 64 HA GLU 64 6.109 -14.962 -7.219 522 1HB GLU 64 1HB GLU 64 6.838 -16.752 -9.541 523 2HB GLU 64 2HB GLU 64 7.833 -15.415 -8.981 524 1HG GLU 64 1HG GLU 64 7.808 -16.572 -6.710 525 2HG GLU 64 2HG GLU 64 7.181 -17.976 -7.570 526 H SER 65 H SER 65 4.448 -13.403 -7.701 527 HA SER 65 HA SER 65 4.489 -12.536 -10.518 528 1HB SER 65 1HB SER 65 2.247 -12.697 -8.552 529 2HB SER 65 2HB SER 65 2.231 -11.390 -9.735 530 HG SER 65 HG SER 65 1.643 -13.997 -10.072 531 H THR 66 H THR 66 4.105 -10.179 -10.802 532 HA THR 66 HA THR 66 5.572 -8.691 -8.738 533 HB THR 66 HB THR 66 5.157 -8.183 -11.685 534 HG1 THR 66 HG1 THR 66 6.843 -9.662 -10.788 535 1HG2 THR 66 1HG2 THR 66 7.083 -6.413 -10.635 536 2HG2 THR 66 2HG2 THR 66 5.614 -6.228 -9.676 537 3HG2 THR 66 3HG2 THR 66 5.555 -6.029 -11.427 538 H ILE 67 H ILE 67 4.694 -6.970 -7.719 539 HA ILE 67 HA ILE 67 2.038 -6.059 -8.602 540 HB ILE 67 HB ILE 67 2.898 -6.670 -5.775 541 1HG1 ILE 67 1HG1 ILE 67 0.367 -7.701 -6.906 542 2HG1 ILE 67 2HG1 ILE 67 1.839 -8.359 -7.614 543 1HG2 ILE 67 1HG2 ILE 67 0.530 -5.932 -5.230 544 2HG2 ILE 67 2HG2 ILE 67 0.518 -5.162 -6.817 545 3HG2 ILE 67 3HG2 ILE 67 1.692 -4.658 -5.601 546 1HD1 ILE 67 1HD1 ILE 67 2.517 -9.323 -5.619 547 2HD1 ILE 67 2HD1 ILE 67 0.772 -9.581 -5.632 548 3HD1 ILE 67 3HD1 ILE 67 1.465 -8.291 -4.650 549 H HIS 68 H HIS 68 1.608 -3.896 -8.399 550 HA HIS 68 HA HIS 68 3.921 -2.196 -7.855 551 1HB HIS 68 1HB HIS 68 1.254 -1.578 -9.143 552 2HB HIS 68 2HB HIS 68 2.556 -0.412 -8.926 553 HD1 HIS 68 HD1 HIS 68 2.791 -0.086 -11.479 554 HD2 HIS 68 HD2 HIS 68 3.474 -3.976 -10.188 555 HE1 HIS 68 HE1 HIS 68 3.848 -1.267 -13.432 556 HE2 HIS 68 HE2 HIS 68 4.327 -3.597 -12.599 557 H LEU 69 H LEU 69 4.075 -1.868 -5.703 558 HA LEU 69 HA LEU 69 1.738 -1.364 -4.084 559 1HB LEU 69 1HB LEU 69 3.624 -2.657 -3.199 560 2HB LEU 69 2HB LEU 69 4.674 -1.266 -3.392 561 HG LEU 69 HG LEU 69 2.246 -1.222 -1.609 562 1HD1 LEU 69 1HD1 LEU 69 4.588 -2.745 -1.226 563 2HD1 LEU 69 2HD1 LEU 69 3.291 -2.429 -0.072 564 3HD1 LEU 69 3HD1 LEU 69 4.690 -1.356 -0.144 565 1HD2 LEU 69 1HD2 LEU 69 4.540 0.588 -2.165 566 2HD2 LEU 69 2HD2 LEU 69 3.872 0.544 -0.533 567 3HD2 LEU 69 3HD2 LEU 69 2.838 0.966 -1.898 568 H VAL 70 H VAL 70 0.812 0.546 -4.622 569 HA VAL 70 HA VAL 70 2.485 2.945 -4.719 570 HB VAL 70 HB VAL 70 -0.461 3.037 -5.191 571 1HG1 VAL 70 1HG1 VAL 70 1.967 4.537 -6.073 572 2HG1 VAL 70 2HG1 VAL 70 0.470 5.142 -5.364 573 3HG1 VAL 70 3HG1 VAL 70 0.495 4.601 -7.042 574 1HG2 VAL 70 1HG2 VAL 70 1.499 2.111 -7.287 575 2HG2 VAL 70 2HG2 VAL 70 -0.241 2.323 -7.472 576 3HG2 VAL 70 3HG2 VAL 70 0.386 1.049 -6.427 577 H LEU 71 H LEU 71 1.802 4.862 -3.568 578 HA LEU 71 HA LEU 71 0.595 4.190 -0.972 579 1HB LEU 71 1HB LEU 71 2.529 6.365 -1.759 580 2HB LEU 71 2HB LEU 71 1.760 6.276 -0.185 581 HG LEU 71 HG LEU 71 3.848 5.321 0.185 582 1HD1 LEU 71 1HD1 LEU 71 2.194 2.914 -0.542 583 2HD1 LEU 71 2HD1 LEU 71 1.929 3.881 0.907 584 3HD1 LEU 71 3HD1 LEU 71 3.456 3.029 0.685 585 1HD2 LEU 71 1HD2 LEU 71 5.085 4.022 -1.296 586 2HD2 LEU 71 2HD2 LEU 71 4.284 5.193 -2.344 587 3HD2 LEU 71 3HD2 LEU 71 3.660 3.548 -2.222 588 H ARG 72 H ARG 72 -1.525 4.440 -2.042 589 HA ARG 72 HA ARG 72 -3.328 5.662 -2.817 590 1HB ARG 72 1HB ARG 72 -2.857 5.975 -0.154 591 2HB ARG 72 2HB ARG 72 -2.919 7.651 -0.681 592 1HG ARG 72 1HG ARG 72 -5.119 7.041 -1.812 593 2HG ARG 72 2HG ARG 72 -5.060 5.560 -0.854 594 1HD ARG 72 1HD ARG 72 -4.696 7.146 1.151 595 2HD ARG 72 2HD ARG 72 -5.303 8.400 0.071 596 HE ARG 72 HE ARG 72 -6.835 6.407 1.398 597 1HH1 ARG 72 1HH1 ARG 72 -8.339 8.188 -1.856 598 2HH1 ARG 72 2HH1 ARG 72 -6.638 8.265 -1.540 599 1HH2 ARG 72 1HH2 ARG 72 -9.077 6.301 0.994 600 2HH2 ARG 72 2HH2 ARG 72 -9.727 7.073 -0.414 601 H LEU 73 H LEU 73 -2.531 6.504 -4.780 602 HA LEU 73 HA LEU 73 -0.992 8.844 -5.008 603 1HB LEU 73 1HB LEU 73 -2.951 7.627 -6.956 604 2HB LEU 73 2HB LEU 73 -1.813 8.901 -7.351 605 HG LEU 73 HG LEU 73 -1.113 6.087 -6.504 606 1HD1 LEU 73 1HD1 LEU 73 -2.011 6.382 -8.814 607 2HD1 LEU 73 2HD1 LEU 73 -0.357 5.773 -8.745 608 3HD1 LEU 73 3HD1 LEU 73 -0.658 7.465 -9.143 609 1HD2 LEU 73 1HD2 LEU 73 0.485 8.564 -6.750 610 2HD2 LEU 73 2HD2 LEU 73 1.188 7.088 -7.412 611 3HD2 LEU 73 3HD2 LEU 73 0.719 7.156 -5.713 612 H ARG 74 H ARG 74 -1.984 10.758 -6.390 613 HA ARG 74 HA ARG 74 -3.977 11.959 -4.671 614 1HB ARG 74 1HB ARG 74 -3.570 13.945 -6.274 615 2HB ARG 74 2HB ARG 74 -2.273 13.463 -5.190 616 1HG ARG 74 1HG ARG 74 -0.916 12.905 -6.871 617 2HG ARG 74 2HG ARG 74 -2.205 12.109 -7.776 618 1HD ARG 74 1HD ARG 74 -2.096 15.095 -7.576 619 2HD ARG 74 2HD ARG 74 -1.097 14.240 -8.751 620 HE ARG 74 HE ARG 74 -3.553 13.227 -9.210 621 1HH1 ARG 74 1HH1 ARG 74 -3.515 17.144 -10.036 622 2HH1 ARG 74 2HH1 ARG 74 -2.345 16.481 -8.945 623 1HH2 ARG 74 1HH2 ARG 74 -5.100 14.088 -10.651 624 2HH2 ARG 74 2HH2 ARG 74 -5.082 15.783 -11.006 625 H GLY 75 H GLY 75 -3.728 10.809 -7.987 626 1HA GLY 75 1HA GLY 75 -6.650 10.985 -8.184 627 2HA GLY 75 2HA GLY 75 -5.684 11.739 -9.443 628 H GLY 76 H GLY 76 -7.064 10.176 -10.715 629 1HA GLY 76 1HA GLY 76 -6.134 7.410 -10.598 630 2HA GLY 76 2HA GLY 76 -7.453 8.022 -11.584 Start of MODEL 19 1 1H MET 1 1H MET 1 4.554 -20.684 -1.940 2 2H MET 1 2H MET 1 2.991 -21.260 -2.356 3 3H MET 1 3H MET 1 3.162 -19.934 -1.280 4 HA MET 1 HA MET 1 4.048 -19.936 -4.085 5 1HB MET 1 1HB MET 1 1.717 -20.118 -4.216 6 2HB MET 1 2HB MET 1 1.466 -19.175 -2.754 7 1HG MET 1 1HG MET 1 1.907 -17.150 -3.852 8 2HG MET 1 2HG MET 1 2.613 -17.966 -5.246 9 1HE MET 1 1HE MET 1 -1.290 -17.926 -3.485 10 2HE MET 1 2HE MET 1 -1.491 -16.545 -4.564 11 3HE MET 1 3HE MET 1 -0.138 -16.592 -3.434 12 H GLN 2 H GLN 2 5.730 -18.578 -4.101 13 HA GLN 2 HA GLN 2 6.001 -16.449 -2.188 14 1HB GLN 2 1HB GLN 2 7.664 -17.707 -4.252 15 2HB GLN 2 2HB GLN 2 7.914 -15.974 -4.098 16 1HG GLN 2 1HG GLN 2 8.217 -16.358 -1.626 17 2HG GLN 2 2HG GLN 2 8.253 -18.083 -1.988 18 1HE2 GLN 2 1HE2 GLN 2 10.282 -16.092 -0.975 19 2HE2 GLN 2 2HE2 GLN 2 11.660 -16.339 -1.987 20 H LEU 3 H LEU 3 6.238 -14.200 -2.736 21 HA LEU 3 HA LEU 3 5.015 -13.374 -5.265 22 1HB LEU 3 1HB LEU 3 4.164 -12.237 -2.605 23 2HB LEU 3 2HB LEU 3 3.505 -11.844 -4.182 24 HG LEU 3 HG LEU 3 3.311 -14.604 -2.994 25 1HD1 LEU 3 1HD1 LEU 3 0.810 -13.327 -2.902 26 2HD1 LEU 3 2HD1 LEU 3 1.966 -12.223 -2.154 27 3HD1 LEU 3 3HD1 LEU 3 1.801 -13.871 -1.547 28 1HD2 LEU 3 1HD2 LEU 3 2.821 -14.858 -5.211 29 2HD2 LEU 3 2HD2 LEU 3 2.227 -13.206 -5.384 30 3HD2 LEU 3 3HD2 LEU 3 1.226 -14.426 -4.597 31 H PHE 4 H PHE 4 5.720 -11.412 -6.049 32 HA PHE 4 HA PHE 4 7.920 -10.166 -4.540 33 1HB PHE 4 1HB PHE 4 7.469 -10.546 -7.489 34 2HB PHE 4 2HB PHE 4 8.571 -9.310 -6.893 35 HD1 PHE 4 HD1 PHE 4 7.872 -12.890 -6.059 36 HD2 PHE 4 HD2 PHE 4 10.772 -9.920 -7.036 37 HE1 PHE 4 HE1 PHE 4 9.658 -14.580 -5.880 38 HE2 PHE 4 HE2 PHE 4 12.562 -11.604 -6.859 39 HZ PHE 4 HZ PHE 4 12.006 -13.937 -6.279 40 H VAL 5 H VAL 5 7.352 -8.308 -3.635 41 HA VAL 5 HA VAL 5 5.313 -6.648 -4.946 42 HB VAL 5 HB VAL 5 6.337 -6.398 -2.118 43 1HG1 VAL 5 1HG1 VAL 5 3.701 -5.402 -3.102 44 2HG1 VAL 5 2HG1 VAL 5 5.161 -4.465 -3.418 45 3HG1 VAL 5 3HG1 VAL 5 4.689 -4.828 -1.759 46 1HG2 VAL 5 1HG2 VAL 5 4.690 -7.790 -1.346 47 2HG2 VAL 5 2HG2 VAL 5 5.069 -8.575 -2.879 48 3HG2 VAL 5 3HG2 VAL 5 3.656 -7.528 -2.750 49 H LYS 6 H LYS 6 5.970 -4.926 -6.033 50 HA LYS 6 HA LYS 6 8.625 -3.814 -5.471 51 1HB LYS 6 1HB LYS 6 8.641 -2.955 -7.679 52 2HB LYS 6 2HB LYS 6 8.004 -4.590 -7.803 53 1HG LYS 6 1HG LYS 6 6.469 -3.566 -9.095 54 2HG LYS 6 2HG LYS 6 5.704 -3.250 -7.537 55 1HD LYS 6 1HD LYS 6 5.789 -1.081 -8.028 56 2HD LYS 6 2HD LYS 6 7.544 -1.181 -7.873 57 1HE LYS 6 1HE LYS 6 7.804 -1.578 -10.206 58 2HE LYS 6 2HE LYS 6 6.069 -1.801 -10.423 59 1HZ LYS 6 1HZ LYS 6 5.685 0.485 -10.038 60 2HZ LYS 6 2HZ LYS 6 6.965 0.404 -11.140 61 3HZ LYS 6 3HZ LYS 6 7.271 0.752 -9.514 62 H THR 7 H THR 7 8.938 -1.629 -5.086 63 HA THR 7 HA THR 7 6.506 -0.144 -4.350 64 HB THR 7 HB THR 7 7.836 1.056 -2.734 65 HG1 THR 7 HG1 THR 7 9.967 -0.204 -4.048 66 1HG2 THR 7 1HG2 THR 7 9.023 -1.146 -1.659 67 2HG2 THR 7 2HG2 THR 7 7.766 -1.857 -2.672 68 3HG2 THR 7 3HG2 THR 7 7.338 -0.678 -1.431 69 H LEU 8 H LEU 8 6.769 2.282 -4.471 70 HA LEU 8 HA LEU 8 7.231 3.063 -7.112 71 1HB LEU 8 1HB LEU 8 6.724 4.468 -4.548 72 2HB LEU 8 2HB LEU 8 7.372 5.426 -5.865 73 HG LEU 8 HG LEU 8 5.464 4.750 -7.279 74 1HD1 LEU 8 1HD1 LEU 8 3.532 3.649 -6.198 75 2HD1 LEU 8 2HD1 LEU 8 4.532 3.354 -4.776 76 3HD1 LEU 8 3HD1 LEU 8 4.948 2.605 -6.316 77 1HD2 LEU 8 1HD2 LEU 8 4.747 5.978 -4.622 78 2HD2 LEU 8 2HD2 LEU 8 3.739 6.035 -6.067 79 3HD2 LEU 8 3HD2 LEU 8 5.315 6.825 -6.060 80 H THR 9 H THR 9 9.411 2.659 -4.500 81 HA THR 9 HA THR 9 11.468 4.310 -5.760 82 HB THR 9 HB THR 9 12.795 3.554 -3.686 83 HG1 THR 9 HG1 THR 9 10.211 2.953 -2.712 84 1HG2 THR 9 1HG2 THR 9 10.440 5.370 -3.655 85 2HG2 THR 9 2HG2 THR 9 12.157 5.740 -3.501 86 3HG2 THR 9 3HG2 THR 9 11.286 5.021 -2.147 87 H GLY 10 H GLY 10 10.337 1.256 -6.122 88 1HA GLY 10 1HA GLY 10 11.350 -0.286 -7.617 89 2HA GLY 10 2HA GLY 10 12.924 0.349 -7.164 90 H LYS 11 H LYS 11 12.439 0.232 -4.313 91 HA LYS 11 HA LYS 11 13.550 -2.131 -3.602 92 1HB LYS 11 1HB LYS 11 13.375 -0.561 -1.886 93 2HB LYS 11 2HB LYS 11 11.649 -0.334 -2.137 94 1HG LYS 11 1HG LYS 11 11.934 -1.505 -0.091 95 2HG LYS 11 2HG LYS 11 11.299 -2.652 -1.273 96 1HD LYS 11 1HD LYS 11 13.563 -3.514 -1.645 97 2HD LYS 11 2HD LYS 11 14.191 -2.372 -0.456 98 1HE LYS 11 1HE LYS 11 13.330 -3.529 1.315 99 2HE LYS 11 2HE LYS 11 11.981 -4.171 0.378 100 1HZ LYS 11 1HZ LYS 11 14.146 -5.308 -0.789 101 2HZ LYS 11 2HZ LYS 11 13.150 -6.051 0.357 102 3HZ LYS 11 3HZ LYS 11 14.581 -5.295 0.847 103 H THR 12 H THR 12 12.898 -4.018 -4.490 104 HA THR 12 HA THR 12 10.070 -4.766 -4.286 105 HB THR 12 HB THR 12 12.125 -6.406 -5.724 106 HG1 THR 12 HG1 THR 12 10.902 -4.041 -6.694 107 1HG2 THR 12 1HG2 THR 12 10.403 -7.247 -6.953 108 2HG2 THR 12 2HG2 THR 12 9.416 -5.798 -6.770 109 3HG2 THR 12 3HG2 THR 12 9.572 -6.934 -5.429 110 H LEU 13 H LEU 13 9.447 -6.040 -2.682 111 HA LEU 13 HA LEU 13 11.462 -7.730 -1.361 112 1HB LEU 13 1HB LEU 13 10.055 -7.643 0.623 113 2HB LEU 13 2HB LEU 13 10.491 -6.030 0.091 114 HG LEU 13 HG LEU 13 8.095 -6.378 -1.170 115 1HD1 LEU 13 1HD1 LEU 13 7.485 -7.407 1.545 116 2HD1 LEU 13 2HD1 LEU 13 8.056 -8.555 0.335 117 3HD1 LEU 13 3HD1 LEU 13 6.602 -7.605 0.032 118 1HD2 LEU 13 1HD2 LEU 13 7.194 -5.075 0.852 119 2HD2 LEU 13 2HD2 LEU 13 8.517 -4.369 -0.074 120 3HD2 LEU 13 3HD2 LEU 13 8.844 -5.166 1.464 121 H THR 14 H THR 14 10.939 -9.864 -0.800 122 HA THR 14 HA THR 14 8.605 -10.966 -2.220 123 HB THR 14 HB THR 14 11.221 -12.392 -1.728 124 HG1 THR 14 HG1 THR 14 11.591 -11.997 -3.954 125 1HG2 THR 14 1HG2 THR 14 9.113 -13.748 -2.140 126 2HG2 THR 14 2HG2 THR 14 10.493 -14.054 -3.195 127 3HG2 THR 14 3HG2 THR 14 9.142 -13.077 -3.771 128 H VAL 15 H VAL 15 7.454 -12.636 -1.238 129 HA VAL 15 HA VAL 15 8.231 -13.510 1.427 130 HB VAL 15 HB VAL 15 5.985 -12.961 2.364 131 1HG1 VAL 15 1HG1 VAL 15 7.647 -11.540 3.127 132 2HG1 VAL 15 2HG1 VAL 15 6.470 -10.415 2.451 133 3HG1 VAL 15 3HG1 VAL 15 7.918 -10.834 1.534 134 1HG2 VAL 15 1HG2 VAL 15 5.184 -10.799 0.819 135 2HG2 VAL 15 2HG2 VAL 15 4.387 -12.369 0.929 136 3HG2 VAL 15 3HG2 VAL 15 5.558 -12.061 -0.354 137 H GLU 16 H GLU 16 6.389 -15.023 2.298 138 HA GLU 16 HA GLU 16 5.505 -16.708 0.047 139 1HB GLU 16 1HB GLU 16 5.672 -18.169 2.521 140 2HB GLU 16 2HB GLU 16 6.482 -18.479 0.992 141 1HG GLU 16 1HG GLU 16 8.320 -17.104 1.587 142 2HG GLU 16 2HG GLU 16 7.471 -16.475 3.000 143 H LEU 17 H LEU 17 3.390 -16.893 -0.174 144 HA LEU 17 HA LEU 17 1.667 -17.055 2.156 145 1HB LEU 17 1HB LEU 17 1.989 -14.593 1.267 146 2HB LEU 17 2HB LEU 17 0.839 -15.112 0.049 147 HG LEU 17 HG LEU 17 -0.712 -15.762 1.928 148 1HD1 LEU 17 1HD1 LEU 17 0.326 -15.925 3.916 149 2HD1 LEU 17 2HD1 LEU 17 0.014 -14.192 4.004 150 3HD1 LEU 17 3HD1 LEU 17 1.589 -14.778 3.469 151 1HD2 LEU 17 1HD2 LEU 17 -1.300 -13.370 2.452 152 2HD2 LEU 17 2HD2 LEU 17 -1.176 -13.769 0.739 153 3HD2 LEU 17 3HD2 LEU 17 0.134 -12.903 1.540 154 H GLU 18 H GLU 18 -0.549 -17.696 1.584 155 HA GLU 18 HA GLU 18 -0.519 -19.409 -0.791 156 1HB GLU 18 1HB GLU 18 -2.621 -19.489 1.348 157 2HB GLU 18 2HB GLU 18 -2.101 -20.772 0.269 158 1HG GLU 18 1HG GLU 18 -0.678 -21.507 1.776 159 2HG GLU 18 2HG GLU 18 0.101 -19.931 1.863 160 HA PRO 19 HA PRO 19 -3.469 -17.055 -3.041 161 1HB PRO 19 1HB PRO 19 -5.086 -19.011 -4.060 162 2HB PRO 19 2HB PRO 19 -3.477 -18.639 -4.689 163 1HG PRO 19 1HG PRO 19 -4.322 -20.806 -2.804 164 2HG PRO 19 2HG PRO 19 -3.194 -20.888 -4.171 165 1HD PRO 19 1HD PRO 19 -2.332 -20.722 -1.626 166 2HD PRO 19 2HD PRO 19 -1.465 -19.936 -2.962 167 H SER 20 H SER 20 -4.547 -19.248 -0.580 168 HA SER 20 HA SER 20 -7.294 -18.457 -0.604 169 1HB SER 20 1HB SER 20 -7.170 -19.521 1.781 170 2HB SER 20 2HB SER 20 -6.985 -20.554 0.364 171 HG SER 20 HG SER 20 -4.921 -19.496 1.997 172 H ASP 21 H ASP 21 -4.433 -17.034 0.539 173 HA ASP 21 HA ASP 21 -5.410 -15.637 2.792 174 1HB ASP 21 1HB ASP 21 -3.059 -15.305 0.964 175 2HB ASP 21 2HB ASP 21 -3.441 -14.038 2.125 176 H THR 22 H THR 22 -5.734 -13.291 2.933 177 HA THR 22 HA THR 22 -7.155 -12.286 0.560 178 HB THR 22 HB THR 22 -8.678 -11.188 1.951 179 HG1 THR 22 HG1 THR 22 -7.967 -10.207 3.641 180 1HG2 THR 22 1HG2 THR 22 -8.557 -13.814 2.233 181 2HG2 THR 22 2HG2 THR 22 -9.691 -12.820 3.149 182 3HG2 THR 22 3HG2 THR 22 -8.189 -13.362 3.898 183 H VAL 23 H VAL 23 -7.165 -9.903 0.308 184 HA VAL 23 HA VAL 23 -4.663 -8.839 -0.028 185 HB VAL 23 HB VAL 23 -7.212 -7.318 0.538 186 1HG1 VAL 23 1HG1 VAL 23 -6.074 -5.473 -0.697 187 2HG1 VAL 23 2HG1 VAL 23 -4.579 -6.403 -0.605 188 3HG1 VAL 23 3HG1 VAL 23 -5.360 -5.841 0.873 189 1HG2 VAL 23 1HG2 VAL 23 -7.171 -8.933 -1.411 190 2HG2 VAL 23 2HG2 VAL 23 -5.946 -7.889 -2.131 191 3HG2 VAL 23 3HG2 VAL 23 -7.559 -7.257 -1.800 192 H GLU 24 H GLU 24 -6.834 -8.315 2.743 193 HA GLU 24 HA GLU 24 -5.297 -6.556 4.208 194 1HB GLU 24 1HB GLU 24 -7.631 -7.933 4.642 195 2HB GLU 24 2HB GLU 24 -6.559 -8.643 5.842 196 1HG GLU 24 1HG GLU 24 -6.064 -5.977 6.144 197 2HG GLU 24 2HG GLU 24 -7.780 -5.995 5.742 198 H ASN 25 H ASN 25 -5.104 -10.092 4.112 199 HA ASN 25 HA ASN 25 -3.178 -10.445 6.104 200 1HB ASN 25 1HB ASN 25 -3.728 -12.060 3.607 201 2HB ASN 25 2HB ASN 25 -2.641 -12.582 4.891 202 1HD2 ASN 25 1HD2 ASN 25 -3.571 -12.783 7.051 203 2HD2 ASN 25 2HD2 ASN 25 -5.214 -13.297 7.202 204 H LEU 26 H LEU 26 -2.693 -10.274 2.573 205 HA LEU 26 HA LEU 26 0.056 -10.361 2.503 206 1HB LEU 26 1HB LEU 26 -1.278 -10.409 0.486 207 2HB LEU 26 2HB LEU 26 -1.828 -8.767 0.766 208 HG LEU 26 HG LEU 26 0.492 -7.960 0.448 209 1HD1 LEU 26 1HD1 LEU 26 2.059 -9.603 -0.678 210 2HD1 LEU 26 2HD1 LEU 26 0.999 -10.875 -0.071 211 3HD1 LEU 26 3HD1 LEU 26 1.824 -9.801 1.059 212 1HD2 LEU 26 1HD2 LEU 26 -1.180 -8.094 -1.407 213 2HD2 LEU 26 2HD2 LEU 26 -0.452 -9.631 -1.876 214 3HD2 LEU 26 3HD2 LEU 26 0.504 -8.149 -1.931 215 H LYS 27 H LYS 27 -1.948 -7.413 2.629 216 HA LYS 27 HA LYS 27 0.107 -5.561 2.854 217 1HB LYS 27 1HB LYS 27 -2.703 -5.517 3.955 218 2HB LYS 27 2HB LYS 27 -1.621 -4.135 4.040 219 1HG LYS 27 1HG LYS 27 -1.518 -3.998 1.645 220 2HG LYS 27 2HG LYS 27 -2.450 -5.488 1.483 221 1HD LYS 27 1HD LYS 27 -4.423 -4.481 2.178 222 2HD LYS 27 2HD LYS 27 -3.577 -3.156 2.982 223 1HE LYS 27 1HE LYS 27 -4.747 -2.556 0.835 224 2HE LYS 27 2HE LYS 27 -3.040 -2.127 0.918 225 1HZ LYS 27 1HZ LYS 27 -3.136 -4.676 -0.135 226 2HZ LYS 27 2HZ LYS 27 -2.770 -3.244 -0.959 227 3HZ LYS 27 3HZ LYS 27 -4.360 -3.818 -0.928 228 H ALA 28 H ALA 28 -1.671 -7.239 5.437 229 HA ALA 28 HA ALA 28 -0.609 -6.122 7.678 230 1HB ALA 28 1HB ALA 28 -1.903 -7.737 8.500 231 2HB ALA 28 2HB ALA 28 -0.556 -8.848 8.254 232 3HB ALA 28 3HB ALA 28 -1.790 -8.670 7.008 233 H LYS 29 H LYS 29 0.877 -8.696 5.731 234 HA LYS 29 HA LYS 29 3.202 -8.984 7.288 235 1HB LYS 29 1HB LYS 29 2.891 -9.459 4.318 236 2HB LYS 29 2HB LYS 29 4.150 -10.123 5.351 237 1HG LYS 29 1HG LYS 29 1.420 -10.713 6.235 238 2HG LYS 29 2HG LYS 29 1.858 -11.405 4.671 239 1HD LYS 29 1HD LYS 29 4.063 -12.038 6.030 240 2HD LYS 29 2HD LYS 29 2.922 -11.987 7.376 241 1HE LYS 29 1HE LYS 29 1.978 -13.913 6.768 242 2HE LYS 29 2HE LYS 29 1.840 -13.399 5.088 243 1HZ LYS 29 1HZ LYS 29 3.948 -14.940 6.392 244 2HZ LYS 29 2HZ LYS 29 4.420 -13.874 5.166 245 3HZ LYS 29 3HZ LYS 29 3.298 -15.096 4.838 246 H ILE 30 H ILE 30 2.476 -6.953 4.481 247 HA ILE 30 HA ILE 30 5.049 -5.882 4.126 248 HB ILE 30 HB ILE 30 2.419 -4.522 3.533 249 1HG1 ILE 30 1HG1 ILE 30 4.108 -6.257 1.719 250 2HG1 ILE 30 2HG1 ILE 30 2.646 -6.804 2.535 251 1HG2 ILE 30 1HG2 ILE 30 5.079 -4.125 2.182 252 2HG2 ILE 30 2HG2 ILE 30 4.508 -3.119 3.514 253 3HG2 ILE 30 3HG2 ILE 30 3.611 -3.165 1.996 254 1HD1 ILE 30 1HD1 ILE 30 2.516 -6.031 0.080 255 2HD1 ILE 30 2HD1 ILE 30 2.566 -4.406 0.762 256 3HD1 ILE 30 3HD1 ILE 30 1.268 -5.513 1.212 257 H GLN 31 H GLN 31 2.687 -5.329 6.541 258 HA GLN 31 HA GLN 31 3.647 -2.706 7.282 259 1HB GLN 31 1HB GLN 31 1.296 -3.250 7.624 260 2HB GLN 31 2HB GLN 31 1.735 -4.596 8.666 261 1HG GLN 31 1HG GLN 31 2.721 -3.019 10.265 262 2HG GLN 31 2HG GLN 31 2.230 -1.681 9.228 263 1HE2 GLN 31 1HE2 GLN 31 0.379 -0.752 9.704 264 2HE2 GLN 31 2HE2 GLN 31 -0.917 -1.461 10.600 265 H ASP 32 H ASP 32 4.180 -6.023 8.200 266 HA ASP 32 HA ASP 32 5.730 -5.276 10.542 267 1HB ASP 32 1HB ASP 32 4.301 -7.581 9.726 268 2HB ASP 32 2HB ASP 32 5.985 -8.040 9.938 269 H LYS 33 H LYS 33 6.302 -5.417 7.298 270 HA LYS 33 HA LYS 33 9.126 -6.161 7.688 271 1HB LYS 33 1HB LYS 33 7.375 -6.377 5.240 272 2HB LYS 33 2HB LYS 33 9.122 -6.574 5.197 273 1HG LYS 33 1HG LYS 33 8.682 -8.357 7.047 274 2HG LYS 33 2HG LYS 33 7.045 -8.346 6.389 275 1HD LYS 33 1HD LYS 33 7.728 -9.720 4.781 276 2HD LYS 33 2HD LYS 33 8.788 -8.441 4.183 277 1HE LYS 33 1HE LYS 33 10.380 -10.003 4.561 278 2HE LYS 33 2HE LYS 33 10.299 -9.343 6.195 279 1HZ LYS 33 1HZ LYS 33 8.716 -11.684 5.293 280 2HZ LYS 33 2HZ LYS 33 8.900 -11.119 6.876 281 3HZ LYS 33 3HZ LYS 33 10.215 -11.809 6.067 282 H GLU 34 H GLU 34 7.116 -4.142 5.535 283 HA GLU 34 HA GLU 34 9.322 -2.219 5.381 284 1HB GLU 34 1HB GLU 34 6.944 -2.805 3.659 285 2HB GLU 34 2HB GLU 34 7.698 -1.220 3.581 286 1HG GLU 34 1HG GLU 34 9.109 -3.838 3.114 287 2HG GLU 34 2HG GLU 34 8.524 -2.752 1.853 288 H GLY 35 H GLY 35 7.065 -2.671 7.507 289 1HA GLY 35 1HA GLY 35 5.790 -1.365 8.898 290 2HA GLY 35 2HA GLY 35 6.985 -0.127 8.552 291 H ILE 36 H ILE 36 4.737 -1.590 6.253 292 HA ILE 36 HA ILE 36 3.596 1.085 5.814 293 HB ILE 36 HB ILE 36 3.313 -1.234 3.923 294 1HG1 ILE 36 1HG1 ILE 36 5.593 0.719 4.203 295 2HG1 ILE 36 2HG1 ILE 36 5.668 -1.039 4.115 296 1HG2 ILE 36 1HG2 ILE 36 3.356 1.711 3.325 297 2HG2 ILE 36 2HG2 ILE 36 1.880 0.857 3.778 298 3HG2 ILE 36 3HG2 ILE 36 2.753 0.394 2.317 299 1HD1 ILE 36 1HD1 ILE 36 4.801 0.733 1.847 300 2HD1 ILE 36 2HD1 ILE 36 5.095 -1.006 1.795 301 3HD1 ILE 36 3HD1 ILE 36 6.435 0.109 2.065 302 HA PRO 37 HA PRO 37 -0.156 -0.619 7.533 303 1HB PRO 37 1HB PRO 37 -1.578 1.650 7.559 304 2HB PRO 37 2HB PRO 37 -0.224 1.399 8.668 305 1HG PRO 37 1HG PRO 37 -0.328 2.969 6.121 306 2HG PRO 37 2HG PRO 37 0.456 3.378 7.657 307 1HD PRO 37 1HD PRO 37 1.765 2.332 5.469 308 2HD PRO 37 2HD PRO 37 2.340 2.192 7.141 309 HA PRO 38 HA PRO 38 -2.629 -1.633 4.012 310 1HB PRO 38 1HB PRO 38 -4.946 -1.543 5.854 311 2HB PRO 38 2HB PRO 38 -4.348 -2.877 4.865 312 1HG PRO 38 1HG PRO 38 -4.013 -2.864 7.517 313 2HG PRO 38 2HG PRO 38 -2.763 -3.503 6.432 314 1HD PRO 38 1HD PRO 38 -2.875 -0.876 7.862 315 2HD PRO 38 2HD PRO 38 -1.487 -1.948 7.578 316 H ASP 39 H ASP 39 -3.642 0.957 6.168 317 HA ASP 39 HA ASP 39 -5.616 2.069 4.468 318 1HB ASP 39 1HB ASP 39 -5.714 3.862 5.984 319 2HB ASP 39 2HB ASP 39 -5.244 2.486 6.978 320 H GLN 40 H GLN 40 -2.161 2.304 4.573 321 HA GLN 40 HA GLN 40 -2.226 4.451 2.561 322 1HB GLN 40 1HB GLN 40 0.021 3.540 4.366 323 2HB GLN 40 2HB GLN 40 0.173 4.784 3.133 324 1HG GLN 40 1HG GLN 40 -2.031 5.509 4.711 325 2HG GLN 40 2HG GLN 40 -0.763 5.001 5.826 326 1HE2 GLN 40 1HE2 GLN 40 0.910 6.323 6.197 327 2HE2 GLN 40 2HE2 GLN 40 1.170 7.834 5.400 328 H GLN 41 H GLN 41 -2.291 1.263 2.557 329 HA GLN 41 HA GLN 41 -0.176 0.872 0.566 330 1HB GLN 41 1HB GLN 41 -1.637 -0.893 2.439 331 2HB GLN 41 2HB GLN 41 -1.237 -1.591 0.876 332 1HG GLN 41 1HG GLN 41 1.135 -0.867 1.282 333 2HG GLN 41 2HG GLN 41 0.647 -0.474 2.931 334 1HE2 GLN 41 1HE2 GLN 41 0.388 -2.076 4.395 335 2HE2 GLN 41 2HE2 GLN 41 0.696 -3.744 4.068 336 H ARG 42 H ARG 42 -0.614 0.752 -1.529 337 HA ARG 42 HA ARG 42 -3.355 0.112 -2.381 338 1HB ARG 42 1HB ARG 42 -1.651 2.450 -3.188 339 2HB ARG 42 2HB ARG 42 -2.859 1.808 -4.293 340 1HG ARG 42 1HG ARG 42 -4.540 2.119 -2.429 341 2HG ARG 42 2HG ARG 42 -3.290 3.039 -1.589 342 1HD ARG 42 1HD ARG 42 -4.679 4.587 -2.764 343 2HD ARG 42 2HD ARG 42 -3.124 4.511 -3.591 344 HE ARG 42 HE ARG 42 -4.191 3.683 -5.436 345 1HH1 ARG 42 1HH1 ARG 42 -7.658 2.863 -3.609 346 2HH1 ARG 42 2HH1 ARG 42 -6.291 3.375 -2.677 347 1HH2 ARG 42 1HH2 ARG 42 -5.983 3.010 -6.677 348 2HH2 ARG 42 2HH2 ARG 42 -7.482 2.655 -5.885 349 H LEU 43 H LEU 43 -2.791 -1.964 -2.994 350 HA LEU 43 HA LEU 43 -0.568 -2.353 -4.827 351 1HB LEU 43 1HB LEU 43 -2.534 -4.329 -3.669 352 2HB LEU 43 2HB LEU 43 -1.136 -4.744 -4.644 353 HG LEU 43 HG LEU 43 -0.692 -3.175 -2.150 354 1HD1 LEU 43 1HD1 LEU 43 -1.254 -4.782 -0.711 355 2HD1 LEU 43 2HD1 LEU 43 -0.570 -6.049 -1.729 356 3HD1 LEU 43 3HD1 LEU 43 -2.208 -5.465 -2.027 357 1HD2 LEU 43 1HD2 LEU 43 1.250 -3.539 -3.408 358 2HD2 LEU 43 2HD2 LEU 43 0.808 -5.208 -3.771 359 3HD2 LEU 43 3HD2 LEU 43 1.309 -4.762 -2.139 360 H ILE 44 H ILE 44 -0.725 -2.691 -6.962 361 HA ILE 44 HA ILE 44 -3.410 -2.996 -8.133 362 HB ILE 44 HB ILE 44 -1.291 -1.442 -9.567 363 1HG1 ILE 44 1HG1 ILE 44 -3.129 -0.420 -7.402 364 2HG1 ILE 44 2HG1 ILE 44 -1.378 -0.255 -7.503 365 1HG2 ILE 44 1HG2 ILE 44 -3.498 -2.293 -10.569 366 2HG2 ILE 44 2HG2 ILE 44 -3.052 -0.609 -10.843 367 3HG2 ILE 44 3HG2 ILE 44 -4.256 -1.014 -9.619 368 1HD1 ILE 44 1HD1 ILE 44 -1.722 1.166 -9.530 369 2HD1 ILE 44 2HD1 ILE 44 -2.327 1.849 -8.021 370 3HD1 ILE 44 3HD1 ILE 44 -3.449 1.131 -9.176 371 H PHE 45 H PHE 45 -3.442 -4.981 -8.977 372 HA PHE 45 HA PHE 45 -1.056 -5.922 -10.427 373 1HB PHE 45 1HB PHE 45 -1.951 -7.194 -8.347 374 2HB PHE 45 2HB PHE 45 -3.225 -7.747 -9.430 375 HD1 PHE 45 HD1 PHE 45 0.429 -7.236 -9.974 376 HD2 PHE 45 HD2 PHE 45 -2.843 -9.969 -9.897 377 HE1 PHE 45 HE1 PHE 45 1.910 -9.026 -10.799 378 HE2 PHE 45 HE2 PHE 45 -1.368 -11.764 -10.721 379 HZ PHE 45 HZ PHE 45 1.012 -11.293 -11.173 380 H ALA 46 H ALA 46 -1.218 -6.250 -12.545 381 HA ALA 46 HA ALA 46 -2.086 -6.281 -14.653 382 1HB ALA 46 1HB ALA 46 -3.126 -8.408 -13.266 383 2HB ALA 46 2HB ALA 46 -3.233 -8.164 -15.009 384 3HB ALA 46 3HB ALA 46 -4.561 -7.658 -13.966 385 H GLY 47 H GLY 47 -2.844 -4.044 -12.907 386 1HA GLY 47 1HA GLY 47 -4.067 -2.116 -13.291 387 2HA GLY 47 2HA GLY 47 -4.900 -2.946 -14.595 388 H LYS 48 H LYS 48 -4.815 -4.479 -11.512 389 HA LYS 48 HA LYS 48 -7.605 -3.656 -11.037 390 1HB LYS 48 1HB LYS 48 -6.780 -6.186 -11.677 391 2HB LYS 48 2HB LYS 48 -6.782 -6.247 -9.920 392 1HG LYS 48 1HG LYS 48 -8.944 -6.731 -10.095 393 2HG LYS 48 2HG LYS 48 -9.175 -5.026 -10.487 394 1HD LYS 48 1HD LYS 48 -9.971 -5.643 -12.470 395 2HD LYS 48 2HD LYS 48 -8.373 -6.275 -12.873 396 1HE LYS 48 1HE LYS 48 -9.142 -8.369 -11.560 397 2HE LYS 48 2HE LYS 48 -10.763 -7.720 -11.793 398 1HZ LYS 48 1HZ LYS 48 -10.495 -7.819 -14.140 399 2HZ LYS 48 2HZ LYS 48 -10.037 -9.325 -13.523 400 3HZ LYS 48 3HZ LYS 48 -8.855 -8.218 -14.011 401 H GLN 49 H GLN 49 -7.635 -2.333 -9.343 402 HA GLN 49 HA GLN 49 -5.625 -2.301 -7.330 403 1HB GLN 49 1HB GLN 49 -7.696 -0.603 -8.166 404 2HB GLN 49 2HB GLN 49 -8.081 -1.020 -6.502 405 1HG GLN 49 1HG GLN 49 -5.283 -0.270 -7.014 406 2HG GLN 49 2HG GLN 49 -6.475 1.012 -7.217 407 1HE2 GLN 49 1HE2 GLN 49 -8.253 0.708 -5.331 408 2HE2 GLN 49 2HE2 GLN 49 -7.553 0.732 -3.752 409 H LEU 50 H LEU 50 -5.429 -4.038 -6.042 410 HA LEU 50 HA LEU 50 -7.387 -5.828 -5.275 411 1HB LEU 50 1HB LEU 50 -5.128 -5.058 -3.450 412 2HB LEU 50 2HB LEU 50 -5.884 -6.629 -3.642 413 HG LEU 50 HG LEU 50 -3.986 -5.261 -5.540 414 1HD1 LEU 50 1HD1 LEU 50 -3.009 -7.715 -5.175 415 2HD1 LEU 50 2HD1 LEU 50 -3.855 -7.525 -3.639 416 3HD1 LEU 50 3HD1 LEU 50 -2.615 -6.363 -4.112 417 1HD2 LEU 50 1HD2 LEU 50 -4.857 -7.953 -6.243 418 2HD2 LEU 50 2HD2 LEU 50 -4.652 -6.526 -7.257 419 3HD2 LEU 50 3HD2 LEU 50 -6.144 -6.751 -6.344 420 H GLU 51 H GLU 51 -9.131 -5.672 -4.039 421 HA GLU 51 HA GLU 51 -9.411 -3.355 -2.272 422 1HB GLU 51 1HB GLU 51 -11.378 -5.265 -3.508 423 2HB GLU 51 2HB GLU 51 -11.840 -4.214 -2.177 424 1HG GLU 51 1HG GLU 51 -10.955 -3.442 -4.936 425 2HG GLU 51 2HG GLU 51 -12.494 -3.109 -4.144 426 H ASP 52 H ASP 52 -9.002 -3.597 -0.182 427 HA ASP 52 HA ASP 52 -8.328 -5.923 1.114 428 1HB ASP 52 1HB ASP 52 -8.714 -3.226 1.839 429 2HB ASP 52 2HB ASP 52 -9.667 -4.178 2.973 430 H GLY 53 H GLY 53 -9.620 -7.685 0.847 431 1HA GLY 53 1HA GLY 53 -11.545 -8.445 2.518 432 2HA GLY 53 2HA GLY 53 -12.478 -7.480 1.382 433 H ARG 54 H ARG 54 -10.415 -8.431 -0.713 434 HA ARG 54 HA ARG 54 -11.867 -10.894 -1.355 435 1HB ARG 54 1HB ARG 54 -10.002 -9.567 -3.275 436 2HB ARG 54 2HB ARG 54 -11.483 -10.459 -3.594 437 1HG ARG 54 1HG ARG 54 -11.646 -7.864 -2.141 438 2HG ARG 54 2HG ARG 54 -11.388 -7.864 -3.887 439 1HD ARG 54 1HD ARG 54 -13.502 -8.451 -4.305 440 2HD ARG 54 2HD ARG 54 -13.486 -9.700 -3.061 441 HE ARG 54 HE ARG 54 -14.543 -8.243 -1.659 442 1HH1 ARG 54 1HH1 ARG 54 -13.759 -4.926 -3.757 443 2HH1 ARG 54 2HH1 ARG 54 -13.061 -6.437 -4.239 444 1HH2 ARG 54 1HH2 ARG 54 -15.467 -6.259 -1.013 445 2HH2 ARG 54 2HH2 ARG 54 -15.125 -4.825 -1.922 446 H THR 55 H THR 55 -10.658 -12.675 -2.352 447 HA THR 55 HA THR 55 -8.193 -13.153 -0.882 448 HB THR 55 HB THR 55 -8.490 -15.479 -2.005 449 HG1 THR 55 HG1 THR 55 -10.333 -15.851 -2.990 450 1HG2 THR 55 1HG2 THR 55 -10.488 -14.465 0.000 451 2HG2 THR 55 2HG2 THR 55 -8.927 -15.214 0.337 452 3HG2 THR 55 3HG2 THR 55 -10.222 -16.163 -0.391 453 H LEU 56 H LEU 56 -6.326 -14.126 -1.957 454 HA LEU 56 HA LEU 56 -5.405 -12.590 -4.103 455 1HB LEU 56 1HB LEU 56 -4.420 -15.272 -3.126 456 2HB LEU 56 2HB LEU 56 -3.542 -14.219 -4.219 457 HG LEU 56 HG LEU 56 -3.969 -13.975 -1.287 458 1HD1 LEU 56 1HD1 LEU 56 -1.842 -14.732 -1.907 459 2HD1 LEU 56 2HD1 LEU 56 -1.621 -13.018 -1.555 460 3HD1 LEU 56 3HD1 LEU 56 -1.716 -13.570 -3.227 461 1HD2 LEU 56 1HD2 LEU 56 -4.913 -11.920 -1.740 462 2HD2 LEU 56 2HD2 LEU 56 -3.971 -11.692 -3.213 463 3HD2 LEU 56 3HD2 LEU 56 -3.200 -11.513 -1.637 464 H SER 57 H SER 57 -6.826 -15.822 -4.018 465 HA SER 57 HA SER 57 -6.365 -16.553 -6.675 466 1HB SER 57 1HB SER 57 -7.367 -18.420 -5.954 467 2HB SER 57 2HB SER 57 -7.803 -17.592 -4.460 468 HG SER 57 HG SER 57 -9.720 -16.918 -5.447 469 H ASP 58 H ASP 58 -8.647 -14.346 -5.290 470 HA ASP 58 HA ASP 58 -10.517 -14.293 -7.413 471 1HB ASP 58 1HB ASP 58 -9.828 -12.286 -5.266 472 2HB ASP 58 2HB ASP 58 -11.124 -12.033 -6.431 473 H TYR 59 H TYR 59 -7.321 -13.324 -7.315 474 HA TYR 59 HA TYR 59 -7.742 -11.415 -9.521 475 1HB TYR 59 1HB TYR 59 -5.488 -11.522 -7.508 476 2HB TYR 59 2HB TYR 59 -5.544 -10.433 -8.889 477 HD1 TYR 59 HD1 TYR 59 -7.536 -8.806 -9.024 478 HD2 TYR 59 HD2 TYR 59 -6.455 -10.900 -5.473 479 HE1 TYR 59 HE1 TYR 59 -8.787 -7.161 -7.681 480 HE2 TYR 59 HE2 TYR 59 -7.702 -9.262 -4.119 481 HH TYR 59 HH TYR 59 -9.350 -7.619 -4.271 482 H ASN 60 H ASN 60 -7.485 -14.363 -9.608 483 HA ASN 60 HA ASN 60 -6.261 -16.021 -10.628 484 1HB ASN 60 1HB ASN 60 -5.570 -15.312 -12.980 485 2HB ASN 60 2HB ASN 60 -7.268 -15.106 -12.563 486 1HD2 ASN 60 1HD2 ASN 60 -8.150 -13.195 -12.913 487 2HD2 ASN 60 2HD2 ASN 60 -7.291 -11.725 -13.210 488 H LEU 61 H LEU 61 -4.696 -14.756 -8.695 489 HA LEU 61 HA LEU 61 -2.180 -13.909 -9.676 490 1HB LEU 61 1HB LEU 61 -3.264 -14.756 -7.037 491 2HB LEU 61 2HB LEU 61 -1.522 -14.731 -7.235 492 HG LEU 61 HG LEU 61 -3.148 -12.318 -7.957 493 1HD1 LEU 61 1HD1 LEU 61 -2.113 -12.924 -5.194 494 2HD1 LEU 61 2HD1 LEU 61 -3.807 -13.022 -5.672 495 3HD1 LEU 61 3HD1 LEU 61 -2.966 -11.472 -5.718 496 1HD2 LEU 61 1HD2 LEU 61 -1.096 -11.151 -7.450 497 2HD2 LEU 61 2HD2 LEU 61 -0.769 -12.455 -8.592 498 3HD2 LEU 61 3HD2 LEU 61 -0.349 -12.647 -6.889 499 H GLN 62 H GLN 62 -0.119 -15.064 -9.320 500 HA GLN 62 HA GLN 62 -0.281 -17.972 -9.327 501 1HB GLN 62 1HB GLN 62 0.574 -16.311 -11.667 502 2HB GLN 62 2HB GLN 62 1.341 -17.868 -11.387 503 1HG GLN 62 1HG GLN 62 -1.638 -17.584 -11.522 504 2HG GLN 62 2HG GLN 62 -0.653 -17.783 -12.971 505 1HE2 GLN 62 1HE2 GLN 62 -2.259 -19.341 -10.467 506 2HE2 GLN 62 2HE2 GLN 62 -1.647 -20.936 -10.724 507 H LYS 63 H LYS 63 1.936 -18.961 -9.344 508 HA LYS 63 HA LYS 63 3.471 -18.178 -7.249 509 1HB LYS 63 1HB LYS 63 4.006 -20.279 -8.058 510 2HB LYS 63 2HB LYS 63 4.096 -19.730 -9.726 511 1HG LYS 63 1HG LYS 63 6.296 -20.257 -9.078 512 2HG LYS 63 2HG LYS 63 6.198 -18.496 -9.085 513 1HD LYS 63 1HD LYS 63 6.318 -18.342 -6.799 514 2HD LYS 63 2HD LYS 63 5.624 -19.945 -6.548 515 1HE LYS 63 1HE LYS 63 7.636 -20.910 -6.510 516 2HE LYS 63 2HE LYS 63 8.152 -20.057 -7.965 517 1HZ LYS 63 1HZ LYS 63 8.692 -19.463 -5.204 518 2HZ LYS 63 2HZ LYS 63 8.170 -18.115 -6.084 519 3HZ LYS 63 3HZ LYS 63 9.527 -18.986 -6.597 520 H GLU 64 H GLU 64 5.196 -16.849 -6.858 521 HA GLU 64 HA GLU 64 6.294 -14.842 -7.043 522 1HB GLU 64 1HB GLU 64 7.943 -16.301 -7.982 523 2HB GLU 64 2HB GLU 64 7.121 -16.328 -9.537 524 1HG GLU 64 1HG GLU 64 7.798 -13.634 -8.752 525 2HG GLU 64 2HG GLU 64 9.218 -14.680 -8.775 526 H SER 65 H SER 65 4.511 -13.436 -7.234 527 HA SER 65 HA SER 65 3.828 -12.600 -9.967 528 1HB SER 65 1HB SER 65 2.375 -12.432 -7.344 529 2HB SER 65 2HB SER 65 1.956 -11.336 -8.661 530 HG SER 65 HG SER 65 1.700 -14.129 -8.512 531 H THR 66 H THR 66 3.632 -10.316 -10.416 532 HA THR 66 HA THR 66 5.447 -8.690 -8.759 533 HB THR 66 HB THR 66 4.964 -8.515 -11.740 534 HG1 THR 66 HG1 THR 66 7.185 -9.191 -11.793 535 1HG2 THR 66 1HG2 THR 66 7.326 -7.195 -10.722 536 2HG2 THR 66 2HG2 THR 66 5.841 -6.491 -10.085 537 3HG2 THR 66 3HG2 THR 66 6.086 -6.607 -11.828 538 H ILE 67 H ILE 67 3.942 -7.682 -7.481 539 HA ILE 67 HA ILE 67 1.735 -6.264 -8.783 540 HB ILE 67 HB ILE 67 2.206 -6.399 -5.816 541 1HG1 ILE 67 1HG1 ILE 67 0.242 -8.292 -6.840 542 2HG1 ILE 67 2HG1 ILE 67 1.866 -8.642 -7.425 543 1HG2 ILE 67 1HG2 ILE 67 -0.516 -6.497 -6.486 544 2HG2 ILE 67 2HG2 ILE 67 0.208 -5.282 -7.541 545 3HG2 ILE 67 3HG2 ILE 67 0.376 -5.143 -5.792 546 1HD1 ILE 67 1HD1 ILE 67 2.674 -9.076 -5.317 547 2HD1 ILE 67 2HD1 ILE 67 1.028 -9.701 -5.217 548 3HD1 ILE 67 3HD1 ILE 67 1.417 -8.126 -4.524 549 H HIS 68 H HIS 68 1.446 -4.052 -8.619 550 HA HIS 68 HA HIS 68 3.874 -2.541 -8.018 551 1HB HIS 68 1HB HIS 68 1.330 -1.672 -9.407 552 2HB HIS 68 2HB HIS 68 2.789 -0.701 -9.237 553 HD1 HIS 68 HD1 HIS 68 3.294 -0.528 -11.722 554 HD2 HIS 68 HD2 HIS 68 2.955 -4.447 -10.384 555 HE1 HIS 68 HE1 HIS 68 4.111 -1.961 -13.621 556 HE2 HIS 68 HE2 HIS 68 3.970 -4.323 -12.760 557 H LEU 69 H LEU 69 3.988 -2.073 -5.897 558 HA LEU 69 HA LEU 69 1.647 -1.413 -4.356 559 1HB LEU 69 1HB LEU 69 3.420 -2.637 -3.280 560 2HB LEU 69 2HB LEU 69 4.586 -1.392 -3.686 561 HG LEU 69 HG LEU 69 2.956 0.123 -2.249 562 1HD1 LEU 69 1HD1 LEU 69 2.645 -2.182 -0.494 563 2HD1 LEU 69 2HD1 LEU 69 1.680 -2.287 -1.967 564 3HD1 LEU 69 3HD1 LEU 69 1.505 -0.897 -0.895 565 1HD2 LEU 69 1HD2 LEU 69 5.121 0.076 -1.511 566 2HD2 LEU 69 2HD2 LEU 69 5.177 -1.685 -1.444 567 3HD2 LEU 69 3HD2 LEU 69 4.320 -0.782 -0.194 568 H VAL 70 H VAL 70 0.736 0.503 -4.309 569 HA VAL 70 HA VAL 70 2.374 2.869 -4.926 570 HB VAL 70 HB VAL 70 -0.568 3.131 -4.976 571 1HG1 VAL 70 1HG1 VAL 70 1.068 3.933 -7.277 572 2HG1 VAL 70 2HG1 VAL 70 1.528 4.674 -5.744 573 3HG1 VAL 70 3HG1 VAL 70 -0.119 4.850 -6.350 574 1HG2 VAL 70 1HG2 VAL 70 0.834 1.112 -6.574 575 2HG2 VAL 70 2HG2 VAL 70 -0.169 2.222 -7.509 576 3HG2 VAL 70 3HG2 VAL 70 -0.881 1.277 -6.202 577 H LEU 71 H LEU 71 2.026 4.784 -3.728 578 HA LEU 71 HA LEU 71 1.054 4.277 -1.003 579 1HB LEU 71 1HB LEU 71 3.469 5.209 -1.771 580 2HB LEU 71 2HB LEU 71 2.608 6.724 -1.582 581 HG LEU 71 HG LEU 71 3.773 6.216 0.465 582 1HD1 LEU 71 1HD1 LEU 71 1.020 5.489 1.267 583 2HD1 LEU 71 2HD1 LEU 71 1.221 6.981 0.347 584 3HD1 LEU 71 3HD1 LEU 71 2.082 6.761 1.871 585 1HD2 LEU 71 1HD2 LEU 71 2.241 3.852 1.207 586 2HD2 LEU 71 2HD2 LEU 71 3.967 4.180 1.358 587 3HD2 LEU 71 3HD2 LEU 71 3.312 3.586 -0.167 588 H ARG 72 H ARG 72 -0.711 5.268 -0.284 589 HA ARG 72 HA ARG 72 -2.065 7.171 -2.004 590 1HB ARG 72 1HB ARG 72 -3.061 5.165 -0.586 591 2HB ARG 72 2HB ARG 72 -3.135 6.393 0.670 592 1HG ARG 72 1HG ARG 72 -4.519 7.794 -0.740 593 2HG ARG 72 2HG ARG 72 -4.390 6.628 -2.058 594 1HD ARG 72 1HD ARG 72 -5.308 4.995 -0.168 595 2HD ARG 72 2HD ARG 72 -5.974 6.507 0.449 596 HE ARG 72 HE ARG 72 -6.743 5.115 -1.975 597 1HH1 ARG 72 1HH1 ARG 72 -8.305 8.644 -0.910 598 2HH1 ARG 72 2HH1 ARG 72 -6.885 8.054 -0.113 599 1HH2 ARG 72 1HH2 ARG 72 -8.613 5.882 -3.032 600 2HH2 ARG 72 2HH2 ARG 72 -9.288 7.409 -2.569 601 H LEU 73 H LEU 73 -2.323 9.304 -1.630 602 HA LEU 73 HA LEU 73 -0.603 10.591 0.235 603 1HB LEU 73 1HB LEU 73 -2.891 11.914 -1.197 604 2HB LEU 73 2HB LEU 73 -1.381 12.630 -0.667 605 HG LEU 73 HG LEU 73 -1.241 10.458 -2.697 606 1HD1 LEU 73 1HD1 LEU 73 -3.116 12.063 -3.333 607 2HD1 LEU 73 2HD1 LEU 73 -1.825 11.822 -4.510 608 3HD1 LEU 73 3HD1 LEU 73 -1.852 13.279 -3.517 609 1HD2 LEU 73 1HD2 LEU 73 0.448 12.319 -3.526 610 2HD2 LEU 73 2HD2 LEU 73 0.866 11.186 -2.241 611 3HD2 LEU 73 3HD2 LEU 73 0.337 12.819 -1.839 612 H ARG 74 H ARG 74 -1.852 12.636 1.375 613 HA ARG 74 HA ARG 74 -2.819 11.814 3.747 614 1HB ARG 74 1HB ARG 74 -3.964 13.983 3.966 615 2HB ARG 74 2HB ARG 74 -2.357 14.153 3.272 616 1HG ARG 74 1HG ARG 74 -3.553 14.112 1.002 617 2HG ARG 74 2HG ARG 74 -5.019 14.423 1.933 618 1HD ARG 74 1HD ARG 74 -2.978 16.192 2.836 619 2HD ARG 74 2HD ARG 74 -3.046 16.269 1.075 620 HE ARG 74 HE ARG 74 -4.939 17.341 2.887 621 1HH1 ARG 74 1HH1 ARG 74 -6.148 16.428 -0.818 622 2HH1 ARG 74 2HH1 ARG 74 -4.687 15.740 -0.195 623 1HH2 ARG 74 1HH2 ARG 74 -6.866 18.254 2.077 624 2HH2 ARG 74 2HH2 ARG 74 -7.387 17.859 0.474 625 H GLY 75 H GLY 75 -4.708 12.155 0.786 626 1HA GLY 75 1HA GLY 75 -6.865 11.542 0.273 627 2HA GLY 75 2HA GLY 75 -6.533 10.167 1.315 628 H GLY 76 H GLY 76 -6.859 13.618 2.101 629 1HA GLY 76 1HA GLY 76 -9.349 13.037 3.528 630 2HA GLY 76 2HA GLY 76 -8.000 13.664 4.463 Start of MODEL 20 1 1H MET 1 1H MET 1 2.571 -20.235 -1.363 2 2H MET 1 2H MET 1 4.262 -20.075 -1.613 3 3H MET 1 3H MET 1 3.358 -21.203 -2.538 4 HA MET 1 HA MET 1 3.272 -19.665 -4.059 5 1HB MET 1 1HB MET 1 1.061 -19.587 -2.520 6 2HB MET 1 2HB MET 1 1.572 -17.912 -2.375 7 1HG MET 1 1HG MET 1 1.244 -17.472 -4.605 8 2HG MET 1 2HG MET 1 1.407 -19.164 -5.072 9 1HE MET 1 1HE MET 1 -2.369 -16.939 -3.870 10 2HE MET 1 2HE MET 1 -0.852 -16.294 -4.495 11 3HE MET 1 3HE MET 1 -0.959 -16.828 -2.819 12 H GLN 2 H GLN 2 5.126 -18.599 -4.455 13 HA GLN 2 HA GLN 2 6.021 -16.498 -2.644 14 1HB GLN 2 1HB GLN 2 7.820 -17.838 -3.293 15 2HB GLN 2 2HB GLN 2 7.261 -17.953 -4.955 16 1HG GLN 2 1HG GLN 2 8.302 -16.068 -5.575 17 2HG GLN 2 2HG GLN 2 7.923 -15.240 -4.066 18 1HE2 GLN 2 1HE2 GLN 2 9.237 -15.709 -2.210 19 2HE2 GLN 2 2HE2 GLN 2 10.883 -16.190 -2.420 20 H LEU 3 H LEU 3 5.156 -14.552 -2.913 21 HA LEU 3 HA LEU 3 4.619 -13.617 -5.654 22 1HB LEU 3 1HB LEU 3 3.427 -12.525 -3.110 23 2HB LEU 3 2HB LEU 3 2.938 -12.163 -4.755 24 HG LEU 3 HG LEU 3 2.575 -14.785 -3.306 25 1HD1 LEU 3 1HD1 LEU 3 0.994 -13.106 -2.602 26 2HD1 LEU 3 2HD1 LEU 3 0.179 -14.285 -3.630 27 3HD1 LEU 3 3HD1 LEU 3 0.623 -12.706 -4.279 28 1HD2 LEU 3 1HD2 LEU 3 1.112 -14.799 -5.677 29 2HD2 LEU 3 2HD2 LEU 3 2.550 -15.752 -5.306 30 3HD2 LEU 3 3HD2 LEU 3 2.709 -14.198 -6.126 31 H PHE 4 H PHE 4 4.865 -11.241 -5.969 32 HA PHE 4 HA PHE 4 7.155 -10.219 -4.419 33 1HB PHE 4 1HB PHE 4 6.553 -9.741 -7.345 34 2HB PHE 4 2HB PHE 4 7.931 -9.100 -6.455 35 HD1 PHE 4 HD1 PHE 4 8.094 -10.725 -8.981 36 HD2 PHE 4 HD2 PHE 4 8.160 -11.859 -4.870 37 HE1 PHE 4 HE1 PHE 4 9.399 -12.736 -9.560 38 HE2 PHE 4 HE2 PHE 4 9.467 -13.870 -5.442 39 HZ PHE 4 HZ PHE 4 10.087 -14.310 -7.789 40 H VAL 5 H VAL 5 7.346 -7.858 -4.360 41 HA VAL 5 HA VAL 5 4.912 -6.347 -4.869 42 HB VAL 5 HB VAL 5 6.086 -6.612 -2.098 43 1HG1 VAL 5 1HG1 VAL 5 4.526 -4.485 -3.348 44 2HG1 VAL 5 2HG1 VAL 5 5.456 -4.480 -1.849 45 3HG1 VAL 5 3HG1 VAL 5 3.809 -5.108 -1.862 46 1HG2 VAL 5 1HG2 VAL 5 3.407 -7.363 -3.256 47 2HG2 VAL 5 2HG2 VAL 5 3.764 -7.332 -1.529 48 3HG2 VAL 5 3HG2 VAL 5 4.628 -8.446 -2.589 49 H LYS 6 H LYS 6 5.978 -4.999 -6.264 50 HA LYS 6 HA LYS 6 8.458 -3.734 -5.428 51 1HB LYS 6 1HB LYS 6 8.444 -2.737 -7.691 52 2HB LYS 6 2HB LYS 6 8.328 -4.491 -7.725 53 1HG LYS 6 1HG LYS 6 6.154 -4.473 -8.462 54 2HG LYS 6 2HG LYS 6 5.831 -2.868 -7.802 55 1HD LYS 6 1HD LYS 6 7.732 -3.335 -10.086 56 2HD LYS 6 2HD LYS 6 6.011 -3.029 -10.324 57 1HE LYS 6 1HE LYS 6 6.218 -0.894 -9.170 58 2HE LYS 6 2HE LYS 6 7.928 -1.206 -8.874 59 1HZ LYS 6 1HZ LYS 6 7.103 -1.370 -11.646 60 2HZ LYS 6 2HZ LYS 6 8.475 -0.652 -10.964 61 3HZ LYS 6 3HZ LYS 6 6.999 0.174 -10.961 62 H THR 7 H THR 7 8.729 -1.407 -5.515 63 HA THR 7 HA THR 7 6.244 0.054 -4.900 64 HB THR 7 HB THR 7 7.430 1.340 -3.234 65 HG1 THR 7 HG1 THR 7 9.604 0.933 -2.790 66 1HG2 THR 7 1HG2 THR 7 6.699 -1.164 -2.776 67 2HG2 THR 7 2HG2 THR 7 7.512 -0.178 -1.561 68 3HG2 THR 7 3HG2 THR 7 8.432 -1.344 -2.510 69 H LEU 8 H LEU 8 7.278 2.592 -4.689 70 HA LEU 8 HA LEU 8 7.805 3.194 -7.478 71 1HB LEU 8 1HB LEU 8 7.486 5.140 -5.200 72 2HB LEU 8 2HB LEU 8 7.330 5.472 -6.913 73 HG LEU 8 HG LEU 8 5.477 3.484 -5.685 74 1HD1 LEU 8 1HD1 LEU 8 5.277 6.470 -5.357 75 2HD1 LEU 8 2HD1 LEU 8 5.333 5.250 -4.085 76 3HD1 LEU 8 3HD1 LEU 8 3.925 5.359 -5.141 77 1HD2 LEU 8 1HD2 LEU 8 4.535 3.649 -7.683 78 2HD2 LEU 8 2HD2 LEU 8 5.771 4.812 -8.166 79 3HD2 LEU 8 3HD2 LEU 8 4.270 5.375 -7.429 80 H THR 9 H THR 9 9.752 2.298 -5.070 81 HA THR 9 HA THR 9 11.879 4.217 -5.742 82 HB THR 9 HB THR 9 12.994 3.117 -3.677 83 HG1 THR 9 HG1 THR 9 11.753 1.948 -2.398 84 1HG2 THR 9 1HG2 THR 9 11.538 4.467 -2.083 85 2HG2 THR 9 2HG2 THR 9 10.631 4.948 -3.517 86 3HG2 THR 9 3HG2 THR 9 12.347 5.336 -3.388 87 H GLY 10 H GLY 10 10.854 1.608 -7.073 88 1HA GLY 10 1HA GLY 10 11.863 0.037 -8.419 89 2HA GLY 10 2HA GLY 10 13.412 0.758 -8.005 90 H LYS 11 H LYS 11 11.630 -0.077 -5.267 91 HA LYS 11 HA LYS 11 13.441 -2.275 -4.710 92 1HB LYS 11 1HB LYS 11 13.223 -0.899 -2.846 93 2HB LYS 11 2HB LYS 11 11.498 -0.665 -3.095 94 1HG LYS 11 1HG LYS 11 11.033 -2.897 -2.324 95 2HG LYS 11 2HG LYS 11 12.758 -3.250 -2.203 96 1HD LYS 11 1HD LYS 11 12.718 -1.121 -0.635 97 2HD LYS 11 2HD LYS 11 11.027 -1.589 -0.446 98 1HE LYS 11 1HE LYS 11 11.760 -2.970 1.151 99 2HE LYS 11 2HE LYS 11 12.345 -3.977 -0.172 100 1HZ LYS 11 1HZ LYS 11 14.361 -2.246 0.098 101 2HZ LYS 11 2HZ LYS 11 14.297 -3.745 0.878 102 3HZ LYS 11 3HZ LYS 11 13.828 -2.344 1.701 103 H THR 12 H THR 12 12.954 -4.333 -5.057 104 HA THR 12 HA THR 12 10.139 -5.060 -5.487 105 HB THR 12 HB THR 12 12.504 -6.773 -6.212 106 HG1 THR 12 HG1 THR 12 12.540 -5.773 -8.205 107 1HG2 THR 12 1HG2 THR 12 11.081 -7.727 -7.855 108 2HG2 THR 12 2HG2 THR 12 9.825 -6.528 -7.547 109 3HG2 THR 12 3HG2 THR 12 10.210 -7.736 -6.322 110 H LEU 13 H LEU 13 9.166 -5.968 -3.809 111 HA LEU 13 HA LEU 13 10.757 -7.392 -1.811 112 1HB LEU 13 1HB LEU 13 8.595 -5.643 -1.640 113 2HB LEU 13 2HB LEU 13 7.914 -7.213 -1.263 114 HG LEU 13 HG LEU 13 10.339 -6.963 0.198 115 1HD1 LEU 13 1HD1 LEU 13 9.003 -4.439 -0.188 116 2HD1 LEU 13 2HD1 LEU 13 10.517 -4.795 0.643 117 3HD1 LEU 13 3HD1 LEU 13 8.986 -4.914 1.510 118 1HD2 LEU 13 1HD2 LEU 13 8.213 -8.245 0.698 119 2HD2 LEU 13 2HD2 LEU 13 7.540 -6.717 1.264 120 3HD2 LEU 13 3HD2 LEU 13 8.958 -7.403 2.056 121 H THR 14 H THR 14 9.911 -9.419 -0.911 122 HA THR 14 HA THR 14 8.175 -10.970 -2.659 123 HB THR 14 HB THR 14 10.966 -11.906 -1.968 124 HG1 THR 14 HG1 THR 14 11.476 -10.789 -3.658 125 1HG2 THR 14 1HG2 THR 14 9.583 -13.814 -2.169 126 2HG2 THR 14 2HG2 THR 14 10.468 -13.654 -3.686 127 3HG2 THR 14 3HG2 THR 14 8.778 -13.161 -3.595 128 H VAL 15 H VAL 15 6.755 -11.958 -1.401 129 HA VAL 15 HA VAL 15 7.630 -12.890 1.255 130 HB VAL 15 HB VAL 15 5.137 -12.533 1.872 131 1HG1 VAL 15 1HG1 VAL 15 7.166 -10.334 1.573 132 2HG1 VAL 15 2HG1 VAL 15 6.790 -11.293 3.005 133 3HG1 VAL 15 3HG1 VAL 15 5.632 -10.102 2.411 134 1HG2 VAL 15 1HG2 VAL 15 3.912 -10.926 0.679 135 2HG2 VAL 15 2HG2 VAL 15 4.591 -11.981 -0.561 136 3HG2 VAL 15 3HG2 VAL 15 5.323 -10.409 -0.243 137 H GLU 16 H GLU 16 6.199 -14.625 2.151 138 HA GLU 16 HA GLU 16 5.308 -16.417 -0.012 139 1HB GLU 16 1HB GLU 16 6.051 -17.561 2.622 140 2HB GLU 16 2HB GLU 16 6.290 -18.209 1.005 141 1HG GLU 16 1HG GLU 16 7.886 -15.961 2.211 142 2HG GLU 16 2HG GLU 16 8.394 -17.649 2.157 143 H LEU 17 H LEU 17 3.154 -16.362 -0.075 144 HA LEU 17 HA LEU 17 1.697 -16.735 2.454 145 1HB LEU 17 1HB LEU 17 0.645 -15.091 0.161 146 2HB LEU 17 2HB LEU 17 -0.014 -15.227 1.779 147 HG LEU 17 HG LEU 17 2.736 -14.170 1.629 148 1HD1 LEU 17 1HD1 LEU 17 2.356 -12.603 0.105 149 2HD1 LEU 17 2HD1 LEU 17 1.140 -11.922 1.186 150 3HD1 LEU 17 3HD1 LEU 17 0.668 -13.088 -0.050 151 1HD2 LEU 17 1HD2 LEU 17 0.393 -14.044 3.334 152 2HD2 LEU 17 2HD2 LEU 17 1.116 -12.459 3.062 153 3HD2 LEU 17 3HD2 LEU 17 2.091 -13.772 3.721 154 H GLU 18 H GLU 18 -0.745 -17.266 1.788 155 HA GLU 18 HA GLU 18 -0.577 -19.445 -0.189 156 1HB GLU 18 1HB GLU 18 -2.021 -19.237 2.432 157 2HB GLU 18 2HB GLU 18 -2.578 -20.353 1.197 158 1HG GLU 18 1HG GLU 18 -1.064 -21.825 1.811 159 2HG GLU 18 2HG GLU 18 0.229 -20.663 1.531 160 HA PRO 19 HA PRO 19 -3.692 -17.616 -2.690 161 1HB PRO 19 1HB PRO 19 -5.220 -19.858 -3.256 162 2HB PRO 19 2HB PRO 19 -3.745 -19.394 -4.109 163 1HG PRO 19 1HG PRO 19 -4.122 -21.387 -1.914 164 2HG PRO 19 2HG PRO 19 -3.086 -21.479 -3.350 165 1HD PRO 19 1HD PRO 19 -2.077 -20.913 -0.932 166 2HD PRO 19 2HD PRO 19 -1.440 -20.148 -2.402 167 H SER 20 H SER 20 -4.532 -19.472 0.119 168 HA SER 20 HA SER 20 -7.320 -18.791 0.106 169 1HB SER 20 1HB SER 20 -7.272 -19.706 2.443 170 2HB SER 20 2HB SER 20 -6.655 -20.822 1.225 171 HG SER 20 HG SER 20 -5.422 -19.913 3.389 172 H ASP 21 H ASP 21 -4.461 -17.181 0.955 173 HA ASP 21 HA ASP 21 -5.415 -15.560 3.076 174 1HB ASP 21 1HB ASP 21 -3.142 -15.216 1.116 175 2HB ASP 21 2HB ASP 21 -3.467 -14.072 2.415 176 H THR 22 H THR 22 -5.621 -13.149 2.884 177 HA THR 22 HA THR 22 -6.989 -12.407 0.384 178 HB THR 22 HB THR 22 -8.761 -11.441 1.515 179 HG1 THR 22 HG1 THR 22 -8.654 -10.702 3.601 180 1HG2 THR 22 1HG2 THR 22 -7.932 -13.660 3.368 181 2HG2 THR 22 2HG2 THR 22 -8.926 -13.817 1.920 182 3HG2 THR 22 3HG2 THR 22 -9.528 -12.914 3.310 183 H VAL 23 H VAL 23 -7.129 -10.036 0.047 184 HA VAL 23 HA VAL 23 -4.711 -8.802 -0.111 185 HB VAL 23 HB VAL 23 -7.391 -7.467 0.295 186 1HG1 VAL 23 1HG1 VAL 23 -5.943 -5.699 -1.144 187 2HG1 VAL 23 2HG1 VAL 23 -4.689 -6.368 -0.100 188 3HG1 VAL 23 3HG1 VAL 23 -6.125 -5.629 0.608 189 1HG2 VAL 23 1HG2 VAL 23 -6.335 -7.281 -2.354 190 2HG2 VAL 23 2HG2 VAL 23 -7.832 -8.036 -1.806 191 3HG2 VAL 23 3HG2 VAL 23 -6.337 -8.970 -1.847 192 H GLU 24 H GLU 24 -7.063 -8.394 2.529 193 HA GLU 24 HA GLU 24 -5.764 -6.549 4.084 194 1HB GLU 24 1HB GLU 24 -8.003 -7.956 4.417 195 2HB GLU 24 2HB GLU 24 -6.963 -8.884 5.490 196 1HG GLU 24 1HG GLU 24 -7.144 -5.906 5.715 197 2HG GLU 24 2HG GLU 24 -8.346 -6.955 6.465 198 H ASN 25 H ASN 25 -5.286 -10.073 4.117 199 HA ASN 25 HA ASN 25 -3.368 -10.190 6.135 200 1HB ASN 25 1HB ASN 25 -3.776 -11.940 3.706 201 2HB ASN 25 2HB ASN 25 -2.634 -12.320 4.992 202 1HD2 ASN 25 1HD2 ASN 25 -3.833 -11.872 7.257 203 2HD2 ASN 25 2HD2 ASN 25 -5.304 -12.764 7.417 204 H LEU 26 H LEU 26 -2.840 -10.083 2.607 205 HA LEU 26 HA LEU 26 -0.111 -10.015 2.512 206 1HB LEU 26 1HB LEU 26 -1.156 -10.030 0.440 207 2HB LEU 26 2HB LEU 26 -2.217 -8.695 0.849 208 HG LEU 26 HG LEU 26 -0.471 -7.097 0.544 209 1HD1 LEU 26 1HD1 LEU 26 1.251 -9.445 0.861 210 2HD1 LEU 26 2HD1 LEU 26 1.550 -7.752 1.256 211 3HD1 LEU 26 3HD1 LEU 26 1.764 -8.323 -0.399 212 1HD2 LEU 26 1HD2 LEU 26 0.311 -7.733 -1.823 213 2HD2 LEU 26 2HD2 LEU 26 -1.420 -7.571 -1.528 214 3HD2 LEU 26 3HD2 LEU 26 -0.685 -9.172 -1.607 215 H LYS 27 H LYS 27 -2.237 -7.175 2.847 216 HA LYS 27 HA LYS 27 -0.257 -5.239 3.096 217 1HB LYS 27 1HB LYS 27 -3.077 -5.432 4.110 218 2HB LYS 27 2HB LYS 27 -2.072 -4.053 4.540 219 1HG LYS 27 1HG LYS 27 -2.188 -3.156 2.482 220 2HG LYS 27 2HG LYS 27 -2.139 -4.727 1.678 221 1HD LYS 27 1HD LYS 27 -4.425 -5.048 1.879 222 2HD LYS 27 2HD LYS 27 -4.568 -3.904 3.216 223 1HE LYS 27 1HE LYS 27 -3.612 -2.354 1.143 224 2HE LYS 27 2HE LYS 27 -4.731 -3.458 0.343 225 1HZ LYS 27 1HZ LYS 27 -5.851 -1.453 1.079 226 2HZ LYS 27 2HZ LYS 27 -5.373 -1.735 2.676 227 3HZ LYS 27 3HZ LYS 27 -6.446 -2.799 1.916 228 H ALA 28 H ALA 28 -1.809 -7.231 5.586 229 HA ALA 28 HA ALA 28 -0.705 -6.149 7.865 230 1HB ALA 28 1HB ALA 28 -0.751 -9.099 7.776 231 2HB ALA 28 2HB ALA 28 -2.266 -8.288 7.376 232 3HB ALA 28 3HB ALA 28 -1.486 -7.985 8.929 233 H LYS 29 H LYS 29 0.741 -8.362 5.538 234 HA LYS 29 HA LYS 29 3.110 -8.886 6.998 235 1HB LYS 29 1HB LYS 29 2.706 -8.946 4.001 236 2HB LYS 29 2HB LYS 29 4.005 -9.729 4.891 237 1HG LYS 29 1HG LYS 29 1.076 -10.391 5.129 238 2HG LYS 29 2HG LYS 29 2.272 -11.311 4.212 239 1HD LYS 29 1HD LYS 29 3.189 -10.887 6.905 240 2HD LYS 29 2HD LYS 29 1.583 -11.619 6.912 241 1HE LYS 29 1HE LYS 29 2.335 -13.573 6.108 242 2HE LYS 29 2HE LYS 29 3.423 -12.790 4.962 243 1HZ LYS 29 1HZ LYS 29 4.206 -14.128 7.163 244 2HZ LYS 29 2HZ LYS 29 4.229 -12.530 7.717 245 3HZ LYS 29 3HZ LYS 29 5.139 -12.966 6.360 246 H ILE 30 H ILE 30 2.322 -6.556 4.437 247 HA ILE 30 HA ILE 30 4.856 -5.373 4.224 248 HB ILE 30 HB ILE 30 2.203 -3.984 3.828 249 1HG1 ILE 30 1HG1 ILE 30 3.796 -5.801 2.023 250 2HG1 ILE 30 2HG1 ILE 30 2.107 -5.950 2.497 251 1HG2 ILE 30 1HG2 ILE 30 3.308 -2.355 2.650 252 2HG2 ILE 30 2HG2 ILE 30 4.664 -3.411 2.251 253 3HG2 ILE 30 3HG2 ILE 30 4.514 -2.746 3.876 254 1HD1 ILE 30 1HD1 ILE 30 3.196 -4.698 0.211 255 2HD1 ILE 30 2HD1 ILE 30 2.433 -3.453 1.200 256 3HD1 ILE 30 3HD1 ILE 30 1.503 -4.858 0.679 257 H GLN 31 H GLN 31 2.465 -5.176 6.668 258 HA GLN 31 HA GLN 31 3.388 -2.664 7.764 259 1HB GLN 31 1HB GLN 31 1.019 -3.328 7.937 260 2HB GLN 31 2HB GLN 31 1.485 -4.715 8.911 261 1HG GLN 31 1HG GLN 31 2.084 -3.389 10.728 262 2HG GLN 31 2HG GLN 31 2.180 -1.928 9.749 263 1HE2 GLN 31 1HE2 GLN 31 -0.420 -4.244 9.527 264 2HE2 GLN 31 2HE2 GLN 31 -1.648 -3.226 10.190 265 H ASP 32 H ASP 32 3.916 -6.074 8.252 266 HA ASP 32 HA ASP 32 5.411 -5.632 10.705 267 1HB ASP 32 1HB ASP 32 4.014 -7.822 9.565 268 2HB ASP 32 2HB ASP 32 5.696 -8.296 9.767 269 H LYS 33 H LYS 33 6.002 -5.553 7.413 270 HA LYS 33 HA LYS 33 8.818 -6.329 7.737 271 1HB LYS 33 1HB LYS 33 6.947 -6.267 5.413 272 2HB LYS 33 2HB LYS 33 8.664 -6.045 5.111 273 1HG LYS 33 1HG LYS 33 8.086 -8.300 6.864 274 2HG LYS 33 2HG LYS 33 7.360 -8.445 5.262 275 1HD LYS 33 1HD LYS 33 9.553 -8.024 4.242 276 2HD LYS 33 2HD LYS 33 10.271 -7.905 5.850 277 1HE LYS 33 1HE LYS 33 9.576 -10.222 6.306 278 2HE LYS 33 2HE LYS 33 8.928 -10.333 4.669 279 1HZ LYS 33 1HZ LYS 33 11.014 -10.338 3.746 280 2HZ LYS 33 2HZ LYS 33 11.300 -11.194 5.176 281 3HZ LYS 33 3HZ LYS 33 11.738 -9.564 5.065 282 H GLU 34 H GLU 34 7.048 -3.948 5.749 283 HA GLU 34 HA GLU 34 9.291 -2.111 5.989 284 1HB GLU 34 1HB GLU 34 6.859 -2.273 4.261 285 2HB GLU 34 2HB GLU 34 7.644 -0.714 4.472 286 1HG GLU 34 1HG GLU 34 9.033 -3.203 3.508 287 2HG GLU 34 2HG GLU 34 8.374 -1.951 2.457 288 H GLY 35 H GLY 35 6.868 -2.808 7.974 289 1HA GLY 35 1HA GLY 35 5.788 -1.685 9.660 290 2HA GLY 35 2HA GLY 35 7.031 -0.457 9.477 291 H ILE 36 H ILE 36 4.686 -1.436 7.031 292 HA ILE 36 HA ILE 36 3.569 1.291 7.143 293 HB ILE 36 HB ILE 36 3.386 -0.513 4.747 294 1HG1 ILE 36 1HG1 ILE 36 5.582 1.491 5.314 295 2HG1 ILE 36 2HG1 ILE 36 5.775 -0.259 5.365 296 1HG2 ILE 36 1HG2 ILE 36 3.235 2.474 5.121 297 2HG2 ILE 36 2HG2 ILE 36 1.896 1.383 4.762 298 3HG2 ILE 36 3HG2 ILE 36 3.165 1.645 3.565 299 1HD1 ILE 36 1HD1 ILE 36 6.560 0.917 3.273 300 2HD1 ILE 36 2HD1 ILE 36 4.856 1.178 2.901 301 3HD1 ILE 36 3HD1 ILE 36 5.486 -0.463 3.047 302 HA PRO 37 HA PRO 37 -0.286 -0.658 8.165 303 1HB PRO 37 1HB PRO 37 -1.880 1.498 8.013 304 2HB PRO 37 2HB PRO 37 -0.686 1.317 9.303 305 1HG PRO 37 1HG PRO 37 -0.545 2.946 6.800 306 2HG PRO 37 2HG PRO 37 -0.015 3.364 8.438 307 1HD PRO 37 1HD PRO 37 1.664 2.490 6.442 308 2HD PRO 37 2HD PRO 37 2.003 2.322 8.175 309 HA PRO 38 HA PRO 38 -2.160 -1.861 4.355 310 1HB PRO 38 1HB PRO 38 -4.720 -1.826 5.863 311 2HB PRO 38 2HB PRO 38 -3.970 -3.137 4.947 312 1HG PRO 38 1HG PRO 38 -3.959 -3.150 7.614 313 2HG PRO 38 2HG PRO 38 -2.559 -3.725 6.690 314 1HD PRO 38 1HD PRO 38 -2.946 -1.141 8.141 315 2HD PRO 38 2HD PRO 38 -1.487 -2.142 7.984 316 H ASP 39 H ASP 39 -3.677 0.695 6.259 317 HA ASP 39 HA ASP 39 -5.264 1.684 4.087 318 1HB ASP 39 1HB ASP 39 -5.616 3.645 5.658 319 2HB ASP 39 2HB ASP 39 -6.122 2.071 6.265 320 H GLN 40 H GLN 40 -2.051 1.686 4.370 321 HA GLN 40 HA GLN 40 -1.790 4.318 3.073 322 1HB GLN 40 1HB GLN 40 0.065 2.973 5.030 323 2HB GLN 40 2HB GLN 40 0.596 4.279 3.980 324 1HG GLN 40 1HG GLN 40 -1.087 5.752 4.959 325 2HG GLN 40 2HG GLN 40 -1.618 4.442 6.012 326 1HE2 GLN 40 1HE2 GLN 40 -0.947 6.629 7.278 327 2HE2 GLN 40 2HE2 GLN 40 0.604 6.508 8.027 328 H GLN 41 H GLN 41 -1.805 1.143 2.454 329 HA GLN 41 HA GLN 41 0.323 1.369 0.426 330 1HB GLN 41 1HB GLN 41 -0.426 -1.368 0.934 331 2HB GLN 41 2HB GLN 41 1.157 -0.609 1.036 332 1HG GLN 41 1HG GLN 41 0.962 -0.181 3.285 333 2HG GLN 41 2HG GLN 41 -0.801 -0.222 3.246 334 1HE2 GLN 41 1HE2 GLN 41 0.528 -1.573 5.190 335 2HE2 GLN 41 2HE2 GLN 41 0.393 -3.275 4.928 336 H ARG 42 H ARG 42 -0.261 1.197 -1.635 337 HA ARG 42 HA ARG 42 -2.958 0.168 -2.232 338 1HB ARG 42 1HB ARG 42 -1.545 2.602 -3.086 339 2HB ARG 42 2HB ARG 42 -2.327 1.722 -4.392 340 1HG ARG 42 1HG ARG 42 -4.029 2.029 -2.051 341 2HG ARG 42 2HG ARG 42 -3.515 3.567 -2.747 342 1HD ARG 42 1HD ARG 42 -4.348 2.904 -4.918 343 2HD ARG 42 2HD ARG 42 -4.771 1.308 -4.299 344 HE ARG 42 HE ARG 42 -6.712 2.200 -3.513 345 1HH1 ARG 42 1HH1 ARG 42 -5.544 6.029 -3.555 346 2HH1 ARG 42 2HH1 ARG 42 -4.413 4.778 -3.950 347 1HH2 ARG 42 1HH2 ARG 42 -8.211 3.838 -2.995 348 2HH2 ARG 42 2HH2 ARG 42 -7.704 5.495 -3.012 349 H LEU 43 H LEU 43 -2.997 -1.634 -3.406 350 HA LEU 43 HA LEU 43 -0.640 -2.275 -5.052 351 1HB LEU 43 1HB LEU 43 -2.609 -4.338 -4.143 352 2HB LEU 43 2HB LEU 43 -0.930 -4.541 -4.606 353 HG LEU 43 HG LEU 43 -1.883 -3.237 -2.055 354 1HD1 LEU 43 1HD1 LEU 43 -1.945 -5.890 -2.610 355 2HD1 LEU 43 2HD1 LEU 43 -1.712 -5.209 -1.000 356 3HD1 LEU 43 3HD1 LEU 43 -0.317 -5.714 -1.954 357 1HD2 LEU 43 1HD2 LEU 43 0.553 -3.508 -1.446 358 2HD2 LEU 43 2HD2 LEU 43 0.190 -2.264 -2.641 359 3HD2 LEU 43 3HD2 LEU 43 0.855 -3.814 -3.157 360 H ILE 44 H ILE 44 -0.890 -2.532 -7.178 361 HA ILE 44 HA ILE 44 -3.621 -2.824 -8.244 362 HB ILE 44 HB ILE 44 -1.408 -1.138 -9.423 363 1HG1 ILE 44 1HG1 ILE 44 -4.087 -0.206 -8.393 364 2HG1 ILE 44 2HG1 ILE 44 -2.654 -0.258 -7.372 365 1HG2 ILE 44 1HG2 ILE 44 -3.156 -0.449 -11.047 366 2HG2 ILE 44 2HG2 ILE 44 -4.207 -1.702 -10.387 367 3HG2 ILE 44 3HG2 ILE 44 -2.695 -2.146 -11.181 368 1HD1 ILE 44 1HD1 ILE 44 -3.438 1.880 -8.828 369 2HD1 ILE 44 2HD1 ILE 44 -2.281 1.125 -9.925 370 3HD1 ILE 44 3HD1 ILE 44 -1.783 1.581 -8.296 371 H PHE 45 H PHE 45 -3.378 -5.047 -8.549 372 HA PHE 45 HA PHE 45 -1.138 -6.098 -10.025 373 1HB PHE 45 1HB PHE 45 -2.112 -7.495 -8.322 374 2HB PHE 45 2HB PHE 45 -3.705 -7.368 -9.060 375 HD1 PHE 45 HD1 PHE 45 -0.266 -8.628 -9.687 376 HD2 PHE 45 HD2 PHE 45 -4.416 -8.942 -10.617 377 HE1 PHE 45 HE1 PHE 45 0.187 -10.659 -11.009 378 HE2 PHE 45 HE2 PHE 45 -3.970 -10.973 -11.940 379 HZ PHE 45 HZ PHE 45 -1.666 -11.834 -12.137 380 H ALA 46 H ALA 46 -0.957 -6.134 -12.155 381 HA ALA 46 HA ALA 46 -1.450 -5.984 -14.373 382 1HB ALA 46 1HB ALA 46 -3.679 -7.663 -13.302 383 2HB ALA 46 2HB ALA 46 -2.318 -8.126 -14.324 384 3HB ALA 46 3HB ALA 46 -3.655 -7.197 -15.003 385 H GLY 47 H GLY 47 -2.316 -3.803 -12.610 386 1HA GLY 47 1HA GLY 47 -3.228 -1.729 -13.207 387 2HA GLY 47 2HA GLY 47 -4.111 -2.514 -14.507 388 H LYS 48 H LYS 48 -4.743 -4.493 -12.074 389 HA LYS 48 HA LYS 48 -7.277 -3.180 -11.486 390 1HB LYS 48 1HB LYS 48 -6.267 -5.956 -11.464 391 2HB LYS 48 2HB LYS 48 -7.434 -5.568 -10.207 392 1HG LYS 48 1HG LYS 48 -8.597 -4.490 -12.439 393 2HG LYS 48 2HG LYS 48 -7.816 -5.941 -13.072 394 1HD LYS 48 1HD LYS 48 -9.030 -7.352 -11.649 395 2HD LYS 48 2HD LYS 48 -9.494 -6.023 -10.584 396 1HE LYS 48 1HE LYS 48 -11.062 -5.194 -12.120 397 2HE LYS 48 2HE LYS 48 -10.380 -6.130 -13.450 398 1HZ LYS 48 1HZ LYS 48 -11.078 -8.103 -11.860 399 2HZ LYS 48 2HZ LYS 48 -12.160 -7.421 -12.967 400 3HZ LYS 48 3HZ LYS 48 -12.216 -6.964 -11.339 401 H GLN 49 H GLN 49 -7.587 -2.064 -9.684 402 HA GLN 49 HA GLN 49 -5.617 -1.960 -7.623 403 1HB GLN 49 1HB GLN 49 -7.559 -0.251 -8.492 404 2HB GLN 49 2HB GLN 49 -8.285 -0.868 -7.013 405 1HG GLN 49 1HG GLN 49 -5.870 0.812 -7.388 406 2HG GLN 49 2HG GLN 49 -7.164 0.933 -6.195 407 1HE2 GLN 49 1HE2 GLN 49 -7.241 -1.217 -4.814 408 2HE2 GLN 49 2HE2 GLN 49 -5.722 -1.651 -4.115 409 H LEU 50 H LEU 50 -5.362 -3.731 -6.398 410 HA LEU 50 HA LEU 50 -7.130 -5.699 -5.753 411 1HB LEU 50 1HB LEU 50 -5.035 -4.553 -3.906 412 2HB LEU 50 2HB LEU 50 -5.770 -6.138 -3.761 413 HG LEU 50 HG LEU 50 -3.802 -5.167 -5.807 414 1HD1 LEU 50 1HD1 LEU 50 -3.718 -6.813 -3.488 415 2HD1 LEU 50 2HD1 LEU 50 -2.403 -6.356 -4.570 416 3HD1 LEU 50 3HD1 LEU 50 -3.353 -7.806 -4.899 417 1HD2 LEU 50 1HD2 LEU 50 -5.125 -6.206 -7.330 418 2HD2 LEU 50 2HD2 LEU 50 -5.912 -7.221 -6.120 419 3HD2 LEU 50 3HD2 LEU 50 -4.297 -7.628 -6.698 420 H GLU 51 H GLU 51 -8.885 -5.928 -4.516 421 HA GLU 51 HA GLU 51 -9.743 -3.620 -2.923 422 1HB GLU 51 1HB GLU 51 -11.300 -5.982 -3.989 423 2HB GLU 51 2HB GLU 51 -11.988 -4.698 -3.003 424 1HG GLU 51 1HG GLU 51 -11.936 -3.174 -4.692 425 2HG GLU 51 2HG GLU 51 -10.550 -3.928 -5.480 426 H ASP 52 H ASP 52 -9.306 -3.719 -0.827 427 HA ASP 52 HA ASP 52 -8.446 -5.945 0.583 428 1HB ASP 52 1HB ASP 52 -8.234 -3.548 1.303 429 2HB ASP 52 2HB ASP 52 -9.931 -3.597 1.774 430 H GLY 53 H GLY 53 -9.755 -7.734 0.197 431 1HA GLY 53 1HA GLY 53 -11.650 -8.436 2.024 432 2HA GLY 53 2HA GLY 53 -12.579 -7.665 0.748 433 H ARG 54 H ARG 54 -10.547 -8.662 -1.253 434 HA ARG 54 HA ARG 54 -11.803 -11.259 -1.647 435 1HB ARG 54 1HB ARG 54 -9.829 -10.188 -3.595 436 2HB ARG 54 2HB ARG 54 -11.346 -11.028 -3.880 437 1HG ARG 54 1HG ARG 54 -10.975 -8.142 -3.116 438 2HG ARG 54 2HG ARG 54 -11.569 -8.783 -4.650 439 1HD ARG 54 1HD ARG 54 -13.257 -9.915 -2.786 440 2HD ARG 54 2HD ARG 54 -12.987 -8.290 -2.157 441 HE ARG 54 HE ARG 54 -13.592 -8.262 -4.941 442 1HH1 ARG 54 1HH1 ARG 54 -16.553 -7.923 -2.268 443 2HH1 ARG 54 2HH1 ARG 54 -15.011 -8.537 -1.773 444 1HH2 ARG 54 1HH2 ARG 54 -15.619 -7.451 -5.605 445 2HH2 ARG 54 2HH2 ARG 54 -16.899 -7.305 -4.448 446 H THR 55 H THR 55 -10.402 -13.040 -2.539 447 HA THR 55 HA THR 55 -8.110 -13.372 -0.767 448 HB THR 55 HB THR 55 -8.202 -15.747 -1.526 449 HG1 THR 55 HG1 THR 55 -9.736 -16.397 -2.921 450 1HG2 THR 55 1HG2 THR 55 -9.409 -15.485 0.426 451 2HG2 THR 55 2HG2 THR 55 -10.583 -16.211 -0.672 452 3HG2 THR 55 3HG2 THR 55 -10.634 -14.479 -0.346 453 H LEU 56 H LEU 56 -6.231 -14.674 -1.747 454 HA LEU 56 HA LEU 56 -5.057 -13.097 -3.793 455 1HB LEU 56 1HB LEU 56 -4.164 -15.769 -2.705 456 2HB LEU 56 2HB LEU 56 -3.185 -14.671 -3.657 457 HG LEU 56 HG LEU 56 -3.978 -14.503 -0.795 458 1HD1 LEU 56 1HD1 LEU 56 -1.479 -13.783 -2.320 459 2HD1 LEU 56 2HD1 LEU 56 -1.758 -15.281 -1.431 460 3HD1 LEU 56 3HD1 LEU 56 -1.668 -13.747 -0.567 461 1HD2 LEU 56 1HD2 LEU 56 -3.620 -12.151 -2.628 462 2HD2 LEU 56 2HD2 LEU 56 -3.288 -12.053 -0.899 463 3HD2 LEU 56 3HD2 LEU 56 -4.910 -12.456 -1.462 464 H SER 57 H SER 57 -6.159 -16.482 -3.731 465 HA SER 57 HA SER 57 -5.616 -17.039 -6.431 466 1HB SER 57 1HB SER 57 -6.128 -19.070 -5.632 467 2HB SER 57 2HB SER 57 -6.893 -18.364 -4.209 468 HG SER 57 HG SER 57 -8.813 -18.229 -5.331 469 H ASP 58 H ASP 58 -8.026 -15.120 -4.992 470 HA ASP 58 HA ASP 58 -10.084 -15.437 -6.930 471 1HB ASP 58 1HB ASP 58 -9.494 -13.506 -4.733 472 2HB ASP 58 2HB ASP 58 -10.664 -13.031 -5.960 473 H TYR 59 H TYR 59 -7.076 -13.850 -6.970 474 HA TYR 59 HA TYR 59 -7.896 -12.209 -9.273 475 1HB TYR 59 1HB TYR 59 -5.645 -11.871 -7.295 476 2HB TYR 59 2HB TYR 59 -5.722 -10.971 -8.805 477 HD1 TYR 59 HD1 TYR 59 -8.069 -9.758 -9.211 478 HD2 TYR 59 HD2 TYR 59 -6.513 -10.876 -5.403 479 HE1 TYR 59 HE1 TYR 59 -9.508 -8.073 -8.135 480 HE2 TYR 59 HE2 TYR 59 -7.950 -9.194 -4.315 481 HH TYR 59 HH TYR 59 -10.216 -7.212 -6.207 482 H ASN 60 H ASN 60 -7.381 -14.997 -9.514 483 HA ASN 60 HA ASN 60 -5.999 -16.540 -10.530 484 1HB ASN 60 1HB ASN 60 -5.293 -15.564 -12.864 485 2HB ASN 60 2HB ASN 60 -6.994 -15.832 -12.497 486 1HD2 ASN 60 1HD2 ASN 60 -8.316 -14.053 -12.019 487 2HD2 ASN 60 2HD2 ASN 60 -7.873 -12.451 -12.492 488 H LEU 61 H LEU 61 -4.574 -14.955 -8.608 489 HA LEU 61 HA LEU 61 -2.100 -14.055 -9.673 490 1HB LEU 61 1HB LEU 61 -3.142 -14.658 -6.941 491 2HB LEU 61 2HB LEU 61 -1.415 -14.452 -7.160 492 HG LEU 61 HG LEU 61 -3.192 -12.343 -8.269 493 1HD1 LEU 61 1HD1 LEU 61 -4.265 -12.538 -6.190 494 2HD1 LEU 61 2HD1 LEU 61 -3.098 -11.231 -5.986 495 3HD1 LEU 61 3HD1 LEU 61 -2.749 -12.836 -5.342 496 1HD2 LEU 61 1HD2 LEU 61 -0.987 -11.848 -8.660 497 2HD2 LEU 61 2HD2 LEU 61 -0.440 -12.588 -7.156 498 3HD2 LEU 61 3HD2 LEU 61 -1.246 -11.020 -7.125 499 H GLN 62 H GLN 62 -0.527 -15.253 -10.488 500 HA GLN 62 HA GLN 62 -0.403 -18.099 -9.854 501 1HB GLN 62 1HB GLN 62 0.742 -16.379 -12.026 502 2HB GLN 62 2HB GLN 62 1.437 -17.962 -11.702 503 1HG GLN 62 1HG GLN 62 -0.923 -18.873 -11.954 504 2HG GLN 62 2HG GLN 62 -1.336 -17.298 -12.630 505 1HE2 GLN 62 1HE2 GLN 62 0.254 -16.567 -14.379 506 2HE2 GLN 62 2HE2 GLN 62 0.676 -17.760 -15.557 507 H LYS 63 H LYS 63 2.133 -18.813 -10.112 508 HA LYS 63 HA LYS 63 3.315 -17.965 -7.665 509 1HB LYS 63 1HB LYS 63 3.476 -20.241 -9.043 510 2HB LYS 63 2HB LYS 63 4.919 -19.461 -9.677 511 1HG LYS 63 1HG LYS 63 5.445 -19.046 -7.150 512 2HG LYS 63 2HG LYS 63 4.326 -20.389 -6.911 513 1HD LYS 63 1HD LYS 63 6.759 -20.461 -8.693 514 2HD LYS 63 2HD LYS 63 6.683 -21.117 -7.057 515 1HE LYS 63 1HE LYS 63 5.396 -22.891 -7.681 516 2HE LYS 63 2HE LYS 63 4.608 -22.000 -8.983 517 1HZ LYS 63 1HZ LYS 63 6.282 -23.854 -9.558 518 2HZ LYS 63 2HZ LYS 63 7.462 -22.700 -9.190 519 3HZ LYS 63 3HZ LYS 63 6.345 -22.401 -10.424 520 H GLU 64 H GLU 64 4.739 -16.393 -7.289 521 HA GLU 64 HA GLU 64 6.254 -14.725 -7.604 522 1HB GLU 64 1HB GLU 64 6.816 -15.942 -10.308 523 2HB GLU 64 2HB GLU 64 7.874 -14.906 -9.360 524 1HG GLU 64 1HG GLU 64 7.906 -16.721 -7.619 525 2HG GLU 64 2HG GLU 64 7.089 -17.750 -8.796 526 H SER 65 H SER 65 4.232 -13.445 -7.722 527 HA SER 65 HA SER 65 3.717 -12.363 -10.405 528 1HB SER 65 1HB SER 65 2.044 -11.872 -7.942 529 2HB SER 65 2HB SER 65 1.584 -11.658 -9.631 530 HG SER 65 HG SER 65 1.875 -13.990 -9.819 531 H THR 66 H THR 66 3.776 -10.150 -10.797 532 HA THR 66 HA THR 66 5.405 -8.634 -8.893 533 HB THR 66 HB THR 66 4.718 -7.755 -11.686 534 HG1 THR 66 HG1 THR 66 6.481 -9.757 -10.863 535 1HG2 THR 66 1HG2 THR 66 6.178 -6.530 -9.719 536 2HG2 THR 66 2HG2 THR 66 6.284 -6.200 -11.448 537 3HG2 THR 66 3HG2 THR 66 7.413 -7.326 -10.693 538 H ILE 67 H ILE 67 4.211 -7.553 -7.457 539 HA ILE 67 HA ILE 67 1.720 -6.280 -8.340 540 HB ILE 67 HB ILE 67 2.764 -6.816 -5.559 541 1HG1 ILE 67 1HG1 ILE 67 0.254 -7.931 -6.779 542 2HG1 ILE 67 2HG1 ILE 67 1.809 -8.703 -7.075 543 1HG2 ILE 67 1HG2 ILE 67 -0.012 -6.092 -5.685 544 2HG2 ILE 67 2HG2 ILE 67 0.988 -4.819 -6.384 545 3HG2 ILE 67 3HG2 ILE 67 1.290 -5.375 -4.737 546 1HD1 ILE 67 1HD1 ILE 67 1.250 -8.139 -4.258 547 2HD1 ILE 67 2HD1 ILE 67 1.895 -9.589 -5.027 548 3HD1 ILE 67 3HD1 ILE 67 0.156 -9.295 -5.019 549 H HIS 68 H HIS 68 1.510 -4.130 -8.474 550 HA HIS 68 HA HIS 68 3.854 -2.491 -7.929 551 1HB HIS 68 1HB HIS 68 1.235 -1.679 -9.204 552 2HB HIS 68 2HB HIS 68 2.747 -0.775 -9.226 553 HD1 HIS 68 HD1 HIS 68 2.687 -0.816 -11.838 554 HD2 HIS 68 HD2 HIS 68 2.983 -4.553 -10.046 555 HE1 HIS 68 HE1 HIS 68 3.359 -2.392 -13.678 556 HE2 HIS 68 HE2 HIS 68 3.463 -4.661 -12.586 557 H LEU 69 H LEU 69 4.078 -1.496 -6.050 558 HA LEU 69 HA LEU 69 1.707 -0.975 -4.411 559 1HB LEU 69 1HB LEU 69 3.802 -2.217 -3.573 560 2HB LEU 69 2HB LEU 69 4.558 -0.636 -3.527 561 HG LEU 69 HG LEU 69 1.951 -0.894 -2.140 562 1HD1 LEU 69 1HD1 LEU 69 2.677 -2.841 -1.198 563 2HD1 LEU 69 2HD1 LEU 69 3.441 -1.679 -0.114 564 3HD1 LEU 69 3HD1 LEU 69 4.382 -2.434 -1.400 565 1HD2 LEU 69 1HD2 LEU 69 2.640 0.991 -1.189 566 2HD2 LEU 69 2HD2 LEU 69 4.016 0.965 -2.291 567 3HD2 LEU 69 3HD2 LEU 69 4.160 0.252 -0.684 568 H VAL 70 H VAL 70 0.968 1.016 -4.038 569 HA VAL 70 HA VAL 70 2.645 3.292 -4.874 570 HB VAL 70 HB VAL 70 -0.060 4.109 -4.911 571 1HG1 VAL 70 1HG1 VAL 70 2.246 3.981 -6.677 572 2HG1 VAL 70 2HG1 VAL 70 1.023 5.239 -6.500 573 3HG1 VAL 70 3HG1 VAL 70 0.716 3.850 -7.542 574 1HG2 VAL 70 1HG2 VAL 70 -0.569 1.664 -5.083 575 2HG2 VAL 70 2HG2 VAL 70 0.321 1.647 -6.605 576 3HG2 VAL 70 3HG2 VAL 70 -1.134 2.632 -6.445 577 H LEU 71 H LEU 71 2.816 5.001 -3.523 578 HA LEU 71 HA LEU 71 2.078 4.630 -0.789 579 1HB LEU 71 1HB LEU 71 4.085 5.946 -1.961 580 2HB LEU 71 2HB LEU 71 2.974 7.289 -1.768 581 HG LEU 71 HG LEU 71 4.683 6.964 0.073 582 1HD1 LEU 71 1HD1 LEU 71 2.728 8.365 0.373 583 2HD1 LEU 71 2HD1 LEU 71 3.071 7.472 1.855 584 3HD1 LEU 71 3HD1 LEU 71 1.757 6.956 0.797 585 1HD2 LEU 71 1HD2 LEU 71 4.771 5.100 1.297 586 2HD2 LEU 71 2HD2 LEU 71 3.835 4.357 0.000 587 3HD2 LEU 71 3HD2 LEU 71 3.015 4.995 1.425 588 H ARG 72 H ARG 72 -0.284 4.446 -1.396 589 HA ARG 72 HA ARG 72 -2.393 5.337 -1.701 590 1HB ARG 72 1HB ARG 72 -2.211 5.490 0.655 591 2HB ARG 72 2HB ARG 72 -1.147 6.886 0.561 592 1HG ARG 72 1HG ARG 72 -2.877 8.344 0.120 593 2HG ARG 72 2HG ARG 72 -3.926 7.072 -0.507 594 1HD ARG 72 1HD ARG 72 -4.587 6.398 1.579 595 2HD ARG 72 2HD ARG 72 -3.090 6.933 2.343 596 HE ARG 72 HE ARG 72 -4.679 9.101 1.352 597 1HH1 ARG 72 1HH1 ARG 72 -4.942 7.963 5.182 598 2HH1 ARG 72 2HH1 ARG 72 -4.215 6.907 4.016 599 1HH2 ARG 72 1HH2 ARG 72 -5.636 10.501 2.878 600 2HH2 ARG 72 2HH2 ARG 72 -5.750 10.006 4.534 601 H LEU 73 H LEU 73 -2.288 6.212 -3.786 602 HA LEU 73 HA LEU 73 -1.225 8.741 -4.416 603 1HB LEU 73 1HB LEU 73 -1.879 6.829 -5.985 604 2HB LEU 73 2HB LEU 73 -3.517 7.441 -5.866 605 HG LEU 73 HG LEU 73 -1.673 9.567 -6.539 606 1HD1 LEU 73 1HD1 LEU 73 -0.386 7.699 -7.518 607 2HD1 LEU 73 2HD1 LEU 73 -1.010 8.816 -8.732 608 3HD1 LEU 73 3HD1 LEU 73 -1.801 7.260 -8.475 609 1HD2 LEU 73 1HD2 LEU 73 -4.098 9.655 -6.826 610 2HD2 LEU 73 2HD2 LEU 73 -4.009 8.344 -8.003 611 3HD2 LEU 73 3HD2 LEU 73 -3.259 9.901 -8.358 612 H ARG 74 H ARG 74 -1.957 10.179 -2.803 613 HA ARG 74 HA ARG 74 -4.189 11.717 -3.480 614 1HB ARG 74 1HB ARG 74 -4.758 9.455 -1.748 615 2HB ARG 74 2HB ARG 74 -5.170 10.981 -0.978 616 1HG ARG 74 1HG ARG 74 -6.069 10.835 -3.739 617 2HG ARG 74 2HG ARG 74 -6.752 9.567 -2.720 618 1HD ARG 74 1HD ARG 74 -7.215 11.500 -1.057 619 2HD ARG 74 2HD ARG 74 -6.995 12.541 -2.463 620 HE ARG 74 HE ARG 74 -8.842 10.406 -2.939 621 1HH1 ARG 74 1HH1 ARG 74 -10.155 14.010 -1.790 622 2HH1 ARG 74 2HH1 ARG 74 -8.485 13.596 -1.589 623 1HH2 ARG 74 1HH2 ARG 74 -11.044 10.940 -3.209 624 2HH2 ARG 74 2HH2 ARG 74 -11.610 12.500 -2.712 625 H GLY 75 H GLY 75 -3.272 10.811 -0.177 626 1HA GLY 75 1HA GLY 75 -2.487 13.582 0.309 627 2HA GLY 75 2HA GLY 75 -2.749 12.347 1.530 628 H GLY 76 H GLY 76 -0.967 10.733 -0.585 629 1HA GLY 76 1HA GLY 76 1.606 11.780 0.409 630 2HA GLY 76 2HA GLY 76 1.224 10.069 0.532
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