NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7872 | 1l7y | 5329 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -26.540 -19.978 8.806 2 2H MET 1 2H MET 1 -25.765 -20.768 10.094 3 3H MET 1 3H MET 1 -24.866 -20.260 8.744 4 HA MET 1 HA MET 1 -26.211 -18.524 10.740 5 1HB MET 1 2HB MET 1 -23.963 -19.722 11.234 6 2HB MET 1 1HB MET 1 -23.277 -18.590 10.066 7 1HG MET 1 2HG MET 1 -24.703 -16.849 11.528 8 2HG MET 1 1HG MET 1 -24.415 -18.072 12.770 9 1HE MET 1 1HE MET 1 -22.579 -18.446 13.977 10 2HE MET 1 2HE MET 1 -20.898 -18.033 13.664 11 3HE MET 1 3HE MET 1 -21.692 -19.263 12.686 12 H SER 2 H SER 2 -26.454 -16.390 10.176 13 HA SER 2 HA SER 2 -25.833 -15.664 7.352 14 1HB SER 2 2HB SER 2 -27.662 -14.249 9.314 15 2HB SER 2 1HB SER 2 -27.552 -13.962 7.579 16 HG SER 2 HG SER 2 -28.690 -16.095 9.003 17 H GLY 3 H GLY 3 -24.125 -14.308 7.024 18 1HA GLY 3 2HA GLY 3 -22.798 -12.352 7.383 19 2HA GLY 3 1HA GLY 3 -23.543 -12.159 8.970 20 H GLY 4 H GLY 4 -22.261 -15.276 8.026 21 1HA GLY 4 2HA GLY 4 -19.946 -14.858 9.882 22 2HA GLY 4 1HA GLY 4 -20.844 -16.377 9.796 23 H THR 5 H THR 5 -19.261 -14.138 7.484 24 HA THR 5 HA THR 5 -18.360 -16.495 5.914 25 HB THR 5 HB THR 5 -17.625 -14.672 4.265 26 HG1 THR 5 HG1 THR 5 -18.665 -12.655 4.625 27 1HG2 THR 5 1HG2 THR 5 -19.572 -15.147 3.254 28 2HG2 THR 5 2HG2 THR 5 -20.460 -14.145 4.402 29 3HG2 THR 5 3HG2 THR 5 -20.146 -15.841 4.770 30 H ALA 6 H ALA 6 -16.304 -17.221 6.146 31 HA ALA 6 HA ALA 6 -14.413 -15.906 7.890 32 1HB ALA 6 1HB ALA 6 -14.161 -18.216 5.946 33 2HB ALA 6 2HB ALA 6 -14.208 -18.281 7.708 34 3HB ALA 6 3HB ALA 6 -12.791 -17.625 6.888 35 H ALA 7 H ALA 7 -14.849 -16.094 4.380 36 HA ALA 7 HA ALA 7 -12.510 -14.351 3.897 37 1HB ALA 7 1HB ALA 7 -13.129 -14.612 1.511 38 2HB ALA 7 2HB ALA 7 -14.577 -15.498 1.989 39 3HB ALA 7 3HB ALA 7 -12.981 -16.178 2.304 40 H THR 8 H THR 8 -12.736 -12.189 3.095 41 HA THR 8 HA THR 8 -15.210 -10.857 3.950 42 HB THR 8 HB THR 8 -12.701 -9.708 2.679 43 HG1 THR 8 HG1 THR 8 -12.028 -10.287 4.606 44 1HG2 THR 8 1HG2 THR 8 -14.368 -8.081 2.351 45 2HG2 THR 8 2HG2 THR 8 -13.655 -7.612 3.895 46 3HG2 THR 8 3HG2 THR 8 -15.189 -8.483 3.859 47 H THR 9 H THR 9 -16.922 -10.891 2.598 48 HA THR 9 HA THR 9 -16.453 -10.383 -0.318 49 HB THR 9 HB THR 9 -18.630 -12.130 0.889 50 HG1 THR 9 HG1 THR 9 -16.911 -13.387 0.987 51 1HG2 THR 9 1HG2 THR 9 -19.446 -11.198 -1.144 52 2HG2 THR 9 2HG2 THR 9 -18.849 -12.800 -1.576 53 3HG2 THR 9 3HG2 THR 9 -17.882 -11.370 -1.940 54 H ALA 10 H ALA 10 -17.169 -8.338 -0.676 55 HA ALA 10 HA ALA 10 -19.462 -7.300 0.916 56 1HB ALA 10 1HB ALA 10 -18.760 -5.083 -0.032 57 2HB ALA 10 2HB ALA 10 -17.428 -5.903 -0.846 58 3HB ALA 10 3HB ALA 10 -17.501 -5.875 0.916 59 H GLY 11 H GLY 11 -18.669 -8.398 -2.286 60 1HA GLY 11 2HA GLY 11 -20.969 -8.889 -3.464 61 2HA GLY 11 1HA GLY 11 -21.105 -7.131 -3.434 62 H SER 12 H SER 12 -19.683 -5.881 -4.745 63 HA SER 12 HA SER 12 -18.514 -7.401 -7.016 64 1HB SER 12 2HB SER 12 -19.847 -4.848 -6.730 65 2HB SER 12 1HB SER 12 -18.260 -4.614 -7.460 66 HG SER 12 HG SER 12 -19.348 -5.206 -9.186 67 H LYS 13 H LYS 13 -16.542 -8.118 -6.133 68 HA LYS 13 HA LYS 13 -14.512 -5.985 -5.714 69 1HB LYS 13 2HB LYS 13 -13.605 -7.400 -3.763 70 2HB LYS 13 1HB LYS 13 -15.056 -6.449 -3.451 71 1HG LYS 13 2HG LYS 13 -16.312 -8.298 -3.093 72 2HG LYS 13 1HG LYS 13 -15.672 -9.103 -4.525 73 1HD LYS 13 2HD LYS 13 -13.651 -8.890 -2.442 74 2HD LYS 13 1HD LYS 13 -15.085 -9.738 -1.865 75 1HE LYS 13 2HE LYS 13 -14.216 -10.515 -4.578 76 2HE LYS 13 1HE LYS 13 -13.074 -10.922 -3.298 77 1HZ LYS 13 1HZ LYS 13 -14.963 -11.939 -2.084 78 2HZ LYS 13 2HZ LYS 13 -14.591 -12.717 -3.548 79 3HZ LYS 13 3HZ LYS 13 -15.937 -11.685 -3.450 80 H VAL 14 H VAL 14 -12.308 -6.750 -5.983 81 HA VAL 14 HA VAL 14 -12.148 -9.204 -7.684 82 HB VAL 14 HB VAL 14 -10.027 -8.161 -8.557 83 1HG1 VAL 14 1HG1 VAL 14 -11.515 -6.041 -9.463 84 2HG1 VAL 14 2HG1 VAL 14 -12.773 -7.146 -8.910 85 3HG1 VAL 14 3HG1 VAL 14 -11.604 -7.676 -10.118 86 1HG2 VAL 14 1HG2 VAL 14 -9.164 -6.295 -7.624 87 2HG2 VAL 14 2HG2 VAL 14 -10.343 -6.480 -6.329 88 3HG2 VAL 14 3HG2 VAL 14 -10.712 -5.460 -7.717 89 H THR 15 H THR 15 -10.675 -10.819 -7.150 90 HA THR 15 HA THR 15 -9.392 -10.567 -4.474 91 HB THR 15 HB THR 15 -9.784 -13.054 -6.170 92 HG1 THR 15 HG1 THR 15 -11.762 -12.892 -5.524 93 1HG2 THR 15 1HG2 THR 15 -8.056 -13.462 -4.588 94 2HG2 THR 15 2HG2 THR 15 -9.517 -14.112 -3.844 95 3HG2 THR 15 3HG2 THR 15 -8.887 -12.548 -3.330 96 H PHE 16 H PHE 16 -7.191 -10.616 -4.223 97 HA PHE 16 HA PHE 16 -5.530 -10.900 -6.701 98 1HB PHE 16 2HB PHE 16 -5.121 -9.193 -4.233 99 2HB PHE 16 1HB PHE 16 -3.892 -9.418 -5.475 100 HD1 PHE 16 HD1 PHE 16 -4.953 -9.142 -7.992 101 HD2 PHE 16 HD2 PHE 16 -6.375 -7.243 -4.410 102 HE1 PHE 16 HE1 PHE 16 -5.995 -7.351 -9.354 103 HE2 PHE 16 HE2 PHE 16 -7.416 -5.454 -5.774 104 HZ PHE 16 HZ PHE 16 -7.223 -5.508 -8.243 105 H LYS 17 H LYS 17 -3.620 -12.118 -6.553 106 HA LYS 17 HA LYS 17 -3.152 -13.591 -3.990 107 1HB LYS 17 2HB LYS 17 -4.289 -14.892 -5.962 108 2HB LYS 17 1HB LYS 17 -2.676 -14.872 -6.675 109 1HG LYS 17 2HG LYS 17 -2.369 -15.621 -3.944 110 2HG LYS 17 1HG LYS 17 -3.684 -16.593 -4.608 111 1HD LYS 17 2HD LYS 17 -2.208 -17.164 -6.551 112 2HD LYS 17 1HD LYS 17 -0.889 -16.310 -5.746 113 1HE LYS 17 2HE LYS 17 -1.342 -17.833 -3.728 114 2HE LYS 17 1HE LYS 17 -2.316 -18.810 -4.825 115 1HZ LYS 17 1HZ LYS 17 -0.476 -19.281 -6.151 116 2HZ LYS 17 2HZ LYS 17 0.105 -19.440 -4.564 117 3HZ LYS 17 3HZ LYS 17 0.466 -18.049 -5.471 118 H ILE 18 H ILE 18 -1.239 -12.702 -3.292 119 HA ILE 18 HA ILE 18 0.932 -12.299 -5.314 120 HB ILE 18 HB ILE 18 0.638 -10.955 -2.609 121 1HG1 ILE 18 2HG1 ILE 18 0.346 -9.025 -4.578 122 2HG1 ILE 18 1HG1 ILE 18 -0.566 -10.387 -5.230 123 1HG2 ILE 18 1HG2 ILE 18 2.277 -9.349 -3.865 124 2HG2 ILE 18 2HG2 ILE 18 2.571 -10.743 -4.905 125 3HG2 ILE 18 3HG2 ILE 18 2.910 -10.844 -3.178 126 1HD1 ILE 18 1HD1 ILE 18 -1.500 -10.509 -2.745 127 2HD1 ILE 18 2HD1 ILE 18 -2.201 -9.399 -3.921 128 3HD1 ILE 18 3HD1 ILE 18 -1.040 -8.808 -2.733 129 H THR 19 H THR 19 2.793 -13.426 -5.066 130 HA THR 19 HA THR 19 3.292 -14.829 -2.467 131 HB THR 19 HB THR 19 4.441 -16.600 -3.950 132 HG1 THR 19 HG1 THR 19 4.332 -16.282 -6.003 133 1HG2 THR 19 1HG2 THR 19 2.492 -17.333 -2.899 134 2HG2 THR 19 2HG2 THR 19 2.093 -17.551 -4.602 135 3HG2 THR 19 3HG2 THR 19 1.481 -16.148 -3.726 136 H LEU 20 H LEU 20 5.598 -15.130 -1.978 137 HA LEU 20 HA LEU 20 7.201 -12.859 -2.876 138 1HB LEU 20 2HB LEU 20 7.238 -14.687 -0.664 139 2HB LEU 20 1HB LEU 20 8.821 -14.713 -1.439 140 HG LEU 20 HG LEU 20 7.377 -12.153 -0.705 141 1HD1 LEU 20 1HD1 LEU 20 8.653 -12.051 1.301 142 2HD1 LEU 20 2HD1 LEU 20 9.676 -13.401 0.809 143 3HD1 LEU 20 3HD1 LEU 20 7.995 -13.686 1.260 144 1HD2 LEU 20 1HD2 LEU 20 9.305 -11.055 -1.377 145 2HD2 LEU 20 2HD2 LEU 20 9.343 -12.424 -2.488 146 3HD2 LEU 20 3HD2 LEU 20 10.339 -12.440 -1.034 147 H THR 21 H THR 21 8.316 -12.889 -4.742 148 HA THR 21 HA THR 21 9.117 -15.493 -5.928 149 HB THR 21 HB THR 21 7.867 -13.837 -7.327 150 HG1 THR 21 HG1 THR 21 8.991 -14.450 -9.008 151 1HG2 THR 21 1HG2 THR 21 9.129 -11.861 -6.199 152 2HG2 THR 21 2HG2 THR 21 8.768 -11.747 -7.922 153 3HG2 THR 21 3HG2 THR 21 10.389 -12.190 -7.388 154 H SER 22 H SER 22 10.510 -12.558 -4.552 155 HA SER 22 HA SER 22 13.219 -13.100 -5.478 156 1HB SER 22 2HB SER 22 13.834 -11.324 -3.801 157 2HB SER 22 1HB SER 22 12.621 -10.812 -4.969 158 HG SER 22 HG SER 22 12.349 -10.531 -2.494 159 H ASP 23 H ASP 23 11.419 -13.679 -2.461 160 HA ASP 23 HA ASP 23 13.756 -14.872 -1.140 161 1HB ASP 23 2HB ASP 23 10.900 -14.325 -0.403 162 2HB ASP 23 1HB ASP 23 11.798 -15.520 0.531 163 HA PRO 24 HA PRO 24 13.017 -19.072 -2.213 164 1HB PRO 24 2HB PRO 24 13.589 -20.351 0.159 165 2HB PRO 24 1HB PRO 24 14.823 -19.659 -0.908 166 1HG PRO 24 2HG PRO 24 13.777 -18.612 1.685 167 2HG PRO 24 1HG PRO 24 15.370 -18.383 0.942 168 1HD PRO 24 2HD PRO 24 13.285 -16.489 0.949 169 2HD PRO 24 1HD PRO 24 14.711 -16.450 -0.110 170 H LYS 25 H LYS 25 11.373 -17.885 0.693 171 HA LYS 25 HA LYS 25 9.436 -20.073 0.787 172 1HB LYS 25 2HB LYS 25 10.184 -17.852 2.447 173 2HB LYS 25 1HB LYS 25 8.451 -17.760 2.137 174 1HG LYS 25 2HG LYS 25 8.174 -19.330 3.723 175 2HG LYS 25 1HG LYS 25 8.943 -20.477 2.623 176 1HD LYS 25 2HD LYS 25 11.142 -19.247 3.618 177 2HD LYS 25 1HD LYS 25 10.060 -19.096 5.003 178 1HE LYS 25 2HE LYS 25 9.559 -21.639 4.499 179 2HE LYS 25 1HE LYS 25 11.126 -21.574 3.692 180 1HZ LYS 25 1HZ LYS 25 10.591 -20.771 6.501 181 2HZ LYS 25 2HZ LYS 25 12.100 -20.711 5.720 182 3HZ LYS 25 3HZ LYS 25 11.349 -22.206 6.012 183 H LEU 26 H LEU 26 7.138 -19.801 0.319 184 HA LEU 26 HA LEU 26 6.487 -17.515 -1.482 185 1HB LEU 26 2HB LEU 26 6.686 -20.333 -2.203 186 2HB LEU 26 1HB LEU 26 5.073 -19.698 -2.526 187 HG LEU 26 HG LEU 26 6.759 -17.663 -3.402 188 1HD1 LEU 26 1HD1 LEU 26 8.486 -19.706 -3.146 189 2HD1 LEU 26 2HD1 LEU 26 8.605 -18.537 -4.461 190 3HD1 LEU 26 3HD1 LEU 26 7.838 -20.101 -4.738 191 1HD2 LEU 26 1HD2 LEU 26 4.687 -18.480 -4.481 192 2HD2 LEU 26 2HD2 LEU 26 5.532 -19.943 -4.989 193 3HD2 LEU 26 3HD2 LEU 26 6.010 -18.375 -5.642 194 HA PRO 27 HA PRO 27 3.218 -18.301 1.722 195 1HB PRO 27 2HB PRO 27 3.352 -15.791 2.851 196 2HB PRO 27 1HB PRO 27 4.315 -17.169 3.411 197 1HG PRO 27 2HG PRO 27 5.176 -14.803 1.817 198 2HG PRO 27 1HG PRO 27 6.128 -15.834 2.896 199 1HD PRO 27 2HD PRO 27 6.124 -15.956 0.068 200 2HD PRO 27 1HD PRO 27 6.800 -17.176 1.168 201 H PHE 28 H PHE 28 1.650 -18.298 0.036 202 HA PHE 28 HA PHE 28 1.039 -16.150 -1.693 203 1HB PHE 28 2HB PHE 28 -1.090 -17.248 -2.113 204 2HB PHE 28 1HB PHE 28 0.175 -18.464 -1.984 205 HD1 PHE 28 HD1 PHE 28 0.315 -19.934 -0.004 206 HD2 PHE 28 HD2 PHE 28 -2.815 -17.021 -0.415 207 HE1 PHE 28 HE1 PHE 28 -0.959 -21.047 1.809 208 HE2 PHE 28 HE2 PHE 28 -4.087 -18.133 1.399 209 HZ PHE 28 HZ PHE 28 -3.160 -20.145 2.511 210 H LYS 29 H LYS 29 -0.494 -14.500 -1.632 211 HA LYS 29 HA LYS 29 -1.661 -13.865 1.049 212 1HB LYS 29 2HB LYS 29 0.423 -12.481 -0.083 213 2HB LYS 29 1HB LYS 29 -0.963 -11.573 -0.685 214 1HG LYS 29 2HG LYS 29 -0.849 -12.334 2.219 215 2HG LYS 29 1HG LYS 29 0.084 -10.951 1.646 216 1HD LYS 29 2HD LYS 29 -1.933 -9.912 0.745 217 2HD LYS 29 1HD LYS 29 -2.892 -11.322 1.193 218 1HE LYS 29 2HE LYS 29 -2.050 -10.885 3.600 219 2HE LYS 29 1HE LYS 29 -1.588 -9.293 3.002 220 1HZ LYS 29 1HZ LYS 29 -4.299 -10.491 3.004 221 2HZ LYS 29 2HZ LYS 29 -3.907 -9.050 2.195 222 3HZ LYS 29 3HZ LYS 29 -3.771 -9.142 3.885 223 H VAL 30 H VAL 30 -3.848 -13.827 0.863 224 HA VAL 30 HA VAL 30 -5.052 -13.331 -1.812 225 HB VAL 30 HB VAL 30 -6.349 -14.337 0.744 226 1HG1 VAL 30 1HG1 VAL 30 -7.507 -13.276 -1.575 227 2HG1 VAL 30 2HG1 VAL 30 -8.316 -14.270 -0.363 228 3HG1 VAL 30 3HG1 VAL 30 -7.609 -15.022 -1.793 229 1HG2 VAL 30 1HG2 VAL 30 -5.263 -15.785 -1.690 230 2HG2 VAL 30 2HG2 VAL 30 -6.322 -16.538 -0.497 231 3HG2 VAL 30 3HG2 VAL 30 -4.725 -15.962 -0.019 232 H LEU 31 H LEU 31 -5.687 -11.289 -2.229 233 HA LEU 31 HA LEU 31 -6.577 -9.575 0.057 234 1HB LEU 31 2HB LEU 31 -4.657 -9.120 -2.076 235 2HB LEU 31 1HB LEU 31 -5.929 -7.900 -2.104 236 HG LEU 31 HG LEU 31 -4.921 -8.556 0.593 237 1HD1 LEU 31 1HD1 LEU 31 -2.808 -8.697 -0.619 238 2HD1 LEU 31 2HD1 LEU 31 -2.862 -7.178 0.275 239 3HD1 LEU 31 3HD1 LEU 31 -3.158 -7.190 -1.463 240 1HD2 LEU 31 1HD2 LEU 31 -4.976 -5.836 -0.678 241 2HD2 LEU 31 2HD2 LEU 31 -5.380 -6.305 0.974 242 3HD2 LEU 31 3HD2 LEU 31 -6.504 -6.648 -0.340 243 H SER 32 H SER 32 -8.787 -9.685 -0.015 244 HA SER 32 HA SER 32 -10.149 -9.507 -2.659 245 1HB SER 32 2HB SER 32 -10.910 -10.545 0.036 246 2HB SER 32 1HB SER 32 -12.194 -9.875 -0.967 247 HG SER 32 HG SER 32 -11.006 -12.246 -1.151 248 H VAL 33 H VAL 33 -10.188 -7.353 -3.195 249 HA VAL 33 HA VAL 33 -11.629 -5.529 -1.322 250 HB VAL 33 HB VAL 33 -10.077 -3.679 -2.108 251 1HG1 VAL 33 1HG1 VAL 33 -8.405 -4.172 -0.466 252 2HG1 VAL 33 2HG1 VAL 33 -8.634 -5.910 -0.659 253 3HG1 VAL 33 3HG1 VAL 33 -9.892 -4.932 0.099 254 1HG2 VAL 33 1HG2 VAL 33 -8.311 -5.992 -2.963 255 2HG2 VAL 33 2HG2 VAL 33 -7.966 -4.269 -3.117 256 3HG2 VAL 33 3HG2 VAL 33 -9.235 -5.006 -4.096 257 HA PRO 34 HA PRO 34 -13.948 -4.440 -4.889 258 1HB PRO 34 2HB PRO 34 -14.612 -1.841 -4.268 259 2HB PRO 34 1HB PRO 34 -15.362 -3.258 -3.513 260 1HG PRO 34 2HG PRO 34 -13.317 -1.390 -2.391 261 2HG PRO 34 1HG PRO 34 -14.557 -2.336 -1.548 262 1HD PRO 34 2HD PRO 34 -11.829 -3.005 -1.694 263 2HD PRO 34 1HD PRO 34 -13.139 -4.118 -1.244 264 H GLU 35 H GLU 35 -13.937 -3.033 -6.808 265 HA GLU 35 HA GLU 35 -11.359 -2.445 -7.826 266 1HB GLU 35 2HB GLU 35 -12.565 -1.214 -9.639 267 2HB GLU 35 1HB GLU 35 -13.229 -2.817 -9.331 268 1HG GLU 35 2HG GLU 35 -14.476 -0.761 -7.661 269 2HG GLU 35 1HG GLU 35 -14.674 -0.438 -9.382 270 H SER 36 H SER 36 -13.507 -0.460 -5.890 271 HA SER 36 HA SER 36 -12.459 2.121 -6.500 272 1HB SER 36 2HB SER 36 -14.291 1.024 -4.637 273 2HB SER 36 1HB SER 36 -13.092 1.900 -3.691 274 HG SER 36 HG SER 36 -14.894 3.177 -4.492 275 H THR 37 H THR 37 -11.385 -0.354 -4.163 276 HA THR 37 HA THR 37 -9.312 1.213 -2.947 277 HB THR 37 HB THR 37 -9.531 -1.797 -3.300 278 HG1 THR 37 HG1 THR 37 -11.187 -1.156 -2.058 279 1HG2 THR 37 1HG2 THR 37 -7.221 -0.735 -2.736 280 2HG2 THR 37 2HG2 THR 37 -7.810 -2.052 -1.721 281 3HG2 THR 37 3HG2 THR 37 -7.944 -0.383 -1.167 282 HA PRO 38 HA PRO 38 -6.570 1.242 -6.454 283 1HB PRO 38 2HB PRO 38 -4.593 2.698 -5.217 284 2HB PRO 38 1HB PRO 38 -6.071 3.415 -5.880 285 1HG PRO 38 2HG PRO 38 -5.339 2.921 -3.032 286 2HG PRO 38 1HG PRO 38 -6.426 4.140 -3.715 287 1HD PRO 38 2HD PRO 38 -7.218 1.736 -2.452 288 2HD PRO 38 1HD PRO 38 -8.259 2.794 -3.429 289 H PHE 39 H PHE 39 -4.313 0.510 -6.922 290 HA PHE 39 HA PHE 39 -3.673 -1.955 -5.591 291 1HB PHE 39 2HB PHE 39 -3.082 -1.052 -8.019 292 2HB PHE 39 1HB PHE 39 -1.606 -0.523 -7.214 293 HD1 PHE 39 HD1 PHE 39 -3.788 -3.554 -6.780 294 HD2 PHE 39 HD2 PHE 39 0.118 -2.021 -7.707 295 HE1 PHE 39 HE1 PHE 39 -2.902 -5.867 -6.883 296 HE2 PHE 39 HE2 PHE 39 0.998 -4.332 -7.810 297 HZ PHE 39 HZ PHE 39 -0.509 -6.257 -7.396 298 H THR 40 H THR 40 -2.852 1.335 -4.873 299 HA THR 40 HA THR 40 -0.350 0.969 -3.530 300 HB THR 40 HB THR 40 -1.512 2.954 -2.061 301 HG1 THR 40 HG1 THR 40 -3.224 3.696 -2.994 302 1HG2 THR 40 1HG2 THR 40 -0.461 4.506 -3.603 303 2HG2 THR 40 2HG2 THR 40 -0.479 3.296 -4.883 304 3HG2 THR 40 3HG2 THR 40 0.545 3.064 -3.467 305 H ALA 41 H ALA 41 -3.717 0.842 -2.350 306 HA ALA 41 HA ALA 41 -2.995 0.094 0.353 307 1HB ALA 41 1HB ALA 41 -5.610 -0.245 -1.153 308 2HB ALA 41 2HB ALA 41 -5.167 1.137 -0.152 309 3HB ALA 41 3HB ALA 41 -5.406 -0.446 0.587 310 H VAL 42 H VAL 42 -3.927 -1.711 -2.580 311 HA VAL 42 HA VAL 42 -4.121 -4.303 -1.400 312 HB VAL 42 HB VAL 42 -3.227 -3.509 -4.195 313 1HG1 VAL 42 1HG1 VAL 42 -2.548 -5.719 -4.118 314 2HG1 VAL 42 2HG1 VAL 42 -4.242 -5.946 -4.550 315 3HG1 VAL 42 3HG1 VAL 42 -3.723 -6.150 -2.877 316 1HG2 VAL 42 1HG2 VAL 42 -5.714 -4.517 -4.476 317 2HG2 VAL 42 2HG2 VAL 42 -5.421 -2.807 -4.167 318 3HG2 VAL 42 3HG2 VAL 42 -5.858 -3.881 -2.838 319 H LEU 43 H LEU 43 -1.312 -2.687 -2.937 320 HA LEU 43 HA LEU 43 0.582 -4.770 -2.431 321 1HB LEU 43 2HB LEU 43 1.270 -3.135 -3.991 322 2HB LEU 43 1HB LEU 43 0.810 -1.802 -2.935 323 HG LEU 43 HG LEU 43 2.650 -2.479 -1.368 324 1HD1 LEU 43 1HD1 LEU 43 4.341 -4.057 -2.130 325 2HD1 LEU 43 2HD1 LEU 43 3.484 -4.289 -3.651 326 3HD1 LEU 43 3HD1 LEU 43 2.770 -4.858 -2.144 327 1HD2 LEU 43 1HD2 LEU 43 4.523 -1.867 -3.107 328 2HD2 LEU 43 2HD2 LEU 43 3.266 -0.687 -2.738 329 3HD2 LEU 43 3HD2 LEU 43 3.166 -1.651 -4.211 330 H LYS 44 H LYS 44 -0.581 -2.084 -0.439 331 HA LYS 44 HA LYS 44 1.373 -2.234 1.643 332 1HB LYS 44 2HB LYS 44 -1.238 -0.986 1.219 333 2HB LYS 44 1HB LYS 44 -1.025 -1.517 2.885 334 1HG LYS 44 2HG LYS 44 1.369 -0.388 2.563 335 2HG LYS 44 1HG LYS 44 0.499 0.536 1.338 336 1HD LYS 44 2HD LYS 44 -0.418 1.817 2.944 337 2HD LYS 44 1HD LYS 44 -1.153 0.387 3.665 338 1HE LYS 44 2HE LYS 44 0.177 0.811 5.446 339 2HE LYS 44 1HE LYS 44 1.485 0.165 4.454 340 1HZ LYS 44 1HZ LYS 44 1.118 2.808 3.681 341 2HZ LYS 44 2HZ LYS 44 2.430 2.157 4.538 342 3HZ LYS 44 3HZ LYS 44 1.101 2.809 5.375 343 H PHE 45 H PHE 45 -1.906 -3.695 1.481 344 HA PHE 45 HA PHE 45 -1.722 -5.200 3.883 345 1HB PHE 45 2HB PHE 45 -3.337 -5.495 1.360 346 2HB PHE 45 1HB PHE 45 -3.416 -6.739 2.606 347 HD1 PHE 45 HD1 PHE 45 -4.609 -3.519 1.571 348 HD2 PHE 45 HD2 PHE 45 -3.912 -5.969 5.031 349 HE1 PHE 45 HE1 PHE 45 -6.161 -2.103 2.888 350 HE2 PHE 45 HE2 PHE 45 -5.467 -4.552 6.344 351 HZ PHE 45 HZ PHE 45 -6.590 -2.620 5.273 352 H ALA 46 H ALA 46 -0.773 -6.064 0.550 353 HA ALA 46 HA ALA 46 -0.027 -8.778 1.123 354 1HB ALA 46 1HB ALA 46 0.416 -6.843 -1.083 355 2HB ALA 46 2HB ALA 46 -0.075 -8.536 -1.152 356 3HB ALA 46 3HB ALA 46 1.625 -8.117 -0.938 357 H ALA 47 H ALA 47 1.918 -5.774 0.952 358 HA ALA 47 HA ALA 47 4.422 -6.926 1.673 359 1HB ALA 47 1HB ALA 47 5.121 -4.798 1.425 360 2HB ALA 47 2HB ALA 47 4.117 -4.261 2.773 361 3HB ALA 47 3HB ALA 47 3.443 -4.338 1.144 362 H GLU 48 H GLU 48 1.685 -5.861 3.649 363 HA GLU 48 HA GLU 48 2.960 -5.850 6.201 364 1HB GLU 48 2HB GLU 48 0.233 -5.826 5.173 365 2HB GLU 48 1HB GLU 48 0.359 -6.813 6.628 366 1HG GLU 48 2HG GLU 48 0.338 -4.914 7.838 367 2HG GLU 48 1HG GLU 48 1.911 -4.519 7.148 368 H GLU 49 H GLU 49 1.353 -8.485 4.399 369 HA GLU 49 HA GLU 49 1.817 -10.503 6.424 370 1HB GLU 49 2HB GLU 49 0.071 -10.742 4.682 371 2HB GLU 49 1HB GLU 49 1.321 -10.809 3.441 372 1HG GLU 49 2HG GLU 49 1.861 -12.724 5.565 373 2HG GLU 49 1HG GLU 49 0.262 -12.983 4.870 374 H PHE 50 H PHE 50 3.562 -9.469 3.499 375 HA PHE 50 HA PHE 50 5.598 -11.528 3.672 376 1HB PHE 50 2HB PHE 50 5.384 -8.922 2.162 377 2HB PHE 50 1HB PHE 50 6.818 -9.940 2.069 378 HD1 PHE 50 HD1 PHE 50 3.770 -9.245 0.522 379 HD2 PHE 50 HD2 PHE 50 6.207 -12.571 1.725 380 HE1 PHE 50 HE1 PHE 50 2.628 -10.683 -1.142 381 HE2 PHE 50 HE2 PHE 50 5.065 -14.008 0.057 382 HZ PHE 50 HZ PHE 50 3.277 -13.064 -1.374 383 H LYS 51 H LYS 51 5.074 -8.685 5.490 384 HA LYS 51 HA LYS 51 6.344 -7.649 7.152 385 1HB LYS 51 2HB LYS 51 7.398 -10.313 6.952 386 2HB LYS 51 1HB LYS 51 8.741 -9.197 7.195 387 1HG LYS 51 2HG LYS 51 8.181 -8.937 9.356 388 2HG LYS 51 1HG LYS 51 6.556 -8.423 8.902 389 1HD LYS 51 2HD LYS 51 5.765 -10.701 8.858 390 2HD LYS 51 1HD LYS 51 7.404 -11.332 9.031 391 1HE LYS 51 2HE LYS 51 7.530 -10.121 11.254 392 2HE LYS 51 1HE LYS 51 5.809 -9.779 11.085 393 1HZ LYS 51 1HZ LYS 51 6.635 -11.899 12.335 394 2HZ LYS 51 2HZ LYS 51 6.734 -12.543 10.765 395 3HZ LYS 51 3HZ LYS 51 5.251 -11.960 11.357 396 H VAL 52 H VAL 52 6.537 -6.720 4.483 397 HA VAL 52 HA VAL 52 9.305 -5.590 4.506 398 HB VAL 52 HB VAL 52 9.253 -5.642 1.991 399 1HG1 VAL 52 1HG1 VAL 52 10.004 -7.606 3.751 400 2HG1 VAL 52 2HG1 VAL 52 10.324 -7.642 2.017 401 3HG1 VAL 52 3HG1 VAL 52 8.925 -8.490 2.672 402 1HG2 VAL 52 1HG2 VAL 52 6.680 -7.089 2.580 403 2HG2 VAL 52 2HG2 VAL 52 7.602 -7.492 1.133 404 3HG2 VAL 52 3HG2 VAL 52 7.005 -5.850 1.369 405 HA PRO 53 HA PRO 53 7.265 -1.724 4.015 406 1HB PRO 53 2HB PRO 53 9.172 -0.325 2.610 407 2HB PRO 53 1HB PRO 53 9.288 -0.697 4.337 408 1HG PRO 53 2HG PRO 53 10.740 -1.941 2.046 409 2HG PRO 53 1HG PRO 53 11.239 -1.790 3.739 410 1HD PRO 53 2HD PRO 53 10.218 -4.126 2.528 411 2HD PRO 53 1HD PRO 53 10.372 -3.845 4.275 412 H ALA 54 H ALA 54 5.614 -1.258 2.667 413 HA ALA 54 HA ALA 54 5.512 -2.202 -0.081 414 1HB ALA 54 1HB ALA 54 3.310 -1.994 0.328 415 2HB ALA 54 2HB ALA 54 3.490 -0.241 0.394 416 3HB ALA 54 3HB ALA 54 3.664 -1.201 1.862 417 H ALA 55 H ALA 55 6.264 0.878 1.469 418 HA ALA 55 HA ALA 55 5.996 2.602 -0.783 419 1HB ALA 55 1HB ALA 55 8.196 2.986 1.230 420 2HB ALA 55 2HB ALA 55 6.514 3.126 1.739 421 3HB ALA 55 3HB ALA 55 7.147 4.192 0.486 422 H THR 56 H THR 56 8.731 0.571 0.280 423 HA THR 56 HA THR 56 10.171 1.315 -2.232 424 HB THR 56 HB THR 56 12.171 0.290 -1.063 425 HG1 THR 56 HG1 THR 56 11.832 -0.680 0.748 426 1HG2 THR 56 1HG2 THR 56 11.780 2.261 0.880 427 2HG2 THR 56 2HG2 THR 56 10.787 2.781 -0.480 428 3HG2 THR 56 3HG2 THR 56 12.510 2.487 -0.708 429 H SER 57 H SER 57 7.951 -0.585 -2.207 430 HA SER 57 HA SER 57 9.433 -2.990 -3.164 431 1HB SER 57 2HB SER 57 8.487 -3.511 -0.945 432 2HB SER 57 1HB SER 57 6.890 -3.029 -1.507 433 HG SER 57 HG SER 57 8.077 -5.387 -1.736 434 H ALA 58 H ALA 58 8.497 -4.013 -4.951 435 HA ALA 58 HA ALA 58 6.217 -2.549 -6.231 436 1HB ALA 58 1HB ALA 58 8.624 -2.510 -7.280 437 2HB ALA 58 2HB ALA 58 7.232 -2.789 -8.324 438 3HB ALA 58 3HB ALA 58 8.226 -4.147 -7.798 439 H ILE 59 H ILE 59 5.016 -4.015 -7.843 440 HA ILE 59 HA ILE 59 4.818 -6.791 -6.735 441 HB ILE 59 HB ILE 59 2.642 -4.896 -7.649 442 1HG1 ILE 59 2HG1 ILE 59 3.437 -4.721 -5.296 443 2HG1 ILE 59 1HG1 ILE 59 1.760 -5.251 -5.400 444 1HG2 ILE 59 1HG2 ILE 59 1.641 -6.754 -8.490 445 2HG2 ILE 59 2HG2 ILE 59 1.333 -7.147 -6.798 446 3HG2 ILE 59 3HG2 ILE 59 2.724 -7.846 -7.627 447 1HD1 ILE 59 1HD1 ILE 59 3.045 -7.656 -5.449 448 2HD1 ILE 59 2HD1 ILE 59 2.456 -6.892 -3.974 449 3HD1 ILE 59 3HD1 ILE 59 4.147 -6.720 -4.442 450 H ILE 60 H ILE 60 5.592 -8.164 -8.278 451 HA ILE 60 HA ILE 60 5.202 -7.453 -11.141 452 HB ILE 60 HB ILE 60 6.823 -9.259 -11.613 453 1HG1 ILE 60 2HG1 ILE 60 7.739 -9.649 -8.880 454 2HG1 ILE 60 1HG1 ILE 60 6.067 -10.177 -9.065 455 1HG2 ILE 60 1HG2 ILE 60 7.830 -7.134 -11.320 456 2HG2 ILE 60 2HG2 ILE 60 8.779 -8.218 -10.304 457 3HG2 ILE 60 3HG2 ILE 60 7.571 -7.159 -9.577 458 1HD1 ILE 60 1HD1 ILE 60 8.542 -11.277 -10.277 459 2HD1 ILE 60 2HD1 ILE 60 7.131 -11.209 -11.334 460 3HD1 ILE 60 3HD1 ILE 60 7.053 -12.100 -9.815 461 H THR 61 H THR 61 4.722 -9.513 -12.561 462 HA THR 61 HA THR 61 2.424 -10.914 -11.262 463 HB THR 61 HB THR 61 1.597 -11.290 -13.568 464 HG1 THR 61 HG1 THR 61 2.778 -10.777 -15.246 465 1HG2 THR 61 1HG2 THR 61 0.961 -9.251 -12.304 466 2HG2 THR 61 2HG2 THR 61 1.009 -8.966 -14.042 467 3HG2 THR 61 3HG2 THR 61 2.329 -8.402 -13.022 468 H ASN 62 H ASN 62 2.013 -13.167 -12.207 469 HA ASN 62 HA ASN 62 4.285 -14.845 -11.698 470 1HB ASN 62 2HB ASN 62 1.534 -15.329 -12.835 471 2HB ASN 62 1HB ASN 62 2.725 -16.629 -12.771 472 1HD2 ASN 62 1HD2 ASN 62 2.993 -17.689 -10.769 473 2HD2 ASN 62 2HD2 ASN 62 2.298 -17.163 -9.313 474 H ASP 63 H ASP 63 3.049 -13.360 -14.620 475 HA ASP 63 HA ASP 63 4.525 -15.104 -16.448 476 1HB ASP 63 2HB ASP 63 3.306 -12.371 -16.970 477 2HB ASP 63 1HB ASP 63 3.788 -13.554 -18.186 478 H GLY 64 H GLY 64 4.877 -11.709 -15.344 479 1HA GLY 64 2HA GLY 64 7.420 -11.372 -14.701 480 2HA GLY 64 1HA GLY 64 7.650 -11.680 -16.421 481 H VAL 65 H VAL 65 5.269 -9.745 -14.566 482 HA VAL 65 HA VAL 65 6.058 -7.375 -16.215 483 HB VAL 65 HB VAL 65 3.249 -8.116 -15.322 484 1HG1 VAL 65 1HG1 VAL 65 4.223 -5.882 -17.130 485 2HG1 VAL 65 2HG1 VAL 65 3.733 -5.667 -15.450 486 3HG1 VAL 65 3HG1 VAL 65 2.554 -6.191 -16.653 487 1HG2 VAL 65 1HG2 VAL 65 4.544 -8.145 -18.069 488 2HG2 VAL 65 2HG2 VAL 65 2.837 -8.447 -17.746 489 3HG2 VAL 65 3HG2 VAL 65 4.059 -9.565 -17.144 490 H GLY 66 H GLY 66 6.858 -5.823 -14.895 491 1HA GLY 66 2HA GLY 66 6.506 -5.932 -12.009 492 2HA GLY 66 1HA GLY 66 7.411 -4.708 -12.896 493 H VAL 67 H VAL 67 4.195 -5.666 -11.830 494 HA VAL 67 HA VAL 67 2.870 -3.263 -12.809 495 HB VAL 67 HB VAL 67 1.966 -5.197 -10.648 496 1HG1 VAL 67 1HG1 VAL 67 0.424 -3.267 -12.412 497 2HG1 VAL 67 2HG1 VAL 67 0.737 -3.055 -10.690 498 3HG1 VAL 67 3HG1 VAL 67 -0.284 -4.382 -11.244 499 1HG2 VAL 67 1HG2 VAL 67 1.974 -6.669 -12.389 500 2HG2 VAL 67 2HG2 VAL 67 2.093 -5.390 -13.597 501 3HG2 VAL 67 3HG2 VAL 67 0.527 -5.800 -12.898 502 H ASN 68 H ASN 68 2.534 -1.344 -11.715 503 HA ASN 68 HA ASN 68 3.951 -1.042 -9.106 504 1HB ASN 68 2HB ASN 68 3.294 0.850 -11.354 505 2HB ASN 68 1HB ASN 68 3.622 1.477 -9.740 506 1HD2 ASN 68 1HD2 ASN 68 5.575 2.448 -11.003 507 2HD2 ASN 68 2HD2 ASN 68 6.972 1.491 -11.111 508 HA PRO 69 HA PRO 69 0.171 -0.232 -7.006 509 1HB PRO 69 2HB PRO 69 1.111 1.430 -5.024 510 2HB PRO 69 1HB PRO 69 1.394 -0.319 -5.050 511 1HG PRO 69 2HG PRO 69 3.291 1.897 -5.654 512 2HG PRO 69 1HG PRO 69 3.629 0.256 -5.080 513 1HD PRO 69 2HD PRO 69 3.918 1.186 -7.744 514 2HD PRO 69 1HD PRO 69 3.963 -0.508 -7.213 515 H ALA 70 H ALA 70 -0.268 1.114 -9.139 516 HA ALA 70 HA ALA 70 -0.872 3.926 -8.319 517 1HB ALA 70 1HB ALA 70 1.116 3.691 -9.927 518 2HB ALA 70 2HB ALA 70 -0.178 4.781 -10.430 519 3HB ALA 70 3HB ALA 70 -0.060 3.165 -11.131 520 H GLN 71 H GLN 71 -1.664 1.243 -10.540 521 HA GLN 71 HA GLN 71 -4.166 2.430 -11.426 522 1HB GLN 71 2HB GLN 71 -3.002 -0.360 -11.628 523 2HB GLN 71 1HB GLN 71 -4.579 0.063 -12.294 524 1HG GLN 71 2HG GLN 71 -3.677 1.254 -14.016 525 2HG GLN 71 1HG GLN 71 -2.387 1.915 -13.011 526 1HE2 GLN 71 1HE2 GLN 71 -0.415 0.630 -12.756 527 2HE2 GLN 71 2HE2 GLN 71 -0.078 -0.678 -13.786 528 HA PRO 72 HA PRO 72 -6.832 1.049 -8.202 529 1HB PRO 72 2HB PRO 72 -9.146 0.638 -9.630 530 2HB PRO 72 1HB PRO 72 -8.515 2.243 -9.225 531 1HG PRO 72 2HG PRO 72 -8.480 0.819 -11.845 532 2HG PRO 72 1HG PRO 72 -8.470 2.558 -11.514 533 1HD PRO 72 2HD PRO 72 -6.224 1.002 -12.242 534 2HD PRO 72 1HD PRO 72 -6.180 2.650 -11.578 535 H ALA 73 H ALA 73 -8.062 -0.849 -7.419 536 HA ALA 73 HA ALA 73 -6.896 -3.358 -8.048 537 1HB ALA 73 1HB ALA 73 -7.954 -3.133 -5.926 538 2HB ALA 73 2HB ALA 73 -8.940 -4.293 -6.816 539 3HB ALA 73 3HB ALA 73 -9.476 -2.620 -6.655 540 H GLY 74 H GLY 74 -9.908 -1.870 -9.240 541 1HA GLY 74 2HA GLY 74 -10.929 -4.123 -10.652 542 2HA GLY 74 1HA GLY 74 -11.280 -2.442 -11.053 543 H ASN 75 H ASN 75 -8.685 -1.544 -11.702 544 HA ASN 75 HA ASN 75 -8.423 -2.535 -14.409 545 1HB ASN 75 2HB ASN 75 -7.779 -0.196 -13.274 546 2HB ASN 75 1HB ASN 75 -6.206 -0.983 -13.142 547 1HD2 ASN 75 1HD2 ASN 75 -5.037 -1.440 -15.119 548 2HD2 ASN 75 2HD2 ASN 75 -5.546 -0.841 -16.624 549 H ILE 76 H ILE 76 -6.548 -3.020 -11.414 550 HA ILE 76 HA ILE 76 -4.377 -4.479 -12.572 551 HB ILE 76 HB ILE 76 -5.593 -4.665 -9.795 552 1HG1 ILE 76 2HG1 ILE 76 -4.722 -2.419 -10.468 553 2HG1 ILE 76 1HG1 ILE 76 -3.799 -3.136 -9.153 554 1HG2 ILE 76 1HG2 ILE 76 -4.165 -6.643 -10.522 555 2HG2 ILE 76 2HG2 ILE 76 -3.587 -5.781 -9.098 556 3HG2 ILE 76 3HG2 ILE 76 -2.817 -5.516 -10.662 557 1HD1 ILE 76 1HD1 ILE 76 -2.073 -3.873 -10.728 558 2HD1 ILE 76 2HD1 ILE 76 -2.329 -2.136 -10.892 559 3HD1 ILE 76 3HD1 ILE 76 -3.012 -3.245 -12.080 560 H PHE 77 H PHE 77 -7.476 -5.594 -11.177 561 HA PHE 77 HA PHE 77 -6.997 -8.397 -11.650 562 1HB PHE 77 2HB PHE 77 -8.751 -7.323 -10.101 563 2HB PHE 77 1HB PHE 77 -9.722 -7.086 -11.553 564 HD1 PHE 77 HD1 PHE 77 -10.743 -8.951 -12.709 565 HD2 PHE 77 HD2 PHE 77 -8.190 -9.604 -9.316 566 HE1 PHE 77 HE1 PHE 77 -11.510 -11.305 -12.583 567 HE2 PHE 77 HE2 PHE 77 -8.957 -11.958 -9.193 568 HZ PHE 77 HZ PHE 77 -10.618 -12.809 -10.826 569 H LEU 78 H LEU 78 -8.522 -5.820 -13.564 570 HA LEU 78 HA LEU 78 -9.516 -7.506 -15.673 571 1HB LEU 78 2HB LEU 78 -9.221 -4.637 -15.157 572 2HB LEU 78 1HB LEU 78 -8.954 -5.046 -16.849 573 HG LEU 78 HG LEU 78 -11.344 -4.533 -16.327 574 1HD1 LEU 78 1HD1 LEU 78 -10.392 -7.127 -17.448 575 2HD1 LEU 78 2HD1 LEU 78 -11.289 -5.823 -18.228 576 3HD1 LEU 78 3HD1 LEU 78 -12.126 -6.960 -17.171 577 1HD2 LEU 78 1HD2 LEU 78 -10.815 -6.532 -14.243 578 2HD2 LEU 78 2HD2 LEU 78 -12.281 -6.869 -15.164 579 3HD2 LEU 78 3HD2 LEU 78 -12.093 -5.322 -14.340 580 H LYS 79 H LYS 79 -6.414 -5.850 -15.154 581 HA LYS 79 HA LYS 79 -5.360 -6.511 -17.780 582 1HB LYS 79 2HB LYS 79 -4.637 -4.683 -15.948 583 2HB LYS 79 1HB LYS 79 -3.505 -5.962 -15.511 584 1HG LYS 79 2HG LYS 79 -2.451 -5.925 -17.595 585 2HG LYS 79 1HG LYS 79 -3.842 -5.198 -18.397 586 1HD LYS 79 2HD LYS 79 -2.954 -3.155 -18.095 587 2HD LYS 79 1HD LYS 79 -2.989 -3.402 -16.349 588 1HE LYS 79 2HE LYS 79 -0.815 -4.931 -17.379 589 2HE LYS 79 1HE LYS 79 -0.708 -3.321 -18.087 590 1HZ LYS 79 1HZ LYS 79 0.430 -3.209 -16.056 591 2HZ LYS 79 2HZ LYS 79 -0.784 -4.053 -15.220 592 3HZ LYS 79 3HZ LYS 79 -1.064 -2.465 -15.759 593 H HIS 80 H HIS 80 -4.478 -7.699 -14.498 594 HA HIS 80 HA HIS 80 -3.465 -10.191 -15.806 595 1HB HIS 80 2HB HIS 80 -2.799 -8.997 -13.097 596 2HB HIS 80 1HB HIS 80 -2.130 -10.499 -13.736 597 HD1 HIS 80 HD1 HIS 80 -0.758 -10.229 -16.070 598 HD2 HIS 80 HD2 HIS 80 -1.447 -6.716 -13.932 599 HE1 HIS 80 HE1 HIS 80 0.843 -8.499 -16.998 600 H GLY 81 H GLY 81 -5.027 -9.187 -12.725 601 1HA GLY 81 2HA GLY 81 -7.259 -10.249 -12.231 602 2HA GLY 81 1HA GLY 81 -6.560 -11.759 -12.817 603 H SER 82 H SER 82 -5.621 -13.074 -11.325 604 HA SER 82 HA SER 82 -5.066 -11.920 -8.620 605 1HB SER 82 2HB SER 82 -5.463 -14.243 -7.777 606 2HB SER 82 1HB SER 82 -6.879 -13.532 -8.543 607 HG SER 82 HG SER 82 -6.306 -15.744 -9.184 608 H GLU 83 H GLU 83 -3.433 -12.943 -11.335 609 HA GLU 83 HA GLU 83 -1.343 -14.498 -9.972 610 1HB GLU 83 2HB GLU 83 -1.635 -13.444 -12.798 611 2HB GLU 83 1HB GLU 83 -0.201 -14.304 -12.242 612 1HG GLU 83 2HG GLU 83 -1.377 -16.129 -12.982 613 2HG GLU 83 1HG GLU 83 -2.099 -16.021 -11.377 614 H LEU 84 H LEU 84 -0.415 -13.118 -8.438 615 HA LEU 84 HA LEU 84 1.174 -10.853 -9.558 616 1HB LEU 84 2HB LEU 84 -0.555 -10.798 -7.069 617 2HB LEU 84 1HB LEU 84 0.651 -9.569 -7.448 618 HG LEU 84 HG LEU 84 -1.541 -10.312 -9.396 619 1HD1 LEU 84 1HD1 LEU 84 -1.564 -8.173 -7.245 620 2HD1 LEU 84 2HD1 LEU 84 -2.637 -9.570 -7.343 621 3HD1 LEU 84 3HD1 LEU 84 -2.739 -8.292 -8.556 622 1HD2 LEU 84 1HD2 LEU 84 0.358 -7.975 -9.056 623 2HD2 LEU 84 2HD2 LEU 84 -1.026 -7.931 -10.148 624 3HD2 LEU 84 3HD2 LEU 84 0.269 -9.099 -10.411 625 H ARG 85 H ARG 85 2.916 -10.167 -7.981 626 HA ARG 85 HA ARG 85 3.771 -12.205 -6.023 627 1HB ARG 85 2HB ARG 85 4.952 -11.907 -8.706 628 2HB ARG 85 1HB ARG 85 6.130 -11.831 -7.397 629 1HG ARG 85 2HG ARG 85 5.945 -14.041 -6.984 630 2HG ARG 85 1HG ARG 85 4.185 -13.951 -6.952 631 1HD ARG 85 2HD ARG 85 4.027 -14.784 -9.041 632 2HD ARG 85 1HD ARG 85 5.194 -13.615 -9.658 633 HE ARG 85 HE ARG 85 6.505 -15.729 -8.171 634 1HH1 ARG 85 1HH2 ARG 85 7.555 -14.503 -10.704 635 2HH1 ARG 85 2HH2 ARG 85 7.359 -15.794 -11.840 636 1HH2 ARG 85 2HH1 ARG 85 5.149 -17.579 -9.829 637 2HH2 ARG 85 1HH1 ARG 85 5.990 -17.545 -11.344 638 H LEU 86 H LEU 86 5.321 -11.355 -4.525 639 HA LEU 86 HA LEU 86 5.510 -8.384 -4.602 640 1HB LEU 86 2HB LEU 86 4.529 -9.633 -2.591 641 2HB LEU 86 1HB LEU 86 6.179 -10.159 -2.250 642 HG LEU 86 HG LEU 86 6.197 -7.337 -2.801 643 1HD1 LEU 86 1HD1 LEU 86 3.767 -8.132 -1.631 644 2HD1 LEU 86 2HD1 LEU 86 4.425 -6.497 -1.694 645 3HD1 LEU 86 3HD1 LEU 86 4.745 -7.523 -0.296 646 1HD2 LEU 86 1HD2 LEU 86 6.600 -8.791 -0.172 647 2HD2 LEU 86 2HD2 LEU 86 7.310 -7.253 -0.665 648 3HD2 LEU 86 3HD2 LEU 86 7.810 -8.748 -1.453 649 H ILE 87 H ILE 87 7.430 -7.379 -4.862 650 HA ILE 87 HA ILE 87 9.959 -8.860 -4.389 651 HB ILE 87 HB ILE 87 9.490 -9.200 -6.769 652 1HG1 ILE 87 2HG1 ILE 87 11.545 -6.988 -6.637 653 2HG1 ILE 87 1HG1 ILE 87 11.842 -8.558 -5.892 654 1HG2 ILE 87 1HG2 ILE 87 9.724 -6.483 -7.707 655 2HG2 ILE 87 2HG2 ILE 87 8.371 -6.606 -6.586 656 3HG2 ILE 87 3HG2 ILE 87 8.435 -7.648 -8.004 657 1HD1 ILE 87 1HD1 ILE 87 11.477 -9.678 -8.042 658 2HD1 ILE 87 2HD1 ILE 87 12.734 -8.452 -8.206 659 3HD1 ILE 87 3HD1 ILE 87 11.106 -8.131 -8.803 660 HA PRO 88 HA PRO 88 10.822 -4.882 -2.623 661 1HB PRO 88 2HB PRO 88 13.422 -5.441 -1.903 662 2HB PRO 88 1HB PRO 88 12.004 -5.985 -0.988 663 1HG PRO 88 2HG PRO 88 13.796 -7.555 -2.785 664 2HG PRO 88 1HG PRO 88 12.829 -8.101 -1.406 665 1HD PRO 88 2HD PRO 88 12.150 -8.444 -4.122 666 2HD PRO 88 1HD PRO 88 11.047 -8.641 -2.744 667 H ARG 89 H ARG 89 11.515 -3.007 -3.565 668 HA ARG 89 HA ARG 89 12.879 -3.074 -6.138 669 1HB ARG 89 2HB ARG 89 11.946 -0.823 -4.340 670 2HB ARG 89 1HB ARG 89 12.754 -0.541 -5.882 671 1HG ARG 89 2HG ARG 89 10.989 -2.056 -6.933 672 2HG ARG 89 1HG ARG 89 10.117 -1.944 -5.403 673 1HD ARG 89 2HD ARG 89 11.010 0.661 -6.420 674 2HD ARG 89 1HD ARG 89 9.888 -0.160 -7.504 675 HE ARG 89 HE ARG 89 9.089 -0.044 -4.661 676 1HH1 ARG 89 2HH1 ARG 89 7.096 -0.512 -6.799 677 2HH1 ARG 89 1HH1 ARG 89 6.380 1.052 -7.007 678 1HH2 ARG 89 1HH2 ARG 89 8.957 2.739 -5.379 679 2HH2 ARG 89 2HH2 ARG 89 7.440 2.904 -6.199 680 H ASP 90 H ASP 90 15.043 -3.037 -6.437 681 HA ASP 90 HA ASP 90 16.809 -2.457 -4.126 682 1HB ASP 90 2HB ASP 90 16.926 -4.419 -6.015 683 2HB ASP 90 1HB ASP 90 18.006 -3.221 -6.728 684 H ARG 91 H ARG 91 16.228 -1.329 -7.466 685 HA ARG 91 HA ARG 91 18.031 0.994 -6.929 686 1HB ARG 91 2HB ARG 91 17.066 -0.325 -9.467 687 2HB ARG 91 1HB ARG 91 17.732 1.307 -9.486 688 1HG ARG 91 2HG ARG 91 19.292 -0.762 -8.015 689 2HG ARG 91 1HG ARG 91 19.279 -0.875 -9.775 690 1HD ARG 91 2HD ARG 91 20.852 0.729 -9.830 691 2HD ARG 91 1HD ARG 91 19.658 1.861 -9.197 692 HE ARG 91 HE ARG 91 21.690 0.410 -7.581 693 1HH1 ARG 91 1HH2 ARG 91 21.348 3.447 -7.820 694 2HH1 ARG 91 2HH2 ARG 91 20.613 3.813 -6.297 695 1HH2 ARG 91 2HH1 ARG 91 19.761 0.521 -5.608 696 2HH2 ARG 91 1HH1 ARG 91 19.715 2.158 -5.042 697 H VAL 92 H VAL 92 17.210 3.081 -8.084 698 HA VAL 92 HA VAL 92 14.709 3.859 -6.926 699 HB VAL 92 HB VAL 92 16.290 5.145 -9.183 700 1HG1 VAL 92 1HG1 VAL 92 15.029 7.214 -8.421 701 2HG1 VAL 92 2HG1 VAL 92 13.973 6.141 -7.502 702 3HG1 VAL 92 3HG1 VAL 92 14.050 6.014 -9.260 703 1HG2 VAL 92 1HG2 VAL 92 16.302 6.502 -6.620 704 2HG2 VAL 92 2HG2 VAL 92 17.668 5.931 -7.577 705 3HG2 VAL 92 3HG2 VAL 92 16.872 4.844 -6.438 706 H GLY 93 H GLY 93 12.794 2.999 -7.561 707 1HA GLY 93 2HA GLY 93 10.970 2.587 -9.020 708 2HA GLY 93 1HA GLY 93 11.959 3.155 -10.370 709 H HIS 94 HN HIS 94 12.390 0.560 -7.958 710 HA HIS 94 HA HIS 94 12.581 -1.764 -8.224 711 1HB HIS 94 2HB HIS 94 11.012 -1.216 -10.345 712 2HB HIS 94 1HB HIS 94 12.478 -1.706 -11.198 713 HD1 HIS 94 HD1 HIS 94 13.080 -4.174 -11.181 714 HD2 HIS 94 HD2 HIS 94 9.961 -3.276 -8.569 715 HE1 HIS 94 HE1 HIS 94 12.186 -6.392 -10.341 Start of MODEL 2 1 1H MET 1 1H MET 1 -23.476 -13.387 -14.079 2 2H MET 1 2H MET 1 -23.716 -15.069 -14.107 3 3H MET 1 3H MET 1 -22.205 -14.415 -14.530 4 HA MET 1 HA MET 1 -22.262 -15.401 -12.265 5 1HB MET 1 2HB MET 1 -21.272 -12.830 -13.129 6 2HB MET 1 1HB MET 1 -21.701 -12.746 -11.420 7 1HG MET 1 2HG MET 1 -20.310 -14.679 -10.923 8 2HG MET 1 1HG MET 1 -19.980 -14.928 -12.633 9 1HE MET 1 1HE MET 1 -17.101 -13.636 -10.146 10 2HE MET 1 2HE MET 1 -16.911 -14.554 -11.641 11 3HE MET 1 3HE MET 1 -18.177 -14.997 -10.503 12 H SER 2 H SER 2 -23.970 -15.941 -10.963 13 HA SER 2 HA SER 2 -26.018 -13.886 -10.355 14 1HB SER 2 2HB SER 2 -27.202 -15.854 -9.247 15 2HB SER 2 1HB SER 2 -26.981 -15.978 -10.987 16 HG SER 2 HG SER 2 -26.171 -17.854 -10.371 17 H GLY 3 H GLY 3 -24.534 -12.637 -9.024 18 1HA GLY 3 2HA GLY 3 -23.753 -11.906 -6.952 19 2HA GLY 3 1HA GLY 3 -24.878 -13.050 -6.235 20 H GLY 4 H GLY 4 -21.783 -13.266 -8.059 21 1HA GLY 4 2HA GLY 4 -19.729 -14.113 -7.189 22 2HA GLY 4 1HA GLY 4 -20.592 -14.694 -5.769 23 H THR 5 H THR 5 -21.250 -16.834 -5.723 24 HA THR 5 HA THR 5 -20.616 -18.427 -8.167 25 HB THR 5 HB THR 5 -20.498 -19.161 -5.233 26 HG1 THR 5 HG1 THR 5 -18.418 -18.927 -5.519 27 1HG2 THR 5 1HG2 THR 5 -21.106 -21.223 -6.035 28 2HG2 THR 5 2HG2 THR 5 -19.403 -21.282 -6.481 29 3HG2 THR 5 3HG2 THR 5 -20.614 -20.844 -7.687 30 H ALA 6 H ALA 6 -22.691 -19.072 -5.278 31 HA ALA 6 HA ALA 6 -24.670 -20.290 -7.127 32 1HB ALA 6 1HB ALA 6 -25.693 -21.174 -5.026 33 2HB ALA 6 2HB ALA 6 -24.439 -20.343 -4.107 34 3HB ALA 6 3HB ALA 6 -24.003 -21.641 -5.219 35 H ALA 7 H ALA 7 -26.379 -19.457 -4.389 36 HA ALA 7 HA ALA 7 -27.578 -17.101 -5.765 37 1HB ALA 7 1HB ALA 7 -28.682 -19.010 -3.679 38 2HB ALA 7 2HB ALA 7 -29.195 -18.853 -5.360 39 3HB ALA 7 3HB ALA 7 -29.528 -17.558 -4.211 40 H THR 8 H THR 8 -25.309 -16.301 -4.582 41 HA THR 8 HA THR 8 -26.024 -15.318 -1.858 42 HB THR 8 HB THR 8 -23.462 -14.422 -2.274 43 HG1 THR 8 HG1 THR 8 -22.576 -15.543 -3.786 44 1HG2 THR 8 1HG2 THR 8 -24.034 -17.216 -1.290 45 2HG2 THR 8 2HG2 THR 8 -24.545 -15.793 -0.384 46 3HG2 THR 8 3HG2 THR 8 -22.831 -16.066 -0.698 47 H THR 9 H THR 9 -25.016 -12.970 -1.509 48 HA THR 9 HA THR 9 -26.561 -11.196 -3.147 49 HB THR 9 HB THR 9 -25.961 -10.714 -0.788 50 HG1 THR 9 HG1 THR 9 -26.280 -8.745 -1.379 51 1HG2 THR 9 1HG2 THR 9 -23.605 -9.684 -0.505 52 2HG2 THR 9 2HG2 THR 9 -23.198 -10.551 -1.985 53 3HG2 THR 9 3HG2 THR 9 -23.728 -11.443 -0.559 54 H ALA 10 H ALA 10 -25.816 -9.519 -4.566 55 HA ALA 10 HA ALA 10 -23.747 -10.389 -6.407 56 1HB ALA 10 1HB ALA 10 -24.291 -8.273 -7.606 57 2HB ALA 10 2HB ALA 10 -25.335 -7.808 -6.262 58 3HB ALA 10 3HB ALA 10 -25.730 -9.224 -7.239 59 H GLY 11 H GLY 11 -21.675 -10.283 -5.619 60 1HA GLY 11 2HA GLY 11 -20.753 -7.630 -4.577 61 2HA GLY 11 1HA GLY 11 -20.199 -9.147 -3.870 62 H SER 12 H SER 12 -19.867 -6.969 -6.580 63 HA SER 12 HA SER 12 -18.006 -8.752 -8.008 64 1HB SER 12 2HB SER 12 -17.735 -6.690 -9.499 65 2HB SER 12 1HB SER 12 -19.348 -7.392 -9.442 66 HG SER 12 HG SER 12 -18.428 -4.955 -8.545 67 H LYS 13 H LYS 13 -16.197 -9.034 -6.714 68 HA LYS 13 HA LYS 13 -14.616 -6.570 -6.090 69 1HB LYS 13 2HB LYS 13 -14.763 -9.071 -4.375 70 2HB LYS 13 1HB LYS 13 -13.878 -7.591 -4.004 71 1HG LYS 13 2HG LYS 13 -16.307 -6.516 -4.371 72 2HG LYS 13 1HG LYS 13 -16.810 -8.132 -3.878 73 1HD LYS 13 2HD LYS 13 -15.385 -7.939 -1.854 74 2HD LYS 13 1HD LYS 13 -14.946 -6.300 -2.338 75 1HE LYS 13 2HE LYS 13 -17.551 -5.938 -2.432 76 2HE LYS 13 1HE LYS 13 -17.593 -7.344 -1.369 77 1HZ LYS 13 1HZ LYS 13 -17.467 -5.151 -0.218 78 2HZ LYS 13 2HZ LYS 13 -15.903 -4.960 -0.854 79 3HZ LYS 13 3HZ LYS 13 -16.242 -6.243 0.208 80 H VAL 14 H VAL 14 -12.297 -6.859 -6.193 81 HA VAL 14 HA VAL 14 -11.497 -9.212 -7.854 82 HB VAL 14 HB VAL 14 -9.513 -7.746 -8.481 83 1HG1 VAL 14 1HG1 VAL 14 -12.376 -7.188 -9.169 84 2HG1 VAL 14 2HG1 VAL 14 -11.095 -7.865 -10.176 85 3HG1 VAL 14 3HG1 VAL 14 -11.124 -6.136 -9.830 86 1HG2 VAL 14 1HG2 VAL 14 -9.681 -5.361 -8.064 87 2HG2 VAL 14 2HG2 VAL 14 -9.780 -6.193 -6.513 88 3HG2 VAL 14 3HG2 VAL 14 -11.242 -5.563 -7.272 89 H THR 15 H THR 15 -10.271 -10.712 -6.875 90 HA THR 15 HA THR 15 -8.877 -10.007 -4.338 91 HB THR 15 HB THR 15 -10.485 -11.926 -4.323 92 HG1 THR 15 HG1 THR 15 -9.193 -12.532 -2.814 93 1HG2 THR 15 1HG2 THR 15 -10.219 -13.823 -5.630 94 2HG2 THR 15 2HG2 THR 15 -8.492 -13.553 -5.860 95 3HG2 THR 15 3HG2 THR 15 -9.662 -12.582 -6.753 96 H PHE 16 H PHE 16 -6.637 -10.500 -4.066 97 HA PHE 16 HA PHE 16 -5.172 -11.180 -6.587 98 1HB PHE 16 2HB PHE 16 -4.317 -9.143 -4.512 99 2HB PHE 16 1HB PHE 16 -3.453 -9.545 -5.995 100 HD1 PHE 16 HD1 PHE 16 -6.040 -7.509 -4.526 101 HD2 PHE 16 HD2 PHE 16 -4.662 -9.186 -8.236 102 HE1 PHE 16 HE1 PHE 16 -7.405 -5.861 -5.781 103 HE2 PHE 16 HE2 PHE 16 -6.027 -7.537 -9.487 104 HZ PHE 16 HZ PHE 16 -7.399 -5.877 -8.259 105 H LYS 17 H LYS 17 -3.572 -12.659 -6.380 106 HA LYS 17 HA LYS 17 -3.035 -13.785 -3.664 107 1HB LYS 17 2HB LYS 17 -3.723 -14.974 -6.160 108 2HB LYS 17 1HB LYS 17 -2.060 -15.436 -5.809 109 1HG LYS 17 2HG LYS 17 -2.697 -16.310 -3.644 110 2HG LYS 17 1HG LYS 17 -4.346 -15.709 -3.840 111 1HD LYS 17 2HD LYS 17 -4.652 -17.180 -5.793 112 2HD LYS 17 1HD LYS 17 -3.002 -17.776 -5.604 113 1HE LYS 17 2HE LYS 17 -3.978 -18.177 -3.092 114 2HE LYS 17 1HE LYS 17 -5.433 -18.432 -4.055 115 1HZ LYS 17 1HZ LYS 17 -3.230 -19.702 -5.288 116 2HZ LYS 17 2HZ LYS 17 -4.667 -20.390 -4.699 117 3HZ LYS 17 3HZ LYS 17 -3.330 -20.198 -3.670 118 H ILE 18 H ILE 18 -1.191 -12.702 -2.941 119 HA ILE 18 HA ILE 18 1.060 -12.365 -4.863 120 HB ILE 18 HB ILE 18 0.752 -11.221 -2.070 121 1HG1 ILE 18 2HG1 ILE 18 0.584 -9.135 -3.869 122 2HG1 ILE 18 1HG1 ILE 18 -0.321 -10.404 -4.692 123 1HG2 ILE 18 1HG2 ILE 18 2.570 -9.724 -2.791 124 2HG2 ILE 18 2HG2 ILE 18 2.627 -10.535 -4.355 125 3HG2 ILE 18 3HG2 ILE 18 3.082 -11.408 -2.892 126 1HD1 ILE 18 1HD1 ILE 18 -0.968 -8.931 -2.210 127 2HD1 ILE 18 2HD1 ILE 18 -1.281 -10.666 -2.154 128 3HD1 ILE 18 3HD1 ILE 18 -2.045 -9.671 -3.394 129 H THR 19 H THR 19 2.777 -13.700 -4.766 130 HA THR 19 HA THR 19 3.297 -15.213 -2.236 131 HB THR 19 HB THR 19 2.276 -16.716 -3.925 132 HG1 THR 19 HG1 THR 19 3.679 -17.817 -2.728 133 1HG2 THR 19 1HG2 THR 19 4.495 -15.607 -5.625 134 2HG2 THR 19 2HG2 THR 19 2.791 -15.820 -6.026 135 3HG2 THR 19 3HG2 THR 19 3.859 -17.221 -5.939 136 H LEU 20 H LEU 20 5.621 -15.962 -2.102 137 HA LEU 20 HA LEU 20 7.415 -13.776 -2.747 138 1HB LEU 20 2HB LEU 20 7.450 -16.065 -1.041 139 2HB LEU 20 1HB LEU 20 8.882 -16.143 -2.067 140 HG LEU 20 HG LEU 20 8.268 -13.460 -0.978 141 1HD1 LEU 20 1HD1 LEU 20 8.271 -15.749 0.766 142 2HD1 LEU 20 2HD1 LEU 20 8.119 -14.044 1.190 143 3HD1 LEU 20 3HD1 LEU 20 9.716 -14.785 1.077 144 1HD2 LEU 20 1HD2 LEU 20 10.357 -13.374 -1.875 145 2HD2 LEU 20 2HD2 LEU 20 10.564 -15.123 -1.788 146 3HD2 LEU 20 3HD2 LEU 20 10.870 -14.126 -0.365 147 H THR 21 H THR 21 9.252 -13.856 -4.171 148 HA THR 21 HA THR 21 8.750 -15.417 -6.617 149 HB THR 21 HB THR 21 10.825 -14.120 -7.419 150 HG1 THR 21 HG1 THR 21 11.838 -13.169 -5.858 151 1HG2 THR 21 1HG2 THR 21 8.307 -13.524 -7.675 152 2HG2 THR 21 2HG2 THR 21 9.504 -12.267 -7.987 153 3HG2 THR 21 3HG2 THR 21 8.636 -12.298 -6.451 154 H SER 22 H SER 22 11.301 -15.177 -4.128 155 HA SER 22 HA SER 22 13.036 -17.137 -5.341 156 1HB SER 22 2HB SER 22 14.116 -17.211 -3.084 157 2HB SER 22 1HB SER 22 13.929 -15.574 -3.703 158 HG SER 22 HG SER 22 13.253 -15.845 -1.493 159 H ASP 23 H ASP 23 10.634 -17.358 -2.699 160 HA ASP 23 HA ASP 23 10.678 -20.330 -3.055 161 1HB ASP 23 2HB ASP 23 9.967 -20.490 -0.693 162 2HB ASP 23 1HB ASP 23 11.500 -19.631 -0.835 163 HA PRO 24 HA PRO 24 6.397 -20.115 -4.045 164 1HB PRO 24 2HB PRO 24 5.591 -22.584 -3.129 165 2HB PRO 24 1HB PRO 24 6.521 -22.345 -4.619 166 1HG PRO 24 2HG PRO 24 7.441 -23.381 -1.976 167 2HG PRO 24 1HG PRO 24 8.084 -23.706 -3.596 168 1HD PRO 24 2HD PRO 24 9.209 -21.938 -1.703 169 2HD PRO 24 1HD PRO 24 9.613 -22.004 -3.432 170 H LYS 25 H LYS 25 7.193 -21.216 -0.745 171 HA LYS 25 HA LYS 25 6.268 -20.671 1.324 172 1HB LYS 25 2HB LYS 25 5.929 -18.373 -0.222 173 2HB LYS 25 1HB LYS 25 4.329 -18.675 0.456 174 1HG LYS 25 2HG LYS 25 5.902 -19.155 2.635 175 2HG LYS 25 1HG LYS 25 6.844 -17.908 1.818 176 1HD LYS 25 2HD LYS 25 3.875 -17.556 2.193 177 2HD LYS 25 1HD LYS 25 4.986 -17.168 3.506 178 1HE LYS 25 2HE LYS 25 5.462 -15.199 2.526 179 2HE LYS 25 1HE LYS 25 6.054 -16.050 1.102 180 1HZ LYS 25 1HZ LYS 25 3.216 -16.066 1.164 181 2HZ LYS 25 2HZ LYS 25 4.259 -15.453 -0.026 182 3HZ LYS 25 3HZ LYS 25 3.795 -14.476 1.283 183 H LEU 26 H LEU 26 4.816 -21.931 2.336 184 HA LEU 26 HA LEU 26 2.723 -23.317 0.979 185 1HB LEU 26 2HB LEU 26 3.788 -23.185 3.682 186 2HB LEU 26 1HB LEU 26 2.030 -23.300 3.702 187 HG LEU 26 HG LEU 26 3.086 -25.538 3.701 188 1HD1 LEU 26 1HD1 LEU 26 0.883 -24.981 2.488 189 2HD1 LEU 26 2HD1 LEU 26 1.679 -26.491 2.046 190 3HD1 LEU 26 3HD1 LEU 26 1.819 -25.079 0.997 191 1HD2 LEU 26 1HD2 LEU 26 5.023 -24.525 2.174 192 2HD2 LEU 26 2HD2 LEU 26 3.992 -25.129 0.876 193 3HD2 LEU 26 3HD2 LEU 26 4.610 -26.239 2.100 194 HA PRO 27 HA PRO 27 -0.335 -20.201 2.926 195 1HB PRO 27 2HB PRO 27 0.689 -18.083 4.349 196 2HB PRO 27 1HB PRO 27 0.269 -19.641 5.079 197 1HG PRO 27 2HG PRO 27 2.963 -18.520 4.473 198 2HG PRO 27 1HG PRO 27 2.492 -19.712 5.696 199 1HD PRO 27 2HD PRO 27 3.735 -20.272 3.212 200 2HD PRO 27 1HD PRO 27 2.988 -21.458 4.303 201 H PHE 28 H PHE 28 -1.195 -18.796 1.427 202 HA PHE 28 HA PHE 28 0.690 -17.057 -0.110 203 1HB PHE 28 2HB PHE 28 -2.016 -18.229 -0.793 204 2HB PHE 28 1HB PHE 28 -1.254 -16.972 -1.766 205 HD1 PHE 28 HD1 PHE 28 -1.109 -20.489 -0.715 206 HD2 PHE 28 HD2 PHE 28 0.815 -17.411 -3.007 207 HE1 PHE 28 HE1 PHE 28 0.265 -22.204 -1.863 208 HE2 PHE 28 HE2 PHE 28 2.190 -19.125 -4.155 209 HZ PHE 28 HZ PHE 28 1.915 -21.521 -3.583 210 H LYS 29 H LYS 29 0.146 -14.852 -0.453 211 HA LYS 29 HA LYS 29 -1.552 -13.682 1.660 212 1HB LYS 29 2HB LYS 29 0.580 -12.716 -0.167 213 2HB LYS 29 1HB LYS 29 -0.684 -11.545 0.205 214 1HG LYS 29 2HG LYS 29 0.898 -11.222 1.931 215 2HG LYS 29 1HG LYS 29 -0.333 -12.246 2.672 216 1HD LYS 29 2HD LYS 29 1.027 -14.244 2.169 217 2HD LYS 29 1HD LYS 29 2.265 -13.217 1.447 218 1HE LYS 29 2HE LYS 29 2.751 -12.173 3.541 219 2HE LYS 29 1HE LYS 29 1.316 -12.864 4.296 220 1HZ LYS 29 1HZ LYS 29 2.614 -14.522 4.947 221 2HZ LYS 29 2HZ LYS 29 3.913 -13.983 3.997 222 3HZ LYS 29 3HZ LYS 29 2.734 -15.011 3.329 223 H VAL 30 H VAL 30 -3.696 -13.974 1.098 224 HA VAL 30 HA VAL 30 -4.565 -13.229 -1.650 225 HB VAL 30 HB VAL 30 -6.168 -14.509 0.590 226 1HG1 VAL 30 1HG1 VAL 30 -7.457 -15.228 -1.621 227 2HG1 VAL 30 2HG1 VAL 30 -6.712 -13.762 -2.262 228 3HG1 VAL 30 3HG1 VAL 30 -7.777 -13.671 -0.858 229 1HG2 VAL 30 1HG2 VAL 30 -4.809 -15.766 -1.819 230 2HG2 VAL 30 2HG2 VAL 30 -5.834 -16.613 -0.660 231 3HG2 VAL 30 3HG2 VAL 30 -4.287 -15.943 -0.143 232 H LEU 31 H LEU 31 -5.275 -11.184 -1.947 233 HA LEU 31 HA LEU 31 -6.419 -9.720 0.401 234 1HB LEU 31 2HB LEU 31 -4.523 -8.948 -1.731 235 2HB LEU 31 1HB LEU 31 -5.790 -7.763 -1.411 236 HG LEU 31 HG LEU 31 -4.657 -8.886 1.046 237 1HD1 LEU 31 1HD1 LEU 31 -2.860 -7.860 -1.084 238 2HD1 LEU 31 2HD1 LEU 31 -2.505 -8.928 0.274 239 3HD1 LEU 31 3HD1 LEU 31 -2.605 -7.186 0.525 240 1HD2 LEU 31 1HD2 LEU 31 -6.096 -6.714 0.431 241 2HD2 LEU 31 2HD2 LEU 31 -4.491 -6.002 0.268 242 3HD2 LEU 31 3HD2 LEU 31 -4.984 -6.724 1.799 243 H SER 32 H SER 32 -8.608 -9.782 0.220 244 HA SER 32 HA SER 32 -9.853 -9.639 -2.480 245 1HB SER 32 2HB SER 32 -10.748 -10.600 0.209 246 2HB SER 32 1HB SER 32 -11.973 -9.993 -0.901 247 HG SER 32 HG SER 32 -11.662 -12.190 -1.252 248 H VAL 33 H VAL 33 -10.166 -7.576 -3.143 249 HA VAL 33 HA VAL 33 -11.495 -5.680 -1.266 250 HB VAL 33 HB VAL 33 -10.049 -3.839 -2.222 251 1HG1 VAL 33 1HG1 VAL 33 -8.231 -5.838 -0.928 252 2HG1 VAL 33 2HG1 VAL 33 -9.645 -5.276 -0.037 253 3HG1 VAL 33 3HG1 VAL 33 -8.432 -4.119 -0.584 254 1HG2 VAL 33 1HG2 VAL 33 -8.285 -6.124 -3.144 255 2HG2 VAL 33 2HG2 VAL 33 -8.027 -4.399 -3.402 256 3HG2 VAL 33 3HG2 VAL 33 -9.345 -5.227 -4.232 257 HA PRO 34 HA PRO 34 -14.053 -4.782 -4.725 258 1HB PRO 34 2HB PRO 34 -14.696 -2.157 -4.191 259 2HB PRO 34 1HB PRO 34 -15.377 -3.535 -3.309 260 1HG PRO 34 2HG PRO 34 -13.281 -1.597 -2.436 261 2HG PRO 34 1HG PRO 34 -14.441 -2.510 -1.459 262 1HD PRO 34 2HD PRO 34 -11.720 -3.157 -1.782 263 2HD PRO 34 1HD PRO 34 -12.974 -4.252 -1.162 264 H GLU 35 H GLU 35 -14.201 -3.412 -6.692 265 HA GLU 35 HA GLU 35 -11.681 -2.871 -7.904 266 1HB GLU 35 2HB GLU 35 -14.525 -2.176 -8.602 267 2HB GLU 35 1HB GLU 35 -13.197 -1.519 -9.558 268 1HG GLU 35 2HG GLU 35 -13.543 -3.491 -10.712 269 2HG GLU 35 1HG GLU 35 -12.384 -4.060 -9.512 270 H SER 36 H SER 36 -13.839 -0.807 -6.031 271 HA SER 36 HA SER 36 -12.787 1.739 -6.769 272 1HB SER 36 2HB SER 36 -13.647 2.477 -4.527 273 2HB SER 36 1HB SER 36 -14.835 1.594 -5.480 274 HG SER 36 HG SER 36 -14.682 0.884 -3.278 275 H THR 37 H THR 37 -11.694 -0.639 -4.352 276 HA THR 37 HA THR 37 -9.691 1.004 -3.123 277 HB THR 37 HB THR 37 -9.760 -2.015 -3.456 278 HG1 THR 37 HG1 THR 37 -10.539 -0.416 -1.248 279 1HG2 THR 37 1HG2 THR 37 -8.460 -0.870 -1.088 280 2HG2 THR 37 2HG2 THR 37 -7.644 -0.457 -2.594 281 3HG2 THR 37 3HG2 THR 37 -7.903 -2.148 -2.167 282 HA PRO 38 HA PRO 38 -6.907 1.066 -6.604 283 1HB PRO 38 2HB PRO 38 -5.050 2.694 -5.397 284 2HB PRO 38 1HB PRO 38 -6.555 3.289 -6.119 285 1HG PRO 38 2HG PRO 38 -5.853 2.972 -3.239 286 2HG PRO 38 1HG PRO 38 -7.008 4.081 -3.997 287 1HD PRO 38 2HD PRO 38 -7.653 1.680 -2.639 288 2HD PRO 38 1HD PRO 38 -8.748 2.631 -3.665 289 H PHE 39 H PHE 39 -4.619 0.432 -7.011 290 HA PHE 39 HA PHE 39 -3.835 -1.903 -5.522 291 1HB PHE 39 2HB PHE 39 -3.277 -1.143 -8.001 292 2HB PHE 39 1HB PHE 39 -1.855 -0.441 -7.229 293 HD1 PHE 39 HD1 PHE 39 0.034 -1.797 -7.064 294 HD2 PHE 39 HD2 PHE 39 -3.853 -3.626 -7.093 295 HE1 PHE 39 HE1 PHE 39 1.087 -4.039 -6.965 296 HE2 PHE 39 HE2 PHE 39 -2.799 -5.867 -6.995 297 HZ PHE 39 HZ PHE 39 -0.329 -6.075 -6.931 298 H THR 40 H THR 40 -3.281 1.464 -4.982 299 HA THR 40 HA THR 40 -0.752 1.400 -3.660 300 HB THR 40 HB THR 40 -1.667 3.416 -2.396 301 HG1 THR 40 HG1 THR 40 -3.713 3.847 -2.534 302 1HG2 THR 40 1HG2 THR 40 -0.579 4.164 -4.263 303 2HG2 THR 40 2HG2 THR 40 -2.217 4.595 -4.756 304 3HG2 THR 40 3HG2 THR 40 -1.484 3.102 -5.342 305 H ALA 41 H ALA 41 -4.069 0.922 -2.431 306 HA ALA 41 HA ALA 41 -3.178 0.318 0.278 307 1HB ALA 41 1HB ALA 41 -5.406 1.258 -0.082 308 2HB ALA 41 2HB ALA 41 -5.559 -0.353 0.620 309 3HB ALA 41 3HB ALA 41 -5.845 -0.111 -1.103 310 H VAL 42 H VAL 42 -4.126 -1.572 -2.591 311 HA VAL 42 HA VAL 42 -4.174 -4.148 -1.341 312 HB VAL 42 HB VAL 42 -3.416 -3.424 -4.193 313 1HG1 VAL 42 1HG1 VAL 42 -4.705 -6.008 -3.705 314 2HG1 VAL 42 2HG1 VAL 42 -3.138 -5.874 -2.908 315 3HG1 VAL 42 3HG1 VAL 42 -3.263 -5.635 -4.649 316 1HG2 VAL 42 1HG2 VAL 42 -5.724 -2.728 -3.240 317 2HG2 VAL 42 2HG2 VAL 42 -6.079 -4.455 -3.209 318 3HG2 VAL 42 3HG2 VAL 42 -5.711 -3.658 -4.738 319 H LEU 43 H LEU 43 -1.528 -2.487 -3.096 320 HA LEU 43 HA LEU 43 0.469 -4.481 -2.580 321 1HB LEU 43 2HB LEU 43 0.590 -2.623 -4.310 322 2HB LEU 43 1HB LEU 43 0.956 -1.517 -2.986 323 HG LEU 43 HG LEU 43 2.603 -3.928 -2.885 324 1HD1 LEU 43 1HD1 LEU 43 2.135 -2.832 -5.483 325 2HD1 LEU 43 2HD1 LEU 43 3.284 -4.087 -5.021 326 3HD1 LEU 43 3HD1 LEU 43 3.772 -2.393 -4.998 327 1HD2 LEU 43 1HD2 LEU 43 3.496 -2.237 -1.613 328 2HD2 LEU 43 2HD2 LEU 43 2.853 -0.970 -2.658 329 3HD2 LEU 43 3HD2 LEU 43 4.310 -1.844 -3.128 330 H LYS 44 H LYS 44 -0.581 -1.608 -0.781 331 HA LYS 44 HA LYS 44 1.508 -1.553 1.166 332 1HB LYS 44 2HB LYS 44 -0.636 0.024 0.659 333 2HB LYS 44 1HB LYS 44 -1.245 -0.864 2.054 334 1HG LYS 44 2HG LYS 44 1.362 -0.218 2.779 335 2HG LYS 44 1HG LYS 44 0.801 1.220 1.926 336 1HD LYS 44 2HD LYS 44 -0.306 1.812 3.797 337 2HD LYS 44 1HD LYS 44 -1.362 0.421 3.545 338 1HE LYS 44 2HE LYS 44 0.411 -0.981 4.726 339 2HE LYS 44 1HE LYS 44 1.176 0.540 5.189 340 1HZ LYS 44 1HZ LYS 44 -0.415 -0.389 6.851 341 2HZ LYS 44 2HZ LYS 44 -1.669 -0.096 5.745 342 3HZ LYS 44 3HZ LYS 44 -0.756 1.199 6.361 343 H PHE 45 H PHE 45 -1.668 -3.186 1.181 344 HA PHE 45 HA PHE 45 -1.339 -4.421 3.761 345 1HB PHE 45 2HB PHE 45 -3.353 -4.275 1.782 346 2HB PHE 45 1HB PHE 45 -3.002 -5.989 1.991 347 HD1 PHE 45 HD1 PHE 45 -3.659 -2.869 3.953 348 HD2 PHE 45 HD2 PHE 45 -3.897 -7.155 3.820 349 HE1 PHE 45 HE1 PHE 45 -4.907 -2.867 6.096 350 HE2 PHE 45 HE2 PHE 45 -5.146 -7.152 5.961 351 HZ PHE 45 HZ PHE 45 -5.650 -5.008 7.099 352 H ALA 46 H ALA 46 -0.724 -5.561 0.430 353 HA ALA 46 HA ALA 46 0.043 -8.227 1.080 354 1HB ALA 46 1HB ALA 46 1.268 -8.173 -1.091 355 2HB ALA 46 2HB ALA 46 1.010 -6.430 -1.167 356 3HB ALA 46 3HB ALA 46 -0.368 -7.528 -1.231 357 H ALA 47 H ALA 47 1.998 -5.249 0.811 358 HA ALA 47 HA ALA 47 4.522 -6.469 1.417 359 1HB ALA 47 1HB ALA 47 4.590 -4.292 0.460 360 2HB ALA 47 2HB ALA 47 5.133 -4.073 2.123 361 3HB ALA 47 3HB ALA 47 3.485 -3.639 1.669 362 H GLU 48 H GLU 48 1.995 -5.040 3.475 363 HA GLU 48 HA GLU 48 3.393 -5.090 5.956 364 1HB GLU 48 2HB GLU 48 1.182 -3.976 5.563 365 2HB GLU 48 1HB GLU 48 0.430 -5.570 5.503 366 1HG GLU 48 2HG GLU 48 2.045 -5.455 7.860 367 2HG GLU 48 1HG GLU 48 1.054 -3.997 7.812 368 H GLU 49 H GLU 49 1.351 -7.576 4.395 369 HA GLU 49 HA GLU 49 1.752 -9.532 6.504 370 1HB GLU 49 2HB GLU 49 0.566 -9.550 3.746 371 2HB GLU 49 1HB GLU 49 0.951 -11.088 4.514 372 1HG GLU 49 2HG GLU 49 -1.120 -10.879 5.439 373 2HG GLU 49 1HG GLU 49 -0.304 -9.798 6.568 374 H PHE 50 H PHE 50 3.413 -8.717 3.494 375 HA PHE 50 HA PHE 50 5.083 -11.117 3.487 376 1HB PHE 50 2HB PHE 50 4.730 -8.717 1.807 377 2HB PHE 50 1HB PHE 50 6.386 -9.319 1.880 378 HD1 PHE 50 HD1 PHE 50 6.950 -11.577 1.087 379 HD2 PHE 50 HD2 PHE 50 2.944 -10.050 0.827 380 HE1 PHE 50 HE1 PHE 50 6.357 -13.396 -0.489 381 HE2 PHE 50 HE2 PHE 50 2.353 -11.868 -0.748 382 HZ PHE 50 HZ PHE 50 4.058 -13.539 -1.406 383 H LYS 51 H LYS 51 5.094 -8.487 5.528 384 HA LYS 51 HA LYS 51 6.664 -7.636 7.023 385 1HB LYS 51 2HB LYS 51 7.869 -10.246 6.187 386 2HB LYS 51 1HB LYS 51 8.863 -9.123 7.117 387 1HG LYS 51 2HG LYS 51 6.502 -9.019 8.495 388 2HG LYS 51 1HG LYS 51 6.509 -10.696 7.951 389 1HD LYS 51 2HD LYS 51 9.057 -10.531 8.782 390 2HD LYS 51 1HD LYS 51 8.352 -9.306 9.837 391 1HE LYS 51 2HE LYS 51 7.333 -12.154 9.553 392 2HE LYS 51 1HE LYS 51 8.302 -11.547 10.895 393 1HZ LYS 51 1HZ LYS 51 6.580 -10.274 11.685 394 2HZ LYS 51 2HZ LYS 51 5.727 -11.607 11.070 395 3HZ LYS 51 3HZ LYS 51 5.802 -10.163 10.181 396 H VAL 52 H VAL 52 6.597 -6.518 4.422 397 HA VAL 52 HA VAL 52 9.423 -5.588 4.191 398 HB VAL 52 HB VAL 52 9.057 -5.402 1.696 399 1HG1 VAL 52 1HG1 VAL 52 10.309 -7.289 2.813 400 2HG1 VAL 52 2HG1 VAL 52 9.602 -7.709 1.253 401 3HG1 VAL 52 3HG1 VAL 52 8.822 -8.234 2.744 402 1HG2 VAL 52 1HG2 VAL 52 6.532 -5.577 1.898 403 2HG2 VAL 52 2HG2 VAL 52 6.751 -7.300 2.201 404 3HG2 VAL 52 3HG2 VAL 52 7.253 -6.603 0.661 405 HA PRO 53 HA PRO 53 7.576 -1.604 4.320 406 1HB PRO 53 2HB PRO 53 9.503 -0.159 2.989 407 2HB PRO 53 1HB PRO 53 9.683 -0.745 4.652 408 1HG PRO 53 2HG PRO 53 10.933 -1.782 2.149 409 2HG PRO 53 1HG PRO 53 11.523 -1.869 3.817 410 1HD PRO 53 2HD PRO 53 10.293 -3.974 2.393 411 2HD PRO 53 1HD PRO 53 10.555 -3.922 4.150 412 H ALA 54 H ALA 54 5.984 -0.671 3.110 413 HA ALA 54 HA ALA 54 5.434 -1.423 0.402 414 1HB ALA 54 1HB ALA 54 3.711 0.357 0.486 415 2HB ALA 54 2HB ALA 54 4.413 0.952 1.991 416 3HB ALA 54 3HB ALA 54 3.673 -0.648 1.935 417 H ALA 55 H ALA 55 7.267 1.237 1.801 418 HA ALA 55 HA ALA 55 7.418 2.834 -0.616 419 1HB ALA 55 1HB ALA 55 9.556 3.684 0.758 420 2HB ALA 55 2HB ALA 55 8.731 2.833 2.065 421 3HB ALA 55 3HB ALA 55 7.915 4.145 1.214 422 H THR 56 H THR 56 8.911 -0.106 0.311 423 HA THR 56 HA THR 56 10.850 0.175 -1.934 424 HB THR 56 HB THR 56 11.599 -1.262 0.620 425 HG1 THR 56 HG1 THR 56 12.164 0.560 1.500 426 1HG2 THR 56 1HG2 THR 56 12.903 -1.780 -1.386 427 2HG2 THR 56 2HG2 THR 56 13.885 -0.851 -0.252 428 3HG2 THR 56 3HG2 THR 56 13.185 -0.062 -1.666 429 H SER 57 H SER 57 8.409 -1.016 -2.251 430 HA SER 57 HA SER 57 9.157 -3.847 -2.664 431 1HB SER 57 2HB SER 57 7.054 -4.662 -1.640 432 2HB SER 57 1HB SER 57 8.078 -3.856 -0.456 433 HG SER 57 HG SER 57 5.646 -3.313 -0.800 434 H ALA 58 H ALA 58 7.906 -4.867 -4.303 435 HA ALA 58 HA ALA 58 5.853 -3.244 -5.705 436 1HB ALA 58 1HB ALA 58 8.058 -4.531 -7.306 437 2HB ALA 58 2HB ALA 58 8.260 -2.902 -6.661 438 3HB ALA 58 3HB ALA 58 6.947 -3.248 -7.787 439 H ILE 59 H ILE 59 4.668 -4.608 -7.345 440 HA ILE 59 HA ILE 59 4.836 -7.517 -6.647 441 HB ILE 59 HB ILE 59 2.440 -5.702 -6.896 442 1HG1 ILE 59 2HG1 ILE 59 2.972 -7.939 -4.933 443 2HG1 ILE 59 1HG1 ILE 59 3.655 -6.329 -4.699 444 1HG2 ILE 59 1HG2 ILE 59 1.811 -7.472 -8.362 445 2HG2 ILE 59 2HG2 ILE 59 1.094 -7.888 -6.806 446 3HG2 ILE 59 3HG2 ILE 59 2.570 -8.692 -7.340 447 1HD1 ILE 59 1HD1 ILE 59 0.907 -7.256 -4.302 448 2HD1 ILE 59 2HD1 ILE 59 0.996 -5.806 -5.302 449 3HD1 ILE 59 3HD1 ILE 59 1.702 -5.808 -3.685 450 H ILE 60 H ILE 60 5.286 -8.747 -8.403 451 HA ILE 60 HA ILE 60 4.835 -7.577 -11.105 452 HB ILE 60 HB ILE 60 6.389 -9.326 -11.906 453 1HG1 ILE 60 2HG1 ILE 60 7.382 -10.144 -9.297 454 2HG1 ILE 60 1HG1 ILE 60 5.691 -10.601 -9.495 455 1HG2 ILE 60 1HG2 ILE 60 8.186 -8.477 -9.898 456 2HG2 ILE 60 2HG2 ILE 60 7.007 -7.177 -10.077 457 3HG2 ILE 60 3HG2 ILE 60 7.922 -7.738 -11.477 458 1HD1 ILE 60 1HD1 ILE 60 6.592 -11.339 -11.915 459 2HD1 ILE 60 2HD1 ILE 60 6.654 -12.420 -10.523 460 3HD1 ILE 60 3HD1 ILE 60 8.092 -11.519 -11.004 461 H THR 61 H THR 61 4.247 -9.309 -12.827 462 HA THR 61 HA THR 61 1.994 -10.956 -11.747 463 HB THR 61 HB THR 61 2.364 -10.023 -14.609 464 HG1 THR 61 HG1 THR 61 1.662 -8.154 -14.006 465 1HG2 THR 61 1HG2 THR 61 0.429 -11.106 -15.010 466 2HG2 THR 61 2HG2 THR 61 -0.347 -10.343 -13.624 467 3HG2 THR 61 3HG2 THR 61 0.574 -11.826 -13.410 468 H ASN 62 H ASN 62 1.622 -13.053 -12.792 469 HA ASN 62 HA ASN 62 3.838 -14.765 -12.907 470 1HB ASN 62 2HB ASN 62 1.015 -14.953 -13.360 471 2HB ASN 62 1HB ASN 62 1.846 -15.824 -14.648 472 1HD2 ASN 62 1HD2 ASN 62 3.300 -17.617 -14.004 473 2HD2 ASN 62 2HD2 ASN 62 3.141 -18.341 -12.476 474 H ASP 63 H ASP 63 2.504 -12.766 -15.494 475 HA ASP 63 HA ASP 63 3.938 -14.166 -17.621 476 1HB ASP 63 2HB ASP 63 2.547 -11.469 -17.549 477 2HB ASP 63 1HB ASP 63 3.240 -12.187 -19.003 478 H GLY 64 H GLY 64 4.456 -11.221 -15.691 479 1HA GLY 64 2HA GLY 64 6.955 -10.900 -15.187 480 2HA GLY 64 1HA GLY 64 7.165 -10.965 -16.936 481 H VAL 65 H VAL 65 4.715 -9.309 -14.921 482 HA VAL 65 HA VAL 65 5.572 -6.734 -16.187 483 HB VAL 65 HB VAL 65 2.758 -7.469 -15.318 484 1HG1 VAL 65 1HG1 VAL 65 4.020 -4.994 -15.915 485 2HG1 VAL 65 2HG1 VAL 65 2.303 -5.291 -15.648 486 3HG1 VAL 65 3HG1 VAL 65 2.967 -5.374 -17.279 487 1HG2 VAL 65 1HG2 VAL 65 4.120 -7.566 -18.020 488 2HG2 VAL 65 2HG2 VAL 65 2.367 -7.466 -17.853 489 3HG2 VAL 65 3HG2 VAL 65 3.236 -8.857 -17.205 490 H GLY 66 H GLY 66 6.398 -5.377 -14.686 491 1HA GLY 66 2HA GLY 66 6.178 -5.893 -11.847 492 2HA GLY 66 1HA GLY 66 6.968 -4.502 -12.584 493 H VAL 67 H VAL 67 3.886 -5.792 -11.506 494 HA VAL 67 HA VAL 67 2.269 -3.493 -12.111 495 HB VAL 67 HB VAL 67 1.836 -5.446 -9.830 496 1HG1 VAL 67 1HG1 VAL 67 -0.564 -4.937 -10.352 497 2HG1 VAL 67 2HG1 VAL 67 -0.011 -3.712 -11.494 498 3HG1 VAL 67 3HG1 VAL 67 0.340 -3.538 -9.774 499 1HG2 VAL 67 1HG2 VAL 67 2.073 -6.893 -11.663 500 2HG2 VAL 67 2HG2 VAL 67 1.418 -5.715 -12.801 501 3HG2 VAL 67 3HG2 VAL 67 0.344 -6.551 -11.678 502 H ASN 68 H ASN 68 2.147 -1.559 -11.093 503 HA ASN 68 HA ASN 68 3.593 -1.241 -8.493 504 1HB ASN 68 2HB ASN 68 3.027 0.772 -10.694 505 2HB ASN 68 1HB ASN 68 3.796 1.165 -9.157 506 1HD2 ASN 68 1HD2 ASN 68 4.463 0.222 -12.348 507 2HD2 ASN 68 2HD2 ASN 68 6.048 -0.335 -12.116 508 HA PRO 69 HA PRO 69 -0.154 0.083 -6.597 509 1HB PRO 69 2HB PRO 69 0.840 1.891 -4.773 510 2HB PRO 69 1HB PRO 69 1.011 0.135 -4.605 511 1HG PRO 69 2HG PRO 69 3.060 2.155 -5.381 512 2HG PRO 69 1HG PRO 69 3.279 0.569 -4.623 513 1HD PRO 69 2HD PRO 69 3.695 1.182 -7.360 514 2HD PRO 69 1HD PRO 69 3.615 -0.444 -6.650 515 H ALA 70 H ALA 70 -0.466 1.207 -8.867 516 HA ALA 70 HA ALA 70 -0.941 4.114 -8.372 517 1HB ALA 70 1HB ALA 70 -0.009 4.761 -10.429 518 2HB ALA 70 2HB ALA 70 -0.076 3.124 -11.081 519 3HB ALA 70 3HB ALA 70 1.124 3.538 -9.856 520 H GLN 71 H GLN 71 -1.731 1.279 -10.408 521 HA GLN 71 HA GLN 71 -4.186 2.531 -11.411 522 1HB GLN 71 2HB GLN 71 -3.005 -0.245 -11.685 523 2HB GLN 71 1HB GLN 71 -4.555 0.206 -12.391 524 1HG GLN 71 2HG GLN 71 -3.294 0.814 -14.186 525 2HG GLN 71 1HG GLN 71 -2.978 2.271 -13.243 526 1HE2 GLN 71 1HE2 GLN 71 -1.630 -0.962 -14.019 527 2HE2 GLN 71 2HE2 GLN 71 -0.029 -0.561 -13.622 528 HA PRO 72 HA PRO 72 -6.934 1.015 -8.326 529 1HB PRO 72 2HB PRO 72 -9.187 0.552 -9.836 530 2HB PRO 72 1HB PRO 72 -8.620 2.170 -9.388 531 1HG PRO 72 2HG PRO 72 -8.451 0.785 -12.024 532 2HG PRO 72 1HG PRO 72 -8.509 2.519 -11.669 533 1HD PRO 72 2HD PRO 72 -6.190 1.052 -12.344 534 2HD PRO 72 1HD PRO 72 -6.222 2.687 -11.648 535 H ALA 73 H ALA 73 -7.894 -0.934 -7.492 536 HA ALA 73 HA ALA 73 -6.708 -3.390 -8.185 537 1HB ALA 73 1HB ALA 73 -9.373 -2.887 -6.830 538 2HB ALA 73 2HB ALA 73 -7.807 -3.063 -6.037 539 3HB ALA 73 3HB ALA 73 -8.540 -4.441 -6.855 540 H GLY 74 H GLY 74 -9.792 -2.016 -9.340 541 1HA GLY 74 2HA GLY 74 -10.761 -4.297 -10.735 542 2HA GLY 74 1HA GLY 74 -11.142 -2.629 -11.159 543 H ASN 75 H ASN 75 -8.692 -1.616 -11.904 544 HA ASN 75 HA ASN 75 -8.335 -2.708 -14.552 545 1HB ASN 75 2HB ASN 75 -7.475 -0.389 -13.083 546 2HB ASN 75 1HB ASN 75 -6.079 -1.119 -13.876 547 1HD2 ASN 75 1HD2 ASN 75 -6.076 -1.219 -16.231 548 2HD2 ASN 75 2HD2 ASN 75 -7.187 -0.331 -17.158 549 H ILE 76 H ILE 76 -6.496 -2.987 -11.523 550 HA ILE 76 HA ILE 76 -4.189 -4.307 -12.552 551 HB ILE 76 HB ILE 76 -5.544 -4.570 -9.847 552 1HG1 ILE 76 2HG1 ILE 76 -4.770 -2.271 -10.547 553 2HG1 ILE 76 1HG1 ILE 76 -3.963 -2.889 -9.110 554 1HG2 ILE 76 1HG2 ILE 76 -3.662 -6.294 -10.811 555 2HG2 ILE 76 2HG2 ILE 76 -3.827 -5.876 -9.107 556 3HG2 ILE 76 3HG2 ILE 76 -2.632 -5.050 -10.104 557 1HD1 ILE 76 1HD1 ILE 76 -2.472 -1.804 -10.904 558 2HD1 ILE 76 2HD1 ILE 76 -2.787 -3.244 -11.872 559 3HD1 ILE 76 3HD1 ILE 76 -1.977 -3.390 -10.313 560 H PHE 77 H PHE 77 -7.320 -5.598 -11.441 561 HA PHE 77 HA PHE 77 -6.591 -8.376 -11.838 562 1HB PHE 77 2HB PHE 77 -8.500 -7.355 -10.381 563 2HB PHE 77 1HB PHE 77 -9.424 -7.351 -11.882 564 HD1 PHE 77 HD1 PHE 77 -9.665 -9.539 -13.175 565 HD2 PHE 77 HD2 PHE 77 -8.195 -9.354 -9.143 566 HE1 PHE 77 HE1 PHE 77 -10.146 -11.953 -12.889 567 HE2 PHE 77 HE2 PHE 77 -8.677 -11.770 -8.858 568 HZ PHE 77 HZ PHE 77 -9.652 -13.070 -10.731 569 H LEU 78 H LEU 78 -8.295 -5.941 -13.799 570 HA LEU 78 HA LEU 78 -9.060 -7.724 -15.922 571 1HB LEU 78 2HB LEU 78 -8.690 -4.726 -15.771 572 2HB LEU 78 1HB LEU 78 -9.211 -5.534 -17.250 573 HG LEU 78 HG LEU 78 -10.619 -5.993 -14.615 574 1HD1 LEU 78 1HD1 LEU 78 -11.530 -4.025 -16.718 575 2HD1 LEU 78 2HD1 LEU 78 -10.536 -3.522 -15.350 576 3HD1 LEU 78 3HD1 LEU 78 -12.131 -4.224 -15.072 577 1HD2 LEU 78 1HD2 LEU 78 -11.169 -6.515 -17.532 578 2HD2 LEU 78 2HD2 LEU 78 -12.508 -6.371 -16.393 579 3HD2 LEU 78 3HD2 LEU 78 -11.289 -7.625 -16.165 580 H LYS 79 H LYS 79 -6.150 -5.754 -15.375 581 HA LYS 79 HA LYS 79 -5.026 -6.487 -18.000 582 1HB LYS 79 2HB LYS 79 -4.353 -4.612 -15.812 583 2HB LYS 79 1HB LYS 79 -2.972 -5.297 -16.669 584 1HG LYS 79 2HG LYS 79 -3.668 -4.422 -18.741 585 2HG LYS 79 1HG LYS 79 -5.319 -4.157 -18.177 586 1HD LYS 79 2HD LYS 79 -4.805 -2.112 -17.364 587 2HD LYS 79 1HD LYS 79 -3.370 -2.727 -16.544 588 1HE LYS 79 2HE LYS 79 -2.322 -2.801 -18.926 589 2HE LYS 79 1HE LYS 79 -3.634 -1.708 -19.368 590 1HZ LYS 79 1HZ LYS 79 -2.683 -0.652 -17.057 591 2HZ LYS 79 2HZ LYS 79 -2.295 -0.110 -18.618 592 3HZ LYS 79 3HZ LYS 79 -1.270 -1.202 -17.816 593 H HIS 80 H HIS 80 -3.879 -6.846 -14.622 594 HA HIS 80 HA HIS 80 -2.031 -8.976 -15.452 595 1HB HIS 80 2HB HIS 80 -2.594 -8.095 -12.614 596 2HB HIS 80 1HB HIS 80 -1.128 -8.834 -13.253 597 HD1 HIS 80 HD1 HIS 80 -0.030 -7.260 -15.336 598 HD2 HIS 80 HD2 HIS 80 -2.338 -5.361 -12.430 599 HE1 HIS 80 HE1 HIS 80 0.535 -4.794 -15.468 600 H GLY 81 H GLY 81 -4.584 -8.809 -12.919 601 1HA GLY 81 2HA GLY 81 -6.372 -10.637 -13.214 602 2HA GLY 81 1HA GLY 81 -5.004 -11.742 -13.337 603 H SER 82 H SER 82 -4.814 -12.871 -11.471 604 HA SER 82 HA SER 82 -5.110 -11.374 -8.896 605 1HB SER 82 2HB SER 82 -5.906 -13.567 -7.923 606 2HB SER 82 1HB SER 82 -7.011 -12.840 -9.083 607 HG SER 82 HG SER 82 -6.571 -15.134 -9.376 608 H GLU 83 H GLU 83 -3.644 -14.331 -10.336 609 HA GLU 83 HA GLU 83 -1.786 -14.760 -8.210 610 1HB GLU 83 2HB GLU 83 -2.383 -16.426 -10.011 611 2HB GLU 83 1HB GLU 83 -1.361 -15.506 -11.116 612 1HG GLU 83 2HG GLU 83 -0.150 -17.426 -10.081 613 2HG GLU 83 1HG GLU 83 0.585 -15.874 -9.684 614 H LEU 84 H LEU 84 -0.342 -13.296 -7.572 615 HA LEU 84 HA LEU 84 1.396 -11.959 -9.597 616 1HB LEU 84 2HB LEU 84 0.097 -10.665 -7.175 617 2HB LEU 84 1HB LEU 84 1.328 -9.901 -8.180 618 HG LEU 84 HG LEU 84 -1.072 -11.013 -9.563 619 1HD1 LEU 84 1HD1 LEU 84 -1.904 -8.467 -9.066 620 2HD1 LEU 84 2HD1 LEU 84 -1.136 -8.862 -7.528 621 3HD1 LEU 84 3HD1 LEU 84 -2.446 -9.868 -8.144 622 1HD2 LEU 84 1HD2 LEU 84 -0.664 -8.693 -10.728 623 2HD2 LEU 84 2HD2 LEU 84 0.455 -10.021 -11.036 624 3HD2 LEU 84 3HD2 LEU 84 0.886 -8.752 -9.889 625 H ARG 85 H ARG 85 3.384 -10.989 -8.395 626 HA ARG 85 HA ARG 85 4.175 -12.744 -6.103 627 1HB ARG 85 2HB ARG 85 5.425 -12.432 -8.753 628 2HB ARG 85 1HB ARG 85 6.549 -12.257 -7.405 629 1HG ARG 85 2HG ARG 85 6.200 -14.428 -6.652 630 2HG ARG 85 1HG ARG 85 4.594 -14.531 -7.375 631 1HD ARG 85 2HD ARG 85 7.167 -14.416 -8.973 632 2HD ARG 85 1HD ARG 85 6.319 -15.908 -8.575 633 HE ARG 85 HE ARG 85 5.657 -14.289 -10.770 634 1HH1 ARG 85 2HH1 ARG 85 4.347 -16.848 -9.296 635 2HH1 ARG 85 1HH1 ARG 85 2.686 -16.378 -9.427 636 1HH2 ARG 85 1HH2 ARG 85 3.404 -13.111 -10.364 637 2HH2 ARG 85 2HH2 ARG 85 2.151 -14.259 -10.033 638 H LEU 86 H LEU 86 5.643 -11.758 -4.596 639 HA LEU 86 HA LEU 86 5.682 -8.781 -4.778 640 1HB LEU 86 2HB LEU 86 4.733 -10.182 -2.743 641 2HB LEU 86 1HB LEU 86 6.433 -10.256 -2.280 642 HG LEU 86 HG LEU 86 5.683 -7.575 -3.129 643 1HD1 LEU 86 1HD1 LEU 86 3.812 -9.025 -1.410 644 2HD1 LEU 86 2HD1 LEU 86 3.632 -7.451 -2.185 645 3HD1 LEU 86 3HD1 LEU 86 4.458 -7.579 -0.631 646 1HD2 LEU 86 1HD2 LEU 86 6.532 -8.462 -0.373 647 2HD2 LEU 86 2HD2 LEU 86 6.923 -6.963 -1.216 648 3HD2 LEU 86 3HD2 LEU 86 7.670 -8.479 -1.721 649 H ILE 87 H ILE 87 7.581 -7.734 -5.052 650 HA ILE 87 HA ILE 87 10.129 -9.211 -4.530 651 HB ILE 87 HB ILE 87 11.056 -8.035 -6.578 652 1HG1 ILE 87 2HG1 ILE 87 8.274 -7.744 -7.618 653 2HG1 ILE 87 1HG1 ILE 87 8.834 -6.504 -6.497 654 1HG2 ILE 87 1HG2 ILE 87 8.993 -10.191 -6.599 655 2HG2 ILE 87 2HG2 ILE 87 10.696 -10.260 -7.051 656 3HG2 ILE 87 3HG2 ILE 87 9.518 -9.553 -8.157 657 1HD1 ILE 87 1HD1 ILE 87 10.988 -6.900 -8.246 658 2HD1 ILE 87 2HD1 ILE 87 9.877 -5.531 -8.242 659 3HD1 ILE 87 3HD1 ILE 87 9.560 -6.920 -9.280 660 HA PRO 88 HA PRO 88 11.270 -5.499 -2.428 661 1HB PRO 88 2HB PRO 88 14.006 -5.825 -2.486 662 2HB PRO 88 1HB PRO 88 12.935 -6.735 -1.407 663 1HG PRO 88 2HG PRO 88 14.316 -7.649 -3.890 664 2HG PRO 88 1HG PRO 88 13.814 -8.588 -2.475 665 1HD PRO 88 2HD PRO 88 12.458 -8.498 -4.947 666 2HD PRO 88 1HD PRO 88 11.790 -9.112 -3.420 667 H ARG 89 H ARG 89 10.645 -3.897 -3.962 668 HA ARG 89 HA ARG 89 12.777 -3.041 -5.884 669 1HB ARG 89 2HB ARG 89 10.107 -3.811 -6.413 670 2HB ARG 89 1HB ARG 89 10.155 -2.058 -6.595 671 1HG ARG 89 2HG ARG 89 12.507 -2.994 -7.823 672 2HG ARG 89 1HG ARG 89 11.241 -4.113 -8.329 673 1HD ARG 89 2HD ARG 89 10.060 -2.490 -9.455 674 2HD ARG 89 1HD ARG 89 10.598 -1.200 -8.379 675 HE ARG 89 HE ARG 89 12.148 -2.295 -10.664 676 1HH1 ARG 89 1HH2 ARG 89 13.867 -1.484 -8.317 677 2HH1 ARG 89 2HH2 ARG 89 14.219 0.168 -8.700 678 1HH2 ARG 89 2HH1 ARG 89 11.671 0.447 -11.037 679 2HH2 ARG 89 1HH1 ARG 89 12.978 1.265 -10.247 680 H ASP 90 H ASP 90 13.502 -0.970 -5.605 681 HA ASP 90 HA ASP 90 12.534 0.644 -3.412 682 1HB ASP 90 2HB ASP 90 14.085 2.380 -4.273 683 2HB ASP 90 1HB ASP 90 14.874 0.810 -4.142 684 H ARG 91 H ARG 91 11.296 2.569 -3.496 685 HA ARG 91 HA ARG 91 9.535 2.759 -5.876 686 1HB ARG 91 2HB ARG 91 8.900 2.746 -3.256 687 2HB ARG 91 1HB ARG 91 9.073 4.484 -3.496 688 1HG ARG 91 2HG ARG 91 6.817 4.115 -4.023 689 2HG ARG 91 1HG ARG 91 7.588 4.086 -5.608 690 1HD ARG 91 2HD ARG 91 7.746 1.451 -4.522 691 2HD ARG 91 1HD ARG 91 6.083 2.010 -4.338 692 HE ARG 91 HE ARG 91 6.259 2.590 -6.852 693 1HH1 ARG 91 1HH2 ARG 91 5.825 -0.350 -6.208 694 2HH1 ARG 91 2HH2 ARG 91 7.010 -1.099 -7.225 695 1HH2 ARG 91 2HH1 ARG 91 8.791 1.844 -7.764 696 2HH2 ARG 91 1HH1 ARG 91 8.701 0.149 -8.109 697 H VAL 92 H VAL 92 10.106 4.197 -7.417 698 HA VAL 92 HA VAL 92 11.682 6.606 -6.628 699 HB VAL 92 HB VAL 92 11.241 5.392 -9.381 700 1HG1 VAL 92 1HG1 VAL 92 13.305 7.458 -8.593 701 2HG1 VAL 92 2HG1 VAL 92 11.700 7.926 -9.155 702 3HG1 VAL 92 3HG1 VAL 92 12.769 7.006 -10.211 703 1HG2 VAL 92 1HG2 VAL 92 12.646 3.878 -8.240 704 2HG2 VAL 92 2HG2 VAL 92 13.453 5.160 -7.337 705 3HG2 VAL 92 3HG2 VAL 92 13.785 4.947 -9.057 706 H GLY 93 H GLY 93 9.772 7.716 -5.827 707 1HA GLY 93 2HA GLY 93 7.849 8.565 -7.957 708 2HA GLY 93 1HA GLY 93 7.487 8.572 -6.230 709 H HIS 94 HN HIS 94 10.293 9.804 -8.075 710 HA HIS 94 HA HIS 94 9.594 12.579 -7.377 711 1HB HIS 94 2HB HIS 94 11.874 12.937 -6.323 712 2HB HIS 94 1HB HIS 94 10.751 11.978 -5.361 713 HD1 HIS 94 HD1 HIS 94 13.914 11.706 -7.368 714 HD2 HIS 94 HD2 HIS 94 11.425 9.214 -5.138 715 HE1 HIS 94 HE1 HIS 94 15.168 9.529 -7.061 Start of MODEL 3 1 1H MET 1 1H MET 1 -20.666 -11.845 -16.695 2 2H MET 1 2H MET 1 -21.572 -11.143 -15.440 3 3H MET 1 3H MET 1 -19.876 -11.093 -15.397 4 HA MET 1 HA MET 1 -20.545 -9.947 -17.808 5 1HB MET 1 2HB MET 1 -22.868 -9.871 -16.539 6 2HB MET 1 1HB MET 1 -22.120 -8.514 -15.696 7 1HG MET 1 2HG MET 1 -21.450 -7.825 -18.197 8 2HG MET 1 1HG MET 1 -22.895 -8.771 -18.565 9 1HE MET 1 1HE MET 1 -25.413 -6.200 -18.470 10 2HE MET 1 2HE MET 1 -25.079 -7.922 -18.625 11 3HE MET 1 3HE MET 1 -24.154 -6.764 -19.574 12 H SER 2 H SER 2 -20.558 -8.711 -14.436 13 HA SER 2 HA SER 2 -18.266 -6.960 -15.143 14 1HB SER 2 2HB SER 2 -20.534 -6.735 -13.379 15 2HB SER 2 1HB SER 2 -19.055 -6.562 -12.442 16 HG SER 2 HG SER 2 -20.102 -4.974 -14.470 17 H GLY 3 H GLY 3 -16.248 -7.197 -14.195 18 1HA GLY 3 2HA GLY 3 -15.901 -9.475 -12.275 19 2HA GLY 3 1HA GLY 3 -14.748 -9.151 -13.572 20 H GLY 4 H GLY 4 -13.734 -6.936 -13.532 21 1HA GLY 4 2HA GLY 4 -13.395 -5.946 -10.726 22 2HA GLY 4 1HA GLY 4 -12.033 -6.100 -11.838 23 H THR 5 H THR 5 -15.339 -4.736 -12.097 24 HA THR 5 HA THR 5 -14.138 -2.116 -12.807 25 HB THR 5 HB THR 5 -14.448 -3.194 -14.968 26 HG1 THR 5 HG1 THR 5 -15.160 -1.352 -15.616 27 1HG2 THR 5 1HG2 THR 5 -16.444 -4.223 -15.679 28 2HG2 THR 5 2HG2 THR 5 -17.395 -3.472 -14.398 29 3HG2 THR 5 3HG2 THR 5 -16.267 -4.772 -14.013 30 H ALA 6 H ALA 6 -17.192 -3.910 -12.200 31 HA ALA 6 HA ALA 6 -18.118 -1.549 -10.635 32 1HB ALA 6 1HB ALA 6 -19.248 -2.536 -13.121 33 2HB ALA 6 2HB ALA 6 -19.658 -1.082 -12.212 34 3HB ALA 6 3HB ALA 6 -20.429 -2.617 -11.814 35 H ALA 7 H ALA 7 -19.019 -2.109 -8.707 36 HA ALA 7 HA ALA 7 -19.260 -4.985 -8.060 37 1HB ALA 7 1HB ALA 7 -19.848 -3.858 -5.729 38 2HB ALA 7 2HB ALA 7 -19.105 -2.442 -6.476 39 3HB ALA 7 3HB ALA 7 -18.177 -3.930 -6.290 40 H THR 8 H THR 8 -21.191 -5.777 -8.837 41 HA THR 8 HA THR 8 -23.680 -4.365 -7.961 42 HB THR 8 HB THR 8 -23.245 -5.803 -10.605 43 HG1 THR 8 HG1 THR 8 -22.543 -3.904 -11.134 44 1HG2 THR 8 1HG2 THR 8 -25.650 -4.681 -9.214 45 2HG2 THR 8 2HG2 THR 8 -25.504 -6.145 -10.186 46 3HG2 THR 8 3HG2 THR 8 -25.555 -4.566 -10.972 47 H THR 9 H THR 9 -22.981 -7.492 -9.574 48 HA THR 9 HA THR 9 -24.019 -8.900 -7.160 49 HB THR 9 HB THR 9 -24.945 -9.453 -10.002 50 HG1 THR 9 HG1 THR 9 -26.260 -8.325 -7.756 51 1HG2 THR 9 1HG2 THR 9 -26.596 -10.933 -8.696 52 2HG2 THR 9 2HG2 THR 9 -25.487 -10.764 -7.335 53 3HG2 THR 9 3HG2 THR 9 -24.937 -11.518 -8.833 54 H ALA 10 H ALA 10 -22.889 -9.663 -10.487 55 HA ALA 10 HA ALA 10 -21.202 -11.835 -9.375 56 1HB ALA 10 1HB ALA 10 -21.502 -12.833 -11.382 57 2HB ALA 10 2HB ALA 10 -20.963 -11.393 -12.247 58 3HB ALA 10 3HB ALA 10 -22.651 -11.548 -11.759 59 H GLY 11 H GLY 11 -19.020 -11.595 -9.118 60 1HA GLY 11 2HA GLY 11 -16.883 -10.631 -9.183 61 2HA GLY 11 1HA GLY 11 -17.334 -9.954 -10.749 62 H SER 12 H SER 12 -18.318 -9.443 -7.335 63 HA SER 12 HA SER 12 -18.684 -6.576 -7.837 64 1HB SER 12 2HB SER 12 -19.196 -8.451 -5.580 65 2HB SER 12 1HB SER 12 -18.918 -6.762 -5.161 66 HG SER 12 HG SER 12 -21.160 -7.588 -5.777 67 H LYS 13 H LYS 13 -16.421 -8.639 -6.010 68 HA LYS 13 HA LYS 13 -14.597 -6.274 -5.778 69 1HB LYS 13 2HB LYS 13 -14.803 -8.696 -3.957 70 2HB LYS 13 1HB LYS 13 -13.634 -7.389 -3.783 71 1HG LYS 13 2HG LYS 13 -15.929 -5.946 -3.892 72 2HG LYS 13 1HG LYS 13 -16.535 -7.428 -3.152 73 1HD LYS 13 2HD LYS 13 -13.985 -6.558 -2.004 74 2HD LYS 13 1HD LYS 13 -15.261 -5.359 -1.809 75 1HE LYS 13 2HE LYS 13 -16.479 -6.687 -0.403 76 2HE LYS 13 1HE LYS 13 -16.042 -8.166 -1.257 77 1HZ LYS 13 1HZ LYS 13 -14.459 -6.673 0.748 78 2HZ LYS 13 2HZ LYS 13 -13.741 -7.804 -0.298 79 3HZ LYS 13 3HZ LYS 13 -14.950 -8.297 0.789 80 H VAL 14 H VAL 14 -12.258 -6.850 -5.876 81 HA VAL 14 HA VAL 14 -11.804 -9.180 -7.699 82 HB VAL 14 HB VAL 14 -9.727 -7.874 -8.399 83 1HG1 VAL 14 1HG1 VAL 14 -11.970 -7.973 -9.629 84 2HG1 VAL 14 2HG1 VAL 14 -10.936 -6.595 -10.007 85 3HG1 VAL 14 3HG1 VAL 14 -12.312 -6.393 -8.922 86 1HG2 VAL 14 1HG2 VAL 14 -9.657 -5.500 -7.912 87 2HG2 VAL 14 2HG2 VAL 14 -9.765 -6.363 -6.378 88 3HG2 VAL 14 3HG2 VAL 14 -11.195 -5.583 -7.053 89 H THR 15 H THR 15 -10.422 -10.754 -7.021 90 HA THR 15 HA THR 15 -8.993 -10.331 -4.434 91 HB THR 15 HB THR 15 -9.535 -12.953 -5.859 92 HG1 THR 15 HG1 THR 15 -11.489 -12.760 -5.167 93 1HG2 THR 15 1HG2 THR 15 -7.717 -12.683 -4.023 94 2HG2 THR 15 2HG2 THR 15 -8.885 -13.994 -3.853 95 3HG2 THR 15 3HG2 THR 15 -9.079 -12.514 -2.914 96 H PHE 16 H PHE 16 -6.755 -10.682 -4.294 97 HA PHE 16 HA PHE 16 -5.340 -11.301 -6.860 98 1HB PHE 16 2HB PHE 16 -4.442 -9.277 -4.787 99 2HB PHE 16 1HB PHE 16 -3.660 -9.623 -6.328 100 HD1 PHE 16 HD1 PHE 16 -5.128 -9.328 -8.473 101 HD2 PHE 16 HD2 PHE 16 -6.064 -7.585 -4.660 102 HE1 PHE 16 HE1 PHE 16 -6.596 -7.672 -9.590 103 HE2 PHE 16 HE2 PHE 16 -7.530 -5.929 -5.779 104 HZ PHE 16 HZ PHE 16 -7.794 -5.972 -8.243 105 H LYS 17 H LYS 17 -3.631 -12.717 -6.682 106 HA LYS 17 HA LYS 17 -3.008 -13.738 -3.937 107 1HB LYS 17 2HB LYS 17 -3.363 -15.069 -6.579 108 2HB LYS 17 1HB LYS 17 -2.081 -15.703 -5.546 109 1HG LYS 17 2HG LYS 17 -3.560 -16.373 -3.887 110 2HG LYS 17 1HG LYS 17 -4.765 -15.165 -4.331 111 1HD LYS 17 2HD LYS 17 -4.859 -16.545 -6.589 112 2HD LYS 17 1HD LYS 17 -4.221 -17.838 -5.577 113 1HE LYS 17 2HE LYS 17 -6.260 -18.192 -4.683 114 2HE LYS 17 1HE LYS 17 -6.353 -16.507 -4.174 115 1HZ LYS 17 1HZ LYS 17 -7.178 -15.893 -6.328 116 2HZ LYS 17 2HZ LYS 17 -8.142 -17.141 -5.703 117 3HZ LYS 17 3HZ LYS 17 -6.991 -17.476 -6.906 118 H ILE 18 H ILE 18 -1.196 -12.588 -3.351 119 HA ILE 18 HA ILE 18 0.995 -12.284 -5.350 120 HB ILE 18 HB ILE 18 0.644 -10.960 -2.641 121 1HG1 ILE 18 2HG1 ILE 18 0.478 -9.081 -4.744 122 2HG1 ILE 18 1HG1 ILE 18 -0.549 -10.428 -5.231 123 1HG2 ILE 18 1HG2 ILE 18 2.777 -10.308 -2.907 124 2HG2 ILE 18 2HG2 ILE 18 2.319 -9.489 -4.401 125 3HG2 ILE 18 3HG2 ILE 18 2.874 -11.162 -4.447 126 1HD1 ILE 18 1HD1 ILE 18 -0.786 -9.590 -2.396 127 2HD1 ILE 18 2HD1 ILE 18 -2.040 -10.080 -3.534 128 3HD1 ILE 18 3HD1 ILE 18 -1.390 -8.442 -3.589 129 H THR 19 H THR 19 2.654 -13.702 -5.231 130 HA THR 19 HA THR 19 3.171 -15.090 -2.628 131 HB THR 19 HB THR 19 4.091 -15.991 -5.373 132 HG1 THR 19 HG1 THR 19 2.187 -16.786 -5.688 133 1HG2 THR 19 1HG2 THR 19 5.025 -16.797 -3.012 134 2HG2 THR 19 2HG2 THR 19 4.777 -17.934 -4.334 135 3HG2 THR 19 3HG2 THR 19 3.575 -17.799 -3.050 136 H LEU 20 H LEU 20 5.099 -14.630 -1.635 137 HA LEU 20 HA LEU 20 6.879 -12.635 -2.703 138 1HB LEU 20 2HB LEU 20 6.487 -13.873 -0.213 139 2HB LEU 20 1HB LEU 20 8.129 -14.314 -0.680 140 HG LEU 20 HG LEU 20 7.215 -11.469 -1.002 141 1HD1 LEU 20 1HD1 LEU 20 8.363 -11.215 1.346 142 2HD1 LEU 20 2HD1 LEU 20 7.894 -12.905 1.547 143 3HD1 LEU 20 3HD1 LEU 20 6.665 -11.674 1.253 144 1HD2 LEU 20 1HD2 LEU 20 9.616 -11.053 -0.637 145 2HD2 LEU 20 2HD2 LEU 20 9.381 -12.221 -1.936 146 3HD2 LEU 20 3HD2 LEU 20 9.873 -12.771 -0.334 147 H THR 21 H THR 21 8.141 -13.024 -4.449 148 HA THR 21 HA THR 21 9.181 -15.753 -4.945 149 HB THR 21 HB THR 21 8.108 -14.441 -6.789 150 HG1 THR 21 HG1 THR 21 9.357 -15.729 -7.851 151 1HG2 THR 21 1HG2 THR 21 9.021 -12.469 -7.636 152 2HG2 THR 21 2HG2 THR 21 10.604 -12.778 -6.923 153 3HG2 THR 21 3HG2 THR 21 9.264 -12.259 -5.902 154 H SER 22 H SER 22 10.356 -12.564 -3.988 155 HA SER 22 HA SER 22 13.147 -13.060 -4.521 156 1HB SER 22 2HB SER 22 13.540 -11.171 -2.936 157 2HB SER 22 1HB SER 22 12.351 -10.783 -4.175 158 HG SER 22 HG SER 22 11.281 -10.221 -2.411 159 H ASP 23 H ASP 23 11.105 -13.540 -1.644 160 HA ASP 23 HA ASP 23 13.389 -14.861 -0.273 161 1HB ASP 23 2HB ASP 23 11.779 -13.042 0.774 162 2HB ASP 23 1HB ASP 23 10.715 -14.427 1.022 163 HA PRO 24 HA PRO 24 11.479 -18.707 -1.453 164 1HB PRO 24 2HB PRO 24 13.445 -20.288 -0.359 165 2HB PRO 24 1HB PRO 24 13.598 -19.468 -1.922 166 1HG PRO 24 2HG PRO 24 14.873 -18.788 0.684 167 2HG PRO 24 1HG PRO 24 15.423 -18.431 -0.962 168 1HD PRO 24 2HD PRO 24 14.156 -16.611 0.804 169 2HD PRO 24 1HD PRO 24 14.435 -16.366 -0.934 170 H LYS 25 H LYS 25 10.615 -20.615 -0.321 171 HA LYS 25 HA LYS 25 9.480 -21.672 1.421 172 1HB LYS 25 2HB LYS 25 12.019 -20.846 2.506 173 2HB LYS 25 1HB LYS 25 10.782 -20.685 3.752 174 1HG LYS 25 2HG LYS 25 10.019 -23.054 2.941 175 2HG LYS 25 1HG LYS 25 11.636 -23.144 2.245 176 1HD LYS 25 2HD LYS 25 12.313 -22.266 4.690 177 2HD LYS 25 1HD LYS 25 10.808 -23.082 5.112 178 1HE LYS 25 2HE LYS 25 11.939 -25.033 5.101 179 2HE LYS 25 1HE LYS 25 12.148 -24.842 3.364 180 1HZ LYS 25 1HZ LYS 25 13.969 -23.854 5.489 181 2HZ LYS 25 2HZ LYS 25 14.146 -23.495 3.839 182 3HZ LYS 25 3HZ LYS 25 14.280 -25.100 4.381 183 H LEU 26 H LEU 26 8.003 -19.703 0.563 184 HA LEU 26 HA LEU 26 6.838 -18.504 3.005 185 1HB LEU 26 2HB LEU 26 8.449 -17.011 1.160 186 2HB LEU 26 1HB LEU 26 6.781 -16.454 1.020 187 HG LEU 26 HG LEU 26 7.467 -16.873 3.802 188 1HD1 LEU 26 1HD1 LEU 26 9.047 -14.819 3.818 189 2HD1 LEU 26 2HD1 LEU 26 9.337 -15.205 2.122 190 3HD1 LEU 26 3HD1 LEU 26 9.736 -16.380 3.374 191 1HD2 LEU 26 1HD2 LEU 26 5.872 -15.282 3.787 192 2HD2 LEU 26 2HD2 LEU 26 6.112 -14.991 2.063 193 3HD2 LEU 26 3HD2 LEU 26 7.099 -14.136 3.248 194 HA PRO 27 HA PRO 27 3.217 -19.710 0.719 195 1HB PRO 27 2HB PRO 27 1.392 -18.753 2.543 196 2HB PRO 27 1HB PRO 27 2.286 -20.268 2.748 197 1HG PRO 27 2HG PRO 27 2.693 -17.650 4.114 198 2HG PRO 27 1HG PRO 27 3.074 -19.284 4.681 199 1HD PRO 27 2HD PRO 27 4.932 -17.422 3.642 200 2HD PRO 27 1HD PRO 27 5.221 -19.157 3.888 201 H PHE 28 H PHE 28 1.429 -18.695 -0.419 202 HA PHE 28 HA PHE 28 1.952 -15.929 -1.210 203 1HB PHE 28 2HB PHE 28 0.126 -16.261 -2.820 204 2HB PHE 28 1HB PHE 28 1.240 -17.624 -2.869 205 HD1 PHE 28 HD1 PHE 28 0.579 -19.829 -2.067 206 HD2 PHE 28 HD2 PHE 28 -2.117 -16.492 -1.814 207 HE1 PHE 28 HE1 PHE 28 -1.296 -21.379 -1.591 208 HE2 PHE 28 HE2 PHE 28 -3.990 -18.046 -1.335 209 HZ PHE 28 HZ PHE 28 -3.579 -20.487 -1.224 210 H LYS 29 H LYS 29 0.319 -14.213 -1.135 211 HA LYS 29 HA LYS 29 -1.463 -14.454 1.259 212 1HB LYS 29 2HB LYS 29 0.564 -12.624 0.792 213 2HB LYS 29 1HB LYS 29 -0.880 -11.736 0.310 214 1HG LYS 29 2HG LYS 29 -1.630 -13.032 2.672 215 2HG LYS 29 1HG LYS 29 0.018 -12.488 2.978 216 1HD LYS 29 2HD LYS 29 -1.341 -10.654 3.620 217 2HD LYS 29 1HD LYS 29 -0.732 -10.218 2.024 218 1HE LYS 29 2HE LYS 29 -2.814 -10.168 1.165 219 2HE LYS 29 1HE LYS 29 -3.187 -11.759 1.819 220 1HZ LYS 29 1HZ LYS 29 -4.062 -10.888 3.709 221 2HZ LYS 29 2HZ LYS 29 -4.429 -9.619 2.640 222 3HZ LYS 29 3HZ LYS 29 -3.088 -9.499 3.675 223 H VAL 30 H VAL 30 -3.626 -14.161 0.942 224 HA VAL 30 HA VAL 30 -4.544 -13.460 -1.802 225 HB VAL 30 HB VAL 30 -6.126 -14.604 0.526 226 1HG1 VAL 30 1HG1 VAL 30 -6.765 -14.507 -2.437 227 2HG1 VAL 30 2HG1 VAL 30 -7.419 -13.382 -1.246 228 3HG1 VAL 30 3HG1 VAL 30 -7.814 -15.098 -1.148 229 1HG2 VAL 30 1HG2 VAL 30 -4.825 -16.433 0.054 230 2HG2 VAL 30 2HG2 VAL 30 -4.394 -15.841 -1.552 231 3HG2 VAL 30 3HG2 VAL 30 -5.957 -16.615 -1.287 232 H LEU 31 H LEU 31 -5.284 -11.428 -2.158 233 HA LEU 31 HA LEU 31 -6.241 -9.834 0.190 234 1HB LEU 31 2HB LEU 31 -4.240 -9.253 -1.762 235 2HB LEU 31 1HB LEU 31 -5.592 -8.158 -2.049 236 HG LEU 31 HG LEU 31 -4.970 -8.479 0.799 237 1HD1 LEU 31 1HD1 LEU 31 -2.814 -7.675 0.881 238 2HD1 LEU 31 2HD1 LEU 31 -2.963 -6.819 -0.653 239 3HD1 LEU 31 3HD1 LEU 31 -2.708 -8.563 -0.639 240 1HD2 LEU 31 1HD2 LEU 31 -5.149 -6.089 -1.066 241 2HD2 LEU 31 2HD2 LEU 31 -5.109 -6.009 0.696 242 3HD2 LEU 31 3HD2 LEU 31 -6.480 -6.759 -0.121 243 H SER 32 H SER 32 -8.445 -9.913 0.122 244 HA SER 32 HA SER 32 -9.811 -9.747 -2.521 245 1HB SER 32 2HB SER 32 -10.303 -11.335 -0.284 246 2HB SER 32 1HB SER 32 -11.538 -10.085 -0.185 247 HG SER 32 HG SER 32 -12.400 -11.561 -1.524 248 H VAL 33 H VAL 33 -9.990 -7.610 -3.065 249 HA VAL 33 HA VAL 33 -11.407 -5.821 -1.141 250 HB VAL 33 HB VAL 33 -9.923 -3.935 -1.965 251 1HG1 VAL 33 1HG1 VAL 33 -9.393 -4.588 0.203 252 2HG1 VAL 33 2HG1 VAL 33 -7.864 -4.887 -0.622 253 3HG1 VAL 33 3HG1 VAL 33 -8.959 -6.226 -0.284 254 1HG2 VAL 33 1HG2 VAL 33 -7.881 -4.427 -3.096 255 2HG2 VAL 33 2HG2 VAL 33 -9.122 -5.324 -3.971 256 3HG2 VAL 33 3HG2 VAL 33 -8.066 -6.162 -2.834 257 HA PRO 34 HA PRO 34 -13.822 -4.752 -4.658 258 1HB PRO 34 2HB PRO 34 -14.525 -2.171 -4.011 259 2HB PRO 34 1HB PRO 34 -15.222 -3.604 -3.238 260 1HG PRO 34 2HG PRO 34 -13.201 -1.687 -2.166 261 2HG PRO 34 1HG PRO 34 -14.382 -2.678 -1.292 262 1HD PRO 34 2HD PRO 34 -11.631 -3.248 -1.549 263 2HD PRO 34 1HD PRO 34 -12.882 -4.395 -1.022 264 H GLU 35 H GLU 35 -13.826 -3.435 -6.611 265 HA GLU 35 HA GLU 35 -11.264 -2.691 -7.591 266 1HB GLU 35 2HB GLU 35 -12.462 -1.724 -9.517 267 2HB GLU 35 1HB GLU 35 -13.122 -3.299 -9.086 268 1HG GLU 35 2HG GLU 35 -14.392 -0.970 -7.752 269 2HG GLU 35 1HG GLU 35 -14.657 -1.093 -9.489 270 H SER 36 H SER 36 -13.557 -0.850 -5.715 271 HA SER 36 HA SER 36 -12.806 1.800 -6.441 272 1HB SER 36 2HB SER 36 -14.102 0.516 -4.091 273 2HB SER 36 1HB SER 36 -13.396 2.107 -3.822 274 HG SER 36 HG SER 36 -15.639 2.035 -4.601 275 H THR 37 H THR 37 -11.396 -0.444 -4.036 276 HA THR 37 HA THR 37 -9.469 1.450 -3.021 277 HB THR 37 HB THR 37 -8.306 -0.572 -2.113 278 HG1 THR 37 HG1 THR 37 -8.613 -2.249 -3.352 279 1HG2 THR 37 1HG2 THR 37 -10.348 0.534 -1.046 280 2HG2 THR 37 2HG2 THR 37 -10.010 -1.124 -0.548 281 3HG2 THR 37 3HG2 THR 37 -11.291 -0.798 -1.716 282 HA PRO 38 HA PRO 38 -6.686 1.341 -6.459 283 1HB PRO 38 2HB PRO 38 -4.695 2.819 -5.277 284 2HB PRO 38 1HB PRO 38 -6.183 3.524 -5.931 285 1HG PRO 38 2HG PRO 38 -5.409 3.088 -3.086 286 2HG PRO 38 1HG PRO 38 -6.517 4.285 -3.777 287 1HD PRO 38 2HD PRO 38 -7.265 1.889 -2.459 288 2HD PRO 38 1HD PRO 38 -8.332 2.936 -3.419 289 H PHE 39 H PHE 39 -4.451 0.591 -6.947 290 HA PHE 39 HA PHE 39 -3.765 -1.841 -5.578 291 1HB PHE 39 2HB PHE 39 -3.229 -1.105 -8.023 292 2HB PHE 39 1HB PHE 39 -1.812 -0.335 -7.311 293 HD1 PHE 39 HD1 PHE 39 -3.644 -3.587 -6.819 294 HD2 PHE 39 HD2 PHE 39 0.121 -1.621 -7.468 295 HE1 PHE 39 HE1 PHE 39 -2.486 -5.778 -6.751 296 HE2 PHE 39 HE2 PHE 39 1.277 -3.813 -7.399 297 HZ PHE 39 HZ PHE 39 -0.027 -5.891 -7.041 298 H THR 40 H THR 40 -2.950 1.477 -4.966 299 HA THR 40 HA THR 40 -0.433 1.151 -3.646 300 HB THR 40 HB THR 40 -1.115 3.261 -2.406 301 HG1 THR 40 HG1 THR 40 -3.138 3.755 -2.409 302 1HG2 THR 40 1HG2 THR 40 0.032 3.826 -4.317 303 2HG2 THR 40 2HG2 THR 40 -1.541 4.504 -4.735 304 3HG2 THR 40 3HG2 THR 40 -1.063 2.929 -5.367 305 H ALA 41 H ALA 41 -3.789 1.004 -2.441 306 HA ALA 41 HA ALA 41 -3.023 0.380 0.291 307 1HB ALA 41 1HB ALA 41 -5.208 1.405 -0.248 308 2HB ALA 41 2HB ALA 41 -5.421 -0.128 0.597 309 3HB ALA 41 3HB ALA 41 -5.664 -0.042 -1.149 310 H VAL 42 H VAL 42 -3.973 -1.521 -2.569 311 HA VAL 42 HA VAL 42 -4.143 -4.075 -1.284 312 HB VAL 42 HB VAL 42 -3.325 -3.402 -4.134 313 1HG1 VAL 42 1HG1 VAL 42 -4.370 -5.799 -4.421 314 2HG1 VAL 42 2HG1 VAL 42 -3.958 -5.976 -2.715 315 3HG1 VAL 42 3HG1 VAL 42 -2.693 -5.638 -3.897 316 1HG2 VAL 42 1HG2 VAL 42 -6.016 -4.466 -3.398 317 2HG2 VAL 42 2HG2 VAL 42 -5.565 -3.344 -4.681 318 3HG2 VAL 42 3HG2 VAL 42 -5.687 -2.775 -3.017 319 H LEU 43 H LEU 43 -1.410 -2.450 -2.916 320 HA LEU 43 HA LEU 43 0.523 -4.521 -2.444 321 1HB LEU 43 2HB LEU 43 0.685 -2.542 -4.069 322 2HB LEU 43 1HB LEU 43 1.139 -1.567 -2.672 323 HG LEU 43 HG LEU 43 2.641 -4.071 -2.797 324 1HD1 LEU 43 1HD1 LEU 43 4.076 -3.149 -4.736 325 2HD1 LEU 43 2HD1 LEU 43 2.662 -2.180 -5.151 326 3HD1 LEU 43 3HD1 LEU 43 2.559 -3.941 -5.161 327 1HD2 LEU 43 1HD2 LEU 43 4.463 -2.077 -2.915 328 2HD2 LEU 43 2HD2 LEU 43 3.656 -2.537 -1.417 329 3HD2 LEU 43 3HD2 LEU 43 3.069 -1.159 -2.347 330 H LYS 44 H LYS 44 -0.519 -1.713 -0.539 331 HA LYS 44 HA LYS 44 1.548 -1.831 1.448 332 1HB LYS 44 2HB LYS 44 -1.225 -0.670 1.343 333 2HB LYS 44 1HB LYS 44 -0.352 -0.709 2.875 334 1HG LYS 44 2HG LYS 44 1.383 0.230 0.749 335 2HG LYS 44 1HG LYS 44 -0.083 1.208 0.830 336 1HD LYS 44 2HD LYS 44 0.310 1.844 3.060 337 2HD LYS 44 1HD LYS 44 1.429 0.510 3.342 338 1HE LYS 44 2HE LYS 44 3.049 1.543 1.780 339 2HE LYS 44 1HE LYS 44 1.936 2.887 1.527 340 1HZ LYS 44 1HZ LYS 44 3.671 3.342 3.200 341 2HZ LYS 44 2HZ LYS 44 3.034 2.103 4.171 342 3HZ LYS 44 3HZ LYS 44 2.099 3.478 3.822 343 H PHE 45 H PHE 45 -1.783 -3.155 1.446 344 HA PHE 45 HA PHE 45 -1.600 -4.478 3.969 345 1HB PHE 45 2HB PHE 45 -3.631 -4.041 2.284 346 2HB PHE 45 1HB PHE 45 -3.247 -5.687 1.786 347 HD1 PHE 45 HD1 PHE 45 -4.664 -7.240 2.785 348 HD2 PHE 45 HD2 PHE 45 -3.282 -3.887 5.090 349 HE1 PHE 45 HE1 PHE 45 -5.856 -8.114 4.776 350 HE2 PHE 45 HE2 PHE 45 -4.473 -4.763 7.079 351 HZ PHE 45 HZ PHE 45 -5.760 -6.876 6.923 352 H ALA 46 H ALA 46 -0.838 -5.602 0.670 353 HA ALA 46 HA ALA 46 -0.271 -8.327 1.387 354 1HB ALA 46 1HB ALA 46 1.018 -8.336 -0.790 355 2HB ALA 46 2HB ALA 46 0.672 -6.613 -0.927 356 3HB ALA 46 3HB ALA 46 -0.650 -7.780 -0.931 357 H ALA 47 H ALA 47 1.881 -5.493 0.969 358 HA ALA 47 HA ALA 47 4.306 -6.885 1.632 359 1HB ALA 47 1HB ALA 47 4.863 -4.320 2.340 360 2HB ALA 47 2HB ALA 47 3.461 -4.063 1.303 361 3HB ALA 47 3HB ALA 47 4.883 -4.894 0.673 362 H GLU 48 H GLU 48 1.939 -5.115 3.614 363 HA GLU 48 HA GLU 48 3.412 -5.070 6.052 364 1HB GLU 48 2HB GLU 48 0.631 -4.665 5.223 365 2HB GLU 48 1HB GLU 48 0.763 -5.377 6.831 366 1HG GLU 48 2HG GLU 48 0.931 -3.128 7.372 367 2HG GLU 48 1HG GLU 48 2.633 -3.520 7.139 368 H GLU 49 H GLU 49 1.133 -7.516 4.779 369 HA GLU 49 HA GLU 49 1.468 -9.291 7.056 370 1HB GLU 49 2HB GLU 49 0.108 -9.409 4.405 371 2HB GLU 49 1HB GLU 49 0.518 -10.948 5.161 372 1HG GLU 49 2HG GLU 49 -1.582 -10.551 6.083 373 2HG GLU 49 1HG GLU 49 -0.537 -9.836 7.309 374 H PHE 50 H PHE 50 3.121 -8.848 3.979 375 HA PHE 50 HA PHE 50 4.562 -11.391 4.139 376 1HB PHE 50 2HB PHE 50 4.452 -9.076 2.277 377 2HB PHE 50 1HB PHE 50 5.967 -9.973 2.319 378 HD1 PHE 50 HD1 PHE 50 3.192 -9.747 0.425 379 HD2 PHE 50 HD2 PHE 50 5.245 -12.723 2.748 380 HE1 PHE 50 HE1 PHE 50 2.179 -11.533 -0.963 381 HE2 PHE 50 HE2 PHE 50 4.229 -14.505 1.358 382 HZ PHE 50 HZ PHE 50 2.699 -13.912 -0.496 383 H LYS 51 H LYS 51 4.840 -8.661 5.972 384 HA LYS 51 HA LYS 51 6.501 -7.824 7.371 385 1HB LYS 51 2HB LYS 51 7.590 -10.538 6.657 386 2HB LYS 51 1HB LYS 51 8.568 -9.417 7.607 387 1HG LYS 51 2HG LYS 51 7.128 -9.467 9.415 388 2HG LYS 51 1HG LYS 51 5.718 -9.818 8.419 389 1HD LYS 51 2HD LYS 51 6.875 -12.102 7.970 390 2HD LYS 51 1HD LYS 51 7.852 -11.711 9.383 391 1HE LYS 51 2HE LYS 51 4.888 -11.393 9.606 392 2HE LYS 51 1HE LYS 51 5.547 -13.025 9.628 393 1HZ LYS 51 1HZ LYS 51 5.492 -12.308 11.848 394 2HZ LYS 51 2HZ LYS 51 6.158 -10.792 11.473 395 3HZ LYS 51 3HZ LYS 51 7.118 -12.188 11.385 396 H VAL 52 H VAL 52 6.435 -6.814 4.768 397 HA VAL 52 HA VAL 52 9.299 -6.087 4.390 398 HB VAL 52 HB VAL 52 8.874 -6.093 1.882 399 1HG1 VAL 52 1HG1 VAL 52 10.144 -7.882 3.063 400 2HG1 VAL 52 2HG1 VAL 52 9.274 -8.492 1.655 401 3HG1 VAL 52 3HG1 VAL 52 8.638 -8.776 3.275 402 1HG2 VAL 52 1HG2 VAL 52 6.451 -6.135 1.854 403 2HG2 VAL 52 2HG2 VAL 52 6.419 -7.623 2.800 404 3HG2 VAL 52 3HG2 VAL 52 7.027 -7.643 1.146 405 HA PRO 53 HA PRO 53 7.676 -2.015 4.199 406 1HB PRO 53 2HB PRO 53 9.559 -0.799 2.606 407 2HB PRO 53 1HB PRO 53 9.818 -1.224 4.305 408 1HG PRO 53 2HG PRO 53 10.865 -2.566 1.851 409 2HG PRO 53 1HG PRO 53 11.560 -2.509 3.481 410 1HD PRO 53 2HD PRO 53 10.160 -4.694 2.371 411 2HD PRO 53 1HD PRO 53 10.527 -4.465 4.095 412 H ALA 54 H ALA 54 5.906 -1.447 3.082 413 HA ALA 54 HA ALA 54 5.425 -2.246 0.333 414 1HB ALA 54 1HB ALA 54 3.463 -2.113 1.602 415 2HB ALA 54 2HB ALA 54 3.409 -0.610 0.682 416 3HB ALA 54 3HB ALA 54 3.942 -0.597 2.364 417 H ALA 55 H ALA 55 6.487 0.729 1.915 418 HA ALA 55 HA ALA 55 6.125 2.534 -0.264 419 1HB ALA 55 1HB ALA 55 8.379 2.672 1.748 420 2HB ALA 55 2HB ALA 55 6.716 3.095 2.158 421 3HB ALA 55 3HB ALA 55 7.581 4.011 0.923 422 H THR 56 H THR 56 8.680 0.179 0.411 423 HA THR 56 HA THR 56 9.992 1.003 -2.151 424 HB THR 56 HB THR 56 12.107 0.063 -1.135 425 HG1 THR 56 HG1 THR 56 11.977 -0.838 0.740 426 1HG2 THR 56 1HG2 THR 56 10.755 2.387 0.258 427 2HG2 THR 56 2HG2 THR 56 11.745 2.465 -1.200 428 3HG2 THR 56 3HG2 THR 56 12.482 2.038 0.345 429 H SER 57 H SER 57 7.915 -0.768 -2.343 430 HA SER 57 HA SER 57 9.322 -3.238 -3.162 431 1HB SER 57 2HB SER 57 7.699 -4.710 -2.074 432 2HB SER 57 1HB SER 57 8.512 -3.715 -0.874 433 HG SER 57 HG SER 57 6.061 -3.929 -0.909 434 H ALA 58 H ALA 58 8.320 -4.297 -4.878 435 HA ALA 58 HA ALA 58 5.872 -2.980 -5.993 436 1HB ALA 58 1HB ALA 58 7.124 -2.403 -7.777 437 2HB ALA 58 2HB ALA 58 7.300 -4.120 -8.136 438 3HB ALA 58 3HB ALA 58 8.511 -3.296 -7.155 439 H ILE 59 H ILE 59 4.740 -4.485 -7.615 440 HA ILE 59 HA ILE 59 4.997 -7.338 -6.745 441 HB ILE 59 HB ILE 59 2.548 -5.598 -7.000 442 1HG1 ILE 59 2HG1 ILE 59 3.278 -7.759 -5.003 443 2HG1 ILE 59 1HG1 ILE 59 3.732 -6.066 -4.802 444 1HG2 ILE 59 1HG2 ILE 59 2.214 -8.562 -6.785 445 2HG2 ILE 59 2HG2 ILE 59 2.520 -7.891 -8.385 446 3HG2 ILE 59 3HG2 ILE 59 1.120 -7.356 -7.460 447 1HD1 ILE 59 1HD1 ILE 59 1.423 -5.374 -4.746 448 2HD1 ILE 59 2HD1 ILE 59 1.593 -6.722 -3.621 449 3HD1 ILE 59 3HD1 ILE 59 0.874 -6.986 -5.210 450 H ILE 60 H ILE 60 5.503 -8.606 -8.462 451 HA ILE 60 HA ILE 60 4.917 -7.590 -11.197 452 HB ILE 60 HB ILE 60 6.504 -9.307 -11.976 453 1HG1 ILE 60 2HG1 ILE 60 7.425 -10.004 -9.257 454 2HG1 ILE 60 1HG1 ILE 60 5.844 -10.658 -9.680 455 1HG2 ILE 60 1HG2 ILE 60 7.271 -7.041 -11.113 456 2HG2 ILE 60 2HG2 ILE 60 8.500 -8.303 -11.114 457 3HG2 ILE 60 3HG2 ILE 60 7.700 -7.851 -9.609 458 1HD1 ILE 60 1HD1 ILE 60 8.369 -10.963 -11.331 459 2HD1 ILE 60 2HD1 ILE 60 6.786 -11.622 -11.742 460 3HD1 ILE 60 3HD1 ILE 60 7.648 -12.216 -10.323 461 H THR 61 H THR 61 4.382 -9.503 -12.803 462 HA THR 61 HA THR 61 2.095 -10.991 -11.601 463 HB THR 61 HB THR 61 1.350 -11.292 -13.962 464 HG1 THR 61 HG1 THR 61 2.579 -10.677 -15.565 465 1HG2 THR 61 1HG2 THR 61 1.358 -8.585 -14.336 466 2HG2 THR 61 2HG2 THR 61 1.711 -8.693 -12.613 467 3HG2 THR 61 3HG2 THR 61 0.249 -9.435 -13.260 468 H ASN 62 H ASN 62 1.709 -13.201 -12.770 469 HA ASN 62 HA ASN 62 3.998 -14.882 -12.242 470 1HB ASN 62 2HB ASN 62 1.190 -15.267 -13.118 471 2HB ASN 62 1HB ASN 62 2.325 -16.528 -13.604 472 1HD2 ASN 62 1HD2 ASN 62 2.780 -18.095 -12.036 473 2HD2 ASN 62 2HD2 ASN 62 2.470 -17.920 -10.376 474 H ASP 63 H ASP 63 2.839 -13.245 -15.094 475 HA ASP 63 HA ASP 63 4.331 -14.950 -16.964 476 1HB ASP 63 2HB ASP 63 2.920 -12.289 -17.352 477 2HB ASP 63 1HB ASP 63 3.629 -13.250 -18.650 478 H GLY 64 H GLY 64 4.561 -11.520 -15.918 479 1HA GLY 64 2HA GLY 64 7.147 -11.211 -15.230 480 2HA GLY 64 1HA GLY 64 7.317 -11.373 -16.977 481 H VAL 65 H VAL 65 5.015 -9.640 -14.837 482 HA VAL 65 HA VAL 65 5.668 -7.131 -16.335 483 HB VAL 65 HB VAL 65 2.916 -8.011 -15.395 484 1HG1 VAL 65 1HG1 VAL 65 2.822 -5.691 -15.289 485 2HG1 VAL 65 2HG1 VAL 65 2.381 -5.959 -16.975 486 3HG1 VAL 65 3HG1 VAL 65 4.027 -5.480 -16.559 487 1HG2 VAL 65 1HG2 VAL 65 2.826 -7.598 -18.130 488 2HG2 VAL 65 2HG2 VAL 65 2.939 -9.174 -17.347 489 3HG2 VAL 65 3HG2 VAL 65 4.400 -8.363 -17.910 490 H GLY 66 H GLY 66 6.431 -5.622 -14.946 491 1HA GLY 66 2HA GLY 66 6.257 -5.988 -12.064 492 2HA GLY 66 1HA GLY 66 7.062 -4.657 -12.891 493 H VAL 67 H VAL 67 4.004 -5.818 -11.641 494 HA VAL 67 HA VAL 67 2.436 -3.507 -12.427 495 HB VAL 67 HB VAL 67 1.885 -5.401 -10.121 496 1HG1 VAL 67 1HG1 VAL 67 -0.091 -3.979 -11.905 497 2HG1 VAL 67 2HG1 VAL 67 0.556 -3.216 -10.452 498 3HG1 VAL 67 3HG1 VAL 67 -0.370 -4.711 -10.326 499 1HG2 VAL 67 1HG2 VAL 67 1.438 -5.682 -13.096 500 2HG2 VAL 67 2HG2 VAL 67 0.435 -6.546 -11.930 501 3HG2 VAL 67 3HG2 VAL 67 2.173 -6.839 -11.986 502 H ASN 68 H ASN 68 2.385 -1.536 -11.471 503 HA ASN 68 HA ASN 68 3.768 -1.211 -8.838 504 1HB ASN 68 2HB ASN 68 3.555 0.495 -11.288 505 2HB ASN 68 1HB ASN 68 3.690 1.302 -9.726 506 1HD2 ASN 68 1HD2 ASN 68 5.771 1.413 -8.798 507 2HD2 ASN 68 2HD2 ASN 68 7.124 0.580 -9.391 508 HA PRO 69 HA PRO 69 0.020 0.233 -7.037 509 1HB PRO 69 2HB PRO 69 1.025 2.025 -5.205 510 2HB PRO 69 1HB PRO 69 1.146 0.267 -5.024 511 1HG PRO 69 2HG PRO 69 3.265 2.225 -5.771 512 2HG PRO 69 1HG PRO 69 3.424 0.642 -4.994 513 1HD PRO 69 2HD PRO 69 3.920 1.216 -7.724 514 2HD PRO 69 1HD PRO 69 3.776 -0.401 -7.002 515 H ALA 70 H ALA 70 -0.080 1.393 -9.386 516 HA ALA 70 HA ALA 70 -0.505 4.310 -8.866 517 1HB ALA 70 1HB ALA 70 0.511 3.061 -11.435 518 2HB ALA 70 2HB ALA 70 1.495 3.955 -10.276 519 3HB ALA 70 3HB ALA 70 0.215 4.779 -11.166 520 H GLN 71 H GLN 71 -1.876 1.353 -9.976 521 HA GLN 71 HA GLN 71 -4.159 2.839 -11.216 522 1HB GLN 71 2HB GLN 71 -4.629 0.733 -12.459 523 2HB GLN 71 1HB GLN 71 -3.030 1.374 -12.824 524 1HG GLN 71 2HG GLN 71 -2.855 -0.368 -10.535 525 2HG GLN 71 1HG GLN 71 -3.672 -1.210 -11.850 526 1HE2 GLN 71 1HE2 GLN 71 -2.406 -1.850 -13.664 527 2HE2 GLN 71 2HE2 GLN 71 -0.748 -1.519 -13.809 528 HA PRO 72 HA PRO 72 -6.839 1.162 -8.155 529 1HB PRO 72 2HB PRO 72 -9.115 0.661 -9.618 530 2HB PRO 72 1HB PRO 72 -8.580 2.285 -9.153 531 1HG PRO 72 2HG PRO 72 -8.433 0.951 -11.818 532 2HG PRO 72 1HG PRO 72 -8.538 2.676 -11.431 533 1HD PRO 72 2HD PRO 72 -6.194 1.303 -12.189 534 2HD PRO 72 1HD PRO 72 -6.257 2.916 -11.448 535 H ALA 73 H ALA 73 -7.869 -0.809 -7.368 536 HA ALA 73 HA ALA 73 -6.613 -3.244 -8.111 537 1HB ALA 73 1HB ALA 73 -7.555 -3.821 -6.152 538 2HB ALA 73 2HB ALA 73 -9.123 -3.895 -6.956 539 3HB ALA 73 3HB ALA 73 -8.592 -2.396 -6.200 540 H GLY 74 H GLY 74 -9.745 -1.874 -9.117 541 1HA GLY 74 2HA GLY 74 -10.783 -4.112 -10.510 542 2HA GLY 74 1HA GLY 74 -11.133 -2.432 -10.925 543 H ASN 75 H ASN 75 -8.590 -1.529 -11.656 544 HA ASN 75 HA ASN 75 -8.351 -2.569 -14.341 545 1HB ASN 75 2HB ASN 75 -7.738 -0.204 -13.354 546 2HB ASN 75 1HB ASN 75 -6.174 -0.957 -13.041 547 1HD2 ASN 75 1HD2 ASN 75 -4.821 -1.469 -14.870 548 2HD2 ASN 75 2HD2 ASN 75 -5.220 -1.006 -16.454 549 H ILE 76 H ILE 76 -6.580 -3.120 -11.320 550 HA ILE 76 HA ILE 76 -4.324 -4.504 -12.392 551 HB ILE 76 HB ILE 76 -5.741 -4.832 -9.726 552 1HG1 ILE 76 2HG1 ILE 76 -4.739 -2.566 -10.350 553 2HG1 ILE 76 1HG1 ILE 76 -4.121 -3.290 -8.869 554 1HG2 ILE 76 1HG2 ILE 76 -3.083 -5.536 -9.379 555 2HG2 ILE 76 2HG2 ILE 76 -3.487 -6.270 -10.931 556 3HG2 ILE 76 3HG2 ILE 76 -4.433 -6.664 -9.496 557 1HD1 ILE 76 1HD1 ILE 76 -2.785 -3.377 -11.591 558 2HD1 ILE 76 2HD1 ILE 76 -2.178 -4.180 -10.142 559 3HD1 ILE 76 3HD1 ILE 76 -2.262 -2.420 -10.204 560 H PHE 77 H PHE 77 -7.527 -5.696 -11.349 561 HA PHE 77 HA PHE 77 -6.928 -8.472 -11.973 562 1HB PHE 77 2HB PHE 77 -8.757 -7.460 -10.382 563 2HB PHE 77 1HB PHE 77 -9.724 -7.366 -11.854 564 HD1 PHE 77 HD1 PHE 77 -10.231 -9.438 -13.158 565 HD2 PHE 77 HD2 PHE 77 -8.270 -9.571 -9.337 566 HE1 PHE 77 HE1 PHE 77 -10.748 -11.855 -12.976 567 HE2 PHE 77 HE2 PHE 77 -8.788 -11.989 -9.157 568 HZ PHE 77 HZ PHE 77 -10.026 -13.131 -10.976 569 H LEU 78 H LEU 78 -8.540 -5.801 -13.683 570 HA LEU 78 HA LEU 78 -9.509 -7.348 -15.898 571 1HB LEU 78 2HB LEU 78 -8.880 -4.418 -15.530 572 2HB LEU 78 1HB LEU 78 -9.438 -5.051 -17.078 573 HG LEU 78 HG LEU 78 -10.926 -5.555 -14.490 574 1HD1 LEU 78 1HD1 LEU 78 -10.867 -3.169 -16.268 575 2HD1 LEU 78 2HD1 LEU 78 -11.260 -3.285 -14.553 576 3HD1 LEU 78 3HD1 LEU 78 -12.460 -3.732 -15.766 577 1HD2 LEU 78 1HD2 LEU 78 -12.638 -6.377 -15.852 578 2HD2 LEU 78 2HD2 LEU 78 -11.210 -6.899 -16.746 579 3HD2 LEU 78 3HD2 LEU 78 -12.095 -5.462 -17.259 580 H LYS 79 H LYS 79 -6.427 -5.639 -15.350 581 HA LYS 79 HA LYS 79 -5.469 -6.404 -18.037 582 1HB LYS 79 2HB LYS 79 -4.922 -4.275 -16.309 583 2HB LYS 79 1HB LYS 79 -3.461 -5.260 -16.264 584 1HG LYS 79 2HG LYS 79 -4.200 -5.225 -18.964 585 2HG LYS 79 1HG LYS 79 -4.474 -3.577 -18.406 586 1HD LYS 79 2HD LYS 79 -2.019 -4.409 -17.258 587 2HD LYS 79 1HD LYS 79 -1.971 -4.893 -18.951 588 1HE LYS 79 2HE LYS 79 -1.872 -2.751 -19.683 589 2HE LYS 79 1HE LYS 79 -3.080 -2.205 -18.521 590 1HZ LYS 79 1HZ LYS 79 -1.254 -2.473 -16.802 591 2HZ LYS 79 2HZ LYS 79 -1.091 -1.174 -17.887 592 3HZ LYS 79 3HZ LYS 79 -0.173 -2.585 -18.103 593 H HIS 80 H HIS 80 -4.305 -6.891 -14.667 594 HA HIS 80 HA HIS 80 -2.567 -9.085 -15.603 595 1HB HIS 80 2HB HIS 80 -2.979 -8.152 -12.749 596 2HB HIS 80 1HB HIS 80 -1.614 -9.058 -13.400 597 HD1 HIS 80 HD1 HIS 80 -0.426 -7.650 -15.560 598 HD2 HIS 80 HD2 HIS 80 -2.403 -5.462 -12.612 599 HE1 HIS 80 HE1 HIS 80 0.415 -5.269 -15.750 600 H GLY 81 H GLY 81 -4.915 -8.858 -12.884 601 1HA GLY 81 2HA GLY 81 -6.852 -10.515 -13.029 602 2HA GLY 81 1HA GLY 81 -5.626 -11.714 -13.439 603 H SER 82 H SER 82 -5.160 -12.997 -11.728 604 HA SER 82 HA SER 82 -5.151 -11.762 -8.997 605 1HB SER 82 2HB SER 82 -6.948 -13.542 -9.582 606 2HB SER 82 1HB SER 82 -5.620 -14.697 -9.517 607 HG SER 82 HG SER 82 -6.997 -13.693 -7.507 608 H GLU 83 H GLU 83 -3.621 -14.236 -11.079 609 HA GLU 83 HA GLU 83 -1.597 -15.077 -9.280 610 1HB GLU 83 2HB GLU 83 -2.014 -15.154 -12.210 611 2HB GLU 83 1HB GLU 83 -0.333 -15.264 -11.689 612 1HG GLU 83 2HG GLU 83 -1.098 -17.512 -11.718 613 2HG GLU 83 1HG GLU 83 -1.142 -17.046 -10.018 614 H LEU 84 H LEU 84 -0.363 -13.623 -8.186 615 HA LEU 84 HA LEU 84 1.258 -11.694 -9.784 616 1HB LEU 84 2HB LEU 84 -0.402 -11.072 -7.329 617 2HB LEU 84 1HB LEU 84 0.917 -10.035 -7.872 618 HG LEU 84 HG LEU 84 -1.182 -10.863 -9.849 619 1HD1 LEU 84 1HD1 LEU 84 -2.597 -8.992 -9.215 620 2HD1 LEU 84 2HD1 LEU 84 -1.479 -8.535 -7.931 621 3HD1 LEU 84 3HD1 LEU 84 -2.386 -10.042 -7.815 622 1HD2 LEU 84 1HD2 LEU 84 0.406 -9.604 -10.948 623 2HD2 LEU 84 2HD2 LEU 84 0.862 -8.717 -9.494 624 3HD2 LEU 84 3HD2 LEU 84 -0.613 -8.289 -10.363 625 H ARG 85 H ARG 85 3.048 -10.746 -8.304 626 HA ARG 85 HA ARG 85 3.958 -12.673 -6.223 627 1HB ARG 85 2HB ARG 85 5.259 -12.090 -8.843 628 2HB ARG 85 1HB ARG 85 6.314 -12.224 -7.437 629 1HG ARG 85 2HG ARG 85 5.381 -14.435 -6.924 630 2HG ARG 85 1HG ARG 85 4.279 -14.301 -8.294 631 1HD ARG 85 2HD ARG 85 6.886 -13.741 -9.272 632 2HD ARG 85 1HD ARG 85 7.010 -15.196 -8.285 633 HE ARG 85 HE ARG 85 4.735 -15.439 -9.997 634 1HH1 ARG 85 2HH1 ARG 85 7.096 -17.378 -9.556 635 2HH1 ARG 85 1HH1 ARG 85 7.726 -17.481 -11.165 636 1HH2 ARG 85 1HH2 ARG 85 6.018 -14.670 -12.296 637 2HH2 ARG 85 2HH2 ARG 85 7.114 -15.942 -12.721 638 H LEU 86 H LEU 86 5.603 -11.735 -4.796 639 HA LEU 86 HA LEU 86 5.525 -8.744 -4.813 640 1HB LEU 86 2HB LEU 86 4.619 -10.228 -2.829 641 2HB LEU 86 1HB LEU 86 6.326 -10.338 -2.401 642 HG LEU 86 HG LEU 86 5.760 -7.616 -3.068 643 1HD1 LEU 86 1HD1 LEU 86 3.986 -7.018 -1.622 644 2HD1 LEU 86 2HD1 LEU 86 3.990 -8.592 -0.826 645 3HD1 LEU 86 3HD1 LEU 86 3.385 -8.439 -2.475 646 1HD2 LEU 86 1HD2 LEU 86 7.129 -9.152 -1.126 647 2HD2 LEU 86 2HD2 LEU 86 6.020 -8.112 -0.233 648 3HD2 LEU 86 3HD2 LEU 86 7.192 -7.402 -1.343 649 H ILE 87 H ILE 87 7.394 -7.731 -5.294 650 HA ILE 87 HA ILE 87 9.976 -9.151 -4.766 651 HB ILE 87 HB ILE 87 10.867 -8.047 -6.826 652 1HG1 ILE 87 2HG1 ILE 87 8.195 -7.558 -7.952 653 2HG1 ILE 87 1HG1 ILE 87 8.591 -6.473 -6.623 654 1HG2 ILE 87 1HG2 ILE 87 10.381 -10.061 -7.703 655 2HG2 ILE 87 2HG2 ILE 87 8.822 -9.415 -8.213 656 3HG2 ILE 87 3HG2 ILE 87 8.974 -10.223 -6.654 657 1HD1 ILE 87 1HD1 ILE 87 10.610 -5.743 -7.714 658 2HD1 ILE 87 2HD1 ILE 87 9.308 -5.642 -8.901 659 3HD1 ILE 87 3HD1 ILE 87 10.450 -6.985 -8.957 660 HA PRO 88 HA PRO 88 11.205 -5.442 -2.723 661 1HB PRO 88 2HB PRO 88 13.933 -5.708 -2.960 662 2HB PRO 88 1HB PRO 88 12.949 -6.663 -1.837 663 1HG PRO 88 2HG PRO 88 14.210 -7.501 -4.404 664 2HG PRO 88 1HG PRO 88 13.773 -8.482 -2.995 665 1HD PRO 88 2HD PRO 88 12.312 -8.301 -5.418 666 2HD PRO 88 1HD PRO 88 11.740 -9.024 -3.900 667 H ARG 89 H ARG 89 11.100 -3.391 -3.551 668 HA ARG 89 HA ARG 89 12.174 -2.841 -6.261 669 1HB ARG 89 2HB ARG 89 9.823 -2.121 -5.284 670 2HB ARG 89 1HB ARG 89 10.749 -0.790 -4.592 671 1HG ARG 89 2HG ARG 89 11.603 -1.069 -7.287 672 2HG ARG 89 1HG ARG 89 9.841 -1.118 -7.301 673 1HD ARG 89 2HD ARG 89 11.035 0.940 -5.537 674 2HD ARG 89 1HD ARG 89 11.278 1.192 -7.264 675 HE ARG 89 HE ARG 89 8.942 1.556 -7.501 676 1HH1 ARG 89 2HH1 ARG 89 9.296 2.638 -4.645 677 2HH1 ARG 89 1HH1 ARG 89 7.954 1.889 -3.847 678 1HH2 ARG 89 1HH2 ARG 89 7.404 -0.431 -6.376 679 2HH2 ARG 89 2HH2 ARG 89 6.879 0.147 -4.829 680 H ASP 90 H ASP 90 12.278 -1.268 -3.028 681 HA ASP 90 HA ASP 90 15.099 -0.491 -3.615 682 1HB ASP 90 2HB ASP 90 12.801 1.290 -2.872 683 2HB ASP 90 1HB ASP 90 14.412 1.684 -2.270 684 H ARG 91 H ARG 91 16.269 0.148 -1.583 685 HA ARG 91 HA ARG 91 15.328 -1.539 0.694 686 1HB ARG 91 2HB ARG 91 17.902 -1.104 -0.579 687 2HB ARG 91 1HB ARG 91 17.992 -0.750 1.146 688 1HG ARG 91 2HG ARG 91 16.440 -3.164 0.594 689 2HG ARG 91 1HG ARG 91 18.093 -3.282 -0.004 690 1HD ARG 91 2HD ARG 91 18.896 -3.516 2.086 691 2HD ARG 91 1HD ARG 91 18.066 -2.054 2.615 692 HE ARG 91 HE ARG 91 16.924 -4.802 2.717 693 1HH1 ARG 91 1HH2 ARG 91 17.533 -3.074 5.146 694 2HH1 ARG 91 2HH2 ARG 91 15.954 -2.488 5.550 695 1HH2 ARG 91 2HH1 ARG 91 14.565 -3.345 2.481 696 2HH2 ARG 91 1HH1 ARG 91 14.266 -2.644 4.036 697 H VAL 92 H VAL 92 14.709 -0.518 2.550 698 HA VAL 92 HA VAL 92 14.987 2.420 2.710 699 HB VAL 92 HB VAL 92 13.527 2.233 4.708 700 1HG1 VAL 92 1HG1 VAL 92 12.786 1.061 2.062 701 2HG1 VAL 92 2HG1 VAL 92 12.191 2.521 2.853 702 3HG1 VAL 92 3HG1 VAL 92 11.615 0.939 3.375 703 1HG2 VAL 92 1HG2 VAL 92 14.031 -0.693 4.245 704 2HG2 VAL 92 2HG2 VAL 92 12.479 -0.189 4.910 705 3HG2 VAL 92 3HG2 VAL 92 13.972 0.203 5.761 706 H GLY 93 H GLY 93 16.123 -0.465 4.445 707 1HA GLY 93 2HA GLY 93 17.609 1.178 6.398 708 2HA GLY 93 1HA GLY 93 17.527 -0.585 6.372 709 H HIS 94 HN HIS 94 19.013 2.216 4.786 710 HA HIS 94 HA HIS 94 20.812 0.638 3.139 711 1HB HIS 94 2HB HIS 94 20.700 3.561 3.909 712 2HB HIS 94 1HB HIS 94 22.013 2.910 2.931 713 HD1 HIS 94 HD1 HIS 94 18.589 4.159 2.687 714 HD2 HIS 94 HD2 HIS 94 21.011 1.612 0.445 715 HE1 HIS 94 HE1 HIS 94 17.504 3.959 0.405 Start of MODEL 4 1 1H MET 1 1H MET 1 -7.379 -3.108 6.791 2 2H MET 1 2H MET 1 -7.934 -2.021 7.969 3 3H MET 1 3H MET 1 -7.788 -3.672 8.339 4 HA MET 1 HA MET 1 -5.508 -1.906 7.628 5 1HB MET 1 2HB MET 1 -6.759 -1.435 9.834 6 2HB MET 1 1HB MET 1 -6.145 -3.007 10.364 7 1HG MET 1 2HG MET 1 -4.150 -2.076 10.842 8 2HG MET 1 1HG MET 1 -3.979 -1.568 9.163 9 1HE MET 1 1HE MET 1 -3.122 1.845 10.461 10 2HE MET 1 2HE MET 1 -2.943 0.662 9.165 11 3HE MET 1 3HE MET 1 -2.477 0.236 10.810 12 H SER 2 H SER 2 -3.687 -3.053 7.183 13 HA SER 2 HA SER 2 -2.327 -4.909 6.724 14 1HB SER 2 2HB SER 2 -3.199 -5.097 9.560 15 2HB SER 2 1HB SER 2 -2.469 -6.549 8.884 16 HG SER 2 HG SER 2 -1.083 -4.772 9.856 17 H GLY 3 H GLY 3 -4.606 -5.204 5.333 18 1HA GLY 3 2HA GLY 3 -5.414 -7.092 4.069 19 2HA GLY 3 1HA GLY 3 -5.116 -8.128 5.466 20 H GLY 4 H GLY 4 -6.776 -5.018 5.723 21 1HA GLY 4 2HA GLY 4 -9.213 -6.462 6.640 22 2HA GLY 4 1HA GLY 4 -8.830 -4.777 7.001 23 H THR 5 H THR 5 -8.718 -3.311 5.051 24 HA THR 5 HA THR 5 -9.670 -2.366 3.148 25 HB THR 5 HB THR 5 -10.317 -5.248 2.442 26 HG1 THR 5 HG1 THR 5 -8.222 -5.206 2.217 27 1HG2 THR 5 1HG2 THR 5 -10.801 -4.492 0.247 28 2HG2 THR 5 2HG2 THR 5 -10.160 -2.883 0.575 29 3HG2 THR 5 3HG2 THR 5 -11.681 -3.395 1.308 30 H ALA 6 H ALA 6 -11.566 -1.285 3.003 31 HA ALA 6 HA ALA 6 -13.893 -2.313 4.526 32 1HB ALA 6 1HB ALA 6 -14.772 -0.015 4.267 33 2HB ALA 6 2HB ALA 6 -13.397 0.394 3.243 34 3HB ALA 6 3HB ALA 6 -13.143 0.003 4.944 35 H ALA 7 H ALA 7 -15.782 -2.953 3.545 36 HA ALA 7 HA ALA 7 -15.887 -3.669 0.808 37 1HB ALA 7 1HB ALA 7 -18.352 -3.859 1.161 38 2HB ALA 7 2HB ALA 7 -18.164 -3.037 2.711 39 3HB ALA 7 3HB ALA 7 -17.425 -4.617 2.459 40 H THR 8 H THR 8 -17.043 -0.717 2.444 41 HA THR 8 HA THR 8 -17.748 1.347 1.603 42 HB THR 8 HB THR 8 -15.893 0.632 -0.695 43 HG1 THR 8 HG1 THR 8 -14.782 0.397 1.213 44 1HG2 THR 8 1HG2 THR 8 -16.797 2.629 -1.385 45 2HG2 THR 8 2HG2 THR 8 -15.577 3.277 -0.290 46 3HG2 THR 8 3HG2 THR 8 -17.248 3.112 0.250 47 H THR 9 H THR 9 -19.761 -0.239 1.236 48 HA THR 9 HA THR 9 -21.551 -0.946 -0.108 49 HB THR 9 HB THR 9 -22.449 0.872 -1.547 50 HG1 THR 9 HG1 THR 9 -20.806 1.908 -2.430 51 1HG2 THR 9 1HG2 THR 9 -21.348 2.053 1.004 52 2HG2 THR 9 2HG2 THR 9 -22.623 0.836 1.006 53 3HG2 THR 9 3HG2 THR 9 -22.892 2.392 0.222 54 H ALA 10 H ALA 10 -19.493 -2.386 -0.989 55 HA ALA 10 HA ALA 10 -19.742 -2.252 -3.965 56 1HB ALA 10 1HB ALA 10 -17.444 -1.553 -2.919 57 2HB ALA 10 2HB ALA 10 -17.457 -2.665 -4.287 58 3HB ALA 10 3HB ALA 10 -17.237 -3.284 -2.652 59 H GLY 11 H GLY 11 -20.997 -3.985 -4.459 60 1HA GLY 11 2HA GLY 11 -21.120 -6.381 -2.822 61 2HA GLY 11 1HA GLY 11 -21.904 -6.158 -4.386 62 H SER 12 H SER 12 -19.885 -5.748 -6.130 63 HA SER 12 HA SER 12 -18.585 -8.376 -6.232 64 1HB SER 12 2HB SER 12 -17.763 -7.577 -8.456 65 2HB SER 12 1HB SER 12 -19.512 -7.473 -8.291 66 HG SER 12 HG SER 12 -18.861 -5.527 -9.082 67 H LYS 13 H LYS 13 -16.451 -8.797 -5.840 68 HA LYS 13 HA LYS 13 -14.618 -6.488 -5.331 69 1HB LYS 13 2HB LYS 13 -14.977 -8.978 -3.639 70 2HB LYS 13 1HB LYS 13 -13.633 -7.850 -3.455 71 1HG LYS 13 2HG LYS 13 -15.358 -6.011 -3.157 72 2HG LYS 13 1HG LYS 13 -16.580 -7.279 -3.066 73 1HD LYS 13 2HD LYS 13 -15.905 -7.975 -0.996 74 2HD LYS 13 1HD LYS 13 -14.203 -7.651 -1.329 75 1HE LYS 13 2HE LYS 13 -15.010 -5.129 -1.310 76 2HE LYS 13 1HE LYS 13 -16.332 -5.785 -0.344 77 1HZ LYS 13 1HZ LYS 13 -14.348 -6.947 0.888 78 2HZ LYS 13 2HZ LYS 13 -14.818 -5.364 1.280 79 3HZ LYS 13 3HZ LYS 13 -13.475 -5.630 0.275 80 H VAL 14 H VAL 14 -12.407 -6.902 -5.805 81 HA VAL 14 HA VAL 14 -11.973 -9.239 -7.612 82 HB VAL 14 HB VAL 14 -9.917 -7.891 -8.328 83 1HG1 VAL 14 1HG1 VAL 14 -11.777 -7.934 -9.808 84 2HG1 VAL 14 2HG1 VAL 14 -11.378 -6.226 -9.622 85 3HG1 VAL 14 3HG1 VAL 14 -12.744 -6.912 -8.746 86 1HG2 VAL 14 1HG2 VAL 14 -9.567 -5.748 -7.564 87 2HG2 VAL 14 2HG2 VAL 14 -10.358 -6.395 -6.128 88 3HG2 VAL 14 3HG2 VAL 14 -11.283 -5.451 -7.293 89 H THR 15 H THR 15 -10.575 -10.824 -7.012 90 HA THR 15 HA THR 15 -9.113 -10.493 -4.440 91 HB THR 15 HB THR 15 -8.825 -13.010 -4.643 92 HG1 THR 15 HG1 THR 15 -9.444 -13.911 -6.417 93 1HG2 THR 15 1HG2 THR 15 -10.774 -11.661 -3.500 94 2HG2 THR 15 2HG2 THR 15 -10.901 -13.410 -3.678 95 3HG2 THR 15 3HG2 THR 15 -11.744 -12.346 -4.804 96 H PHE 16 H PHE 16 -6.869 -10.770 -4.304 97 HA PHE 16 HA PHE 16 -5.420 -11.159 -6.894 98 1HB PHE 16 2HB PHE 16 -4.700 -9.204 -4.693 99 2HB PHE 16 1HB PHE 16 -3.757 -9.495 -6.152 100 HD1 PHE 16 HD1 PHE 16 -5.011 -9.206 -8.426 101 HD2 PHE 16 HD2 PHE 16 -6.368 -7.542 -4.705 102 HE1 PHE 16 HE1 PHE 16 -6.400 -7.571 -9.663 103 HE2 PHE 16 HE2 PHE 16 -7.757 -5.905 -5.947 104 HZ PHE 16 HZ PHE 16 -7.773 -5.923 -8.424 105 H LYS 17 H LYS 17 -3.716 -12.548 -6.804 106 HA LYS 17 HA LYS 17 -3.054 -13.739 -4.141 107 1HB LYS 17 2HB LYS 17 -3.982 -15.132 -6.189 108 2HB LYS 17 1HB LYS 17 -2.311 -15.037 -6.747 109 1HG LYS 17 2HG LYS 17 -1.737 -15.788 -4.297 110 2HG LYS 17 1HG LYS 17 -3.408 -16.355 -4.278 111 1HD LYS 17 2HD LYS 17 -2.463 -18.248 -5.155 112 2HD LYS 17 1HD LYS 17 -2.627 -17.354 -6.666 113 1HE LYS 17 2HE LYS 17 -0.172 -16.830 -5.064 114 2HE LYS 17 1HE LYS 17 -0.280 -18.403 -5.854 115 1HZ LYS 17 1HZ LYS 17 0.700 -17.035 -7.436 116 2HZ LYS 17 2HZ LYS 17 -0.312 -15.716 -7.080 117 3HZ LYS 17 3HZ LYS 17 -0.928 -17.064 -7.910 118 H ILE 18 H ILE 18 -1.166 -12.947 -3.352 119 HA ILE 18 HA ILE 18 1.038 -12.363 -5.294 120 HB ILE 18 HB ILE 18 0.510 -10.916 -2.680 121 1HG1 ILE 18 2HG1 ILE 18 0.213 -9.114 -4.785 122 2HG1 ILE 18 1HG1 ILE 18 -0.618 -10.559 -5.360 123 1HG2 ILE 18 1HG2 ILE 18 2.473 -9.852 -3.029 124 2HG2 ILE 18 2HG2 ILE 18 2.137 -9.624 -4.744 125 3HG2 ILE 18 3HG2 ILE 18 2.837 -11.140 -4.177 126 1HD1 ILE 18 1HD1 ILE 18 -1.852 -8.748 -3.825 127 2HD1 ILE 18 2HD1 ILE 18 -1.123 -9.712 -2.542 128 3HD1 ILE 18 3HD1 ILE 18 -2.216 -10.469 -3.700 129 H THR 19 H THR 19 2.882 -13.488 -4.915 130 HA THR 19 HA THR 19 3.270 -14.701 -2.205 131 HB THR 19 HB THR 19 2.696 -16.378 -3.982 132 HG1 THR 19 HG1 THR 19 3.866 -17.455 -2.620 133 1HG2 THR 19 1HG2 THR 19 3.869 -15.072 -5.818 134 2HG2 THR 19 2HG2 THR 19 4.196 -16.803 -5.801 135 3HG2 THR 19 3HG2 THR 19 5.390 -15.675 -5.163 136 H LEU 20 H LEU 20 5.370 -14.567 -1.342 137 HA LEU 20 HA LEU 20 7.031 -12.413 -2.287 138 1HB LEU 20 2HB LEU 20 6.784 -13.562 0.111 139 2HB LEU 20 1HB LEU 20 8.164 -14.497 -0.467 140 HG LEU 20 HG LEU 20 9.223 -12.247 -1.104 141 1HD1 LEU 20 1HD1 LEU 20 7.720 -10.858 0.981 142 2HD1 LEU 20 2HD1 LEU 20 6.703 -11.297 -0.390 143 3HD1 LEU 20 3HD1 LEU 20 8.146 -10.316 -0.642 144 1HD2 LEU 20 1HD2 LEU 20 9.845 -11.791 1.325 145 2HD2 LEU 20 2HD2 LEU 20 10.087 -13.451 0.783 146 3HD2 LEU 20 3HD2 LEU 20 8.683 -13.042 1.768 147 H THR 21 H THR 21 8.825 -12.437 -3.581 148 HA THR 21 HA THR 21 9.590 -15.060 -4.787 149 HB THR 21 HB THR 21 10.528 -13.645 -6.647 150 HG1 THR 21 HG1 THR 21 10.673 -11.602 -6.280 151 1HG2 THR 21 1HG2 THR 21 8.137 -14.613 -6.520 152 2HG2 THR 21 2HG2 THR 21 8.434 -13.330 -7.693 153 3HG2 THR 21 3HG2 THR 21 7.631 -12.962 -6.168 154 H SER 22 H SER 22 10.704 -12.876 -2.488 155 HA SER 22 HA SER 22 13.535 -12.884 -3.168 156 1HB SER 22 2HB SER 22 11.838 -11.727 -1.112 157 2HB SER 22 1HB SER 22 13.283 -12.439 -0.401 158 HG SER 22 HG SER 22 13.682 -10.308 -1.052 159 H ASP 23 H ASP 23 11.685 -14.470 -0.526 160 HA ASP 23 HA ASP 23 13.887 -16.441 -0.238 161 1HB ASP 23 2HB ASP 23 11.909 -15.268 1.543 162 2HB ASP 23 1HB ASP 23 11.875 -17.029 1.634 163 HA PRO 24 HA PRO 24 11.495 -19.412 -2.482 164 1HB PRO 24 2HB PRO 24 13.151 -21.551 -1.981 165 2HB PRO 24 1HB PRO 24 13.508 -20.289 -3.173 166 1HG PRO 24 2HG PRO 24 14.723 -20.730 -0.489 167 2HG PRO 24 1HG PRO 24 15.405 -19.920 -1.909 168 1HD PRO 24 2HD PRO 24 14.302 -18.647 0.375 169 2HD PRO 24 1HD PRO 24 14.727 -17.867 -1.163 170 H LYS 25 H LYS 25 10.171 -21.304 -2.040 171 HA LYS 25 HA LYS 25 8.820 -22.702 -0.746 172 1HB LYS 25 2HB LYS 25 11.253 -23.238 0.185 173 2HB LYS 25 1HB LYS 25 10.632 -22.431 1.626 174 1HG LYS 25 2HG LYS 25 8.533 -24.071 0.969 175 2HG LYS 25 1HG LYS 25 9.914 -25.056 0.482 176 1HD LYS 25 2HD LYS 25 10.386 -23.764 3.052 177 2HD LYS 25 1HD LYS 25 8.924 -24.751 3.082 178 1HE LYS 25 2HE LYS 25 10.070 -26.711 2.660 179 2HE LYS 25 1HE LYS 25 11.373 -25.892 1.800 180 1HZ LYS 25 1HZ LYS 25 10.939 -25.500 4.702 181 2HZ LYS 25 2HZ LYS 25 12.332 -25.171 3.788 182 3HZ LYS 25 3HZ LYS 25 11.881 -26.778 4.108 183 H LEU 26 H LEU 26 7.797 -20.294 -0.884 184 HA LEU 26 HA LEU 26 6.942 -19.666 1.908 185 1HB LEU 26 2HB LEU 26 8.348 -17.938 0.086 186 2HB LEU 26 1HB LEU 26 6.729 -17.293 0.353 187 HG LEU 26 HG LEU 26 7.561 -18.116 2.891 188 1HD1 LEU 26 1HD1 LEU 26 9.759 -17.281 3.231 189 2HD1 LEU 26 2HD1 LEU 26 9.791 -16.498 1.651 190 3HD1 LEU 26 3HD1 LEU 26 9.871 -18.257 1.766 191 1HD2 LEU 26 1HD2 LEU 26 7.607 -15.391 1.556 192 2HD2 LEU 26 2HD2 LEU 26 7.714 -15.645 3.298 193 3HD2 LEU 26 3HD2 LEU 26 6.255 -16.113 2.426 194 HA PRO 27 HA PRO 27 2.906 -20.152 0.180 195 1HB PRO 27 2HB PRO 27 1.503 -18.996 2.246 196 2HB PRO 27 1HB PRO 27 2.196 -20.626 2.317 197 1HG PRO 27 2HG PRO 27 3.158 -18.116 3.615 198 2HG PRO 27 1HG PRO 27 3.372 -19.798 4.128 199 1HD PRO 27 2HD PRO 27 5.325 -18.212 2.849 200 2HD PRO 27 1HD PRO 27 5.377 -19.980 3.031 201 H PHE 28 H PHE 28 1.063 -18.841 -0.589 202 HA PHE 28 HA PHE 28 1.867 -16.040 -1.207 203 1HB PHE 28 2HB PHE 28 0.105 -16.153 -2.959 204 2HB PHE 28 1HB PHE 28 1.312 -17.422 -3.147 205 HD1 PHE 28 HD1 PHE 28 -2.143 -16.688 -1.998 206 HD2 PHE 28 HD2 PHE 28 0.740 -19.748 -2.890 207 HE1 PHE 28 HE1 PHE 28 -3.928 -18.405 -1.888 208 HE2 PHE 28 HE2 PHE 28 -1.047 -21.463 -2.777 209 HZ PHE 28 HZ PHE 28 -3.381 -20.792 -2.276 210 H LYS 29 H LYS 29 0.153 -14.353 -1.154 211 HA LYS 29 HA LYS 29 -1.819 -14.846 1.049 212 1HB LYS 29 2HB LYS 29 0.143 -12.706 0.598 213 2HB LYS 29 1HB LYS 29 -1.481 -12.099 0.919 214 1HG LYS 29 2HG LYS 29 -0.717 -12.333 3.089 215 2HG LYS 29 1HG LYS 29 -1.414 -13.934 2.846 216 1HD LYS 29 2HD LYS 29 0.622 -14.958 2.833 217 2HD LYS 29 1HD LYS 29 1.383 -13.646 1.936 218 1HE LYS 29 2HE LYS 29 2.101 -12.621 3.824 219 2HE LYS 29 1HE LYS 29 0.560 -12.868 4.644 220 1HZ LYS 29 1HZ LYS 29 2.562 -15.018 4.229 221 2HZ LYS 29 2HZ LYS 29 1.170 -15.076 5.203 222 3HZ LYS 29 3HZ LYS 29 2.475 -14.080 5.638 223 H VAL 30 H VAL 30 -3.947 -14.362 0.613 224 HA VAL 30 HA VAL 30 -4.565 -13.309 -2.109 225 HB VAL 30 HB VAL 30 -6.370 -14.765 -0.147 226 1HG1 VAL 30 1HG1 VAL 30 -6.717 -13.846 -3.012 227 2HG1 VAL 30 2HG1 VAL 30 -7.712 -13.429 -1.618 228 3HG1 VAL 30 3HG1 VAL 30 -7.752 -15.066 -2.270 229 1HG2 VAL 30 1HG2 VAL 30 -6.067 -16.706 -1.612 230 2HG2 VAL 30 2HG2 VAL 30 -4.496 -16.160 -1.028 231 3HG2 VAL 30 3HG2 VAL 30 -5.010 -15.771 -2.670 232 H LEU 31 H LEU 31 -5.252 -11.228 -2.243 233 HA LEU 31 HA LEU 31 -6.367 -9.947 0.222 234 1HB LEU 31 2HB LEU 31 -4.354 -9.106 -1.686 235 2HB LEU 31 1HB LEU 31 -5.677 -7.941 -1.636 236 HG LEU 31 HG LEU 31 -4.858 -8.909 1.019 237 1HD1 LEU 31 1HD1 LEU 31 -2.654 -8.901 -0.070 238 2HD1 LEU 31 2HD1 LEU 31 -2.781 -7.557 1.062 239 3HD1 LEU 31 3HD1 LEU 31 -2.944 -7.269 -0.669 240 1HD2 LEU 31 1HD2 LEU 31 -4.964 -6.089 -0.078 241 2HD2 LEU 31 2HD2 LEU 31 -5.179 -6.611 1.592 242 3HD2 LEU 31 3HD2 LEU 31 -6.417 -6.973 0.391 243 H SER 32 H SER 32 -8.520 -9.585 0.130 244 HA SER 32 HA SER 32 -9.851 -9.423 -2.535 245 1HB SER 32 2HB SER 32 -10.524 -10.917 -0.346 246 2HB SER 32 1HB SER 32 -11.514 -9.486 -0.085 247 HG SER 32 HG SER 32 -12.506 -11.134 -1.406 248 H VAL 33 H VAL 33 -10.275 -7.399 -3.254 249 HA VAL 33 HA VAL 33 -11.106 -5.325 -1.276 250 HB VAL 33 HB VAL 33 -9.771 -3.637 -2.575 251 1HG1 VAL 33 1HG1 VAL 33 -7.857 -5.740 -1.625 252 2HG1 VAL 33 2HG1 VAL 33 -8.995 -5.040 -0.477 253 3HG1 VAL 33 3HG1 VAL 33 -7.848 -4.003 -1.323 254 1HG2 VAL 33 1HG2 VAL 33 -8.395 -6.059 -3.771 255 2HG2 VAL 33 2HG2 VAL 33 -8.094 -4.362 -4.142 256 3HG2 VAL 33 3HG2 VAL 33 -9.608 -5.116 -4.637 257 HA PRO 34 HA PRO 34 -14.281 -4.514 -4.208 258 1HB PRO 34 2HB PRO 34 -14.848 -1.908 -3.536 259 2HB PRO 34 1HB PRO 34 -15.334 -3.303 -2.557 260 1HG PRO 34 2HG PRO 34 -13.149 -1.333 -2.062 261 2HG PRO 34 1HG PRO 34 -14.086 -2.286 -0.900 262 1HD PRO 34 2HD PRO 34 -11.457 -2.860 -1.755 263 2HD PRO 34 1HD PRO 34 -12.539 -3.979 -0.898 264 H GLU 35 H GLU 35 -14.672 -3.424 -6.214 265 HA GLU 35 HA GLU 35 -12.349 -2.515 -7.649 266 1HB GLU 35 2HB GLU 35 -15.300 -2.617 -8.252 267 2HB GLU 35 1HB GLU 35 -14.206 -1.770 -9.346 268 1HG GLU 35 2HG GLU 35 -13.962 -3.835 -10.290 269 2HG GLU 35 1HG GLU 35 -12.820 -4.082 -8.969 270 H SER 36 H SER 36 -11.613 -0.809 -6.261 271 HA SER 36 HA SER 36 -12.260 1.830 -7.096 272 1HB SER 36 2HB SER 36 -14.071 0.808 -5.138 273 2HB SER 36 1HB SER 36 -13.053 2.002 -4.341 274 HG SER 36 HG SER 36 -14.935 2.880 -5.397 275 H THR 37 H THR 37 -11.100 -0.211 -4.417 276 HA THR 37 HA THR 37 -9.307 1.700 -3.258 277 HB THR 37 HB THR 37 -8.101 -0.385 -2.403 278 HG1 THR 37 HG1 THR 37 -8.507 -2.034 -3.649 279 1HG2 THR 37 1HG2 THR 37 -10.670 -1.120 -1.510 280 2HG2 THR 37 2HG2 THR 37 -10.759 0.608 -1.846 281 3HG2 THR 37 3HG2 THR 37 -9.547 -0.011 -0.725 282 HA PRO 38 HA PRO 38 -6.204 1.797 -6.400 283 1HB PRO 38 2HB PRO 38 -4.295 3.114 -4.929 284 2HB PRO 38 1HB PRO 38 -5.707 3.911 -5.641 285 1HG PRO 38 2HG PRO 38 -5.191 3.202 -2.790 286 2HG PRO 38 1HG PRO 38 -6.201 4.494 -3.461 287 1HD PRO 38 2HD PRO 38 -7.135 2.032 -2.430 288 2HD PRO 38 1HD PRO 38 -8.078 3.180 -3.405 289 H PHE 39 H PHE 39 -4.075 0.905 -6.850 290 HA PHE 39 HA PHE 39 -3.513 -1.580 -5.523 291 1HB PHE 39 2HB PHE 39 -2.911 -0.669 -7.959 292 2HB PHE 39 1HB PHE 39 -1.402 -0.236 -7.161 293 HD1 PHE 39 HD1 PHE 39 0.164 -1.823 -7.938 294 HD2 PHE 39 HD2 PHE 39 -3.669 -3.152 -6.522 295 HE1 PHE 39 HE1 PHE 39 0.919 -4.177 -8.101 296 HE2 PHE 39 HE2 PHE 39 -2.910 -5.506 -6.684 297 HZ PHE 39 HZ PHE 39 -0.617 -6.019 -7.474 298 H THR 40 H THR 40 -2.585 1.679 -4.812 299 HA THR 40 HA THR 40 -0.078 1.226 -3.501 300 HB THR 40 HB THR 40 -1.048 3.269 -2.045 301 HG1 THR 40 HG1 THR 40 -2.796 4.110 -2.838 302 1HG2 THR 40 1HG2 THR 40 0.148 4.649 -3.450 303 2HG2 THR 40 2HG2 THR 40 -0.511 3.913 -4.910 304 3HG2 THR 40 3HG2 THR 40 0.744 3.081 -3.992 305 H ALA 41 H ALA 41 -3.441 1.182 -2.308 306 HA ALA 41 HA ALA 41 -2.709 0.441 0.402 307 1HB ALA 41 1HB ALA 41 -4.838 1.574 -0.071 308 2HB ALA 41 2HB ALA 41 -5.138 0.004 0.671 309 3HB ALA 41 3HB ALA 41 -5.356 0.214 -1.066 310 H VAL 42 H VAL 42 -3.880 -1.358 -2.462 311 HA VAL 42 HA VAL 42 -4.094 -3.923 -1.230 312 HB VAL 42 HB VAL 42 -3.309 -3.264 -4.091 313 1HG1 VAL 42 1HG1 VAL 42 -2.953 -5.509 -4.157 314 2HG1 VAL 42 2HG1 VAL 42 -4.711 -5.623 -4.135 315 3HG1 VAL 42 3HG1 VAL 42 -3.799 -5.784 -2.634 316 1HG2 VAL 42 1HG2 VAL 42 -5.913 -3.390 -2.614 317 2HG2 VAL 42 2HG2 VAL 42 -5.874 -3.954 -4.285 318 3HG2 VAL 42 3HG2 VAL 42 -5.409 -2.296 -3.903 319 H LEU 43 H LEU 43 -1.344 -2.425 -2.958 320 HA LEU 43 HA LEU 43 0.501 -4.585 -2.527 321 1HB LEU 43 2HB LEU 43 0.723 -2.654 -4.189 322 2HB LEU 43 1HB LEU 43 1.234 -1.661 -2.825 323 HG LEU 43 HG LEU 43 2.617 -4.259 -3.007 324 1HD1 LEU 43 1HD1 LEU 43 2.698 -4.020 -5.330 325 2HD1 LEU 43 2HD1 LEU 43 4.146 -3.147 -4.832 326 3HD1 LEU 43 3HD1 LEU 43 2.682 -2.258 -5.249 327 1HD2 LEU 43 1HD2 LEU 43 4.519 -2.318 -2.955 328 2HD2 LEU 43 2HD2 LEU 43 3.694 -2.899 -1.509 329 3HD2 LEU 43 3HD2 LEU 43 3.146 -1.422 -2.302 330 H LYS 44 H LYS 44 -0.352 -1.715 -0.625 331 HA LYS 44 HA LYS 44 1.758 -1.847 1.296 332 1HB LYS 44 2HB LYS 44 -0.330 -0.144 0.865 333 2HB LYS 44 1HB LYS 44 -0.909 -1.010 2.285 334 1HG LYS 44 2HG LYS 44 1.864 -0.387 2.668 335 2HG LYS 44 1HG LYS 44 1.020 1.081 2.177 336 1HD LYS 44 2HD LYS 44 -0.325 -0.628 4.216 337 2HD LYS 44 1HD LYS 44 1.102 0.266 4.737 338 1HE LYS 44 2HE LYS 44 -0.031 2.211 4.759 339 2HE LYS 44 1HE LYS 44 -0.626 1.946 3.122 340 1HZ LYS 44 1HZ LYS 44 -2.564 1.151 3.868 341 2HZ LYS 44 2HZ LYS 44 -2.164 1.941 5.315 342 3HZ LYS 44 3HZ LYS 44 -1.857 0.281 5.140 343 H PHE 45 H PHE 45 -1.497 -3.315 1.284 344 HA PHE 45 HA PHE 45 -1.224 -4.598 3.850 345 1HB PHE 45 2HB PHE 45 -3.021 -5.230 1.488 346 2HB PHE 45 1HB PHE 45 -3.171 -5.978 3.076 347 HD1 PHE 45 HD1 PHE 45 -4.959 -3.895 1.291 348 HD2 PHE 45 HD2 PHE 45 -2.583 -3.670 4.866 349 HE1 PHE 45 HE1 PHE 45 -6.311 -1.969 2.071 350 HE2 PHE 45 HE2 PHE 45 -3.937 -1.743 5.641 351 HZ PHE 45 HZ PHE 45 -5.799 -0.894 4.246 352 H ALA 46 H ALA 46 -0.698 -5.749 0.502 353 HA ALA 46 HA ALA 46 -0.056 -8.454 1.204 354 1HB ALA 46 1HB ALA 46 0.768 -6.774 -1.182 355 2HB ALA 46 2HB ALA 46 -0.593 -7.890 -1.094 356 3HB ALA 46 3HB ALA 46 1.057 -8.508 -1.048 357 H ALA 47 H ALA 47 2.037 -5.596 0.675 358 HA ALA 47 HA ALA 47 4.527 -6.933 1.114 359 1HB ALA 47 1HB ALA 47 5.269 -4.889 0.532 360 2HB ALA 47 2HB ALA 47 4.721 -4.254 2.082 361 3HB ALA 47 3HB ALA 47 3.638 -4.240 0.693 362 H GLU 48 H GLU 48 2.407 -5.139 3.375 363 HA GLU 48 HA GLU 48 4.053 -5.592 5.695 364 1HB GLU 48 2HB GLU 48 1.370 -4.511 5.131 365 2HB GLU 48 1HB GLU 48 1.508 -5.299 6.702 366 1HG GLU 48 2HG GLU 48 2.155 -3.067 7.134 367 2HG GLU 48 1HG GLU 48 3.686 -3.929 6.983 368 H GLU 49 H GLU 49 1.402 -7.416 4.202 369 HA GLU 49 HA GLU 49 0.977 -9.297 6.313 370 1HB GLU 49 2HB GLU 49 0.343 -9.127 3.426 371 2HB GLU 49 1HB GLU 49 0.455 -10.766 4.067 372 1HG GLU 49 2HG GLU 49 -1.279 -10.418 5.616 373 2HG GLU 49 1HG GLU 49 -1.119 -8.664 5.545 374 H PHE 50 H PHE 50 3.371 -9.170 3.696 375 HA PHE 50 HA PHE 50 4.445 -11.822 4.365 376 1HB PHE 50 2HB PHE 50 5.027 -9.704 2.328 377 2HB PHE 50 1HB PHE 50 6.326 -10.822 2.740 378 HD1 PHE 50 HD1 PHE 50 5.638 -13.373 2.828 379 HD2 PHE 50 HD2 PHE 50 3.459 -10.337 0.709 380 HE1 PHE 50 HE1 PHE 50 4.581 -15.115 1.419 381 HE2 PHE 50 HE2 PHE 50 2.402 -12.082 -0.701 382 HZ PHE 50 HZ PHE 50 2.963 -14.471 -0.344 383 H LYS 51 H LYS 51 6.387 -8.875 3.960 384 HA LYS 51 HA LYS 51 7.036 -8.329 6.640 385 1HB LYS 51 2HB LYS 51 8.018 -10.841 6.041 386 2HB LYS 51 1HB LYS 51 9.423 -9.812 5.769 387 1HG LYS 51 2HG LYS 51 9.152 -8.812 7.995 388 2HG LYS 51 1HG LYS 51 7.709 -9.786 8.274 389 1HD LYS 51 2HD LYS 51 9.342 -11.793 7.719 390 2HD LYS 51 1HD LYS 51 10.582 -10.631 8.197 391 1HE LYS 51 2HE LYS 51 8.263 -10.723 10.010 392 2HE LYS 51 1HE LYS 51 9.187 -12.224 9.951 393 1HZ LYS 51 1HZ LYS 51 10.165 -9.508 10.623 394 2HZ LYS 51 2HZ LYS 51 11.215 -10.796 10.261 395 3HZ LYS 51 3HZ LYS 51 10.176 -10.894 11.601 396 H VAL 52 H VAL 52 6.825 -7.026 4.021 397 HA VAL 52 HA VAL 52 9.445 -5.594 4.045 398 HB VAL 52 HB VAL 52 9.101 -5.304 1.512 399 1HG1 VAL 52 1HG1 VAL 52 10.693 -6.941 2.799 400 2HG1 VAL 52 2HG1 VAL 52 10.446 -7.160 1.068 401 3HG1 VAL 52 3HG1 VAL 52 9.587 -8.185 2.217 402 1HG2 VAL 52 1HG2 VAL 52 7.786 -7.053 0.402 403 2HG2 VAL 52 2HG2 VAL 52 6.753 -6.121 1.484 404 3HG2 VAL 52 3HG2 VAL 52 7.318 -7.719 1.966 405 HA PRO 53 HA PRO 53 6.859 -2.030 4.248 406 1HB PRO 53 2HB PRO 53 8.623 -0.154 3.284 407 2HB PRO 53 1HB PRO 53 8.722 -0.854 4.909 408 1HG PRO 53 2HG PRO 53 10.414 -1.414 2.517 409 2HG PRO 53 1HG PRO 53 10.821 -1.551 4.235 410 1HD PRO 53 2HD PRO 53 10.165 -3.700 2.520 411 2HD PRO 53 1HD PRO 53 10.223 -3.765 4.294 412 H ALA 54 H ALA 54 5.342 -1.089 2.916 413 HA ALA 54 HA ALA 54 5.096 -1.795 0.165 414 1HB ALA 54 1HB ALA 54 3.163 -0.444 0.143 415 2HB ALA 54 2HB ALA 54 3.816 0.663 1.351 416 3HB ALA 54 3HB ALA 54 3.296 -0.952 1.826 417 H ALA 55 H ALA 55 6.469 1.089 1.720 418 HA ALA 55 HA ALA 55 6.758 2.715 -0.605 419 1HB ALA 55 1HB ALA 55 7.828 2.671 2.128 420 2HB ALA 55 2HB ALA 55 7.357 4.045 1.130 421 3HB ALA 55 3HB ALA 55 8.962 3.337 0.952 422 H THR 56 H THR 56 8.772 0.101 0.693 423 HA THR 56 HA THR 56 10.575 0.385 -1.679 424 HB THR 56 HB THR 56 11.175 -1.138 0.874 425 HG1 THR 56 HG1 THR 56 11.653 0.684 1.765 426 1HG2 THR 56 1HG2 THR 56 12.498 -0.771 -1.667 427 2HG2 THR 56 2HG2 THR 56 12.973 -1.790 -0.308 428 3HG2 THR 56 3HG2 THR 56 13.489 -0.105 -0.368 429 H SER 57 H SER 57 8.073 -0.863 -2.034 430 HA SER 57 HA SER 57 8.953 -3.640 -2.622 431 1HB SER 57 2HB SER 57 6.623 -2.849 -0.918 432 2HB SER 57 1HB SER 57 6.499 -4.288 -1.920 433 HG SER 57 HG SER 57 7.800 -3.941 0.400 434 H ALA 58 H ALA 58 7.884 -4.587 -4.372 435 HA ALA 58 HA ALA 58 5.903 -2.949 -5.872 436 1HB ALA 58 1HB ALA 58 8.163 -2.430 -6.788 437 2HB ALA 58 2HB ALA 58 7.148 -3.263 -7.964 438 3HB ALA 58 3HB ALA 58 8.407 -4.148 -7.103 439 H ILE 59 H ILE 59 4.890 -4.331 -7.671 440 HA ILE 59 HA ILE 59 4.939 -7.225 -6.894 441 HB ILE 59 HB ILE 59 2.617 -5.369 -7.348 442 1HG1 ILE 59 2HG1 ILE 59 2.901 -7.727 -5.474 443 2HG1 ILE 59 1HG1 ILE 59 3.551 -6.137 -5.073 444 1HG2 ILE 59 1HG2 ILE 59 2.653 -8.356 -7.873 445 2HG2 ILE 59 2HG2 ILE 59 2.171 -7.081 -8.991 446 3HG2 ILE 59 3HG2 ILE 59 1.174 -7.439 -7.582 447 1HD1 ILE 59 1HD1 ILE 59 1.451 -5.910 -4.150 448 2HD1 ILE 59 2HD1 ILE 59 0.709 -7.023 -5.300 449 3HD1 ILE 59 3HD1 ILE 59 1.090 -5.373 -5.791 450 H ILE 60 H ILE 60 5.028 -8.684 -8.587 451 HA ILE 60 HA ILE 60 5.094 -7.507 -11.337 452 HB ILE 60 HB ILE 60 6.648 -9.299 -11.958 453 1HG1 ILE 60 2HG1 ILE 60 7.249 -10.221 -9.254 454 2HG1 ILE 60 1HG1 ILE 60 5.591 -10.600 -9.718 455 1HG2 ILE 60 1HG2 ILE 60 8.118 -8.529 -9.592 456 2HG2 ILE 60 2HG2 ILE 60 7.192 -7.157 -10.197 457 3HG2 ILE 60 3HG2 ILE 60 8.333 -7.985 -11.257 458 1HD1 ILE 60 1HD1 ILE 60 6.783 -11.326 -11.995 459 2HD1 ILE 60 2HD1 ILE 60 6.657 -12.434 -10.629 460 3HD1 ILE 60 3HD1 ILE 60 8.157 -11.553 -10.912 461 H THR 61 H THR 61 4.476 -9.146 -13.072 462 HA THR 61 HA THR 61 2.057 -10.624 -12.154 463 HB THR 61 HB THR 61 2.847 -9.904 -14.994 464 HG1 THR 61 HG1 THR 61 1.965 -8.016 -14.671 465 1HG2 THR 61 1HG2 THR 61 0.288 -10.113 -15.227 466 2HG2 THR 61 2HG2 THR 61 0.338 -10.932 -13.666 467 3HG2 THR 61 3HG2 THR 61 1.201 -11.610 -15.048 468 H ASN 62 H ASN 62 1.618 -12.745 -13.176 469 HA ASN 62 HA ASN 62 3.735 -14.604 -12.886 470 1HB ASN 62 2HB ASN 62 1.099 -14.892 -13.040 471 2HB ASN 62 1HB ASN 62 1.462 -15.235 -14.730 472 1HD2 ASN 62 1HD2 ASN 62 2.509 -17.242 -15.230 473 2HD2 ASN 62 2HD2 ASN 62 2.866 -18.411 -14.053 474 H ASP 63 H ASP 63 2.797 -12.707 -15.693 475 HA ASP 63 HA ASP 63 4.276 -14.353 -17.604 476 1HB ASP 63 2HB ASP 63 3.109 -11.559 -17.805 477 2HB ASP 63 1HB ASP 63 3.864 -12.413 -19.150 478 H GLY 64 H GLY 64 4.827 -11.222 -15.964 479 1HA GLY 64 2HA GLY 64 7.336 -11.139 -15.214 480 2HA GLY 64 1HA GLY 64 7.644 -11.260 -16.945 481 H VAL 65 H VAL 65 5.281 -9.372 -15.022 482 HA VAL 65 HA VAL 65 6.386 -6.894 -16.284 483 HB VAL 65 HB VAL 65 3.457 -7.484 -15.739 484 1HG1 VAL 65 1HG1 VAL 65 3.311 -5.229 -15.786 485 2HG1 VAL 65 2HG1 VAL 65 3.681 -5.348 -17.505 486 3HG1 VAL 65 3HG1 VAL 65 4.975 -5.057 -16.343 487 1HG2 VAL 65 1HG2 VAL 65 5.190 -8.065 -18.017 488 2HG2 VAL 65 2HG2 VAL 65 3.843 -7.022 -18.470 489 3HG2 VAL 65 3HG2 VAL 65 3.532 -8.585 -17.715 490 H GLY 66 H GLY 66 7.318 -5.791 -14.631 491 1HA GLY 66 2HA GLY 66 6.525 -6.134 -11.859 492 2HA GLY 66 1HA GLY 66 7.724 -4.990 -12.456 493 H VAL 67 H VAL 67 4.264 -5.510 -12.010 494 HA VAL 67 HA VAL 67 3.508 -2.825 -12.809 495 HB VAL 67 HB VAL 67 1.299 -3.396 -11.796 496 1HG1 VAL 67 1HG1 VAL 67 2.712 -5.112 -13.787 497 2HG1 VAL 67 2HG1 VAL 67 1.303 -4.072 -13.997 498 3HG1 VAL 67 3HG1 VAL 67 1.128 -5.649 -13.228 499 1HG2 VAL 67 1HG2 VAL 67 2.447 -4.897 -10.003 500 2HG2 VAL 67 2HG2 VAL 67 2.421 -6.145 -11.248 501 3HG2 VAL 67 3HG2 VAL 67 0.911 -5.438 -10.675 502 H ASN 68 H ASN 68 3.156 -1.033 -11.538 503 HA ASN 68 HA ASN 68 4.261 -1.150 -8.773 504 1HB ASN 68 2HB ASN 68 4.019 0.982 -10.871 505 2HB ASN 68 1HB ASN 68 4.084 1.466 -9.177 506 1HD2 ASN 68 1HD2 ASN 68 6.234 2.236 -9.006 507 2HD2 ASN 68 2HD2 ASN 68 7.603 1.302 -9.373 508 HA PRO 69 HA PRO 69 0.368 -0.245 -6.945 509 1HB PRO 69 2HB PRO 69 1.131 1.408 -4.880 510 2HB PRO 69 1HB PRO 69 1.410 -0.341 -4.892 511 1HG PRO 69 2HG PRO 69 3.357 1.875 -5.326 512 2HG PRO 69 1HG PRO 69 3.641 0.236 -4.718 513 1HD PRO 69 2HD PRO 69 4.178 1.148 -7.342 514 2HD PRO 69 1HD PRO 69 4.143 -0.547 -6.813 515 H ALA 70 H ALA 70 0.189 1.151 -9.137 516 HA ALA 70 HA ALA 70 -0.744 3.851 -8.309 517 1HB ALA 70 1HB ALA 70 0.995 3.354 -10.747 518 2HB ALA 70 2HB ALA 70 1.551 4.106 -9.252 519 3HB ALA 70 3HB ALA 70 0.330 4.907 -10.239 520 H GLN 71 H GLN 71 -2.104 1.308 -9.011 521 HA GLN 71 HA GLN 71 -3.762 2.343 -11.269 522 1HB GLN 71 2HB GLN 71 -2.615 -0.436 -10.933 523 2HB GLN 71 1HB GLN 71 -4.014 -0.122 -11.957 524 1HG GLN 71 2HG GLN 71 -2.783 1.033 -13.525 525 2HG GLN 71 1HG GLN 71 -1.624 1.624 -12.335 526 1HE2 GLN 71 1HE2 GLN 71 0.169 0.211 -11.741 527 2HE2 GLN 71 2HE2 GLN 71 0.544 -1.173 -12.648 528 HA PRO 72 HA PRO 72 -7.131 1.291 -8.629 529 1HB PRO 72 2HB PRO 72 -9.070 0.729 -10.498 530 2HB PRO 72 1HB PRO 72 -8.519 2.368 -10.117 531 1HG PRO 72 2HG PRO 72 -7.915 0.694 -12.509 532 2HG PRO 72 1HG PRO 72 -7.951 2.458 -12.355 533 1HD PRO 72 2HD PRO 72 -5.623 0.854 -12.403 534 2HD PRO 72 1HD PRO 72 -5.705 2.557 -11.900 535 H ALA 73 H ALA 73 -8.142 -0.533 -7.691 536 HA ALA 73 HA ALA 73 -7.017 -3.096 -8.053 537 1HB ALA 73 1HB ALA 73 -8.960 -3.932 -6.735 538 2HB ALA 73 2HB ALA 73 -9.739 -2.362 -6.930 539 3HB ALA 73 3HB ALA 73 -8.235 -2.492 -6.020 540 H GLY 74 H GLY 74 -10.024 -1.756 -9.444 541 1HA GLY 74 2HA GLY 74 -10.974 -4.112 -10.708 542 2HA GLY 74 1HA GLY 74 -11.303 -2.474 -11.273 543 H ASN 75 H ASN 75 -8.706 -1.623 -11.921 544 HA ASN 75 HA ASN 75 -8.335 -2.832 -14.511 545 1HB ASN 75 2HB ASN 75 -7.764 -0.457 -13.954 546 2HB ASN 75 1HB ASN 75 -6.405 -1.048 -12.996 547 1HD2 ASN 75 1HD2 ASN 75 -7.730 -1.128 -16.344 548 2HD2 ASN 75 2HD2 ASN 75 -6.220 -1.314 -17.096 549 H ILE 76 H ILE 76 -6.595 -3.151 -11.413 550 HA ILE 76 HA ILE 76 -4.413 -4.727 -12.364 551 HB ILE 76 HB ILE 76 -5.775 -4.774 -9.648 552 1HG1 ILE 76 2HG1 ILE 76 -4.890 -2.548 -10.393 553 2HG1 ILE 76 1HG1 ILE 76 -4.052 -3.185 -8.981 554 1HG2 ILE 76 1HG2 ILE 76 -4.236 -6.272 -8.953 555 2HG2 ILE 76 2HG2 ILE 76 -2.922 -5.389 -9.727 556 3HG2 ILE 76 3HG2 ILE 76 -3.869 -6.551 -10.655 557 1HD1 ILE 76 1HD1 ILE 76 -2.972 -3.797 -11.714 558 2HD1 ILE 76 2HD1 ILE 76 -2.114 -3.665 -10.180 559 3HD1 ILE 76 3HD1 ILE 76 -2.671 -2.212 -11.006 560 H PHE 77 H PHE 77 -7.667 -5.659 -11.241 561 HA PHE 77 HA PHE 77 -7.186 -8.513 -11.506 562 1HB PHE 77 2HB PHE 77 -8.995 -7.355 -10.083 563 2HB PHE 77 1HB PHE 77 -9.893 -7.168 -11.588 564 HD1 PHE 77 HD1 PHE 77 -8.557 -9.587 -9.141 565 HD2 PHE 77 HD2 PHE 77 -10.823 -9.094 -12.758 566 HE1 PHE 77 HE1 PHE 77 -9.354 -11.927 -8.961 567 HE2 PHE 77 HE2 PHE 77 -11.619 -11.436 -12.577 568 HZ PHE 77 HZ PHE 77 -10.884 -12.851 -10.679 569 H LEU 78 H LEU 78 -8.623 -6.004 -13.584 570 HA LEU 78 HA LEU 78 -9.540 -7.767 -15.656 571 1HB LEU 78 2HB LEU 78 -8.817 -4.832 -15.600 572 2HB LEU 78 1HB LEU 78 -9.347 -5.627 -17.083 573 HG LEU 78 HG LEU 78 -10.948 -5.840 -14.532 574 1HD1 LEU 78 1HD1 LEU 78 -11.047 -3.534 -14.756 575 2HD1 LEU 78 2HD1 LEU 78 -12.357 -4.007 -15.837 576 3HD1 LEU 78 3HD1 LEU 78 -10.778 -3.586 -16.498 577 1HD2 LEU 78 1HD2 LEU 78 -12.784 -6.185 -16.226 578 2HD2 LEU 78 2HD2 LEU 78 -11.533 -7.426 -16.273 579 3HD2 LEU 78 3HD2 LEU 78 -11.554 -6.150 -17.489 580 H LYS 79 H LYS 79 -6.407 -6.234 -15.030 581 HA LYS 79 HA LYS 79 -5.303 -7.124 -17.609 582 1HB LYS 79 2HB LYS 79 -4.435 -5.390 -15.374 583 2HB LYS 79 1HB LYS 79 -3.144 -6.296 -16.162 584 1HG LYS 79 2HG LYS 79 -3.924 -5.447 -18.363 585 2HG LYS 79 1HG LYS 79 -5.152 -4.487 -17.537 586 1HD LYS 79 2HD LYS 79 -3.654 -2.866 -17.106 587 2HD LYS 79 1HD LYS 79 -2.586 -4.021 -16.308 588 1HE LYS 79 2HE LYS 79 -1.867 -4.740 -18.667 589 2HE LYS 79 1HE LYS 79 -2.673 -3.277 -19.234 590 1HZ LYS 79 1HZ LYS 79 -0.274 -2.983 -18.782 591 2HZ LYS 79 2HZ LYS 79 -0.572 -3.314 -17.142 592 3HZ LYS 79 3HZ LYS 79 -1.262 -1.946 -17.873 593 H HIS 80 H HIS 80 -4.497 -7.751 -14.164 594 HA HIS 80 HA HIS 80 -3.084 -10.226 -15.012 595 1HB HIS 80 2HB HIS 80 -3.182 -9.258 -12.166 596 2HB HIS 80 1HB HIS 80 -1.900 -10.134 -13.000 597 HD1 HIS 80 HD1 HIS 80 -1.066 -8.535 -15.278 598 HD2 HIS 80 HD2 HIS 80 -2.381 -6.655 -11.799 599 HE1 HIS 80 HE1 HIS 80 -0.172 -6.168 -15.361 600 H GLY 81 H GLY 81 -5.408 -9.286 -12.432 601 1HA GLY 81 2HA GLY 81 -7.499 -10.525 -12.105 602 2HA GLY 81 1HA GLY 81 -6.715 -11.946 -12.794 603 H SER 82 H SER 82 -5.652 -13.347 -11.421 604 HA SER 82 HA SER 82 -5.175 -12.456 -8.611 605 1HB SER 82 2HB SER 82 -7.250 -14.146 -9.352 606 2HB SER 82 1HB SER 82 -5.989 -15.264 -8.842 607 HG SER 82 HG SER 82 -7.355 -14.499 -7.119 608 H GLU 83 H GLU 83 -3.226 -12.626 -10.675 609 HA GLU 83 HA GLU 83 -1.519 -14.815 -9.585 610 1HB GLU 83 2HB GLU 83 -2.258 -14.303 -12.441 611 2HB GLU 83 1HB GLU 83 -0.611 -14.830 -12.095 612 1HG GLU 83 2HG GLU 83 -2.831 -16.307 -10.753 613 2HG GLU 83 1HG GLU 83 -2.599 -16.584 -12.479 614 H LEU 84 H LEU 84 -0.505 -13.141 -8.332 615 HA LEU 84 HA LEU 84 1.353 -11.434 -9.933 616 1HB LEU 84 2HB LEU 84 -0.287 -10.589 -7.525 617 2HB LEU 84 1HB LEU 84 1.032 -9.637 -8.204 618 HG LEU 84 HG LEU 84 -1.115 -10.580 -10.061 619 1HD1 LEU 84 1HD1 LEU 84 -1.405 -8.225 -8.171 620 2HD1 LEU 84 2HD1 LEU 84 -2.376 -9.696 -8.142 621 3HD1 LEU 84 3HD1 LEU 84 -2.486 -8.596 -9.514 622 1HD2 LEU 84 1HD2 LEU 84 0.933 -9.330 -10.802 623 2HD2 LEU 84 2HD2 LEU 84 0.400 -7.963 -9.825 624 3HD2 LEU 84 3HD2 LEU 84 -0.572 -8.499 -11.194 625 H ARG 85 H ARG 85 3.205 -10.630 -8.528 626 HA ARG 85 HA ARG 85 3.860 -12.520 -6.309 627 1HB ARG 85 2HB ARG 85 5.283 -12.104 -8.873 628 2HB ARG 85 1HB ARG 85 6.308 -12.116 -7.438 629 1HG ARG 85 2HG ARG 85 5.859 -14.321 -6.966 630 2HG ARG 85 1HG ARG 85 4.229 -14.242 -7.635 631 1HD ARG 85 2HD ARG 85 6.587 -13.959 -9.473 632 2HD ARG 85 1HD ARG 85 6.103 -15.564 -8.929 633 HE ARG 85 HE ARG 85 4.738 -14.016 -10.919 634 1HH1 ARG 85 2HH1 ARG 85 4.614 -17.001 -9.674 635 2HH1 ARG 85 1HH1 ARG 85 2.893 -17.133 -9.540 636 1HH2 ARG 85 1HH2 ARG 85 2.324 -13.752 -10.112 637 2HH2 ARG 85 2HH2 ARG 85 1.591 -15.286 -9.788 638 H LEU 86 H LEU 86 5.263 -11.620 -4.700 639 HA LEU 86 HA LEU 86 5.380 -8.643 -4.769 640 1HB LEU 86 2HB LEU 86 4.319 -10.123 -2.837 641 2HB LEU 86 1HB LEU 86 5.995 -10.213 -2.297 642 HG LEU 86 HG LEU 86 5.451 -7.506 -3.048 643 1HD1 LEU 86 1HD1 LEU 86 3.741 -7.247 -1.031 644 2HD1 LEU 86 2HD1 LEU 86 3.289 -8.885 -1.504 645 3HD1 LEU 86 3HD1 LEU 86 3.169 -7.566 -2.669 646 1HD2 LEU 86 1HD2 LEU 86 5.637 -8.490 -0.211 647 2HD2 LEU 86 2HD2 LEU 86 6.359 -7.055 -0.940 648 3HD2 LEU 86 3HD2 LEU 86 7.024 -8.651 -1.286 649 H ILE 87 H ILE 87 7.303 -7.610 -4.850 650 HA ILE 87 HA ILE 87 9.797 -9.091 -4.183 651 HB ILE 87 HB ILE 87 9.533 -9.301 -6.613 652 1HG1 ILE 87 2HG1 ILE 87 11.580 -7.135 -6.052 653 2HG1 ILE 87 1HG1 ILE 87 11.803 -8.820 -5.584 654 1HG2 ILE 87 1HG2 ILE 87 8.478 -7.691 -7.770 655 2HG2 ILE 87 2HG2 ILE 87 9.852 -6.621 -7.501 656 3HG2 ILE 87 3HG2 ILE 87 8.506 -6.626 -6.365 657 1HD1 ILE 87 1HD1 ILE 87 12.589 -9.235 -7.650 658 2HD1 ILE 87 2HD1 ILE 87 12.195 -7.597 -8.171 659 3HD1 ILE 87 3HD1 ILE 87 10.985 -8.874 -8.287 660 HA PRO 88 HA PRO 88 10.521 -5.227 -2.143 661 1HB PRO 88 2HB PRO 88 13.125 -5.728 -1.405 662 2HB PRO 88 1HB PRO 88 11.717 -6.408 -0.570 663 1HG PRO 88 2HG PRO 88 13.608 -7.744 -2.458 664 2HG PRO 88 1HG PRO 88 12.664 -8.443 -1.131 665 1HD PRO 88 2HD PRO 88 12.015 -8.624 -3.864 666 2HD PRO 88 1HD PRO 88 10.903 -8.949 -2.518 667 H ARG 89 H ARG 89 10.485 -3.780 -3.912 668 HA ARG 89 HA ARG 89 13.157 -3.046 -4.998 669 1HB ARG 89 2HB ARG 89 11.707 -4.520 -6.595 670 2HB ARG 89 1HB ARG 89 10.736 -3.062 -6.796 671 1HG ARG 89 2HG ARG 89 13.191 -1.995 -7.137 672 2HG ARG 89 1HG ARG 89 13.510 -3.633 -7.707 673 1HD ARG 89 2HD ARG 89 12.800 -2.275 -9.594 674 2HD ARG 89 1HD ARG 89 11.528 -3.440 -9.226 675 HE ARG 89 HE ARG 89 10.724 -1.254 -7.787 676 1HH1 ARG 89 2HH1 ARG 89 9.350 -2.043 -10.336 677 2HH1 ARG 89 1HH1 ARG 89 9.497 -0.601 -11.286 678 1HH2 ARG 89 1HH2 ARG 89 12.000 0.768 -9.303 679 2HH2 ARG 89 2HH2 ARG 89 11.008 0.988 -10.707 680 H ASP 90 H ASP 90 13.445 -0.833 -5.022 681 HA ASP 90 HA ASP 90 11.236 0.829 -3.986 682 1HB ASP 90 2HB ASP 90 13.963 0.857 -3.571 683 2HB ASP 90 1HB ASP 90 13.744 2.189 -4.706 684 H ARG 91 H ARG 91 10.602 2.836 -5.053 685 HA ARG 91 HA ARG 91 10.312 2.525 -7.939 686 1HB ARG 91 2HB ARG 91 9.270 4.343 -5.840 687 2HB ARG 91 1HB ARG 91 9.422 5.053 -7.447 688 1HG ARG 91 2HG ARG 91 7.661 3.881 -8.226 689 2HG ARG 91 1HG ARG 91 8.293 2.370 -7.569 690 1HD ARG 91 2HD ARG 91 7.449 3.919 -5.348 691 2HD ARG 91 1HD ARG 91 6.164 4.023 -6.552 692 HE ARG 91 HE ARG 91 5.931 1.606 -6.444 693 1HH1 ARG 91 1HH2 ARG 91 5.862 2.394 -3.538 694 2HH1 ARG 91 2HH2 ARG 91 6.979 1.269 -2.841 695 1HH2 ARG 91 2HH1 ARG 91 8.408 0.399 -5.883 696 2HH2 ARG 91 1HH1 ARG 91 8.425 0.137 -4.171 697 H VAL 92 H VAL 92 12.221 2.800 -9.043 698 HA VAL 92 HA VAL 92 13.843 5.241 -8.465 699 HB VAL 92 HB VAL 92 14.610 2.741 -10.008 700 1HG1 VAL 92 1HG1 VAL 92 16.118 5.225 -9.168 701 2HG1 VAL 92 2HG1 VAL 92 15.926 4.573 -10.795 702 3HG1 VAL 92 3HG1 VAL 92 16.937 3.731 -9.622 703 1HG2 VAL 92 1HG2 VAL 92 14.876 1.822 -7.959 704 2HG2 VAL 92 2HG2 VAL 92 14.553 3.359 -7.157 705 3HG2 VAL 92 3HG2 VAL 92 16.185 2.976 -7.706 706 H GLY 93 H GLY 93 13.065 3.230 -11.340 707 1HA GLY 93 2HA GLY 93 12.964 5.732 -12.958 708 2HA GLY 93 1HA GLY 93 13.182 4.107 -13.609 709 H HIS 94 HN HIS 94 11.200 2.620 -12.707 710 HA HIS 94 HA HIS 94 8.726 4.073 -13.548 711 1HB HIS 94 2HB HIS 94 9.744 1.983 -14.830 712 2HB HIS 94 1HB HIS 94 8.910 1.081 -13.567 713 HD1 HIS 94 HD1 HIS 94 8.303 3.260 -16.546 714 HD2 HIS 94 HD2 HIS 94 6.051 1.290 -13.649 715 HE1 HIS 94 HE1 HIS 94 5.902 3.306 -17.352 Start of MODEL 5 1 1H MET 1 1H MET 1 -17.773 -1.289 -4.158 2 2H MET 1 2H MET 1 -18.432 -0.401 -5.448 3 3H MET 1 3H MET 1 -19.210 -1.807 -4.894 4 HA MET 1 HA MET 1 -19.833 -0.800 -2.859 5 1HB MET 1 2HB MET 1 -17.792 1.213 -3.710 6 2HB MET 1 1HB MET 1 -19.180 1.802 -2.798 7 1HG MET 1 2HG MET 1 -18.683 -0.142 -1.165 8 2HG MET 1 1HG MET 1 -17.108 -0.219 -1.953 9 1HE MET 1 1HE MET 1 -16.451 1.494 1.475 10 2HE MET 1 2HE MET 1 -16.293 0.046 0.482 11 3HE MET 1 3HE MET 1 -17.853 0.448 1.196 12 H SER 2 H SER 2 -19.403 1.828 -5.243 13 HA SER 2 HA SER 2 -22.360 2.035 -5.404 14 1HB SER 2 2HB SER 2 -20.362 3.941 -5.101 15 2HB SER 2 1HB SER 2 -20.820 4.093 -6.794 16 HG SER 2 HG SER 2 -22.079 5.096 -4.788 17 H GLY 3 H GLY 3 -22.922 0.487 -6.909 18 1HA GLY 3 2HA GLY 3 -21.600 0.486 -9.573 19 2HA GLY 3 1HA GLY 3 -22.782 -0.705 -9.005 20 H GLY 4 H GLY 4 -22.657 2.839 -9.326 21 1HA GLY 4 2HA GLY 4 -24.062 4.216 -10.683 22 2HA GLY 4 1HA GLY 4 -25.101 2.820 -10.993 23 H THR 5 H THR 5 -26.200 1.934 -8.941 24 HA THR 5 HA THR 5 -26.715 3.859 -6.777 25 HB THR 5 HB THR 5 -29.221 3.768 -7.182 26 HG1 THR 5 HG1 THR 5 -29.313 2.072 -8.619 27 1HG2 THR 5 1HG2 THR 5 -29.211 5.641 -8.649 28 2HG2 THR 5 2HG2 THR 5 -27.746 5.092 -9.463 29 3HG2 THR 5 3HG2 THR 5 -27.661 5.695 -7.808 30 H ALA 6 H ALA 6 -25.508 1.435 -6.589 31 HA ALA 6 HA ALA 6 -27.621 -0.407 -5.551 32 1HB ALA 6 1HB ALA 6 -24.786 -1.201 -6.216 33 2HB ALA 6 2HB ALA 6 -26.041 -1.151 -7.456 34 3HB ALA 6 3HB ALA 6 -26.209 -2.233 -6.073 35 H ALA 7 H ALA 7 -27.783 0.239 -3.427 36 HA ALA 7 HA ALA 7 -25.518 0.998 -1.795 37 1HB ALA 7 1HB ALA 7 -27.175 0.753 0.096 38 2HB ALA 7 2HB ALA 7 -28.354 0.194 -1.089 39 3HB ALA 7 3HB ALA 7 -27.707 1.831 -1.194 40 H THR 8 H THR 8 -23.976 -0.603 -1.698 41 HA THR 8 HA THR 8 -24.697 -3.022 -0.155 42 HB THR 8 HB THR 8 -24.867 -3.638 -2.576 43 HG1 THR 8 HG1 THR 8 -24.242 -5.451 -1.770 44 1HG2 THR 8 1HG2 THR 8 -21.920 -3.498 -2.895 45 2HG2 THR 8 2HG2 THR 8 -22.782 -1.962 -2.972 46 3HG2 THR 8 3HG2 THR 8 -23.197 -3.261 -4.089 47 H THR 9 H THR 9 -22.879 -3.937 0.940 48 HA THR 9 HA THR 9 -20.861 -2.036 1.730 49 HB THR 9 HB THR 9 -20.871 -5.037 2.184 50 HG1 THR 9 HG1 THR 9 -22.637 -4.551 3.217 51 1HG2 THR 9 1HG2 THR 9 -19.797 -3.003 4.101 52 2HG2 THR 9 2HG2 THR 9 -18.821 -3.435 2.697 53 3HG2 THR 9 3HG2 THR 9 -19.302 -4.678 3.851 54 H ALA 10 H ALA 10 -20.752 -4.975 -0.317 55 HA ALA 10 HA ALA 10 -18.158 -3.968 -1.417 56 1HB ALA 10 1HB ALA 10 -17.162 -6.052 -1.260 57 2HB ALA 10 2HB ALA 10 -18.701 -6.910 -1.327 58 3HB ALA 10 3HB ALA 10 -18.203 -6.109 0.163 59 H GLY 11 H GLY 11 -20.635 -6.485 -2.141 60 1HA GLY 11 2HA GLY 11 -21.887 -6.811 -4.116 61 2HA GLY 11 1HA GLY 11 -21.289 -5.257 -4.702 62 H SER 12 H SER 12 -19.517 -5.224 -6.079 63 HA SER 12 HA SER 12 -18.489 -7.887 -6.948 64 1HB SER 12 2HB SER 12 -19.518 -6.013 -8.530 65 2HB SER 12 1HB SER 12 -17.889 -5.350 -8.434 66 HG SER 12 HG SER 12 -18.553 -7.094 -10.096 67 H LYS 13 H LYS 13 -16.407 -8.444 -6.479 68 HA LYS 13 HA LYS 13 -14.437 -6.299 -5.869 69 1HB LYS 13 2HB LYS 13 -13.634 -7.689 -3.898 70 2HB LYS 13 1HB LYS 13 -15.187 -6.886 -3.670 71 1HG LYS 13 2HG LYS 13 -16.342 -8.851 -3.613 72 2HG LYS 13 1HG LYS 13 -15.338 -9.593 -4.858 73 1HD LYS 13 2HD LYS 13 -13.487 -9.570 -2.997 74 2HD LYS 13 1HD LYS 13 -14.858 -9.425 -1.897 75 1HE LYS 13 2HE LYS 13 -14.995 -11.681 -2.029 76 2HE LYS 13 1HE LYS 13 -15.683 -11.413 -3.630 77 1HZ LYS 13 1HZ LYS 13 -13.106 -11.252 -4.206 78 2HZ LYS 13 2HZ LYS 13 -13.963 -12.718 -4.225 79 3HZ LYS 13 3HZ LYS 13 -13.016 -12.305 -2.877 80 H VAL 14 H VAL 14 -12.220 -7.006 -6.056 81 HA VAL 14 HA VAL 14 -11.901 -9.435 -7.775 82 HB VAL 14 HB VAL 14 -9.746 -8.275 -8.504 83 1HG1 VAL 14 1HG1 VAL 14 -12.388 -6.885 -9.036 84 2HG1 VAL 14 2HG1 VAL 14 -11.750 -8.273 -9.917 85 3HG1 VAL 14 3HG1 VAL 14 -10.937 -6.712 -10.022 86 1HG2 VAL 14 1HG2 VAL 14 -11.077 -5.944 -7.083 87 2HG2 VAL 14 2HG2 VAL 14 -9.661 -5.824 -8.126 88 3HG2 VAL 14 3HG2 VAL 14 -9.565 -6.715 -6.606 89 H THR 15 H THR 15 -10.375 -10.977 -7.193 90 HA THR 15 HA THR 15 -9.127 -10.631 -4.501 91 HB THR 15 HB THR 15 -9.517 -13.204 -6.064 92 HG1 THR 15 HG1 THR 15 -11.505 -13.097 -5.449 93 1HG2 THR 15 1HG2 THR 15 -8.446 -12.460 -3.391 94 2HG2 THR 15 2HG2 THR 15 -8.000 -13.797 -4.452 95 3HG2 THR 15 3HG2 THR 15 -9.457 -13.904 -3.464 96 H PHE 16 H PHE 16 -6.912 -10.620 -4.310 97 HA PHE 16 HA PHE 16 -5.315 -11.197 -6.782 98 1HB PHE 16 2HB PHE 16 -4.691 -9.203 -4.586 99 2HB PHE 16 1HB PHE 16 -3.706 -9.509 -6.015 100 HD1 PHE 16 HD1 PHE 16 -6.119 -7.369 -4.667 101 HD2 PHE 16 HD2 PHE 16 -5.126 -9.414 -8.312 102 HE1 PHE 16 HE1 PHE 16 -7.468 -5.735 -5.953 103 HE2 PHE 16 HE2 PHE 16 -6.475 -7.781 -9.597 104 HZ PHE 16 HZ PHE 16 -7.646 -5.942 -8.416 105 H LYS 17 H LYS 17 -3.459 -12.439 -6.529 106 HA LYS 17 HA LYS 17 -2.959 -13.530 -3.791 107 1HB LYS 17 2HB LYS 17 -3.519 -14.884 -6.302 108 2HB LYS 17 1HB LYS 17 -1.947 -15.366 -5.658 109 1HG LYS 17 2HG LYS 17 -3.333 -15.470 -3.374 110 2HG LYS 17 1HG LYS 17 -4.669 -15.728 -4.496 111 1HD LYS 17 2HD LYS 17 -2.143 -17.307 -4.859 112 2HD LYS 17 1HD LYS 17 -3.291 -17.816 -3.617 113 1HE LYS 17 2HE LYS 17 -4.378 -18.904 -5.295 114 2HE LYS 17 1HE LYS 17 -4.903 -17.313 -5.822 115 1HZ LYS 17 1HZ LYS 17 -3.460 -17.314 -7.539 116 2HZ LYS 17 2HZ LYS 17 -3.521 -19.006 -7.337 117 3HZ LYS 17 3HZ LYS 17 -2.233 -18.110 -6.664 118 H ILE 18 H ILE 18 -1.122 -12.538 -3.101 119 HA ILE 18 HA ILE 18 1.059 -12.045 -5.070 120 HB ILE 18 HB ILE 18 0.677 -10.936 -2.267 121 1HG1 ILE 18 2HG1 ILE 18 0.511 -8.840 -4.049 122 2HG1 ILE 18 1HG1 ILE 18 -0.321 -10.127 -4.920 123 1HG2 ILE 18 1HG2 ILE 18 2.987 -11.088 -3.863 124 2HG2 ILE 18 2HG2 ILE 18 2.745 -10.061 -2.451 125 3HG2 ILE 18 3HG2 ILE 18 2.397 -9.439 -4.063 126 1HD1 ILE 18 1HD1 ILE 18 -1.723 -8.652 -3.313 127 2HD1 ILE 18 2HD1 ILE 18 -0.938 -9.563 -2.022 128 3HD1 ILE 18 3HD1 ILE 18 -1.932 -10.401 -3.215 129 H THR 19 H THR 19 2.606 -13.577 -5.106 130 HA THR 19 HA THR 19 3.234 -15.065 -2.583 131 HB THR 19 HB THR 19 3.843 -15.927 -5.429 132 HG1 THR 19 HG1 THR 19 1.682 -16.027 -5.325 133 1HG2 THR 19 1HG2 THR 19 4.154 -17.116 -2.700 134 2HG2 THR 19 2HG2 THR 19 5.249 -17.179 -4.081 135 3HG2 THR 19 3HG2 THR 19 3.805 -18.192 -4.054 136 H LEU 20 H LEU 20 5.309 -14.885 -1.790 137 HA LEU 20 HA LEU 20 7.060 -12.841 -2.744 138 1HB LEU 20 2HB LEU 20 6.920 -14.135 -0.419 139 2HB LEU 20 1HB LEU 20 8.177 -15.122 -1.162 140 HG LEU 20 HG LEU 20 9.319 -12.879 -1.755 141 1HD1 LEU 20 1HD1 LEU 20 7.858 -11.159 -1.307 142 2HD1 LEU 20 2HD1 LEU 20 8.636 -11.253 0.273 143 3HD1 LEU 20 3HD1 LEU 20 7.074 -12.027 0.013 144 1HD2 LEU 20 1HD2 LEU 20 9.983 -14.552 0.057 145 2HD2 LEU 20 2HD2 LEU 20 9.115 -13.525 1.197 146 3HD2 LEU 20 3HD2 LEU 20 10.510 -12.891 0.323 147 H THR 21 H THR 21 8.982 -12.948 -3.947 148 HA THR 21 HA THR 21 9.100 -14.983 -5.997 149 HB THR 21 HB THR 21 11.359 -13.813 -6.501 150 HG1 THR 21 HG1 THR 21 11.961 -12.423 -5.074 151 1HG2 THR 21 1HG2 THR 21 10.207 -11.915 -7.522 152 2HG2 THR 21 2HG2 THR 21 8.817 -12.163 -6.466 153 3HG2 THR 21 3HG2 THR 21 9.222 -13.368 -7.688 154 H SER 22 H SER 22 10.662 -14.593 -2.882 155 HA SER 22 HA SER 22 12.896 -16.331 -3.281 156 1HB SER 22 2HB SER 22 11.690 -14.946 -1.092 157 2HB SER 22 1HB SER 22 11.912 -16.624 -0.609 158 HG SER 22 HG SER 22 13.841 -15.730 -0.205 159 H ASP 23 H ASP 23 9.589 -17.011 -2.080 160 HA ASP 23 HA ASP 23 10.142 -19.906 -2.044 161 1HB ASP 23 2HB ASP 23 8.012 -20.154 -1.022 162 2HB ASP 23 1HB ASP 23 8.649 -18.652 -0.360 163 HA PRO 24 HA PRO 24 8.515 -20.776 -6.031 164 1HB PRO 24 2HB PRO 24 7.374 -23.243 -5.585 165 2HB PRO 24 1HB PRO 24 9.121 -22.972 -5.703 166 1HG PRO 24 2HG PRO 24 7.464 -23.505 -3.283 167 2HG PRO 24 1HG PRO 24 9.185 -23.826 -3.559 168 1HD PRO 24 2HD PRO 24 8.113 -21.668 -2.070 169 2HD PRO 24 1HD PRO 24 9.796 -21.830 -2.616 170 H LYS 25 H LYS 25 6.012 -22.194 -3.863 171 HA LYS 25 HA LYS 25 4.034 -20.175 -4.485 172 1HB LYS 25 2HB LYS 25 4.348 -21.799 -6.592 173 2HB LYS 25 1HB LYS 25 3.253 -22.813 -5.652 174 1HG LYS 25 2HG LYS 25 1.596 -21.567 -6.567 175 2HG LYS 25 1HG LYS 25 2.092 -20.320 -5.422 176 1HD LYS 25 2HD LYS 25 3.871 -19.746 -7.286 177 2HD LYS 25 1HD LYS 25 2.720 -20.565 -8.344 178 1HE LYS 25 2HE LYS 25 1.194 -18.890 -8.186 179 2HE LYS 25 1HE LYS 25 1.487 -18.659 -6.463 180 1HZ LYS 25 1HZ LYS 25 2.513 -16.802 -7.098 181 2HZ LYS 25 2HZ LYS 25 2.631 -17.293 -8.718 182 3HZ LYS 25 3HZ LYS 25 3.792 -17.801 -7.588 183 H LEU 26 H LEU 26 4.262 -20.523 -2.074 184 HA LEU 26 HA LEU 26 2.163 -22.407 -1.185 185 1HB LEU 26 2HB LEU 26 5.012 -22.770 -0.645 186 2HB LEU 26 1HB LEU 26 4.056 -22.685 0.836 187 HG LEU 26 HG LEU 26 2.891 -24.331 -1.336 188 1HD1 LEU 26 1HD1 LEU 26 4.385 -26.223 -0.943 189 2HD1 LEU 26 2HD1 LEU 26 5.335 -25.270 0.199 190 3HD1 LEU 26 3HD1 LEU 26 5.326 -24.844 -1.513 191 1HD2 LEU 26 1HD2 LEU 26 2.681 -23.999 1.489 192 2HD2 LEU 26 2HD2 LEU 26 3.249 -25.643 1.199 193 3HD2 LEU 26 3HD2 LEU 26 1.749 -25.093 0.458 194 HA PRO 27 HA PRO 27 2.713 -19.166 2.234 195 1HB PRO 27 2HB PRO 27 5.042 -17.712 2.377 196 2HB PRO 27 1HB PRO 27 4.825 -19.285 3.162 197 1HG PRO 27 2HG PRO 27 6.379 -18.610 0.710 198 2HG PRO 27 1HG PRO 27 6.617 -19.937 1.859 199 1HD PRO 27 2HD PRO 27 5.396 -20.145 -0.685 200 2HD PRO 27 1HD PRO 27 5.362 -21.368 0.598 201 H PHE 28 H PHE 28 1.178 -18.151 0.698 202 HA PHE 28 HA PHE 28 2.234 -15.596 -0.446 203 1HB PHE 28 2HB PHE 28 0.487 -15.850 -2.258 204 2HB PHE 28 1HB PHE 28 1.805 -17.015 -2.338 205 HD1 PHE 28 HD1 PHE 28 1.372 -19.336 -2.287 206 HD2 PHE 28 HD2 PHE 28 -1.696 -16.575 -1.088 207 HE1 PHE 28 HE1 PHE 28 -0.265 -21.196 -2.187 208 HE2 PHE 28 HE2 PHE 28 -3.329 -18.437 -0.985 209 HZ PHE 28 HZ PHE 28 -2.615 -20.747 -1.535 210 H LYS 29 H LYS 29 0.510 -13.911 -0.687 211 HA LYS 29 HA LYS 29 -1.478 -14.136 1.538 212 1HB LYS 29 2HB LYS 29 0.312 -11.972 0.602 213 2HB LYS 29 1HB LYS 29 -1.324 -11.463 1.021 214 1HG LYS 29 2HG LYS 29 -0.441 -11.362 3.129 215 2HG LYS 29 1HG LYS 29 -0.807 -13.088 3.120 216 1HD LYS 29 2HD LYS 29 1.721 -12.727 1.838 217 2HD LYS 29 1HD LYS 29 1.751 -11.830 3.356 218 1HE LYS 29 2HE LYS 29 0.902 -13.871 4.525 219 2HE LYS 29 1HE LYS 29 1.024 -14.753 3.004 220 1HZ LYS 29 1HZ LYS 29 3.430 -13.338 3.629 221 2HZ LYS 29 2HZ LYS 29 3.205 -14.980 3.254 222 3HZ LYS 29 3HZ LYS 29 3.010 -14.438 4.851 223 H VAL 30 H VAL 30 -3.622 -13.805 1.088 224 HA VAL 30 HA VAL 30 -4.346 -13.205 -1.752 225 HB VAL 30 HB VAL 30 -6.021 -14.542 0.405 226 1HG1 VAL 30 1HG1 VAL 30 -7.410 -15.205 -1.601 227 2HG1 VAL 30 2HG1 VAL 30 -6.434 -14.098 -2.567 228 3HG1 VAL 30 3HG1 VAL 30 -7.427 -13.476 -1.248 229 1HG2 VAL 30 1HG2 VAL 30 -4.644 -16.304 -0.032 230 2HG2 VAL 30 2HG2 VAL 30 -4.005 -15.561 -1.498 231 3HG2 VAL 30 3HG2 VAL 30 -5.543 -16.422 -1.546 232 H LEU 31 H LEU 31 -5.251 -11.231 -2.120 233 HA LEU 31 HA LEU 31 -6.462 -9.787 0.208 234 1HB LEU 31 2HB LEU 31 -4.424 -8.999 -1.709 235 2HB LEU 31 1HB LEU 31 -5.793 -7.888 -1.749 236 HG LEU 31 HG LEU 31 -5.164 -8.560 0.989 237 1HD1 LEU 31 1HD1 LEU 31 -2.912 -8.596 0.983 238 2HD1 LEU 31 2HD1 LEU 31 -2.920 -6.956 0.332 239 3HD1 LEU 31 3HD1 LEU 31 -2.884 -8.339 -0.762 240 1HD2 LEU 31 1HD2 LEU 31 -4.579 -5.916 0.685 241 2HD2 LEU 31 2HD2 LEU 31 -6.222 -6.536 0.844 242 3HD2 LEU 31 3HD2 LEU 31 -5.560 -6.193 -0.754 243 H SER 32 H SER 32 -8.620 -9.561 0.003 244 HA SER 32 HA SER 32 -9.808 -9.510 -2.742 245 1HB SER 32 2HB SER 32 -10.815 -10.502 -0.086 246 2HB SER 32 1HB SER 32 -11.968 -9.988 -1.314 247 HG SER 32 HG SER 32 -11.150 -12.298 -1.243 248 H VAL 33 H VAL 33 -10.230 -7.456 -3.365 249 HA VAL 33 HA VAL 33 -11.468 -5.595 -1.380 250 HB VAL 33 HB VAL 33 -10.162 -3.736 -2.516 251 1HG1 VAL 33 1HG1 VAL 33 -8.664 -5.905 -1.020 252 2HG1 VAL 33 2HG1 VAL 33 -9.482 -4.506 -0.324 253 3HG1 VAL 33 3HG1 VAL 33 -8.030 -4.283 -1.301 254 1HG2 VAL 33 1HG2 VAL 33 -9.579 -5.108 -4.545 255 2HG2 VAL 33 2HG2 VAL 33 -8.479 -6.048 -3.536 256 3HG2 VAL 33 3HG2 VAL 33 -8.184 -4.330 -3.797 257 HA PRO 34 HA PRO 34 -14.400 -4.851 -4.567 258 1HB PRO 34 2HB PRO 34 -15.176 -2.296 -3.904 259 2HB PRO 34 1HB PRO 34 -15.671 -3.740 -3.004 260 1HG PRO 34 2HG PRO 34 -13.650 -1.668 -2.269 261 2HG PRO 34 1HG PRO 34 -14.643 -2.691 -1.217 262 1HD PRO 34 2HD PRO 34 -11.921 -3.115 -1.813 263 2HD PRO 34 1HD PRO 34 -13.023 -4.314 -1.102 264 H GLU 35 H GLU 35 -14.678 -3.735 -6.580 265 HA GLU 35 HA GLU 35 -12.302 -2.694 -7.811 266 1HB GLU 35 2HB GLU 35 -15.191 -2.899 -8.619 267 2HB GLU 35 1HB GLU 35 -14.091 -1.923 -9.592 268 1HG GLU 35 2HG GLU 35 -13.497 -3.844 -10.622 269 2HG GLU 35 1HG GLU 35 -12.652 -4.262 -9.130 270 H SER 36 H SER 36 -11.709 -1.012 -6.342 271 HA SER 36 HA SER 36 -12.419 1.632 -7.133 272 1HB SER 36 2HB SER 36 -13.540 2.364 -4.999 273 2HB SER 36 1HB SER 36 -14.528 1.283 -5.975 274 HG SER 36 HG SER 36 -14.475 -0.103 -4.400 275 H THR 37 H THR 37 -11.261 -0.442 -4.478 276 HA THR 37 HA THR 37 -9.564 1.506 -3.230 277 HB THR 37 HB THR 37 -8.354 -0.522 -2.318 278 HG1 THR 37 HG1 THR 37 -8.548 -2.181 -3.588 279 1HG2 THR 37 1HG2 THR 37 -11.252 -1.112 -1.998 280 2HG2 THR 37 2HG2 THR 37 -10.726 0.523 -1.595 281 3HG2 THR 37 3HG2 THR 37 -10.010 -0.861 -0.770 282 HA PRO 38 HA PRO 38 -6.359 1.732 -6.261 283 1HB PRO 38 2HB PRO 38 -4.521 3.047 -4.698 284 2HB PRO 38 1HB PRO 38 -5.926 3.836 -5.435 285 1HG PRO 38 2HG PRO 38 -5.485 3.068 -2.587 286 2HG PRO 38 1HG PRO 38 -6.500 4.354 -3.259 287 1HD PRO 38 2HD PRO 38 -7.410 1.846 -2.316 288 2HD PRO 38 1HD PRO 38 -8.349 3.001 -3.286 289 H PHE 39 H PHE 39 -4.257 0.825 -6.704 290 HA PHE 39 HA PHE 39 -3.662 -1.647 -5.369 291 1HB PHE 39 2HB PHE 39 -3.067 -0.820 -7.799 292 2HB PHE 39 1HB PHE 39 -1.604 -0.212 -7.024 293 HD1 PHE 39 HD1 PHE 39 -3.713 -3.313 -6.694 294 HD2 PHE 39 HD2 PHE 39 0.211 -1.653 -7.254 295 HE1 PHE 39 HE1 PHE 39 -2.750 -5.597 -6.718 296 HE2 PHE 39 HE2 PHE 39 1.172 -3.938 -7.277 297 HZ PHE 39 HZ PHE 39 -0.307 -5.910 -7.009 298 H THR 40 H THR 40 -2.751 1.634 -4.697 299 HA THR 40 HA THR 40 -0.262 1.220 -3.354 300 HB THR 40 HB THR 40 -0.920 3.321 -2.073 301 HG1 THR 40 HG1 THR 40 -2.926 3.886 -2.129 302 1HG2 THR 40 1HG2 THR 40 -1.463 4.327 -4.674 303 2HG2 THR 40 2HG2 THR 40 -0.386 2.945 -4.865 304 3HG2 THR 40 3HG2 THR 40 0.085 4.290 -3.829 305 H ALA 41 H ALA 41 -3.634 1.107 -2.196 306 HA ALA 41 HA ALA 41 -2.900 0.418 0.533 307 1HB ALA 41 1HB ALA 41 -5.166 0.470 0.975 308 2HB ALA 41 2HB ALA 41 -5.591 -0.281 -0.564 309 3HB ALA 41 3HB ALA 41 -5.151 1.426 -0.507 310 H VAL 42 H VAL 42 -3.917 -1.400 -2.362 311 HA VAL 42 HA VAL 42 -4.169 -3.969 -1.125 312 HB VAL 42 HB VAL 42 -3.322 -3.271 -3.959 313 1HG1 VAL 42 1HG1 VAL 42 -3.150 -5.738 -2.733 314 2HG1 VAL 42 2HG1 VAL 42 -3.339 -5.482 -4.467 315 3HG1 VAL 42 3HG1 VAL 42 -4.755 -5.792 -3.461 316 1HG2 VAL 42 1HG2 VAL 42 -6.029 -4.305 -3.451 317 2HG2 VAL 42 2HG2 VAL 42 -5.517 -2.935 -4.436 318 3HG2 VAL 42 3HG2 VAL 42 -5.724 -2.741 -2.696 319 H LEU 43 H LEU 43 -1.382 -2.466 -2.795 320 HA LEU 43 HA LEU 43 0.476 -4.590 -2.308 321 1HB LEU 43 2HB LEU 43 0.706 -2.591 -3.919 322 2HB LEU 43 1HB LEU 43 1.219 -1.664 -2.510 323 HG LEU 43 HG LEU 43 2.577 -4.259 -2.746 324 1HD1 LEU 43 1HD1 LEU 43 3.868 -3.822 -4.685 325 2HD1 LEU 43 2HD1 LEU 43 3.311 -2.151 -4.781 326 3HD1 LEU 43 3HD1 LEU 43 2.211 -3.471 -5.176 327 1HD2 LEU 43 1HD2 LEU 43 3.585 -2.844 -1.216 328 2HD2 LEU 43 2HD2 LEU 43 3.202 -1.394 -2.146 329 3HD2 LEU 43 3HD2 LEU 43 4.530 -2.440 -2.649 330 H LYS 44 H LYS 44 -0.481 -1.764 -0.402 331 HA LYS 44 HA LYS 44 1.565 -1.886 1.587 332 1HB LYS 44 2HB LYS 44 -0.402 -0.140 1.094 333 2HB LYS 44 1HB LYS 44 -1.200 -1.065 2.366 334 1HG LYS 44 2HG LYS 44 0.442 -0.527 3.960 335 2HG LYS 44 1HG LYS 44 1.624 -0.086 2.727 336 1HD LYS 44 2HD LYS 44 -0.462 1.656 2.214 337 2HD LYS 44 1HD LYS 44 -0.468 1.550 3.975 338 1HE LYS 44 2HE LYS 44 2.176 1.787 3.605 339 2HE LYS 44 1HE LYS 44 1.633 2.621 2.149 340 1HZ LYS 44 1HZ LYS 44 0.771 3.246 4.922 341 2HZ LYS 44 2HZ LYS 44 0.256 4.053 3.517 342 3HZ LYS 44 3HZ LYS 44 1.880 4.145 4.007 343 H PHE 45 H PHE 45 -1.695 -3.355 1.498 344 HA PHE 45 HA PHE 45 -1.488 -4.650 4.056 345 1HB PHE 45 2HB PHE 45 -3.501 -4.277 2.243 346 2HB PHE 45 1HB PHE 45 -3.139 -5.986 1.998 347 HD1 PHE 45 HD1 PHE 45 -4.155 -7.544 3.397 348 HD2 PHE 45 HD2 PHE 45 -3.605 -3.521 4.795 349 HE1 PHE 45 HE1 PHE 45 -5.368 -8.104 5.485 350 HE2 PHE 45 HE2 PHE 45 -4.819 -4.080 6.883 351 HZ PHE 45 HZ PHE 45 -5.700 -6.372 7.228 352 H ALA 46 H ALA 46 -0.848 -5.794 0.728 353 HA ALA 46 HA ALA 46 -0.153 -8.481 1.407 354 1HB ALA 46 1HB ALA 46 0.696 -8.658 -0.789 355 2HB ALA 46 2HB ALA 46 1.162 -6.958 -0.842 356 3HB ALA 46 3HB ALA 46 -0.541 -7.409 -0.929 357 H ALA 47 H ALA 47 1.891 -5.560 1.048 358 HA ALA 47 HA ALA 47 4.372 -6.861 1.697 359 1HB ALA 47 1HB ALA 47 5.141 -4.496 2.202 360 2HB ALA 47 2HB ALA 47 3.491 -3.968 1.875 361 3HB ALA 47 3HB ALA 47 4.445 -4.721 0.598 362 H GLU 48 H GLU 48 1.884 -5.279 3.673 363 HA GLU 48 HA GLU 48 3.283 -5.188 6.152 364 1HB GLU 48 2HB GLU 48 1.101 -4.069 5.737 365 2HB GLU 48 1HB GLU 48 0.317 -5.647 5.687 366 1HG GLU 48 2HG GLU 48 1.930 -5.418 8.080 367 2HG GLU 48 1HG GLU 48 0.808 -4.061 7.971 368 H GLU 49 H GLU 49 1.232 -7.760 4.745 369 HA GLU 49 HA GLU 49 1.623 -9.575 6.977 370 1HB GLU 49 2HB GLU 49 0.451 -9.783 4.222 371 2HB GLU 49 1HB GLU 49 0.827 -11.263 5.103 372 1HG GLU 49 2HG GLU 49 -1.236 -10.987 6.019 373 2HG GLU 49 1HG GLU 49 -0.437 -9.794 7.042 374 H PHE 50 H PHE 50 3.362 -8.903 3.990 375 HA PHE 50 HA PHE 50 4.977 -11.346 4.136 376 1HB PHE 50 2HB PHE 50 4.730 -9.025 2.299 377 2HB PHE 50 1HB PHE 50 6.315 -9.794 2.370 378 HD1 PHE 50 HD1 PHE 50 6.091 -12.529 2.514 379 HD2 PHE 50 HD2 PHE 50 3.302 -9.844 0.647 380 HE1 PHE 50 HE1 PHE 50 5.259 -14.380 1.090 381 HE2 PHE 50 HE2 PHE 50 2.472 -11.698 -0.775 382 HZ PHE 50 HZ PHE 50 3.450 -13.966 -0.553 383 H LYS 51 H LYS 51 5.032 -8.587 5.991 384 HA LYS 51 HA LYS 51 6.620 -7.711 7.466 385 1HB LYS 51 2HB LYS 51 7.526 -10.408 6.887 386 2HB LYS 51 1HB LYS 51 8.900 -9.334 7.132 387 1HG LYS 51 2HG LYS 51 8.551 -9.500 9.349 388 2HG LYS 51 1HG LYS 51 7.033 -8.629 9.123 389 1HD LYS 51 2HD LYS 51 6.189 -11.051 8.372 390 2HD LYS 51 1HD LYS 51 7.511 -11.564 9.420 391 1HE LYS 51 2HE LYS 51 6.535 -10.648 11.329 392 2HE LYS 51 1HE LYS 51 5.587 -9.482 10.407 393 1HZ LYS 51 1HZ LYS 51 4.100 -11.137 11.153 394 2HZ LYS 51 2HZ LYS 51 5.125 -12.399 10.661 395 3HZ LYS 51 3HZ LYS 51 4.338 -11.437 9.501 396 H VAL 52 H VAL 52 6.478 -6.768 4.724 397 HA VAL 52 HA VAL 52 9.272 -5.746 4.450 398 HB VAL 52 HB VAL 52 8.861 -5.697 1.944 399 1HG1 VAL 52 1HG1 VAL 52 8.732 -8.519 2.992 400 2HG1 VAL 52 2HG1 VAL 52 10.132 -7.499 3.325 401 3HG1 VAL 52 3HG1 VAL 52 9.693 -7.877 1.660 402 1HG2 VAL 52 1HG2 VAL 52 6.320 -6.046 2.304 403 2HG2 VAL 52 2HG2 VAL 52 6.718 -7.749 2.516 404 3HG2 VAL 52 3HG2 VAL 52 7.083 -6.942 0.992 405 HA PRO 53 HA PRO 53 7.355 -1.794 4.368 406 1HB PRO 53 2HB PRO 53 9.280 -0.394 2.989 407 2HB PRO 53 1HB PRO 53 9.450 -0.899 4.678 408 1HG PRO 53 2HG PRO 53 10.739 -2.036 2.240 409 2HG PRO 53 1HG PRO 53 11.312 -2.040 3.917 410 1HD PRO 53 2HD PRO 53 10.112 -4.222 2.578 411 2HD PRO 53 1HD PRO 53 10.367 -4.089 4.331 412 H ALA 54 H ALA 54 5.736 -1.017 3.093 413 HA ALA 54 HA ALA 54 5.305 -1.902 0.395 414 1HB ALA 54 1HB ALA 54 3.748 0.377 0.678 415 2HB ALA 54 2HB ALA 54 3.943 -0.185 2.339 416 3HB ALA 54 3HB ALA 54 3.260 -1.259 1.120 417 H ALA 55 H ALA 55 6.751 1.032 1.752 418 HA ALA 55 HA ALA 55 6.838 2.606 -0.625 419 1HB ALA 55 1HB ALA 55 8.664 3.834 0.492 420 2HB ALA 55 2HB ALA 55 8.815 2.535 1.676 421 3HB ALA 55 3HB ALA 55 7.346 3.509 1.619 422 H THR 56 H THR 56 9.061 0.112 0.617 423 HA THR 56 HA THR 56 10.644 0.351 -1.908 424 HB THR 56 HB THR 56 11.505 -1.224 0.522 425 HG1 THR 56 HG1 THR 56 11.696 0.577 1.554 426 1HG2 THR 56 1HG2 THR 56 12.910 0.135 -1.789 427 2HG2 THR 56 2HG2 THR 56 12.838 -1.593 -1.442 428 3HG2 THR 56 3HG2 THR 56 13.762 -0.520 -0.390 429 H SER 57 H SER 57 8.085 -0.966 -1.907 430 HA SER 57 HA SER 57 8.975 -3.739 -2.560 431 1HB SER 57 2HB SER 57 6.768 -2.888 -0.740 432 2HB SER 57 1HB SER 57 6.492 -4.294 -1.760 433 HG SER 57 HG SER 57 7.629 -4.424 0.464 434 H ALA 58 H ALA 58 7.693 -4.773 -4.184 435 HA ALA 58 HA ALA 58 5.700 -3.142 -5.647 436 1HB ALA 58 1HB ALA 58 8.407 -3.920 -6.675 437 2HB ALA 58 2HB ALA 58 7.493 -2.437 -6.947 438 3HB ALA 58 3HB ALA 58 7.045 -3.916 -7.797 439 H ILE 59 H ILE 59 4.725 -4.548 -7.482 440 HA ILE 59 HA ILE 59 4.843 -7.443 -6.735 441 HB ILE 59 HB ILE 59 2.435 -5.654 -7.028 442 1HG1 ILE 59 2HG1 ILE 59 2.923 -7.916 -5.086 443 2HG1 ILE 59 1HG1 ILE 59 3.594 -6.309 -4.808 444 1HG2 ILE 59 1HG2 ILE 59 2.597 -8.098 -8.353 445 2HG2 ILE 59 2HG2 ILE 59 1.110 -7.284 -7.873 446 3HG2 ILE 59 3HG2 ILE 59 1.821 -8.511 -6.826 447 1HD1 ILE 59 1HD1 ILE 59 0.653 -6.907 -5.253 448 2HD1 ILE 59 2HD1 ILE 59 1.350 -5.328 -4.893 449 3HD1 ILE 59 3HD1 ILE 59 1.397 -6.608 -3.682 450 H ILE 60 H ILE 60 5.292 -8.691 -8.475 451 HA ILE 60 HA ILE 60 4.861 -7.530 -11.192 452 HB ILE 60 HB ILE 60 6.513 -9.186 -11.976 453 1HG1 ILE 60 2HG1 ILE 60 7.466 -9.978 -9.329 454 2HG1 ILE 60 1HG1 ILE 60 5.829 -10.552 -9.637 455 1HG2 ILE 60 1HG2 ILE 60 7.886 -8.045 -9.600 456 2HG2 ILE 60 2HG2 ILE 60 7.043 -6.899 -10.640 457 3HG2 ILE 60 3HG2 ILE 60 8.309 -7.930 -11.308 458 1HD1 ILE 60 1HD1 ILE 60 6.729 -11.328 -11.928 459 2HD1 ILE 60 2HD1 ILE 60 7.217 -12.259 -10.513 460 3HD1 ILE 60 3HD1 ILE 60 8.332 -11.098 -11.231 461 H THR 61 H THR 61 4.353 -9.331 -12.897 462 HA THR 61 HA THR 61 2.107 -10.957 -11.801 463 HB THR 61 HB THR 61 1.338 -11.112 -14.146 464 HG1 THR 61 HG1 THR 61 2.585 -10.525 -15.733 465 1HG2 THR 61 1HG2 THR 61 1.993 -8.215 -13.759 466 2HG2 THR 61 2HG2 THR 61 1.006 -9.031 -12.549 467 3HG2 THR 61 3HG2 THR 61 0.467 -8.966 -14.226 468 H ASN 62 H ASN 62 1.780 -13.118 -13.015 469 HA ASN 62 HA ASN 62 4.114 -14.767 -12.618 470 1HB ASN 62 2HB ASN 62 1.382 -15.214 -12.842 471 2HB ASN 62 1HB ASN 62 2.033 -15.951 -14.307 472 1HD2 ASN 62 1HD2 ASN 62 2.794 -15.816 -10.769 473 2HD2 ASN 62 2HD2 ASN 62 3.278 -17.439 -10.671 474 H ASP 63 H ASP 63 2.841 -13.055 -15.390 475 HA ASP 63 HA ASP 63 4.328 -14.609 -17.372 476 1HB ASP 63 2HB ASP 63 2.409 -12.398 -17.367 477 2HB ASP 63 1HB ASP 63 3.714 -12.145 -18.524 478 H GLY 64 H GLY 64 4.631 -11.309 -16.008 479 1HA GLY 64 2HA GLY 64 7.200 -11.031 -15.348 480 2HA GLY 64 1HA GLY 64 7.383 -11.116 -17.100 481 H VAL 65 H VAL 65 4.958 -9.504 -15.016 482 HA VAL 65 HA VAL 65 5.663 -6.925 -16.366 483 HB VAL 65 HB VAL 65 2.920 -7.830 -15.424 484 1HG1 VAL 65 1HG1 VAL 65 2.110 -5.754 -16.045 485 2HG1 VAL 65 2HG1 VAL 65 3.397 -5.486 -17.220 486 3HG1 VAL 65 3HG1 VAL 65 3.720 -5.288 -15.498 487 1HG2 VAL 65 1HG2 VAL 65 2.463 -7.690 -17.949 488 2HG2 VAL 65 2HG2 VAL 65 3.424 -9.065 -17.402 489 3HG2 VAL 65 3HG2 VAL 65 4.215 -7.680 -18.155 490 H GLY 66 H GLY 66 6.541 -5.557 -14.901 491 1HA GLY 66 2HA GLY 66 6.321 -6.012 -12.041 492 2HA GLY 66 1HA GLY 66 7.176 -4.680 -12.815 493 H VAL 67 H VAL 67 4.058 -5.787 -11.658 494 HA VAL 67 HA VAL 67 2.564 -3.413 -12.358 495 HB VAL 67 HB VAL 67 1.972 -5.340 -10.088 496 1HG1 VAL 67 1HG1 VAL 67 -0.270 -4.308 -11.613 497 2HG1 VAL 67 2HG1 VAL 67 0.701 -2.990 -10.960 498 3HG1 VAL 67 3HG1 VAL 67 0.034 -4.213 -9.879 499 1HG2 VAL 67 1HG2 VAL 67 0.606 -6.567 -11.774 500 2HG2 VAL 67 2HG2 VAL 67 2.327 -6.612 -12.156 501 3HG2 VAL 67 3HG2 VAL 67 1.259 -5.519 -13.033 502 H ASN 68 H ASN 68 2.504 -1.476 -11.338 503 HA ASN 68 HA ASN 68 3.926 -1.225 -8.719 504 1HB ASN 68 2HB ASN 68 3.689 0.558 -11.118 505 2HB ASN 68 1HB ASN 68 3.891 1.303 -9.533 506 1HD2 ASN 68 1HD2 ASN 68 6.035 1.504 -8.840 507 2HD2 ASN 68 2HD2 ASN 68 7.337 0.593 -9.438 508 HA PRO 69 HA PRO 69 0.216 0.217 -6.850 509 1HB PRO 69 2HB PRO 69 1.242 2.004 -5.027 510 2HB PRO 69 1HB PRO 69 1.377 0.245 -4.858 511 1HG PRO 69 2HG PRO 69 3.469 2.222 -5.631 512 2HG PRO 69 1HG PRO 69 3.653 0.635 -4.867 513 1HD PRO 69 2HD PRO 69 4.091 1.230 -7.604 514 2HD PRO 69 1HD PRO 69 3.977 -0.392 -6.889 515 H ALA 70 H ALA 70 0.006 1.375 -9.163 516 HA ALA 70 HA ALA 70 -0.646 4.217 -8.600 517 1HB ALA 70 1HB ALA 70 0.994 5.034 -9.909 518 2HB ALA 70 2HB ALA 70 0.409 4.069 -11.264 519 3HB ALA 70 3HB ALA 70 1.602 3.398 -10.154 520 H GLN 71 H GLN 71 -2.297 1.815 -8.929 521 HA GLN 71 HA GLN 71 -4.098 2.837 -11.013 522 1HB GLN 71 2HB GLN 71 -4.241 0.287 -11.836 523 2HB GLN 71 1HB GLN 71 -3.133 1.443 -12.570 524 1HG GLN 71 2HG GLN 71 -1.374 0.668 -10.925 525 2HG GLN 71 1HG GLN 71 -2.485 -0.611 -10.439 526 1HE2 GLN 71 1HE2 GLN 71 0.187 -0.386 -12.183 527 2HE2 GLN 71 2HE2 GLN 71 -0.161 -1.412 -13.488 528 HA PRO 72 HA PRO 72 -7.142 1.207 -8.297 529 1HB PRO 72 2HB PRO 72 -9.170 0.611 -10.058 530 2HB PRO 72 1HB PRO 72 -8.737 2.260 -9.577 531 1HG PRO 72 2HG PRO 72 -8.183 0.847 -12.145 532 2HG PRO 72 1HG PRO 72 -8.369 2.581 -11.835 533 1HD PRO 72 2HD PRO 72 -5.916 1.226 -12.197 534 2HD PRO 72 1HD PRO 72 -6.111 2.864 -11.536 535 H ALA 73 H ALA 73 -8.143 -0.746 -7.546 536 HA ALA 73 HA ALA 73 -6.792 -3.187 -8.115 537 1HB ALA 73 1HB ALA 73 -8.521 -2.343 -6.164 538 2HB ALA 73 2HB ALA 73 -8.018 -4.018 -6.386 539 3HB ALA 73 3HB ALA 73 -9.542 -3.456 -7.072 540 H GLY 74 H GLY 74 -9.891 -1.906 -9.321 541 1HA GLY 74 2HA GLY 74 -10.817 -4.203 -10.695 542 2HA GLY 74 1HA GLY 74 -11.182 -2.544 -11.172 543 H ASN 75 H ASN 75 -8.633 -1.603 -11.824 544 HA ASN 75 HA ASN 75 -8.259 -2.724 -14.460 545 1HB ASN 75 2HB ASN 75 -7.793 -0.316 -13.716 546 2HB ASN 75 1HB ASN 75 -6.302 -0.933 -13.005 547 1HD2 ASN 75 1HD2 ASN 75 -4.535 -1.274 -14.411 548 2HD2 ASN 75 2HD2 ASN 75 -4.626 -1.132 -16.100 549 H ILE 76 H ILE 76 -6.580 -3.124 -11.360 550 HA ILE 76 HA ILE 76 -4.255 -4.476 -12.309 551 HB ILE 76 HB ILE 76 -5.762 -4.729 -9.686 552 1HG1 ILE 76 2HG1 ILE 76 -4.710 -2.498 -10.368 553 2HG1 ILE 76 1HG1 ILE 76 -4.169 -3.164 -8.830 554 1HG2 ILE 76 1HG2 ILE 76 -4.408 -6.437 -9.136 555 2HG2 ILE 76 2HG2 ILE 76 -3.003 -5.411 -9.417 556 3HG2 ILE 76 3HG2 ILE 76 -3.663 -6.380 -10.733 557 1HD1 ILE 76 1HD1 ILE 76 -2.299 -2.307 -10.284 558 2HD1 ILE 76 2HD1 ILE 76 -2.698 -3.567 -11.450 559 3HD1 ILE 76 3HD1 ILE 76 -2.133 -4.004 -9.838 560 H PHE 77 H PHE 77 -7.453 -5.740 -11.336 561 HA PHE 77 HA PHE 77 -6.747 -8.509 -11.892 562 1HB PHE 77 2HB PHE 77 -8.601 -7.590 -10.318 563 2HB PHE 77 1HB PHE 77 -9.566 -7.442 -11.786 564 HD1 PHE 77 HD1 PHE 77 -10.134 -9.454 -13.131 565 HD2 PHE 77 HD2 PHE 77 -8.065 -9.747 -9.376 566 HE1 PHE 77 HE1 PHE 77 -10.657 -11.876 -13.030 567 HE2 PHE 77 HE2 PHE 77 -8.591 -12.169 -9.278 568 HZ PHE 77 HZ PHE 77 -9.886 -13.232 -11.104 569 H LEU 78 H LEU 78 -8.452 -5.933 -13.660 570 HA LEU 78 HA LEU 78 -9.350 -7.545 -15.855 571 1HB LEU 78 2HB LEU 78 -8.819 -4.596 -15.512 572 2HB LEU 78 1HB LEU 78 -9.328 -5.255 -17.067 573 HG LEU 78 HG LEU 78 -10.834 -5.805 -14.503 574 1HD1 LEU 78 1HD1 LEU 78 -11.705 -3.767 -16.535 575 2HD1 LEU 78 2HD1 LEU 78 -10.595 -3.305 -15.244 576 3HD1 LEU 78 3HD1 LEU 78 -12.194 -3.934 -14.849 577 1HD2 LEU 78 1HD2 LEU 78 -12.200 -5.705 -17.121 578 2HD2 LEU 78 2HD2 LEU 78 -12.331 -6.898 -15.829 579 3HD2 LEU 78 3HD2 LEU 78 -10.997 -6.987 -16.978 580 H LYS 79 H LYS 79 -6.303 -5.813 -15.272 581 HA LYS 79 HA LYS 79 -5.319 -6.569 -17.963 582 1HB LYS 79 2HB LYS 79 -4.911 -4.341 -16.375 583 2HB LYS 79 1HB LYS 79 -3.420 -5.257 -16.151 584 1HG LYS 79 2HG LYS 79 -3.198 -5.449 -18.623 585 2HG LYS 79 1HG LYS 79 -4.639 -4.449 -18.808 586 1HD LYS 79 2HD LYS 79 -3.411 -2.581 -18.564 587 2HD LYS 79 1HD LYS 79 -2.822 -3.145 -16.999 588 1HE LYS 79 2HE LYS 79 -1.229 -4.654 -18.400 589 2HE LYS 79 1HE LYS 79 -1.611 -3.558 -19.727 590 1HZ LYS 79 1HZ LYS 79 0.300 -3.160 -17.840 591 2HZ LYS 79 2HZ LYS 79 -0.976 -2.185 -17.287 592 3HZ LYS 79 3HZ LYS 79 -0.351 -1.965 -18.851 593 H HIS 80 H HIS 80 -4.118 -6.876 -14.589 594 HA HIS 80 HA HIS 80 -2.257 -8.991 -15.431 595 1HB HIS 80 2HB HIS 80 -2.806 -8.107 -12.591 596 2HB HIS 80 1HB HIS 80 -1.344 -8.854 -13.235 597 HD1 HIS 80 HD1 HIS 80 -0.341 -7.275 -15.407 598 HD2 HIS 80 HD2 HIS 80 -2.456 -5.388 -12.350 599 HE1 HIS 80 HE1 HIS 80 0.252 -4.817 -15.538 600 H GLY 81 H GLY 81 -4.858 -8.823 -12.949 601 1HA GLY 81 2HA GLY 81 -6.620 -10.626 -13.097 602 2HA GLY 81 1HA GLY 81 -5.299 -11.750 -13.417 603 H SER 82 H SER 82 -5.168 -13.037 -11.635 604 HA SER 82 HA SER 82 -5.176 -11.710 -8.952 605 1HB SER 82 2HB SER 82 -5.880 -13.938 -8.064 606 2HB SER 82 1HB SER 82 -7.048 -13.242 -9.180 607 HG SER 82 HG SER 82 -6.763 -15.310 -9.848 608 H GLU 83 H GLU 83 -3.650 -14.333 -10.855 609 HA GLU 83 HA GLU 83 -1.699 -15.044 -8.895 610 1HB GLU 83 2HB GLU 83 -2.360 -16.255 -11.105 611 2HB GLU 83 1HB GLU 83 -1.155 -15.210 -11.856 612 1HG GLU 83 2HG GLU 83 -0.097 -17.314 -11.215 613 2HG GLU 83 1HG GLU 83 0.526 -16.020 -10.192 614 H LEU 84 H LEU 84 -0.371 -13.558 -8.015 615 HA LEU 84 HA LEU 84 1.312 -11.901 -9.836 616 1HB LEU 84 2HB LEU 84 -0.275 -10.933 -7.444 617 2HB LEU 84 1HB LEU 84 1.076 -10.025 -8.120 618 HG LEU 84 HG LEU 84 -0.877 -10.939 -10.129 619 1HD1 LEU 84 1HD1 LEU 84 -2.731 -9.739 -9.470 620 2HD1 LEU 84 2HD1 LEU 84 -1.786 -8.595 -8.518 621 3HD1 LEU 84 3HD1 LEU 84 -2.126 -10.204 -7.881 622 1HD2 LEU 84 1HD2 LEU 84 1.137 -9.235 -10.222 623 2HD2 LEU 84 2HD2 LEU 84 -0.058 -8.099 -9.595 624 3HD2 LEU 84 3HD2 LEU 84 -0.335 -8.908 -11.138 625 H ARG 85 H ARG 85 3.210 -10.948 -8.537 626 HA ARG 85 HA ARG 85 4.019 -12.742 -6.288 627 1HB ARG 85 2HB ARG 85 5.394 -12.251 -8.889 628 2HB ARG 85 1HB ARG 85 6.407 -12.356 -7.449 629 1HG ARG 85 2HG ARG 85 5.421 -14.534 -6.889 630 2HG ARG 85 1HG ARG 85 4.363 -14.429 -8.296 631 1HD ARG 85 2HD ARG 85 5.988 -15.400 -9.515 632 2HD ARG 85 1HD ARG 85 6.965 -13.954 -9.270 633 HE ARG 85 HE ARG 85 8.163 -15.094 -7.546 634 1HH1 ARG 85 2HH1 ARG 85 6.000 -16.476 -6.101 635 2HH1 ARG 85 1HH1 ARG 85 6.242 -18.137 -6.524 636 1HH2 ARG 85 1HH2 ARG 85 8.283 -17.420 -9.245 637 2HH2 ARG 85 2HH2 ARG 85 7.540 -18.674 -8.310 638 H LEU 86 H LEU 86 5.739 -11.771 -4.920 639 HA LEU 86 HA LEU 86 5.566 -8.785 -4.943 640 1HB LEU 86 2HB LEU 86 4.757 -10.235 -2.924 641 2HB LEU 86 1HB LEU 86 6.477 -10.404 -2.574 642 HG LEU 86 HG LEU 86 5.917 -7.649 -3.181 643 1HD1 LEU 86 1HD1 LEU 86 3.772 -7.536 -2.405 644 2HD1 LEU 86 2HD1 LEU 86 4.557 -7.565 -0.826 645 3HD1 LEU 86 3HD1 LEU 86 3.908 -9.052 -1.515 646 1HD2 LEU 86 1HD2 LEU 86 7.816 -8.408 -1.858 647 2HD2 LEU 86 2HD2 LEU 86 6.737 -9.121 -0.658 648 3HD2 LEU 86 3HD2 LEU 86 6.803 -7.369 -0.853 649 H ILE 87 H ILE 87 7.398 -7.642 -5.286 650 HA ILE 87 HA ILE 87 10.035 -9.023 -4.980 651 HB ILE 87 HB ILE 87 10.811 -7.690 -6.973 652 1HG1 ILE 87 2HG1 ILE 87 7.982 -7.337 -7.843 653 2HG1 ILE 87 1HG1 ILE 87 8.579 -6.202 -6.633 654 1HG2 ILE 87 1HG2 ILE 87 9.821 -10.121 -6.954 655 2HG2 ILE 87 2HG2 ILE 87 10.106 -9.311 -8.494 656 3HG2 ILE 87 3HG2 ILE 87 8.477 -9.379 -7.821 657 1HD1 ILE 87 1HD1 ILE 87 9.436 -5.055 -8.391 658 2HD1 ILE 87 2HD1 ILE 87 9.271 -6.432 -9.479 659 3HD1 ILE 87 3HD1 ILE 87 10.676 -6.308 -8.423 660 HA PRO 88 HA PRO 88 11.220 -5.449 -2.713 661 1HB PRO 88 2HB PRO 88 13.929 -5.447 -3.203 662 2HB PRO 88 1HB PRO 88 13.128 -6.593 -2.114 663 1HG PRO 88 2HG PRO 88 14.204 -7.050 -4.857 664 2HG PRO 88 1HG PRO 88 13.989 -8.203 -3.529 665 1HD PRO 88 2HD PRO 88 12.291 -7.928 -5.776 666 2HD PRO 88 1HD PRO 88 11.920 -8.829 -4.291 667 H ARG 89 H ARG 89 10.106 -3.882 -4.096 668 HA ARG 89 HA ARG 89 10.076 -1.854 -5.262 669 1HB ARG 89 2HB ARG 89 12.429 -1.666 -4.129 670 2HB ARG 89 1HB ARG 89 13.042 -2.036 -5.741 671 1HG ARG 89 2HG ARG 89 12.935 0.328 -5.694 672 2HG ARG 89 1HG ARG 89 11.480 -0.152 -6.566 673 1HD ARG 89 2HD ARG 89 10.513 -0.188 -4.043 674 2HD ARG 89 1HD ARG 89 11.756 1.050 -3.861 675 HE ARG 89 HE ARG 89 10.541 2.448 -5.382 676 1HH1 ARG 89 1HH2 ARG 89 8.247 1.134 -3.816 677 2HH1 ARG 89 2HH2 ARG 89 7.167 0.722 -5.106 678 1HH2 ARG 89 2HH1 ARG 89 9.559 1.126 -7.593 679 2HH2 ARG 89 1HH1 ARG 89 7.912 0.716 -7.248 680 H ASP 90 H ASP 90 9.805 -1.276 -7.420 681 HA ASP 90 HA ASP 90 10.401 -3.412 -9.405 682 1HB ASP 90 2HB ASP 90 8.100 -1.948 -8.919 683 2HB ASP 90 1HB ASP 90 8.798 -1.119 -10.310 684 H ARG 91 H ARG 91 10.699 -2.283 -11.745 685 HA ARG 91 HA ARG 91 12.153 -1.107 -13.150 686 1HB ARG 91 2HB ARG 91 11.510 0.810 -10.974 687 2HB ARG 91 1HB ARG 91 12.941 1.186 -11.933 688 1HG ARG 91 2HG ARG 91 11.709 1.749 -13.740 689 2HG ARG 91 1HG ARG 91 10.688 0.318 -13.587 690 1HD ARG 91 2HD ARG 91 10.373 2.629 -11.676 691 2HD ARG 91 1HD ARG 91 9.596 2.663 -13.259 692 HE ARG 91 HE ARG 91 8.935 0.800 -11.050 693 1HH1 ARG 91 2HH1 ARG 91 8.818 -0.692 -13.615 694 2HH1 ARG 91 1HH1 ARG 91 7.207 -0.380 -14.169 695 1HH2 ARG 91 1HH2 ARG 91 6.703 2.307 -12.020 696 2HH2 ARG 91 2HH2 ARG 91 5.997 1.311 -13.249 697 H VAL 92 H VAL 92 13.196 -2.944 -10.915 698 HA VAL 92 HA VAL 92 16.043 -2.099 -11.167 699 HB VAL 92 HB VAL 92 16.419 -2.903 -8.798 700 1HG1 VAL 92 1HG1 VAL 92 14.573 -0.748 -8.241 701 2HG1 VAL 92 2HG1 VAL 92 15.444 -0.428 -9.741 702 3HG1 VAL 92 3HG1 VAL 92 16.337 -0.724 -8.249 703 1HG2 VAL 92 1HG2 VAL 92 14.614 -4.186 -8.127 704 2HG2 VAL 92 2HG2 VAL 92 13.445 -3.188 -8.991 705 3HG2 VAL 92 3HG2 VAL 92 14.120 -2.630 -7.461 706 H GLY 93 H GLY 93 15.052 -3.894 -12.888 707 1HA GLY 93 2HA GLY 93 16.088 -5.994 -13.602 708 2HA GLY 93 1HA GLY 93 16.146 -6.497 -11.912 709 H HIS 94 HN HIS 94 13.487 -5.806 -11.164 710 HA HIS 94 HA HIS 94 11.862 -7.632 -12.896 711 1HB HIS 94 2HB HIS 94 12.558 -7.878 -10.101 712 2HB HIS 94 1HB HIS 94 10.811 -7.707 -10.269 713 HD1 HIS 94 HD1 HIS 94 13.201 -10.285 -10.133 714 HD2 HIS 94 HD2 HIS 94 9.993 -9.538 -12.689 715 HE1 HIS 94 HE1 HIS 94 12.624 -12.495 -11.226 Start of MODEL 6 1 1H MET 1 1H MET 1 -20.088 -4.610 -12.713 2 2H MET 1 2H MET 1 -21.454 -4.801 -11.720 3 3H MET 1 3H MET 1 -20.644 -3.308 -11.780 4 HA MET 1 HA MET 1 -22.800 -3.504 -13.086 5 1HB MET 1 2HB MET 1 -20.189 -2.358 -13.862 6 2HB MET 1 1HB MET 1 -21.337 -2.536 -15.192 7 1HG MET 1 2HG MET 1 -23.063 -1.399 -13.720 8 2HG MET 1 1HG MET 1 -21.754 -1.031 -12.595 9 1HE MET 1 1HE MET 1 -23.727 0.716 -13.774 10 2HE MET 1 2HE MET 1 -23.111 2.032 -14.770 11 3HE MET 1 3HE MET 1 -22.504 1.821 -13.128 12 H SER 2 H SER 2 -23.633 -4.168 -15.203 13 HA SER 2 HA SER 2 -23.933 -5.691 -16.968 14 1HB SER 2 2HB SER 2 -21.241 -5.117 -17.021 15 2HB SER 2 1HB SER 2 -21.226 -6.864 -16.822 16 HG SER 2 HG SER 2 -21.690 -5.465 -19.009 17 H GLY 3 H GLY 3 -25.344 -7.076 -15.877 18 1HA GLY 3 2HA GLY 3 -26.013 -9.185 -15.033 19 2HA GLY 3 1HA GLY 3 -24.319 -9.695 -15.055 20 H GLY 4 H GLY 4 -25.909 -6.935 -13.487 21 1HA GLY 4 2HA GLY 4 -26.362 -7.180 -10.972 22 2HA GLY 4 1HA GLY 4 -24.697 -7.776 -10.893 23 H THR 5 H THR 5 -26.415 -5.002 -12.389 24 HA THR 5 HA THR 5 -24.252 -3.213 -12.520 25 HB THR 5 HB THR 5 -27.200 -2.666 -12.090 26 HG1 THR 5 HG1 THR 5 -26.653 -3.670 -14.040 27 1HG2 THR 5 1HG2 THR 5 -26.329 -0.615 -11.459 28 2HG2 THR 5 2HG2 THR 5 -26.385 -0.402 -13.208 29 3HG2 THR 5 3HG2 THR 5 -24.864 -0.819 -12.418 30 H ALA 6 H ALA 6 -22.914 -2.719 -10.858 31 HA ALA 6 HA ALA 6 -23.981 -2.541 -8.099 32 1HB ALA 6 1HB ALA 6 -21.714 -3.681 -8.965 33 2HB ALA 6 2HB ALA 6 -21.828 -2.941 -7.370 34 3HB ALA 6 3HB ALA 6 -21.095 -2.050 -8.704 35 H ALA 7 H ALA 7 -25.124 -0.532 -8.209 36 HA ALA 7 HA ALA 7 -23.594 1.906 -8.915 37 1HB ALA 7 1HB ALA 7 -25.756 3.069 -8.492 38 2HB ALA 7 2HB ALA 7 -26.470 1.526 -8.020 39 3HB ALA 7 3HB ALA 7 -25.916 1.774 -9.676 40 H THR 8 H THR 8 -25.285 0.515 -6.080 41 HA THR 8 HA THR 8 -23.960 2.527 -4.337 42 HB THR 8 HB THR 8 -25.361 1.488 -2.515 43 HG1 THR 8 HG1 THR 8 -26.082 -0.411 -3.024 44 1HG2 THR 8 1HG2 THR 8 -27.436 2.521 -3.229 45 2HG2 THR 8 2HG2 THR 8 -26.950 2.412 -4.921 46 3HG2 THR 8 3HG2 THR 8 -26.086 3.489 -3.824 47 H THR 9 H THR 9 -24.419 -1.039 -4.411 48 HA THR 9 HA THR 9 -22.098 -1.417 -2.645 49 HB THR 9 HB THR 9 -22.573 -3.856 -3.023 50 HG1 THR 9 HG1 THR 9 -23.679 -4.303 -4.733 51 1HG2 THR 9 1HG2 THR 9 -24.774 -3.853 -1.881 52 2HG2 THR 9 2HG2 THR 9 -24.946 -2.138 -2.250 53 3HG2 THR 9 3HG2 THR 9 -23.661 -2.683 -1.171 54 H ALA 10 H ALA 10 -20.500 -3.216 -3.453 55 HA ALA 10 HA ALA 10 -19.328 -2.247 -5.979 56 1HB ALA 10 1HB ALA 10 -17.932 -4.509 -4.895 57 2HB ALA 10 2HB ALA 10 -18.338 -3.417 -3.573 58 3HB ALA 10 3HB ALA 10 -17.408 -2.827 -4.949 59 H GLY 11 H GLY 11 -21.156 -4.971 -4.757 60 1HA GLY 11 2HA GLY 11 -22.197 -6.736 -5.896 61 2HA GLY 11 1HA GLY 11 -21.729 -5.957 -7.407 62 H SER 12 H SER 12 -19.604 -6.373 -8.247 63 HA SER 12 HA SER 12 -18.564 -9.038 -7.451 64 1HB SER 12 2HB SER 12 -17.327 -8.891 -9.629 65 2HB SER 12 1HB SER 12 -19.074 -8.785 -9.818 66 HG SER 12 HG SER 12 -17.896 -7.173 -11.002 67 H LYS 13 H LYS 13 -16.488 -9.293 -6.658 68 HA LYS 13 HA LYS 13 -14.852 -6.807 -6.327 69 1HB LYS 13 2HB LYS 13 -15.021 -9.157 -4.411 70 2HB LYS 13 1HB LYS 13 -14.079 -7.683 -4.178 71 1HG LYS 13 2HG LYS 13 -16.578 -6.661 -4.684 72 2HG LYS 13 1HG LYS 13 -16.970 -8.142 -3.810 73 1HD LYS 13 2HD LYS 13 -14.763 -6.459 -2.708 74 2HD LYS 13 1HD LYS 13 -16.408 -5.844 -2.531 75 1HE LYS 13 2HE LYS 13 -16.804 -7.295 -0.855 76 2HE LYS 13 1HE LYS 13 -16.386 -8.652 -1.900 77 1HZ LYS 13 1HZ LYS 13 -14.366 -6.970 -0.523 78 2HZ LYS 13 2HZ LYS 13 -14.108 -8.443 -1.333 79 3HZ LYS 13 3HZ LYS 13 -14.978 -8.411 0.127 80 H VAL 14 H VAL 14 -12.608 -7.035 -6.637 81 HA VAL 14 HA VAL 14 -11.809 -9.491 -8.114 82 HB VAL 14 HB VAL 14 -9.759 -8.048 -8.693 83 1HG1 VAL 14 1HG1 VAL 14 -12.441 -8.074 -9.715 84 2HG1 VAL 14 2HG1 VAL 14 -10.932 -7.851 -10.598 85 3HG1 VAL 14 3HG1 VAL 14 -11.770 -6.455 -9.920 86 1HG2 VAL 14 1HG2 VAL 14 -10.253 -6.413 -6.784 87 2HG2 VAL 14 2HG2 VAL 14 -11.567 -5.794 -7.784 88 3HG2 VAL 14 3HG2 VAL 14 -9.901 -5.683 -8.349 89 H THR 15 H THR 15 -10.523 -10.972 -7.170 90 HA THR 15 HA THR 15 -9.149 -10.250 -4.614 91 HB THR 15 HB THR 15 -9.801 -13.024 -5.655 92 HG1 THR 15 HG1 THR 15 -11.225 -11.357 -3.850 93 1HG2 THR 15 1HG2 THR 15 -9.519 -13.592 -3.226 94 2HG2 THR 15 2HG2 THR 15 -8.968 -11.940 -2.953 95 3HG2 THR 15 3HG2 THR 15 -8.040 -13.019 -3.995 96 H PHE 16 H PHE 16 -6.934 -10.328 -4.546 97 HA PHE 16 HA PHE 16 -5.514 -11.547 -6.890 98 1HB PHE 16 2HB PHE 16 -4.334 -9.318 -5.242 99 2HB PHE 16 1HB PHE 16 -3.933 -9.807 -6.885 100 HD1 PHE 16 HD1 PHE 16 -5.603 -9.368 -8.742 101 HD2 PHE 16 HD2 PHE 16 -6.010 -7.692 -4.809 102 HE1 PHE 16 HE1 PHE 16 -7.169 -7.663 -9.629 103 HE2 PHE 16 HE2 PHE 16 -7.577 -5.990 -5.698 104 HZ PHE 16 HZ PHE 16 -8.153 -5.975 -8.107 105 H LYS 17 H LYS 17 -3.986 -13.068 -6.396 106 HA LYS 17 HA LYS 17 -3.307 -13.435 -3.509 107 1HB LYS 17 2HB LYS 17 -2.727 -15.773 -4.114 108 2HB LYS 17 1HB LYS 17 -4.406 -15.396 -4.488 109 1HG LYS 17 2HG LYS 17 -3.488 -14.801 -6.863 110 2HG LYS 17 1HG LYS 17 -2.086 -15.751 -6.374 111 1HD LYS 17 2HD LYS 17 -3.204 -17.635 -6.855 112 2HD LYS 17 1HD LYS 17 -4.403 -17.226 -5.628 113 1HE LYS 17 2HE LYS 17 -5.914 -16.511 -7.168 114 2HE LYS 17 1HE LYS 17 -4.683 -15.707 -8.139 115 1HZ LYS 17 1HZ LYS 17 -4.833 -17.394 -9.548 116 2HZ LYS 17 2HZ LYS 17 -5.867 -18.256 -8.509 117 3HZ LYS 17 3HZ LYS 17 -4.182 -18.416 -8.362 118 H ILE 18 H ILE 18 -1.504 -12.177 -3.245 119 HA ILE 18 HA ILE 18 0.651 -12.240 -5.266 120 HB ILE 18 HB ILE 18 0.510 -10.711 -2.647 121 1HG1 ILE 18 2HG1 ILE 18 0.217 -8.986 -4.863 122 2HG1 ILE 18 1HG1 ILE 18 -0.875 -10.336 -5.167 123 1HG2 ILE 18 1HG2 ILE 18 2.297 -9.373 -3.572 124 2HG2 ILE 18 2HG2 ILE 18 2.195 -10.215 -5.119 125 3HG2 ILE 18 3HG2 ILE 18 2.783 -11.064 -3.688 126 1HD1 ILE 18 1HD1 ILE 18 -1.400 -9.931 -2.549 127 2HD1 ILE 18 2HD1 ILE 18 -2.280 -9.107 -3.837 128 3HD1 ILE 18 3HD1 ILE 18 -0.952 -8.289 -3.014 129 H THR 19 H THR 19 2.534 -13.369 -5.006 130 HA THR 19 HA THR 19 2.990 -14.733 -2.377 131 HB THR 19 HB THR 19 3.724 -15.792 -5.128 132 HG1 THR 19 HG1 THR 19 1.737 -16.419 -5.186 133 1HG2 THR 19 1HG2 THR 19 4.153 -16.686 -2.322 134 2HG2 THR 19 2HG2 THR 19 5.166 -16.923 -3.746 135 3HG2 THR 19 3HG2 THR 19 3.738 -17.930 -3.502 136 H LEU 20 H LEU 20 4.717 -13.715 -1.441 137 HA LEU 20 HA LEU 20 6.628 -12.160 -2.908 138 1HB LEU 20 2HB LEU 20 7.617 -11.678 -0.856 139 2HB LEU 20 1HB LEU 20 5.984 -12.107 -0.359 140 HG LEU 20 HG LEU 20 8.237 -14.130 -0.444 141 1HD1 LEU 20 1HD1 LEU 20 7.366 -12.263 1.770 142 2HD1 LEU 20 2HD1 LEU 20 8.987 -12.486 1.115 143 3HD1 LEU 20 3HD1 LEU 20 8.246 -13.758 2.084 144 1HD2 LEU 20 1HD2 LEU 20 5.496 -14.014 0.849 145 2HD2 LEU 20 2HD2 LEU 20 6.700 -15.237 1.253 146 3HD2 LEU 20 3HD2 LEU 20 6.050 -15.147 -0.384 147 H THR 21 H THR 21 8.670 -12.655 -3.671 148 HA THR 21 HA THR 21 9.361 -15.559 -3.732 149 HB THR 21 HB THR 21 8.942 -14.469 -5.927 150 HG1 THR 21 HG1 THR 21 10.390 -15.796 -6.606 151 1HG2 THR 21 1HG2 THR 21 10.722 -12.847 -6.724 152 2HG2 THR 21 2HG2 THR 21 11.246 -12.713 -5.047 153 3HG2 THR 21 3HG2 THR 21 9.620 -12.206 -5.506 154 H SER 22 H SER 22 10.274 -12.790 -2.095 155 HA SER 22 HA SER 22 13.175 -13.217 -2.186 156 1HB SER 22 2HB SER 22 11.417 -11.142 -1.304 157 2HB SER 22 1HB SER 22 12.411 -11.629 0.065 158 HG SER 22 HG SER 22 13.439 -10.043 -1.222 159 H ASP 23 H ASP 23 10.558 -13.731 0.203 160 HA ASP 23 HA ASP 23 12.440 -15.470 1.745 161 1HB ASP 23 2HB ASP 23 11.267 -13.375 2.793 162 2HB ASP 23 1HB ASP 23 9.852 -14.424 2.859 163 HA PRO 24 HA PRO 24 9.758 -18.706 0.225 164 1HB PRO 24 2HB PRO 24 11.337 -20.749 1.169 165 2HB PRO 24 1HB PRO 24 11.663 -19.868 -0.333 166 1HG PRO 24 2HG PRO 24 13.051 -19.668 2.298 167 2HG PRO 24 1HG PRO 24 13.670 -19.327 0.674 168 1HD PRO 24 2HD PRO 24 12.834 -17.399 2.571 169 2HD PRO 24 1HD PRO 24 13.147 -17.104 0.846 170 H LYS 25 H LYS 25 10.962 -18.416 3.557 171 HA LYS 25 HA LYS 25 9.281 -20.420 4.736 172 1HB LYS 25 2HB LYS 25 10.697 -17.989 5.830 173 2HB LYS 25 1HB LYS 25 9.671 -18.990 6.857 174 1HG LYS 25 2HG LYS 25 11.052 -20.873 6.626 175 2HG LYS 25 1HG LYS 25 11.801 -20.261 5.151 176 1HD LYS 25 2HD LYS 25 12.157 -18.560 7.554 177 2HD LYS 25 1HD LYS 25 12.979 -20.121 7.602 178 1HE LYS 25 2HE LYS 25 14.520 -19.452 6.092 179 2HE LYS 25 1HE LYS 25 13.280 -18.831 5.004 180 1HZ LYS 25 1HZ LYS 25 14.794 -17.099 5.843 181 2HZ LYS 25 2HZ LYS 25 14.259 -17.412 7.424 182 3HZ LYS 25 3HZ LYS 25 13.177 -16.809 6.262 183 H LEU 26 H LEU 26 8.814 -16.905 4.255 184 HA LEU 26 HA LEU 26 6.232 -16.842 5.564 185 1HB LEU 26 2HB LEU 26 7.799 -14.967 3.832 186 2HB LEU 26 1HB LEU 26 6.078 -14.656 4.067 187 HG LEU 26 HG LEU 26 7.522 -15.340 6.545 188 1HD1 LEU 26 1HD1 LEU 26 8.161 -12.809 5.002 189 2HD1 LEU 26 2HD1 LEU 26 9.301 -14.062 5.492 190 3HD1 LEU 26 3HD1 LEU 26 8.529 -13.048 6.711 191 1HD2 LEU 26 1HD2 LEU 26 6.243 -13.288 7.291 192 2HD2 LEU 26 2HD2 LEU 26 5.231 -14.566 6.616 193 3HD2 LEU 26 3HD2 LEU 26 5.627 -13.149 5.643 194 HA PRO 27 HA PRO 27 3.866 -18.576 2.241 195 1HB PRO 27 2HB PRO 27 1.401 -18.061 3.338 196 2HB PRO 27 1HB PRO 27 2.455 -19.381 3.871 197 1HG PRO 27 2HG PRO 27 1.868 -16.789 5.219 198 2HG PRO 27 1HG PRO 27 2.361 -18.336 5.928 199 1HD PRO 27 2HD PRO 27 4.043 -16.100 5.484 200 2HD PRO 27 1HD PRO 27 4.574 -17.747 5.888 201 H PHE 28 H PHE 28 1.983 -17.866 0.803 202 HA PHE 28 HA PHE 28 2.428 -15.137 -0.125 203 1HB PHE 28 2HB PHE 28 0.954 -15.700 -1.954 204 2HB PHE 28 1HB PHE 28 1.993 -17.089 -1.658 205 HD1 PHE 28 HD1 PHE 28 1.098 -19.093 -0.456 206 HD2 PHE 28 HD2 PHE 28 -1.423 -15.807 -1.596 207 HE1 PHE 28 HE1 PHE 28 -0.904 -20.516 -0.133 208 HE2 PHE 28 HE2 PHE 28 -3.423 -17.235 -1.272 209 HZ PHE 28 HZ PHE 28 -3.165 -19.587 -0.539 210 H LYS 29 H LYS 29 0.569 -13.610 -0.494 211 HA LYS 29 HA LYS 29 -1.407 -13.785 1.750 212 1HB LYS 29 2HB LYS 29 0.556 -11.920 1.534 213 2HB LYS 29 1HB LYS 29 -0.735 -11.117 0.641 214 1HG LYS 29 2HG LYS 29 -1.701 -12.361 3.105 215 2HG LYS 29 1HG LYS 29 -0.450 -11.156 3.408 216 1HD LYS 29 2HD LYS 29 -1.767 -9.618 1.831 217 2HD LYS 29 1HD LYS 29 -3.084 -10.781 1.977 218 1HE LYS 29 2HE LYS 29 -2.680 -10.528 4.550 219 2HE LYS 29 1HE LYS 29 -1.868 -9.030 4.099 220 1HZ LYS 29 1HZ LYS 29 -3.893 -8.137 4.110 221 2HZ LYS 29 2HZ LYS 29 -4.665 -9.649 4.145 222 3HZ LYS 29 3HZ LYS 29 -4.182 -8.974 2.664 223 H VAL 30 H VAL 30 -3.543 -13.444 1.253 224 HA VAL 30 HA VAL 30 -4.207 -12.934 -1.618 225 HB VAL 30 HB VAL 30 -5.970 -14.144 0.540 226 1HG1 VAL 30 1HG1 VAL 30 -7.035 -15.000 -1.748 227 2HG1 VAL 30 2HG1 VAL 30 -6.270 -13.541 -2.379 228 3HG1 VAL 30 3HG1 VAL 30 -7.460 -13.423 -1.082 229 1HG2 VAL 30 1HG2 VAL 30 -4.090 -15.633 0.119 230 2HG2 VAL 30 2HG2 VAL 30 -4.290 -15.452 -1.623 231 3HG2 VAL 30 3HG2 VAL 30 -5.519 -16.293 -0.678 232 H LEU 31 H LEU 31 -5.398 -11.123 -2.130 233 HA LEU 31 HA LEU 31 -6.496 -9.516 0.144 234 1HB LEU 31 2HB LEU 31 -4.632 -8.764 -2.028 235 2HB LEU 31 1HB LEU 31 -5.951 -7.626 -1.752 236 HG LEU 31 HG LEU 31 -4.776 -8.576 0.750 237 1HD1 LEU 31 1HD1 LEU 31 -2.636 -7.425 0.536 238 2HD1 LEU 31 2HD1 LEU 31 -3.016 -6.966 -1.123 239 3HD1 LEU 31 3HD1 LEU 31 -2.754 -8.661 -0.717 240 1HD2 LEU 31 1HD2 LEU 31 -4.995 -6.300 1.345 241 2HD2 LEU 31 2HD2 LEU 31 -6.314 -6.554 0.204 242 3HD2 LEU 31 3HD2 LEU 31 -4.834 -5.755 -0.324 243 H SER 32 H SER 32 -8.673 -9.584 -0.031 244 HA SER 32 HA SER 32 -9.912 -9.664 -2.744 245 1HB SER 32 2HB SER 32 -12.008 -10.256 -1.441 246 2HB SER 32 1HB SER 32 -10.712 -11.442 -1.332 247 HG SER 32 HG SER 32 -11.685 -10.870 0.709 248 H VAL 33 H VAL 33 -10.354 -7.652 -3.496 249 HA VAL 33 HA VAL 33 -11.735 -5.739 -1.674 250 HB VAL 33 HB VAL 33 -10.363 -3.894 -2.813 251 1HG1 VAL 33 1HG1 VAL 33 -9.978 -4.472 -0.492 252 2HG1 VAL 33 2HG1 VAL 33 -8.411 -4.276 -1.279 253 3HG1 VAL 33 3HG1 VAL 33 -9.040 -5.892 -0.958 254 1HG2 VAL 33 1HG2 VAL 33 -9.503 -5.544 -4.587 255 2HG2 VAL 33 2HG2 VAL 33 -8.419 -6.154 -3.337 256 3HG2 VAL 33 3HG2 VAL 33 -8.302 -4.476 -3.863 257 HA PRO 34 HA PRO 34 -14.368 -5.088 -5.134 258 1HB PRO 34 2HB PRO 34 -15.243 -2.544 -4.564 259 2HB PRO 34 1HB PRO 34 -15.790 -3.987 -3.695 260 1HG PRO 34 2HG PRO 34 -13.886 -1.869 -2.806 261 2HG PRO 34 1HG PRO 34 -14.938 -2.913 -1.835 262 1HD PRO 34 2HD PRO 34 -12.162 -3.268 -2.213 263 2HD PRO 34 1HD PRO 34 -13.286 -4.479 -1.559 264 H GLU 35 H GLU 35 -14.552 -3.888 -7.138 265 HA GLU 35 HA GLU 35 -12.084 -2.884 -8.209 266 1HB GLU 35 2HB GLU 35 -14.938 -2.902 -9.198 267 2HB GLU 35 1HB GLU 35 -13.668 -2.089 -10.111 268 1HG GLU 35 2HG GLU 35 -13.336 -4.134 -11.052 269 2HG GLU 35 1HG GLU 35 -12.471 -4.490 -9.558 270 H SER 36 H SER 36 -11.538 -1.239 -6.674 271 HA SER 36 HA SER 36 -12.145 1.432 -7.457 272 1HB SER 36 2HB SER 36 -13.382 2.147 -5.375 273 2HB SER 36 1HB SER 36 -14.329 1.126 -6.452 274 HG SER 36 HG SER 36 -14.593 0.114 -4.581 275 H THR 37 H THR 37 -11.163 -0.725 -4.798 276 HA THR 37 HA THR 37 -9.579 1.153 -3.341 277 HB THR 37 HB THR 37 -8.350 -0.904 -2.519 278 HG1 THR 37 HG1 THR 37 -8.429 -2.403 -4.016 279 1HG2 THR 37 1HG2 THR 37 -11.183 -1.687 -2.329 280 2HG2 THR 37 2HG2 THR 37 -10.871 0.006 -1.946 281 3HG2 THR 37 3HG2 THR 37 -10.040 -1.268 -1.052 282 HA PRO 38 HA PRO 38 -6.198 1.713 -6.126 283 1HB PRO 38 2HB PRO 38 -4.497 2.929 -4.341 284 2HB PRO 38 1HB PRO 38 -5.875 3.746 -5.096 285 1HG PRO 38 2HG PRO 38 -5.588 2.740 -2.303 286 2HG PRO 38 1HG PRO 38 -6.597 4.058 -2.922 287 1HD PRO 38 2HD PRO 38 -7.494 1.457 -2.261 288 2HD PRO 38 1HD PRO 38 -8.402 2.671 -3.189 289 H PHE 39 H PHE 39 -4.128 0.801 -6.575 290 HA PHE 39 HA PHE 39 -3.521 -1.708 -5.305 291 1HB PHE 39 2HB PHE 39 -2.933 -0.811 -7.718 292 2HB PHE 39 1HB PHE 39 -1.468 -0.236 -6.925 293 HD1 PHE 39 HD1 PHE 39 0.353 -1.686 -6.993 294 HD2 PHE 39 HD2 PHE 39 -3.615 -3.326 -6.878 295 HE1 PHE 39 HE1 PHE 39 1.297 -3.976 -7.073 296 HE2 PHE 39 HE2 PHE 39 -2.670 -5.617 -6.960 297 HZ PHE 39 HZ PHE 39 -0.214 -5.941 -7.057 298 H THR 40 H THR 40 -2.657 1.557 -4.532 299 HA THR 40 HA THR 40 -0.149 1.140 -3.223 300 HB THR 40 HB THR 40 -0.847 3.178 -1.853 301 HG1 THR 40 HG1 THR 40 -2.868 3.679 -1.890 302 1HG2 THR 40 1HG2 THR 40 0.414 3.469 -3.897 303 2HG2 THR 40 2HG2 THR 40 -0.860 4.688 -3.855 304 3HG2 THR 40 3HG2 THR 40 -1.041 3.259 -4.872 305 H ALA 41 H ALA 41 -3.510 0.951 -2.040 306 HA ALA 41 HA ALA 41 -2.740 0.164 0.655 307 1HB ALA 41 1HB ALA 41 -5.400 -0.092 -0.786 308 2HB ALA 41 2HB ALA 41 -4.897 1.278 0.203 309 3HB ALA 41 3HB ALA 41 -5.151 -0.301 0.947 310 H VAL 42 H VAL 42 -3.787 -1.546 -2.296 311 HA VAL 42 HA VAL 42 -4.015 -4.161 -1.160 312 HB VAL 42 HB VAL 42 -3.192 -3.339 -3.966 313 1HG1 VAL 42 1HG1 VAL 42 -3.236 -5.913 -2.707 314 2HG1 VAL 42 2HG1 VAL 42 -2.902 -5.530 -4.395 315 3HG1 VAL 42 3HG1 VAL 42 -4.556 -5.847 -3.874 316 1HG2 VAL 42 1HG2 VAL 42 -5.431 -3.204 -4.490 317 2HG2 VAL 42 2HG2 VAL 42 -5.545 -2.770 -2.785 318 3HG2 VAL 42 3HG2 VAL 42 -5.891 -4.421 -3.299 319 H LEU 43 H LEU 43 -1.246 -2.602 -2.812 320 HA LEU 43 HA LEU 43 0.627 -4.720 -2.404 321 1HB LEU 43 2HB LEU 43 0.819 -2.644 -3.931 322 2HB LEU 43 1HB LEU 43 1.368 -1.790 -2.489 323 HG LEU 43 HG LEU 43 2.706 -4.376 -2.880 324 1HD1 LEU 43 1HD1 LEU 43 2.554 -3.908 -5.224 325 2HD1 LEU 43 2HD1 LEU 43 4.170 -3.404 -4.730 326 3HD1 LEU 43 3HD1 LEU 43 2.905 -2.199 -4.974 327 1HD2 LEU 43 1HD2 LEU 43 4.702 -2.731 -2.644 328 2HD2 LEU 43 2HD2 LEU 43 3.619 -2.909 -1.263 329 3HD2 LEU 43 3HD2 LEU 43 3.471 -1.508 -2.324 330 H LYS 44 H LYS 44 -0.335 -1.977 -0.374 331 HA LYS 44 HA LYS 44 1.732 -2.207 1.594 332 1HB LYS 44 2HB LYS 44 -0.686 -0.688 1.224 333 2HB LYS 44 1HB LYS 44 -0.657 -1.333 2.865 334 1HG LYS 44 2HG LYS 44 1.886 -0.512 2.735 335 2HG LYS 44 1HG LYS 44 1.198 0.604 1.553 336 1HD LYS 44 2HD LYS 44 0.107 1.796 3.147 337 2HD LYS 44 1HD LYS 44 -0.421 0.342 3.994 338 1HE LYS 44 2HE LYS 44 2.229 0.263 4.550 339 2HE LYS 44 1HE LYS 44 2.001 2.005 4.412 340 1HZ LYS 44 1HZ LYS 44 0.338 0.220 6.107 341 2HZ LYS 44 2HZ LYS 44 0.263 1.919 6.034 342 3HZ LYS 44 3HZ LYS 44 1.636 1.153 6.677 343 H PHE 45 H PHE 45 -1.610 -3.503 1.564 344 HA PHE 45 HA PHE 45 -1.468 -4.909 4.030 345 1HB PHE 45 2HB PHE 45 -3.178 -5.011 1.605 346 2HB PHE 45 1HB PHE 45 -3.177 -6.462 2.608 347 HD1 PHE 45 HD1 PHE 45 -3.617 -6.206 5.117 348 HD2 PHE 45 HD2 PHE 45 -4.373 -3.078 2.273 349 HE1 PHE 45 HE1 PHE 45 -5.109 -5.082 6.748 350 HE2 PHE 45 HE2 PHE 45 -5.864 -1.955 3.904 351 HZ PHE 45 HZ PHE 45 -6.232 -2.958 6.143 352 H ALA 46 H ALA 46 -0.653 -5.999 0.721 353 HA ALA 46 HA ALA 46 -0.003 -8.702 1.455 354 1HB ALA 46 1HB ALA 46 0.424 -6.944 -0.900 355 2HB ALA 46 2HB ALA 46 -0.158 -8.607 -0.829 356 3HB ALA 46 3HB ALA 46 1.570 -8.273 -0.720 357 H ALA 47 H ALA 47 2.009 -5.773 1.070 358 HA ALA 47 HA ALA 47 4.514 -6.994 1.727 359 1HB ALA 47 1HB ALA 47 3.564 -4.382 1.122 360 2HB ALA 47 2HB ALA 47 5.237 -4.926 1.211 361 3HB ALA 47 3HB ALA 47 4.445 -4.271 2.644 362 H GLU 48 H GLU 48 1.895 -5.744 3.740 363 HA GLU 48 HA GLU 48 3.282 -5.523 6.217 364 1HB GLU 48 2HB GLU 48 0.516 -5.580 5.315 365 2HB GLU 48 1HB GLU 48 0.703 -6.446 6.840 366 1HG GLU 48 2HG GLU 48 1.051 -4.532 7.990 367 2HG GLU 48 1HG GLU 48 2.226 -3.952 6.810 368 H GLU 49 H GLU 49 1.476 -8.307 4.850 369 HA GLU 49 HA GLU 49 2.156 -10.104 7.010 370 1HB GLU 49 2HB GLU 49 0.226 -10.434 5.439 371 2HB GLU 49 1HB GLU 49 1.382 -10.801 4.158 372 1HG GLU 49 2HG GLU 49 1.937 -12.351 6.563 373 2HG GLU 49 1HG GLU 49 0.293 -12.625 5.987 374 H PHE 50 H PHE 50 3.591 -9.424 3.827 375 HA PHE 50 HA PHE 50 5.567 -11.516 3.900 376 1HB PHE 50 2HB PHE 50 5.550 -8.864 2.434 377 2HB PHE 50 1HB PHE 50 6.699 -10.163 2.135 378 HD1 PHE 50 HD1 PHE 50 4.597 -12.441 2.624 379 HD2 PHE 50 HD2 PHE 50 4.587 -8.885 0.215 380 HE1 PHE 50 HE1 PHE 50 2.962 -13.486 1.082 381 HE2 PHE 50 HE2 PHE 50 2.954 -9.933 -1.325 382 HZ PHE 50 HZ PHE 50 2.143 -12.231 -0.890 383 H LYS 51 H LYS 51 5.360 -8.479 5.541 384 HA LYS 51 HA LYS 51 6.757 -7.569 7.185 385 1HB LYS 51 2HB LYS 51 7.635 -10.220 7.055 386 2HB LYS 51 1HB LYS 51 9.103 -9.269 6.833 387 1HG LYS 51 2HG LYS 51 7.961 -7.871 8.849 388 2HG LYS 51 1HG LYS 51 7.317 -9.476 9.199 389 1HD LYS 51 2HD LYS 51 9.293 -10.070 10.090 390 2HD LYS 51 1HD LYS 51 10.074 -9.787 8.535 391 1HE LYS 51 2HE LYS 51 9.585 -7.231 9.672 392 2HE LYS 51 1HE LYS 51 10.268 -8.235 10.952 393 1HZ LYS 51 1HZ LYS 51 12.011 -8.902 9.304 394 2HZ LYS 51 2HZ LYS 51 12.070 -7.277 9.795 395 3HZ LYS 51 3HZ LYS 51 11.422 -7.685 8.278 396 H VAL 52 H VAL 52 6.760 -6.791 4.373 397 HA VAL 52 HA VAL 52 9.537 -5.679 4.188 398 HB VAL 52 HB VAL 52 9.102 -5.551 1.687 399 1HG1 VAL 52 1HG1 VAL 52 10.367 -7.401 1.629 400 2HG1 VAL 52 2HG1 VAL 52 8.969 -8.405 2.013 401 3HG1 VAL 52 3HG1 VAL 52 9.940 -7.711 3.311 402 1HG2 VAL 52 1HG2 VAL 52 6.994 -7.651 2.149 403 2HG2 VAL 52 2HG2 VAL 52 7.285 -6.669 0.713 404 3HG2 VAL 52 3HG2 VAL 52 6.550 -5.944 2.143 405 HA PRO 53 HA PRO 53 7.616 -1.719 4.154 406 1HB PRO 53 2HB PRO 53 9.529 -0.307 2.772 407 2HB PRO 53 1HB PRO 53 9.705 -0.818 4.458 408 1HG PRO 53 2HG PRO 53 10.993 -1.940 2.012 409 2HG PRO 53 1HG PRO 53 11.570 -1.954 3.687 410 1HD PRO 53 2HD PRO 53 10.368 -4.127 2.334 411 2HD PRO 53 1HD PRO 53 10.633 -4.008 4.087 412 H ALA 54 H ALA 54 5.936 -1.093 2.895 413 HA ALA 54 HA ALA 54 5.619 -1.907 0.148 414 1HB ALA 54 1HB ALA 54 3.667 -1.547 1.554 415 2HB ALA 54 2HB ALA 54 3.610 -0.414 0.204 416 3HB ALA 54 3HB ALA 54 4.112 0.141 1.801 417 H ALA 55 H ALA 55 6.874 1.015 1.662 418 HA ALA 55 HA ALA 55 6.706 2.816 -0.527 419 1HB ALA 55 1HB ALA 55 8.868 2.608 1.590 420 2HB ALA 55 2HB ALA 55 7.364 3.515 1.742 421 3HB ALA 55 3HB ALA 55 8.576 4.010 0.560 422 H THR 56 H THR 56 9.186 0.366 0.250 423 HA THR 56 HA THR 56 10.411 0.901 -2.429 424 HB THR 56 HB THR 56 12.459 -0.229 -1.440 425 HG1 THR 56 HG1 THR 56 12.202 -1.104 0.430 426 1HG2 THR 56 1HG2 THR 56 12.217 2.238 -1.609 427 2HG2 THR 56 2HG2 THR 56 13.169 1.755 -0.205 428 3HG2 THR 56 3HG2 THR 56 11.490 2.256 -0.002 429 H SER 57 H SER 57 8.135 -0.679 -2.381 430 HA SER 57 HA SER 57 9.278 -3.368 -2.999 431 1HB SER 57 2HB SER 57 7.393 -2.764 -0.930 432 2HB SER 57 1HB SER 57 6.581 -3.720 -2.160 433 HG SER 57 HG SER 57 7.605 -5.087 -0.704 434 H ALA 58 H ALA 58 7.952 -4.599 -4.517 435 HA ALA 58 HA ALA 58 5.972 -3.053 -6.099 436 1HB ALA 58 1HB ALA 58 8.676 -3.371 -6.914 437 2HB ALA 58 2HB ALA 58 7.336 -2.727 -7.862 438 3HB ALA 58 3HB ALA 58 7.710 -4.450 -7.922 439 H ILE 59 H ILE 59 4.796 -4.513 -7.650 440 HA ILE 59 HA ILE 59 4.959 -7.387 -6.837 441 HB ILE 59 HB ILE 59 2.563 -5.564 -6.886 442 1HG1 ILE 59 2HG1 ILE 59 3.343 -7.816 -5.011 443 2HG1 ILE 59 1HG1 ILE 59 3.856 -6.144 -4.781 444 1HG2 ILE 59 1HG2 ILE 59 2.671 -8.469 -7.608 445 2HG2 ILE 59 2HG2 ILE 59 1.601 -7.205 -8.212 446 3HG2 ILE 59 3HG2 ILE 59 1.325 -7.906 -6.619 447 1HD1 ILE 59 1HD1 ILE 59 1.912 -6.247 -3.479 448 2HD1 ILE 59 2HD1 ILE 59 1.086 -7.304 -4.623 449 3HD1 ILE 59 3HD1 ILE 59 1.307 -5.597 -5.003 450 H ILE 60 H ILE 60 5.300 -8.627 -8.607 451 HA ILE 60 HA ILE 60 4.573 -7.544 -11.282 452 HB ILE 60 HB ILE 60 6.073 -9.243 -12.194 453 1HG1 ILE 60 2HG1 ILE 60 7.227 -10.241 -9.736 454 2HG1 ILE 60 1HG1 ILE 60 5.499 -10.592 -9.768 455 1HG2 ILE 60 1HG2 ILE 60 7.690 -8.293 -9.885 456 2HG2 ILE 60 2HG2 ILE 60 6.867 -7.054 -10.833 457 3HG2 ILE 60 3HG2 ILE 60 8.004 -8.153 -11.616 458 1HD1 ILE 60 1HD1 ILE 60 7.462 -11.244 -11.989 459 2HD1 ILE 60 2HD1 ILE 60 5.735 -11.606 -12.002 460 3HD1 ILE 60 3HD1 ILE 60 6.793 -12.403 -10.838 461 H THR 61 H THR 61 3.722 -9.287 -12.870 462 HA THR 61 HA THR 61 1.708 -10.969 -11.429 463 HB THR 61 HB THR 61 0.732 -9.151 -12.801 464 HG1 THR 61 HG1 THR 61 -0.663 -10.743 -12.826 465 1HG2 THR 61 1HG2 THR 61 2.223 -8.739 -14.550 466 2HG2 THR 61 2HG2 THR 61 0.923 -9.604 -15.368 467 3HG2 THR 61 3HG2 THR 61 2.406 -10.449 -14.931 468 H ASN 62 H ASN 62 0.987 -12.918 -12.819 469 HA ASN 62 HA ASN 62 3.238 -14.637 -13.270 470 1HB ASN 62 2HB ASN 62 0.743 -15.202 -12.707 471 2HB ASN 62 1HB ASN 62 0.526 -15.180 -14.457 472 1HD2 ASN 62 1HD2 ASN 62 1.417 -16.934 -15.685 473 2HD2 ASN 62 2HD2 ASN 62 2.187 -18.264 -14.964 474 H ASP 63 H ASP 63 1.632 -12.373 -15.362 475 HA ASP 63 HA ASP 63 2.422 -13.657 -17.865 476 1HB ASP 63 2HB ASP 63 1.577 -10.780 -17.401 477 2HB ASP 63 1HB ASP 63 1.569 -11.651 -18.934 478 H GLY 64 H GLY 64 3.881 -11.392 -15.622 479 1HA GLY 64 2HA GLY 64 6.328 -11.133 -15.666 480 2HA GLY 64 1HA GLY 64 6.256 -11.221 -17.426 481 H VAL 65 H VAL 65 4.351 -9.298 -15.087 482 HA VAL 65 HA VAL 65 5.383 -6.818 -16.402 483 HB VAL 65 HB VAL 65 2.511 -7.269 -15.526 484 1HG1 VAL 65 1HG1 VAL 65 2.068 -5.134 -16.495 485 2HG1 VAL 65 2HG1 VAL 65 3.654 -5.073 -17.262 486 3HG1 VAL 65 3HG1 VAL 65 3.515 -4.914 -15.511 487 1HG2 VAL 65 1HG2 VAL 65 2.639 -8.591 -17.448 488 2HG2 VAL 65 2HG2 VAL 65 3.903 -7.595 -18.170 489 3HG2 VAL 65 3HG2 VAL 65 2.237 -7.019 -18.140 490 H GLY 66 H GLY 66 6.195 -5.411 -14.926 491 1HA GLY 66 2HA GLY 66 6.031 -5.997 -12.080 492 2HA GLY 66 1HA GLY 66 6.892 -4.644 -12.810 493 H VAL 67 H VAL 67 3.776 -5.758 -11.649 494 HA VAL 67 HA VAL 67 2.253 -3.401 -12.260 495 HB VAL 67 HB VAL 67 1.777 -5.213 -9.879 496 1HG1 VAL 67 1HG1 VAL 67 0.061 -3.743 -9.691 497 2HG1 VAL 67 2HG1 VAL 67 -0.630 -4.609 -11.063 498 3HG1 VAL 67 3HG1 VAL 67 0.289 -3.127 -11.328 499 1HG2 VAL 67 1HG2 VAL 67 1.913 -6.833 -11.540 500 2HG2 VAL 67 2HG2 VAL 67 1.446 -5.709 -12.817 501 3HG2 VAL 67 3HG2 VAL 67 0.226 -6.347 -11.714 502 H ASN 68 H ASN 68 2.276 -1.437 -11.313 503 HA ASN 68 HA ASN 68 3.901 -1.081 -8.833 504 1HB ASN 68 2HB ASN 68 3.094 0.816 -11.051 505 2HB ASN 68 1HB ASN 68 3.811 1.377 -9.541 506 1HD2 ASN 68 1HD2 ASN 68 4.573 0.254 -12.668 507 2HD2 ASN 68 2HD2 ASN 68 6.210 -0.106 -12.402 508 HA PRO 69 HA PRO 69 0.336 0.087 -6.535 509 1HB PRO 69 2HB PRO 69 1.455 1.911 -4.802 510 2HB PRO 69 1HB PRO 69 1.698 0.161 -4.675 511 1HG PRO 69 2HG PRO 69 3.590 2.253 -5.640 512 2HG PRO 69 1HG PRO 69 3.936 0.673 -4.917 513 1HD PRO 69 2HD PRO 69 4.061 1.301 -7.676 514 2HD PRO 69 1HD PRO 69 4.087 -0.329 -6.972 515 H ALA 70 H ALA 70 -0.141 1.256 -8.817 516 HA ALA 70 HA ALA 70 -1.073 3.969 -8.143 517 1HB ALA 70 1HB ALA 70 0.253 3.947 -10.769 518 2HB ALA 70 2HB ALA 70 1.369 3.736 -9.420 519 3HB ALA 70 3HB ALA 70 0.323 5.154 -9.485 520 H GLN 71 H GLN 71 -2.293 1.338 -8.799 521 HA GLN 71 HA GLN 71 -3.969 2.243 -11.095 522 1HB GLN 71 2HB GLN 71 -2.655 -0.460 -10.737 523 2HB GLN 71 1HB GLN 71 -4.057 -0.231 -11.782 524 1HG GLN 71 2HG GLN 71 -2.885 1.159 -13.267 525 2HG GLN 71 1HG GLN 71 -1.647 1.549 -12.073 526 1HE2 GLN 71 1HE2 GLN 71 -0.016 -0.148 -11.586 527 2HE2 GLN 71 2HE2 GLN 71 0.269 -1.400 -12.696 528 HA PRO 72 HA PRO 72 -7.284 1.022 -8.459 529 1HB PRO 72 2HB PRO 72 -9.213 0.543 -10.361 530 2HB PRO 72 1HB PRO 72 -8.690 2.165 -9.880 531 1HG PRO 72 2HG PRO 72 -8.058 0.651 -12.370 532 2HG PRO 72 1HG PRO 72 -8.124 2.401 -12.108 533 1HD PRO 72 2HD PRO 72 -5.770 0.842 -12.250 534 2HD PRO 72 1HD PRO 72 -5.880 2.509 -11.647 535 H ALA 73 H ALA 73 -8.263 -0.873 -7.639 536 HA ALA 73 HA ALA 73 -7.098 -3.385 -8.109 537 1HB ALA 73 1HB ALA 73 -9.535 -2.410 -6.738 538 2HB ALA 73 2HB ALA 73 -8.271 -3.492 -6.156 539 3HB ALA 73 3HB ALA 73 -9.554 -4.113 -7.193 540 H GLY 74 H GLY 74 -10.052 -2.022 -9.582 541 1HA GLY 74 2HA GLY 74 -10.890 -4.339 -11.002 542 2HA GLY 74 1HA GLY 74 -11.247 -2.683 -11.490 543 H ASN 75 H ASN 75 -8.712 -1.685 -12.024 544 HA ASN 75 HA ASN 75 -8.162 -2.792 -14.629 545 1HB ASN 75 2HB ASN 75 -7.768 -0.390 -13.885 546 2HB ASN 75 1HB ASN 75 -6.334 -0.975 -13.040 547 1HD2 ASN 75 1HD2 ASN 75 -7.806 -0.714 -16.298 548 2HD2 ASN 75 2HD2 ASN 75 -6.339 -0.837 -17.142 549 H ILE 76 H ILE 76 -6.637 -3.191 -11.448 550 HA ILE 76 HA ILE 76 -4.246 -4.495 -12.278 551 HB ILE 76 HB ILE 76 -5.895 -4.850 -9.753 552 1HG1 ILE 76 2HG1 ILE 76 -4.985 -2.561 -10.205 553 2HG1 ILE 76 1HG1 ILE 76 -4.287 -3.302 -8.769 554 1HG2 ILE 76 1HG2 ILE 76 -3.244 -5.977 -10.610 555 2HG2 ILE 76 2HG2 ILE 76 -4.549 -6.755 -9.715 556 3HG2 ILE 76 3HG2 ILE 76 -3.508 -5.580 -8.912 557 1HD1 ILE 76 1HD1 ILE 76 -2.960 -2.399 -11.178 558 2HD1 ILE 76 2HD1 ILE 76 -2.643 -4.114 -10.913 559 3HD1 ILE 76 3HD1 ILE 76 -2.249 -2.939 -9.657 560 H PHE 77 H PHE 77 -7.492 -5.807 -11.599 561 HA PHE 77 HA PHE 77 -6.696 -8.566 -12.106 562 1HB PHE 77 2HB PHE 77 -8.709 -7.629 -10.702 563 2HB PHE 77 1HB PHE 77 -9.539 -7.594 -12.256 564 HD1 PHE 77 HD1 PHE 77 -8.381 -9.673 -9.531 565 HD2 PHE 77 HD2 PHE 77 -9.674 -9.731 -13.627 566 HE1 PHE 77 HE1 PHE 77 -8.809 -12.109 -9.364 567 HE2 PHE 77 HE2 PHE 77 -10.100 -12.167 -13.458 568 HZ PHE 77 HZ PHE 77 -9.667 -13.356 -11.326 569 H LEU 78 H LEU 78 -8.322 -6.006 -13.977 570 HA LEU 78 HA LEU 78 -8.953 -7.641 -16.259 571 1HB LEU 78 2HB LEU 78 -8.598 -4.652 -15.928 572 2HB LEU 78 1HB LEU 78 -9.103 -5.395 -17.445 573 HG LEU 78 HG LEU 78 -10.549 -5.960 -14.853 574 1HD1 LEU 78 1HD1 LEU 78 -12.038 -4.148 -16.468 575 2HD1 LEU 78 2HD1 LEU 78 -10.430 -3.457 -16.257 576 3HD1 LEU 78 3HD1 LEU 78 -11.401 -3.878 -14.847 577 1HD2 LEU 78 1HD2 LEU 78 -10.734 -7.231 -17.206 578 2HD2 LEU 78 2HD2 LEU 78 -11.819 -5.886 -17.559 579 3HD2 LEU 78 3HD2 LEU 78 -12.150 -6.951 -16.194 580 H LYS 79 H LYS 79 -6.117 -5.631 -15.463 581 HA LYS 79 HA LYS 79 -4.868 -6.221 -18.065 582 1HB LYS 79 2HB LYS 79 -4.583 -4.208 -16.079 583 2HB LYS 79 1HB LYS 79 -3.034 -5.044 -16.193 584 1HG LYS 79 2HG LYS 79 -3.184 -4.785 -18.703 585 2HG LYS 79 1HG LYS 79 -4.587 -3.748 -18.446 586 1HD LYS 79 2HD LYS 79 -3.267 -1.994 -17.949 587 2HD LYS 79 1HD LYS 79 -2.432 -2.925 -16.707 588 1HE LYS 79 2HE LYS 79 -1.596 -3.855 -19.299 589 2HE LYS 79 1HE LYS 79 -1.422 -2.103 -19.233 590 1HZ LYS 79 1HZ LYS 79 0.210 -4.046 -18.058 591 2HZ LYS 79 2HZ LYS 79 -0.531 -3.179 -16.799 592 3HZ LYS 79 3HZ LYS 79 0.370 -2.360 -17.985 593 H HIS 80 H HIS 80 -4.023 -6.851 -14.629 594 HA HIS 80 HA HIS 80 -2.033 -8.854 -15.525 595 1HB HIS 80 2HB HIS 80 -2.667 -8.095 -12.666 596 2HB HIS 80 1HB HIS 80 -1.182 -8.802 -13.300 597 HD1 HIS 80 HD1 HIS 80 0.038 -7.169 -15.210 598 HD2 HIS 80 HD2 HIS 80 -2.518 -5.348 -12.467 599 HE1 HIS 80 HE1 HIS 80 0.575 -4.694 -15.263 600 H GLY 81 H GLY 81 -4.604 -8.857 -13.003 601 1HA GLY 81 2HA GLY 81 -6.369 -10.695 -13.428 602 2HA GLY 81 1HA GLY 81 -4.979 -11.770 -13.575 603 H SER 82 H SER 82 -5.108 -13.040 -11.763 604 HA SER 82 HA SER 82 -5.409 -11.665 -9.122 605 1HB SER 82 2HB SER 82 -6.136 -13.931 -8.290 606 2HB SER 82 1HB SER 82 -7.225 -13.216 -9.471 607 HG SER 82 HG SER 82 -6.890 -15.259 -10.175 608 H GLU 83 H GLU 83 -3.691 -14.361 -10.751 609 HA GLU 83 HA GLU 83 -1.905 -14.904 -8.574 610 1HB GLU 83 2HB GLU 83 -2.421 -16.170 -10.901 611 2HB GLU 83 1HB GLU 83 -0.928 -15.348 -11.351 612 1HG GLU 83 2HG GLU 83 -1.253 -17.061 -8.868 613 2HG GLU 83 1HG GLU 83 -0.538 -17.625 -10.378 614 H LEU 84 H LEU 84 -0.524 -13.432 -7.753 615 HA LEU 84 HA LEU 84 1.147 -11.834 -9.640 616 1HB LEU 84 2HB LEU 84 -0.399 -10.823 -7.242 617 2HB LEU 84 1HB LEU 84 0.958 -9.935 -7.933 618 HG LEU 84 HG LEU 84 -1.019 -10.848 -9.923 619 1HD1 LEU 84 1HD1 LEU 84 -1.776 -9.047 -7.634 620 2HD1 LEU 84 2HD1 LEU 84 -2.719 -10.329 -8.394 621 3HD1 LEU 84 3HD1 LEU 84 -2.484 -8.794 -9.229 622 1HD2 LEU 84 1HD2 LEU 84 1.004 -9.189 -10.087 623 2HD2 LEU 84 2HD2 LEU 84 -0.122 -8.021 -9.396 624 3HD2 LEU 84 3HD2 LEU 84 -0.490 -8.798 -10.936 625 H ARG 85 H ARG 85 3.162 -11.054 -8.606 626 HA ARG 85 HA ARG 85 4.018 -12.739 -6.278 627 1HB ARG 85 2HB ARG 85 5.161 -12.467 -8.976 628 2HB ARG 85 1HB ARG 85 6.338 -12.191 -7.694 629 1HG ARG 85 2HG ARG 85 6.415 -14.531 -8.090 630 2HG ARG 85 1HG ARG 85 5.443 -14.355 -6.631 631 1HD ARG 85 2HD ARG 85 4.372 -15.934 -8.183 632 2HD ARG 85 1HD ARG 85 3.380 -14.490 -7.996 633 HE ARG 85 HE ARG 85 3.901 -13.880 -10.247 634 1HH1 ARG 85 1HH2 ARG 85 3.564 -16.755 -10.842 635 2HH1 ARG 85 2HH2 ARG 85 5.037 -17.157 -11.658 636 1HH2 ARG 85 2HH1 ARG 85 6.725 -14.331 -10.563 637 2HH2 ARG 85 1HH1 ARG 85 6.830 -15.782 -11.500 638 H LEU 86 H LEU 86 5.382 -11.662 -4.754 639 HA LEU 86 HA LEU 86 5.479 -8.697 -5.110 640 1HB LEU 86 2HB LEU 86 4.288 -9.695 -3.088 641 2HB LEU 86 1HB LEU 86 5.877 -10.206 -2.517 642 HG LEU 86 HG LEU 86 5.970 -7.442 -3.368 643 1HD1 LEU 86 1HD1 LEU 86 4.305 -7.564 -0.938 644 2HD1 LEU 86 2HD1 LEU 86 3.462 -8.028 -2.416 645 3HD1 LEU 86 3HD1 LEU 86 4.232 -6.445 -2.298 646 1HD2 LEU 86 1HD2 LEU 86 7.219 -9.060 -1.547 647 2HD2 LEU 86 2HD2 LEU 86 6.167 -8.114 -0.495 648 3HD2 LEU 86 3HD2 LEU 86 7.327 -7.300 -1.543 649 H ILE 87 H ILE 87 7.407 -7.720 -5.355 650 HA ILE 87 HA ILE 87 9.876 -9.161 -4.505 651 HB ILE 87 HB ILE 87 9.768 -9.480 -6.899 652 1HG1 ILE 87 2HG1 ILE 87 11.597 -7.105 -6.472 653 2HG1 ILE 87 1HG1 ILE 87 11.948 -8.700 -5.809 654 1HG2 ILE 87 1HG2 ILE 87 9.881 -6.787 -7.877 655 2HG2 ILE 87 2HG2 ILE 87 8.454 -6.947 -6.856 656 3HG2 ILE 87 3HG2 ILE 87 8.681 -8.029 -8.229 657 1HD1 ILE 87 1HD1 ILE 87 12.015 -7.766 -8.630 658 2HD1 ILE 87 2HD1 ILE 87 11.402 -9.397 -8.360 659 3HD1 ILE 87 3HD1 ILE 87 13.022 -8.962 -7.817 660 HA PRO 88 HA PRO 88 10.431 -5.191 -2.578 661 1HB PRO 88 2HB PRO 88 12.752 -5.877 -1.284 662 2HB PRO 88 1HB PRO 88 11.140 -6.342 -0.715 663 1HG PRO 88 2HG PRO 88 13.220 -8.011 -2.050 664 2HG PRO 88 1HG PRO 88 11.936 -8.500 -0.932 665 1HD PRO 88 2HD PRO 88 11.893 -8.826 -3.739 666 2HD PRO 88 1HD PRO 88 10.498 -8.982 -2.649 667 H ARG 89 H ARG 89 11.422 -3.387 -3.407 668 HA ARG 89 HA ARG 89 13.419 -3.629 -5.518 669 1HB ARG 89 2HB ARG 89 12.135 -1.269 -4.121 670 2HB ARG 89 1HB ARG 89 13.371 -1.073 -5.364 671 1HG ARG 89 2HG ARG 89 11.985 -2.310 -6.970 672 2HG ARG 89 1HG ARG 89 10.758 -2.571 -5.728 673 1HD ARG 89 2HD ARG 89 11.311 0.217 -5.764 674 2HD ARG 89 1HD ARG 89 11.115 -0.288 -7.442 675 HE ARG 89 HE ARG 89 8.990 -1.464 -6.015 676 1HH1 ARG 89 2HH1 ARG 89 8.694 0.468 -8.328 677 2HH1 ARG 89 1HH1 ARG 89 7.833 1.775 -7.589 678 1HH2 ARG 89 1HH2 ARG 89 8.529 0.740 -4.344 679 2HH2 ARG 89 2HH2 ARG 89 7.737 1.931 -5.322 680 H ASP 90 H ASP 90 13.439 -1.961 -2.333 681 HA ASP 90 HA ASP 90 16.402 -2.395 -2.258 682 1HB ASP 90 2HB ASP 90 14.675 -0.118 -1.294 683 2HB ASP 90 1HB ASP 90 16.253 -0.413 -0.563 684 H ARG 91 H ARG 91 15.847 -4.535 -1.330 685 HA ARG 91 HA ARG 91 15.645 -4.371 1.612 686 1HB ARG 91 2HB ARG 91 13.410 -5.085 -0.028 687 2HB ARG 91 1HB ARG 91 13.936 -6.526 0.841 688 1HG ARG 91 2HG ARG 91 14.020 -4.287 2.637 689 2HG ARG 91 1HG ARG 91 12.443 -4.318 1.848 690 1HD ARG 91 2HD ARG 91 11.871 -5.907 3.351 691 2HD ARG 91 1HD ARG 91 12.919 -6.995 2.442 692 HE ARG 91 HE ARG 91 14.547 -6.799 4.154 693 1HH1 ARG 91 1HH2 ARG 91 12.063 -6.497 5.901 694 2HH1 ARG 91 2HH2 ARG 91 12.497 -5.126 6.866 695 1HH2 ARG 91 2HH1 ARG 91 15.105 -4.163 4.790 696 2HH2 ARG 91 1HH1 ARG 91 14.222 -3.804 6.236 697 H VAL 92 H VAL 92 16.357 -6.368 2.648 698 HA VAL 92 HA VAL 92 18.429 -7.737 1.114 699 HB VAL 92 HB VAL 92 18.841 -8.987 3.232 700 1HG1 VAL 92 1HG1 VAL 92 18.915 -6.590 4.599 701 2HG1 VAL 92 2HG1 VAL 92 18.865 -6.064 2.916 702 3HG1 VAL 92 3HG1 VAL 92 20.143 -7.149 3.463 703 1HG2 VAL 92 1HG2 VAL 92 16.569 -7.306 4.344 704 2HG2 VAL 92 2HG2 VAL 92 17.538 -8.488 5.222 705 3HG2 VAL 92 3HG2 VAL 92 16.431 -9.021 3.958 706 H GLY 93 H GLY 93 15.134 -8.483 2.105 707 1HA GLY 93 2HA GLY 93 13.989 -10.157 0.615 708 2HA GLY 93 1HA GLY 93 15.417 -11.174 0.815 709 H HIS 94 HN HIS 94 12.764 -9.646 2.627 710 HA HIS 94 HA HIS 94 12.753 -12.009 4.439 711 1HB HIS 94 2HB HIS 94 13.883 -9.710 5.291 712 2HB HIS 94 1HB HIS 94 12.200 -9.370 5.696 713 HD1 HIS 94 HD1 HIS 94 15.084 -11.546 6.629 714 HD2 HIS 94 HD2 HIS 94 11.054 -11.175 7.621 715 HE1 HIS 94 HE1 HIS 94 14.733 -12.934 8.715 Start of MODEL 7 1 1H MET 1 1H MET 1 -23.365 -4.497 -3.449 2 2H MET 1 2H MET 1 -24.587 -3.663 -4.284 3 3H MET 1 3H MET 1 -23.996 -3.061 -2.806 4 HA MET 1 HA MET 1 -22.429 -3.320 -5.311 5 1HB MET 1 2HB MET 1 -24.043 -1.120 -4.110 6 2HB MET 1 1HB MET 1 -22.498 -0.680 -4.854 7 1HG MET 1 2HG MET 1 -24.291 -2.542 -6.356 8 2HG MET 1 1HG MET 1 -24.752 -0.840 -6.294 9 1HE MET 1 1HE MET 1 -21.651 -2.916 -8.725 10 2HE MET 1 2HE MET 1 -23.402 -2.948 -8.891 11 3HE MET 1 3HE MET 1 -22.658 -3.550 -7.415 12 H SER 2 H SER 2 -20.457 -3.969 -4.545 13 HA SER 2 HA SER 2 -19.429 -2.987 -1.962 14 1HB SER 2 2HB SER 2 -17.341 -4.300 -2.767 15 2HB SER 2 1HB SER 2 -18.788 -5.223 -2.376 16 HG SER 2 HG SER 2 -17.499 -4.873 -4.764 17 H GLY 3 H GLY 3 -18.342 -2.818 -5.379 18 1HA GLY 3 2HA GLY 3 -16.785 -0.370 -4.650 19 2HA GLY 3 1HA GLY 3 -16.381 -1.440 -5.993 20 H GLY 4 H GLY 4 -17.422 1.546 -5.551 21 1HA GLY 4 2HA GLY 4 -18.245 2.280 -8.003 22 2HA GLY 4 1HA GLY 4 -19.719 1.509 -7.417 23 H THR 5 H THR 5 -20.996 2.591 -5.916 24 HA THR 5 HA THR 5 -20.241 5.426 -5.389 25 HB THR 5 HB THR 5 -22.924 4.007 -5.202 26 HG1 THR 5 HG1 THR 5 -23.148 4.617 -7.190 27 1HG2 THR 5 1HG2 THR 5 -23.046 6.891 -5.317 28 2HG2 THR 5 2HG2 THR 5 -22.061 6.389 -3.943 29 3HG2 THR 5 3HG2 THR 5 -23.717 5.803 -4.101 30 H ALA 6 H ALA 6 -21.905 2.753 -3.662 31 HA ALA 6 HA ALA 6 -20.718 3.793 -1.117 32 1HB ALA 6 1HB ALA 6 -22.593 2.853 0.045 33 2HB ALA 6 2HB ALA 6 -23.114 1.961 -1.381 34 3HB ALA 6 3HB ALA 6 -23.258 3.716 -1.340 35 H ALA 7 H ALA 7 -19.727 2.300 0.293 36 HA ALA 7 HA ALA 7 -18.826 -0.226 -0.984 37 1HB ALA 7 1HB ALA 7 -17.716 0.169 1.639 38 2HB ALA 7 2HB ALA 7 -17.618 1.688 0.753 39 3HB ALA 7 3HB ALA 7 -16.888 0.231 0.083 40 H THR 8 H THR 8 -21.590 0.001 -0.034 41 HA THR 8 HA THR 8 -21.589 -1.769 2.367 42 HB THR 8 HB THR 8 -24.227 -0.969 1.415 43 HG1 THR 8 HG1 THR 8 -23.882 1.051 1.066 44 1HG2 THR 8 1HG2 THR 8 -23.603 -1.835 3.683 45 2HG2 THR 8 2HG2 THR 8 -24.497 -0.315 3.731 46 3HG2 THR 8 3HG2 THR 8 -22.751 -0.317 3.980 47 H THR 9 H THR 9 -22.361 -3.850 2.241 48 HA THR 9 HA THR 9 -23.268 -5.811 1.339 49 HB THR 9 HB THR 9 -24.234 -4.113 -0.981 50 HG1 THR 9 HG1 THR 9 -25.253 -4.533 1.613 51 1HG2 THR 9 1HG2 THR 9 -25.839 -5.855 -1.324 52 2HG2 THR 9 2HG2 THR 9 -25.407 -6.642 0.195 53 3HG2 THR 9 3HG2 THR 9 -24.271 -6.647 -1.157 54 H ALA 10 H ALA 10 -22.243 -7.402 0.220 55 HA ALA 10 HA ALA 10 -19.901 -6.676 -1.388 56 1HB ALA 10 1HB ALA 10 -19.425 -8.495 -0.017 57 2HB ALA 10 2HB ALA 10 -19.829 -9.316 -1.525 58 3HB ALA 10 3HB ALA 10 -21.024 -9.207 -0.232 59 H GLY 11 H GLY 11 -20.349 -6.040 -3.454 60 1HA GLY 11 2HA GLY 11 -22.398 -7.530 -5.021 61 2HA GLY 11 1HA GLY 11 -21.777 -5.930 -5.423 62 H SER 12 H SER 12 -19.439 -5.835 -6.105 63 HA SER 12 HA SER 12 -18.445 -8.407 -7.243 64 1HB SER 12 2HB SER 12 -19.253 -5.944 -8.711 65 2HB SER 12 1HB SER 12 -17.795 -6.761 -9.266 66 HG SER 12 HG SER 12 -20.362 -7.445 -9.619 67 H LYS 13 H LYS 13 -16.530 -8.622 -6.179 68 HA LYS 13 HA LYS 13 -14.698 -6.248 -6.073 69 1HB LYS 13 2HB LYS 13 -14.818 -8.609 -4.168 70 2HB LYS 13 1HB LYS 13 -13.707 -7.247 -4.053 71 1HG LYS 13 2HG LYS 13 -15.398 -5.746 -3.443 72 2HG LYS 13 1HG LYS 13 -16.674 -6.754 -4.126 73 1HD LYS 13 2HD LYS 13 -16.839 -8.051 -2.258 74 2HD LYS 13 1HD LYS 13 -15.102 -8.018 -1.962 75 1HE LYS 13 2HE LYS 13 -16.160 -5.367 -1.607 76 2HE LYS 13 1HE LYS 13 -17.105 -6.501 -0.644 77 1HZ LYS 13 1HZ LYS 13 -14.988 -7.382 0.233 78 2HZ LYS 13 2HZ LYS 13 -15.246 -5.755 0.637 79 3HZ LYS 13 3HZ LYS 13 -14.155 -6.163 -0.602 80 H VAL 14 H VAL 14 -12.373 -6.797 -6.246 81 HA VAL 14 HA VAL 14 -11.948 -9.163 -8.019 82 HB VAL 14 HB VAL 14 -9.863 -7.995 -8.732 83 1HG1 VAL 14 1HG1 VAL 14 -12.126 -7.660 -9.847 84 2HG1 VAL 14 2HG1 VAL 14 -10.954 -6.369 -10.113 85 3HG1 VAL 14 3HG1 VAL 14 -12.255 -6.151 -8.942 86 1HG2 VAL 14 1HG2 VAL 14 -9.456 -5.694 -8.045 87 2HG2 VAL 14 2HG2 VAL 14 -9.551 -6.703 -6.602 88 3HG2 VAL 14 3HG2 VAL 14 -10.919 -5.689 -7.061 89 H THR 15 H THR 15 -10.497 -10.759 -7.433 90 HA THR 15 HA THR 15 -9.394 -10.593 -4.671 91 HB THR 15 HB THR 15 -9.020 -13.080 -5.002 92 HG1 THR 15 HG1 THR 15 -9.414 -13.901 -6.881 93 1HG2 THR 15 1HG2 THR 15 -11.785 -13.218 -5.392 94 2HG2 THR 15 2HG2 THR 15 -11.515 -11.616 -4.704 95 3HG2 THR 15 3HG2 THR 15 -10.952 -13.051 -3.847 96 H PHE 16 H PHE 16 -7.187 -10.934 -4.244 97 HA PHE 16 HA PHE 16 -5.379 -11.069 -6.624 98 1HB PHE 16 2HB PHE 16 -5.129 -9.253 -4.209 99 2HB PHE 16 1HB PHE 16 -3.848 -9.497 -5.394 100 HD1 PHE 16 HD1 PHE 16 -4.696 -9.264 -7.946 101 HD2 PHE 16 HD2 PHE 16 -6.535 -7.426 -4.525 102 HE1 PHE 16 HE1 PHE 16 -5.729 -7.558 -9.417 103 HE2 PHE 16 HE2 PHE 16 -7.567 -5.722 -5.998 104 HZ PHE 16 HZ PHE 16 -7.165 -5.788 -8.442 105 H LYS 17 H LYS 17 -3.474 -12.245 -6.315 106 HA LYS 17 HA LYS 17 -3.107 -13.562 -3.657 107 1HB LYS 17 2HB LYS 17 -4.212 -15.037 -5.467 108 2HB LYS 17 1HB LYS 17 -2.645 -15.001 -6.277 109 1HG LYS 17 2HG LYS 17 -2.392 -15.588 -3.425 110 2HG LYS 17 1HG LYS 17 -3.400 -16.769 -4.259 111 1HD LYS 17 2HD LYS 17 -0.903 -15.973 -5.657 112 2HD LYS 17 1HD LYS 17 -0.698 -16.929 -4.190 113 1HE LYS 17 2HE LYS 17 -2.316 -18.599 -5.092 114 2HE LYS 17 1HE LYS 17 -2.405 -17.667 -6.584 115 1HZ LYS 17 1HZ LYS 17 -0.061 -18.003 -6.929 116 2HZ LYS 17 2HZ LYS 17 -0.818 -19.510 -6.715 117 3HZ LYS 17 3HZ LYS 17 0.084 -18.822 -5.451 118 H ILE 18 H ILE 18 -1.248 -12.542 -3.006 119 HA ILE 18 HA ILE 18 0.956 -12.192 -4.981 120 HB ILE 18 HB ILE 18 0.637 -11.041 -2.188 121 1HG1 ILE 18 2HG1 ILE 18 0.545 -8.946 -3.954 122 2HG1 ILE 18 1HG1 ILE 18 -0.287 -10.201 -4.871 123 1HG2 ILE 18 1HG2 ILE 18 2.765 -10.903 -4.285 124 2HG2 ILE 18 2HG2 ILE 18 2.920 -10.909 -2.528 125 3HG2 ILE 18 3HG2 ILE 18 2.421 -9.439 -3.364 126 1HD1 ILE 18 1HD1 ILE 18 -1.423 -8.605 -2.897 127 2HD1 ILE 18 2HD1 ILE 18 -1.128 -10.135 -2.071 128 3HD1 ILE 18 3HD1 ILE 18 -2.108 -10.100 -3.536 129 H THR 19 H THR 19 2.815 -13.353 -4.824 130 HA THR 19 HA THR 19 3.315 -14.952 -2.347 131 HB THR 19 HB THR 19 3.622 -15.960 -5.197 132 HG1 THR 19 HG1 THR 19 1.635 -16.537 -4.970 133 1HG2 THR 19 1HG2 THR 19 4.075 -17.255 -2.496 134 2HG2 THR 19 2HG2 THR 19 5.287 -16.943 -3.740 135 3HG2 THR 19 3HG2 THR 19 4.025 -18.144 -4.019 136 H LEU 20 H LEU 20 5.508 -15.079 -1.774 137 HA LEU 20 HA LEU 20 7.289 -13.069 -2.730 138 1HB LEU 20 2HB LEU 20 7.294 -15.006 -0.668 139 2HB LEU 20 1HB LEU 20 8.745 -15.311 -1.619 140 HG LEU 20 HG LEU 20 9.242 -13.691 0.146 141 1HD1 LEU 20 1HD1 LEU 20 10.279 -13.449 -2.145 142 2HD1 LEU 20 2HD1 LEU 20 10.229 -11.958 -1.204 143 3HD1 LEU 20 3HD1 LEU 20 9.059 -12.224 -2.497 144 1HD2 LEU 20 1HD2 LEU 20 6.868 -12.253 -1.042 145 2HD2 LEU 20 2HD2 LEU 20 8.083 -11.394 -0.097 146 3HD2 LEU 20 3HD2 LEU 20 7.153 -12.697 0.640 147 H THR 21 H THR 21 8.202 -12.997 -4.709 148 HA THR 21 HA THR 21 8.399 -15.322 -6.428 149 HB THR 21 HB THR 21 8.063 -12.973 -7.253 150 HG1 THR 21 HG1 THR 21 8.739 -14.026 -8.929 151 1HG2 THR 21 1HG2 THR 21 9.728 -11.354 -7.159 152 2HG2 THR 21 2HG2 THR 21 11.016 -12.541 -6.958 153 3HG2 THR 21 3HG2 THR 21 9.951 -12.157 -5.606 154 H SER 22 H SER 22 10.671 -13.611 -4.317 155 HA SER 22 HA SER 22 13.034 -14.956 -5.325 156 1HB SER 22 2HB SER 22 12.427 -12.959 -3.337 157 2HB SER 22 1HB SER 22 13.467 -14.192 -2.630 158 HG SER 22 HG SER 22 14.790 -12.731 -3.635 159 H ASP 23 H ASP 23 11.043 -15.416 -2.370 160 HA ASP 23 HA ASP 23 11.530 -18.306 -2.490 161 1HB ASP 23 2HB ASP 23 13.547 -17.291 -1.306 162 2HB ASP 23 1HB ASP 23 12.440 -16.812 -0.018 163 HA PRO 24 HA PRO 24 7.444 -17.497 -0.753 164 1HB PRO 24 2HB PRO 24 6.386 -19.862 -1.681 165 2HB PRO 24 1HB PRO 24 6.510 -18.391 -2.661 166 1HG PRO 24 2HG PRO 24 8.151 -20.876 -2.791 167 2HG PRO 24 1HG PRO 24 7.802 -19.694 -4.063 168 1HD PRO 24 2HD PRO 24 10.209 -19.878 -2.585 169 2HD PRO 24 1HD PRO 24 9.718 -18.519 -3.618 170 H LYS 25 H LYS 25 6.664 -18.166 1.247 171 HA LYS 25 HA LYS 25 8.190 -20.239 2.694 172 1HB LYS 25 2HB LYS 25 6.255 -18.074 3.444 173 2HB LYS 25 1HB LYS 25 6.464 -19.435 4.546 174 1HG LYS 25 2HG LYS 25 8.341 -18.469 5.322 175 2HG LYS 25 1HG LYS 25 9.064 -18.674 3.726 176 1HD LYS 25 2HD LYS 25 7.235 -16.433 3.698 177 2HD LYS 25 1HD LYS 25 8.412 -16.235 4.995 178 1HE LYS 25 2HE LYS 25 10.097 -15.853 3.539 179 2HE LYS 25 1HE LYS 25 9.637 -17.225 2.534 180 1HZ LYS 25 1HZ LYS 25 7.875 -15.864 1.568 181 2HZ LYS 25 2HZ LYS 25 9.409 -15.177 1.316 182 3HZ LYS 25 3HZ LYS 25 8.374 -14.539 2.503 183 H LEU 26 H LEU 26 4.688 -19.527 2.430 184 HA LEU 26 HA LEU 26 3.922 -22.119 1.502 185 1HB LEU 26 2HB LEU 26 4.540 -22.019 4.300 186 2HB LEU 26 1HB LEU 26 2.797 -22.222 4.129 187 HG LEU 26 HG LEU 26 4.541 -23.886 2.368 188 1HD1 LEU 26 1HD1 LEU 26 4.814 -25.570 4.163 189 2HD1 LEU 26 2HD1 LEU 26 4.112 -24.440 5.322 190 3HD1 LEU 26 3HD1 LEU 26 5.657 -24.071 4.556 191 1HD2 LEU 26 1HD2 LEU 26 1.876 -24.073 3.755 192 2HD2 LEU 26 2HD2 LEU 26 2.680 -25.545 3.209 193 3HD2 LEU 26 3HD2 LEU 26 2.256 -24.289 2.046 194 HA PRO 27 HA PRO 27 0.040 -19.697 2.884 195 1HB PRO 27 2HB PRO 27 0.361 -17.558 4.585 196 2HB PRO 27 1HB PRO 27 0.085 -19.218 5.141 197 1HG PRO 27 2HG PRO 27 2.602 -17.623 5.165 198 2HG PRO 27 1HG PRO 27 2.111 -18.962 6.216 199 1HD PRO 27 2HD PRO 27 3.916 -19.133 4.047 200 2HD PRO 27 1HD PRO 27 3.167 -20.502 4.894 201 H PHE 28 H PHE 28 -0.609 -18.470 1.156 202 HA PHE 28 HA PHE 28 1.205 -16.381 0.095 203 1HB PHE 28 2HB PHE 28 -1.405 -17.407 -1.063 204 2HB PHE 28 1HB PHE 28 -0.198 -16.426 -1.892 205 HD1 PHE 28 HD1 PHE 28 -1.398 -19.648 -1.676 206 HD2 PHE 28 HD2 PHE 28 2.331 -17.514 -1.535 207 HE1 PHE 28 HE1 PHE 28 -0.193 -21.705 -2.355 208 HE2 PHE 28 HE2 PHE 28 3.532 -19.574 -2.214 209 HZ PHE 28 HZ PHE 28 2.270 -21.666 -2.624 210 H LYS 29 H LYS 29 0.479 -14.213 -0.289 211 HA LYS 29 HA LYS 29 -1.434 -13.253 1.723 212 1HB LYS 29 2HB LYS 29 0.728 -12.115 0.121 213 2HB LYS 29 1HB LYS 29 -0.699 -11.079 0.132 214 1HG LYS 29 2HG LYS 29 0.445 -10.373 2.052 215 2HG LYS 29 1HG LYS 29 -0.708 -11.535 2.705 216 1HD LYS 29 2HD LYS 29 1.738 -12.848 1.827 217 2HD LYS 29 1HD LYS 29 2.071 -11.601 3.028 218 1HE LYS 29 2HE LYS 29 0.833 -12.660 4.677 219 2HE LYS 29 1HE LYS 29 -0.221 -13.464 3.515 220 1HZ LYS 29 1HZ LYS 29 1.404 -15.039 3.018 221 2HZ LYS 29 2HZ LYS 29 1.490 -14.882 4.708 222 3HZ LYS 29 3HZ LYS 29 2.652 -14.130 3.720 223 H VAL 30 H VAL 30 -3.518 -13.777 1.092 224 HA VAL 30 HA VAL 30 -4.382 -13.073 -1.669 225 HB VAL 30 HB VAL 30 -5.890 -14.577 0.497 226 1HG1 VAL 30 1HG1 VAL 30 -6.993 -13.332 -1.617 227 2HG1 VAL 30 2HG1 VAL 30 -7.590 -14.882 -1.026 228 3HG1 VAL 30 3HG1 VAL 30 -6.500 -14.828 -2.412 229 1HG2 VAL 30 1HG2 VAL 30 -4.401 -15.628 -1.933 230 2HG2 VAL 30 2HG2 VAL 30 -5.302 -16.598 -0.766 231 3HG2 VAL 30 3HG2 VAL 30 -3.834 -15.759 -0.267 232 H LEU 31 H LEU 31 -5.301 -11.101 -1.938 233 HA LEU 31 HA LEU 31 -6.717 -9.870 0.397 234 1HB LEU 31 2HB LEU 31 -4.760 -8.768 -1.557 235 2HB LEU 31 1HB LEU 31 -6.101 -7.715 -1.105 236 HG LEU 31 HG LEU 31 -5.080 -9.004 1.257 237 1HD1 LEU 31 1HD1 LEU 31 -3.034 -7.512 -0.414 238 2HD1 LEU 31 2HD1 LEU 31 -2.977 -9.225 0.003 239 3HD1 LEU 31 3HD1 LEU 31 -2.813 -8.005 1.265 240 1HD2 LEU 31 1HD2 LEU 31 -6.331 -6.764 0.859 241 2HD2 LEU 31 2HD2 LEU 31 -4.737 -6.104 0.490 242 3HD2 LEU 31 3HD2 LEU 31 -5.061 -6.788 2.083 243 H SER 32 H SER 32 -8.861 -9.659 0.068 244 HA SER 32 HA SER 32 -9.887 -9.595 -2.738 245 1HB SER 32 2HB SER 32 -10.628 -11.281 -0.746 246 2HB SER 32 1HB SER 32 -11.770 -9.969 -0.466 247 HG SER 32 HG SER 32 -12.421 -11.647 -2.013 248 H VAL 33 H VAL 33 -10.069 -7.472 -3.333 249 HA VAL 33 HA VAL 33 -11.628 -5.667 -1.533 250 HB VAL 33 HB VAL 33 -10.121 -3.782 -2.316 251 1HG1 VAL 33 1HG1 VAL 33 -9.097 -6.052 -0.610 252 2HG1 VAL 33 2HG1 VAL 33 -9.774 -4.508 -0.092 253 3HG1 VAL 33 3HG1 VAL 33 -8.169 -4.567 -0.820 254 1HG2 VAL 33 1HG2 VAL 33 -9.208 -5.197 -4.254 255 2HG2 VAL 33 2HG2 VAL 33 -8.206 -6.008 -3.052 256 3HG2 VAL 33 3HG2 VAL 33 -8.019 -4.278 -3.333 257 HA PRO 34 HA PRO 34 -13.898 -4.713 -5.178 258 1HB PRO 34 2HB PRO 34 -14.757 -2.181 -4.527 259 2HB PRO 34 1HB PRO 34 -15.432 -3.659 -3.820 260 1HG PRO 34 2HG PRO 34 -13.556 -1.678 -2.603 261 2HG PRO 34 1HG PRO 34 -14.748 -2.725 -1.816 262 1HD PRO 34 2HD PRO 34 -11.975 -3.195 -1.901 263 2HD PRO 34 1HD PRO 34 -13.212 -4.401 -1.494 264 H GLU 35 H GLU 35 -14.000 -3.124 -7.008 265 HA GLU 35 HA GLU 35 -11.459 -2.411 -8.033 266 1HB GLU 35 2HB GLU 35 -13.438 -2.694 -9.461 267 2HB GLU 35 1HB GLU 35 -14.182 -1.270 -8.738 268 1HG GLU 35 2HG GLU 35 -11.500 -0.679 -9.709 269 2HG GLU 35 1HG GLU 35 -12.523 -1.315 -10.996 270 H SER 36 H SER 36 -13.742 -0.517 -6.090 271 HA SER 36 HA SER 36 -12.688 2.076 -6.428 272 1HB SER 36 2HB SER 36 -14.261 0.678 -4.363 273 2HB SER 36 1HB SER 36 -13.328 2.042 -3.756 274 HG SER 36 HG SER 36 -15.278 2.818 -4.492 275 H THR 37 H THR 37 -11.583 -0.509 -4.212 276 HA THR 37 HA THR 37 -9.528 1.081 -2.961 277 HB THR 37 HB THR 37 -9.853 -1.922 -3.245 278 HG1 THR 37 HG1 THR 37 -10.891 -1.757 -1.397 279 1HG2 THR 37 1HG2 THR 37 -7.997 -0.431 -1.371 280 2HG2 THR 37 2HG2 THR 37 -7.462 -1.176 -2.878 281 3HG2 THR 37 3HG2 THR 37 -8.123 -2.177 -1.585 282 HA PRO 38 HA PRO 38 -6.774 1.028 -6.462 283 1HB PRO 38 2HB PRO 38 -4.852 2.598 -5.282 284 2HB PRO 38 1HB PRO 38 -6.346 3.237 -5.989 285 1HG PRO 38 2HG PRO 38 -5.622 2.912 -3.117 286 2HG PRO 38 1HG PRO 38 -6.751 4.051 -3.868 287 1HD PRO 38 2HD PRO 38 -7.447 1.672 -2.491 288 2HD PRO 38 1HD PRO 38 -8.529 2.657 -3.498 289 H PHE 39 H PHE 39 -4.478 0.386 -6.873 290 HA PHE 39 HA PHE 39 -3.741 -2.003 -5.447 291 1HB PHE 39 2HB PHE 39 -3.177 -1.174 -7.904 292 2HB PHE 39 1HB PHE 39 -1.741 -0.524 -7.117 293 HD1 PHE 39 HD1 PHE 39 -3.780 -3.677 -6.835 294 HD2 PHE 39 HD2 PHE 39 0.115 -1.915 -7.261 295 HE1 PHE 39 HE1 PHE 39 -2.757 -5.936 -6.836 296 HE2 PHE 39 HE2 PHE 39 1.136 -4.173 -7.262 297 HZ PHE 39 HZ PHE 39 -0.300 -6.183 -7.050 298 H THR 40 H THR 40 -3.117 1.341 -4.826 299 HA THR 40 HA THR 40 -0.588 1.183 -3.503 300 HB THR 40 HB THR 40 -1.408 3.223 -2.245 301 HG1 THR 40 HG1 THR 40 -3.463 3.541 -2.194 302 1HG2 THR 40 1HG2 THR 40 -0.295 3.724 -4.249 303 2HG2 THR 40 2HG2 THR 40 -1.843 4.549 -4.437 304 3HG2 THR 40 3HG2 THR 40 -1.563 3.004 -5.242 305 H ALA 41 H ALA 41 -3.923 0.770 -2.301 306 HA ALA 41 HA ALA 41 -3.069 0.138 0.415 307 1HB ALA 41 1HB ALA 41 -5.737 -0.353 -0.946 308 2HB ALA 41 2HB ALA 41 -5.301 1.119 -0.080 309 3HB ALA 41 3HB ALA 41 -5.433 -0.409 0.791 310 H VAL 42 H VAL 42 -4.050 -1.715 -2.468 311 HA VAL 42 HA VAL 42 -4.125 -4.302 -1.245 312 HB VAL 42 HB VAL 42 -3.368 -3.552 -4.092 313 1HG1 VAL 42 1HG1 VAL 42 -3.915 -6.157 -2.706 314 2HG1 VAL 42 2HG1 VAL 42 -2.714 -5.781 -3.941 315 3HG1 VAL 42 3HG1 VAL 42 -4.410 -5.963 -4.386 316 1HG2 VAL 42 1HG2 VAL 42 -6.024 -4.349 -2.851 317 2HG2 VAL 42 2HG2 VAL 42 -5.744 -4.073 -4.571 318 3HG2 VAL 42 3HG2 VAL 42 -5.600 -2.737 -3.430 319 H LEU 43 H LEU 43 -1.452 -2.546 -2.837 320 HA LEU 43 HA LEU 43 0.523 -4.612 -2.437 321 1HB LEU 43 2HB LEU 43 0.610 -2.623 -4.069 322 2HB LEU 43 1HB LEU 43 1.110 -1.656 -2.683 323 HG LEU 43 HG LEU 43 2.598 -4.171 -2.901 324 1HD1 LEU 43 1HD1 LEU 43 2.031 -3.040 -5.352 325 2HD1 LEU 43 2HD1 LEU 43 3.445 -4.032 -4.999 326 3HD1 LEU 43 3HD1 LEU 43 3.564 -2.274 -4.930 327 1HD2 LEU 43 1HD2 LEU 43 3.224 -2.302 -1.419 328 2HD2 LEU 43 2HD2 LEU 43 3.398 -1.241 -2.818 329 3HD2 LEU 43 3HD2 LEU 43 4.498 -2.602 -2.602 330 H LYS 44 H LYS 44 -0.504 -1.798 -0.528 331 HA LYS 44 HA LYS 44 1.596 -1.813 1.399 332 1HB LYS 44 2HB LYS 44 -1.055 -0.613 1.125 333 2HB LYS 44 1HB LYS 44 -0.691 -1.039 2.797 334 1HG LYS 44 2HG LYS 44 1.188 0.355 2.884 335 2HG LYS 44 1HG LYS 44 1.372 0.373 1.130 336 1HD LYS 44 2HD LYS 44 -1.172 1.441 1.549 337 2HD LYS 44 1HD LYS 44 -0.194 2.145 2.837 338 1HE LYS 44 2HE LYS 44 1.221 3.237 1.358 339 2HE LYS 44 1HE LYS 44 0.943 2.068 0.068 340 1HZ LYS 44 1HZ LYS 44 -0.251 3.872 -0.652 341 2HZ LYS 44 2HZ LYS 44 -0.730 4.332 0.913 342 3HZ LYS 44 3HZ LYS 44 -1.455 2.993 0.158 343 H PHE 45 H PHE 45 -1.529 -3.544 1.352 344 HA PHE 45 HA PHE 45 -1.117 -4.819 3.919 345 1HB PHE 45 2HB PHE 45 -3.077 -5.018 1.693 346 2HB PHE 45 1HB PHE 45 -2.902 -6.452 2.704 347 HD1 PHE 45 HD1 PHE 45 -3.528 -2.773 2.826 348 HD2 PHE 45 HD2 PHE 45 -3.839 -6.534 4.882 349 HE1 PHE 45 HE1 PHE 45 -4.889 -1.696 4.595 350 HE2 PHE 45 HE2 PHE 45 -5.199 -5.454 6.650 351 HZ PHE 45 HZ PHE 45 -5.724 -3.036 6.506 352 H ALA 46 H ALA 46 -0.659 -5.892 0.534 353 HA ALA 46 HA ALA 46 0.156 -8.562 1.117 354 1HB ALA 46 1HB ALA 46 0.485 -8.713 -1.126 355 2HB ALA 46 2HB ALA 46 1.532 -7.294 -1.161 356 3HB ALA 46 3HB ALA 46 -0.220 -7.098 -1.179 357 H ALA 47 H ALA 47 2.119 -5.600 0.695 358 HA ALA 47 HA ALA 47 4.652 -6.888 1.183 359 1HB ALA 47 1HB ALA 47 4.268 -4.627 0.068 360 2HB ALA 47 2HB ALA 47 5.566 -4.673 1.260 361 3HB ALA 47 3HB ALA 47 4.004 -3.974 1.684 362 H GLU 48 H GLU 48 2.430 -5.047 3.290 363 HA GLU 48 HA GLU 48 4.040 -5.152 5.654 364 1HB GLU 48 2HB GLU 48 2.109 -3.629 5.382 365 2HB GLU 48 1HB GLU 48 1.017 -5.013 5.405 366 1HG GLU 48 2HG GLU 48 2.839 -5.036 7.685 367 2HG GLU 48 1HG GLU 48 1.879 -3.558 7.629 368 H GLU 49 H GLU 49 1.435 -7.315 4.491 369 HA GLU 49 HA GLU 49 1.509 -9.081 6.761 370 1HB GLU 49 2HB GLU 49 0.303 -9.116 4.048 371 2HB GLU 49 1HB GLU 49 0.565 -10.689 4.798 372 1HG GLU 49 2HG GLU 49 -1.437 -10.290 5.803 373 2HG GLU 49 1HG GLU 49 -0.484 -9.287 6.897 374 H PHE 50 H PHE 50 3.417 -8.938 3.787 375 HA PHE 50 HA PHE 50 4.534 -11.614 4.164 376 1HB PHE 50 2HB PHE 50 4.723 -9.464 2.158 377 2HB PHE 50 1HB PHE 50 6.240 -10.320 2.423 378 HD1 PHE 50 HD1 PHE 50 5.652 -13.040 2.886 379 HD2 PHE 50 HD2 PHE 50 3.551 -10.295 0.331 380 HE1 PHE 50 HE1 PHE 50 4.818 -14.939 1.529 381 HE2 PHE 50 HE2 PHE 50 2.717 -12.197 -1.022 382 HZ PHE 50 HZ PHE 50 3.351 -14.518 -0.425 383 H LYS 51 H LYS 51 6.475 -8.664 3.732 384 HA LYS 51 HA LYS 51 7.564 -8.429 6.336 385 1HB LYS 51 2HB LYS 51 9.800 -9.595 5.920 386 2HB LYS 51 1HB LYS 51 8.426 -10.669 6.184 387 1HG LYS 51 2HG LYS 51 8.230 -11.168 3.866 388 2HG LYS 51 1HG LYS 51 9.262 -9.815 3.408 389 1HD LYS 51 2HD LYS 51 11.134 -10.981 4.698 390 2HD LYS 51 1HD LYS 51 10.079 -12.395 4.754 391 1HE LYS 51 2HE LYS 51 9.920 -11.699 2.103 392 2HE LYS 51 1HE LYS 51 11.586 -11.267 2.484 393 1HZ LYS 51 1HZ LYS 51 10.477 -13.866 3.322 394 2HZ LYS 51 2HZ LYS 51 12.101 -13.424 3.082 395 3HZ LYS 51 3HZ LYS 51 11.072 -13.651 1.749 396 H VAL 52 H VAL 52 6.955 -6.759 4.000 397 HA VAL 52 HA VAL 52 9.557 -5.349 3.829 398 HB VAL 52 HB VAL 52 9.082 -4.987 1.315 399 1HG1 VAL 52 1HG1 VAL 52 10.902 -6.416 2.340 400 2HG1 VAL 52 2HG1 VAL 52 10.379 -6.924 0.735 401 3HG1 VAL 52 3HG1 VAL 52 9.821 -7.799 2.161 402 1HG2 VAL 52 1HG2 VAL 52 7.427 -7.483 1.825 403 2HG2 VAL 52 2HG2 VAL 52 7.848 -6.844 0.235 404 3HG2 VAL 52 3HG2 VAL 52 6.800 -5.918 1.309 405 HA PRO 53 HA PRO 53 7.005 -1.790 4.177 406 1HB PRO 53 2HB PRO 53 8.750 0.072 3.151 407 2HB PRO 53 1HB PRO 53 8.922 -0.650 4.760 408 1HG PRO 53 2HG PRO 53 10.484 -1.198 2.280 409 2HG PRO 53 1HG PRO 53 10.971 -1.374 3.975 410 1HD PRO 53 2HD PRO 53 10.187 -3.474 2.248 411 2HD PRO 53 1HD PRO 53 10.353 -3.580 4.014 412 H ALA 54 H ALA 54 5.385 -0.967 2.895 413 HA ALA 54 HA ALA 54 5.079 -1.604 0.150 414 1HB ALA 54 1HB ALA 54 3.691 0.853 0.821 415 2HB ALA 54 2HB ALA 54 3.544 -0.323 2.127 416 3HB ALA 54 3HB ALA 54 3.027 -0.748 0.496 417 H ALA 55 H ALA 55 6.537 1.240 1.684 418 HA ALA 55 HA ALA 55 6.710 2.920 -0.612 419 1HB ALA 55 1HB ALA 55 7.171 3.809 1.597 420 2HB ALA 55 2HB ALA 55 8.624 3.992 0.614 421 3HB ALA 55 3HB ALA 55 8.524 2.696 1.807 422 H THR 56 H THR 56 8.943 0.414 0.614 423 HA THR 56 HA THR 56 10.501 0.678 -1.926 424 HB THR 56 HB THR 56 11.447 -0.777 0.549 425 HG1 THR 56 HG1 THR 56 11.555 1.086 1.483 426 1HG2 THR 56 1HG2 THR 56 13.521 -0.748 -0.461 427 2HG2 THR 56 2HG2 THR 56 13.191 0.746 -1.335 428 3HG2 THR 56 3HG2 THR 56 12.503 -0.776 -1.900 429 H SER 57 H SER 57 8.045 -0.724 -1.989 430 HA SER 57 HA SER 57 9.033 -3.462 -2.591 431 1HB SER 57 2HB SER 57 7.933 -3.415 -0.300 432 2HB SER 57 1HB SER 57 6.429 -3.006 -1.118 433 HG SER 57 HG SER 57 6.314 -5.128 -1.212 434 H ALA 58 H ALA 58 7.726 -4.577 -4.150 435 HA ALA 58 HA ALA 58 5.560 -3.055 -5.481 436 1HB ALA 58 1HB ALA 58 7.809 -4.163 -7.155 437 2HB ALA 58 2HB ALA 58 7.894 -2.527 -6.504 438 3HB ALA 58 3HB ALA 58 6.586 -2.972 -7.600 439 H ILE 59 H ILE 59 4.603 -4.493 -7.305 440 HA ILE 59 HA ILE 59 4.836 -7.381 -6.554 441 HB ILE 59 HB ILE 59 2.379 -5.664 -6.877 442 1HG1 ILE 59 2HG1 ILE 59 2.851 -7.930 -4.944 443 2HG1 ILE 59 1HG1 ILE 59 3.559 -6.342 -4.651 444 1HG2 ILE 59 1HG2 ILE 59 1.815 -8.525 -6.691 445 2HG2 ILE 59 2HG2 ILE 59 2.634 -8.115 -8.195 446 3HG2 ILE 59 3HG2 ILE 59 1.122 -7.316 -7.772 447 1HD1 ILE 59 1HD1 ILE 59 1.040 -5.579 -5.222 448 2HD1 ILE 59 2HD1 ILE 59 1.554 -5.997 -3.589 449 3HD1 ILE 59 3HD1 ILE 59 0.706 -7.186 -4.577 450 H ILE 60 H ILE 60 5.437 -8.570 -8.292 451 HA ILE 60 HA ILE 60 5.005 -7.437 -11.010 452 HB ILE 60 HB ILE 60 6.649 -9.120 -11.764 453 1HG1 ILE 60 2HG1 ILE 60 7.480 -9.888 -9.047 454 2HG1 ILE 60 1HG1 ILE 60 5.895 -10.511 -9.499 455 1HG2 ILE 60 1HG2 ILE 60 8.200 -8.138 -9.516 456 2HG2 ILE 60 2HG2 ILE 60 7.135 -6.879 -10.143 457 3HG2 ILE 60 3HG2 ILE 60 8.286 -7.676 -11.216 458 1HD1 ILE 60 1HD1 ILE 60 7.635 -10.822 -11.746 459 2HD1 ILE 60 2HD1 ILE 60 6.867 -12.080 -10.780 460 3HD1 ILE 60 3HD1 ILE 60 8.455 -11.465 -10.323 461 H THR 61 H THR 61 4.628 -9.340 -12.714 462 HA THR 61 HA THR 61 2.287 -10.890 -11.696 463 HB THR 61 HB THR 61 1.600 -11.032 -14.075 464 HG1 THR 61 HG1 THR 61 2.886 -10.384 -15.612 465 1HG2 THR 61 1HG2 THR 61 0.681 -9.192 -12.868 466 2HG2 THR 61 2HG2 THR 61 1.243 -8.530 -14.403 467 3HG2 THR 61 3HG2 THR 61 2.200 -8.298 -12.940 468 H ASN 62 H ASN 62 1.960 -13.026 -12.965 469 HA ASN 62 HA ASN 62 4.229 -14.735 -12.491 470 1HB ASN 62 2HB ASN 62 2.840 -16.513 -13.466 471 2HB ASN 62 1HB ASN 62 1.886 -15.535 -12.353 472 1HD2 ASN 62 1HD2 ASN 62 2.172 -16.572 -15.670 473 2HD2 ASN 62 2HD2 ASN 62 0.854 -15.687 -16.273 474 H ASP 63 H ASP 63 3.138 -12.945 -15.293 475 HA ASP 63 HA ASP 63 4.730 -14.480 -17.211 476 1HB ASP 63 2HB ASP 63 3.458 -11.740 -17.510 477 2HB ASP 63 1HB ASP 63 4.053 -12.762 -18.818 478 H GLY 64 H GLY 64 4.967 -11.220 -15.735 479 1HA GLY 64 2HA GLY 64 7.483 -10.930 -14.958 480 2HA GLY 64 1HA GLY 64 7.775 -11.023 -16.694 481 H VAL 65 H VAL 65 5.296 -9.364 -14.704 482 HA VAL 65 HA VAL 65 6.098 -6.800 -16.025 483 HB VAL 65 HB VAL 65 3.275 -7.677 -15.318 484 1HG1 VAL 65 1HG1 VAL 65 3.446 -5.293 -15.108 485 2HG1 VAL 65 2HG1 VAL 65 2.717 -5.601 -16.685 486 3HG1 VAL 65 3HG1 VAL 65 4.424 -5.171 -16.572 487 1HG2 VAL 65 1HG2 VAL 65 4.173 -8.882 -17.277 488 2HG2 VAL 65 2HG2 VAL 65 4.640 -7.347 -18.011 489 3HG2 VAL 65 3HG2 VAL 65 2.934 -7.728 -17.770 490 H GLY 66 H GLY 66 6.881 -5.460 -14.482 491 1HA GLY 66 2HA GLY 66 6.431 -5.902 -11.653 492 2HA GLY 66 1HA GLY 66 7.332 -4.562 -12.359 493 H VAL 67 H VAL 67 4.136 -5.695 -11.451 494 HA VAL 67 HA VAL 67 2.718 -3.294 -12.252 495 HB VAL 67 HB VAL 67 1.906 -5.318 -10.139 496 1HG1 VAL 67 1HG1 VAL 67 0.680 -3.060 -10.403 497 2HG1 VAL 67 2HG1 VAL 67 -0.300 -4.522 -10.459 498 3HG1 VAL 67 3HG1 VAL 67 0.127 -3.690 -11.954 499 1HG2 VAL 67 1HG2 VAL 67 0.641 -6.373 -12.049 500 2HG2 VAL 67 2HG2 VAL 67 2.393 -6.521 -12.186 501 3HG2 VAL 67 3HG2 VAL 67 1.532 -5.321 -13.150 502 H ASN 68 H ASN 68 2.647 -1.373 -11.201 503 HA ASN 68 HA ASN 68 3.853 -1.213 -8.478 504 1HB ASN 68 2HB ASN 68 3.591 0.698 -10.776 505 2HB ASN 68 1HB ASN 68 3.713 1.350 -9.142 506 1HD2 ASN 68 1HD2 ASN 68 5.625 0.589 -11.741 507 2HD2 ASN 68 2HD2 ASN 68 7.071 0.215 -10.935 508 HA PRO 69 HA PRO 69 0.019 -0.061 -6.655 509 1HB PRO 69 2HB PRO 69 0.892 1.712 -4.736 510 2HB PRO 69 1HB PRO 69 1.117 -0.042 -4.625 511 1HG PRO 69 2HG PRO 69 3.121 2.069 -5.263 512 2HG PRO 69 1HG PRO 69 3.367 0.466 -4.550 513 1HD PRO 69 2HD PRO 69 3.856 1.182 -7.248 514 2HD PRO 69 1HD PRO 69 3.798 -0.470 -6.597 515 H ALA 70 H ALA 70 -0.239 1.143 -8.901 516 HA ALA 70 HA ALA 70 -0.787 4.027 -8.322 517 1HB ALA 70 1HB ALA 70 0.317 2.882 -10.906 518 2HB ALA 70 2HB ALA 70 1.219 3.858 -9.745 519 3HB ALA 70 3HB ALA 70 -0.125 4.569 -10.640 520 H GLN 71 H GLN 71 -1.610 1.182 -10.317 521 HA GLN 71 HA GLN 71 -4.051 2.437 -11.348 522 1HB GLN 71 2HB GLN 71 -2.887 -0.350 -11.556 523 2HB GLN 71 1HB GLN 71 -4.442 0.086 -12.262 524 1HG GLN 71 2HG GLN 71 -3.486 1.282 -13.946 525 2HG GLN 71 1HG GLN 71 -2.242 1.954 -12.891 526 1HE2 GLN 71 1HE2 GLN 71 -0.346 0.516 -12.396 527 2HE2 GLN 71 2HE2 GLN 71 0.079 -0.706 -13.494 528 HA PRO 72 HA PRO 72 -6.827 1.009 -8.241 529 1HB PRO 72 2HB PRO 72 -9.081 0.584 -9.758 530 2HB PRO 72 1HB PRO 72 -8.479 2.194 -9.327 531 1HG PRO 72 2HG PRO 72 -8.334 0.775 -11.945 532 2HG PRO 72 1HG PRO 72 -8.347 2.514 -11.612 533 1HD PRO 72 2HD PRO 72 -6.068 0.970 -12.256 534 2HD PRO 72 1HD PRO 72 -6.058 2.618 -11.595 535 H ALA 73 H ALA 73 -7.996 -0.909 -7.472 536 HA ALA 73 HA ALA 73 -6.816 -3.405 -8.094 537 1HB ALA 73 1HB ALA 73 -8.618 -4.408 -6.776 538 2HB ALA 73 2HB ALA 73 -9.570 -2.930 -6.916 539 3HB ALA 73 3HB ALA 73 -8.063 -2.926 -5.998 540 H GLY 74 H GLY 74 -9.809 -1.937 -9.356 541 1HA GLY 74 2HA GLY 74 -10.802 -4.177 -10.789 542 2HA GLY 74 1HA GLY 74 -11.112 -2.498 -11.221 543 H ASN 75 H ASN 75 -8.546 -1.604 -11.847 544 HA ASN 75 HA ASN 75 -8.186 -2.706 -14.504 545 1HB ASN 75 2HB ASN 75 -7.697 -0.294 -13.612 546 2HB ASN 75 1HB ASN 75 -6.139 -0.971 -13.136 547 1HD2 ASN 75 1HD2 ASN 75 -8.229 -0.328 -15.959 548 2HD2 ASN 75 2HD2 ASN 75 -6.991 -0.465 -17.111 549 H ILE 76 H ILE 76 -6.398 -3.035 -11.432 550 HA ILE 76 HA ILE 76 -4.140 -4.443 -12.482 551 HB ILE 76 HB ILE 76 -5.435 -4.638 -9.742 552 1HG1 ILE 76 2HG1 ILE 76 -4.653 -2.359 -10.444 553 2HG1 ILE 76 1HG1 ILE 76 -3.760 -3.001 -9.068 554 1HG2 ILE 76 1HG2 ILE 76 -2.762 -5.173 -9.413 555 2HG2 ILE 76 2HG2 ILE 76 -3.091 -5.962 -10.954 556 3HG2 ILE 76 3HG2 ILE 76 -4.018 -6.404 -9.521 557 1HD1 ILE 76 1HD1 ILE 76 -2.378 -3.914 -11.348 558 2HD1 ILE 76 2HD1 ILE 76 -1.864 -2.650 -10.232 559 3HD1 ILE 76 3HD1 ILE 76 -2.775 -2.227 -11.680 560 H PHE 77 H PHE 77 -7.260 -5.634 -11.208 561 HA PHE 77 HA PHE 77 -6.620 -8.431 -11.675 562 1HB PHE 77 2HB PHE 77 -8.331 -7.568 -10.016 563 2HB PHE 77 1HB PHE 77 -9.368 -7.181 -11.387 564 HD1 PHE 77 HD1 PHE 77 -10.472 -8.917 -12.664 565 HD2 PHE 77 HD2 PHE 77 -7.750 -9.920 -9.496 566 HE1 PHE 77 HE1 PHE 77 -11.255 -11.268 -12.736 567 HE2 PHE 77 HE2 PHE 77 -8.535 -12.271 -9.568 568 HZ PHE 77 HZ PHE 77 -10.286 -12.945 -11.189 569 H LEU 78 H LEU 78 -8.388 -5.923 -13.469 570 HA LEU 78 HA LEU 78 -9.365 -7.637 -15.561 571 1HB LEU 78 2HB LEU 78 -10.480 -5.580 -15.381 572 2HB LEU 78 1HB LEU 78 -8.982 -4.668 -15.239 573 HG LEU 78 HG LEU 78 -8.474 -5.263 -17.632 574 1HD1 LEU 78 1HD1 LEU 78 -9.696 -7.084 -18.315 575 2HD1 LEU 78 2HD1 LEU 78 -10.859 -5.844 -18.782 576 3HD1 LEU 78 3HD1 LEU 78 -11.051 -6.700 -17.252 577 1HD2 LEU 78 1HD2 LEU 78 -10.243 -3.716 -18.570 578 2HD2 LEU 78 2HD2 LEU 78 -9.401 -3.086 -17.154 579 3HD2 LEU 78 3HD2 LEU 78 -11.024 -3.755 -16.990 580 H LYS 79 H LYS 79 -6.383 -5.699 -15.243 581 HA LYS 79 HA LYS 79 -5.475 -6.462 -17.934 582 1HB LYS 79 2HB LYS 79 -4.738 -4.496 -15.942 583 2HB LYS 79 1HB LYS 79 -3.312 -5.377 -16.481 584 1HG LYS 79 2HG LYS 79 -5.032 -4.736 -18.729 585 2HG LYS 79 1HG LYS 79 -4.603 -3.280 -17.833 586 1HD LYS 79 2HD LYS 79 -2.377 -5.177 -18.276 587 2HD LYS 79 1HD LYS 79 -3.007 -4.409 -19.732 588 1HE LYS 79 2HE LYS 79 -2.743 -2.189 -18.661 589 2HE LYS 79 1HE LYS 79 -2.065 -2.971 -17.234 590 1HZ LYS 79 1HZ LYS 79 -0.321 -3.905 -18.665 591 2HZ LYS 79 2HZ LYS 79 -0.302 -2.205 -18.651 592 3HZ LYS 79 3HZ LYS 79 -0.946 -3.039 -19.983 593 H HIS 80 H HIS 80 -4.180 -6.991 -14.617 594 HA HIS 80 HA HIS 80 -2.514 -9.202 -15.653 595 1HB HIS 80 2HB HIS 80 -2.715 -8.221 -12.792 596 2HB HIS 80 1HB HIS 80 -1.417 -9.172 -13.514 597 HD1 HIS 80 HD1 HIS 80 -0.268 -7.851 -15.712 598 HD2 HIS 80 HD2 HIS 80 -2.138 -5.526 -12.802 599 HE1 HIS 80 HE1 HIS 80 0.592 -5.488 -16.020 600 H GLY 81 H GLY 81 -4.663 -8.911 -12.777 601 1HA GLY 81 2HA GLY 81 -6.635 -10.582 -12.874 602 2HA GLY 81 1HA GLY 81 -5.387 -11.784 -13.195 603 H SER 82 H SER 82 -5.385 -13.006 -11.340 604 HA SER 82 HA SER 82 -5.207 -11.567 -8.727 605 1HB SER 82 2HB SER 82 -5.880 -13.780 -7.739 606 2HB SER 82 1HB SER 82 -7.098 -13.069 -8.791 607 HG SER 82 HG SER 82 -6.884 -15.173 -9.416 608 H GLU 83 H GLU 83 -3.790 -14.330 -10.525 609 HA GLU 83 HA GLU 83 -1.783 -14.976 -8.612 610 1HB GLU 83 2HB GLU 83 -2.527 -16.018 -11.030 611 2HB GLU 83 1HB GLU 83 -0.987 -15.267 -11.445 612 1HG GLU 83 2HG GLU 83 -1.459 -17.255 -9.199 613 2HG GLU 83 1HG GLU 83 -0.616 -17.579 -10.713 614 H LEU 84 H LEU 84 -0.413 -13.483 -7.804 615 HA LEU 84 HA LEU 84 1.200 -11.862 -9.718 616 1HB LEU 84 2HB LEU 84 -0.269 -10.871 -7.262 617 2HB LEU 84 1HB LEU 84 1.052 -9.972 -8.008 618 HG LEU 84 HG LEU 84 -1.120 -10.931 -9.811 619 1HD1 LEU 84 1HD1 LEU 84 -1.803 -9.567 -7.464 620 2HD1 LEU 84 2HD1 LEU 84 -2.793 -9.716 -8.916 621 3HD1 LEU 84 3HD1 LEU 84 -1.745 -8.313 -8.704 622 1HD2 LEU 84 1HD2 LEU 84 0.713 -8.546 -9.566 623 2HD2 LEU 84 2HD2 LEU 84 -0.669 -8.521 -10.662 624 3HD2 LEU 84 3HD2 LEU 84 0.607 -9.720 -10.878 625 H ARG 85 H ARG 85 3.200 -10.984 -8.609 626 HA ARG 85 HA ARG 85 4.145 -12.853 -6.466 627 1HB ARG 85 2HB ARG 85 5.281 -12.157 -9.089 628 2HB ARG 85 1HB ARG 85 6.432 -12.003 -7.762 629 1HG ARG 85 2HG ARG 85 6.682 -14.249 -8.338 630 2HG ARG 85 1HG ARG 85 5.491 -14.350 -7.043 631 1HD ARG 85 2HD ARG 85 3.761 -14.080 -9.016 632 2HD ARG 85 1HD ARG 85 5.105 -14.658 -10.003 633 HE ARG 85 HE ARG 85 3.778 -16.204 -7.832 634 1HH1 ARG 85 2HH1 ARG 85 6.734 -16.786 -8.127 635 2HH1 ARG 85 1HH1 ARG 85 6.722 -18.096 -9.261 636 1HH2 ARG 85 1HH2 ARG 85 3.446 -17.525 -10.289 637 2HH2 ARG 85 2HH2 ARG 85 4.853 -18.516 -10.489 638 H LEU 86 H LEU 86 5.828 -11.921 -5.040 639 HA LEU 86 HA LEU 86 5.475 -8.970 -4.728 640 1HB LEU 86 2HB LEU 86 4.769 -10.563 -2.849 641 2HB LEU 86 1HB LEU 86 6.487 -10.881 -2.615 642 HG LEU 86 HG LEU 86 6.462 -8.143 -2.713 643 1HD1 LEU 86 1HD1 LEU 86 3.851 -9.107 -1.536 644 2HD1 LEU 86 2HD1 LEU 86 4.106 -7.841 -2.737 645 3HD1 LEU 86 3HD1 LEU 86 4.578 -7.572 -1.059 646 1HD2 LEU 86 1HD2 LEU 86 6.439 -8.370 -0.133 647 2HD2 LEU 86 2HD2 LEU 86 7.677 -9.260 -1.018 648 3HD2 LEU 86 3HD2 LEU 86 6.245 -10.099 -0.422 649 H ILE 87 H ILE 87 7.181 -7.804 -5.392 650 HA ILE 87 HA ILE 87 9.920 -8.984 -5.143 651 HB ILE 87 HB ILE 87 9.024 -8.640 -7.498 652 1HG1 ILE 87 2HG1 ILE 87 11.406 -6.867 -6.946 653 2HG1 ILE 87 1HG1 ILE 87 11.493 -8.621 -6.782 654 1HG2 ILE 87 1HG2 ILE 87 7.860 -6.691 -7.714 655 2HG2 ILE 87 2HG2 ILE 87 9.452 -6.017 -8.057 656 3HG2 ILE 87 3HG2 ILE 87 8.769 -5.882 -6.441 657 1HD1 ILE 87 1HD1 ILE 87 12.190 -7.716 -9.051 658 2HD1 ILE 87 2HD1 ILE 87 10.504 -7.262 -9.297 659 3HD1 ILE 87 3HD1 ILE 87 10.940 -8.959 -9.087 660 HA PRO 88 HA PRO 88 10.716 -5.521 -2.505 661 1HB PRO 88 2HB PRO 88 13.469 -5.641 -2.542 662 2HB PRO 88 1HB PRO 88 12.448 -6.739 -1.598 663 1HG PRO 88 2HG PRO 88 13.931 -7.265 -4.133 664 2HG PRO 88 1HG PRO 88 13.461 -8.396 -2.852 665 1HD PRO 88 2HD PRO 88 12.158 -8.092 -5.334 666 2HD PRO 88 1HD PRO 88 11.502 -8.934 -3.916 667 H ARG 89 H ARG 89 9.847 -4.159 -4.365 668 HA ARG 89 HA ARG 89 10.003 -2.197 -5.616 669 1HB ARG 89 2HB ARG 89 12.362 -2.152 -3.954 670 2HB ARG 89 1HB ARG 89 12.746 -1.505 -5.549 671 1HG ARG 89 2HG ARG 89 10.309 -0.642 -3.977 672 2HG ARG 89 1HG ARG 89 11.858 0.191 -3.867 673 1HD ARG 89 2HD ARG 89 11.768 0.933 -6.084 674 2HD ARG 89 1HD ARG 89 10.641 -0.335 -6.566 675 HE ARG 89 HE ARG 89 9.920 2.243 -5.423 676 1HH1 ARG 89 1HH2 ARG 89 8.543 0.060 -7.316 677 2HH1 ARG 89 2HH2 ARG 89 7.080 -0.173 -6.417 678 1HH2 ARG 89 2HH1 ARG 89 8.241 1.466 -3.584 679 2HH2 ARG 89 1HH1 ARG 89 6.910 0.621 -4.302 680 H ASP 90 H ASP 90 9.875 -2.357 -7.775 681 HA ASP 90 HA ASP 90 11.350 -4.289 -9.315 682 1HB ASP 90 2HB ASP 90 9.603 -1.934 -10.048 683 2HB ASP 90 1HB ASP 90 10.423 -2.885 -11.285 684 H ARG 91 H ARG 91 11.631 -0.733 -9.033 685 HA ARG 91 HA ARG 91 14.157 -0.785 -10.584 686 1HB ARG 91 2HB ARG 91 14.017 1.644 -10.543 687 2HB ARG 91 1HB ARG 91 12.431 1.005 -10.968 688 1HG ARG 91 2HG ARG 91 11.656 1.291 -8.665 689 2HG ARG 91 1HG ARG 91 13.256 1.844 -8.172 690 1HD ARG 91 2HD ARG 91 12.283 3.896 -8.530 691 2HD ARG 91 1HD ARG 91 12.833 3.579 -10.177 692 HE ARG 91 HE ARG 91 10.563 3.134 -10.811 693 1HH1 ARG 91 1HH2 ARG 91 9.752 1.636 -8.306 694 2HH1 ARG 91 2HH2 ARG 91 8.611 2.730 -7.598 695 1HH2 ARG 91 2HH1 ARG 91 9.604 5.445 -9.521 696 2HH2 ARG 91 1HH1 ARG 91 8.522 4.885 -8.290 697 H VAL 92 H VAL 92 15.318 1.499 -9.090 698 HA VAL 92 HA VAL 92 17.000 0.151 -7.270 699 HB VAL 92 HB VAL 92 17.586 2.400 -6.391 700 1HG1 VAL 92 1HG1 VAL 92 18.858 2.467 -8.243 701 2HG1 VAL 92 2HG1 VAL 92 17.542 3.296 -9.075 702 3HG1 VAL 92 3HG1 VAL 92 17.662 1.537 -9.144 703 1HG2 VAL 92 1HG2 VAL 92 15.721 3.740 -6.247 704 2HG2 VAL 92 2HG2 VAL 92 14.988 3.059 -7.699 705 3HG2 VAL 92 3HG2 VAL 92 16.273 4.259 -7.839 706 H GLY 93 H GLY 93 17.087 0.240 -4.914 707 1HA GLY 93 2HA GLY 93 14.553 -0.357 -3.665 708 2HA GLY 93 1HA GLY 93 16.101 -0.221 -2.832 709 H HIS 94 HN HIS 94 13.273 1.537 -3.923 710 HA HIS 94 HA HIS 94 13.920 3.694 -1.977 711 1HB HIS 94 2HB HIS 94 13.869 3.959 -4.861 712 2HB HIS 94 1HB HIS 94 12.606 4.955 -4.138 713 HD1 HIS 94 HD1 HIS 94 16.327 4.269 -3.669 714 HD2 HIS 94 HD2 HIS 94 13.559 7.324 -3.076 715 HE1 HIS 94 HE1 HIS 94 17.640 6.288 -2.886 Start of MODEL 8 1 1H MET 1 1H MET 1 -11.427 8.318 -5.360 2 2H MET 1 2H MET 1 -10.035 8.654 -6.280 3 3H MET 1 3H MET 1 -10.618 7.060 -6.161 4 HA MET 1 HA MET 1 -11.152 8.159 -8.313 5 1HB MET 1 2HB MET 1 -13.127 7.001 -6.391 6 2HB MET 1 1HB MET 1 -13.754 7.681 -7.890 7 1HG MET 1 2HG MET 1 -12.924 5.985 -9.133 8 2HG MET 1 1HG MET 1 -11.382 6.007 -8.287 9 1HE MET 1 1HE MET 1 -10.802 3.976 -8.147 10 2HE MET 1 2HE MET 1 -12.064 2.903 -8.752 11 3HE MET 1 3HE MET 1 -11.429 2.680 -7.126 12 H SER 2 H SER 2 -10.509 10.530 -7.485 13 HA SER 2 HA SER 2 -13.021 12.113 -7.142 14 1HB SER 2 2HB SER 2 -11.009 12.246 -5.455 15 2HB SER 2 1HB SER 2 -10.271 13.245 -6.701 16 HG SER 2 HG SER 2 -12.821 13.656 -5.502 17 H GLY 3 H GLY 3 -13.670 12.555 -9.236 18 1HA GLY 3 2HA GLY 3 -13.385 14.426 -10.877 19 2HA GLY 3 1HA GLY 3 -11.681 13.982 -10.960 20 H GLY 4 H GLY 4 -11.138 11.916 -11.946 21 1HA GLY 4 2HA GLY 4 -12.471 11.460 -14.416 22 2HA GLY 4 1HA GLY 4 -11.255 10.395 -13.717 23 H THR 5 H THR 5 -11.933 8.491 -12.688 24 HA THR 5 HA THR 5 -14.772 7.748 -13.136 25 HB THR 5 HB THR 5 -13.034 5.689 -11.971 26 HG1 THR 5 HG1 THR 5 -11.356 6.255 -13.116 27 1HG2 THR 5 1HG2 THR 5 -14.785 4.667 -12.978 28 2HG2 THR 5 2HG2 THR 5 -13.840 4.854 -14.460 29 3HG2 THR 5 3HG2 THR 5 -15.083 6.034 -14.050 30 H ALA 6 H ALA 6 -16.131 6.977 -11.515 31 HA ALA 6 HA ALA 6 -15.208 7.342 -8.690 32 1HB ALA 6 1HB ALA 6 -17.589 7.964 -8.179 33 2HB ALA 6 2HB ALA 6 -17.922 7.949 -9.910 34 3HB ALA 6 3HB ALA 6 -16.789 9.122 -9.241 35 H ALA 7 H ALA 7 -14.905 4.988 -10.107 36 HA ALA 7 HA ALA 7 -17.144 3.192 -9.829 37 1HB ALA 7 1HB ALA 7 -15.504 2.799 -11.548 38 2HB ALA 7 2HB ALA 7 -15.405 1.460 -10.404 39 3HB ALA 7 3HB ALA 7 -14.199 2.747 -10.363 40 H THR 8 H THR 8 -17.711 3.380 -7.560 41 HA THR 8 HA THR 8 -15.836 2.641 -5.470 42 HB THR 8 HB THR 8 -18.873 2.522 -5.398 43 HG1 THR 8 HG1 THR 8 -18.466 4.595 -5.817 44 1HG2 THR 8 1HG2 THR 8 -18.252 3.097 -2.914 45 2HG2 THR 8 2HG2 THR 8 -16.679 2.424 -3.347 46 3HG2 THR 8 3HG2 THR 8 -18.128 1.426 -3.471 47 H THR 9 H THR 9 -18.369 0.977 -7.326 48 HA THR 9 HA THR 9 -18.935 -1.296 -7.499 49 HB THR 9 HB THR 9 -15.941 -1.699 -7.474 50 HG1 THR 9 HG1 THR 9 -17.578 -0.597 -9.513 51 1HG2 THR 9 1HG2 THR 9 -17.000 -3.054 -9.601 52 2HG2 THR 9 2HG2 THR 9 -18.323 -3.146 -8.439 53 3HG2 THR 9 3HG2 THR 9 -16.727 -3.761 -8.008 54 H ALA 10 H ALA 10 -19.606 -1.085 -5.101 55 HA ALA 10 HA ALA 10 -17.861 -2.453 -3.175 56 1HB ALA 10 1HB ALA 10 -19.543 -1.941 -1.556 57 2HB ALA 10 2HB ALA 10 -20.766 -1.697 -2.804 58 3HB ALA 10 3HB ALA 10 -19.449 -0.537 -2.620 59 H GLY 11 H GLY 11 -20.673 -3.225 -5.173 60 1HA GLY 11 2HA GLY 11 -21.406 -5.681 -3.894 61 2HA GLY 11 1HA GLY 11 -21.781 -5.253 -5.563 62 H SER 12 H SER 12 -19.768 -5.382 -7.079 63 HA SER 12 HA SER 12 -18.619 -8.064 -6.763 64 1HB SER 12 2HB SER 12 -17.633 -7.634 -9.008 65 2HB SER 12 1HB SER 12 -19.369 -7.348 -8.982 66 HG SER 12 HG SER 12 -18.356 -5.626 -9.995 67 H LYS 13 H LYS 13 -16.465 -8.548 -6.331 68 HA LYS 13 HA LYS 13 -14.613 -6.249 -5.844 69 1HB LYS 13 2HB LYS 13 -14.958 -8.684 -4.067 70 2HB LYS 13 1HB LYS 13 -13.769 -7.404 -3.834 71 1HG LYS 13 2HG LYS 13 -15.667 -5.757 -3.695 72 2HG LYS 13 1HG LYS 13 -16.786 -7.119 -3.738 73 1HD LYS 13 2HD LYS 13 -16.213 -7.839 -1.620 74 2HD LYS 13 1HD LYS 13 -14.575 -7.193 -1.728 75 1HE LYS 13 2HE LYS 13 -15.209 -5.100 -1.033 76 2HE LYS 13 1HE LYS 13 -16.788 -5.209 -1.811 77 1HZ LYS 13 1HZ LYS 13 -17.141 -5.278 0.513 78 2HZ LYS 13 2HZ LYS 13 -15.941 -6.461 0.742 79 3HZ LYS 13 3HZ LYS 13 -17.390 -6.857 -0.056 80 H VAL 14 H VAL 14 -12.313 -6.872 -5.928 81 HA VAL 14 HA VAL 14 -11.866 -9.247 -7.696 82 HB VAL 14 HB VAL 14 -9.775 -7.984 -8.420 83 1HG1 VAL 14 1HG1 VAL 14 -11.820 -6.129 -9.284 84 2HG1 VAL 14 2HG1 VAL 14 -12.461 -7.771 -9.250 85 3HG1 VAL 14 3HG1 VAL 14 -11.022 -7.406 -10.201 86 1HG2 VAL 14 1HG2 VAL 14 -9.661 -6.410 -6.530 87 2HG2 VAL 14 2HG2 VAL 14 -11.214 -5.718 -6.998 88 3HG2 VAL 14 3HG2 VAL 14 -9.813 -5.530 -8.050 89 H THR 15 H THR 15 -10.480 -10.800 -6.979 90 HA THR 15 HA THR 15 -9.129 -10.354 -4.360 91 HB THR 15 HB THR 15 -9.567 -12.964 -5.846 92 HG1 THR 15 HG1 THR 15 -11.539 -12.753 -5.203 93 1HG2 THR 15 1HG2 THR 15 -9.122 -13.970 -3.649 94 2HG2 THR 15 2HG2 THR 15 -8.894 -12.365 -2.951 95 3HG2 THR 15 3HG2 THR 15 -7.757 -12.972 -4.154 96 H PHE 16 H PHE 16 -6.889 -10.687 -4.126 97 HA PHE 16 HA PHE 16 -5.357 -11.160 -6.654 98 1HB PHE 16 2HB PHE 16 -4.676 -9.200 -4.444 99 2HB PHE 16 1HB PHE 16 -3.688 -9.523 -5.865 100 HD1 PHE 16 HD1 PHE 16 -4.802 -9.174 -8.185 101 HD2 PHE 16 HD2 PHE 16 -6.356 -7.552 -4.524 102 HE1 PHE 16 HE1 PHE 16 -6.106 -7.506 -9.478 103 HE2 PHE 16 HE2 PHE 16 -7.659 -5.885 -5.817 104 HZ PHE 16 HZ PHE 16 -7.533 -5.864 -8.292 105 H LYS 17 H LYS 17 -3.609 -12.516 -6.481 106 HA LYS 17 HA LYS 17 -3.008 -13.648 -3.774 107 1HB LYS 17 2HB LYS 17 -4.098 -15.114 -5.696 108 2HB LYS 17 1HB LYS 17 -2.441 -15.169 -6.301 109 1HG LYS 17 2HG LYS 17 -1.828 -15.793 -3.837 110 2HG LYS 17 1HG LYS 17 -3.535 -16.210 -3.697 111 1HD LYS 17 2HD LYS 17 -2.886 -18.234 -4.508 112 2HD LYS 17 1HD LYS 17 -2.875 -17.414 -6.072 113 1HE LYS 17 2HE LYS 17 -0.412 -16.907 -4.613 114 2HE LYS 17 1HE LYS 17 -0.684 -18.637 -4.813 115 1HZ LYS 17 1HZ LYS 17 -0.334 -18.511 -7.001 116 2HZ LYS 17 2HZ LYS 17 0.371 -16.998 -6.684 117 3HZ LYS 17 3HZ LYS 17 -1.251 -17.096 -7.181 118 H ILE 18 H ILE 18 -1.125 -12.649 -3.167 119 HA ILE 18 HA ILE 18 1.016 -12.328 -5.231 120 HB ILE 18 HB ILE 18 0.674 -10.857 -2.599 121 1HG1 ILE 18 2HG1 ILE 18 0.445 -9.083 -4.764 122 2HG1 ILE 18 1HG1 ILE 18 -0.531 -10.478 -5.222 123 1HG2 ILE 18 1HG2 ILE 18 2.930 -11.191 -4.252 124 2HG2 ILE 18 2HG2 ILE 18 2.728 -10.012 -2.957 125 3HG2 ILE 18 3HG2 ILE 18 2.313 -9.579 -4.616 126 1HD1 ILE 18 1HD1 ILE 18 -1.043 -9.958 -2.468 127 2HD1 ILE 18 2HD1 ILE 18 -2.153 -9.782 -3.827 128 3HD1 ILE 18 3HD1 ILE 18 -1.153 -8.419 -3.323 129 H THR 19 H THR 19 2.780 -13.597 -5.018 130 HA THR 19 HA THR 19 3.324 -14.876 -2.364 131 HB THR 19 HB THR 19 4.268 -15.886 -5.061 132 HG1 THR 19 HG1 THR 19 2.332 -16.592 -5.366 133 1HG2 THR 19 1HG2 THR 19 3.790 -17.521 -2.591 134 2HG2 THR 19 2HG2 THR 19 5.264 -16.562 -2.727 135 3HG2 THR 19 3HG2 THR 19 4.911 -17.813 -3.919 136 H LEU 20 H LEU 20 5.328 -14.469 -1.450 137 HA LEU 20 HA LEU 20 6.980 -12.368 -2.527 138 1HB LEU 20 2HB LEU 20 6.746 -13.703 -0.059 139 2HB LEU 20 1HB LEU 20 8.395 -14.013 -0.602 140 HG LEU 20 HG LEU 20 7.162 -11.249 -0.634 141 1HD1 LEU 20 1HD1 LEU 20 8.153 -12.836 1.617 142 2HD1 LEU 20 2HD1 LEU 20 7.273 -11.308 1.622 143 3HD1 LEU 20 3HD1 LEU 20 9.025 -11.314 1.425 144 1HD2 LEU 20 1HD2 LEU 20 9.515 -12.320 -1.729 145 2HD2 LEU 20 2HD2 LEU 20 10.041 -11.493 -0.264 146 3HD2 LEU 20 3HD2 LEU 20 9.151 -10.609 -1.504 147 H THR 21 H THR 21 8.624 -12.491 -3.960 148 HA THR 21 HA THR 21 9.410 -15.115 -5.040 149 HB THR 21 HB THR 21 10.792 -13.703 -6.618 150 HG1 THR 21 HG1 THR 21 11.035 -11.679 -6.171 151 1HG2 THR 21 1HG2 THR 21 8.138 -12.450 -6.800 152 2HG2 THR 21 2HG2 THR 21 8.089 -14.201 -6.596 153 3HG2 THR 21 3HG2 THR 21 8.972 -13.495 -7.950 154 H SER 22 H SER 22 10.901 -12.450 -3.213 155 HA SER 22 HA SER 22 13.557 -13.600 -3.196 156 1HB SER 22 2HB SER 22 12.178 -11.360 -1.781 157 2HB SER 22 1HB SER 22 13.667 -11.981 -1.076 158 HG SER 22 HG SER 22 14.298 -10.457 -2.516 159 H ASP 23 H ASP 23 10.762 -13.816 -1.004 160 HA ASP 23 HA ASP 23 12.339 -15.637 0.757 161 1HB ASP 23 2HB ASP 23 10.853 -13.521 1.511 162 2HB ASP 23 1HB ASP 23 9.602 -14.764 1.534 163 HA PRO 24 HA PRO 24 9.917 -18.839 -1.241 164 1HB PRO 24 2HB PRO 24 11.425 -20.899 -0.218 165 2HB PRO 24 1HB PRO 24 11.894 -19.951 -1.640 166 1HG PRO 24 2HG PRO 24 12.987 -19.839 1.133 167 2HG PRO 24 1HG PRO 24 13.774 -19.431 -0.402 168 1HD PRO 24 2HD PRO 24 12.711 -17.582 1.460 169 2HD PRO 24 1HD PRO 24 13.197 -17.221 -0.211 170 H LYS 25 H LYS 25 10.872 -18.777 2.195 171 HA LYS 25 HA LYS 25 9.038 -20.758 3.151 172 1HB LYS 25 2HB LYS 25 10.523 -18.464 4.398 173 2HB LYS 25 1HB LYS 25 9.273 -19.284 5.330 174 1HG LYS 25 2HG LYS 25 10.481 -21.221 5.508 175 2HG LYS 25 1HG LYS 25 11.217 -21.034 3.915 176 1HD LYS 25 2HD LYS 25 12.191 -18.873 5.421 177 2HD LYS 25 1HD LYS 25 12.254 -20.256 6.514 178 1HE LYS 25 2HE LYS 25 13.352 -21.538 4.590 179 2HE LYS 25 1HE LYS 25 13.540 -19.978 3.793 180 1HZ LYS 25 1HZ LYS 25 15.276 -21.051 5.573 181 2HZ LYS 25 2HZ LYS 25 14.393 -19.965 6.539 182 3HZ LYS 25 3HZ LYS 25 15.196 -19.410 5.147 183 H LEU 26 H LEU 26 8.761 -17.189 3.021 184 HA LEU 26 HA LEU 26 6.166 -16.931 4.101 185 1HB LEU 26 2HB LEU 26 7.937 -15.301 2.383 186 2HB LEU 26 1HB LEU 26 6.222 -14.932 2.226 187 HG LEU 26 HG LEU 26 7.266 -13.546 3.976 188 1HD1 LEU 26 1HD1 LEU 26 5.295 -13.631 5.046 189 2HD1 LEU 26 2HD1 LEU 26 5.755 -15.143 5.829 190 3HD1 LEU 26 3HD1 LEU 26 4.958 -15.171 4.256 191 1HD2 LEU 26 1HD2 LEU 26 8.097 -16.247 5.011 192 2HD2 LEU 26 2HD2 LEU 26 7.872 -14.908 6.134 193 3HD2 LEU 26 3HD2 LEU 26 9.060 -14.780 4.837 194 HA PRO 27 HA PRO 27 3.922 -19.032 0.840 195 1HB PRO 27 2HB PRO 27 1.517 -18.999 2.172 196 2HB PRO 27 1HB PRO 27 2.800 -20.181 2.485 197 1HG PRO 27 2HG PRO 27 1.981 -17.819 4.118 198 2HG PRO 27 1HG PRO 27 2.732 -19.337 4.639 199 1HD PRO 27 2HD PRO 27 4.070 -16.875 4.313 200 2HD PRO 27 1HD PRO 27 4.847 -18.467 4.456 201 H PHE 28 H PHE 28 1.930 -18.494 -0.460 202 HA PHE 28 HA PHE 28 1.915 -15.762 -1.301 203 1HB PHE 28 2HB PHE 28 0.016 -16.389 -2.725 204 2HB PHE 28 1HB PHE 28 1.263 -17.631 -2.784 205 HD1 PHE 28 HD1 PHE 28 -2.081 -16.765 -1.456 206 HD2 PHE 28 HD2 PHE 28 0.893 -19.840 -1.853 207 HE1 PHE 28 HE1 PHE 28 -3.731 -18.459 -0.714 208 HE2 PHE 28 HE2 PHE 28 -0.758 -21.532 -1.110 209 HZ PHE 28 HZ PHE 28 -3.071 -20.843 -0.540 210 H LYS 29 H LYS 29 0.178 -14.202 -1.168 211 HA LYS 29 HA LYS 29 -1.511 -14.497 1.289 212 1HB LYS 29 2HB LYS 29 0.339 -12.401 0.448 213 2HB LYS 29 1HB LYS 29 -1.274 -11.760 0.756 214 1HG LYS 29 2HG LYS 29 -0.514 -11.704 2.916 215 2HG LYS 29 1HG LYS 29 -1.024 -13.394 2.897 216 1HD LYS 29 2HD LYS 29 1.354 -13.898 2.016 217 2HD LYS 29 1HD LYS 29 1.756 -12.272 2.570 218 1HE LYS 29 2HE LYS 29 1.112 -12.812 4.835 219 2HE LYS 29 1HE LYS 29 0.463 -14.371 4.331 220 1HZ LYS 29 1HZ LYS 29 2.502 -15.280 4.207 221 2HZ LYS 29 2HZ LYS 29 2.916 -14.043 5.293 222 3HZ LYS 29 3HZ LYS 29 3.241 -13.864 3.635 223 H VAL 30 H VAL 30 -3.684 -14.227 0.990 224 HA VAL 30 HA VAL 30 -4.619 -13.463 -1.738 225 HB VAL 30 HB VAL 30 -6.140 -14.799 0.529 226 1HG1 VAL 30 1HG1 VAL 30 -6.810 -14.011 -2.296 227 2HG1 VAL 30 2HG1 VAL 30 -7.781 -13.833 -0.834 228 3HG1 VAL 30 3HG1 VAL 30 -7.586 -15.421 -1.575 229 1HG2 VAL 30 1HG2 VAL 30 -5.953 -16.759 -1.198 230 2HG2 VAL 30 2HG2 VAL 30 -4.578 -16.418 -0.150 231 3HG2 VAL 30 3HG2 VAL 30 -4.575 -15.853 -1.820 232 H LEU 31 H LEU 31 -5.432 -11.452 -2.005 233 HA LEU 31 HA LEU 31 -6.471 -10.010 0.407 234 1HB LEU 31 2HB LEU 31 -4.481 -9.265 -1.549 235 2HB LEU 31 1HB LEU 31 -5.830 -8.132 -1.613 236 HG LEU 31 HG LEU 31 -5.156 -8.785 1.140 237 1HD1 LEU 31 1HD1 LEU 31 -2.985 -7.098 0.186 238 2HD1 LEU 31 2HD1 LEU 31 -2.920 -8.688 -0.570 239 3HD1 LEU 31 3HD1 LEU 31 -2.905 -8.547 1.191 240 1HD2 LEU 31 1HD2 LEU 31 -6.470 -6.818 0.194 241 2HD2 LEU 31 2HD2 LEU 31 -4.928 -6.153 -0.342 242 3HD2 LEU 31 3HD2 LEU 31 -5.232 -6.396 1.377 243 H SER 32 H SER 32 -8.659 -9.929 0.295 244 HA SER 32 HA SER 32 -9.969 -9.773 -2.379 245 1HB SER 32 2HB SER 32 -12.069 -10.262 -1.029 246 2HB SER 32 1HB SER 32 -10.871 -11.552 -1.045 247 HG SER 32 HG SER 32 -11.759 -10.975 1.065 248 H VAL 33 H VAL 33 -10.164 -7.677 -3.004 249 HA VAL 33 HA VAL 33 -11.448 -5.769 -1.104 250 HB VAL 33 HB VAL 33 -9.935 -3.966 -2.049 251 1HG1 VAL 33 1HG1 VAL 33 -7.835 -5.102 -0.783 252 2HG1 VAL 33 2HG1 VAL 33 -9.124 -6.170 -0.232 253 3HG1 VAL 33 3HG1 VAL 33 -9.225 -4.436 0.073 254 1HG2 VAL 33 1HG2 VAL 33 -8.438 -4.452 -3.667 255 2HG2 VAL 33 2HG2 VAL 33 -9.161 -6.055 -3.777 256 3HG2 VAL 33 3HG2 VAL 33 -7.775 -5.784 -2.721 257 HA PRO 34 HA PRO 34 -13.947 -4.730 -4.571 258 1HB PRO 34 2HB PRO 34 -14.537 -2.107 -3.981 259 2HB PRO 34 1HB PRO 34 -15.259 -3.489 -3.138 260 1HG PRO 34 2HG PRO 34 -13.135 -1.612 -2.198 261 2HG PRO 34 1HG PRO 34 -14.317 -2.534 -1.253 262 1HD PRO 34 2HD PRO 34 -11.599 -3.210 -1.587 263 2HD PRO 34 1HD PRO 34 -12.869 -4.293 -0.978 264 H GLU 35 H GLU 35 -13.993 -3.395 -6.539 265 HA GLU 35 HA GLU 35 -11.425 -2.799 -7.628 266 1HB GLU 35 2HB GLU 35 -14.248 -2.197 -8.478 267 2HB GLU 35 1HB GLU 35 -12.890 -1.517 -9.376 268 1HG GLU 35 2HG GLU 35 -12.986 -3.493 -10.517 269 2HG GLU 35 1HG GLU 35 -12.067 -4.100 -9.141 270 H SER 36 H SER 36 -13.542 -0.872 -5.649 271 HA SER 36 HA SER 36 -12.722 1.747 -6.437 272 1HB SER 36 2HB SER 36 -13.408 2.373 -4.074 273 2HB SER 36 1HB SER 36 -14.635 1.551 -5.021 274 HG SER 36 HG SER 36 -13.977 0.831 -2.719 275 H THR 37 H THR 37 -11.318 -0.554 -4.100 276 HA THR 37 HA THR 37 -9.338 1.293 -3.096 277 HB THR 37 HB THR 37 -8.217 -0.754 -2.206 278 HG1 THR 37 HG1 THR 37 -8.572 -2.385 -3.513 279 1HG2 THR 37 1HG2 THR 37 -9.986 -1.350 -0.672 280 2HG2 THR 37 2HG2 THR 37 -11.218 -0.809 -1.812 281 3HG2 THR 37 3HG2 THR 37 -10.146 0.365 -1.047 282 HA PRO 38 HA PRO 38 -6.665 1.135 -6.631 283 1HB PRO 38 2HB PRO 38 -4.698 2.719 -5.546 284 2HB PRO 38 1HB PRO 38 -6.213 3.353 -6.213 285 1HG PRO 38 2HG PRO 38 -5.395 3.065 -3.360 286 2HG PRO 38 1HG PRO 38 -6.535 4.206 -4.091 287 1HD PRO 38 2HD PRO 38 -7.221 1.867 -2.653 288 2HD PRO 38 1HD PRO 38 -8.317 2.833 -3.664 289 H PHE 39 H PHE 39 -4.346 0.499 -7.078 290 HA PHE 39 HA PHE 39 -3.624 -1.897 -5.666 291 1HB PHE 39 2HB PHE 39 -3.031 -1.073 -8.110 292 2HB PHE 39 1HB PHE 39 -1.603 -0.414 -7.311 293 HD1 PHE 39 HD1 PHE 39 0.264 -1.804 -7.371 294 HD2 PHE 39 HD2 PHE 39 -3.642 -3.570 -7.095 295 HE1 PHE 39 HE1 PHE 39 1.286 -4.063 -7.340 296 HE2 PHE 39 HE2 PHE 39 -2.620 -5.827 -7.065 297 HZ PHE 39 HZ PHE 39 -0.156 -6.074 -7.187 298 H THR 40 H THR 40 -2.969 1.433 -5.002 299 HA THR 40 HA THR 40 -0.456 1.205 -3.646 300 HB THR 40 HB THR 40 -1.248 3.262 -2.389 301 HG1 THR 40 HG1 THR 40 -3.290 3.665 -2.401 302 1HG2 THR 40 1HG2 THR 40 -0.934 2.920 -5.276 303 2HG2 THR 40 2HG2 THR 40 -0.223 4.126 -4.204 304 3HG2 THR 40 3HG2 THR 40 -1.845 4.368 -4.852 305 H ALA 41 H ALA 41 -3.822 0.901 -2.507 306 HA ALA 41 HA ALA 41 -3.065 0.239 0.222 307 1HB ALA 41 1HB ALA 41 -5.683 -0.196 -1.249 308 2HB ALA 41 2HB ALA 41 -5.264 1.234 -0.307 309 3HB ALA 41 3HB ALA 41 -5.454 -0.325 0.495 310 H VAL 42 H VAL 42 -3.941 -1.613 -2.693 311 HA VAL 42 HA VAL 42 -4.081 -4.196 -1.464 312 HB VAL 42 HB VAL 42 -3.247 -3.449 -4.290 313 1HG1 VAL 42 1HG1 VAL 42 -4.556 -6.044 -3.734 314 2HG1 VAL 42 2HG1 VAL 42 -2.915 -5.894 -3.110 315 3HG1 VAL 42 3HG1 VAL 42 -3.227 -5.665 -4.830 316 1HG2 VAL 42 1HG2 VAL 42 -5.907 -4.052 -2.980 317 2HG2 VAL 42 2HG2 VAL 42 -5.673 -4.186 -4.723 318 3HG2 VAL 42 3HG2 VAL 42 -5.458 -2.630 -3.922 319 H LEU 43 H LEU 43 -1.352 -2.537 -3.089 320 HA LEU 43 HA LEU 43 0.606 -4.566 -2.590 321 1HB LEU 43 2HB LEU 43 0.746 -2.513 -4.163 322 2HB LEU 43 1HB LEU 43 1.230 -1.610 -2.728 323 HG LEU 43 HG LEU 43 2.691 -4.122 -2.952 324 1HD1 LEU 43 1HD1 LEU 43 2.793 -2.157 -5.256 325 2HD1 LEU 43 2HD1 LEU 43 2.496 -3.893 -5.335 326 3HD1 LEU 43 3HD1 LEU 43 4.096 -3.291 -4.904 327 1HD2 LEU 43 1HD2 LEU 43 4.579 -2.259 -2.999 328 2HD2 LEU 43 2HD2 LEU 43 3.653 -2.554 -1.529 329 3HD2 LEU 43 3HD2 LEU 43 3.237 -1.196 -2.575 330 H LYS 44 H LYS 44 -0.478 -1.776 -0.678 331 HA LYS 44 HA LYS 44 1.516 -1.879 1.363 332 1HB LYS 44 2HB LYS 44 -0.769 -0.350 0.821 333 2HB LYS 44 1HB LYS 44 -1.115 -1.123 2.366 334 1HG LYS 44 2HG LYS 44 0.175 0.443 3.343 335 2HG LYS 44 1HG LYS 44 1.564 -0.302 2.553 336 1HD LYS 44 2HD LYS 44 1.463 1.195 0.715 337 2HD LYS 44 1HD LYS 44 -0.175 1.710 1.122 338 1HE LYS 44 2HE LYS 44 0.674 2.750 3.198 339 2HE LYS 44 1HE LYS 44 2.312 2.257 2.770 340 1HZ LYS 44 1HZ LYS 44 1.984 3.540 0.659 341 2HZ LYS 44 2HZ LYS 44 2.055 4.482 2.070 342 3HZ LYS 44 3HZ LYS 44 0.559 4.167 1.330 343 H PHE 45 H PHE 45 -1.766 -3.338 1.283 344 HA PHE 45 HA PHE 45 -1.578 -4.694 3.788 345 1HB PHE 45 2HB PHE 45 -3.455 -4.506 1.666 346 2HB PHE 45 1HB PHE 45 -3.153 -6.221 1.924 347 HD1 PHE 45 HD1 PHE 45 -4.162 -3.064 3.603 348 HD2 PHE 45 HD2 PHE 45 -3.933 -7.340 3.885 349 HE1 PHE 45 HE1 PHE 45 -5.577 -3.004 5.639 350 HE2 PHE 45 HE2 PHE 45 -5.347 -7.283 5.921 351 HZ PHE 45 HZ PHE 45 -6.171 -5.115 6.800 352 H ALA 46 H ALA 46 -0.748 -5.776 0.484 353 HA ALA 46 HA ALA 46 -0.051 -8.465 1.200 354 1HB ALA 46 1HB ALA 46 0.544 -8.697 -0.998 355 2HB ALA 46 2HB ALA 46 1.467 -7.196 -1.013 356 3HB ALA 46 3HB ALA 46 -0.289 -7.152 -1.167 357 H ALA 47 H ALA 47 1.932 -5.502 0.899 358 HA ALA 47 HA ALA 47 4.429 -6.760 1.569 359 1HB ALA 47 1HB ALA 47 5.220 -4.452 1.999 360 2HB ALA 47 2HB ALA 47 3.556 -3.875 1.914 361 3HB ALA 47 3HB ALA 47 4.326 -4.556 0.481 362 H GLU 48 H GLU 48 1.995 -5.047 3.553 363 HA GLU 48 HA GLU 48 3.397 -5.156 6.032 364 1HB GLU 48 2HB GLU 48 0.624 -4.681 5.156 365 2HB GLU 48 1HB GLU 48 0.748 -5.395 6.764 366 1HG GLU 48 2HG GLU 48 0.907 -3.120 7.258 367 2HG GLU 48 1HG GLU 48 2.606 -3.570 7.126 368 H GLU 49 H GLU 49 1.148 -7.486 4.523 369 HA GLU 49 HA GLU 49 1.225 -9.383 6.703 370 1HB GLU 49 2HB GLU 49 0.442 -9.577 3.789 371 2HB GLU 49 1HB GLU 49 0.429 -10.990 4.845 372 1HG GLU 49 2HG GLU 49 -1.092 -9.803 6.400 373 2HG GLU 49 1HG GLU 49 -1.102 -8.413 5.314 374 H PHE 50 H PHE 50 3.164 -8.905 3.776 375 HA PHE 50 HA PHE 50 4.682 -11.376 4.114 376 1HB PHE 50 2HB PHE 50 4.717 -9.045 2.251 377 2HB PHE 50 1HB PHE 50 6.209 -9.967 2.416 378 HD1 PHE 50 HD1 PHE 50 3.355 -9.716 0.484 379 HD2 PHE 50 HD2 PHE 50 5.664 -12.674 2.576 380 HE1 PHE 50 HE1 PHE 50 2.434 -11.481 -0.992 381 HE2 PHE 50 HE2 PHE 50 4.741 -14.437 1.099 382 HZ PHE 50 HZ PHE 50 3.128 -13.842 -0.683 383 H LYS 51 H LYS 51 4.717 -8.525 5.857 384 HA LYS 51 HA LYS 51 6.196 -7.668 7.442 385 1HB LYS 51 2HB LYS 51 6.953 -10.416 7.137 386 2HB LYS 51 1HB LYS 51 8.421 -9.452 7.285 387 1HG LYS 51 2HG LYS 51 6.703 -8.349 9.183 388 2HG LYS 51 1HG LYS 51 6.409 -10.082 9.303 389 1HD LYS 51 2HD LYS 51 8.364 -10.371 10.380 390 2HD LYS 51 1HD LYS 51 9.238 -9.635 9.037 391 1HE LYS 51 2HE LYS 51 8.035 -7.464 10.290 392 2HE LYS 51 1HE LYS 51 8.527 -8.493 11.634 393 1HZ LYS 51 1HZ LYS 51 10.504 -8.235 9.540 394 2HZ LYS 51 2HZ LYS 51 10.682 -8.129 11.228 395 3HZ LYS 51 3HZ LYS 51 10.150 -6.781 10.340 396 H VAL 52 H VAL 52 6.307 -6.729 4.757 397 HA VAL 52 HA VAL 52 9.148 -5.827 4.667 398 HB VAL 52 HB VAL 52 9.043 -5.899 2.157 399 1HG1 VAL 52 1HG1 VAL 52 8.545 -8.715 2.852 400 2HG1 VAL 52 2HG1 VAL 52 9.674 -7.900 3.934 401 3HG1 VAL 52 3HG1 VAL 52 9.997 -7.954 2.202 402 1HG2 VAL 52 1HG2 VAL 52 6.861 -6.025 1.432 403 2HG2 VAL 52 2HG2 VAL 52 6.349 -7.003 2.806 404 3HG2 VAL 52 3HG2 VAL 52 7.218 -7.752 1.468 405 HA PRO 53 HA PRO 53 7.358 -1.837 4.215 406 1HB PRO 53 2HB PRO 53 9.354 -0.563 2.813 407 2HB PRO 53 1HB PRO 53 9.452 -0.958 4.537 408 1HG PRO 53 2HG PRO 53 10.804 -2.279 2.228 409 2HG PRO 53 1HG PRO 53 11.320 -2.178 3.919 410 1HD PRO 53 2HD PRO 53 10.129 -4.427 2.692 411 2HD PRO 53 1HD PRO 53 10.319 -4.175 4.441 412 H ALA 54 H ALA 54 5.750 -1.233 2.858 413 HA ALA 54 HA ALA 54 5.622 -2.169 0.099 414 1HB ALA 54 1HB ALA 54 3.563 -0.462 0.217 415 2HB ALA 54 2HB ALA 54 3.843 -0.645 1.948 416 3HB ALA 54 3HB ALA 54 3.488 -2.060 0.958 417 H ALA 55 H ALA 55 6.633 0.795 1.678 418 HA ALA 55 HA ALA 55 6.342 2.626 -0.481 419 1HB ALA 55 1HB ALA 55 8.471 2.552 1.679 420 2HB ALA 55 2HB ALA 55 6.900 3.344 1.805 421 3HB ALA 55 3HB ALA 55 8.099 3.943 0.659 422 H THR 56 H THR 56 9.011 0.380 0.301 423 HA THR 56 HA THR 56 10.250 1.100 -2.324 424 HB THR 56 HB THR 56 11.659 1.496 -0.302 425 HG1 THR 56 HG1 THR 56 12.984 1.111 -1.899 426 1HG2 THR 56 1HG2 THR 56 10.761 -1.208 0.303 427 2HG2 THR 56 2HG2 THR 56 11.506 -0.012 1.364 428 3HG2 THR 56 3HG2 THR 56 12.517 -1.069 0.380 429 H SER 57 H SER 57 8.032 -0.713 -2.221 430 HA SER 57 HA SER 57 9.403 -3.211 -3.119 431 1HB SER 57 2HB SER 57 7.914 -3.118 -0.829 432 2HB SER 57 1HB SER 57 6.695 -3.579 -2.009 433 HG SER 57 HG SER 57 7.785 -5.392 -1.151 434 H ALA 58 H ALA 58 8.104 -4.471 -4.648 435 HA ALA 58 HA ALA 58 5.949 -2.965 -6.041 436 1HB ALA 58 1HB ALA 58 7.163 -2.601 -7.908 437 2HB ALA 58 2HB ALA 58 7.680 -4.286 -7.958 438 3HB ALA 58 3HB ALA 58 8.590 -3.113 -7.009 439 H ILE 59 H ILE 59 4.778 -4.433 -7.617 440 HA ILE 59 HA ILE 59 4.987 -7.298 -6.782 441 HB ILE 59 HB ILE 59 2.577 -5.505 -6.960 442 1HG1 ILE 59 2HG1 ILE 59 3.259 -7.759 -5.051 443 2HG1 ILE 59 1HG1 ILE 59 3.793 -6.097 -4.800 444 1HG2 ILE 59 1HG2 ILE 59 2.183 -7.453 -8.499 445 2HG2 ILE 59 2HG2 ILE 59 1.100 -7.431 -7.108 446 3HG2 ILE 59 3HG2 ILE 59 2.476 -8.533 -7.135 447 1HD1 ILE 59 1HD1 ILE 59 1.000 -7.210 -4.750 448 2HD1 ILE 59 2HD1 ILE 59 1.261 -5.509 -5.135 449 3HD1 ILE 59 3HD1 ILE 59 1.796 -6.153 -3.583 450 H ILE 60 H ILE 60 5.385 -8.594 -8.502 451 HA ILE 60 HA ILE 60 4.824 -7.541 -11.228 452 HB ILE 60 HB ILE 60 6.341 -9.296 -12.029 453 1HG1 ILE 60 2HG1 ILE 60 7.341 -10.164 -9.434 454 2HG1 ILE 60 1HG1 ILE 60 5.640 -10.584 -9.635 455 1HG2 ILE 60 1HG2 ILE 60 8.011 -7.858 -11.596 456 2HG2 ILE 60 2HG2 ILE 60 8.137 -8.482 -9.951 457 3HG2 ILE 60 3HG2 ILE 60 7.051 -7.138 -10.303 458 1HD1 ILE 60 1HD1 ILE 60 7.760 -11.164 -11.722 459 2HD1 ILE 60 2HD1 ILE 60 6.096 -11.749 -11.699 460 3HD1 ILE 60 3HD1 ILE 60 7.250 -12.330 -10.499 461 H THR 61 H THR 61 4.107 -9.335 -12.843 462 HA THR 61 HA THR 61 1.965 -10.959 -11.525 463 HB THR 61 HB THR 61 1.108 -9.156 -12.991 464 HG1 THR 61 HG1 THR 61 -0.115 -11.009 -12.896 465 1HG2 THR 61 1HG2 THR 61 3.097 -10.334 -14.837 466 2HG2 THR 61 2HG2 THR 61 2.498 -8.681 -14.729 467 3HG2 THR 61 3HG2 THR 61 1.550 -9.909 -15.566 468 H ASN 62 H ASN 62 1.322 -12.913 -12.962 469 HA ASN 62 HA ASN 62 3.581 -14.663 -13.207 470 1HB ASN 62 2HB ASN 62 1.987 -16.289 -14.094 471 2HB ASN 62 1HB ASN 62 1.261 -15.434 -12.734 472 1HD2 ASN 62 1HD2 ASN 62 0.893 -16.169 -16.101 473 2HD2 ASN 62 2HD2 ASN 62 -0.451 -15.175 -16.392 474 H ASP 63 H ASP 63 2.178 -12.414 -15.451 475 HA ASP 63 HA ASP 63 3.165 -13.740 -17.861 476 1HB ASP 63 2HB ASP 63 2.297 -10.854 -17.515 477 2HB ASP 63 1HB ASP 63 2.403 -11.755 -19.027 478 H GLY 64 H GLY 64 4.446 -11.449 -15.538 479 1HA GLY 64 2HA GLY 64 6.890 -11.199 -15.387 480 2HA GLY 64 1HA GLY 64 6.960 -11.314 -17.145 481 H VAL 65 H VAL 65 4.872 -9.347 -15.010 482 HA VAL 65 HA VAL 65 6.030 -6.892 -16.269 483 HB VAL 65 HB VAL 65 3.090 -7.336 -15.645 484 1HG1 VAL 65 1HG1 VAL 65 2.842 -5.222 -16.962 485 2HG1 VAL 65 2HG1 VAL 65 4.600 -5.088 -17.012 486 3HG1 VAL 65 3HG1 VAL 65 3.751 -4.999 -15.468 487 1HG2 VAL 65 1HG2 VAL 65 2.729 -7.558 -18.011 488 2HG2 VAL 65 2HG2 VAL 65 4.025 -8.679 -17.598 489 3HG2 VAL 65 3HG2 VAL 65 4.404 -7.139 -18.369 490 H GLY 66 H GLY 66 6.708 -5.455 -14.752 491 1HA GLY 66 2HA GLY 66 6.313 -5.999 -11.920 492 2HA GLY 66 1HA GLY 66 7.224 -4.650 -12.599 493 H VAL 67 H VAL 67 4.019 -5.768 -11.698 494 HA VAL 67 HA VAL 67 2.564 -3.399 -12.443 495 HB VAL 67 HB VAL 67 1.893 -5.303 -10.177 496 1HG1 VAL 67 1HG1 VAL 67 0.551 -3.231 -10.286 497 2HG1 VAL 67 2HG1 VAL 67 -0.422 -4.641 -10.705 498 3HG1 VAL 67 3HG1 VAL 67 0.170 -3.570 -11.975 499 1HG2 VAL 67 1HG2 VAL 67 2.268 -6.663 -12.135 500 2HG2 VAL 67 2HG2 VAL 67 1.406 -5.518 -13.162 501 3HG2 VAL 67 3HG2 VAL 67 0.523 -6.470 -11.968 502 H ASN 68 H ASN 68 2.426 -1.450 -11.430 503 HA ASN 68 HA ASN 68 3.834 -1.147 -8.812 504 1HB ASN 68 2HB ASN 68 3.475 0.614 -11.203 505 2HB ASN 68 1HB ASN 68 3.591 1.389 -9.623 506 1HD2 ASN 68 1HD2 ASN 68 5.684 1.647 -8.772 507 2HD2 ASN 68 2HD2 ASN 68 7.071 0.887 -9.390 508 HA PRO 69 HA PRO 69 0.083 0.055 -6.858 509 1HB PRO 69 2HB PRO 69 1.062 1.832 -4.997 510 2HB PRO 69 1HB PRO 69 1.262 0.077 -4.874 511 1HG PRO 69 2HG PRO 69 3.274 2.145 -5.612 512 2HG PRO 69 1HG PRO 69 3.522 0.540 -4.901 513 1HD PRO 69 2HD PRO 69 3.901 1.240 -7.626 514 2HD PRO 69 1HD PRO 69 3.859 -0.406 -6.960 515 H ALA 70 H ALA 70 -0.296 1.216 -9.076 516 HA ALA 70 HA ALA 70 -0.775 4.115 -8.532 517 1HB ALA 70 1HB ALA 70 0.584 4.733 -10.215 518 2HB ALA 70 2HB ALA 70 -0.312 3.710 -11.337 519 3HB ALA 70 3HB ALA 70 1.051 3.048 -10.438 520 H GLN 71 H GLN 71 -1.611 1.306 -10.585 521 HA GLN 71 HA GLN 71 -4.098 2.540 -11.508 522 1HB GLN 71 2HB GLN 71 -2.812 -0.169 -11.842 523 2HB GLN 71 1HB GLN 71 -4.471 0.115 -12.370 524 1HG GLN 71 2HG GLN 71 -3.727 1.116 -14.241 525 2HG GLN 71 1HG GLN 71 -2.844 2.296 -13.274 526 1HE2 GLN 71 1HE2 GLN 71 -0.626 1.471 -12.423 527 2HE2 GLN 71 2HE2 GLN 71 0.263 0.453 -13.448 528 HA PRO 72 HA PRO 72 -6.785 1.062 -8.352 529 1HB PRO 72 2HB PRO 72 -9.068 0.598 -9.813 530 2HB PRO 72 1HB PRO 72 -8.483 2.216 -9.391 531 1HG PRO 72 2HG PRO 72 -8.373 0.805 -12.017 532 2HG PRO 72 1HG PRO 72 -8.417 2.543 -11.677 533 1HD PRO 72 2HD PRO 72 -6.118 1.059 -12.384 534 2HD PRO 72 1HD PRO 72 -6.129 2.700 -11.702 535 H ALA 73 H ALA 73 -7.874 -0.864 -7.530 536 HA ALA 73 HA ALA 73 -6.683 -3.344 -8.165 537 1HB ALA 73 1HB ALA 73 -7.907 -2.844 -6.046 538 2HB ALA 73 2HB ALA 73 -8.413 -4.364 -6.780 539 3HB ALA 73 3HB ALA 73 -9.427 -2.930 -6.937 540 H GLY 74 H GLY 74 -9.732 -1.942 -9.368 541 1HA GLY 74 2HA GLY 74 -10.710 -4.215 -10.763 542 2HA GLY 74 1HA GLY 74 -11.068 -2.544 -11.199 543 H ASN 75 H ASN 75 -8.572 -1.580 -11.914 544 HA ASN 75 HA ASN 75 -8.235 -2.655 -14.566 545 1HB ASN 75 2HB ASN 75 -7.396 -0.353 -13.150 546 2HB ASN 75 1HB ASN 75 -5.927 -1.146 -13.717 547 1HD2 ASN 75 1HD2 ASN 75 -9.145 -0.036 -14.903 548 2HD2 ASN 75 2HD2 ASN 75 -8.620 0.274 -16.487 549 H ILE 76 H ILE 76 -6.395 -3.040 -11.543 550 HA ILE 76 HA ILE 76 -4.166 -4.465 -12.620 551 HB ILE 76 HB ILE 76 -5.462 -4.672 -9.882 552 1HG1 ILE 76 2HG1 ILE 76 -4.667 -2.396 -10.525 553 2HG1 ILE 76 1HG1 ILE 76 -3.739 -3.076 -9.193 554 1HG2 ILE 76 1HG2 ILE 76 -2.635 -5.425 -10.673 555 2HG2 ILE 76 2HG2 ILE 76 -3.944 -6.597 -10.535 556 3HG2 ILE 76 3HG2 ILE 76 -3.422 -5.690 -9.118 557 1HD1 ILE 76 1HD1 ILE 76 -2.866 -2.348 -11.899 558 2HD1 ILE 76 2HD1 ILE 76 -2.348 -3.963 -11.417 559 3HD1 ILE 76 3HD1 ILE 76 -1.912 -2.565 -10.432 560 H PHE 77 H PHE 77 -7.298 -5.626 -11.356 561 HA PHE 77 HA PHE 77 -6.708 -8.429 -11.796 562 1HB PHE 77 2HB PHE 77 -8.488 -7.377 -10.236 563 2HB PHE 77 1HB PHE 77 -9.482 -7.242 -11.686 564 HD1 PHE 77 HD1 PHE 77 -10.295 -9.236 -12.855 565 HD2 PHE 77 HD2 PHE 77 -7.910 -9.558 -9.297 566 HE1 PHE 77 HE1 PHE 77 -10.930 -11.624 -12.645 567 HE2 PHE 77 HE2 PHE 77 -8.543 -11.947 -9.091 568 HZ PHE 77 HZ PHE 77 -10.054 -12.980 -10.763 569 H LEU 78 H LEU 78 -8.281 -5.887 -13.714 570 HA LEU 78 HA LEU 78 -9.299 -7.607 -15.784 571 1HB LEU 78 2HB LEU 78 -8.671 -4.661 -15.629 572 2HB LEU 78 1HB LEU 78 -9.199 -5.397 -17.141 573 HG LEU 78 HG LEU 78 -10.734 -5.764 -14.563 574 1HD1 LEU 78 1HD1 LEU 78 -10.949 -3.462 -14.757 575 2HD1 LEU 78 2HD1 LEU 78 -12.259 -3.987 -15.815 576 3HD1 LEU 78 3HD1 LEU 78 -10.717 -3.483 -16.505 577 1HD2 LEU 78 1HD2 LEU 78 -10.938 -6.759 -17.254 578 2HD2 LEU 78 2HD2 LEU 78 -12.338 -5.740 -16.919 579 3HD2 LEU 78 3HD2 LEU 78 -11.977 -7.114 -15.873 580 H LYS 79 H LYS 79 -6.219 -5.846 -15.413 581 HA LYS 79 HA LYS 79 -5.255 -6.697 -18.043 582 1HB LYS 79 2HB LYS 79 -4.038 -5.200 -15.726 583 2HB LYS 79 1HB LYS 79 -3.048 -5.737 -17.084 584 1HG LYS 79 2HG LYS 79 -4.704 -4.579 -18.616 585 2HG LYS 79 1HG LYS 79 -5.431 -3.873 -17.173 586 1HD LYS 79 2HD LYS 79 -2.469 -3.633 -17.501 587 2HD LYS 79 1HD LYS 79 -3.496 -2.611 -18.507 588 1HE LYS 79 2HE LYS 79 -3.362 -1.237 -16.667 589 2HE LYS 79 1HE LYS 79 -4.729 -2.224 -16.153 590 1HZ LYS 79 1HZ LYS 79 -3.543 -2.904 -14.431 591 2HZ LYS 79 2HZ LYS 79 -2.222 -1.963 -14.933 592 3HZ LYS 79 3HZ LYS 79 -2.372 -3.570 -15.461 593 H HIS 80 H HIS 80 -4.242 -7.417 -14.669 594 HA HIS 80 HA HIS 80 -2.803 -9.813 -15.698 595 1HB HIS 80 2HB HIS 80 -2.729 -8.645 -12.902 596 2HB HIS 80 1HB HIS 80 -1.620 -9.830 -13.592 597 HD1 HIS 80 HD1 HIS 80 -0.386 -8.860 -15.919 598 HD2 HIS 80 HD2 HIS 80 -1.770 -6.072 -13.146 599 HE1 HIS 80 HE1 HIS 80 0.805 -6.685 -16.434 600 H GLY 81 H GLY 81 -4.772 -9.078 -12.778 601 1HA GLY 81 2HA GLY 81 -6.916 -10.418 -12.555 602 2HA GLY 81 1HA GLY 81 -5.961 -11.813 -13.053 603 H SER 82 H SER 82 -5.581 -13.100 -11.323 604 HA SER 82 HA SER 82 -5.158 -11.824 -8.657 605 1HB SER 82 2HB SER 82 -6.912 -13.754 -9.222 606 2HB SER 82 1HB SER 82 -5.505 -14.779 -8.959 607 HG SER 82 HG SER 82 -6.344 -14.513 -6.971 608 H GLU 83 H GLU 83 -3.649 -13.961 -11.039 609 HA GLU 83 HA GLU 83 -1.518 -14.939 -9.407 610 1HB GLU 83 2HB GLU 83 -1.848 -14.549 -12.378 611 2HB GLU 83 1HB GLU 83 -0.317 -15.111 -11.706 612 1HG GLU 83 2HG GLU 83 -1.153 -17.194 -11.556 613 2HG GLU 83 1HG GLU 83 -2.400 -16.608 -10.457 614 H LEU 84 H LEU 84 -0.482 -13.397 -8.190 615 HA LEU 84 HA LEU 84 1.139 -11.381 -9.676 616 1HB LEU 84 2HB LEU 84 -0.599 -10.895 -7.239 617 2HB LEU 84 1HB LEU 84 0.691 -9.796 -7.724 618 HG LEU 84 HG LEU 84 -1.413 -10.642 -9.709 619 1HD1 LEU 84 1HD1 LEU 84 -1.702 -8.791 -7.395 620 2HD1 LEU 84 2HD1 LEU 84 -2.929 -9.726 -8.250 621 3HD1 LEU 84 3HD1 LEU 84 -2.325 -8.220 -8.944 622 1HD2 LEU 84 1HD2 LEU 84 0.894 -9.024 -9.781 623 2HD2 LEU 84 2HD2 LEU 84 -0.465 -7.899 -9.788 624 3HD2 LEU 84 3HD2 LEU 84 -0.349 -9.149 -11.027 625 H ARG 85 H ARG 85 2.950 -10.539 -8.180 626 HA ARG 85 HA ARG 85 3.709 -12.450 -6.043 627 1HB ARG 85 2HB ARG 85 5.069 -12.152 -8.677 628 2HB ARG 85 1HB ARG 85 6.100 -12.316 -7.256 629 1HG ARG 85 2HG ARG 85 5.124 -14.416 -6.673 630 2HG ARG 85 1HG ARG 85 3.799 -14.197 -7.815 631 1HD ARG 85 2HD ARG 85 5.464 -14.233 -9.681 632 2HD ARG 85 1HD ARG 85 6.725 -14.610 -8.507 633 HE ARG 85 HE ARG 85 4.524 -16.420 -9.335 634 1HH1 ARG 85 2HH1 ARG 85 5.707 -16.218 -6.364 635 2HH1 ARG 85 1HH1 ARG 85 6.677 -17.651 -6.382 636 1HH2 ARG 85 1HH2 ARG 85 6.447 -18.080 -9.817 637 2HH2 ARG 85 2HH2 ARG 85 7.097 -18.710 -8.340 638 H LEU 86 H LEU 86 5.231 -11.570 -4.549 639 HA LEU 86 HA LEU 86 5.466 -8.605 -4.697 640 1HB LEU 86 2HB LEU 86 4.523 -10.012 -2.663 641 2HB LEU 86 1HB LEU 86 6.233 -10.192 -2.272 642 HG LEU 86 HG LEU 86 5.819 -7.461 -2.958 643 1HD1 LEU 86 1HD1 LEU 86 3.810 -8.535 -0.950 644 2HD1 LEU 86 2HD1 LEU 86 3.426 -7.811 -2.513 645 3HD1 LEU 86 3HD1 LEU 86 4.143 -6.825 -1.238 646 1HD2 LEU 86 1HD2 LEU 86 6.641 -9.101 -0.617 647 2HD2 LEU 86 2HD2 LEU 86 6.134 -7.449 -0.266 648 3HD2 LEU 86 3HD2 LEU 86 7.466 -7.743 -1.385 649 H ILE 87 H ILE 87 7.397 -7.678 -5.108 650 HA ILE 87 HA ILE 87 9.887 -9.247 -4.601 651 HB ILE 87 HB ILE 87 9.536 -9.352 -6.995 652 1HG1 ILE 87 2HG1 ILE 87 11.480 -7.069 -6.621 653 2HG1 ILE 87 1HG1 ILE 87 11.838 -8.686 -6.017 654 1HG2 ILE 87 1HG2 ILE 87 9.310 -7.253 -8.336 655 2HG2 ILE 87 2HG2 ILE 87 9.155 -6.347 -6.832 656 3HG2 ILE 87 3HG2 ILE 87 7.933 -7.540 -7.272 657 1HD1 ILE 87 1HD1 ILE 87 12.790 -8.441 -8.249 658 2HD1 ILE 87 2HD1 ILE 87 11.228 -7.937 -8.891 659 3HD1 ILE 87 3HD1 ILE 87 11.453 -9.588 -8.314 660 HA PRO 88 HA PRO 88 10.795 -5.497 -2.402 661 1HB PRO 88 2HB PRO 88 13.283 -6.296 -1.538 662 2HB PRO 88 1HB PRO 88 11.765 -6.816 -0.787 663 1HG PRO 88 2HG PRO 88 13.595 -8.348 -2.581 664 2HG PRO 88 1HG PRO 88 12.496 -8.943 -1.326 665 1HD PRO 88 2HD PRO 88 12.003 -9.015 -4.101 666 2HD PRO 88 1HD PRO 88 10.787 -9.241 -2.826 667 H ARG 89 H ARG 89 11.347 -3.705 -3.572 668 HA ARG 89 HA ARG 89 13.205 -3.776 -5.793 669 1HB ARG 89 2HB ARG 89 11.817 -1.509 -4.339 670 2HB ARG 89 1HB ARG 89 12.902 -1.239 -5.703 671 1HG ARG 89 2HG ARG 89 11.482 -2.851 -7.041 672 2HG ARG 89 1HG ARG 89 10.334 -2.852 -5.703 673 1HD ARG 89 2HD ARG 89 9.436 -1.169 -7.024 674 2HD ARG 89 1HD ARG 89 10.496 -0.221 -5.983 675 HE ARG 89 HE ARG 89 11.990 -1.031 -8.271 676 1HH1 ARG 89 1HH2 ARG 89 11.760 1.799 -7.260 677 2HH1 ARG 89 2HH2 ARG 89 10.939 2.584 -8.565 678 1HH2 ARG 89 2HH1 ARG 89 9.877 -0.392 -10.027 679 2HH2 ARG 89 1HH1 ARG 89 9.870 1.336 -10.143 680 H ASP 90 H ASP 90 13.387 -2.206 -2.561 681 HA ASP 90 HA ASP 90 15.220 -1.631 -1.231 682 1HB ASP 90 2HB ASP 90 15.784 -4.078 -1.757 683 2HB ASP 90 1HB ASP 90 16.900 -3.449 -2.969 684 H ARG 91 H ARG 91 15.721 0.473 -1.585 685 HA ARG 91 HA ARG 91 16.939 1.334 -4.127 686 1HB ARG 91 2HB ARG 91 15.154 2.593 -2.643 687 2HB ARG 91 1HB ARG 91 16.573 3.136 -1.748 688 1HG ARG 91 2HG ARG 91 17.494 4.217 -3.655 689 2HG ARG 91 1HG ARG 91 16.395 3.384 -4.758 690 1HD ARG 91 2HD ARG 91 14.946 4.868 -2.714 691 2HD ARG 91 1HD ARG 91 16.018 5.915 -3.637 692 HE ARG 91 HE ARG 91 14.856 5.089 -5.698 693 1HH1 ARG 91 2HH1 ARG 91 13.008 6.386 -3.454 694 2HH1 ARG 91 1HH1 ARG 91 11.605 5.400 -3.680 695 1HH2 ARG 91 1HH2 ARG 91 13.218 3.036 -5.629 696 2HH2 ARG 91 2HH2 ARG 91 11.718 3.511 -4.918 697 H VAL 92 H VAL 92 17.846 1.625 -0.645 698 HA VAL 92 HA VAL 92 20.700 1.729 -1.543 699 HB VAL 92 HB VAL 92 21.183 2.871 0.614 700 1HG1 VAL 92 1HG1 VAL 92 20.972 4.618 -0.800 701 2HG1 VAL 92 2HG1 VAL 92 19.383 4.859 -0.077 702 3HG1 VAL 92 3HG1 VAL 92 19.542 3.932 -1.569 703 1HG2 VAL 92 1HG2 VAL 92 19.036 3.854 1.727 704 2HG2 VAL 92 2HG2 VAL 92 19.505 2.199 2.111 705 3HG2 VAL 92 3HG2 VAL 92 18.211 2.503 0.953 706 H GLY 93 H GLY 93 22.029 0.106 -0.905 707 1HA GLY 93 2HA GLY 93 21.084 -2.272 0.314 708 2HA GLY 93 1HA GLY 93 22.787 -1.838 0.172 709 H HIS 94 HN HIS 94 23.062 0.341 1.760 710 HA HIS 94 HA HIS 94 22.380 -0.735 4.455 711 1HB HIS 94 2HB HIS 94 24.804 0.084 3.441 712 2HB HIS 94 1HB HIS 94 24.267 1.521 4.309 713 HD1 HIS 94 HD1 HIS 94 23.986 1.338 6.878 714 HD2 HIS 94 HD2 HIS 94 25.309 -2.183 5.089 715 HE1 HIS 94 HE1 HIS 94 24.767 -0.167 8.757 Start of MODEL 9 1 1H MET 1 1H MET 1 -16.954 -10.657 -7.517 2 2H MET 1 2H MET 1 -15.551 -11.484 -7.040 3 3H MET 1 3H MET 1 -16.775 -12.303 -7.885 4 HA MET 1 HA MET 1 -14.644 -10.609 -8.872 5 1HB MET 1 2HB MET 1 -15.263 -13.145 -9.299 6 2HB MET 1 1HB MET 1 -16.354 -12.463 -10.505 7 1HG MET 1 2HG MET 1 -14.397 -12.771 -11.747 8 2HG MET 1 1HG MET 1 -14.242 -11.089 -11.240 9 1HE MET 1 1HE MET 1 -11.115 -10.759 -9.769 10 2HE MET 1 2HE MET 1 -12.530 -10.509 -8.750 11 3HE MET 1 3HE MET 1 -12.623 -10.154 -10.471 12 H SER 2 H SER 2 -15.095 -8.588 -9.574 13 HA SER 2 HA SER 2 -17.625 -8.156 -11.115 14 1HB SER 2 2HB SER 2 -16.949 -6.972 -8.660 15 2HB SER 2 1HB SER 2 -16.619 -5.733 -9.866 16 HG SER 2 HG SER 2 -18.712 -5.461 -9.728 17 H GLY 3 H GLY 3 -14.429 -6.644 -10.449 18 1HA GLY 3 2HA GLY 3 -14.361 -5.680 -13.265 19 2HA GLY 3 1HA GLY 3 -13.297 -5.133 -11.968 20 H GLY 4 H GLY 4 -14.086 -8.130 -13.780 21 1HA GLY 4 2HA GLY 4 -11.341 -8.606 -14.505 22 2HA GLY 4 1HA GLY 4 -11.786 -9.619 -13.131 23 H THR 5 H THR 5 -13.764 -11.003 -13.431 24 HA THR 5 HA THR 5 -13.894 -11.981 -16.252 25 HB THR 5 HB THR 5 -14.734 -13.446 -13.727 26 HG1 THR 5 HG1 THR 5 -12.336 -13.642 -15.235 27 1HG2 THR 5 1HG2 THR 5 -15.591 -14.924 -15.188 28 2HG2 THR 5 2HG2 THR 5 -13.965 -15.187 -15.819 29 3HG2 THR 5 3HG2 THR 5 -15.011 -13.969 -16.552 30 H ALA 6 H ALA 6 -16.123 -11.920 -13.422 31 HA ALA 6 HA ALA 6 -18.415 -11.638 -15.261 32 1HB ALA 6 1HB ALA 6 -19.468 -11.449 -12.735 33 2HB ALA 6 2HB ALA 6 -18.012 -12.400 -12.436 34 3HB ALA 6 3HB ALA 6 -19.213 -12.968 -13.596 35 H ALA 7 H ALA 7 -18.820 -9.620 -16.002 36 HA ALA 7 HA ALA 7 -18.067 -7.230 -14.481 37 1HB ALA 7 1HB ALA 7 -19.656 -7.485 -17.056 38 2HB ALA 7 2HB ALA 7 -17.904 -7.298 -16.959 39 3HB ALA 7 3HB ALA 7 -18.961 -5.998 -16.409 40 H THR 8 H THR 8 -21.132 -8.754 -15.531 41 HA THR 8 HA THR 8 -22.738 -6.814 -14.036 42 HB THR 8 HB THR 8 -24.627 -8.440 -14.660 43 HG1 THR 8 HG1 THR 8 -23.991 -10.279 -15.399 44 1HG2 THR 8 1HG2 THR 8 -22.921 -6.824 -16.471 45 2HG2 THR 8 2HG2 THR 8 -24.648 -6.697 -16.137 46 3HG2 THR 8 3HG2 THR 8 -24.054 -7.923 -17.255 47 H THR 9 H THR 9 -22.178 -7.007 -11.855 48 HA THR 9 HA THR 9 -23.251 -9.385 -10.472 49 HB THR 9 HB THR 9 -20.930 -9.052 -9.040 50 HG1 THR 9 HG1 THR 9 -19.468 -8.263 -10.288 51 1HG2 THR 9 1HG2 THR 9 -21.077 -10.966 -11.361 52 2HG2 THR 9 2HG2 THR 9 -22.153 -11.132 -9.974 53 3HG2 THR 9 3HG2 THR 9 -20.406 -11.233 -9.752 54 H ALA 10 H ALA 10 -24.292 -8.757 -8.646 55 HA ALA 10 HA ALA 10 -24.116 -5.917 -7.844 56 1HB ALA 10 1HB ALA 10 -25.953 -8.149 -6.917 57 2HB ALA 10 2HB ALA 10 -26.343 -6.920 -8.120 58 3HB ALA 10 3HB ALA 10 -26.090 -6.457 -6.437 59 H GLY 11 H GLY 11 -22.478 -5.466 -6.447 60 1HA GLY 11 2HA GLY 11 -21.304 -5.474 -4.404 61 2HA GLY 11 1HA GLY 11 -22.388 -6.745 -3.835 62 H SER 12 H SER 12 -19.664 -6.249 -6.111 63 HA SER 12 HA SER 12 -18.577 -8.878 -5.223 64 1HB SER 12 2HB SER 12 -19.585 -8.232 -7.869 65 2HB SER 12 1HB SER 12 -17.877 -8.654 -7.936 66 HG SER 12 HG SER 12 -19.434 -10.444 -8.039 67 H LYS 13 H LYS 13 -16.329 -8.938 -5.097 68 HA LYS 13 HA LYS 13 -14.905 -6.378 -5.734 69 1HB LYS 13 2HB LYS 13 -14.588 -8.306 -3.423 70 2HB LYS 13 1HB LYS 13 -13.350 -7.122 -3.836 71 1HG LYS 13 2HG LYS 13 -14.486 -5.583 -2.654 72 2HG LYS 13 1HG LYS 13 -15.800 -5.711 -3.821 73 1HD LYS 13 2HD LYS 13 -16.475 -7.831 -2.431 74 2HD LYS 13 1HD LYS 13 -15.488 -7.096 -1.167 75 1HE LYS 13 2HE LYS 13 -16.992 -4.960 -2.074 76 2HE LYS 13 1HE LYS 13 -18.132 -6.301 -2.171 77 1HZ LYS 13 1HZ LYS 13 -17.609 -6.851 0.129 78 2HZ LYS 13 2HZ LYS 13 -18.201 -5.265 -0.004 79 3HZ LYS 13 3HZ LYS 13 -16.538 -5.537 0.216 80 H VAL 14 H VAL 14 -12.444 -6.786 -5.931 81 HA VAL 14 HA VAL 14 -12.035 -9.181 -7.666 82 HB VAL 14 HB VAL 14 -9.987 -7.893 -8.462 83 1HG1 VAL 14 1HG1 VAL 14 -12.310 -6.123 -8.995 84 2HG1 VAL 14 2HG1 VAL 14 -12.555 -7.839 -9.326 85 3HG1 VAL 14 3HG1 VAL 14 -11.250 -6.963 -10.125 86 1HG2 VAL 14 1HG2 VAL 14 -11.298 -5.436 -7.337 87 2HG2 VAL 14 2HG2 VAL 14 -9.620 -5.684 -7.821 88 3HG2 VAL 14 3HG2 VAL 14 -10.209 -6.364 -6.306 89 H THR 15 H THR 15 -10.655 -10.765 -7.006 90 HA THR 15 HA THR 15 -9.233 -10.373 -4.422 91 HB THR 15 HB THR 15 -8.967 -12.878 -4.523 92 HG1 THR 15 HG1 THR 15 -9.495 -13.863 -6.286 93 1HG2 THR 15 1HG2 THR 15 -11.529 -11.396 -4.387 94 2HG2 THR 15 2HG2 THR 15 -10.776 -12.459 -3.199 95 3HG2 THR 15 3HG2 THR 15 -11.665 -13.146 -4.558 96 H PHE 16 H PHE 16 -6.987 -10.813 -4.215 97 HA PHE 16 HA PHE 16 -5.500 -11.175 -6.784 98 1HB PHE 16 2HB PHE 16 -4.807 -9.234 -4.559 99 2HB PHE 16 1HB PHE 16 -3.811 -9.546 -5.978 100 HD1 PHE 16 HD1 PHE 16 -4.972 -9.236 -8.308 101 HD2 PHE 16 HD2 PHE 16 -6.450 -7.553 -4.638 102 HE1 PHE 16 HE1 PHE 16 -6.289 -7.575 -9.596 103 HE2 PHE 16 HE2 PHE 16 -7.764 -5.895 -5.931 104 HZ PHE 16 HZ PHE 16 -7.682 -5.907 -8.406 105 H LYS 17 H LYS 17 -3.745 -12.524 -6.662 106 HA LYS 17 HA LYS 17 -3.174 -13.774 -4.003 107 1HB LYS 17 2HB LYS 17 -4.122 -15.098 -6.137 108 2HB LYS 17 1HB LYS 17 -2.411 -15.130 -6.563 109 1HG LYS 17 2HG LYS 17 -2.092 -15.914 -4.073 110 2HG LYS 17 1HG LYS 17 -3.793 -16.351 -4.194 111 1HD LYS 17 2HD LYS 17 -3.101 -18.283 -5.144 112 2HD LYS 17 1HD LYS 17 -2.689 -17.323 -6.563 113 1HE LYS 17 2HE LYS 17 -0.439 -16.866 -5.459 114 2HE LYS 17 1HE LYS 17 -0.861 -18.109 -4.276 115 1HZ LYS 17 1HZ LYS 17 -1.393 -19.346 -6.599 116 2HZ LYS 17 2HZ LYS 17 0.067 -19.485 -5.752 117 3HZ LYS 17 3HZ LYS 17 -0.067 -18.388 -7.042 118 H ILE 18 H ILE 18 -1.368 -12.694 -3.259 119 HA ILE 18 HA ILE 18 0.883 -12.266 -5.181 120 HB ILE 18 HB ILE 18 0.434 -10.905 -2.504 121 1HG1 ILE 18 2HG1 ILE 18 0.155 -9.009 -4.519 122 2HG1 ILE 18 1HG1 ILE 18 -0.697 -10.409 -5.170 123 1HG2 ILE 18 1HG2 ILE 18 2.036 -9.292 -4.046 124 2HG2 ILE 18 2HG2 ILE 18 2.576 -10.899 -4.534 125 3HG2 ILE 18 3HG2 ILE 18 2.632 -10.426 -2.836 126 1HD1 ILE 18 1HD1 ILE 18 -1.519 -10.352 -2.520 127 2HD1 ILE 18 2HD1 ILE 18 -2.445 -9.749 -3.895 128 3HD1 ILE 18 3HD1 ILE 18 -1.442 -8.644 -2.955 129 H THR 19 H THR 19 2.694 -13.462 -4.897 130 HA THR 19 HA THR 19 3.094 -14.832 -2.260 131 HB THR 19 HB THR 19 4.143 -15.841 -4.909 132 HG1 THR 19 HG1 THR 19 2.200 -16.431 -5.364 133 1HG2 THR 19 1HG2 THR 19 5.140 -16.675 -2.777 134 2HG2 THR 19 2HG2 THR 19 4.350 -17.941 -3.717 135 3HG2 THR 19 3HG2 THR 19 3.544 -17.257 -2.305 136 H LEU 20 H LEU 20 5.065 -14.476 -1.280 137 HA LEU 20 HA LEU 20 6.829 -12.449 -2.387 138 1HB LEU 20 2HB LEU 20 6.320 -13.052 0.123 139 2HB LEU 20 1HB LEU 20 7.615 -14.230 -0.094 140 HG LEU 20 HG LEU 20 8.978 -12.249 -1.067 141 1HD1 LEU 20 1HD1 LEU 20 8.212 -10.097 -0.782 142 2HD1 LEU 20 2HD1 LEU 20 7.304 -10.503 0.673 143 3HD1 LEU 20 3HD1 LEU 20 6.647 -10.898 -0.910 144 1HD2 LEU 20 1HD2 LEU 20 9.957 -11.991 1.006 145 2HD2 LEU 20 2HD2 LEU 20 8.939 -13.385 1.362 146 3HD2 LEU 20 3HD2 LEU 20 8.411 -11.769 1.826 147 H THR 21 H THR 21 8.244 -12.892 -3.988 148 HA THR 21 HA THR 21 9.180 -15.631 -4.479 149 HB THR 21 HB THR 21 8.623 -14.077 -6.348 150 HG1 THR 21 HG1 THR 21 9.982 -15.279 -7.357 151 1HG2 THR 21 1HG2 THR 21 11.088 -12.591 -6.375 152 2HG2 THR 21 2HG2 THR 21 10.235 -12.280 -4.865 153 3HG2 THR 21 3HG2 THR 21 9.435 -11.983 -6.407 154 H SER 22 H SER 22 10.384 -12.768 -2.875 155 HA SER 22 HA SER 22 13.190 -13.454 -2.958 156 1HB SER 22 2HB SER 22 11.894 -11.212 -2.275 157 2HB SER 22 1HB SER 22 12.072 -11.900 -0.663 158 HG SER 22 HG SER 22 13.980 -10.938 -2.439 159 H ASP 23 H ASP 23 10.658 -13.882 -0.451 160 HA ASP 23 HA ASP 23 12.474 -15.776 0.964 161 1HB ASP 23 2HB ASP 23 11.324 -13.788 2.157 162 2HB ASP 23 1HB ASP 23 9.846 -14.738 2.025 163 HA PRO 24 HA PRO 24 9.865 -18.942 -0.810 164 1HB PRO 24 2HB PRO 24 11.405 -21.029 0.110 165 2HB PRO 24 1HB PRO 24 11.788 -20.086 -1.340 166 1HG PRO 24 2HG PRO 24 13.070 -19.998 1.350 167 2HG PRO 24 1HG PRO 24 13.754 -19.594 -0.233 168 1HD PRO 24 2HD PRO 24 12.853 -17.738 1.703 169 2HD PRO 24 1HD PRO 24 13.220 -17.378 0.002 170 H LYS 25 H LYS 25 10.929 -18.783 2.574 171 HA LYS 25 HA LYS 25 9.220 -20.819 3.641 172 1HB LYS 25 2HB LYS 25 10.747 -18.503 4.725 173 2HB LYS 25 1HB LYS 25 9.421 -19.095 5.723 174 1HG LYS 25 2HG LYS 25 10.580 -20.941 6.315 175 2HG LYS 25 1HG LYS 25 11.007 -21.290 4.639 176 1HD LYS 25 2HD LYS 25 12.558 -19.067 5.206 177 2HD LYS 25 1HD LYS 25 12.587 -19.957 6.728 178 1HE LYS 25 2HE LYS 25 14.150 -21.307 5.823 179 2HE LYS 25 1HE LYS 25 12.910 -21.909 4.724 180 1HZ LYS 25 1HZ LYS 25 14.749 -21.094 3.456 181 2HZ LYS 25 2HZ LYS 25 14.721 -19.601 4.267 182 3HZ LYS 25 3HZ LYS 25 13.442 -20.036 3.235 183 H LEU 26 H LEU 26 8.717 -17.298 3.200 184 HA LEU 26 HA LEU 26 6.058 -17.259 4.317 185 1HB LEU 26 2HB LEU 26 7.707 -15.400 2.643 186 2HB LEU 26 1HB LEU 26 5.972 -15.109 2.754 187 HG LEU 26 HG LEU 26 7.329 -15.692 5.323 188 1HD1 LEU 26 1HD1 LEU 26 8.206 -13.533 3.516 189 2HD1 LEU 26 2HD1 LEU 26 9.011 -14.219 4.928 190 3HD1 LEU 26 3HD1 LEU 26 7.764 -12.989 5.135 191 1HD2 LEU 26 1HD2 LEU 26 5.648 -14.341 6.170 192 2HD2 LEU 26 2HD2 LEU 26 4.866 -14.894 4.688 193 3HD2 LEU 26 3HD2 LEU 26 5.623 -13.302 4.745 194 HA PRO 27 HA PRO 27 4.133 -19.226 0.789 195 1HB PRO 27 2HB PRO 27 1.644 -19.379 1.942 196 2HB PRO 27 1HB PRO 27 2.961 -20.509 2.300 197 1HG PRO 27 2HG PRO 27 1.884 -18.290 3.974 198 2HG PRO 27 1HG PRO 27 2.710 -19.775 4.475 199 1HD PRO 27 2HD PRO 27 3.872 -17.194 4.321 200 2HD PRO 27 1HD PRO 27 4.745 -18.728 4.521 201 H PHE 28 H PHE 28 1.987 -18.759 -0.450 202 HA PHE 28 HA PHE 28 1.925 -15.954 -1.184 203 1HB PHE 28 2HB PHE 28 0.258 -16.603 -2.818 204 2HB PHE 28 1HB PHE 28 1.493 -17.858 -2.777 205 HD1 PHE 28 HD1 PHE 28 -1.960 -16.978 -1.787 206 HD2 PHE 28 HD2 PHE 28 1.013 -20.077 -1.929 207 HE1 PHE 28 HE1 PHE 28 -3.694 -18.668 -1.256 208 HE2 PHE 28 HE2 PHE 28 -0.722 -21.765 -1.396 209 HZ PHE 28 HZ PHE 28 -3.075 -21.061 -1.060 210 H LYS 29 H LYS 29 -0.094 -14.627 -1.149 211 HA LYS 29 HA LYS 29 -1.978 -15.343 1.049 212 1HB LYS 29 2HB LYS 29 -0.162 -12.969 0.902 213 2HB LYS 29 1HB LYS 29 -1.784 -12.726 1.554 214 1HG LYS 29 2HG LYS 29 -1.352 -14.711 3.077 215 2HG LYS 29 1HG LYS 29 0.328 -14.654 2.545 216 1HD LYS 29 2HD LYS 29 -0.923 -12.116 3.520 217 2HD LYS 29 1HD LYS 29 -0.469 -13.329 4.717 218 1HE LYS 29 2HE LYS 29 1.563 -12.283 4.596 219 2HE LYS 29 1HE LYS 29 1.773 -13.321 3.186 220 1HZ LYS 29 1HZ LYS 29 1.309 -11.612 1.746 221 2HZ LYS 29 2HZ LYS 29 2.140 -10.787 2.977 222 3HZ LYS 29 3HZ LYS 29 0.447 -10.712 2.893 223 H VAL 30 H VAL 30 -4.081 -14.583 0.722 224 HA VAL 30 HA VAL 30 -4.606 -13.443 -1.980 225 HB VAL 30 HB VAL 30 -6.547 -14.711 -0.023 226 1HG1 VAL 30 1HG1 VAL 30 -7.777 -14.993 -2.332 227 2HG1 VAL 30 2HG1 VAL 30 -6.746 -13.652 -2.830 228 3HG1 VAL 30 3HG1 VAL 30 -7.866 -13.451 -1.482 229 1HG2 VAL 30 1HG2 VAL 30 -4.797 -16.295 -0.812 230 2HG2 VAL 30 2HG2 VAL 30 -5.207 -15.893 -2.480 231 3HG2 VAL 30 3HG2 VAL 30 -6.389 -16.702 -1.451 232 H LEU 31 H LEU 31 -5.301 -11.384 -2.187 233 HA LEU 31 HA LEU 31 -6.190 -9.926 0.269 234 1HB LEU 31 2HB LEU 31 -4.162 -9.316 -1.592 235 2HB LEU 31 1HB LEU 31 -5.482 -8.210 -1.964 236 HG LEU 31 HG LEU 31 -5.258 -8.335 0.875 237 1HD1 LEU 31 1HD1 LEU 31 -3.039 -8.965 0.991 238 2HD1 LEU 31 2HD1 LEU 31 -2.831 -7.228 0.768 239 3HD1 LEU 31 3HD1 LEU 31 -2.661 -8.320 -0.606 240 1HD2 LEU 31 1HD2 LEU 31 -4.886 -6.329 -1.319 241 2HD2 LEU 31 2HD2 LEU 31 -4.355 -5.895 0.306 242 3HD2 LEU 31 3HD2 LEU 31 -6.041 -6.328 0.014 243 H SER 32 H SER 32 -8.387 -9.729 0.260 244 HA SER 32 HA SER 32 -9.815 -9.566 -2.346 245 1HB SER 32 2HB SER 32 -10.722 -10.164 0.475 246 2HB SER 32 1HB SER 32 -11.864 -9.835 -0.824 247 HG SER 32 HG SER 32 -11.324 -12.095 -0.509 248 H VAL 33 H VAL 33 -10.032 -7.506 -3.065 249 HA VAL 33 HA VAL 33 -11.123 -5.470 -1.188 250 HB VAL 33 HB VAL 33 -9.586 -3.747 -2.174 251 1HG1 VAL 33 1HG1 VAL 33 -7.724 -4.287 -0.769 252 2HG1 VAL 33 2HG1 VAL 33 -8.049 -6.017 -0.894 253 3HG1 VAL 33 3HG1 VAL 33 -9.152 -4.975 0.006 254 1HG2 VAL 33 1HG2 VAL 33 -8.749 -4.526 -4.186 255 2HG2 VAL 33 2HG2 VAL 33 -8.600 -6.185 -3.605 256 3HG2 VAL 33 3HG2 VAL 33 -7.413 -4.972 -3.125 257 HA PRO 34 HA PRO 34 -13.730 -4.518 -4.595 258 1HB PRO 34 2HB PRO 34 -14.295 -1.885 -4.026 259 2HB PRO 34 1HB PRO 34 -14.996 -3.255 -3.146 260 1HG PRO 34 2HG PRO 34 -12.839 -1.376 -2.290 261 2HG PRO 34 1HG PRO 34 -14.002 -2.275 -1.301 262 1HD PRO 34 2HD PRO 34 -11.301 -2.977 -1.684 263 2HD PRO 34 1HD PRO 34 -12.567 -4.048 -1.046 264 H GLU 35 H GLU 35 -13.894 -3.124 -6.539 265 HA GLU 35 HA GLU 35 -11.391 -2.624 -7.805 266 1HB GLU 35 2HB GLU 35 -14.198 -1.696 -8.452 267 2HB GLU 35 1HB GLU 35 -12.817 -1.339 -9.488 268 1HG GLU 35 2HG GLU 35 -13.323 -3.331 -10.470 269 2HG GLU 35 1HG GLU 35 -12.486 -4.026 -9.082 270 H SER 36 H SER 36 -13.501 -0.518 -5.911 271 HA SER 36 HA SER 36 -12.401 2.007 -6.628 272 1HB SER 36 2HB SER 36 -14.123 0.956 -4.546 273 2HB SER 36 1HB SER 36 -12.998 2.134 -3.876 274 HG SER 36 HG SER 36 -14.667 3.321 -4.646 275 H THR 37 H THR 37 -11.326 -0.411 -4.241 276 HA THR 37 HA THR 37 -9.249 1.181 -3.059 277 HB THR 37 HB THR 37 -9.445 -1.837 -3.357 278 HG1 THR 37 HG1 THR 37 -10.163 -0.091 -1.238 279 1HG2 THR 37 1HG2 THR 37 -8.026 -1.516 -1.122 280 2HG2 THR 37 2HG2 THR 37 -7.542 -0.027 -1.933 281 3HG2 THR 37 3HG2 THR 37 -7.247 -1.586 -2.703 282 HA PRO 38 HA PRO 38 -6.547 1.127 -6.606 283 1HB PRO 38 2HB PRO 38 -4.619 2.715 -5.461 284 2HB PRO 38 1HB PRO 38 -6.122 3.344 -6.157 285 1HG PRO 38 2HG PRO 38 -5.367 3.036 -3.289 286 2HG PRO 38 1HG PRO 38 -6.498 4.177 -4.036 287 1HD PRO 38 2HD PRO 38 -7.201 1.821 -2.636 288 2HD PRO 38 1HD PRO 38 -8.281 2.788 -3.663 289 H PHE 39 H PHE 39 -4.255 0.461 -7.029 290 HA PHE 39 HA PHE 39 -3.533 -1.915 -5.591 291 1HB PHE 39 2HB PHE 39 -2.923 -1.090 -8.039 292 2HB PHE 39 1HB PHE 39 -1.493 -0.454 -7.226 293 HD1 PHE 39 HD1 PHE 39 -3.583 -3.582 -7.131 294 HD2 PHE 39 HD2 PHE 39 0.356 -1.869 -7.173 295 HE1 PHE 39 HE1 PHE 39 -2.594 -5.855 -7.092 296 HE2 PHE 39 HE2 PHE 39 1.344 -4.141 -7.136 297 HZ PHE 39 HZ PHE 39 -0.131 -6.134 -7.094 298 H THR 40 H THR 40 -2.846 1.436 -5.001 299 HA THR 40 HA THR 40 -0.361 1.244 -3.617 300 HB THR 40 HB THR 40 -1.617 3.185 -2.194 301 HG1 THR 40 HG1 THR 40 -3.311 3.959 -3.205 302 1HG2 THR 40 1HG2 THR 40 -0.347 4.609 -3.439 303 2HG2 THR 40 2HG2 THR 40 -0.952 3.979 -4.972 304 3HG2 THR 40 3HG2 THR 40 0.302 3.105 -4.091 305 H ALA 41 H ALA 41 -3.717 0.952 -2.429 306 HA ALA 41 HA ALA 41 -2.917 0.268 0.278 307 1HB ALA 41 1HB ALA 41 -5.387 -0.495 0.391 308 2HB ALA 41 2HB ALA 41 -5.522 0.151 -1.243 309 3HB ALA 41 3HB ALA 41 -5.077 1.214 0.091 310 H VAL 42 H VAL 42 -3.869 -1.594 -2.616 311 HA VAL 42 HA VAL 42 -4.023 -4.169 -1.385 312 HB VAL 42 HB VAL 42 -3.129 -3.465 -4.204 313 1HG1 VAL 42 1HG1 VAL 42 -3.147 -5.953 -2.835 314 2HG1 VAL 42 2HG1 VAL 42 -2.892 -5.674 -4.556 315 3HG1 VAL 42 3HG1 VAL 42 -4.517 -5.976 -3.944 316 1HG2 VAL 42 1HG2 VAL 42 -5.656 -4.359 -4.471 317 2HG2 VAL 42 2HG2 VAL 42 -5.286 -2.657 -4.202 318 3HG2 VAL 42 3HG2 VAL 42 -5.780 -3.676 -2.850 319 H LEU 43 H LEU 43 -1.271 -2.611 -3.071 320 HA LEU 43 HA LEU 43 0.642 -4.659 -2.464 321 1HB LEU 43 2HB LEU 43 0.830 -2.775 -4.200 322 2HB LEU 43 1HB LEU 43 1.293 -1.731 -2.857 323 HG LEU 43 HG LEU 43 2.737 -4.298 -2.918 324 1HD1 LEU 43 1HD1 LEU 43 2.545 -2.629 -5.332 325 2HD1 LEU 43 2HD1 LEU 43 3.165 -4.269 -5.144 326 3HD1 LEU 43 3HD1 LEU 43 4.202 -2.890 -4.787 327 1HD2 LEU 43 1HD2 LEU 43 3.541 -1.373 -2.763 328 2HD2 LEU 43 2HD2 LEU 43 4.655 -2.727 -2.564 329 3HD2 LEU 43 3HD2 LEU 43 3.349 -2.481 -1.404 330 H LYS 44 H LYS 44 -0.412 -1.755 -0.715 331 HA LYS 44 HA LYS 44 1.647 -1.745 1.285 332 1HB LYS 44 2HB LYS 44 -0.390 -0.055 0.691 333 2HB LYS 44 1HB LYS 44 -1.088 -0.879 2.083 334 1HG LYS 44 2HG LYS 44 1.521 -0.371 2.892 335 2HG LYS 44 1HG LYS 44 1.098 1.072 1.971 336 1HD LYS 44 2HD LYS 44 0.260 1.689 4.030 337 2HD LYS 44 1HD LYS 44 -1.161 0.864 3.384 338 1HE LYS 44 2HE LYS 44 -0.671 -1.136 4.598 339 2HE LYS 44 1HE LYS 44 0.951 -0.574 5.006 340 1HZ LYS 44 1HZ LYS 44 -0.305 -0.203 6.916 341 2HZ LYS 44 2HZ LYS 44 -1.643 0.384 6.048 342 3HZ LYS 44 3HZ LYS 44 -0.234 1.325 6.177 343 H PHE 45 H PHE 45 -1.619 -3.194 1.244 344 HA PHE 45 HA PHE 45 -1.426 -4.366 3.863 345 1HB PHE 45 2HB PHE 45 -3.478 -3.984 2.175 346 2HB PHE 45 1HB PHE 45 -3.123 -5.667 1.782 347 HD1 PHE 45 HD1 PHE 45 -4.338 -7.237 2.984 348 HD2 PHE 45 HD2 PHE 45 -3.257 -3.537 4.882 349 HE1 PHE 45 HE1 PHE 45 -5.478 -7.967 5.061 350 HE2 PHE 45 HE2 PHE 45 -4.397 -4.268 6.957 351 HZ PHE 45 HZ PHE 45 -5.508 -6.484 7.047 352 H ALA 46 H ALA 46 -0.772 -5.666 0.593 353 HA ALA 46 HA ALA 46 -0.212 -8.349 1.404 354 1HB ALA 46 1HB ALA 46 0.971 -6.795 -0.920 355 2HB ALA 46 2HB ALA 46 -0.551 -7.684 -0.957 356 3HB ALA 46 3HB ALA 46 0.970 -8.550 -0.746 357 H ALA 47 H ALA 47 1.977 -5.549 0.955 358 HA ALA 47 HA ALA 47 4.370 -6.945 1.732 359 1HB ALA 47 1HB ALA 47 4.242 -4.726 0.494 360 2HB ALA 47 2HB ALA 47 5.406 -4.780 1.817 361 3HB ALA 47 3HB ALA 47 3.852 -3.976 2.042 362 H GLU 48 H GLU 48 1.917 -5.145 3.557 363 HA GLU 48 HA GLU 48 3.269 -4.943 6.051 364 1HB GLU 48 2HB GLU 48 1.089 -3.836 5.460 365 2HB GLU 48 1HB GLU 48 0.300 -5.402 5.639 366 1HG GLU 48 2HG GLU 48 1.880 -5.042 7.963 367 2HG GLU 48 1HG GLU 48 1.044 -3.513 7.690 368 H GLU 49 H GLU 49 1.132 -7.539 4.813 369 HA GLU 49 HA GLU 49 1.522 -9.204 7.168 370 1HB GLU 49 2HB GLU 49 0.239 -9.576 4.476 371 2HB GLU 49 1HB GLU 49 0.545 -10.981 5.496 372 1HG GLU 49 2HG GLU 49 -1.455 -10.479 6.446 373 2HG GLU 49 1HG GLU 49 -0.559 -9.220 7.295 374 H PHE 50 H PHE 50 3.169 -8.813 4.079 375 HA PHE 50 HA PHE 50 4.675 -11.312 4.290 376 1HB PHE 50 2HB PHE 50 4.583 -8.994 2.421 377 2HB PHE 50 1HB PHE 50 6.104 -9.878 2.504 378 HD1 PHE 50 HD1 PHE 50 3.455 -9.651 0.486 379 HD2 PHE 50 HD2 PHE 50 5.329 -12.644 2.933 380 HE1 PHE 50 HE1 PHE 50 2.500 -11.428 -0.955 381 HE2 PHE 50 HE2 PHE 50 4.370 -14.420 1.493 382 HZ PHE 50 HZ PHE 50 2.956 -13.812 -0.451 383 H LYS 51 H LYS 51 4.852 -8.501 6.064 384 HA LYS 51 HA LYS 51 6.458 -7.608 7.493 385 1HB LYS 51 2HB LYS 51 7.726 -10.284 6.861 386 2HB LYS 51 1HB LYS 51 8.489 -9.123 7.948 387 1HG LYS 51 2HG LYS 51 6.404 -9.081 9.315 388 2HG LYS 51 1HG LYS 51 5.718 -10.317 8.263 389 1HD LYS 51 2HD LYS 51 7.997 -11.577 8.858 390 2HD LYS 51 1HD LYS 51 7.900 -10.554 10.293 391 1HE LYS 51 2HE LYS 51 6.629 -12.304 11.066 392 2HE LYS 51 1HE LYS 51 5.352 -11.425 10.227 393 1HZ LYS 51 1HZ LYS 51 5.535 -12.826 8.365 394 2HZ LYS 51 2HZ LYS 51 5.539 -13.861 9.713 395 3HZ LYS 51 3HZ LYS 51 6.993 -13.508 8.905 396 H VAL 52 H VAL 52 6.442 -6.809 4.757 397 HA VAL 52 HA VAL 52 9.296 -5.993 4.448 398 HB VAL 52 HB VAL 52 8.953 -6.104 1.943 399 1HG1 VAL 52 1HG1 VAL 52 9.371 -8.505 1.813 400 2HG1 VAL 52 2HG1 VAL 52 8.674 -8.740 3.416 401 3HG1 VAL 52 3HG1 VAL 52 10.182 -7.844 3.232 402 1HG2 VAL 52 1HG2 VAL 52 6.950 -6.679 1.076 403 2HG2 VAL 52 2HG2 VAL 52 6.287 -6.622 2.707 404 3HG2 VAL 52 3HG2 VAL 52 6.893 -8.143 2.056 405 HA PRO 53 HA PRO 53 7.580 -1.972 4.107 406 1HB PRO 53 2HB PRO 53 9.547 -0.749 2.626 407 2HB PRO 53 1HB PRO 53 9.698 -1.142 4.344 408 1HG PRO 53 2HG PRO 53 10.933 -2.502 1.992 409 2HG PRO 53 1HG PRO 53 11.512 -2.410 3.663 410 1HD PRO 53 2HD PRO 53 10.225 -4.631 2.489 411 2HD PRO 53 1HD PRO 53 10.478 -4.377 4.228 412 H ALA 54 H ALA 54 5.891 -1.425 2.850 413 HA ALA 54 HA ALA 54 5.610 -2.298 0.096 414 1HB ALA 54 1HB ALA 54 3.432 -1.717 0.369 415 2HB ALA 54 2HB ALA 54 3.844 -0.113 0.976 416 3HB ALA 54 3HB ALA 54 3.857 -1.499 2.067 417 H ALA 55 H ALA 55 6.547 0.726 1.674 418 HA ALA 55 HA ALA 55 6.392 2.477 -0.563 419 1HB ALA 55 1HB ALA 55 8.668 2.820 1.326 420 2HB ALA 55 2HB ALA 55 7.049 2.821 2.029 421 3HB ALA 55 3HB ALA 55 7.470 3.995 0.781 422 H THR 56 H THR 56 8.908 0.169 0.411 423 HA THR 56 HA THR 56 10.398 0.857 -2.092 424 HB THR 56 HB THR 56 12.354 -0.277 -0.917 425 HG1 THR 56 HG1 THR 56 12.058 -1.029 1.015 426 1HG2 THR 56 1HG2 THR 56 11.450 2.026 0.764 427 2HG2 THR 56 2HG2 THR 56 11.664 2.284 -0.968 428 3HG2 THR 56 3HG2 THR 56 13.020 1.731 0.017 429 H SER 57 H SER 57 8.167 -0.777 -2.332 430 HA SER 57 HA SER 57 9.424 -3.319 -3.179 431 1HB SER 57 2HB SER 57 7.251 -3.081 -1.121 432 2HB SER 57 1HB SER 57 7.282 -4.477 -2.193 433 HG SER 57 HG SER 57 8.499 -4.600 -0.130 434 H ALA 58 H ALA 58 8.187 -4.431 -4.790 435 HA ALA 58 HA ALA 58 5.833 -2.969 -5.895 436 1HB ALA 58 1HB ALA 58 8.437 -3.064 -7.073 437 2HB ALA 58 2HB ALA 58 6.967 -2.355 -7.741 438 3HB ALA 58 3HB ALA 58 7.358 -4.045 -8.064 439 H ILE 59 H ILE 59 4.715 -4.417 -7.607 440 HA ILE 59 HA ILE 59 5.028 -7.299 -6.853 441 HB ILE 59 HB ILE 59 2.539 -5.603 -7.006 442 1HG1 ILE 59 2HG1 ILE 59 3.317 -7.810 -5.085 443 2HG1 ILE 59 1HG1 ILE 59 3.808 -6.133 -4.852 444 1HG2 ILE 59 1HG2 ILE 59 1.208 -7.296 -7.715 445 2HG2 ILE 59 2HG2 ILE 59 2.073 -8.492 -6.753 446 3HG2 ILE 59 3HG2 ILE 59 2.683 -8.029 -8.340 447 1HD1 ILE 59 1HD1 ILE 59 1.338 -5.518 -5.048 448 2HD1 ILE 59 2HD1 ILE 59 1.793 -6.407 -3.593 449 3HD1 ILE 59 3HD1 ILE 59 0.995 -7.243 -4.926 450 H ILE 60 H ILE 60 5.466 -8.522 -8.609 451 HA ILE 60 HA ILE 60 4.879 -7.409 -11.305 452 HB ILE 60 HB ILE 60 6.433 -9.137 -12.140 453 1HG1 ILE 60 2HG1 ILE 60 7.519 -9.941 -9.566 454 2HG1 ILE 60 1HG1 ILE 60 5.826 -10.412 -9.702 455 1HG2 ILE 60 1HG2 ILE 60 7.182 -7.144 -10.071 456 2HG2 ILE 60 2HG2 ILE 60 7.740 -7.306 -11.735 457 3HG2 ILE 60 3HG2 ILE 60 8.416 -8.337 -10.475 458 1HD1 ILE 60 1HD1 ILE 60 7.625 -12.048 -10.616 459 2HD1 ILE 60 2HD1 ILE 60 7.750 -10.921 -11.965 460 3HD1 ILE 60 3HD1 ILE 60 6.216 -11.719 -11.622 461 H THR 61 H THR 61 4.302 -9.261 -12.962 462 HA THR 61 HA THR 61 2.067 -10.834 -11.753 463 HB THR 61 HB THR 61 2.445 -10.018 -14.654 464 HG1 THR 61 HG1 THR 61 1.514 -8.220 -14.127 465 1HG2 THR 61 1HG2 THR 61 0.443 -11.620 -13.155 466 2HG2 THR 61 2HG2 THR 61 0.914 -11.708 -14.852 467 3HG2 THR 61 3HG2 THR 61 -0.206 -10.458 -14.313 468 H ASN 62 H ASN 62 1.699 -13.007 -12.622 469 HA ASN 62 HA ASN 62 3.994 -14.655 -12.650 470 1HB ASN 62 2HB ASN 62 1.118 -14.989 -13.152 471 2HB ASN 62 1HB ASN 62 2.123 -16.146 -14.024 472 1HD2 ASN 62 1HD2 ASN 62 1.849 -14.733 -10.705 473 2HD2 ASN 62 2HD2 ASN 62 2.254 -16.175 -9.906 474 H ASP 63 H ASP 63 2.474 -12.942 -15.324 475 HA ASP 63 HA ASP 63 3.822 -14.513 -17.393 476 1HB ASP 63 2HB ASP 63 2.376 -11.847 -17.496 477 2HB ASP 63 1HB ASP 63 3.006 -12.688 -18.913 478 H GLY 64 H GLY 64 4.284 -11.281 -15.928 479 1HA GLY 64 2HA GLY 64 6.858 -10.949 -15.541 480 2HA GLY 64 1HA GLY 64 6.926 -11.087 -17.298 481 H VAL 65 H VAL 65 4.795 -9.352 -14.992 482 HA VAL 65 HA VAL 65 5.421 -6.826 -16.462 483 HB VAL 65 HB VAL 65 2.671 -7.644 -15.472 484 1HG1 VAL 65 1HG1 VAL 65 2.905 -5.256 -15.407 485 2HG1 VAL 65 2HG1 VAL 65 2.014 -5.633 -16.881 486 3HG1 VAL 65 3HG1 VAL 65 3.730 -5.235 -16.966 487 1HG2 VAL 65 1HG2 VAL 65 3.110 -8.988 -17.392 488 2HG2 VAL 65 2HG2 VAL 65 3.939 -7.669 -18.218 489 3HG2 VAL 65 3HG2 VAL 65 2.189 -7.611 -17.996 490 H GLY 66 H GLY 66 6.321 -5.445 -15.027 491 1HA GLY 66 2HA GLY 66 6.183 -5.847 -12.165 492 2HA GLY 66 1HA GLY 66 6.950 -4.484 -12.979 493 H VAL 67 H VAL 67 3.919 -5.721 -11.715 494 HA VAL 67 HA VAL 67 2.297 -3.431 -12.394 495 HB VAL 67 HB VAL 67 1.863 -5.317 -10.059 496 1HG1 VAL 67 1HG1 VAL 67 -0.519 -4.795 -10.516 497 2HG1 VAL 67 2HG1 VAL 67 -0.017 -3.686 -11.793 498 3HG1 VAL 67 3HG1 VAL 67 0.403 -3.347 -10.113 499 1HG2 VAL 67 1HG2 VAL 67 2.061 -6.839 -11.821 500 2HG2 VAL 67 2HG2 VAL 67 1.478 -5.683 -13.018 501 3HG2 VAL 67 3HG2 VAL 67 0.345 -6.441 -11.899 502 H ASN 68 H ASN 68 2.205 -1.474 -11.426 503 HA ASN 68 HA ASN 68 3.796 -1.056 -8.938 504 1HB ASN 68 2HB ASN 68 3.009 0.696 -11.250 505 2HB ASN 68 1HB ASN 68 3.388 1.436 -9.694 506 1HD2 ASN 68 1HD2 ASN 68 5.568 1.943 -9.450 507 2HD2 ASN 68 2HD2 ASN 68 6.848 1.148 -10.233 508 HA PRO 69 HA PRO 69 0.168 -0.094 -6.634 509 1HB PRO 69 2HB PRO 69 1.229 1.705 -4.843 510 2HB PRO 69 1HB PRO 69 1.528 -0.038 -4.769 511 1HG PRO 69 2HG PRO 69 3.354 2.142 -5.660 512 2HG PRO 69 1HG PRO 69 3.750 0.548 -4.994 513 1HD PRO 69 2HD PRO 69 3.845 1.284 -7.730 514 2HD PRO 69 1HD PRO 69 3.941 -0.368 -7.084 515 H ALA 70 H ALA 70 -0.393 1.109 -8.847 516 HA ALA 70 HA ALA 70 -1.099 3.917 -8.140 517 1HB ALA 70 1HB ALA 70 -0.251 3.305 -10.951 518 2HB ALA 70 2HB ALA 70 0.990 3.592 -9.732 519 3HB ALA 70 3HB ALA 70 -0.209 4.836 -10.081 520 H GLN 71 H GLN 71 -1.567 1.301 -10.553 521 HA GLN 71 HA GLN 71 -4.083 2.272 -11.538 522 1HB GLN 71 2HB GLN 71 -2.730 -0.425 -11.572 523 2HB GLN 71 1HB GLN 71 -4.352 -0.214 -12.229 524 1HG GLN 71 2HG GLN 71 -3.622 1.187 -13.945 525 2HG GLN 71 1HG GLN 71 -2.173 1.677 -13.067 526 1HE2 GLN 71 1HE2 GLN 71 -0.390 0.036 -12.906 527 2HE2 GLN 71 2HE2 GLN 71 -0.268 -1.179 -14.086 528 HA PRO 72 HA PRO 72 -6.877 0.988 -8.381 529 1HB PRO 72 2HB PRO 72 -9.128 0.592 -9.911 530 2HB PRO 72 1HB PRO 72 -8.498 2.194 -9.491 531 1HG PRO 72 2HG PRO 72 -8.357 0.745 -12.094 532 2HG PRO 72 1HG PRO 72 -8.344 2.487 -11.778 533 1HD PRO 72 2HD PRO 72 -6.084 0.903 -12.389 534 2HD PRO 72 1HD PRO 72 -6.053 2.554 -11.734 535 H ALA 73 H ALA 73 -7.979 -0.905 -7.546 536 HA ALA 73 HA ALA 73 -6.877 -3.421 -8.160 537 1HB ALA 73 1HB ALA 73 -8.072 -2.940 -6.059 538 2HB ALA 73 2HB ALA 73 -8.727 -4.378 -6.839 539 3HB ALA 73 3HB ALA 73 -9.595 -2.846 -6.943 540 H GLY 74 H GLY 74 -9.896 -1.962 -9.393 541 1HA GLY 74 2HA GLY 74 -10.897 -4.208 -10.807 542 2HA GLY 74 1HA GLY 74 -11.209 -2.531 -11.252 543 H ASN 75 H ASN 75 -8.719 -1.603 -11.964 544 HA ASN 75 HA ASN 75 -8.347 -2.765 -14.583 545 1HB ASN 75 2HB ASN 75 -7.885 -0.327 -13.736 546 2HB ASN 75 1HB ASN 75 -6.307 -0.973 -13.285 547 1HD2 ASN 75 1HD2 ASN 75 -4.868 -1.682 -15.024 548 2HD2 ASN 75 2HD2 ASN 75 -5.174 -1.274 -16.643 549 H ILE 76 H ILE 76 -6.619 -3.075 -11.499 550 HA ILE 76 HA ILE 76 -4.274 -4.377 -12.458 551 HB ILE 76 HB ILE 76 -5.739 -4.635 -9.814 552 1HG1 ILE 76 2HG1 ILE 76 -4.797 -2.383 -10.481 553 2HG1 ILE 76 1HG1 ILE 76 -4.107 -3.046 -9.003 554 1HG2 ILE 76 1HG2 ILE 76 -2.863 -5.411 -10.313 555 2HG2 ILE 76 2HG2 ILE 76 -4.172 -6.582 -10.462 556 3HG2 ILE 76 3HG2 ILE 76 -3.872 -5.786 -8.919 557 1HD1 ILE 76 1HD1 ILE 76 -2.466 -2.059 -10.733 558 2HD1 ILE 76 2HD1 ILE 76 -2.805 -3.500 -11.690 559 3HD1 ILE 76 3HD1 ILE 76 -2.090 -3.654 -10.086 560 H PHE 77 H PHE 77 -7.443 -5.723 -11.484 561 HA PHE 77 HA PHE 77 -6.622 -8.471 -12.008 562 1HB PHE 77 2HB PHE 77 -8.536 -7.594 -10.453 563 2HB PHE 77 1HB PHE 77 -9.493 -7.572 -11.934 564 HD1 PHE 77 HD1 PHE 77 -9.635 -9.715 -13.327 565 HD2 PHE 77 HD2 PHE 77 -8.113 -9.630 -9.310 566 HE1 PHE 77 HE1 PHE 77 -9.976 -12.163 -13.146 567 HE2 PHE 77 HE2 PHE 77 -8.455 -12.079 -9.131 568 HZ PHE 77 HZ PHE 77 -9.385 -13.346 -11.048 569 H LEU 78 H LEU 78 -8.505 -6.008 -13.784 570 HA LEU 78 HA LEU 78 -9.261 -7.664 -15.991 571 1HB LEU 78 2HB LEU 78 -8.833 -4.679 -15.736 572 2HB LEU 78 1HB LEU 78 -9.379 -5.425 -17.236 573 HG LEU 78 HG LEU 78 -10.789 -5.956 -14.620 574 1HD1 LEU 78 1HD1 LEU 78 -11.013 -3.620 -14.723 575 2HD1 LEU 78 2HD1 LEU 78 -12.443 -4.184 -15.589 576 3HD1 LEU 78 3HD1 LEU 78 -11.039 -3.605 -16.486 577 1HD2 LEU 78 1HD2 LEU 78 -11.049 -7.216 -16.965 578 2HD2 LEU 78 2HD2 LEU 78 -12.089 -5.836 -17.313 579 3HD2 LEU 78 3HD2 LEU 78 -12.448 -6.888 -15.943 580 H LYS 79 H LYS 79 -6.320 -5.772 -15.359 581 HA LYS 79 HA LYS 79 -5.206 -6.403 -18.011 582 1HB LYS 79 2HB LYS 79 -4.876 -4.222 -16.568 583 2HB LYS 79 1HB LYS 79 -3.610 -5.169 -15.783 584 1HG LYS 79 2HG LYS 79 -2.435 -5.484 -17.839 585 2HG LYS 79 1HG LYS 79 -3.796 -4.889 -18.790 586 1HD LYS 79 2HD LYS 79 -3.337 -2.679 -18.324 587 2HD LYS 79 1HD LYS 79 -2.650 -3.043 -16.739 588 1HE LYS 79 2HE LYS 79 -0.781 -4.253 -18.146 589 2HE LYS 79 1HE LYS 79 -1.357 -3.212 -19.447 590 1HZ LYS 79 1HZ LYS 79 -1.141 -1.370 -17.665 591 2HZ LYS 79 2HZ LYS 79 0.254 -1.927 -18.462 592 3HZ LYS 79 3HZ LYS 79 -0.103 -2.469 -16.891 593 H HIS 80 H HIS 80 -4.212 -7.035 -14.613 594 HA HIS 80 HA HIS 80 -2.395 -9.169 -15.581 595 1HB HIS 80 2HB HIS 80 -2.795 -8.317 -12.706 596 2HB HIS 80 1HB HIS 80 -1.392 -9.110 -13.421 597 HD1 HIS 80 HD1 HIS 80 -0.256 -7.558 -15.468 598 HD2 HIS 80 HD2 HIS 80 -2.461 -5.586 -12.530 599 HE1 HIS 80 HE1 HIS 80 0.419 -5.120 -15.581 600 H GLY 81 H GLY 81 -4.793 -8.929 -12.910 601 1HA GLY 81 2HA GLY 81 -6.701 -10.612 -13.052 602 2HA GLY 81 1HA GLY 81 -5.455 -11.805 -13.418 603 H SER 82 H SER 82 -5.217 -13.089 -11.651 604 HA SER 82 HA SER 82 -5.157 -11.776 -8.960 605 1HB SER 82 2HB SER 82 -6.935 -13.631 -9.671 606 2HB SER 82 1HB SER 82 -5.617 -14.718 -9.244 607 HG SER 82 HG SER 82 -6.520 -14.393 -7.328 608 H GLU 83 H GLU 83 -3.531 -14.116 -11.088 609 HA GLU 83 HA GLU 83 -1.587 -14.969 -9.126 610 1HB GLU 83 2HB GLU 83 -1.944 -15.257 -12.072 611 2HB GLU 83 1HB GLU 83 -0.314 -15.485 -11.439 612 1HG GLU 83 2HG GLU 83 -2.598 -16.833 -10.041 613 2HG GLU 83 1HG GLU 83 -2.003 -17.524 -11.550 614 H LEU 84 H LEU 84 -0.289 -13.463 -8.183 615 HA LEU 84 HA LEU 84 1.383 -11.754 -9.962 616 1HB LEU 84 2HB LEU 84 -0.294 -10.834 -7.621 617 2HB LEU 84 1HB LEU 84 1.100 -9.913 -8.186 618 HG LEU 84 HG LEU 84 -0.664 -10.745 -10.373 619 1HD1 LEU 84 1HD1 LEU 84 -2.463 -9.131 -9.824 620 2HD1 LEU 84 2HD1 LEU 84 -1.738 -8.880 -8.237 621 3HD1 LEU 84 3HD1 LEU 84 -2.400 -10.457 -8.665 622 1HD2 LEU 84 1HD2 LEU 84 0.909 -9.109 -10.923 623 2HD2 LEU 84 2HD2 LEU 84 0.709 -8.259 -9.390 624 3HD2 LEU 84 3HD2 LEU 84 -0.531 -8.131 -10.638 625 H ARG 85 H ARG 85 3.291 -10.839 -8.716 626 HA ARG 85 HA ARG 85 4.130 -12.638 -6.470 627 1HB ARG 85 2HB ARG 85 5.234 -12.483 -9.101 628 2HB ARG 85 1HB ARG 85 6.405 -11.771 -7.994 629 1HG ARG 85 2HG ARG 85 7.029 -13.957 -7.728 630 2HG ARG 85 1HG ARG 85 5.714 -13.947 -6.554 631 1HD ARG 85 2HD ARG 85 4.362 -14.451 -8.894 632 2HD ARG 85 1HD ARG 85 5.887 -15.294 -9.171 633 HE ARG 85 HE ARG 85 4.589 -15.799 -6.573 634 1HH1 ARG 85 1HH2 ARG 85 6.612 -17.616 -7.915 635 2HH1 ARG 85 2HH2 ARG 85 5.600 -18.909 -8.466 636 1HH2 ARG 85 2HH1 ARG 85 2.644 -17.110 -8.094 637 2HH2 ARG 85 1HH1 ARG 85 3.347 -18.618 -8.574 638 H LEU 86 H LEU 86 5.502 -11.628 -4.894 639 HA LEU 86 HA LEU 86 5.498 -8.642 -5.035 640 1HB LEU 86 2HB LEU 86 4.471 -10.104 -3.057 641 2HB LEU 86 1HB LEU 86 6.145 -10.104 -2.506 642 HG LEU 86 HG LEU 86 5.144 -7.475 -3.410 643 1HD1 LEU 86 1HD1 LEU 86 3.963 -7.122 -1.200 644 2HD1 LEU 86 2HD1 LEU 86 4.013 -8.870 -0.972 645 3HD1 LEU 86 3HD1 LEU 86 3.114 -8.182 -2.324 646 1HD2 LEU 86 1HD2 LEU 86 6.300 -6.819 -1.270 647 2HD2 LEU 86 2HD2 LEU 86 7.335 -7.699 -2.395 648 3HD2 LEU 86 3HD2 LEU 86 6.649 -8.525 -0.995 649 H ILE 87 H ILE 87 7.421 -7.707 -5.502 650 HA ILE 87 HA ILE 87 9.928 -9.199 -4.821 651 HB ILE 87 HB ILE 87 10.957 -8.004 -6.774 652 1HG1 ILE 87 2HG1 ILE 87 8.266 -7.434 -7.905 653 2HG1 ILE 87 1HG1 ILE 87 8.815 -6.333 -6.642 654 1HG2 ILE 87 1HG2 ILE 87 9.223 -9.284 -8.444 655 2HG2 ILE 87 2HG2 ILE 87 8.821 -10.046 -6.905 656 3HG2 ILE 87 3HG2 ILE 87 10.476 -10.103 -7.512 657 1HD1 ILE 87 1HD1 ILE 87 10.541 -5.509 -7.917 658 2HD1 ILE 87 2HD1 ILE 87 9.458 -5.977 -9.227 659 3HD1 ILE 87 3HD1 ILE 87 10.787 -7.038 -8.761 660 HA PRO 88 HA PRO 88 11.123 -5.627 -2.518 661 1HB PRO 88 2HB PRO 88 13.817 -6.167 -2.372 662 2HB PRO 88 1HB PRO 88 12.598 -7.020 -1.411 663 1HG PRO 88 2HG PRO 88 14.118 -7.979 -3.787 664 2HG PRO 88 1HG PRO 88 13.391 -8.912 -2.468 665 1HD PRO 88 2HD PRO 88 12.312 -8.580 -5.071 666 2HD PRO 88 1HD PRO 88 11.468 -9.254 -3.661 667 H ARG 89 H ARG 89 10.641 -4.139 -4.345 668 HA ARG 89 HA ARG 89 12.891 -3.456 -6.147 669 1HB ARG 89 2HB ARG 89 10.415 -3.626 -6.863 670 2HB ARG 89 1HB ARG 89 10.190 -2.092 -6.025 671 1HG ARG 89 2HG ARG 89 12.263 -1.330 -7.457 672 2HG ARG 89 1HG ARG 89 11.809 -2.687 -8.487 673 1HD ARG 89 2HD ARG 89 10.622 -0.845 -9.394 674 2HD ARG 89 1HD ARG 89 9.422 -1.704 -8.429 675 HE ARG 89 HE ARG 89 10.870 0.542 -7.134 676 1HH1 ARG 89 1HH2 ARG 89 8.454 -0.529 -5.848 677 2HH1 ARG 89 2HH2 ARG 89 7.206 0.548 -6.383 678 1HH2 ARG 89 2HH1 ARG 89 9.084 1.850 -9.005 679 2HH2 ARG 89 1HH1 ARG 89 7.566 1.900 -8.173 680 H ASP 90 H ASP 90 14.415 -2.252 -5.046 681 HA ASP 90 HA ASP 90 13.564 -0.213 -3.084 682 1HB ASP 90 2HB ASP 90 16.102 -1.578 -3.804 683 2HB ASP 90 1HB ASP 90 16.264 0.093 -3.263 684 H ARG 91 H ARG 91 12.925 1.720 -3.899 685 HA ARG 91 HA ARG 91 14.550 2.915 -6.110 686 1HB ARG 91 2HB ARG 91 12.443 3.967 -6.953 687 2HB ARG 91 1HB ARG 91 12.425 2.209 -7.068 688 1HG ARG 91 2HG ARG 91 10.870 1.974 -5.362 689 2HG ARG 91 1HG ARG 91 11.333 3.488 -4.586 690 1HD ARG 91 2HD ARG 91 10.438 4.468 -6.930 691 2HD ARG 91 1HD ARG 91 9.451 3.011 -6.838 692 HE ARG 91 HE ARG 91 9.443 5.182 -4.781 693 1HH1 ARG 91 2HH1 ARG 91 7.460 3.750 -7.009 694 2HH1 ARG 91 1HH1 ARG 91 6.213 3.280 -5.905 695 1HH2 ARG 91 1HH2 ARG 91 8.071 4.027 -3.059 696 2HH2 ARG 91 2HH2 ARG 91 6.558 3.439 -3.665 697 H VAL 92 H VAL 92 14.794 5.201 -6.019 698 HA VAL 92 HA VAL 92 15.143 7.240 -4.928 699 HB VAL 92 HB VAL 92 12.514 6.481 -3.603 700 1HG1 VAL 92 1HG1 VAL 92 13.563 8.224 -2.305 701 2HG1 VAL 92 2HG1 VAL 92 12.335 8.990 -3.314 702 3HG1 VAL 92 3HG1 VAL 92 14.037 9.097 -3.764 703 1HG2 VAL 92 1HG2 VAL 92 12.609 6.666 -6.150 704 2HG2 VAL 92 2HG2 VAL 92 13.014 8.367 -5.919 705 3HG2 VAL 92 3HG2 VAL 92 11.465 7.742 -5.348 706 H GLY 93 H GLY 93 17.028 6.557 -3.787 707 1HA GLY 93 2HA GLY 93 17.107 5.061 -1.383 708 2HA GLY 93 1HA GLY 93 18.324 6.252 -1.851 709 H HIS 94 HN HIS 94 15.610 5.616 0.176 710 HA HIS 94 HA HIS 94 14.841 6.756 2.075 711 1HB HIS 94 2HB HIS 94 17.317 7.632 2.096 712 2HB HIS 94 1HB HIS 94 16.606 9.117 1.462 713 HD1 HIS 94 HD1 HIS 94 16.707 6.951 4.518 714 HD2 HIS 94 HD2 HIS 94 14.896 10.497 3.282 715 HE1 HIS 94 HE1 HIS 94 15.727 8.020 6.598 Start of MODEL 10 1 1H MET 1 1H MET 1 -20.575 2.374 -21.429 2 2H MET 1 2H MET 1 -20.977 3.716 -20.470 3 3H MET 1 3H MET 1 -19.349 3.318 -20.736 4 HA MET 1 HA MET 1 -19.447 3.925 -22.999 5 1HB MET 1 2HB MET 1 -21.605 4.789 -23.960 6 2HB MET 1 1HB MET 1 -21.639 3.069 -23.582 7 1HG MET 1 2HG MET 1 -22.452 4.416 -21.224 8 2HG MET 1 1HG MET 1 -23.324 5.171 -22.556 9 1HE MET 1 1HE MET 1 -26.221 3.102 -22.793 10 2HE MET 1 2HE MET 1 -25.244 4.123 -23.847 11 3HE MET 1 3HE MET 1 -25.512 4.597 -22.172 12 H SER 2 H SER 2 -19.461 6.168 -23.757 13 HA SER 2 HA SER 2 -19.444 8.076 -21.464 14 1HB SER 2 2HB SER 2 -17.903 7.829 -24.021 15 2HB SER 2 1HB SER 2 -18.115 9.430 -23.318 16 HG SER 2 HG SER 2 -16.608 8.893 -21.968 17 H GLY 3 H GLY 3 -20.912 9.740 -21.456 18 1HA GLY 3 2HA GLY 3 -22.000 11.535 -22.847 19 2HA GLY 3 1HA GLY 3 -22.403 10.263 -24.000 20 H GLY 4 H GLY 4 -23.017 11.396 -20.698 21 1HA GLY 4 2HA GLY 4 -25.344 11.576 -19.930 22 2HA GLY 4 1HA GLY 4 -25.716 10.138 -20.877 23 H THR 5 H THR 5 -24.820 8.083 -20.135 24 HA THR 5 HA THR 5 -24.465 8.069 -17.172 25 HB THR 5 HB THR 5 -25.329 5.724 -17.311 26 HG1 THR 5 HG1 THR 5 -25.801 4.862 -19.199 27 1HG2 THR 5 1HG2 THR 5 -27.279 7.464 -18.777 28 2HG2 THR 5 2HG2 THR 5 -26.747 7.941 -17.166 29 3HG2 THR 5 3HG2 THR 5 -27.556 6.392 -17.403 30 H ALA 6 H ALA 6 -22.317 7.966 -16.740 31 HA ALA 6 HA ALA 6 -20.417 6.623 -18.488 32 1HB ALA 6 1HB ALA 6 -19.005 6.893 -16.222 33 2HB ALA 6 2HB ALA 6 -20.297 8.034 -15.851 34 3HB ALA 6 3HB ALA 6 -19.304 8.264 -17.290 35 H ALA 7 H ALA 7 -20.651 4.454 -18.662 36 HA ALA 7 HA ALA 7 -21.441 2.891 -16.275 37 1HB ALA 7 1HB ALA 7 -21.824 1.060 -17.880 38 2HB ALA 7 2HB ALA 7 -21.195 2.071 -19.180 39 3HB ALA 7 3HB ALA 7 -22.688 2.521 -18.358 40 H THR 8 H THR 8 -19.818 2.187 -15.046 41 HA THR 8 HA THR 8 -17.233 1.419 -16.320 42 HB THR 8 HB THR 8 -17.919 1.893 -13.397 43 HG1 THR 8 HG1 THR 8 -17.760 3.877 -14.078 44 1HG2 THR 8 1HG2 THR 8 -15.900 0.344 -14.350 45 2HG2 THR 8 2HG2 THR 8 -15.788 1.279 -12.861 46 3HG2 THR 8 3HG2 THR 8 -15.119 1.928 -14.357 47 H THR 9 H THR 9 -17.169 -0.719 -16.804 48 HA THR 9 HA THR 9 -18.977 -2.649 -15.658 49 HB THR 9 HB THR 9 -16.408 -3.169 -17.187 50 HG1 THR 9 HG1 THR 9 -17.616 -2.004 -18.544 51 1HG2 THR 9 1HG2 THR 9 -17.462 -5.098 -15.946 52 2HG2 THR 9 2HG2 THR 9 -17.384 -5.316 -17.694 53 3HG2 THR 9 3HG2 THR 9 -18.907 -4.861 -16.931 54 H ALA 10 H ALA 10 -18.805 -3.057 -13.510 55 HA ALA 10 HA ALA 10 -16.307 -4.287 -12.533 56 1HB ALA 10 1HB ALA 10 -17.061 -1.575 -11.886 57 2HB ALA 10 2HB ALA 10 -15.632 -2.476 -11.377 58 3HB ALA 10 3HB ALA 10 -17.118 -2.570 -10.431 59 H GLY 11 H GLY 11 -16.865 -6.059 -11.372 60 1HA GLY 11 2HA GLY 11 -19.632 -6.678 -10.810 61 2HA GLY 11 1HA GLY 11 -18.240 -7.638 -10.305 62 H SER 12 H SER 12 -17.464 -7.410 -8.219 63 HA SER 12 HA SER 12 -18.680 -5.273 -6.524 64 1HB SER 12 2HB SER 12 -19.367 -7.982 -6.389 65 2HB SER 12 1HB SER 12 -18.225 -7.758 -5.067 66 HG SER 12 HG SER 12 -20.127 -7.151 -4.219 67 H LYS 13 H LYS 13 -16.326 -7.973 -6.205 68 HA LYS 13 HA LYS 13 -14.246 -5.977 -5.454 69 1HB LYS 13 2HB LYS 13 -14.906 -8.462 -3.840 70 2HB LYS 13 1HB LYS 13 -13.550 -7.377 -3.537 71 1HG LYS 13 2HG LYS 13 -15.626 -5.601 -3.606 72 2HG LYS 13 1HG LYS 13 -16.421 -7.021 -2.925 73 1HD LYS 13 2HD LYS 13 -13.744 -6.210 -1.844 74 2HD LYS 13 1HD LYS 13 -15.172 -5.305 -1.345 75 1HE LYS 13 2HE LYS 13 -16.061 -7.076 -0.182 76 2HE LYS 13 1HE LYS 13 -15.383 -8.275 -1.283 77 1HZ LYS 13 1HZ LYS 13 -13.577 -8.487 -0.027 78 2HZ LYS 13 2HZ LYS 13 -14.414 -7.635 1.181 79 3HZ LYS 13 3HZ LYS 13 -13.363 -6.812 0.129 80 H VAL 14 H VAL 14 -12.109 -6.689 -5.879 81 HA VAL 14 HA VAL 14 -11.936 -9.116 -7.617 82 HB VAL 14 HB VAL 14 -9.805 -8.004 -8.466 83 1HG1 VAL 14 1HG1 VAL 14 -11.169 -6.201 -9.738 84 2HG1 VAL 14 2HG1 VAL 14 -12.554 -6.823 -8.841 85 3HG1 VAL 14 3HG1 VAL 14 -11.654 -7.886 -9.922 86 1HG2 VAL 14 1HG2 VAL 14 -10.987 -5.536 -7.164 87 2HG2 VAL 14 2HG2 VAL 14 -9.451 -5.672 -8.019 88 3HG2 VAL 14 3HG2 VAL 14 -9.659 -6.451 -6.451 89 H THR 15 H THR 15 -10.464 -10.713 -7.097 90 HA THR 15 HA THR 15 -9.083 -10.430 -4.471 91 HB THR 15 HB THR 15 -8.828 -12.947 -4.682 92 HG1 THR 15 HG1 THR 15 -9.226 -13.671 -6.601 93 1HG2 THR 15 1HG2 THR 15 -10.612 -11.992 -3.331 94 2HG2 THR 15 2HG2 THR 15 -11.241 -13.384 -4.213 95 3HG2 THR 15 3HG2 THR 15 -11.611 -11.750 -4.765 96 H PHE 16 H PHE 16 -6.848 -10.843 -4.264 97 HA PHE 16 HA PHE 16 -5.327 -11.155 -6.823 98 1HB PHE 16 2HB PHE 16 -4.654 -9.297 -4.522 99 2HB PHE 16 1HB PHE 16 -3.639 -9.572 -5.934 100 HD1 PHE 16 HD1 PHE 16 -6.189 -7.529 -4.568 101 HD2 PHE 16 HD2 PHE 16 -4.839 -9.239 -8.270 102 HE1 PHE 16 HE1 PHE 16 -7.459 -5.810 -5.825 103 HE2 PHE 16 HE2 PHE 16 -6.110 -7.520 -9.527 104 HZ PHE 16 HZ PHE 16 -7.418 -5.806 -8.304 105 H LYS 17 H LYS 17 -3.601 -12.538 -6.719 106 HA LYS 17 HA LYS 17 -3.026 -13.817 -4.075 107 1HB LYS 17 2HB LYS 17 -4.115 -15.229 -5.941 108 2HB LYS 17 1HB LYS 17 -2.563 -15.106 -6.771 109 1HG LYS 17 2HG LYS 17 -1.855 -15.802 -4.171 110 2HG LYS 17 1HG LYS 17 -3.309 -16.752 -4.472 111 1HD LYS 17 2HD LYS 17 -1.920 -18.204 -5.524 112 2HD LYS 17 1HD LYS 17 -1.932 -17.034 -6.844 113 1HE LYS 17 2HE LYS 17 -0.053 -16.119 -4.901 114 2HE LYS 17 1HE LYS 17 0.274 -17.825 -5.197 115 1HZ LYS 17 1HZ LYS 17 1.483 -16.612 -6.800 116 2HZ LYS 17 2HZ LYS 17 0.153 -15.628 -7.186 117 3HZ LYS 17 3HZ LYS 17 0.155 -17.270 -7.627 118 H ILE 18 H ILE 18 -1.189 -12.748 -3.405 119 HA ILE 18 HA ILE 18 1.027 -12.424 -5.387 120 HB ILE 18 HB ILE 18 0.630 -10.975 -2.750 121 1HG1 ILE 18 2HG1 ILE 18 0.399 -9.165 -4.870 122 2HG1 ILE 18 1HG1 ILE 18 -0.530 -10.566 -5.402 123 1HG2 ILE 18 1HG2 ILE 18 2.560 -10.622 -5.060 124 2HG2 ILE 18 2HG2 ILE 18 2.958 -11.034 -3.392 125 3HG2 ILE 18 3HG2 ILE 18 2.339 -9.429 -3.781 126 1HD1 ILE 18 1HD1 ILE 18 -2.162 -10.191 -3.878 127 2HD1 ILE 18 2HD1 ILE 18 -1.444 -8.593 -3.685 128 3HD1 ILE 18 3HD1 ILE 18 -0.997 -9.897 -2.586 129 H THR 19 H THR 19 2.718 -13.773 -5.141 130 HA THR 19 HA THR 19 3.243 -14.935 -2.432 131 HB THR 19 HB THR 19 2.403 -16.600 -4.108 132 HG1 THR 19 HG1 THR 19 3.646 -17.932 -3.105 133 1HG2 THR 19 1HG2 THR 19 5.024 -16.103 -5.539 134 2HG2 THR 19 2HG2 THR 19 3.485 -15.431 -6.079 135 3HG2 THR 19 3HG2 THR 19 3.717 -17.178 -6.033 136 H LEU 20 H LEU 20 5.412 -14.948 -1.742 137 HA LEU 20 HA LEU 20 7.146 -12.943 -2.856 138 1HB LEU 20 2HB LEU 20 7.070 -14.541 -0.503 139 2HB LEU 20 1HB LEU 20 8.642 -14.805 -1.258 140 HG LEU 20 HG LEU 20 7.489 -12.036 -0.862 141 1HD1 LEU 20 1HD1 LEU 20 9.039 -11.924 1.122 142 2HD1 LEU 20 2HD1 LEU 20 9.254 -13.669 0.985 143 3HD1 LEU 20 3HD1 LEU 20 7.663 -13.004 1.350 144 1HD2 LEU 20 1HD2 LEU 20 10.257 -13.150 -1.411 145 2HD2 LEU 20 2HD2 LEU 20 9.949 -11.464 -1.001 146 3HD2 LEU 20 3HD2 LEU 20 9.282 -12.143 -2.485 147 H THR 21 H THR 21 8.344 -13.126 -4.661 148 HA THR 21 HA THR 21 9.049 -15.831 -5.672 149 HB THR 21 HB THR 21 7.892 -14.222 -7.197 150 HG1 THR 21 HG1 THR 21 8.940 -15.266 -8.657 151 1HG2 THR 21 1HG2 THR 21 9.556 -12.332 -6.114 152 2HG2 THR 21 2HG2 THR 21 8.663 -12.129 -7.620 153 3HG2 THR 21 3HG2 THR 21 10.346 -12.654 -7.659 154 H SER 22 H SER 22 10.529 -12.896 -4.408 155 HA SER 22 HA SER 22 13.219 -13.422 -5.295 156 1HB SER 22 2HB SER 22 11.878 -11.525 -3.537 157 2HB SER 22 1HB SER 22 13.420 -12.044 -2.865 158 HG SER 22 HG SER 22 13.120 -10.249 -4.657 159 H ASP 23 H ASP 23 11.421 -14.300 -2.353 160 HA ASP 23 HA ASP 23 13.673 -15.582 -1.049 161 1HB ASP 23 2HB ASP 23 10.716 -15.419 -0.600 162 2HB ASP 23 1HB ASP 23 11.611 -16.698 0.217 163 HA PRO 24 HA PRO 24 13.538 -19.581 -2.870 164 1HB PRO 24 2HB PRO 24 13.969 -21.204 -0.684 165 2HB PRO 24 1HB PRO 24 15.232 -20.230 -1.455 166 1HG PRO 24 2HG PRO 24 13.800 -19.754 1.121 167 2HG PRO 24 1HG PRO 24 15.426 -19.247 0.629 168 1HD PRO 24 2HD PRO 24 13.143 -17.593 0.683 169 2HD PRO 24 1HD PRO 24 14.666 -17.230 -0.155 170 H LYS 25 H LYS 25 11.384 -19.008 -0.141 171 HA LYS 25 HA LYS 25 9.726 -21.375 -0.720 172 1HB LYS 25 2HB LYS 25 9.862 -19.284 1.377 173 2HB LYS 25 1HB LYS 25 8.251 -19.905 1.024 174 1HG LYS 25 2HG LYS 25 9.173 -22.237 1.284 175 2HG LYS 25 1HG LYS 25 10.684 -21.517 1.837 176 1HD LYS 25 2HD LYS 25 8.015 -21.585 3.188 177 2HD LYS 25 1HD LYS 25 9.619 -21.852 3.870 178 1HE LYS 25 2HE LYS 25 9.904 -19.280 3.133 179 2HE LYS 25 1HE LYS 25 8.162 -19.293 3.387 180 1HZ LYS 25 1HZ LYS 25 8.390 -19.606 5.590 181 2HZ LYS 25 2HZ LYS 25 9.900 -18.874 5.329 182 3HZ LYS 25 3HZ LYS 25 9.778 -20.565 5.440 183 H LEU 26 H LEU 26 7.178 -20.582 -0.549 184 HA LEU 26 HA LEU 26 6.718 -18.299 -2.377 185 1HB LEU 26 2HB LEU 26 6.294 -21.177 -3.040 186 2HB LEU 26 1HB LEU 26 5.039 -20.047 -3.549 187 HG LEU 26 HG LEU 26 7.559 -18.849 -4.146 188 1HD1 LEU 26 1HD1 LEU 26 7.276 -21.655 -5.264 189 2HD1 LEU 26 2HD1 LEU 26 8.435 -21.192 -4.018 190 3HD1 LEU 26 3HD1 LEU 26 8.555 -20.501 -5.636 191 1HD2 LEU 26 1HD2 LEU 26 6.674 -19.156 -6.510 192 2HD2 LEU 26 2HD2 LEU 26 5.555 -18.371 -5.396 193 3HD2 LEU 26 3HD2 LEU 26 5.338 -20.072 -5.809 194 HA PRO 27 HA PRO 27 3.594 -18.811 1.017 195 1HB PRO 27 2HB PRO 27 4.046 -16.344 2.159 196 2HB PRO 27 1HB PRO 27 4.906 -17.819 2.636 197 1HG PRO 27 2HG PRO 27 5.886 -15.517 1.019 198 2HG PRO 27 1HG PRO 27 6.802 -16.661 2.011 199 1HD PRO 27 2HD PRO 27 6.585 -16.716 -0.813 200 2HD PRO 27 1HD PRO 27 7.224 -18.015 0.215 201 H PHE 28 H PHE 28 1.922 -18.637 -0.542 202 HA PHE 28 HA PHE 28 1.408 -16.249 -2.072 203 1HB PHE 28 2HB PHE 28 -0.642 -17.330 -2.769 204 2HB PHE 28 1HB PHE 28 0.632 -18.544 -2.723 205 HD1 PHE 28 HD1 PHE 28 -2.440 -17.312 -1.099 206 HD2 PHE 28 HD2 PHE 28 0.646 -20.301 -1.014 207 HE1 PHE 28 HE1 PHE 28 -3.800 -18.674 0.464 208 HE2 PHE 28 HE2 PHE 28 -0.714 -21.660 0.551 209 HZ PHE 28 HZ PHE 28 -2.937 -20.846 1.289 210 H LYS 29 H LYS 29 -0.328 -14.754 -1.837 211 HA LYS 29 HA LYS 29 -1.583 -14.595 0.866 212 1HB LYS 29 2HB LYS 29 0.434 -12.829 -0.227 213 2HB LYS 29 1HB LYS 29 -1.070 -11.943 0.020 214 1HG LYS 29 2HG LYS 29 -0.631 -13.664 2.278 215 2HG LYS 29 1HG LYS 29 0.832 -12.725 1.986 216 1HD LYS 29 2HD LYS 29 -0.272 -11.135 3.197 217 2HD LYS 29 1HD LYS 29 -1.042 -10.792 1.650 218 1HE LYS 29 2HE LYS 29 -2.508 -12.933 2.714 219 2HE LYS 29 1HE LYS 29 -2.217 -11.861 4.085 220 1HZ LYS 29 1HZ LYS 29 -3.019 -10.007 2.683 221 2HZ LYS 29 2HZ LYS 29 -4.208 -11.183 2.984 222 3HZ LYS 29 3HZ LYS 29 -3.428 -11.126 1.476 223 H VAL 30 H VAL 30 -3.760 -14.364 0.623 224 HA VAL 30 HA VAL 30 -4.802 -13.501 -2.028 225 HB VAL 30 HB VAL 30 -6.276 -14.758 0.310 226 1HG1 VAL 30 1HG1 VAL 30 -7.037 -14.044 -2.526 227 2HG1 VAL 30 2HG1 VAL 30 -7.873 -13.628 -1.030 228 3HG1 VAL 30 3HG1 VAL 30 -7.905 -15.288 -1.625 229 1HG2 VAL 30 1HG2 VAL 30 -4.599 -16.297 -0.608 230 2HG2 VAL 30 2HG2 VAL 30 -5.168 -15.972 -2.246 231 3HG2 VAL 30 3HG2 VAL 30 -6.212 -16.815 -1.100 232 H LEU 31 H LEU 31 -5.400 -11.416 -2.232 233 HA LEU 31 HA LEU 31 -6.322 -9.946 0.208 234 1HB LEU 31 2HB LEU 31 -4.330 -9.304 -1.786 235 2HB LEU 31 1HB LEU 31 -5.607 -8.089 -1.804 236 HG LEU 31 HG LEU 31 -4.791 -8.890 0.906 237 1HD1 LEU 31 1HD1 LEU 31 -2.613 -7.991 0.919 238 2HD1 LEU 31 2HD1 LEU 31 -2.830 -7.204 -0.644 239 3HD1 LEU 31 3HD1 LEU 31 -2.641 -8.955 -0.559 240 1HD2 LEU 31 1HD2 LEU 31 -4.638 -6.117 -0.229 241 2HD2 LEU 31 2HD2 LEU 31 -5.209 -6.645 1.354 242 3HD2 LEU 31 3HD2 LEU 31 -6.221 -6.877 -0.072 243 H SER 32 H SER 32 -8.501 -9.723 0.143 244 HA SER 32 HA SER 32 -9.849 -9.480 -2.505 245 1HB SER 32 2HB SER 32 -10.534 -11.197 -0.651 246 2HB SER 32 1HB SER 32 -11.290 -9.806 0.120 247 HG SER 32 HG SER 32 -12.626 -11.046 -1.394 248 H VAL 33 H VAL 33 -10.078 -7.398 -3.122 249 HA VAL 33 HA VAL 33 -11.165 -5.443 -1.147 250 HB VAL 33 HB VAL 33 -9.674 -3.688 -2.168 251 1HG1 VAL 33 1HG1 VAL 33 -7.544 -4.604 -1.055 252 2HG1 VAL 33 2HG1 VAL 33 -8.489 -6.052 -0.709 253 3HG1 VAL 33 3HG1 VAL 33 -8.987 -4.496 -0.046 254 1HG2 VAL 33 1HG2 VAL 33 -7.652 -4.522 -3.383 255 2HG2 VAL 33 2HG2 VAL 33 -9.146 -4.802 -4.276 256 3HG2 VAL 33 3HG2 VAL 33 -8.372 -6.132 -3.414 257 HA PRO 34 HA PRO 34 -13.898 -4.403 -4.429 258 1HB PRO 34 2HB PRO 34 -14.381 -1.755 -3.847 259 2HB PRO 34 1HB PRO 34 -15.077 -3.107 -2.937 260 1HG PRO 34 2HG PRO 34 -12.840 -1.281 -2.175 261 2HG PRO 34 1HG PRO 34 -13.988 -2.144 -1.137 262 1HD PRO 34 2HD PRO 34 -11.326 -2.923 -1.612 263 2HD PRO 34 1HD PRO 34 -12.600 -3.963 -0.938 264 H GLU 35 H GLU 35 -14.081 -3.087 -6.402 265 HA GLU 35 HA GLU 35 -11.620 -2.627 -7.749 266 1HB GLU 35 2HB GLU 35 -14.474 -1.841 -8.301 267 2HB GLU 35 1HB GLU 35 -13.177 -1.254 -9.342 268 1HG GLU 35 2HG GLU 35 -13.712 -3.237 -10.426 269 2HG GLU 35 1HG GLU 35 -12.450 -3.803 -9.333 270 H SER 36 H SER 36 -13.627 -0.461 -5.818 271 HA SER 36 HA SER 36 -12.499 2.032 -6.643 272 1HB SER 36 2HB SER 36 -14.343 1.140 -4.674 273 2HB SER 36 1HB SER 36 -13.109 2.067 -3.827 274 HG SER 36 HG SER 36 -15.091 3.062 -5.089 275 H THR 37 H THR 37 -11.462 -0.337 -4.192 276 HA THR 37 HA THR 37 -9.368 1.233 -3.035 277 HB THR 37 HB THR 37 -9.591 -1.782 -3.323 278 HG1 THR 37 HG1 THR 37 -10.351 0.043 -1.290 279 1HG2 THR 37 1HG2 THR 37 -7.918 -1.976 -1.649 280 2HG2 THR 37 2HG2 THR 37 -7.996 -0.258 -1.260 281 3HG2 THR 37 3HG2 THR 37 -7.284 -0.784 -2.785 282 HA PRO 38 HA PRO 38 -6.649 1.152 -6.565 283 1HB PRO 38 2HB PRO 38 -4.707 2.719 -5.411 284 2HB PRO 38 1HB PRO 38 -6.202 3.365 -6.108 285 1HG PRO 38 2HG PRO 38 -5.457 3.044 -3.239 286 2HG PRO 38 1HG PRO 38 -6.578 4.195 -3.986 287 1HD PRO 38 2HD PRO 38 -7.300 1.837 -2.594 288 2HD PRO 38 1HD PRO 38 -8.372 2.820 -3.614 289 H PHE 39 H PHE 39 -4.365 0.467 -6.981 290 HA PHE 39 HA PHE 39 -3.659 -1.915 -5.540 291 1HB PHE 39 2HB PHE 39 -3.057 -1.096 -7.998 292 2HB PHE 39 1HB PHE 39 -1.614 -0.479 -7.192 293 HD1 PHE 39 HD1 PHE 39 0.215 -1.919 -7.253 294 HD2 PHE 39 HD2 PHE 39 -3.739 -3.580 -6.988 295 HE1 PHE 39 HE1 PHE 39 1.175 -4.204 -7.227 296 HE2 PHE 39 HE2 PHE 39 -2.776 -5.865 -6.962 297 HZ PHE 39 HZ PHE 39 -0.320 -6.177 -7.080 298 H THR 40 H THR 40 -2.962 1.430 -4.949 299 HA THR 40 HA THR 40 -0.464 1.222 -3.576 300 HB THR 40 HB THR 40 -1.653 3.200 -2.178 301 HG1 THR 40 HG1 THR 40 -3.267 4.130 -3.349 302 1HG2 THR 40 1HG2 THR 40 -0.865 3.489 -5.082 303 2HG2 THR 40 2HG2 THR 40 0.282 3.365 -3.748 304 3HG2 THR 40 3HG2 THR 40 -0.814 4.744 -3.846 305 H ALA 41 H ALA 41 -3.826 0.968 -2.405 306 HA ALA 41 HA ALA 41 -3.057 0.308 0.316 307 1HB ALA 41 1HB ALA 41 -5.218 1.271 0.050 308 2HB ALA 41 2HB ALA 41 -5.514 -0.421 0.446 309 3HB ALA 41 3HB ALA 41 -5.653 0.131 -1.223 310 H VAL 42 H VAL 42 -3.954 -1.571 -2.579 311 HA VAL 42 HA VAL 42 -4.122 -4.137 -1.317 312 HB VAL 42 HB VAL 42 -3.229 -3.459 -4.141 313 1HG1 VAL 42 1HG1 VAL 42 -2.886 -5.673 -4.374 314 2HG1 VAL 42 2HG1 VAL 42 -4.584 -5.948 -3.989 315 3HG1 VAL 42 3HG1 VAL 42 -3.378 -5.954 -2.703 316 1HG2 VAL 42 1HG2 VAL 42 -5.766 -3.225 -2.815 317 2HG2 VAL 42 2HG2 VAL 42 -5.871 -4.531 -3.994 318 3HG2 VAL 42 3HG2 VAL 42 -5.386 -2.917 -4.511 319 H LEU 43 H LEU 43 -1.376 -2.626 -3.061 320 HA LEU 43 HA LEU 43 0.562 -4.622 -2.408 321 1HB LEU 43 2HB LEU 43 0.732 -2.698 -4.123 322 2HB LEU 43 1HB LEU 43 1.191 -1.683 -2.758 323 HG LEU 43 HG LEU 43 2.652 -4.229 -2.843 324 1HD1 LEU 43 1HD1 LEU 43 2.239 -3.458 -5.331 325 2HD1 LEU 43 2HD1 LEU 43 3.854 -3.950 -4.823 326 3HD1 LEU 43 3HD1 LEU 43 3.454 -2.237 -4.946 327 1HD2 LEU 43 1HD2 LEU 43 3.722 -1.402 -2.936 328 2HD2 LEU 43 2HD2 LEU 43 4.483 -2.831 -2.239 329 3HD2 LEU 43 3HD2 LEU 43 3.082 -2.106 -1.450 330 H LYS 44 H LYS 44 -0.585 -1.762 -0.681 331 HA LYS 44 HA LYS 44 1.397 -1.633 1.360 332 1HB LYS 44 2HB LYS 44 -1.165 -0.449 0.800 333 2HB LYS 44 1HB LYS 44 -1.126 -0.958 2.486 334 1HG LYS 44 2HG LYS 44 1.389 0.182 2.019 335 2HG LYS 44 1HG LYS 44 0.243 1.253 1.212 336 1HD LYS 44 2HD LYS 44 -1.020 1.574 3.213 337 2HD LYS 44 1HD LYS 44 -0.184 0.253 4.032 338 1HE LYS 44 2HE LYS 44 1.262 2.712 3.031 339 2HE LYS 44 1HE LYS 44 0.582 2.607 4.654 340 1HZ LYS 44 1HZ LYS 44 2.584 0.743 3.490 341 2HZ LYS 44 2HZ LYS 44 1.920 0.630 5.050 342 3HZ LYS 44 3HZ LYS 44 2.905 1.952 4.635 343 H PHE 45 H PHE 45 -1.809 -3.228 1.400 344 HA PHE 45 HA PHE 45 -1.490 -4.476 3.953 345 1HB PHE 45 2HB PHE 45 -3.528 -4.259 2.088 346 2HB PHE 45 1HB PHE 45 -3.140 -5.979 2.049 347 HD1 PHE 45 HD1 PHE 45 -4.167 -7.366 3.610 348 HD2 PHE 45 HD2 PHE 45 -3.602 -3.215 4.550 349 HE1 PHE 45 HE1 PHE 45 -5.364 -7.689 5.758 350 HE2 PHE 45 HE2 PHE 45 -4.799 -3.536 6.697 351 HZ PHE 45 HZ PHE 45 -5.680 -5.774 7.302 352 H ALA 46 H ALA 46 -0.856 -5.691 0.649 353 HA ALA 46 HA ALA 46 -0.121 -8.346 1.375 354 1HB ALA 46 1HB ALA 46 -0.515 -7.709 -0.957 355 2HB ALA 46 2HB ALA 46 1.109 -8.375 -0.789 356 3HB ALA 46 3HB ALA 46 0.881 -6.631 -0.921 357 H ALA 47 H ALA 47 1.931 -5.440 0.929 358 HA ALA 47 HA ALA 47 4.407 -6.685 1.630 359 1HB ALA 47 1HB ALA 47 5.295 -4.474 1.801 360 2HB ALA 47 2HB ALA 47 3.713 -3.791 2.171 361 3HB ALA 47 3HB ALA 47 4.056 -4.392 0.549 362 H GLU 48 H GLU 48 1.909 -5.112 3.616 363 HA GLU 48 HA GLU 48 3.322 -5.055 6.088 364 1HB GLU 48 2HB GLU 48 1.087 -3.960 5.576 365 2HB GLU 48 1HB GLU 48 0.349 -5.550 5.769 366 1HG GLU 48 2HG GLU 48 2.080 -5.106 8.004 367 2HG GLU 48 1HG GLU 48 1.061 -3.680 7.812 368 H GLU 49 H GLU 49 1.189 -7.584 4.711 369 HA GLU 49 HA GLU 49 1.595 -9.420 6.920 370 1HB GLU 49 2HB GLU 49 0.375 -9.587 4.187 371 2HB GLU 49 1HB GLU 49 0.762 -11.085 5.031 372 1HG GLU 49 2HG GLU 49 -1.330 -10.781 5.915 373 2HG GLU 49 1HG GLU 49 -0.449 -9.750 7.043 374 H PHE 50 H PHE 50 3.188 -8.867 3.808 375 HA PHE 50 HA PHE 50 4.826 -11.264 3.896 376 1HB PHE 50 2HB PHE 50 4.638 -8.825 2.205 377 2HB PHE 50 1HB PHE 50 6.206 -9.629 2.241 378 HD1 PHE 50 HD1 PHE 50 3.042 -9.579 0.673 379 HD2 PHE 50 HD2 PHE 50 6.098 -12.280 2.017 380 HE1 PHE 50 HE1 PHE 50 2.201 -11.307 -0.891 381 HE2 PHE 50 HE2 PHE 50 5.255 -14.007 0.450 382 HZ PHE 50 HZ PHE 50 3.310 -13.521 -1.003 383 H LYS 51 H LYS 51 4.915 -8.432 5.742 384 HA LYS 51 HA LYS 51 6.458 -7.654 7.302 385 1HB LYS 51 2HB LYS 51 7.023 -10.354 7.095 386 2HB LYS 51 1HB LYS 51 8.585 -9.603 6.767 387 1HG LYS 51 2HG LYS 51 7.998 -8.103 8.833 388 2HG LYS 51 1HG LYS 51 6.871 -9.401 9.227 389 1HD LYS 51 2HD LYS 51 8.543 -10.891 9.707 390 2HD LYS 51 1HD LYS 51 9.626 -10.232 8.479 391 1HE LYS 51 2HE LYS 51 9.970 -8.224 9.926 392 2HE LYS 51 1HE LYS 51 8.993 -8.998 11.174 393 1HZ LYS 51 1HZ LYS 51 11.281 -9.431 11.619 394 2HZ LYS 51 2HZ LYS 51 11.549 -9.991 10.037 395 3HZ LYS 51 3HZ LYS 51 10.571 -10.883 11.103 396 H VAL 52 H VAL 52 6.458 -6.641 4.631 397 HA VAL 52 HA VAL 52 9.292 -5.725 4.457 398 HB VAL 52 HB VAL 52 9.017 -5.690 1.935 399 1HG1 VAL 52 1HG1 VAL 52 9.510 -7.935 3.700 400 2HG1 VAL 52 2HG1 VAL 52 10.310 -7.513 2.187 401 3HG1 VAL 52 3HG1 VAL 52 8.841 -8.489 2.165 402 1HG2 VAL 52 1HG2 VAL 52 6.625 -5.830 1.712 403 2HG2 VAL 52 2HG2 VAL 52 6.560 -7.305 2.678 404 3HG2 VAL 52 3HG2 VAL 52 7.284 -7.334 1.072 405 HA PRO 53 HA PRO 53 7.467 -1.733 4.245 406 1HB PRO 53 2HB PRO 53 9.407 -0.390 2.832 407 2HB PRO 53 1HB PRO 53 9.560 -0.849 4.536 408 1HG PRO 53 2HG PRO 53 10.851 -2.071 2.138 409 2HG PRO 53 1HG PRO 53 11.417 -2.031 3.816 410 1HD PRO 53 2HD PRO 53 10.208 -4.242 2.543 411 2HD PRO 53 1HD PRO 53 10.441 -4.052 4.295 412 H ALA 54 H ALA 54 5.799 -1.118 2.980 413 HA ALA 54 HA ALA 54 5.504 -1.945 0.224 414 1HB ALA 54 1HB ALA 54 3.689 0.152 0.699 415 2HB ALA 54 2HB ALA 54 3.880 -0.660 2.254 416 3HB ALA 54 3HB ALA 54 3.368 -1.577 0.838 417 H ALA 55 H ALA 55 6.618 1.021 1.788 418 HA ALA 55 HA ALA 55 6.461 2.810 -0.411 419 1HB ALA 55 1HB ALA 55 8.568 2.682 1.770 420 2HB ALA 55 2HB ALA 55 7.029 3.538 1.877 421 3HB ALA 55 3HB ALA 55 8.258 4.071 0.728 422 H THR 56 H THR 56 8.966 0.422 0.445 423 HA THR 56 HA THR 56 10.268 0.979 -2.191 424 HB THR 56 HB THR 56 12.316 -0.057 -1.148 425 HG1 THR 56 HG1 THR 56 12.107 -0.941 0.723 426 1HG2 THR 56 1HG2 THR 56 11.404 2.246 0.555 427 2HG2 THR 56 2HG2 THR 56 11.660 2.468 -1.176 428 3HG2 THR 56 3HG2 THR 56 12.994 1.948 -0.148 429 H SER 57 H SER 57 8.028 -0.641 -2.210 430 HA SER 57 HA SER 57 9.229 -3.285 -2.866 431 1HB SER 57 2HB SER 57 7.066 -2.740 -0.896 432 2HB SER 57 1HB SER 57 6.852 -4.134 -1.946 433 HG SER 57 HG SER 57 8.069 -4.410 0.114 434 H ALA 58 H ALA 58 7.950 -4.501 -4.411 435 HA ALA 58 HA ALA 58 5.772 -3.020 -5.787 436 1HB ALA 58 1HB ALA 58 7.739 -2.352 -7.030 437 2HB ALA 58 2HB ALA 58 6.868 -3.540 -7.999 438 3HB ALA 58 3HB ALA 58 8.312 -4.019 -7.108 439 H ILE 59 H ILE 59 4.687 -4.485 -7.442 440 HA ILE 59 HA ILE 59 4.916 -7.360 -6.638 441 HB ILE 59 HB ILE 59 2.491 -5.597 -6.893 442 1HG1 ILE 59 2HG1 ILE 59 3.064 -7.882 -4.993 443 2HG1 ILE 59 1HG1 ILE 59 3.653 -6.246 -4.697 444 1HG2 ILE 59 1HG2 ILE 59 2.703 -8.512 -7.591 445 2HG2 ILE 59 2HG2 ILE 59 1.733 -7.251 -8.351 446 3HG2 ILE 59 3HG2 ILE 59 1.243 -7.921 -6.795 447 1HD1 ILE 59 1HD1 ILE 59 1.285 -5.427 -4.903 448 2HD1 ILE 59 2HD1 ILE 59 1.540 -6.511 -3.536 449 3HD1 ILE 59 3HD1 ILE 59 0.762 -7.109 -5.001 450 H ILE 60 H ILE 60 5.455 -8.591 -8.372 451 HA ILE 60 HA ILE 60 4.941 -7.505 -11.095 452 HB ILE 60 HB ILE 60 6.535 -9.228 -11.871 453 1HG1 ILE 60 2HG1 ILE 60 7.570 -9.972 -9.258 454 2HG1 ILE 60 1HG1 ILE 60 5.889 -10.473 -9.431 455 1HG2 ILE 60 1HG2 ILE 60 7.885 -7.448 -11.487 456 2HG2 ILE 60 2HG2 ILE 60 8.426 -8.353 -10.075 457 3HG2 ILE 60 3HG2 ILE 60 7.168 -7.128 -9.908 458 1HD1 ILE 60 1HD1 ILE 60 6.390 -11.654 -11.491 459 2HD1 ILE 60 2HD1 ILE 60 7.530 -12.188 -10.255 460 3HD1 ILE 60 3HD1 ILE 60 8.042 -11.036 -11.488 461 H THR 61 H THR 61 4.408 -9.328 -12.763 462 HA THR 61 HA THR 61 2.125 -10.888 -11.648 463 HB THR 61 HB THR 61 2.735 -10.299 -14.562 464 HG1 THR 61 HG1 THR 61 1.403 -8.563 -14.351 465 1HG2 THR 61 1HG2 THR 61 1.189 -12.199 -14.055 466 2HG2 THR 61 2HG2 THR 61 0.394 -10.874 -14.904 467 3HG2 THR 61 3HG2 THR 61 0.157 -11.077 -13.169 468 H ASN 62 H ASN 62 1.847 -13.115 -12.334 469 HA ASN 62 HA ASN 62 4.153 -14.741 -12.168 470 1HB ASN 62 2HB ASN 62 1.318 -15.186 -13.001 471 2HB ASN 62 1HB ASN 62 2.492 -16.449 -13.367 472 1HD2 ASN 62 1HD2 ASN 62 3.012 -17.861 -11.668 473 2HD2 ASN 62 2HD2 ASN 62 2.626 -17.586 -10.038 474 H ASP 63 H ASP 63 2.723 -13.192 -14.976 475 HA ASP 63 HA ASP 63 4.146 -14.851 -16.920 476 1HB ASP 63 2HB ASP 63 2.679 -12.207 -17.187 477 2HB ASP 63 1HB ASP 63 3.367 -13.098 -18.545 478 H GLY 64 H GLY 64 4.490 -11.484 -15.726 479 1HA GLY 64 2HA GLY 64 7.085 -11.157 -15.241 480 2HA GLY 64 1HA GLY 64 7.174 -11.336 -16.993 481 H VAL 65 H VAL 65 5.033 -9.549 -14.732 482 HA VAL 65 HA VAL 65 5.647 -7.061 -16.269 483 HB VAL 65 HB VAL 65 2.893 -7.855 -15.271 484 1HG1 VAL 65 1HG1 VAL 65 4.095 -5.378 -16.264 485 2HG1 VAL 65 2HG1 VAL 65 2.550 -5.627 -15.451 486 3HG1 VAL 65 3HG1 VAL 65 2.676 -5.861 -17.194 487 1HG2 VAL 65 1HG2 VAL 65 4.152 -7.952 -18.023 488 2HG2 VAL 65 2HG2 VAL 65 2.406 -7.957 -17.777 489 3HG2 VAL 65 3HG2 VAL 65 3.389 -9.275 -17.139 490 H GLY 66 H GLY 66 6.547 -5.652 -14.856 491 1HA GLY 66 2HA GLY 66 6.356 -5.978 -11.984 492 2HA GLY 66 1HA GLY 66 7.156 -4.648 -12.822 493 H VAL 67 H VAL 67 4.074 -5.817 -11.609 494 HA VAL 67 HA VAL 67 2.534 -3.480 -12.356 495 HB VAL 67 HB VAL 67 1.931 -5.392 -10.081 496 1HG1 VAL 67 1HG1 VAL 67 0.639 -3.105 -10.852 497 2HG1 VAL 67 2HG1 VAL 67 -0.149 -4.472 -10.063 498 3HG1 VAL 67 3HG1 VAL 67 -0.200 -4.318 -11.819 499 1HG2 VAL 67 1HG2 VAL 67 0.519 -6.026 -12.498 500 2HG2 VAL 67 2HG2 VAL 67 1.620 -7.048 -11.578 501 3HG2 VAL 67 3HG2 VAL 67 2.246 -6.001 -12.850 502 H ASN 68 H ASN 68 2.422 -1.542 -11.338 503 HA ASN 68 HA ASN 68 3.851 -1.247 -8.730 504 1HB ASN 68 2HB ASN 68 3.377 0.597 -11.059 505 2HB ASN 68 1HB ASN 68 3.693 1.270 -9.460 506 1HD2 ASN 68 1HD2 ASN 68 5.843 1.055 -8.587 507 2HD2 ASN 68 2HD2 ASN 68 7.131 0.412 -9.485 508 HA PRO 69 HA PRO 69 0.091 -0.103 -6.751 509 1HB PRO 69 2HB PRO 69 1.076 1.617 -4.841 510 2HB PRO 69 1HB PRO 69 1.266 -0.142 -4.767 511 1HG PRO 69 2HG PRO 69 3.291 1.936 -5.447 512 2HG PRO 69 1HG PRO 69 3.528 0.315 -4.772 513 1HD PRO 69 2HD PRO 69 3.926 1.072 -7.476 514 2HD PRO 69 1HD PRO 69 3.864 -0.589 -6.850 515 H ALA 70 H ALA 70 -0.188 1.153 -8.987 516 HA ALA 70 HA ALA 70 -0.760 4.003 -8.308 517 1HB ALA 70 1HB ALA 70 1.378 3.603 -9.729 518 2HB ALA 70 2HB ALA 70 0.230 4.827 -10.271 519 3HB ALA 70 3HB ALA 70 0.252 3.240 -11.039 520 H GLN 71 H GLN 71 -1.712 1.087 -10.008 521 HA GLN 71 HA GLN 71 -3.974 2.474 -11.334 522 1HB GLN 71 2HB GLN 71 -2.909 -0.357 -11.475 523 2HB GLN 71 1HB GLN 71 -4.383 0.155 -12.294 524 1HG GLN 71 2HG GLN 71 -3.237 1.245 -13.917 525 2HG GLN 71 1HG GLN 71 -2.105 1.951 -12.760 526 1HE2 GLN 71 1HE2 GLN 71 -0.178 0.686 -12.189 527 2HE2 GLN 71 2HE2 GLN 71 0.318 -0.630 -13.138 528 HA PRO 72 HA PRO 72 -6.960 1.122 -8.390 529 1HB PRO 72 2HB PRO 72 -9.124 0.665 -10.027 530 2HB PRO 72 1HB PRO 72 -8.544 2.283 -9.592 531 1HG PRO 72 2HG PRO 72 -8.245 0.810 -12.169 532 2HG PRO 72 1HG PRO 72 -8.282 2.556 -11.872 533 1HD PRO 72 2HD PRO 72 -5.963 1.016 -12.352 534 2HD PRO 72 1HD PRO 72 -5.997 2.671 -11.708 535 H ALA 73 H ALA 73 -8.008 -0.777 -7.553 536 HA ALA 73 HA ALA 73 -6.850 -3.285 -8.135 537 1HB ALA 73 1HB ALA 73 -9.039 -4.154 -6.971 538 2HB ALA 73 2HB ALA 73 -9.350 -2.441 -6.698 539 3HB ALA 73 3HB ALA 73 -7.889 -3.188 -6.049 540 H GLY 74 H GLY 74 -9.893 -1.885 -9.373 541 1HA GLY 74 2HA GLY 74 -10.868 -4.177 -10.741 542 2HA GLY 74 1HA GLY 74 -11.226 -2.512 -11.198 543 H ASN 75 H ASN 75 -8.731 -1.554 -11.917 544 HA ASN 75 HA ASN 75 -8.385 -2.683 -14.551 545 1HB ASN 75 2HB ASN 75 -7.892 -0.262 -13.639 546 2HB ASN 75 1HB ASN 75 -6.305 -0.937 -13.266 547 1HD2 ASN 75 1HD2 ASN 75 -4.855 -1.286 -15.018 548 2HD2 ASN 75 2HD2 ASN 75 -5.251 -0.967 -16.637 549 H ILE 76 H ILE 76 -6.561 -2.974 -11.509 550 HA ILE 76 HA ILE 76 -4.293 -4.363 -12.552 551 HB ILE 76 HB ILE 76 -5.596 -4.500 -9.814 552 1HG1 ILE 76 2HG1 ILE 76 -4.700 -2.271 -10.634 553 2HG1 ILE 76 1HG1 ILE 76 -3.943 -2.871 -9.162 554 1HG2 ILE 76 1HG2 ILE 76 -2.986 -5.134 -9.397 555 2HG2 ILE 76 2HG2 ILE 76 -3.240 -5.881 -10.973 556 3HG2 ILE 76 3HG2 ILE 76 -4.255 -6.341 -9.608 557 1HD1 ILE 76 1HD1 ILE 76 -2.327 -1.976 -10.898 558 2HD1 ILE 76 2HD1 ILE 76 -2.788 -3.335 -11.924 559 3HD1 ILE 76 3HD1 ILE 76 -2.006 -3.629 -10.372 560 H PHE 77 H PHE 77 -7.436 -5.553 -11.353 561 HA PHE 77 HA PHE 77 -6.762 -8.355 -11.725 562 1HB PHE 77 2HB PHE 77 -8.577 -7.368 -10.185 563 2HB PHE 77 1HB PHE 77 -9.561 -7.215 -11.640 564 HD1 PHE 77 HD1 PHE 77 -7.849 -9.603 -9.385 565 HD2 PHE 77 HD2 PHE 77 -10.474 -9.157 -12.755 566 HE1 PHE 77 HE1 PHE 77 -8.457 -12.003 -9.230 567 HE2 PHE 77 HE2 PHE 77 -11.082 -11.555 -12.598 568 HZ PHE 77 HZ PHE 77 -10.073 -12.978 -10.836 569 H LEU 78 H LEU 78 -8.482 -5.905 -13.661 570 HA LEU 78 HA LEU 78 -9.364 -7.677 -15.741 571 1HB LEU 78 2HB LEU 78 -8.848 -4.700 -15.640 572 2HB LEU 78 1HB LEU 78 -9.385 -5.496 -17.120 573 HG LEU 78 HG LEU 78 -10.850 -5.851 -14.500 574 1HD1 LEU 78 1HD1 LEU 78 -12.395 -4.085 -15.253 575 2HD1 LEU 78 2HD1 LEU 78 -11.371 -3.781 -16.656 576 3HD1 LEU 78 3HD1 LEU 78 -10.768 -3.438 -15.035 577 1HD2 LEU 78 1HD2 LEU 78 -12.735 -6.324 -16.124 578 2HD2 LEU 78 2HD2 LEU 78 -11.412 -7.487 -16.191 579 3HD2 LEU 78 3HD2 LEU 78 -11.550 -6.237 -17.428 580 H LYS 79 H LYS 79 -6.315 -5.953 -15.211 581 HA LYS 79 HA LYS 79 -5.287 -6.755 -17.863 582 1HB LYS 79 2HB LYS 79 -4.365 -4.975 -15.649 583 2HB LYS 79 1HB LYS 79 -3.152 -5.642 -16.743 584 1HG LYS 79 2HG LYS 79 -5.457 -4.688 -18.227 585 2HG LYS 79 1HG LYS 79 -4.781 -3.405 -17.220 586 1HD LYS 79 2HD LYS 79 -2.515 -4.591 -18.241 587 2HD LYS 79 1HD LYS 79 -3.644 -4.717 -19.592 588 1HE LYS 79 2HE LYS 79 -3.771 -2.435 -19.874 589 2HE LYS 79 1HE LYS 79 -3.575 -2.114 -18.153 590 1HZ LYS 79 1HZ LYS 79 -1.455 -1.685 -18.545 591 2HZ LYS 79 2HZ LYS 79 -1.619 -2.104 -20.182 592 3HZ LYS 79 3HZ LYS 79 -1.214 -3.290 -19.033 593 H HIS 80 H HIS 80 -4.120 -7.141 -14.492 594 HA HIS 80 HA HIS 80 -2.461 -9.425 -15.354 595 1HB HIS 80 2HB HIS 80 -2.716 -8.373 -12.534 596 2HB HIS 80 1HB HIS 80 -1.364 -9.243 -13.258 597 HD1 HIS 80 HD1 HIS 80 -0.267 -7.866 -15.431 598 HD2 HIS 80 HD2 HIS 80 -2.341 -5.637 -12.583 599 HE1 HIS 80 HE1 HIS 80 0.432 -5.455 -15.759 600 H GLY 81 H GLY 81 -5.023 -8.848 -12.902 601 1HA GLY 81 2HA GLY 81 -6.859 -10.453 -12.640 602 2HA GLY 81 1HA GLY 81 -5.770 -11.725 -13.190 603 H SER 82 H SER 82 -5.406 -13.086 -11.505 604 HA SER 82 HA SER 82 -5.015 -11.905 -8.786 605 1HB SER 82 2HB SER 82 -6.790 -13.830 -9.492 606 2HB SER 82 1HB SER 82 -5.405 -14.834 -9.071 607 HG SER 82 HG SER 82 -6.867 -14.247 -7.305 608 H GLU 83 H GLU 83 -3.611 -14.136 -11.174 609 HA GLU 83 HA GLU 83 -1.490 -15.153 -9.566 610 1HB GLU 83 2HB GLU 83 -2.141 -15.031 -12.433 611 2HB GLU 83 1HB GLU 83 -0.408 -15.056 -12.099 612 1HG GLU 83 2HG GLU 83 -0.915 -17.338 -12.162 613 2HG GLU 83 1HG GLU 83 -1.025 -16.989 -10.437 614 H LEU 84 H LEU 84 -0.332 -13.672 -8.383 615 HA LEU 84 HA LEU 84 1.323 -11.729 -9.917 616 1HB LEU 84 2HB LEU 84 -0.420 -11.107 -7.522 617 2HB LEU 84 1HB LEU 84 0.930 -10.078 -8.001 618 HG LEU 84 HG LEU 84 -0.995 -10.851 -10.141 619 1HD1 LEU 84 1HD1 LEU 84 -1.737 -9.356 -7.694 620 2HD1 LEU 84 2HD1 LEU 84 -2.762 -10.206 -8.851 621 3HD1 LEU 84 3HD1 LEU 84 -2.181 -8.581 -9.214 622 1HD2 LEU 84 1HD2 LEU 84 0.782 -8.550 -9.404 623 2HD2 LEU 84 2HD2 LEU 84 -0.585 -8.252 -10.476 624 3HD2 LEU 84 3HD2 LEU 84 0.657 -9.418 -10.934 625 H ARG 85 H ARG 85 3.118 -10.848 -8.446 626 HA ARG 85 HA ARG 85 3.919 -12.788 -6.327 627 1HB ARG 85 2HB ARG 85 5.327 -12.173 -8.884 628 2HB ARG 85 1HB ARG 85 6.323 -12.352 -7.440 629 1HG ARG 85 2HG ARG 85 5.964 -14.587 -7.326 630 2HG ARG 85 1HG ARG 85 4.249 -14.420 -7.709 631 1HD ARG 85 2HD ARG 85 4.811 -14.096 -10.091 632 2HD ARG 85 1HD ARG 85 6.524 -14.270 -9.711 633 HE ARG 85 HE ARG 85 4.604 -16.495 -9.167 634 1HH1 ARG 85 2HH1 ARG 85 5.798 -16.213 -11.965 635 2HH1 ARG 85 1HH1 ARG 85 7.161 -17.277 -11.855 636 1HH2 ARG 85 1HH2 ARG 85 7.092 -17.425 -8.381 637 2HH2 ARG 85 2HH2 ARG 85 7.895 -17.965 -9.817 638 H LEU 86 H LEU 86 5.590 -11.895 -4.875 639 HA LEU 86 HA LEU 86 5.454 -8.914 -4.774 640 1HB LEU 86 2HB LEU 86 4.595 -10.374 -2.824 641 2HB LEU 86 1HB LEU 86 6.297 -10.697 -2.490 642 HG LEU 86 HG LEU 86 6.107 -7.910 -2.908 643 1HD1 LEU 86 1HD1 LEU 86 3.583 -8.561 -2.389 644 2HD1 LEU 86 2HD1 LEU 86 4.311 -7.120 -1.680 645 3HD1 LEU 86 3HD1 LEU 86 4.174 -8.597 -0.728 646 1HD2 LEU 86 1HD2 LEU 86 6.498 -9.716 -0.523 647 2HD2 LEU 86 2HD2 LEU 86 6.513 -7.963 -0.343 648 3HD2 LEU 86 3HD2 LEU 86 7.699 -8.750 -1.383 649 H ILE 87 H ILE 87 7.277 -7.795 -5.160 650 HA ILE 87 HA ILE 87 9.916 -9.134 -4.760 651 HB ILE 87 HB ILE 87 9.441 -9.191 -7.157 652 1HG1 ILE 87 2HG1 ILE 87 11.325 -6.863 -6.795 653 2HG1 ILE 87 1HG1 ILE 87 11.751 -8.466 -6.198 654 1HG2 ILE 87 1HG2 ILE 87 9.124 -7.028 -8.393 655 2HG2 ILE 87 2HG2 ILE 87 8.952 -6.215 -6.839 656 3HG2 ILE 87 3HG2 ILE 87 7.778 -7.436 -7.328 657 1HD1 ILE 87 1HD1 ILE 87 12.364 -7.693 -8.684 658 2HD1 ILE 87 2HD1 ILE 87 10.726 -8.270 -8.996 659 3HD1 ILE 87 3HD1 ILE 87 11.932 -9.363 -8.314 660 HA PRO 88 HA PRO 88 10.559 -5.386 -2.474 661 1HB PRO 88 2HB PRO 88 13.193 -5.888 -1.838 662 2HB PRO 88 1HB PRO 88 11.816 -6.632 -1.007 663 1HG PRO 88 2HG PRO 88 13.677 -7.836 -3.006 664 2HG PRO 88 1HG PRO 88 12.762 -8.621 -1.709 665 1HD PRO 88 2HD PRO 88 12.066 -8.636 -4.440 666 2HD PRO 88 1HD PRO 88 10.992 -9.073 -3.094 667 H ARG 89 H ARG 89 10.411 -3.918 -4.279 668 HA ARG 89 HA ARG 89 12.959 -3.338 -5.728 669 1HB ARG 89 2HB ARG 89 10.076 -2.613 -6.321 670 2HB ARG 89 1HB ARG 89 11.446 -1.976 -7.231 671 1HG ARG 89 2HG ARG 89 11.347 -4.927 -6.853 672 2HG ARG 89 1HG ARG 89 10.163 -4.226 -7.956 673 1HD ARG 89 2HD ARG 89 13.096 -3.532 -8.128 674 2HD ARG 89 1HD ARG 89 12.427 -4.928 -8.969 675 HE ARG 89 HE ARG 89 12.042 -2.132 -9.714 676 1HH1 ARG 89 1HH2 ARG 89 11.858 -5.227 -10.859 677 2HH1 ARG 89 2HH2 ARG 89 10.412 -5.020 -11.790 678 1HH2 ARG 89 2HH1 ARG 89 9.693 -1.884 -10.471 679 2HH2 ARG 89 1HH1 ARG 89 9.185 -3.120 -11.572 680 H ASP 90 H ASP 90 14.096 -1.892 -4.521 681 HA ASP 90 HA ASP 90 12.879 0.084 -2.795 682 1HB ASP 90 2HB ASP 90 15.463 -0.959 -3.226 683 2HB ASP 90 1HB ASP 90 15.576 0.772 -3.539 684 H ARG 91 H ARG 91 13.650 0.064 -6.190 685 HA ARG 91 HA ARG 91 13.151 3.022 -6.298 686 1HB ARG 91 2HB ARG 91 15.250 1.356 -7.488 687 2HB ARG 91 1HB ARG 91 14.429 2.379 -8.661 688 1HG ARG 91 2HG ARG 91 15.822 4.012 -7.967 689 2HG ARG 91 1HG ARG 91 14.790 4.094 -6.544 690 1HD ARG 91 2HD ARG 91 17.430 3.720 -6.334 691 2HD ARG 91 1HD ARG 91 16.294 2.984 -5.207 692 HE ARG 91 HE ARG 91 17.501 1.520 -7.521 693 1HH1 ARG 91 2HH1 ARG 91 18.252 1.459 -4.473 694 2HH1 ARG 91 1HH1 ARG 91 17.567 -0.067 -4.032 695 1HH2 ARG 91 1HH2 ARG 91 15.661 -0.338 -6.921 696 2HH2 ARG 91 2HH2 ARG 91 16.104 -1.089 -5.425 697 H VAL 92 H VAL 92 12.556 3.551 -8.755 698 HA VAL 92 HA VAL 92 10.106 2.012 -9.335 699 HB VAL 92 HB VAL 92 9.636 3.788 -10.969 700 1HG1 VAL 92 1HG1 VAL 92 9.381 5.617 -9.426 701 2HG1 VAL 92 2HG1 VAL 92 10.717 5.038 -8.432 702 3HG1 VAL 92 3HG1 VAL 92 9.207 4.128 -8.496 703 1HG2 VAL 92 1HG2 VAL 92 11.220 5.660 -11.262 704 2HG2 VAL 92 2HG2 VAL 92 11.967 4.138 -11.743 705 3HG2 VAL 92 3HG2 VAL 92 12.370 4.863 -10.188 706 H GLY 93 H GLY 93 13.383 2.155 -10.436 707 1HA GLY 93 2HA GLY 93 12.695 0.886 -13.036 708 2HA GLY 93 1HA GLY 93 14.278 1.523 -12.592 709 H HIS 94 HN HIS 94 15.330 0.348 -10.680 710 HA HIS 94 HA HIS 94 14.633 -2.552 -10.632 711 1HB HIS 94 2HB HIS 94 16.948 -1.345 -11.888 712 2HB HIS 94 1HB HIS 94 17.457 -2.394 -10.566 713 HD1 HIS 94 HD1 HIS 94 15.336 -2.486 -13.719 714 HD2 HIS 94 HD2 HIS 94 17.258 -5.111 -11.114 715 HE1 HIS 94 HE1 HIS 94 15.187 -4.781 -14.776 Start of MODEL 11 1 1H MET 1 1H MET 1 -15.997 0.943 -13.128 2 2H MET 1 2H MET 1 -15.498 2.260 -14.078 3 3H MET 1 3H MET 1 -16.706 1.208 -14.644 4 HA MET 1 HA MET 1 -17.746 3.212 -13.901 5 1HB MET 1 2HB MET 1 -18.489 0.703 -13.199 6 2HB MET 1 1HB MET 1 -18.351 1.436 -11.602 7 1HG MET 1 2HG MET 1 -20.300 2.517 -11.906 8 2HG MET 1 1HG MET 1 -19.663 3.290 -13.358 9 1HE MET 1 1HE MET 1 -22.451 2.248 -15.444 10 2HE MET 1 2HE MET 1 -21.004 3.238 -15.295 11 3HE MET 1 3HE MET 1 -22.233 3.289 -14.034 12 H SER 2 H SER 2 -16.505 1.684 -10.897 13 HA SER 2 HA SER 2 -15.945 4.431 -9.876 14 1HB SER 2 2HB SER 2 -15.817 3.172 -7.626 15 2HB SER 2 1HB SER 2 -17.405 3.359 -8.359 16 HG SER 2 HG SER 2 -16.069 1.114 -7.750 17 H GLY 3 H GLY 3 -13.866 5.042 -9.832 18 1HA GLY 3 2HA GLY 3 -11.559 4.762 -9.156 19 2HA GLY 3 1HA GLY 3 -11.753 3.015 -9.316 20 H GLY 4 H GLY 4 -12.277 2.279 -11.636 21 1HA GLY 4 2HA GLY 4 -11.217 4.036 -13.758 22 2HA GLY 4 1HA GLY 4 -10.274 2.584 -13.424 23 H THR 5 H THR 5 -11.136 0.551 -13.968 24 HA THR 5 HA THR 5 -13.445 0.659 -15.854 25 HB THR 5 HB THR 5 -11.730 -1.777 -15.609 26 HG1 THR 5 HG1 THR 5 -10.004 -0.668 -16.007 27 1HG2 THR 5 1HG2 THR 5 -12.552 -0.380 -18.135 28 2HG2 THR 5 2HG2 THR 5 -13.752 -1.274 -17.205 29 3HG2 THR 5 3HG2 THR 5 -12.333 -2.106 -17.837 30 H ALA 6 H ALA 6 -12.152 -1.128 -13.054 31 HA ALA 6 HA ALA 6 -13.271 -2.319 -11.376 32 1HB ALA 6 1HB ALA 6 -15.028 -0.402 -11.877 33 2HB ALA 6 2HB ALA 6 -15.486 -1.797 -10.899 34 3HB ALA 6 3HB ALA 6 -15.943 -1.723 -12.601 35 H ALA 7 H ALA 7 -12.670 -4.397 -11.923 36 HA ALA 7 HA ALA 7 -14.248 -5.806 -14.022 37 1HB ALA 7 1HB ALA 7 -12.152 -6.455 -14.581 38 2HB ALA 7 2HB ALA 7 -12.294 -7.568 -13.223 39 3HB ALA 7 3HB ALA 7 -11.494 -6.010 -13.008 40 H THR 8 H THR 8 -15.916 -7.005 -13.306 41 HA THR 8 HA THR 8 -16.162 -7.740 -10.483 42 HB THR 8 HB THR 8 -17.900 -8.488 -12.860 43 HG1 THR 8 HG1 THR 8 -18.405 -6.463 -12.716 44 1HG2 THR 8 1HG2 THR 8 -19.551 -8.559 -10.747 45 2HG2 THR 8 2HG2 THR 8 -18.048 -8.982 -9.926 46 3HG2 THR 8 3HG2 THR 8 -18.630 -9.972 -11.264 47 H THR 9 H THR 9 -15.097 -9.491 -9.701 48 HA THR 9 HA THR 9 -14.359 -11.690 -11.552 49 HB THR 9 HB THR 9 -13.566 -11.234 -8.656 50 HG1 THR 9 HG1 THR 9 -11.629 -10.517 -9.578 51 1HG2 THR 9 1HG2 THR 9 -12.188 -13.084 -8.827 52 2HG2 THR 9 2HG2 THR 9 -12.040 -12.944 -10.578 53 3HG2 THR 9 3HG2 THR 9 -13.512 -13.605 -9.868 54 H ALA 10 H ALA 10 -15.856 -11.346 -8.302 55 HA ALA 10 HA ALA 10 -17.317 -13.903 -8.850 56 1HB ALA 10 1HB ALA 10 -16.473 -12.721 -6.186 57 2HB ALA 10 2HB ALA 10 -15.737 -14.114 -6.977 58 3HB ALA 10 3HB ALA 10 -17.399 -14.208 -6.393 59 H GLY 11 H GLY 11 -17.623 -10.916 -6.877 60 1HA GLY 11 2HA GLY 11 -20.482 -10.768 -7.735 61 2HA GLY 11 1HA GLY 11 -20.063 -10.607 -6.029 62 H SER 12 H SER 12 -18.462 -8.828 -5.516 63 HA SER 12 HA SER 12 -18.465 -6.594 -7.474 64 1HB SER 12 2HB SER 12 -20.196 -6.740 -5.182 65 2HB SER 12 1HB SER 12 -19.028 -5.448 -4.926 66 HG SER 12 HG SER 12 -20.418 -4.415 -6.156 67 H LYS 13 H LYS 13 -16.316 -8.279 -6.634 68 HA LYS 13 HA LYS 13 -14.482 -6.234 -5.600 69 1HB LYS 13 2HB LYS 13 -13.624 -7.793 -3.788 70 2HB LYS 13 1HB LYS 13 -15.208 -7.092 -3.476 71 1HG LYS 13 2HG LYS 13 -16.113 -9.146 -3.331 72 2HG LYS 13 1HG LYS 13 -15.568 -9.518 -4.967 73 1HD LYS 13 2HD LYS 13 -13.223 -9.750 -3.617 74 2HD LYS 13 1HD LYS 13 -14.359 -10.241 -2.360 75 1HE LYS 13 2HE LYS 13 -14.504 -12.264 -3.333 76 2HE LYS 13 1HE LYS 13 -15.228 -11.495 -4.746 77 1HZ LYS 13 1HZ LYS 13 -13.406 -11.948 -5.890 78 2HZ LYS 13 2HZ LYS 13 -12.715 -12.701 -4.539 79 3HZ LYS 13 3HZ LYS 13 -12.459 -11.045 -4.812 80 H VAL 14 H VAL 14 -12.199 -7.074 -5.585 81 HA VAL 14 HA VAL 14 -11.813 -9.253 -7.600 82 HB VAL 14 HB VAL 14 -9.709 -7.913 -8.244 83 1HG1 VAL 14 1HG1 VAL 14 -12.300 -6.492 -8.859 84 2HG1 VAL 14 2HG1 VAL 14 -11.949 -8.096 -9.501 85 3HG1 VAL 14 3HG1 VAL 14 -10.907 -6.735 -9.914 86 1HG2 VAL 14 1HG2 VAL 14 -9.957 -6.401 -6.185 87 2HG2 VAL 14 2HG2 VAL 14 -11.278 -5.614 -7.048 88 3HG2 VAL 14 3HG2 VAL 14 -9.645 -5.583 -7.716 89 H THR 15 H THR 15 -10.448 -10.850 -6.947 90 HA THR 15 HA THR 15 -9.013 -10.466 -4.366 91 HB THR 15 HB THR 15 -10.604 -12.399 -4.642 92 HG1 THR 15 HG1 THR 15 -7.910 -13.206 -4.305 93 1HG2 THR 15 1HG2 THR 15 -9.399 -12.703 -7.106 94 2HG2 THR 15 2HG2 THR 15 -10.416 -13.908 -6.318 95 3HG2 THR 15 3HG2 THR 15 -8.662 -13.996 -6.159 96 H PHE 16 H PHE 16 -6.762 -10.983 -4.180 97 HA PHE 16 HA PHE 16 -5.292 -11.439 -6.741 98 1HB PHE 16 2HB PHE 16 -4.472 -9.378 -4.674 99 2HB PHE 16 1HB PHE 16 -3.665 -9.715 -6.201 100 HD1 PHE 16 HD1 PHE 16 -5.066 -9.432 -8.363 101 HD2 PHE 16 HD2 PHE 16 -6.161 -7.747 -4.570 102 HE1 PHE 16 HE1 PHE 16 -6.537 -7.803 -9.514 103 HE2 PHE 16 HE2 PHE 16 -7.634 -6.117 -5.719 104 HZ PHE 16 HZ PHE 16 -7.822 -6.145 -8.191 105 H LYS 17 H LYS 17 -3.634 -12.862 -6.537 106 HA LYS 17 HA LYS 17 -2.919 -13.809 -3.790 107 1HB LYS 17 2HB LYS 17 -2.631 -15.197 -6.475 108 2HB LYS 17 1HB LYS 17 -2.150 -15.876 -4.922 109 1HG LYS 17 2HG LYS 17 -4.361 -16.125 -4.196 110 2HG LYS 17 1HG LYS 17 -4.974 -14.920 -5.333 111 1HD LYS 17 2HD LYS 17 -4.654 -16.390 -7.202 112 2HD LYS 17 1HD LYS 17 -3.731 -17.531 -6.224 113 1HE LYS 17 2HE LYS 17 -6.036 -18.336 -6.598 114 2HE LYS 17 1HE LYS 17 -5.741 -18.029 -4.889 115 1HZ LYS 17 1HZ LYS 17 -7.886 -17.147 -5.867 116 2HZ LYS 17 2HZ LYS 17 -6.941 -15.983 -6.662 117 3HZ LYS 17 3HZ LYS 17 -6.958 -16.054 -4.965 118 H ILE 18 H ILE 18 -1.010 -12.938 -3.132 119 HA ILE 18 HA ILE 18 1.098 -12.461 -5.204 120 HB ILE 18 HB ILE 18 0.606 -10.920 -2.634 121 1HG1 ILE 18 2HG1 ILE 18 0.446 -9.254 -4.907 122 2HG1 ILE 18 1HG1 ILE 18 -0.503 -10.689 -5.301 123 1HG2 ILE 18 1HG2 ILE 18 2.257 -9.357 -4.036 124 2HG2 ILE 18 2HG2 ILE 18 2.773 -10.912 -4.688 125 3HG2 ILE 18 3HG2 ILE 18 2.867 -10.608 -2.954 126 1HD1 ILE 18 1HD1 ILE 18 -0.962 -8.630 -3.204 127 2HD1 ILE 18 2HD1 ILE 18 -1.342 -10.297 -2.769 128 3HD1 ILE 18 3HD1 ILE 18 -2.131 -9.546 -4.156 129 H THR 19 H THR 19 2.800 -13.784 -4.965 130 HA THR 19 HA THR 19 3.415 -14.867 -2.244 131 HB THR 19 HB THR 19 2.734 -16.533 -4.029 132 HG1 THR 19 HG1 THR 19 3.870 -17.581 -2.604 133 1HG2 THR 19 1HG2 THR 19 3.980 -16.860 -5.948 134 2HG2 THR 19 2HG2 THR 19 5.453 -16.206 -5.232 135 3HG2 THR 19 3HG2 THR 19 4.170 -15.118 -5.758 136 H LEU 20 H LEU 20 5.671 -14.956 -1.639 137 HA LEU 20 HA LEU 20 7.219 -12.693 -2.536 138 1HB LEU 20 2HB LEU 20 7.296 -14.493 -0.359 139 2HB LEU 20 1HB LEU 20 8.846 -14.663 -1.183 140 HG LEU 20 HG LEU 20 7.716 -11.929 -0.614 141 1HD1 LEU 20 1HD1 LEU 20 8.108 -12.083 1.598 142 2HD1 LEU 20 2HD1 LEU 20 9.716 -12.749 1.314 143 3HD1 LEU 20 3HD1 LEU 20 8.319 -13.822 1.389 144 1HD2 LEU 20 1HD2 LEU 20 10.612 -12.690 -0.523 145 2HD2 LEU 20 2HD2 LEU 20 9.865 -11.191 -1.076 146 3HD2 LEU 20 3HD2 LEU 20 9.821 -12.627 -2.098 147 H THR 21 H THR 21 8.730 -12.562 -4.129 148 HA THR 21 HA THR 21 9.213 -14.923 -5.826 149 HB THR 21 HB THR 21 10.495 -13.280 -7.242 150 HG1 THR 21 HG1 THR 21 11.095 -11.551 -6.242 151 1HG2 THR 21 1HG2 THR 21 8.545 -12.786 -8.254 152 2HG2 THR 21 2HG2 THR 21 8.002 -11.812 -6.888 153 3HG2 THR 21 3HG2 THR 21 7.749 -13.557 -6.883 154 H SER 22 H SER 22 11.118 -12.713 -3.770 155 HA SER 22 HA SER 22 13.684 -13.852 -4.268 156 1HB SER 22 2HB SER 22 12.738 -11.773 -2.729 157 2HB SER 22 1HB SER 22 13.224 -12.938 -1.502 158 HG SER 22 HG SER 22 14.930 -11.528 -2.206 159 H ASP 23 H ASP 23 11.178 -14.683 -1.873 160 HA ASP 23 HA ASP 23 12.770 -16.794 -0.649 161 1HB ASP 23 2HB ASP 23 9.942 -15.825 -0.420 162 2HB ASP 23 1HB ASP 23 10.337 -17.429 0.195 163 HA PRO 24 HA PRO 24 11.796 -20.074 -3.405 164 1HB PRO 24 2HB PRO 24 11.874 -22.196 -1.652 165 2HB PRO 24 1HB PRO 24 13.317 -21.357 -2.246 166 1HG PRO 24 2HG PRO 24 12.026 -21.197 0.437 167 2HG PRO 24 1HG PRO 24 13.717 -20.917 -0.015 168 1HD PRO 24 2HD PRO 24 11.788 -18.913 0.510 169 2HD PRO 24 1HD PRO 24 13.371 -18.665 -0.257 170 H LYS 25 H LYS 25 9.644 -19.733 -4.047 171 HA LYS 25 HA LYS 25 7.364 -20.161 -4.236 172 1HB LYS 25 2HB LYS 25 8.477 -22.515 -2.904 173 2HB LYS 25 1HB LYS 25 6.787 -22.242 -2.478 174 1HG LYS 25 2HG LYS 25 7.645 -22.039 -5.350 175 2HG LYS 25 1HG LYS 25 7.361 -23.626 -4.633 176 1HD LYS 25 2HD LYS 25 5.147 -23.341 -4.914 177 2HD LYS 25 1HD LYS 25 5.204 -21.941 -3.841 178 1HE LYS 25 2HE LYS 25 6.288 -21.119 -6.338 179 2HE LYS 25 1HE LYS 25 4.796 -21.994 -6.684 180 1HZ LYS 25 1HZ LYS 25 3.612 -20.593 -5.162 181 2HZ LYS 25 2HZ LYS 25 4.453 -19.605 -6.258 182 3HZ LYS 25 3HZ LYS 25 5.040 -19.816 -4.678 183 H LEU 26 H LEU 26 7.411 -21.293 -0.872 184 HA LEU 26 HA LEU 26 6.497 -20.376 1.075 185 1HB LEU 26 2HB LEU 26 7.625 -18.117 -0.366 186 2HB LEU 26 1HB LEU 26 6.192 -17.634 0.540 187 HG LEU 26 HG LEU 26 7.210 -18.900 2.526 188 1HD1 LEU 26 1HD1 LEU 26 9.084 -20.078 2.106 189 2HD1 LEU 26 2HD1 LEU 26 9.927 -18.550 1.853 190 3HD1 LEU 26 3HD1 LEU 26 9.204 -19.395 0.484 191 1HD2 LEU 26 1HD2 LEU 26 8.389 -16.386 1.338 192 2HD2 LEU 26 2HD2 LEU 26 8.889 -16.976 2.922 193 3HD2 LEU 26 3HD2 LEU 26 7.207 -16.531 2.638 194 HA PRO 27 HA PRO 27 2.190 -19.985 0.323 195 1HB PRO 27 2HB PRO 27 1.368 -18.687 2.606 196 2HB PRO 27 1HB PRO 27 1.847 -20.392 2.563 197 1HG PRO 27 2HG PRO 27 3.350 -18.048 3.632 198 2HG PRO 27 1HG PRO 27 3.447 -19.753 4.101 199 1HD PRO 27 2HD PRO 27 5.290 -18.388 2.450 200 2HD PRO 27 1HD PRO 27 5.175 -20.150 2.648 201 H PHE 28 H PHE 28 0.919 -18.595 -0.851 202 HA PHE 28 HA PHE 28 1.776 -15.789 -1.136 203 1HB PHE 28 2HB PHE 28 -0.010 -15.723 -2.921 204 2HB PHE 28 1HB PHE 28 1.251 -16.917 -3.200 205 HD1 PHE 28 HD1 PHE 28 -2.246 -16.457 -2.009 206 HD2 PHE 28 HD2 PHE 28 0.763 -19.259 -3.257 207 HE1 PHE 28 HE1 PHE 28 -3.957 -18.250 -2.114 208 HE2 PHE 28 HE2 PHE 28 -0.948 -21.050 -3.359 209 HZ PHE 28 HZ PHE 28 -3.307 -20.547 -2.787 210 H LYS 29 H LYS 29 0.315 -13.993 -0.873 211 HA LYS 29 HA LYS 29 -1.664 -14.445 1.302 212 1HB LYS 29 2HB LYS 29 0.008 -12.150 0.391 213 2HB LYS 29 1HB LYS 29 -1.569 -11.759 1.076 214 1HG LYS 29 2HG LYS 29 -0.486 -11.886 3.072 215 2HG LYS 29 1HG LYS 29 -0.670 -13.628 2.862 216 1HD LYS 29 2HD LYS 29 1.561 -13.381 1.466 217 2HD LYS 29 1HD LYS 29 1.749 -11.912 2.426 218 1HE LYS 29 2HE LYS 29 2.399 -13.117 4.209 219 2HE LYS 29 1HE LYS 29 0.907 -14.057 4.148 220 1HZ LYS 29 1HZ LYS 29 2.681 -15.568 3.871 221 2HZ LYS 29 2HZ LYS 29 3.445 -14.591 2.711 222 3HZ LYS 29 3HZ LYS 29 1.988 -15.379 2.335 223 H VAL 30 H VAL 30 -3.833 -14.207 0.945 224 HA VAL 30 HA VAL 30 -4.706 -13.488 -1.808 225 HB VAL 30 HB VAL 30 -6.309 -14.706 0.468 226 1HG1 VAL 30 1HG1 VAL 30 -6.861 -14.201 -2.463 227 2HG1 VAL 30 2HG1 VAL 30 -7.813 -13.684 -1.072 228 3HG1 VAL 30 3HG1 VAL 30 -7.774 -15.387 -1.531 229 1HG2 VAL 30 1HG2 VAL 30 -5.535 -16.284 -1.940 230 2HG2 VAL 30 2HG2 VAL 30 -5.720 -16.806 -0.265 231 3HG2 VAL 30 3HG2 VAL 30 -4.258 -15.960 -0.768 232 H LEU 31 H LEU 31 -5.262 -11.388 -2.084 233 HA LEU 31 HA LEU 31 -6.413 -9.904 0.243 234 1HB LEU 31 2HB LEU 31 -4.495 -9.183 -1.896 235 2HB LEU 31 1HB LEU 31 -5.699 -7.951 -1.514 236 HG LEU 31 HG LEU 31 -4.418 -9.286 0.811 237 1HD1 LEU 31 1HD1 LEU 31 -2.786 -8.315 -1.286 238 2HD1 LEU 31 2HD1 LEU 31 -2.286 -8.721 0.355 239 3HD1 LEU 31 3HD1 LEU 31 -2.765 -7.070 -0.038 240 1HD2 LEU 31 1HD2 LEU 31 -5.972 -7.545 1.279 241 2HD2 LEU 31 2HD2 LEU 31 -5.299 -6.500 0.027 242 3HD2 LEU 31 3HD2 LEU 31 -4.387 -6.807 1.502 243 H SER 32 H SER 32 -8.588 -9.825 0.057 244 HA SER 32 HA SER 32 -9.795 -9.540 -2.658 245 1HB SER 32 2HB SER 32 -10.771 -10.660 -0.049 246 2HB SER 32 1HB SER 32 -11.946 -10.018 -1.193 247 HG SER 32 HG SER 32 -11.681 -12.113 -1.763 248 H VAL 33 H VAL 33 -10.218 -7.463 -3.184 249 HA VAL 33 HA VAL 33 -11.298 -5.648 -1.066 250 HB VAL 33 HB VAL 33 -10.075 -3.777 -2.253 251 1HG1 VAL 33 1HG1 VAL 33 -9.270 -4.985 -0.156 252 2HG1 VAL 33 2HG1 VAL 33 -8.022 -4.160 -1.090 253 3HG1 VAL 33 3HG1 VAL 33 -8.201 -5.910 -1.210 254 1HG2 VAL 33 1HG2 VAL 33 -8.514 -4.196 -3.930 255 2HG2 VAL 33 2HG2 VAL 33 -9.726 -5.420 -4.308 256 3HG2 VAL 33 3HG2 VAL 33 -8.267 -5.867 -3.424 257 HA PRO 34 HA PRO 34 -14.483 -4.783 -3.960 258 1HB PRO 34 2HB PRO 34 -15.093 -2.190 -3.268 259 2HB PRO 34 1HB PRO 34 -15.557 -3.602 -2.302 260 1HG PRO 34 2HG PRO 34 -13.396 -1.605 -1.794 261 2HG PRO 34 1HG PRO 34 -14.323 -2.575 -0.637 262 1HD PRO 34 2HD PRO 34 -11.689 -3.117 -1.479 263 2HD PRO 34 1HD PRO 34 -12.767 -4.263 -0.652 264 H GLU 35 H GLU 35 -14.862 -3.757 -5.979 265 HA GLU 35 HA GLU 35 -12.578 -2.791 -7.417 266 1HB GLU 35 2HB GLU 35 -15.531 -2.930 -8.005 267 2HB GLU 35 1HB GLU 35 -14.442 -2.095 -9.116 268 1HG GLU 35 2HG GLU 35 -13.447 -4.032 -9.809 269 2HG GLU 35 1HG GLU 35 -13.529 -4.765 -8.208 270 H SER 36 H SER 36 -11.859 -1.065 -6.047 271 HA SER 36 HA SER 36 -12.572 1.557 -6.901 272 1HB SER 36 2HB SER 36 -14.374 0.555 -4.985 273 2HB SER 36 1HB SER 36 -13.294 1.611 -4.081 274 HG SER 36 HG SER 36 -15.039 2.765 -4.990 275 H THR 37 H THR 37 -11.303 -0.427 -4.225 276 HA THR 37 HA THR 37 -9.496 1.535 -3.169 277 HB THR 37 HB THR 37 -8.271 -0.485 -2.246 278 HG1 THR 37 HG1 THR 37 -8.605 -2.218 -3.370 279 1HG2 THR 37 1HG2 THR 37 -10.288 0.661 -1.180 280 2HG2 THR 37 2HG2 THR 37 -9.984 -0.999 -0.669 281 3HG2 THR 37 3HG2 THR 37 -11.260 -0.657 -1.836 282 HA PRO 38 HA PRO 38 -6.499 1.547 -6.418 283 1HB PRO 38 2HB PRO 38 -4.565 2.953 -5.064 284 2HB PRO 38 1HB PRO 38 -6.011 3.698 -5.767 285 1HG PRO 38 2HG PRO 38 -5.399 3.122 -2.905 286 2HG PRO 38 1HG PRO 38 -6.451 4.367 -3.599 287 1HD PRO 38 2HD PRO 38 -7.308 1.935 -2.434 288 2HD PRO 38 1HD PRO 38 -8.301 3.025 -3.425 289 H PHE 39 H PHE 39 -4.333 0.709 -6.883 290 HA PHE 39 HA PHE 39 -3.693 -1.735 -5.518 291 1HB PHE 39 2HB PHE 39 -3.138 -1.008 -7.960 292 2HB PHE 39 1HB PHE 39 -1.715 -0.253 -7.245 293 HD1 PHE 39 HD1 PHE 39 0.196 -1.569 -7.467 294 HD2 PHE 39 HD2 PHE 39 -3.573 -3.480 -6.692 295 HE1 PHE 39 HE1 PHE 39 1.326 -3.774 -7.403 296 HE2 PHE 39 HE2 PHE 39 -2.441 -5.685 -6.627 297 HZ PHE 39 HZ PHE 39 0.008 -5.832 -6.982 298 H THR 40 H THR 40 -2.834 1.566 -4.883 299 HA THR 40 HA THR 40 -0.319 1.213 -3.569 300 HB THR 40 HB THR 40 -1.003 3.298 -2.284 301 HG1 THR 40 HG1 THR 40 -3.010 3.874 -2.338 302 1HG2 THR 40 1HG2 THR 40 -1.187 3.170 -5.295 303 2HG2 THR 40 2HG2 THR 40 0.195 3.641 -4.306 304 3HG2 THR 40 3HG2 THR 40 -1.210 4.700 -4.417 305 H ALA 41 H ALA 41 -3.672 1.005 -2.382 306 HA ALA 41 HA ALA 41 -2.885 0.338 0.343 307 1HB ALA 41 1HB ALA 41 -5.484 0.359 -1.181 308 2HB ALA 41 2HB ALA 41 -5.014 1.327 0.214 309 3HB ALA 41 3HB ALA 41 -5.393 -0.382 0.417 310 H VAL 42 H VAL 42 -3.954 -1.489 -2.532 311 HA VAL 42 HA VAL 42 -4.141 -4.063 -1.299 312 HB VAL 42 HB VAL 42 -3.321 -3.371 -4.144 313 1HG1 VAL 42 1HG1 VAL 42 -3.155 -5.587 -4.508 314 2HG1 VAL 42 2HG1 VAL 42 -4.773 -5.840 -3.855 315 3HG1 VAL 42 3HG1 VAL 42 -3.374 -5.865 -2.781 316 1HG2 VAL 42 1HG2 VAL 42 -5.476 -2.804 -4.478 317 2HG2 VAL 42 2HG2 VAL 42 -5.786 -3.018 -2.756 318 3HG2 VAL 42 3HG2 VAL 42 -6.000 -4.372 -3.865 319 H LEU 43 H LEU 43 -1.412 -2.546 -3.049 320 HA LEU 43 HA LEU 43 0.498 -4.619 -2.579 321 1HB LEU 43 2HB LEU 43 0.675 -2.631 -4.197 322 2HB LEU 43 1HB LEU 43 1.163 -1.674 -2.799 323 HG LEU 43 HG LEU 43 2.583 -4.247 -3.063 324 1HD1 LEU 43 1HD1 LEU 43 3.610 -3.943 -5.073 325 2HD1 LEU 43 2HD1 LEU 43 3.659 -2.189 -4.894 326 3HD1 LEU 43 3HD1 LEU 43 2.184 -2.978 -5.450 327 1HD2 LEU 43 1HD2 LEU 43 3.945 -1.597 -2.985 328 2HD2 LEU 43 2HD2 LEU 43 4.274 -3.058 -2.053 329 3HD2 LEU 43 3HD2 LEU 43 2.932 -2.007 -1.601 330 H LYS 44 H LYS 44 -0.494 -1.816 -0.662 331 HA LYS 44 HA LYS 44 1.585 -1.873 1.286 332 1HB LYS 44 2HB LYS 44 -0.725 -0.374 0.846 333 2HB LYS 44 1HB LYS 44 -1.029 -1.173 2.388 334 1HG LYS 44 2HG LYS 44 1.367 -0.425 3.018 335 2HG LYS 44 1HG LYS 44 1.239 0.670 1.643 336 1HD LYS 44 2HD LYS 44 0.215 2.109 3.049 337 2HD LYS 44 1HD LYS 44 -1.175 1.026 2.978 338 1HE LYS 44 2HE LYS 44 0.806 0.007 4.836 339 2HE LYS 44 1HE LYS 44 0.363 1.662 5.252 340 1HZ LYS 44 1HZ LYS 44 -1.068 -0.551 5.885 341 2HZ LYS 44 2HZ LYS 44 -1.894 0.036 4.519 342 3HZ LYS 44 3HZ LYS 44 -1.669 1.036 5.874 343 H PHE 45 H PHE 45 -1.645 -3.409 1.311 344 HA PHE 45 HA PHE 45 -1.332 -4.757 3.815 345 1HB PHE 45 2HB PHE 45 -3.145 -4.996 1.460 346 2HB PHE 45 1HB PHE 45 -3.058 -6.378 2.552 347 HD1 PHE 45 HD1 PHE 45 -4.375 -3.060 2.055 348 HD2 PHE 45 HD2 PHE 45 -3.405 -5.978 5.052 349 HE1 PHE 45 HE1 PHE 45 -5.844 -1.885 3.672 350 HE2 PHE 45 HE2 PHE 45 -4.873 -4.806 6.671 351 HZ PHE 45 HZ PHE 45 -6.095 -2.758 5.981 352 H ALA 46 H ALA 46 -0.693 -5.838 0.462 353 HA ALA 46 HA ALA 46 0.064 -8.514 1.080 354 1HB ALA 46 1HB ALA 46 1.373 -8.381 -1.076 355 2HB ALA 46 2HB ALA 46 0.970 -6.665 -1.146 356 3HB ALA 46 3HB ALA 46 -0.310 -7.875 -1.222 357 H ALA 47 H ALA 47 2.060 -5.552 0.838 358 HA ALA 47 HA ALA 47 4.547 -6.837 1.506 359 1HB ALA 47 1HB ALA 47 4.282 -4.549 0.444 360 2HB ALA 47 2HB ALA 47 5.421 -4.608 1.789 361 3HB ALA 47 3HB ALA 47 3.806 -3.946 2.031 362 H GLU 48 H GLU 48 2.045 -5.224 3.460 363 HA GLU 48 HA GLU 48 3.395 -5.272 5.971 364 1HB GLU 48 2HB GLU 48 1.267 -4.034 5.495 365 2HB GLU 48 1HB GLU 48 0.415 -5.578 5.480 366 1HG GLU 48 2HG GLU 48 2.046 -5.378 7.860 367 2HG GLU 48 1HG GLU 48 0.994 -3.969 7.731 368 H GLU 49 H GLU 49 1.282 -7.691 4.409 369 HA GLU 49 HA GLU 49 1.415 -9.586 6.593 370 1HB GLU 49 2HB GLU 49 0.416 -9.583 3.786 371 2HB GLU 49 1HB GLU 49 0.805 -11.156 4.485 372 1HG GLU 49 2HG GLU 49 -1.347 -11.000 5.261 373 2HG GLU 49 1HG GLU 49 -0.562 -10.095 6.554 374 H PHE 50 H PHE 50 3.462 -8.887 3.823 375 HA PHE 50 HA PHE 50 4.993 -11.390 4.101 376 1HB PHE 50 2HB PHE 50 4.919 -9.099 2.207 377 2HB PHE 50 1HB PHE 50 6.473 -9.905 2.402 378 HD1 PHE 50 HD1 PHE 50 6.192 -12.625 2.551 379 HD2 PHE 50 HD2 PHE 50 3.567 -9.911 0.502 380 HE1 PHE 50 HE1 PHE 50 5.407 -14.477 1.100 381 HE2 PHE 50 HE2 PHE 50 2.783 -11.763 -0.946 382 HZ PHE 50 HZ PHE 50 3.703 -14.046 -0.646 383 H LYS 51 H LYS 51 4.932 -8.653 5.934 384 HA LYS 51 HA LYS 51 6.419 -7.712 7.468 385 1HB LYS 51 2HB LYS 51 7.870 -10.266 6.761 386 2HB LYS 51 1HB LYS 51 8.576 -9.089 7.869 387 1HG LYS 51 2HG LYS 51 7.103 -9.580 9.534 388 2HG LYS 51 1HG LYS 51 5.749 -9.756 8.417 389 1HD LYS 51 2HD LYS 51 7.532 -11.880 7.844 390 2HD LYS 51 1HD LYS 51 7.385 -11.813 9.599 391 1HE LYS 51 2HE LYS 51 5.488 -13.023 9.249 392 2HE LYS 51 1HE LYS 51 4.783 -11.455 8.855 393 1HZ LYS 51 1HZ LYS 51 5.923 -12.137 6.525 394 2HZ LYS 51 2HZ LYS 51 4.300 -12.442 6.920 395 3HZ LYS 51 3HZ LYS 51 5.466 -13.662 7.112 396 H VAL 52 H VAL 52 6.457 -6.840 4.711 397 HA VAL 52 HA VAL 52 9.255 -5.802 4.589 398 HB VAL 52 HB VAL 52 9.069 -5.881 2.075 399 1HG1 VAL 52 1HG1 VAL 52 10.155 -7.667 3.618 400 2HG1 VAL 52 2HG1 VAL 52 9.844 -8.098 1.936 401 3HG1 VAL 52 3HG1 VAL 52 8.755 -8.656 3.206 402 1HG2 VAL 52 1HG2 VAL 52 6.860 -7.890 2.451 403 2HG2 VAL 52 2HG2 VAL 52 7.318 -7.001 0.999 404 3HG2 VAL 52 3HG2 VAL 52 6.470 -6.177 2.306 405 HA PRO 53 HA PRO 53 7.334 -1.879 4.159 406 1HB PRO 53 2HB PRO 53 9.259 -0.558 2.707 407 2HB PRO 53 1HB PRO 53 9.409 -0.941 4.429 408 1HG PRO 53 2HG PRO 53 10.742 -2.238 2.094 409 2HG PRO 53 1HG PRO 53 11.295 -2.110 3.772 410 1HD PRO 53 2HD PRO 53 10.141 -4.400 2.589 411 2HD PRO 53 1HD PRO 53 10.362 -4.129 4.331 412 H ALA 54 H ALA 54 5.692 -1.278 2.837 413 HA ALA 54 HA ALA 54 5.450 -2.271 0.119 414 1HB ALA 54 1HB ALA 54 3.787 -0.141 1.493 415 2HB ALA 54 2HB ALA 54 3.509 -1.875 1.657 416 3HB ALA 54 3HB ALA 54 3.326 -1.097 0.085 417 H ALA 55 H ALA 55 6.387 0.820 1.566 418 HA ALA 55 HA ALA 55 6.262 2.410 -0.815 419 1HB ALA 55 1HB ALA 55 8.089 2.726 1.587 420 2HB ALA 55 2HB ALA 55 6.453 3.373 1.460 421 3HB ALA 55 3HB ALA 55 7.723 3.974 0.394 422 H THR 56 H THR 56 8.726 0.196 0.424 423 HA THR 56 HA THR 56 10.488 0.930 -1.877 424 HB THR 56 HB THR 56 11.912 -0.807 -0.180 425 HG1 THR 56 HG1 THR 56 11.498 -0.204 1.811 426 1HG2 THR 56 1HG2 THR 56 13.423 0.936 -0.115 427 2HG2 THR 56 2HG2 THR 56 12.166 2.159 0.082 428 3HG2 THR 56 3HG2 THR 56 12.444 1.426 -1.498 429 H SER 57 H SER 57 8.080 -0.959 -1.860 430 HA SER 57 HA SER 57 9.531 -3.261 -3.073 431 1HB SER 57 2HB SER 57 8.053 -4.864 -2.039 432 2HB SER 57 1HB SER 57 8.720 -3.855 -0.761 433 HG SER 57 HG SER 57 6.314 -4.279 -0.890 434 H ALA 58 H ALA 58 8.333 -4.361 -4.723 435 HA ALA 58 HA ALA 58 5.931 -2.899 -5.744 436 1HB ALA 58 1HB ALA 58 8.026 -2.334 -7.027 437 2HB ALA 58 2HB ALA 58 6.774 -3.095 -8.008 438 3HB ALA 58 3HB ALA 58 8.158 -4.039 -7.456 439 H ILE 59 H ILE 59 4.819 -4.347 -7.498 440 HA ILE 59 HA ILE 59 4.990 -7.213 -6.647 441 HB ILE 59 HB ILE 59 2.593 -5.415 -6.925 442 1HG1 ILE 59 2HG1 ILE 59 3.210 -7.669 -4.994 443 2HG1 ILE 59 1HG1 ILE 59 3.701 -5.998 -4.716 444 1HG2 ILE 59 1HG2 ILE 59 1.458 -7.892 -6.707 445 2HG2 ILE 59 2HG2 ILE 59 2.797 -8.236 -7.799 446 3HG2 ILE 59 3HG2 ILE 59 1.606 -7.009 -8.227 447 1HD1 ILE 59 1HD1 ILE 59 1.384 -5.256 -4.752 448 2HD1 ILE 59 2HD1 ILE 59 1.536 -6.584 -3.600 449 3HD1 ILE 59 3HD1 ILE 59 0.837 -6.873 -5.194 450 H ILE 60 H ILE 60 5.493 -8.489 -8.349 451 HA ILE 60 HA ILE 60 5.027 -7.448 -11.099 452 HB ILE 60 HB ILE 60 6.523 -9.328 -11.804 453 1HG1 ILE 60 2HG1 ILE 60 7.549 -9.799 -9.094 454 2HG1 ILE 60 1HG1 ILE 60 5.901 -10.385 -9.315 455 1HG2 ILE 60 1HG2 ILE 60 8.376 -8.057 -11.428 456 2HG2 ILE 60 2HG2 ILE 60 8.101 -7.984 -9.691 457 3HG2 ILE 60 3HG2 ILE 60 7.208 -6.914 -10.767 458 1HD1 ILE 60 1HD1 ILE 60 6.620 -12.118 -10.561 459 2HD1 ILE 60 2HD1 ILE 60 8.273 -11.647 -10.165 460 3HD1 ILE 60 3HD1 ILE 60 7.510 -11.035 -11.632 461 H THR 61 H THR 61 4.435 -9.288 -12.721 462 HA THR 61 HA THR 61 2.082 -10.729 -11.599 463 HB THR 61 HB THR 61 2.798 -10.383 -14.525 464 HG1 THR 61 HG1 THR 61 1.194 -8.737 -12.859 465 1HG2 THR 61 1HG2 THR 61 0.251 -11.038 -13.025 466 2HG2 THR 61 2HG2 THR 61 1.127 -12.081 -14.145 467 3HG2 THR 61 3HG2 THR 61 0.297 -10.646 -14.743 468 H ASN 62 H ASN 62 1.730 -12.984 -12.267 469 HA ASN 62 HA ASN 62 3.976 -14.674 -11.887 470 1HB ASN 62 2HB ASN 62 1.148 -14.996 -12.508 471 2HB ASN 62 1HB ASN 62 2.133 -16.205 -13.332 472 1HD2 ASN 62 1HD2 ASN 62 1.623 -14.772 -10.061 473 2HD2 ASN 62 2HD2 ASN 62 2.059 -16.177 -9.216 474 H ASP 63 H ASP 63 2.726 -13.211 -14.826 475 HA ASP 63 HA ASP 63 4.214 -14.974 -16.623 476 1HB ASP 63 2HB ASP 63 2.764 -12.345 -17.050 477 2HB ASP 63 1HB ASP 63 3.563 -13.234 -18.346 478 H GLY 64 H GLY 64 4.537 -11.543 -15.606 479 1HA GLY 64 2HA GLY 64 7.118 -11.248 -14.979 480 2HA GLY 64 1HA GLY 64 7.288 -11.493 -16.717 481 H VAL 65 H VAL 65 5.066 -9.592 -14.634 482 HA VAL 65 HA VAL 65 5.786 -7.178 -16.248 483 HB VAL 65 HB VAL 65 2.995 -7.807 -15.238 484 1HG1 VAL 65 1HG1 VAL 65 3.669 -5.398 -15.558 485 2HG1 VAL 65 2HG1 VAL 65 2.337 -5.912 -16.591 486 3HG1 VAL 65 3HG1 VAL 65 3.962 -5.764 -17.259 487 1HG2 VAL 65 1HG2 VAL 65 4.156 -8.078 -18.032 488 2HG2 VAL 65 2HG2 VAL 65 2.450 -8.251 -17.620 489 3HG2 VAL 65 3HG2 VAL 65 3.628 -9.408 -17.001 490 H GLY 66 H GLY 66 6.630 -5.669 -14.907 491 1HA GLY 66 2HA GLY 66 6.448 -5.897 -12.025 492 2HA GLY 66 1HA GLY 66 7.248 -4.601 -12.908 493 H VAL 67 H VAL 67 4.214 -5.703 -11.579 494 HA VAL 67 HA VAL 67 2.650 -3.400 -12.420 495 HB VAL 67 HB VAL 67 2.039 -5.232 -10.084 496 1HG1 VAL 67 1HG1 VAL 67 0.310 -3.626 -11.991 497 2HG1 VAL 67 2HG1 VAL 67 0.614 -3.249 -10.295 498 3HG1 VAL 67 3HG1 VAL 67 -0.300 -4.694 -10.727 499 1HG2 VAL 67 1HG2 VAL 67 0.941 -6.734 -11.631 500 2HG2 VAL 67 2HG2 VAL 67 2.594 -6.509 -12.199 501 3HG2 VAL 67 3HG2 VAL 67 1.269 -5.656 -12.986 502 H ASN 68 H ASN 68 2.465 -1.453 -11.421 503 HA ASN 68 HA ASN 68 3.860 -1.090 -8.799 504 1HB ASN 68 2HB ASN 68 3.453 0.787 -11.139 505 2HB ASN 68 1HB ASN 68 3.979 1.351 -9.554 506 1HD2 ASN 68 1HD2 ASN 68 5.039 -0.169 -12.493 507 2HD2 ASN 68 2HD2 ASN 68 6.638 -0.466 -12.008 508 HA PRO 69 HA PRO 69 0.059 0.273 -7.048 509 1HB PRO 69 2HB PRO 69 0.997 2.089 -5.204 510 2HB PRO 69 1HB PRO 69 1.153 0.335 -5.020 511 1HG PRO 69 2HG PRO 69 3.240 2.338 -5.741 512 2HG PRO 69 1HG PRO 69 3.423 0.761 -4.957 513 1HD PRO 69 2HD PRO 69 3.946 1.336 -7.681 514 2HD PRO 69 1HD PRO 69 3.824 -0.281 -6.957 515 H ALA 70 H ALA 70 -0.044 1.428 -9.402 516 HA ALA 70 HA ALA 70 -0.544 4.334 -8.887 517 1HB ALA 70 1HB ALA 70 0.951 3.005 -11.111 518 2HB ALA 70 2HB ALA 70 1.306 4.509 -10.265 519 3HB ALA 70 3HB ALA 70 0.024 4.460 -11.475 520 H GLN 71 H GLN 71 -1.960 1.400 -9.754 521 HA GLN 71 HA GLN 71 -4.186 2.830 -11.151 522 1HB GLN 71 2HB GLN 71 -4.595 0.786 -12.459 523 2HB GLN 71 1HB GLN 71 -2.949 1.357 -12.714 524 1HG GLN 71 2HG GLN 71 -2.484 -0.276 -10.636 525 2HG GLN 71 1HG GLN 71 -3.913 -1.078 -11.289 526 1HE2 GLN 71 1HE2 GLN 71 -0.535 -0.264 -11.957 527 2HE2 GLN 71 2HE2 GLN 71 -0.395 -1.219 -13.353 528 HA PRO 72 HA PRO 72 -6.885 1.134 -8.133 529 1HB PRO 72 2HB PRO 72 -9.137 0.611 -9.624 530 2HB PRO 72 1HB PRO 72 -8.621 2.239 -9.152 531 1HG PRO 72 2HG PRO 72 -8.431 0.907 -11.814 532 2HG PRO 72 1HG PRO 72 -8.554 2.631 -11.429 533 1HD PRO 72 2HD PRO 72 -6.190 1.275 -12.157 534 2HD PRO 72 1HD PRO 72 -6.274 2.887 -11.418 535 H ALA 73 H ALA 73 -8.016 -0.822 -7.407 536 HA ALA 73 HA ALA 73 -6.701 -3.262 -8.039 537 1HB ALA 73 1HB ALA 73 -7.720 -3.753 -6.092 538 2HB ALA 73 2HB ALA 73 -9.225 -3.946 -6.989 539 3HB ALA 73 3HB ALA 73 -8.822 -2.388 -6.273 540 H GLY 74 H GLY 74 -9.789 -1.926 -9.221 541 1HA GLY 74 2HA GLY 74 -10.720 -4.209 -10.636 542 2HA GLY 74 1HA GLY 74 -11.109 -2.542 -11.061 543 H ASN 75 H ASN 75 -8.511 -1.597 -11.639 544 HA ASN 75 HA ASN 75 -8.155 -2.565 -14.342 545 1HB ASN 75 2HB ASN 75 -7.489 -0.257 -13.021 546 2HB ASN 75 1HB ASN 75 -5.921 -1.056 -13.130 547 1HD2 ASN 75 1HD2 ASN 75 -4.965 -1.307 -15.241 548 2HD2 ASN 75 2HD2 ASN 75 -5.639 -0.610 -16.634 549 H ILE 76 H ILE 76 -6.499 -3.160 -11.263 550 HA ILE 76 HA ILE 76 -4.188 -4.499 -12.254 551 HB ILE 76 HB ILE 76 -5.748 -4.862 -9.677 552 1HG1 ILE 76 2HG1 ILE 76 -4.621 -2.636 -10.203 553 2HG1 ILE 76 1HG1 ILE 76 -4.106 -3.413 -8.709 554 1HG2 ILE 76 1HG2 ILE 76 -4.507 -6.895 -9.988 555 2HG2 ILE 76 2HG2 ILE 76 -3.585 -5.907 -8.855 556 3HG2 ILE 76 3HG2 ILE 76 -3.084 -6.013 -10.543 557 1HD1 ILE 76 1HD1 ILE 76 -2.517 -2.692 -11.003 558 2HD1 ILE 76 2HD1 ILE 76 -2.431 -4.434 -10.758 559 3HD1 ILE 76 3HD1 ILE 76 -1.982 -3.336 -9.453 560 H PHE 77 H PHE 77 -7.419 -5.761 -11.394 561 HA PHE 77 HA PHE 77 -6.777 -8.508 -12.032 562 1HB PHE 77 2HB PHE 77 -8.766 -7.440 -10.627 563 2HB PHE 77 1HB PHE 77 -9.589 -7.491 -12.186 564 HD1 PHE 77 HD1 PHE 77 -9.823 -9.677 -13.403 565 HD2 PHE 77 HD2 PHE 77 -8.330 -9.439 -9.382 566 HE1 PHE 77 HE1 PHE 77 -10.238 -12.103 -13.105 567 HE2 PHE 77 HE2 PHE 77 -8.746 -11.865 -9.084 568 HZ PHE 77 HZ PHE 77 -9.699 -13.198 -10.945 569 H LEU 78 H LEU 78 -8.255 -5.833 -13.866 570 HA LEU 78 HA LEU 78 -8.987 -7.403 -16.164 571 1HB LEU 78 2HB LEU 78 -8.450 -4.452 -15.776 572 2HB LEU 78 1HB LEU 78 -8.925 -5.124 -17.336 573 HG LEU 78 HG LEU 78 -10.520 -5.758 -14.869 574 1HD1 LEU 78 1HD1 LEU 78 -11.421 -3.521 -16.604 575 2HD1 LEU 78 2HD1 LEU 78 -10.101 -3.169 -15.489 576 3HD1 LEU 78 3HD1 LEU 78 -11.643 -3.762 -14.872 577 1HD2 LEU 78 1HD2 LEU 78 -11.200 -7.065 -16.710 578 2HD2 LEU 78 2HD2 LEU 78 -10.956 -5.745 -17.854 579 3HD2 LEU 78 3HD2 LEU 78 -12.328 -5.710 -16.745 580 H LYS 79 H LYS 79 -6.049 -5.564 -15.345 581 HA LYS 79 HA LYS 79 -4.773 -6.114 -17.907 582 1HB LYS 79 2HB LYS 79 -4.247 -4.498 -15.578 583 2HB LYS 79 1HB LYS 79 -2.810 -5.432 -15.991 584 1HG LYS 79 2HG LYS 79 -2.795 -4.581 -18.235 585 2HG LYS 79 1HG LYS 79 -4.390 -3.853 -18.033 586 1HD LYS 79 2HD LYS 79 -3.546 -2.023 -17.000 587 2HD LYS 79 1HD LYS 79 -2.447 -2.985 -16.010 588 1HE LYS 79 2HE LYS 79 -0.995 -3.281 -18.047 589 2HE LYS 79 1HE LYS 79 -2.032 -2.123 -18.882 590 1HZ LYS 79 1HZ LYS 79 -0.053 -1.679 -16.811 591 2HZ LYS 79 2HZ LYS 79 -1.496 -0.800 -16.624 592 3HZ LYS 79 3HZ LYS 79 -0.584 -0.646 -18.045 593 H HIS 80 H HIS 80 -4.109 -7.227 -14.557 594 HA HIS 80 HA HIS 80 -2.573 -9.502 -15.730 595 1HB HIS 80 2HB HIS 80 -2.564 -8.703 -12.816 596 2HB HIS 80 1HB HIS 80 -1.340 -9.603 -13.712 597 HD1 HIS 80 HD1 HIS 80 -0.144 -8.137 -15.719 598 HD2 HIS 80 HD2 HIS 80 -2.054 -5.977 -12.707 599 HE1 HIS 80 HE1 HIS 80 0.713 -5.760 -15.886 600 H GLY 81 H GLY 81 -4.715 -8.944 -12.893 601 1HA GLY 81 2HA GLY 81 -6.837 -10.361 -12.917 602 2HA GLY 81 1HA GLY 81 -5.779 -11.709 -13.330 603 H SER 82 H SER 82 -5.601 -13.002 -11.576 604 HA SER 82 HA SER 82 -5.395 -11.735 -8.880 605 1HB SER 82 2HB SER 82 -6.035 -13.972 -8.010 606 2HB SER 82 1HB SER 82 -7.246 -13.319 -9.106 607 HG SER 82 HG SER 82 -6.938 -15.316 -9.869 608 H GLU 83 H GLU 83 -3.793 -14.008 -11.087 609 HA GLU 83 HA GLU 83 -1.793 -14.917 -9.239 610 1HB GLU 83 2HB GLU 83 -2.225 -15.031 -12.166 611 2HB GLU 83 1HB GLU 83 -0.542 -15.129 -11.650 612 1HG GLU 83 2HG GLU 83 -1.358 -17.381 -11.683 613 2HG GLU 83 1HG GLU 83 -1.277 -16.911 -9.986 614 H LEU 84 H LEU 84 -0.540 -13.475 -8.179 615 HA LEU 84 HA LEU 84 1.062 -11.551 -9.796 616 1HB LEU 84 2HB LEU 84 -0.618 -10.929 -7.362 617 2HB LEU 84 1HB LEU 84 0.753 -9.920 -7.819 618 HG LEU 84 HG LEU 84 -1.277 -10.623 -9.911 619 1HD1 LEU 84 1HD1 LEU 84 -2.764 -9.873 -8.221 620 2HD1 LEU 84 2HD1 LEU 84 -2.451 -8.442 -9.203 621 3HD1 LEU 84 3HD1 LEU 84 -1.631 -8.647 -7.655 622 1HD2 LEU 84 1HD2 LEU 84 1.032 -9.095 -9.847 623 2HD2 LEU 84 2HD2 LEU 84 -0.236 -7.884 -9.663 624 3HD2 LEU 84 3HD2 LEU 84 -0.240 -8.959 -11.060 625 H ARG 85 H ARG 85 2.879 -10.627 -8.315 626 HA ARG 85 HA ARG 85 3.770 -12.590 -6.263 627 1HB ARG 85 2HB ARG 85 4.975 -12.130 -8.924 628 2HB ARG 85 1HB ARG 85 6.116 -12.114 -7.579 629 1HG ARG 85 2HG ARG 85 5.890 -14.339 -7.211 630 2HG ARG 85 1HG ARG 85 4.139 -14.286 -7.423 631 1HD ARG 85 2HD ARG 85 4.329 -14.379 -9.804 632 2HD ARG 85 1HD ARG 85 6.068 -14.081 -9.743 633 HE ARG 85 HE ARG 85 4.758 -16.623 -8.874 634 1HH1 ARG 85 1HH2 ARG 85 7.533 -15.797 -7.779 635 2HH1 ARG 85 2HH2 ARG 85 8.568 -16.687 -8.844 636 1HH2 ARG 85 2HH1 ARG 85 6.067 -17.332 -11.168 637 2HH2 ARG 85 1HH1 ARG 85 7.736 -17.559 -10.766 638 H LEU 86 H LEU 86 5.333 -11.704 -4.786 639 HA LEU 86 HA LEU 86 5.374 -8.725 -4.790 640 1HB LEU 86 2HB LEU 86 4.505 -10.113 -2.781 641 2HB LEU 86 1HB LEU 86 6.205 -10.462 -2.471 642 HG LEU 86 HG LEU 86 6.079 -7.691 -2.979 643 1HD1 LEU 86 1HD1 LEU 86 3.618 -7.891 -2.581 644 2HD1 LEU 86 2HD1 LEU 86 4.427 -6.884 -1.380 645 3HD1 LEU 86 3HD1 LEU 86 3.962 -8.537 -0.977 646 1HD2 LEU 86 1HD2 LEU 86 7.622 -8.793 -1.430 647 2HD2 LEU 86 2HD2 LEU 86 6.280 -9.248 -0.380 648 3HD2 LEU 86 3HD2 LEU 86 6.712 -7.549 -0.573 649 H ILE 87 H ILE 87 7.197 -7.841 -5.567 650 HA ILE 87 HA ILE 87 9.782 -9.278 -5.127 651 HB ILE 87 HB ILE 87 9.170 -9.135 -7.516 652 1HG1 ILE 87 2HG1 ILE 87 11.387 -7.153 -6.929 653 2HG1 ILE 87 1HG1 ILE 87 11.571 -8.891 -6.686 654 1HG2 ILE 87 1HG2 ILE 87 8.490 -6.397 -6.740 655 2HG2 ILE 87 2HG2 ILE 87 7.977 -7.321 -8.145 656 3HG2 ILE 87 3HG2 ILE 87 9.508 -6.451 -8.175 657 1HD1 ILE 87 1HD1 ILE 87 10.844 -7.547 -9.305 658 2HD1 ILE 87 2HD1 ILE 87 11.016 -9.285 -9.059 659 3HD1 ILE 87 3HD1 ILE 87 12.419 -8.228 -8.901 660 HA PRO 88 HA PRO 88 10.835 -5.707 -2.731 661 1HB PRO 88 2HB PRO 88 13.486 -6.363 -2.380 662 2HB PRO 88 1HB PRO 88 12.163 -7.096 -1.460 663 1HG PRO 88 2HG PRO 88 13.775 -8.252 -3.688 664 2HG PRO 88 1HG PRO 88 12.939 -9.077 -2.361 665 1HD PRO 88 2HD PRO 88 12.010 -8.884 -5.018 666 2HD PRO 88 1HD PRO 88 11.040 -9.369 -3.611 667 H ARG 89 H ARG 89 10.501 -4.412 -4.785 668 HA ARG 89 HA ARG 89 12.884 -3.824 -6.414 669 1HB ARG 89 2HB ARG 89 9.987 -3.256 -6.533 670 2HB ARG 89 1HB ARG 89 11.004 -1.926 -7.084 671 1HG ARG 89 2HG ARG 89 12.250 -3.898 -8.382 672 2HG ARG 89 1HG ARG 89 10.664 -4.660 -8.241 673 1HD ARG 89 2HD ARG 89 9.912 -2.178 -9.014 674 2HD ARG 89 1HD ARG 89 11.485 -2.269 -9.802 675 HE ARG 89 HE ARG 89 10.661 -4.289 -10.996 676 1HH1 ARG 89 2HH1 ARG 89 8.890 -2.113 -11.938 677 2HH1 ARG 89 1HH1 ARG 89 7.304 -2.755 -11.664 678 1HH2 ARG 89 1HH2 ARG 89 8.393 -5.230 -9.486 679 2HH2 ARG 89 2HH2 ARG 89 7.024 -4.523 -10.273 680 H ASP 90 H ASP 90 14.391 -2.725 -5.175 681 HA ASP 90 HA ASP 90 13.715 0.016 -4.310 682 1HB ASP 90 2HB ASP 90 14.520 -0.300 -2.014 683 2HB ASP 90 1HB ASP 90 13.172 -1.391 -2.323 684 H ARG 91 H ARG 91 15.845 0.998 -3.282 685 HA ARG 91 HA ARG 91 17.993 0.539 -5.226 686 1HB ARG 91 2HB ARG 91 17.331 2.590 -3.166 687 2HB ARG 91 1HB ARG 91 19.045 2.361 -3.521 688 1HG ARG 91 2HG ARG 91 17.337 2.474 -5.919 689 2HG ARG 91 1HG ARG 91 17.345 3.963 -4.976 690 1HD ARG 91 2HD ARG 91 19.238 4.428 -6.137 691 2HD ARG 91 1HD ARG 91 20.012 3.339 -4.985 692 HE ARG 91 HE ARG 91 19.000 2.438 -7.657 693 1HH1 ARG 91 1HH2 ARG 91 20.331 1.171 -4.898 694 2HH1 ARG 91 2HH2 ARG 91 21.715 0.463 -5.657 695 1HH2 ARG 91 2HH1 ARG 91 21.187 2.060 -8.692 696 2HH2 ARG 91 1HH1 ARG 91 22.206 0.972 -7.809 697 H VAL 92 H VAL 92 18.040 0.799 -1.635 698 HA VAL 92 HA VAL 92 19.990 -1.471 -1.626 699 HB VAL 92 HB VAL 92 21.289 0.528 -1.246 700 1HG1 VAL 92 1HG1 VAL 92 20.567 1.910 0.884 701 2HG1 VAL 92 2HG1 VAL 92 18.974 1.243 0.534 702 3HG1 VAL 92 3HG1 VAL 92 19.798 2.233 -0.669 703 1HG2 VAL 92 1HG2 VAL 92 20.644 -0.746 1.436 704 2HG2 VAL 92 2HG2 VAL 92 22.118 0.135 1.038 705 3HG2 VAL 92 3HG2 VAL 92 21.772 -1.406 0.252 706 H GLY 93 H GLY 93 19.963 -2.772 0.279 707 1HA GLY 93 2HA GLY 93 19.024 -3.015 2.615 708 2HA GLY 93 1HA GLY 93 17.477 -2.517 1.923 709 H HIS 94 HN HIS 94 16.584 -3.927 0.199 710 HA HIS 94 HA HIS 94 17.626 -6.606 -0.176 711 1HB HIS 94 2HB HIS 94 15.704 -7.767 0.980 712 2HB HIS 94 1HB HIS 94 16.808 -6.953 2.087 713 HD1 HIS 94 HD1 HIS 94 15.990 -4.466 2.894 714 HD2 HIS 94 HD2 HIS 94 13.061 -6.887 1.172 715 HE1 HIS 94 HE1 HIS 94 13.760 -3.431 3.491 Start of MODEL 12 1 1H MET 1 1H MET 1 -37.913 -0.624 -23.781 2 2H MET 1 2H MET 1 -38.080 0.974 -24.332 3 3H MET 1 3H MET 1 -39.110 -0.243 -24.919 4 HA MET 1 HA MET 1 -40.363 0.993 -23.370 5 1HB MET 1 2HB MET 1 -40.835 -0.714 -21.635 6 2HB MET 1 1HB MET 1 -40.682 -1.435 -23.233 7 1HG MET 1 2HG MET 1 -38.651 -2.452 -22.727 8 2HG MET 1 1HG MET 1 -38.246 -1.267 -21.491 9 1HE MET 1 1HE MET 1 -38.750 -3.092 -18.457 10 2HE MET 1 2HE MET 1 -38.283 -1.604 -19.280 11 3HE MET 1 3HE MET 1 -37.516 -3.127 -19.724 12 H SER 2 H SER 2 -37.164 0.136 -22.094 13 HA SER 2 HA SER 2 -37.552 2.093 -19.877 14 1HB SER 2 2HB SER 2 -36.340 -0.468 -19.971 15 2HB SER 2 1HB SER 2 -35.032 0.691 -19.750 16 HG SER 2 HG SER 2 -35.890 0.149 -17.748 17 H GLY 3 H GLY 3 -35.340 1.257 -22.561 18 1HA GLY 3 2HA GLY 3 -34.157 2.815 -23.923 19 2HA GLY 3 1HA GLY 3 -34.575 4.095 -22.786 20 H GLY 4 H GLY 4 -33.350 4.200 -20.763 21 1HA GLY 4 2HA GLY 4 -30.598 3.080 -21.085 22 2HA GLY 4 1HA GLY 4 -30.969 4.586 -20.248 23 H THR 5 H THR 5 -30.930 1.102 -19.993 24 HA THR 5 HA THR 5 -31.961 1.186 -17.212 25 HB THR 5 HB THR 5 -31.088 -1.141 -18.962 26 HG1 THR 5 HG1 THR 5 -32.995 -0.733 -19.747 27 1HG2 THR 5 1HG2 THR 5 -32.784 -1.549 -16.561 28 2HG2 THR 5 2HG2 THR 5 -31.092 -1.160 -16.256 29 3HG2 THR 5 3HG2 THR 5 -31.512 -2.570 -17.231 30 H ALA 6 H ALA 6 -30.484 1.639 -15.638 31 HA ALA 6 HA ALA 6 -27.603 1.201 -16.141 32 1HB ALA 6 1HB ALA 6 -28.626 2.209 -13.520 33 2HB ALA 6 2HB ALA 6 -28.828 3.243 -14.936 34 3HB ALA 6 3HB ALA 6 -27.216 2.723 -14.446 35 H ALA 7 H ALA 7 -26.476 -0.504 -15.311 36 HA ALA 7 HA ALA 7 -27.892 -2.590 -13.840 37 1HB ALA 7 1HB ALA 7 -25.049 -2.248 -14.801 38 2HB ALA 7 2HB ALA 7 -26.270 -3.382 -15.380 39 3HB ALA 7 3HB ALA 7 -25.527 -3.618 -13.797 40 H THR 8 H THR 8 -28.100 -2.641 -11.658 41 HA THR 8 HA THR 8 -26.476 -0.819 -9.990 42 HB THR 8 HB THR 8 -28.769 -2.671 -9.251 43 HG1 THR 8 HG1 THR 8 -29.825 -1.150 -10.236 44 1HG2 THR 8 1HG2 THR 8 -27.296 -2.137 -7.342 45 2HG2 THR 8 2HG2 THR 8 -28.864 -1.346 -7.178 46 3HG2 THR 8 3HG2 THR 8 -27.459 -0.418 -7.701 47 H THR 9 H THR 9 -24.607 -1.541 -9.087 48 HA THR 9 HA THR 9 -24.076 -4.450 -8.947 49 HB THR 9 HB THR 9 -22.249 -2.122 -8.266 50 HG1 THR 9 HG1 THR 9 -22.369 -1.885 -10.356 51 1HG2 THR 9 1HG2 THR 9 -21.486 -4.189 -7.259 52 2HG2 THR 9 2HG2 THR 9 -20.475 -3.854 -8.664 53 3HG2 THR 9 3HG2 THR 9 -21.749 -5.068 -8.765 54 H ALA 10 H ALA 10 -24.404 -5.570 -7.089 55 HA ALA 10 HA ALA 10 -25.158 -4.190 -4.629 56 1HB ALA 10 1HB ALA 10 -25.312 -6.519 -3.702 57 2HB ALA 10 2HB ALA 10 -24.717 -7.127 -5.248 58 3HB ALA 10 3HB ALA 10 -26.264 -6.284 -5.168 59 H GLY 11 H GLY 11 -22.399 -6.280 -5.601 60 1HA GLY 11 2HA GLY 11 -20.541 -4.760 -3.992 61 2HA GLY 11 1HA GLY 11 -20.959 -6.277 -3.196 62 H SER 12 H SER 12 -19.601 -4.927 -6.202 63 HA SER 12 HA SER 12 -18.528 -7.592 -6.942 64 1HB SER 12 2HB SER 12 -17.750 -6.436 -9.007 65 2HB SER 12 1HB SER 12 -19.483 -6.255 -8.757 66 HG SER 12 HG SER 12 -17.815 -4.344 -9.153 67 H LYS 13 H LYS 13 -16.503 -8.186 -6.338 68 HA LYS 13 HA LYS 13 -14.490 -6.046 -5.810 69 1HB LYS 13 2HB LYS 13 -14.974 -8.462 -4.038 70 2HB LYS 13 1HB LYS 13 -13.735 -7.230 -3.799 71 1HG LYS 13 2HG LYS 13 -15.420 -5.513 -3.473 72 2HG LYS 13 1HG LYS 13 -16.709 -6.643 -3.879 73 1HD LYS 13 2HD LYS 13 -16.350 -7.921 -1.891 74 2HD LYS 13 1HD LYS 13 -14.817 -7.112 -1.565 75 1HE LYS 13 2HE LYS 13 -16.149 -4.943 -1.375 76 2HE LYS 13 1HE LYS 13 -17.603 -5.940 -1.385 77 1HZ LYS 13 1HZ LYS 13 -16.330 -5.285 0.834 78 2HZ LYS 13 2HZ LYS 13 -15.491 -6.719 0.471 79 3HZ LYS 13 3HZ LYS 13 -17.178 -6.742 0.666 80 H VAL 14 H VAL 14 -12.262 -6.802 -5.945 81 HA VAL 14 HA VAL 14 -11.971 -9.194 -7.719 82 HB VAL 14 HB VAL 14 -9.821 -8.033 -8.459 83 1HG1 VAL 14 1HG1 VAL 14 -12.424 -7.795 -9.349 84 2HG1 VAL 14 2HG1 VAL 14 -11.001 -7.213 -10.213 85 3HG1 VAL 14 3HG1 VAL 14 -11.922 -6.112 -9.189 86 1HG2 VAL 14 1HG2 VAL 14 -9.410 -5.799 -7.887 87 2HG2 VAL 14 2HG2 VAL 14 -9.994 -6.462 -6.362 88 3HG2 VAL 14 3HG2 VAL 14 -11.075 -5.516 -7.384 89 H THR 15 H THR 15 -10.515 -10.770 -7.132 90 HA THR 15 HA THR 15 -9.237 -10.488 -4.455 91 HB THR 15 HB THR 15 -8.825 -13.089 -5.085 92 HG1 THR 15 HG1 THR 15 -10.401 -13.860 -6.352 93 1HG2 THR 15 1HG2 THR 15 -11.575 -12.736 -4.202 94 2HG2 THR 15 2HG2 THR 15 -10.477 -11.627 -3.379 95 3HG2 THR 15 3HG2 THR 15 -10.186 -13.366 -3.316 96 H PHE 16 H PHE 16 -7.004 -10.939 -4.170 97 HA PHE 16 HA PHE 16 -5.393 -11.217 -6.669 98 1HB PHE 16 2HB PHE 16 -4.843 -9.276 -4.402 99 2HB PHE 16 1HB PHE 16 -3.775 -9.563 -5.773 100 HD1 PHE 16 HD1 PHE 16 -4.866 -9.289 -8.155 101 HD2 PHE 16 HD2 PHE 16 -6.463 -7.583 -4.548 102 HE1 PHE 16 HE1 PHE 16 -6.139 -7.639 -9.498 103 HE2 PHE 16 HE2 PHE 16 -7.734 -5.934 -5.895 104 HZ PHE 16 HZ PHE 16 -7.573 -5.963 -8.367 105 H LYS 17 H LYS 17 -3.595 -12.512 -6.459 106 HA LYS 17 HA LYS 17 -3.078 -13.700 -3.759 107 1HB LYS 17 2HB LYS 17 -3.173 -14.943 -6.501 108 2HB LYS 17 1HB LYS 17 -2.150 -15.653 -5.253 109 1HG LYS 17 2HG LYS 17 -3.966 -16.700 -4.437 110 2HG LYS 17 1HG LYS 17 -4.623 -15.122 -4.002 111 1HD LYS 17 2HD LYS 17 -5.682 -14.911 -6.186 112 2HD LYS 17 1HD LYS 17 -4.943 -16.418 -6.724 113 1HE LYS 17 2HE LYS 17 -6.266 -17.727 -5.266 114 2HE LYS 17 1HE LYS 17 -6.708 -16.335 -4.279 115 1HZ LYS 17 1HZ LYS 17 -7.755 -15.486 -6.463 116 2HZ LYS 17 2HZ LYS 17 -8.577 -16.665 -5.558 117 3HZ LYS 17 3HZ LYS 17 -7.698 -17.112 -6.942 118 H ILE 18 H ILE 18 -1.311 -12.524 -3.115 119 HA ILE 18 HA ILE 18 0.884 -12.056 -5.062 120 HB ILE 18 HB ILE 18 0.466 -10.986 -2.249 121 1HG1 ILE 18 2HG1 ILE 18 0.349 -8.856 -3.972 122 2HG1 ILE 18 1HG1 ILE 18 -0.415 -10.119 -4.938 123 1HG2 ILE 18 1HG2 ILE 18 2.865 -11.209 -3.240 124 2HG2 ILE 18 2HG2 ILE 18 2.375 -9.655 -2.568 125 3HG2 ILE 18 3HG2 ILE 18 2.371 -9.900 -4.314 126 1HD1 ILE 18 1HD1 ILE 18 -2.132 -10.454 -3.370 127 2HD1 ILE 18 2HD1 ILE 18 -1.905 -8.706 -3.329 128 3HD1 ILE 18 3HD1 ILE 18 -1.210 -9.715 -2.061 129 H THR 19 H THR 19 2.632 -13.360 -5.050 130 HA THR 19 HA THR 19 3.241 -14.919 -2.566 131 HB THR 19 HB THR 19 3.746 -15.849 -5.414 132 HG1 THR 19 HG1 THR 19 1.726 -16.369 -5.402 133 1HG2 THR 19 1HG2 THR 19 4.770 -17.644 -4.487 134 2HG2 THR 19 2HG2 THR 19 3.541 -17.803 -3.233 135 3HG2 THR 19 3HG2 THR 19 4.872 -16.665 -3.025 136 H LEU 20 H LEU 20 5.239 -14.449 -1.763 137 HA LEU 20 HA LEU 20 6.971 -12.515 -2.870 138 1HB LEU 20 2HB LEU 20 6.881 -13.915 -0.506 139 2HB LEU 20 1HB LEU 20 8.335 -14.570 -1.258 140 HG LEU 20 HG LEU 20 8.190 -11.685 -1.593 141 1HD1 LEU 20 1HD1 LEU 20 8.860 -11.588 1.039 142 2HD1 LEU 20 2HD1 LEU 20 7.603 -12.825 1.079 143 3HD1 LEU 20 3HD1 LEU 20 7.245 -11.224 0.432 144 1HD2 LEU 20 1HD2 LEU 20 10.388 -12.279 -0.033 145 2HD2 LEU 20 2HD2 LEU 20 10.356 -12.336 -1.796 146 3HD2 LEU 20 3HD2 LEU 20 10.092 -13.807 -0.861 147 H THR 21 H THR 21 8.683 -12.594 -4.284 148 HA THR 21 HA THR 21 8.877 -14.734 -6.168 149 HB THR 21 HB THR 21 11.069 -13.549 -6.814 150 HG1 THR 21 HG1 THR 21 11.735 -12.008 -5.566 151 1HG2 THR 21 1HG2 THR 21 9.693 -11.380 -7.399 152 2HG2 THR 21 2HG2 THR 21 8.338 -12.305 -6.751 153 3HG2 THR 21 3HG2 THR 21 9.251 -12.925 -8.127 154 H SER 22 H SER 22 10.961 -13.877 -3.385 155 HA SER 22 HA SER 22 12.864 -15.996 -3.779 156 1HB SER 22 2HB SER 22 12.129 -14.173 -1.532 157 2HB SER 22 1HB SER 22 13.046 -15.622 -1.133 158 HG SER 22 HG SER 22 14.177 -13.556 -1.821 159 H ASP 23 H ASP 23 9.898 -15.775 -1.804 160 HA ASP 23 HA ASP 23 10.118 -18.459 -0.734 161 1HB ASP 23 2HB ASP 23 7.941 -16.382 -0.857 162 2HB ASP 23 1HB ASP 23 7.558 -18.021 -0.337 163 HA PRO 24 HA PRO 24 8.392 -20.787 -4.052 164 1HB PRO 24 2HB PRO 24 7.092 -22.759 -2.637 165 2HB PRO 24 1HB PRO 24 8.851 -22.684 -2.829 166 1HG PRO 24 2HG PRO 24 7.193 -22.021 -0.439 167 2HG PRO 24 1HG PRO 24 8.870 -22.585 -0.520 168 1HD PRO 24 2HD PRO 24 8.052 -19.921 -0.072 169 2HD PRO 24 1HD PRO 24 9.690 -20.443 -0.518 170 H LYS 25 H LYS 25 6.014 -22.124 -4.313 171 HA LYS 25 HA LYS 25 4.068 -19.927 -4.474 172 1HB LYS 25 2HB LYS 25 4.401 -22.618 -5.652 173 2HB LYS 25 1HB LYS 25 2.729 -22.132 -5.367 174 1HG LYS 25 2HG LYS 25 3.267 -19.950 -6.534 175 2HG LYS 25 1HG LYS 25 4.823 -20.650 -6.980 176 1HD LYS 25 2HD LYS 25 3.895 -21.859 -8.646 177 2HD LYS 25 1HD LYS 25 2.618 -22.459 -7.590 178 1HE LYS 25 2HE LYS 25 1.605 -21.160 -9.387 179 2HE LYS 25 1HE LYS 25 1.416 -20.286 -7.871 180 1HZ LYS 25 1HZ LYS 25 2.873 -18.689 -8.500 181 2HZ LYS 25 2HZ LYS 25 2.345 -19.143 -10.047 182 3HZ LYS 25 3HZ LYS 25 3.819 -19.734 -9.441 183 H LEU 26 H LEU 26 4.588 -22.748 -2.437 184 HA LEU 26 HA LEU 26 2.005 -23.225 -1.448 185 1HB LEU 26 2HB LEU 26 4.735 -23.729 -0.531 186 2HB LEU 26 1HB LEU 26 3.609 -23.488 0.806 187 HG LEU 26 HG LEU 26 2.327 -25.109 -1.180 188 1HD1 LEU 26 1HD1 LEU 26 4.729 -25.591 -1.822 189 2HD1 LEU 26 2HD1 LEU 26 3.801 -27.003 -1.320 190 3HD1 LEU 26 3HD1 LEU 26 4.954 -26.263 -0.208 191 1HD2 LEU 26 1HD2 LEU 26 1.804 -26.413 0.672 192 2HD2 LEU 26 2HD2 LEU 26 2.208 -24.891 1.465 193 3HD2 LEU 26 3HD2 LEU 26 3.394 -26.195 1.404 194 HA PRO 27 HA PRO 27 2.489 -19.782 1.814 195 1HB PRO 27 2HB PRO 27 4.790 -18.278 1.815 196 2HB PRO 27 1HB PRO 27 4.607 -19.787 2.726 197 1HG PRO 27 2HG PRO 27 6.144 -19.283 0.225 198 2HG PRO 27 1HG PRO 27 6.390 -20.527 1.461 199 1HD PRO 27 2HD PRO 27 5.149 -20.893 -1.067 200 2HD PRO 27 1HD PRO 27 5.165 -22.051 0.279 201 H PHE 28 H PHE 28 0.974 -18.402 0.893 202 HA PHE 28 HA PHE 28 1.975 -16.127 -0.711 203 1HB PHE 28 2HB PHE 28 0.277 -16.394 -2.460 204 2HB PHE 28 1HB PHE 28 1.313 -17.817 -2.401 205 HD1 PHE 28 HD1 PHE 28 0.472 -19.962 -1.614 206 HD2 PHE 28 HD2 PHE 28 -2.047 -16.484 -1.646 207 HE1 PHE 28 HE1 PHE 28 -1.517 -21.400 -1.265 208 HE2 PHE 28 HE2 PHE 28 -4.035 -17.923 -1.297 209 HZ PHE 28 HZ PHE 28 -3.771 -20.380 -1.106 210 H LYS 29 H LYS 29 0.358 -14.363 -0.836 211 HA LYS 29 HA LYS 29 -1.527 -14.464 1.487 212 1HB LYS 29 2HB LYS 29 0.400 -12.459 0.534 213 2HB LYS 29 1HB LYS 29 -1.196 -11.789 0.876 214 1HG LYS 29 2HG LYS 29 -0.392 -11.699 3.013 215 2HG LYS 29 1HG LYS 29 -0.886 -13.390 3.043 216 1HD LYS 29 2HD LYS 29 1.505 -13.817 2.039 217 2HD LYS 29 1HD LYS 29 1.869 -12.232 2.721 218 1HE LYS 29 2HE LYS 29 2.071 -13.144 4.766 219 2HE LYS 29 1HE LYS 29 0.417 -13.744 4.676 220 1HZ LYS 29 1HZ LYS 29 2.887 -15.093 3.744 221 2HZ LYS 29 2HZ LYS 29 1.327 -15.630 3.330 222 3HZ LYS 29 3HZ LYS 29 1.818 -15.607 4.957 223 H VAL 30 H VAL 30 -3.661 -13.924 1.162 224 HA VAL 30 HA VAL 30 -4.495 -13.345 -1.651 225 HB VAL 30 HB VAL 30 -6.134 -14.502 0.631 226 1HG1 VAL 30 1HG1 VAL 30 -7.692 -13.523 -0.816 227 2HG1 VAL 30 2HG1 VAL 30 -7.562 -15.154 -1.475 228 3HG1 VAL 30 3HG1 VAL 30 -6.701 -13.820 -2.244 229 1HG2 VAL 30 1HG2 VAL 30 -6.000 -16.570 -0.927 230 2HG2 VAL 30 2HG2 VAL 30 -4.577 -16.188 0.044 231 3HG2 VAL 30 3HG2 VAL 30 -4.621 -15.754 -1.665 232 H LEU 31 H LEU 31 -5.317 -11.345 -2.043 233 HA LEU 31 HA LEU 31 -6.260 -9.730 0.297 234 1HB LEU 31 2HB LEU 31 -4.341 -9.142 -1.808 235 2HB LEU 31 1HB LEU 31 -5.649 -7.960 -1.797 236 HG LEU 31 HG LEU 31 -4.683 -8.652 0.892 237 1HD1 LEU 31 1HD1 LEU 31 -2.569 -8.797 -0.473 238 2HD1 LEU 31 2HD1 LEU 31 -2.554 -7.511 0.734 239 3HD1 LEU 31 3HD1 LEU 31 -2.836 -7.124 -0.964 240 1HD2 LEU 31 1HD2 LEU 31 -5.432 -6.234 -0.717 241 2HD2 LEU 31 2HD2 LEU 31 -4.472 -6.007 0.744 242 3HD2 LEU 31 3HD2 LEU 31 -6.054 -6.777 0.842 243 H SER 32 H SER 32 -8.442 -9.578 0.241 244 HA SER 32 HA SER 32 -9.814 -9.535 -2.411 245 1HB SER 32 2HB SER 32 -11.214 -9.871 0.242 246 2HB SER 32 1HB SER 32 -11.750 -10.378 -1.357 247 HG SER 32 HG SER 32 -10.815 -12.009 0.177 248 H VAL 33 H VAL 33 -10.149 -7.481 -3.089 249 HA VAL 33 HA VAL 33 -11.366 -5.542 -1.184 250 HB VAL 33 HB VAL 33 -9.893 -3.738 -2.204 251 1HG1 VAL 33 1HG1 VAL 33 -9.501 -4.691 0.056 252 2HG1 VAL 33 2HG1 VAL 33 -7.995 -4.232 -0.737 253 3HG1 VAL 33 3HG1 VAL 33 -8.469 -5.928 -0.663 254 1HG2 VAL 33 1HG2 VAL 33 -7.941 -4.331 -3.416 255 2HG2 VAL 33 2HG2 VAL 33 -9.217 -5.308 -4.139 256 3HG2 VAL 33 3HG2 VAL 33 -8.094 -6.036 -2.992 257 HA PRO 34 HA PRO 34 -13.958 -4.612 -4.607 258 1HB PRO 34 2HB PRO 34 -14.589 -1.993 -4.037 259 2HB PRO 34 1HB PRO 34 -15.268 -3.381 -3.170 260 1HG PRO 34 2HG PRO 34 -13.168 -1.455 -2.284 261 2HG PRO 34 1HG PRO 34 -14.316 -2.390 -1.311 262 1HD PRO 34 2HD PRO 34 -11.591 -3.017 -1.678 263 2HD PRO 34 1HD PRO 34 -12.832 -4.121 -1.046 264 H GLU 35 H GLU 35 -14.112 -3.241 -6.566 265 HA GLU 35 HA GLU 35 -11.612 -2.691 -7.797 266 1HB GLU 35 2HB GLU 35 -14.458 -1.958 -8.448 267 2HB GLU 35 1HB GLU 35 -13.134 -1.314 -9.419 268 1HG GLU 35 2HG GLU 35 -13.460 -3.265 -10.588 269 2HG GLU 35 1HG GLU 35 -12.382 -3.901 -9.346 270 H SER 36 H SER 36 -13.698 -0.637 -5.842 271 HA SER 36 HA SER 36 -12.648 1.913 -6.585 272 1HB SER 36 2HB SER 36 -14.241 0.809 -4.372 273 2HB SER 36 1HB SER 36 -13.245 2.184 -3.906 274 HG SER 36 HG SER 36 -15.374 2.689 -4.787 275 H THR 37 H THR 37 -11.553 -0.465 -4.158 276 HA THR 37 HA THR 37 -9.484 1.156 -3.012 277 HB THR 37 HB THR 37 -9.804 -1.853 -3.226 278 HG1 THR 37 HG1 THR 37 -11.288 -0.925 -1.881 279 1HG2 THR 37 1HG2 THR 37 -7.571 -0.192 -2.181 280 2HG2 THR 37 2HG2 THR 37 -7.553 -1.843 -2.800 281 3HG2 THR 37 3HG2 THR 37 -8.100 -1.525 -1.154 282 HA PRO 38 HA PRO 38 -6.789 1.087 -6.558 283 1HB PRO 38 2HB PRO 38 -4.865 2.696 -5.432 284 2HB PRO 38 1HB PRO 38 -6.375 3.308 -6.129 285 1HG PRO 38 2HG PRO 38 -5.609 3.032 -3.261 286 2HG PRO 38 1HG PRO 38 -6.751 4.157 -4.014 287 1HD PRO 38 2HD PRO 38 -7.431 1.807 -2.591 288 2HD PRO 38 1HD PRO 38 -8.522 2.759 -3.621 289 H PHE 39 H PHE 39 -4.514 0.438 -7.004 290 HA PHE 39 HA PHE 39 -3.733 -1.915 -5.552 291 1HB PHE 39 2HB PHE 39 -3.208 -1.170 -8.026 292 2HB PHE 39 1HB PHE 39 -1.787 -0.428 -7.291 293 HD1 PHE 39 HD1 PHE 39 0.136 -1.740 -7.210 294 HD2 PHE 39 HD2 PHE 39 -3.705 -3.656 -7.036 295 HE1 PHE 39 HE1 PHE 39 1.245 -3.954 -7.122 296 HE2 PHE 39 HE2 PHE 39 -2.595 -5.871 -6.949 297 HZ PHE 39 HZ PHE 39 -0.121 -6.020 -6.992 298 H THR 40 H THR 40 -3.122 1.439 -4.980 299 HA THR 40 HA THR 40 -0.572 1.314 -3.700 300 HB THR 40 HB THR 40 -1.412 3.341 -2.415 301 HG1 THR 40 HG1 THR 40 -3.464 3.706 -2.408 302 1HG2 THR 40 1HG2 THR 40 -1.766 4.715 -4.536 303 2HG2 THR 40 2HG2 THR 40 -1.662 3.193 -5.422 304 3HG2 THR 40 3HG2 THR 40 -0.287 3.756 -4.474 305 H ALA 41 H ALA 41 -3.880 0.926 -2.406 306 HA ALA 41 HA ALA 41 -2.970 0.273 0.280 307 1HB ALA 41 1HB ALA 41 -5.665 -0.331 -0.971 308 2HB ALA 41 2HB ALA 41 -5.240 1.236 -0.283 309 3HB ALA 41 3HB ALA 41 -5.296 -0.195 0.747 310 H VAL 42 H VAL 42 -3.997 -1.587 -2.585 311 HA VAL 42 HA VAL 42 -4.040 -4.175 -1.372 312 HB VAL 42 HB VAL 42 -3.288 -3.430 -4.222 313 1HG1 VAL 42 1HG1 VAL 42 -4.624 -6.003 -3.609 314 2HG1 VAL 42 2HG1 VAL 42 -2.956 -5.872 -3.052 315 3HG1 VAL 42 3HG1 VAL 42 -3.335 -5.649 -4.759 316 1HG2 VAL 42 1HG2 VAL 42 -5.469 -2.956 -4.533 317 2HG2 VAL 42 2HG2 VAL 42 -5.743 -3.171 -2.804 318 3HG2 VAL 42 3HG2 VAL 42 -5.924 -4.539 -3.904 319 H LEU 43 H LEU 43 -1.387 -2.422 -3.006 320 HA LEU 43 HA LEU 43 0.604 -4.464 -2.615 321 1HB LEU 43 2HB LEU 43 0.695 -2.491 -4.245 322 2HB LEU 43 1HB LEU 43 1.137 -1.494 -2.860 323 HG LEU 43 HG LEU 43 2.711 -3.955 -2.995 324 1HD1 LEU 43 1HD1 LEU 43 2.852 -3.943 -5.291 325 2HD1 LEU 43 2HD1 LEU 43 4.074 -2.717 -4.956 326 3HD1 LEU 43 3HD1 LEU 43 2.441 -2.232 -5.413 327 1HD2 LEU 43 1HD2 LEU 43 4.504 -2.445 -2.510 328 2HD2 LEU 43 2HD2 LEU 43 3.102 -1.817 -1.643 329 3HD2 LEU 43 3HD2 LEU 43 3.611 -1.069 -3.156 330 H LYS 44 H LYS 44 -0.383 -1.628 -0.708 331 HA LYS 44 HA LYS 44 1.702 -1.692 1.230 332 1HB LYS 44 2HB LYS 44 -0.788 -0.319 0.862 333 2HB LYS 44 1HB LYS 44 -0.737 -0.935 2.511 334 1HG LYS 44 2HG LYS 44 0.743 0.652 3.101 335 2HG LYS 44 1HG LYS 44 1.842 0.150 1.817 336 1HD LYS 44 2HD LYS 44 -0.517 1.667 0.887 337 2HD LYS 44 1HD LYS 44 0.593 2.586 1.905 338 1HE LYS 44 2HE LYS 44 2.353 2.394 0.402 339 2HE LYS 44 1HE LYS 44 1.738 0.893 -0.289 340 1HZ LYS 44 1HZ LYS 44 1.061 3.651 -0.934 341 2HZ LYS 44 2HZ LYS 44 -0.222 2.538 -0.957 342 3HZ LYS 44 3HZ LYS 44 1.141 2.289 -1.942 343 H PHE 45 H PHE 45 -1.474 -3.330 1.181 344 HA PHE 45 HA PHE 45 -1.091 -4.645 3.735 345 1HB PHE 45 2HB PHE 45 -3.073 -4.762 1.518 346 2HB PHE 45 1HB PHE 45 -2.956 -6.190 2.544 347 HD1 PHE 45 HD1 PHE 45 -4.212 -2.829 2.266 348 HD2 PHE 45 HD2 PHE 45 -3.084 -5.863 5.091 349 HE1 PHE 45 HE1 PHE 45 -5.507 -1.667 4.033 350 HE2 PHE 45 HE2 PHE 45 -4.380 -4.699 6.855 351 HZ PHE 45 HZ PHE 45 -5.591 -2.603 6.327 352 H ALA 46 H ALA 46 -0.604 -5.637 0.342 353 HA ALA 46 HA ALA 46 0.039 -8.373 0.844 354 1HB ALA 46 1HB ALA 46 -0.427 -7.385 -1.414 355 2HB ALA 46 2HB ALA 46 1.036 -8.367 -1.375 356 3HB ALA 46 3HB ALA 46 1.154 -6.608 -1.357 357 H ALA 47 H ALA 47 2.206 -5.532 0.501 358 HA ALA 47 HA ALA 47 4.635 -6.964 1.053 359 1HB ALA 47 1HB ALA 47 4.190 -4.527 0.103 360 2HB ALA 47 2HB ALA 47 5.676 -4.891 0.980 361 3HB ALA 47 3HB ALA 47 4.343 -4.077 1.802 362 H GLU 48 H GLU 48 2.389 -5.164 3.157 363 HA GLU 48 HA GLU 48 3.938 -5.432 5.571 364 1HB GLU 48 2HB GLU 48 1.274 -4.483 4.813 365 2HB GLU 48 1HB GLU 48 1.271 -5.306 6.370 366 1HG GLU 48 2HG GLU 48 3.357 -3.223 5.720 367 2HG GLU 48 1HG GLU 48 1.774 -2.763 6.345 368 H GLU 49 H GLU 49 1.354 -7.397 4.112 369 HA GLU 49 HA GLU 49 1.035 -9.241 6.276 370 1HB GLU 49 2HB GLU 49 0.396 -9.272 3.348 371 2HB GLU 49 1HB GLU 49 0.304 -10.782 4.252 372 1HG GLU 49 2HG GLU 49 -1.324 -9.895 5.762 373 2HG GLU 49 1HG GLU 49 -1.063 -8.248 5.184 374 H PHE 50 H PHE 50 3.341 -9.158 3.569 375 HA PHE 50 HA PHE 50 4.343 -11.844 4.159 376 1HB PHE 50 2HB PHE 50 4.880 -9.735 2.142 377 2HB PHE 50 1HB PHE 50 6.260 -10.748 2.567 378 HD1 PHE 50 HD1 PHE 50 3.439 -10.491 0.471 379 HD2 PHE 50 HD2 PHE 50 5.691 -13.357 2.746 380 HE1 PHE 50 HE1 PHE 50 2.518 -12.321 -0.921 381 HE2 PHE 50 HE2 PHE 50 4.767 -15.188 1.351 382 HZ PHE 50 HZ PHE 50 3.181 -14.670 -0.482 383 H LYS 51 H LYS 51 6.404 -8.971 3.832 384 HA LYS 51 HA LYS 51 7.177 -8.623 6.532 385 1HB LYS 51 2HB LYS 51 8.271 -11.030 5.289 386 2HB LYS 51 1HB LYS 51 9.547 -9.941 5.830 387 1HG LYS 51 2HG LYS 51 7.600 -9.963 7.887 388 2HG LYS 51 1HG LYS 51 7.841 -11.644 7.412 389 1HD LYS 51 2HD LYS 51 9.864 -11.700 8.397 390 2HD LYS 51 1HD LYS 51 10.380 -10.259 7.520 391 1HE LYS 51 2HE LYS 51 8.456 -9.618 9.617 392 2HE LYS 51 1HE LYS 51 9.887 -10.422 10.260 393 1HZ LYS 51 1HZ LYS 51 10.105 -7.982 10.107 394 2HZ LYS 51 2HZ LYS 51 9.965 -8.094 8.418 395 3HZ LYS 51 3HZ LYS 51 11.284 -8.811 9.214 396 H VAL 52 H VAL 52 6.893 -7.068 4.084 397 HA VAL 52 HA VAL 52 9.568 -5.769 4.086 398 HB VAL 52 HB VAL 52 9.341 -5.437 1.575 399 1HG1 VAL 52 1HG1 VAL 52 9.534 -8.366 1.914 400 2HG1 VAL 52 2HG1 VAL 52 10.551 -7.423 3.004 401 3HG1 VAL 52 3HG1 VAL 52 10.708 -7.225 1.260 402 1HG2 VAL 52 1HG2 VAL 52 6.838 -6.229 1.747 403 2HG2 VAL 52 2HG2 VAL 52 7.536 -7.843 1.610 404 3HG2 VAL 52 3HG2 VAL 52 7.790 -6.660 0.326 405 HA PRO 53 HA PRO 53 7.152 -2.098 4.246 406 1HB PRO 53 2HB PRO 53 8.999 -0.316 3.256 407 2HB PRO 53 1HB PRO 53 9.074 -1.008 4.885 408 1HG PRO 53 2HG PRO 53 10.728 -1.662 2.491 409 2HG PRO 53 1HG PRO 53 11.132 -1.817 4.209 410 1HD PRO 53 2HD PRO 53 10.355 -3.929 2.492 411 2HD PRO 53 1HD PRO 53 10.438 -4.001 4.266 412 H ALA 54 H ALA 54 5.577 -1.374 2.888 413 HA ALA 54 HA ALA 54 5.573 -1.952 0.064 414 1HB ALA 54 1HB ALA 54 3.418 -0.973 0.027 415 2HB ALA 54 2HB ALA 54 3.782 0.083 1.391 416 3HB ALA 54 3HB ALA 54 3.559 -1.648 1.650 417 H ALA 55 H ALA 55 6.542 0.865 1.935 418 HA ALA 55 HA ALA 55 6.437 2.877 -0.055 419 1HB ALA 55 1HB ALA 55 7.326 2.744 2.548 420 2HB ALA 55 2HB ALA 55 7.514 4.144 1.491 421 3HB ALA 55 3HB ALA 55 8.830 2.982 1.657 422 H THR 56 H THR 56 8.918 0.392 0.545 423 HA THR 56 HA THR 56 10.220 1.219 -2.023 424 HB THR 56 HB THR 56 12.325 0.209 -1.024 425 HG1 THR 56 HG1 THR 56 12.018 -0.821 0.763 426 1HG2 THR 56 1HG2 THR 56 12.378 2.531 -1.027 427 2HG2 THR 56 2HG2 THR 56 12.520 2.194 0.699 428 3HG2 THR 56 3HG2 THR 56 10.964 2.667 0.018 429 H SER 57 H SER 57 8.087 -0.533 -2.138 430 HA SER 57 HA SER 57 9.445 -3.041 -2.974 431 1HB SER 57 2HB SER 57 7.369 -2.792 -0.857 432 2HB SER 57 1HB SER 57 7.193 -4.132 -1.983 433 HG SER 57 HG SER 57 8.609 -4.288 0.045 434 H ALA 58 H ALA 58 8.169 -4.281 -4.509 435 HA ALA 58 HA ALA 58 5.866 -2.830 -5.730 436 1HB ALA 58 1HB ALA 58 8.503 -3.129 -6.870 437 2HB ALA 58 2HB ALA 58 7.106 -2.284 -7.530 438 3HB ALA 58 3HB ALA 58 7.328 -4.002 -7.852 439 H ILE 59 H ILE 59 4.783 -4.332 -7.421 440 HA ILE 59 HA ILE 59 4.996 -7.185 -6.540 441 HB ILE 59 HB ILE 59 2.566 -5.427 -6.805 442 1HG1 ILE 59 2HG1 ILE 59 3.222 -7.661 -4.864 443 2HG1 ILE 59 1HG1 ILE 59 3.713 -5.988 -4.603 444 1HG2 ILE 59 1HG2 ILE 59 1.863 -7.143 -8.257 445 2HG2 ILE 59 2HG2 ILE 59 1.280 -7.694 -6.687 446 3HG2 ILE 59 3HG2 ILE 59 2.750 -8.383 -7.372 447 1HD1 ILE 59 1HD1 ILE 59 1.577 -5.288 -4.151 448 2HD1 ILE 59 2HD1 ILE 59 1.374 -6.976 -3.688 449 3HD1 ILE 59 3HD1 ILE 59 0.851 -6.431 -5.280 450 H ILE 60 H ILE 60 5.603 -8.394 -8.262 451 HA ILE 60 HA ILE 60 5.022 -7.378 -10.996 452 HB ILE 60 HB ILE 60 6.644 -9.096 -11.754 453 1HG1 ILE 60 2HG1 ILE 60 7.736 -9.712 -9.125 454 2HG1 ILE 60 1HG1 ILE 60 6.074 -10.280 -9.269 455 1HG2 ILE 60 1HG2 ILE 60 7.562 -7.279 -9.512 456 2HG2 ILE 60 2HG2 ILE 60 7.525 -6.908 -11.234 457 3HG2 ILE 60 3HG2 ILE 60 8.658 -8.108 -10.616 458 1HD1 ILE 60 1HD1 ILE 60 7.808 -10.784 -11.622 459 2HD1 ILE 60 2HD1 ILE 60 6.597 -11.823 -10.872 460 3HD1 ILE 60 3HD1 ILE 60 8.208 -11.696 -10.166 461 H THR 61 H THR 61 4.530 -9.254 -12.623 462 HA THR 61 HA THR 61 2.298 -10.852 -11.453 463 HB THR 61 HB THR 61 2.830 -10.348 -14.393 464 HG1 THR 61 HG1 THR 61 1.388 -8.624 -14.183 465 1HG2 THR 61 1HG2 THR 61 0.201 -10.861 -12.999 466 2HG2 THR 61 2HG2 THR 61 1.229 -12.184 -13.550 467 3HG2 THR 61 3HG2 THR 61 0.583 -11.028 -14.713 468 H ASN 62 H ASN 62 2.075 -13.097 -12.099 469 HA ASN 62 HA ASN 62 4.437 -14.644 -11.961 470 1HB ASN 62 2HB ASN 62 1.628 -15.256 -12.863 471 2HB ASN 62 1HB ASN 62 2.889 -16.488 -12.950 472 1HD2 ASN 62 1HD2 ASN 62 3.989 -17.067 -10.860 473 2HD2 ASN 62 2HD2 ASN 62 3.168 -16.826 -9.394 474 H ASP 63 H ASP 63 2.918 -13.161 -14.755 475 HA ASP 63 HA ASP 63 4.339 -14.813 -16.708 476 1HB ASP 63 2HB ASP 63 2.148 -13.111 -16.825 477 2HB ASP 63 1HB ASP 63 3.410 -12.190 -17.643 478 H GLY 64 H GLY 64 4.645 -11.446 -15.507 479 1HA GLY 64 2HA GLY 64 7.226 -11.047 -15.063 480 2HA GLY 64 1HA GLY 64 7.310 -11.252 -16.813 481 H VAL 65 H VAL 65 5.096 -9.489 -14.603 482 HA VAL 65 HA VAL 65 5.671 -7.005 -16.169 483 HB VAL 65 HB VAL 65 2.926 -7.751 -15.119 484 1HG1 VAL 65 1HG1 VAL 65 2.174 -5.894 -16.463 485 2HG1 VAL 65 2HG1 VAL 65 3.770 -5.706 -17.191 486 3HG1 VAL 65 3HG1 VAL 65 3.526 -5.322 -15.487 487 1HG2 VAL 65 1HG2 VAL 65 3.437 -9.361 -16.843 488 2HG2 VAL 65 2HG2 VAL 65 4.140 -8.114 -17.875 489 3HG2 VAL 65 3HG2 VAL 65 2.403 -8.134 -17.574 490 H GLY 66 H GLY 66 6.488 -5.510 -14.799 491 1HA GLY 66 2HA GLY 66 6.341 -5.802 -11.918 492 2HA GLY 66 1HA GLY 66 7.091 -4.462 -12.783 493 H VAL 67 H VAL 67 4.060 -5.708 -11.521 494 HA VAL 67 HA VAL 67 2.442 -3.424 -12.277 495 HB VAL 67 HB VAL 67 1.922 -5.330 -9.975 496 1HG1 VAL 67 1HG1 VAL 67 -0.027 -4.226 -9.807 497 2HG1 VAL 67 2HG1 VAL 67 -0.377 -4.543 -11.506 498 3HG1 VAL 67 3HG1 VAL 67 0.523 -3.098 -11.046 499 1HG2 VAL 67 1HG2 VAL 67 0.510 -6.501 -11.823 500 2HG2 VAL 67 2HG2 VAL 67 2.247 -6.800 -11.793 501 3HG2 VAL 67 3HG2 VAL 67 1.570 -5.659 -12.954 502 H ASN 68 H ASN 68 2.321 -1.471 -11.295 503 HA ASN 68 HA ASN 68 3.740 -1.115 -8.687 504 1HB ASN 68 2HB ASN 68 3.194 0.762 -10.996 505 2HB ASN 68 1HB ASN 68 3.702 1.354 -9.415 506 1HD2 ASN 68 1HD2 ASN 68 4.867 0.136 -12.393 507 2HD2 ASN 68 2HD2 ASN 68 6.463 -0.175 -11.909 508 HA PRO 69 HA PRO 69 -0.023 0.101 -6.752 509 1HB PRO 69 2HB PRO 69 0.938 1.933 -4.935 510 2HB PRO 69 1HB PRO 69 1.160 0.183 -4.772 511 1HG PRO 69 2HG PRO 69 3.145 2.259 -5.569 512 2HG PRO 69 1HG PRO 69 3.414 0.681 -4.810 513 1HD PRO 69 2HD PRO 69 3.792 1.298 -7.550 514 2HD PRO 69 1HD PRO 69 3.756 -0.328 -6.838 515 H ALA 70 H ALA 70 -0.341 1.233 -9.042 516 HA ALA 70 HA ALA 70 -0.906 4.122 -8.522 517 1HB ALA 70 1HB ALA 70 0.634 4.663 -10.078 518 2HB ALA 70 2HB ALA 70 -0.424 3.916 -11.275 519 3HB ALA 70 3HB ALA 70 0.863 2.972 -10.524 520 H GLN 71 H GLN 71 -1.696 1.222 -10.445 521 HA GLN 71 HA GLN 71 -4.156 2.426 -11.499 522 1HB GLN 71 2HB GLN 71 -3.120 -0.425 -11.611 523 2HB GLN 71 1HB GLN 71 -4.518 0.181 -12.496 524 1HG GLN 71 2HG GLN 71 -3.058 0.679 -14.153 525 2HG GLN 71 1HG GLN 71 -2.546 2.022 -13.130 526 1HE2 GLN 71 1HE2 GLN 71 -1.835 -1.459 -13.738 527 2HE2 GLN 71 2HE2 GLN 71 -0.200 -1.354 -13.297 528 HA PRO 72 HA PRO 72 -6.901 1.051 -8.339 529 1HB PRO 72 2HB PRO 72 -9.169 0.622 -9.834 530 2HB PRO 72 1HB PRO 72 -8.558 2.232 -9.418 531 1HG PRO 72 2HG PRO 72 -8.433 0.793 -12.028 532 2HG PRO 72 1HG PRO 72 -8.449 2.534 -11.707 533 1HD PRO 72 2HD PRO 72 -6.170 1.001 -12.361 534 2HD PRO 72 1HD PRO 72 -6.160 2.646 -11.694 535 H ALA 73 H ALA 73 -8.092 -0.847 -7.549 536 HA ALA 73 HA ALA 73 -6.926 -3.357 -8.120 537 1HB ALA 73 1HB ALA 73 -9.286 -2.405 -6.608 538 2HB ALA 73 2HB ALA 73 -8.017 -3.530 -6.125 539 3HB ALA 73 3HB ALA 73 -9.356 -4.087 -7.125 540 H GLY 74 H GLY 74 -9.908 -1.908 -9.438 541 1HA GLY 74 2HA GLY 74 -10.859 -4.175 -10.867 542 2HA GLY 74 1HA GLY 74 -11.198 -2.501 -11.303 543 H ASN 75 H ASN 75 -8.674 -1.544 -11.932 544 HA ASN 75 HA ASN 75 -8.261 -2.617 -14.579 545 1HB ASN 75 2HB ASN 75 -7.815 -0.239 -13.934 546 2HB ASN 75 1HB ASN 75 -6.435 -0.790 -12.984 547 1HD2 ASN 75 1HD2 ASN 75 -7.722 -0.832 -16.349 548 2HD2 ASN 75 2HD2 ASN 75 -6.196 -0.895 -17.090 549 H ILE 76 H ILE 76 -6.519 -2.996 -11.496 550 HA ILE 76 HA ILE 76 -4.240 -4.389 -12.503 551 HB ILE 76 HB ILE 76 -5.629 -4.600 -9.813 552 1HG1 ILE 76 2HG1 ILE 76 -4.743 -2.344 -10.477 553 2HG1 ILE 76 1HG1 ILE 76 -3.940 -3.019 -9.063 554 1HG2 ILE 76 1HG2 ILE 76 -3.188 -5.894 -10.930 555 2HG2 ILE 76 2HG2 ILE 76 -4.301 -6.472 -9.690 556 3HG2 ILE 76 3HG2 ILE 76 -3.077 -5.269 -9.285 557 1HD1 ILE 76 1HD1 ILE 76 -2.067 -3.770 -10.457 558 2HD1 ILE 76 2HD1 ILE 76 -2.321 -2.039 -10.673 559 3HD1 ILE 76 3HD1 ILE 76 -2.880 -3.173 -11.902 560 H PHE 77 H PHE 77 -7.406 -5.596 -11.377 561 HA PHE 77 HA PHE 77 -6.763 -8.389 -11.818 562 1HB PHE 77 2HB PHE 77 -8.623 -7.360 -10.326 563 2HB PHE 77 1HB PHE 77 -9.558 -7.246 -11.815 564 HD1 PHE 77 HD1 PHE 77 -8.180 -9.489 -9.277 565 HD2 PHE 77 HD2 PHE 77 -10.148 -9.298 -13.091 566 HE1 PHE 77 HE1 PHE 77 -8.784 -11.886 -9.087 567 HE2 PHE 77 HE2 PHE 77 -10.748 -11.696 -12.901 568 HZ PHE 77 HZ PHE 77 -10.067 -12.990 -10.899 569 H LEU 78 H LEU 78 -8.278 -5.838 -13.761 570 HA LEU 78 HA LEU 78 -9.170 -7.552 -15.903 571 1HB LEU 78 2HB LEU 78 -9.011 -4.674 -15.355 572 2HB LEU 78 1HB LEU 78 -8.743 -5.066 -17.051 573 HG LEU 78 HG LEU 78 -11.153 -4.671 -16.485 574 1HD1 LEU 78 1HD1 LEU 78 -9.985 -6.943 -17.866 575 2HD1 LEU 78 2HD1 LEU 78 -11.381 -5.963 -18.317 576 3HD1 LEU 78 3HD1 LEU 78 -11.584 -7.344 -17.240 577 1HD2 LEU 78 1HD2 LEU 78 -10.752 -5.918 -14.184 578 2HD2 LEU 78 2HD2 LEU 78 -11.182 -7.347 -15.124 579 3HD2 LEU 78 3HD2 LEU 78 -12.323 -6.011 -14.981 580 H LYS 79 H LYS 79 -6.157 -5.742 -15.331 581 HA LYS 79 HA LYS 79 -5.080 -6.492 -17.960 582 1HB LYS 79 2HB LYS 79 -4.534 -4.478 -16.053 583 2HB LYS 79 1HB LYS 79 -3.083 -5.477 -16.137 584 1HG LYS 79 2HG LYS 79 -3.598 -5.295 -18.767 585 2HG LYS 79 1HG LYS 79 -4.345 -3.785 -18.244 586 1HD LYS 79 2HD LYS 79 -1.669 -4.369 -17.093 587 2HD LYS 79 1HD LYS 79 -1.702 -4.007 -18.819 588 1HE LYS 79 2HE LYS 79 -2.057 -1.817 -18.422 589 2HE LYS 79 1HE LYS 79 -3.418 -2.176 -17.360 590 1HZ LYS 79 1HZ LYS 79 -0.554 -2.286 -16.578 591 2HZ LYS 79 2HZ LYS 79 -1.880 -2.582 -15.557 592 3HZ LYS 79 3HZ LYS 79 -1.626 -1.028 -16.196 593 H HIS 80 H HIS 80 -4.166 -7.176 -14.551 594 HA HIS 80 HA HIS 80 -2.499 -9.439 -15.524 595 1HB HIS 80 2HB HIS 80 -2.706 -8.475 -12.666 596 2HB HIS 80 1HB HIS 80 -1.395 -9.382 -13.420 597 HD1 HIS 80 HD1 HIS 80 -0.319 -7.953 -15.615 598 HD2 HIS 80 HD2 HIS 80 -2.118 -5.786 -12.543 599 HE1 HIS 80 HE1 HIS 80 0.522 -5.574 -15.828 600 H GLY 81 H GLY 81 -4.808 -8.908 -12.814 601 1HA GLY 81 2HA GLY 81 -6.823 -10.460 -12.829 602 2HA GLY 81 1HA GLY 81 -5.676 -11.754 -13.175 603 H SER 82 H SER 82 -5.404 -12.976 -11.377 604 HA SER 82 HA SER 82 -5.258 -11.582 -8.732 605 1HB SER 82 2HB SER 82 -5.974 -13.760 -7.750 606 2HB SER 82 1HB SER 82 -7.173 -13.088 -8.848 607 HG SER 82 HG SER 82 -6.847 -15.271 -9.307 608 H GLU 83 H GLU 83 -3.893 -14.297 -10.627 609 HA GLU 83 HA GLU 83 -1.856 -15.020 -8.773 610 1HB GLU 83 2HB GLU 83 -2.493 -15.576 -11.571 611 2HB GLU 83 1HB GLU 83 -0.755 -15.503 -11.288 612 1HG GLU 83 2HG GLU 83 -1.385 -17.769 -10.867 613 2HG GLU 83 1HG GLU 83 -1.151 -17.034 -9.281 614 H LEU 84 H LEU 84 -0.490 -13.524 -7.940 615 HA LEU 84 HA LEU 84 1.156 -11.918 -9.834 616 1HB LEU 84 2HB LEU 84 -0.489 -10.896 -7.523 617 2HB LEU 84 1HB LEU 84 0.978 -10.049 -8.014 618 HG LEU 84 HG LEU 84 -0.794 -10.779 -10.256 619 1HD1 LEU 84 1HD1 LEU 84 -2.502 -9.138 -9.802 620 2HD1 LEU 84 2HD1 LEU 84 -1.682 -8.614 -8.330 621 3HD1 LEU 84 3HD1 LEU 84 -2.422 -10.213 -8.406 622 1HD2 LEU 84 1HD2 LEU 84 -0.202 -8.550 -10.994 623 2HD2 LEU 84 2HD2 LEU 84 1.252 -9.299 -10.338 624 3HD2 LEU 84 3HD2 LEU 84 0.363 -8.114 -9.381 625 H ARG 85 H ARG 85 3.116 -10.997 -8.654 626 HA ARG 85 HA ARG 85 3.996 -12.807 -6.437 627 1HB ARG 85 2HB ARG 85 5.390 -12.007 -8.980 628 2HB ARG 85 1HB ARG 85 6.337 -12.412 -7.549 629 1HG ARG 85 2HG ARG 85 4.353 -14.415 -7.768 630 2HG ARG 85 1HG ARG 85 5.000 -14.185 -9.393 631 1HD ARG 85 2HD ARG 85 7.305 -14.411 -8.480 632 2HD ARG 85 1HD ARG 85 6.620 -14.725 -6.884 633 HE ARG 85 HE ARG 85 6.227 -16.523 -9.245 634 1HH1 ARG 85 2HH1 ARG 85 8.189 -17.152 -6.997 635 2HH1 ARG 85 1HH1 ARG 85 7.255 -18.243 -6.030 636 1HH2 ARG 85 1HH2 ARG 85 4.233 -17.382 -7.512 637 2HH2 ARG 85 2HH2 ARG 85 5.009 -18.376 -6.326 638 H LEU 86 H LEU 86 5.488 -11.848 -4.925 639 HA LEU 86 HA LEU 86 5.373 -8.865 -4.892 640 1HB LEU 86 2HB LEU 86 4.513 -10.364 -2.927 641 2HB LEU 86 1HB LEU 86 6.224 -10.556 -2.549 642 HG LEU 86 HG LEU 86 5.617 -7.777 -3.109 643 1HD1 LEU 86 1HD1 LEU 86 3.483 -7.821 -2.258 644 2HD1 LEU 86 2HD1 LEU 86 4.367 -7.700 -0.737 645 3HD1 LEU 86 3HD1 LEU 86 3.781 -9.267 -1.294 646 1HD2 LEU 86 1HD2 LEU 86 7.598 -8.641 -1.893 647 2HD2 LEU 86 2HD2 LEU 86 6.545 -9.208 -0.597 648 3HD2 LEU 86 3HD2 LEU 86 6.696 -7.480 -0.919 649 H ILE 87 H ILE 87 7.228 -7.738 -5.185 650 HA ILE 87 HA ILE 87 9.835 -9.150 -4.811 651 HB ILE 87 HB ILE 87 9.340 -9.065 -7.216 652 1HG1 ILE 87 2HG1 ILE 87 11.381 -6.910 -6.640 653 2HG1 ILE 87 1HG1 ILE 87 11.685 -8.607 -6.270 654 1HG2 ILE 87 1HG2 ILE 87 9.467 -6.479 -8.050 655 2HG2 ILE 87 2HG2 ILE 87 8.581 -6.281 -6.541 656 3HG2 ILE 87 3HG2 ILE 87 7.955 -7.348 -7.793 657 1HD1 ILE 87 1HD1 ILE 87 10.744 -8.784 -8.838 658 2HD1 ILE 87 2HD1 ILE 87 12.452 -8.710 -8.405 659 3HD1 ILE 87 3HD1 ILE 87 11.602 -7.243 -8.884 660 HA PRO 88 HA PRO 88 10.604 -5.527 -2.376 661 1HB PRO 88 2HB PRO 88 13.241 -6.086 -1.816 662 2HB PRO 88 1HB PRO 88 11.875 -6.872 -1.003 663 1HG PRO 88 2HG PRO 88 13.695 -7.965 -3.099 664 2HG PRO 88 1HG PRO 88 12.794 -8.821 -1.837 665 1HD PRO 88 2HD PRO 88 12.062 -8.656 -4.561 666 2HD PRO 88 1HD PRO 88 11.011 -9.190 -3.233 667 H ARG 89 H ARG 89 10.387 -4.441 -4.655 668 HA ARG 89 HA ARG 89 12.979 -3.610 -5.822 669 1HB ARG 89 2HB ARG 89 10.881 -4.237 -7.194 670 2HB ARG 89 1HB ARG 89 10.237 -2.676 -6.689 671 1HG ARG 89 2HG ARG 89 12.677 -1.882 -7.518 672 2HG ARG 89 1HG ARG 89 12.468 -3.290 -8.559 673 1HD ARG 89 2HD ARG 89 11.567 -1.396 -9.742 674 2HD ARG 89 1HD ARG 89 10.200 -2.366 -9.197 675 HE ARG 89 HE ARG 89 10.281 -0.636 -7.176 676 1HH1 ARG 89 1HH2 ARG 89 8.440 0.064 -9.382 677 2HH1 ARG 89 2HH2 ARG 89 8.987 1.635 -9.862 678 1HH2 ARG 89 2HH1 ARG 89 12.065 1.338 -8.272 679 2HH2 ARG 89 1HH1 ARG 89 11.047 2.359 -9.232 680 H ASP 90 H ASP 90 13.971 -1.911 -4.869 681 HA ASP 90 HA ASP 90 12.597 -0.095 -3.075 682 1HB ASP 90 2HB ASP 90 15.257 -0.835 -3.561 683 2HB ASP 90 1HB ASP 90 15.180 0.871 -3.998 684 H ARG 91 H ARG 91 11.757 1.910 -3.490 685 HA ARG 91 HA ARG 91 11.499 2.797 -6.262 686 1HB ARG 91 2HB ARG 91 10.420 3.616 -3.619 687 2HB ARG 91 1HB ARG 91 10.595 4.912 -4.804 688 1HG ARG 91 2HG ARG 91 8.440 4.077 -5.241 689 2HG ARG 91 1HG ARG 91 9.438 3.271 -6.451 690 1HD ARG 91 2HD ARG 91 9.405 1.224 -5.301 691 2HD ARG 91 1HD ARG 91 8.966 1.982 -3.770 692 HE ARG 91 HE ARG 91 6.693 1.969 -4.464 693 1HH1 ARG 91 1HH2 ARG 91 7.176 -0.614 -5.764 694 2HH1 ARG 91 2HH2 ARG 91 6.677 -0.339 -7.399 695 1HH2 ARG 91 2HH1 ARG 91 6.780 3.121 -7.128 696 2HH2 ARG 91 1HH1 ARG 91 6.454 1.780 -8.175 697 H VAL 92 H VAL 92 13.341 3.616 -7.186 698 HA VAL 92 HA VAL 92 15.166 5.300 -5.556 699 HB VAL 92 HB VAL 92 15.458 4.190 -8.372 700 1HG1 VAL 92 1HG1 VAL 92 17.705 5.245 -6.670 701 2HG1 VAL 92 2HG1 VAL 92 16.735 6.358 -7.635 702 3HG1 VAL 92 3HG1 VAL 92 17.629 5.058 -8.422 703 1HG2 VAL 92 1HG2 VAL 92 15.612 2.315 -6.985 704 2HG2 VAL 92 2HG2 VAL 92 16.294 3.236 -5.645 705 3HG2 VAL 92 3HG2 VAL 92 17.292 2.846 -7.047 706 H GLY 93 H GLY 93 15.124 5.947 -8.963 707 1HA GLY 93 2HA GLY 93 14.135 8.676 -8.437 708 2HA GLY 93 1HA GLY 93 14.937 8.133 -9.913 709 H HIS 94 HN HIS 94 13.182 5.704 -10.088 710 HA HIS 94 HA HIS 94 10.948 7.039 -11.458 711 1HB HIS 94 2HB HIS 94 12.387 4.849 -12.144 712 2HB HIS 94 1HB HIS 94 11.036 4.073 -11.325 713 HD1 HIS 94 HD1 HIS 94 10.640 3.291 -13.991 714 HD2 HIS 94 HD2 HIS 94 9.751 7.238 -12.976 715 HE1 HIS 94 HE1 HIS 94 9.125 4.184 -15.822 Start of MODEL 13 1 1H MET 1 1H MET 1 -3.560 11.998 -3.259 2 2H MET 1 2H MET 1 -3.116 11.309 -1.770 3 3H MET 1 3H MET 1 -3.019 12.989 -1.996 4 HA MET 1 HA MET 1 -4.954 12.369 -0.665 5 1HB MET 1 2HB MET 1 -4.939 14.392 -2.129 6 2HB MET 1 1HB MET 1 -5.649 13.426 -3.425 7 1HG MET 1 2HG MET 1 -7.428 12.824 -1.563 8 2HG MET 1 1HG MET 1 -6.873 14.338 -0.845 9 1HE MET 1 1HE MET 1 -9.586 13.488 -1.671 10 2HE MET 1 2HE MET 1 -10.352 14.587 -2.812 11 3HE MET 1 3HE MET 1 -9.653 15.224 -1.326 12 H SER 2 H SER 2 -5.411 10.170 -0.391 13 HA SER 2 HA SER 2 -6.354 8.439 -2.519 14 1HB SER 2 2HB SER 2 -6.389 8.242 0.503 15 2HB SER 2 1HB SER 2 -7.073 6.987 -0.527 16 HG SER 2 HG SER 2 -5.085 6.302 -0.610 17 H GLY 3 H GLY 3 -8.270 8.870 -3.514 18 1HA GLY 3 2HA GLY 3 -10.403 10.391 -2.316 19 2HA GLY 3 1HA GLY 3 -10.515 9.484 -3.825 20 H GLY 4 H GLY 4 -12.673 8.823 -3.133 21 1HA GLY 4 2HA GLY 4 -13.104 7.281 -0.719 22 2HA GLY 4 1HA GLY 4 -14.213 7.384 -2.087 23 H THR 5 H THR 5 -11.436 5.647 -0.773 24 HA THR 5 HA THR 5 -10.889 3.867 -2.901 25 HB THR 5 HB THR 5 -9.521 3.976 -0.844 26 HG1 THR 5 HG1 THR 5 -9.018 1.895 -0.933 27 1HG2 THR 5 1HG2 THR 5 -11.258 2.189 0.719 28 2HG2 THR 5 2HG2 THR 5 -11.919 3.808 0.501 29 3HG2 THR 5 3HG2 THR 5 -10.331 3.597 1.238 30 H ALA 6 H ALA 6 -13.562 3.908 -0.635 31 HA ALA 6 HA ALA 6 -14.724 1.524 -2.016 32 1HB ALA 6 1HB ALA 6 -15.976 1.134 0.130 33 2HB ALA 6 2HB ALA 6 -15.029 2.425 0.871 34 3HB ALA 6 3HB ALA 6 -14.229 0.959 0.306 35 H ALA 7 H ALA 7 -15.388 3.351 -3.509 36 HA ALA 7 HA ALA 7 -17.364 5.269 -2.538 37 1HB ALA 7 1HB ALA 7 -16.742 4.538 -5.413 38 2HB ALA 7 2HB ALA 7 -15.794 5.695 -4.479 39 3HB ALA 7 3HB ALA 7 -17.491 6.023 -4.828 40 H THR 8 H THR 8 -18.849 3.692 -1.593 41 HA THR 8 HA THR 8 -20.649 2.180 -1.614 42 HB THR 8 HB THR 8 -22.394 2.908 -3.400 43 HG1 THR 8 HG1 THR 8 -21.720 4.304 -4.784 44 1HG2 THR 8 1HG2 THR 8 -21.304 4.894 -1.388 45 2HG2 THR 8 2HG2 THR 8 -22.451 3.599 -1.044 46 3HG2 THR 8 3HG2 THR 8 -22.919 4.936 -2.095 47 H THR 9 H THR 9 -18.651 0.773 -2.596 48 HA THR 9 HA THR 9 -19.680 -0.513 -5.100 49 HB THR 9 HB THR 9 -16.813 -0.571 -4.099 50 HG1 THR 9 HG1 THR 9 -16.710 1.369 -4.852 51 1HG2 THR 9 1HG2 THR 9 -16.708 -0.996 -6.766 52 2HG2 THR 9 2HG2 THR 9 -18.293 -1.684 -6.422 53 3HG2 THR 9 3HG2 THR 9 -16.864 -2.303 -5.594 54 H ALA 10 H ALA 10 -20.941 -2.116 -4.153 55 HA ALA 10 HA ALA 10 -19.479 -4.099 -2.457 56 1HB ALA 10 1HB ALA 10 -22.407 -3.463 -2.088 57 2HB ALA 10 2HB ALA 10 -21.155 -2.577 -1.216 58 3HB ALA 10 3HB ALA 10 -21.326 -4.318 -0.988 59 H GLY 11 H GLY 11 -19.847 -6.240 -3.002 60 1HA GLY 11 2HA GLY 11 -21.373 -7.970 -3.937 61 2HA GLY 11 1HA GLY 11 -21.873 -6.781 -5.140 62 H SER 12 H SER 12 -20.069 -5.965 -6.593 63 HA SER 12 HA SER 12 -18.536 -8.269 -7.595 64 1HB SER 12 2HB SER 12 -19.760 -6.211 -8.872 65 2HB SER 12 1HB SER 12 -18.122 -5.573 -8.779 66 HG SER 12 HG SER 12 -18.429 -6.839 -10.653 67 H LYS 13 H LYS 13 -16.575 -8.705 -6.714 68 HA LYS 13 HA LYS 13 -14.771 -6.415 -6.063 69 1HB LYS 13 2HB LYS 13 -15.116 -8.911 -4.369 70 2HB LYS 13 1HB LYS 13 -14.007 -7.579 -4.045 71 1HG LYS 13 2HG LYS 13 -15.975 -6.033 -3.922 72 2HG LYS 13 1HG LYS 13 -17.036 -7.431 -4.093 73 1HD LYS 13 2HD LYS 13 -16.787 -7.996 -1.924 74 2HD LYS 13 1HD LYS 13 -15.032 -7.854 -2.020 75 1HE LYS 13 2HE LYS 13 -15.277 -5.365 -1.851 76 2HE LYS 13 1HE LYS 13 -17.007 -5.592 -1.597 77 1HZ LYS 13 1HZ LYS 13 -15.318 -7.196 0.119 78 2HZ LYS 13 2HZ LYS 13 -16.691 -6.270 0.497 79 3HZ LYS 13 3HZ LYS 13 -15.171 -5.524 0.361 80 H VAL 14 H VAL 14 -12.509 -6.915 -6.264 81 HA VAL 14 HA VAL 14 -11.976 -9.300 -7.987 82 HB VAL 14 HB VAL 14 -9.893 -7.999 -8.661 83 1HG1 VAL 14 1HG1 VAL 14 -11.192 -6.433 -10.142 84 2HG1 VAL 14 2HG1 VAL 14 -12.642 -6.866 -9.238 85 3HG1 VAL 14 3HG1 VAL 14 -11.781 -8.095 -10.164 86 1HG2 VAL 14 1HG2 VAL 14 -11.379 -5.795 -7.195 87 2HG2 VAL 14 2HG2 VAL 14 -10.024 -5.527 -8.289 88 3HG2 VAL 14 3HG2 VAL 14 -9.785 -6.433 -6.795 89 H THR 15 H THR 15 -10.575 -10.832 -7.255 90 HA THR 15 HA THR 15 -9.327 -10.399 -4.587 91 HB THR 15 HB THR 15 -8.978 -12.910 -4.692 92 HG1 THR 15 HG1 THR 15 -9.406 -13.867 -6.493 93 1HG2 THR 15 1HG2 THR 15 -10.849 -12.740 -3.448 94 2HG2 THR 15 2HG2 THR 15 -11.756 -13.072 -4.923 95 3HG2 THR 15 3HG2 THR 15 -11.458 -11.407 -4.428 96 H PHE 16 H PHE 16 -7.101 -10.540 -4.280 97 HA PHE 16 HA PHE 16 -5.431 -10.956 -6.733 98 1HB PHE 16 2HB PHE 16 -4.937 -9.001 -4.467 99 2HB PHE 16 1HB PHE 16 -3.863 -9.270 -5.838 100 HD1 PHE 16 HD1 PHE 16 -6.484 -7.265 -4.606 101 HD2 PHE 16 HD2 PHE 16 -5.047 -9.086 -8.222 102 HE1 PHE 16 HE1 PHE 16 -7.773 -5.626 -5.944 103 HE2 PHE 16 HE2 PHE 16 -6.339 -7.446 -9.560 104 HZ PHE 16 HZ PHE 16 -7.700 -5.718 -8.420 105 H LYS 17 H LYS 17 -3.618 -12.229 -6.480 106 HA LYS 17 HA LYS 17 -3.057 -13.280 -3.736 107 1HB LYS 17 2HB LYS 17 -4.121 -14.773 -5.786 108 2HB LYS 17 1HB LYS 17 -2.393 -15.067 -5.987 109 1HG LYS 17 2HG LYS 17 -2.474 -15.391 -3.357 110 2HG LYS 17 1HG LYS 17 -4.174 -15.737 -3.672 111 1HD LYS 17 2HD LYS 17 -2.404 -17.085 -5.569 112 2HD LYS 17 1HD LYS 17 -2.072 -17.548 -3.900 113 1HE LYS 17 2HE LYS 17 -4.356 -18.218 -3.548 114 2HE LYS 17 1HE LYS 17 -4.857 -17.523 -5.089 115 1HZ LYS 17 1HZ LYS 17 -4.637 -19.817 -5.451 116 2HZ LYS 17 2HZ LYS 17 -3.151 -19.899 -4.630 117 3HZ LYS 17 3HZ LYS 17 -3.250 -19.127 -6.140 118 H ILE 18 H ILE 18 -1.089 -12.502 -3.161 119 HA ILE 18 HA ILE 18 0.991 -12.187 -5.286 120 HB ILE 18 HB ILE 18 0.800 -10.838 -2.572 121 1HG1 ILE 18 2HG1 ILE 18 0.644 -8.896 -4.540 122 2HG1 ILE 18 1HG1 ILE 18 -0.310 -10.210 -5.226 123 1HG2 ILE 18 1HG2 ILE 18 2.609 -9.394 -3.518 124 2HG2 ILE 18 2HG2 ILE 18 2.688 -10.468 -4.914 125 3HG2 ILE 18 3HG2 ILE 18 3.108 -11.072 -3.312 126 1HD1 ILE 18 1HD1 ILE 18 -1.810 -8.855 -3.916 127 2HD1 ILE 18 2HD1 ILE 18 -0.706 -8.865 -2.542 128 3HD1 ILE 18 3HD1 ILE 18 -1.537 -10.347 -3.014 129 H THR 19 H THR 19 2.549 -13.724 -5.242 130 HA THR 19 HA THR 19 3.084 -15.166 -2.677 131 HB THR 19 HB THR 19 3.911 -16.051 -5.454 132 HG1 THR 19 HG1 THR 19 1.886 -16.438 -5.768 133 1HG2 THR 19 1HG2 THR 19 3.376 -17.693 -2.970 134 2HG2 THR 19 2HG2 THR 19 4.971 -17.046 -3.358 135 3HG2 THR 19 3HG2 THR 19 4.198 -18.198 -4.447 136 H LEU 20 H LEU 20 5.249 -15.393 -1.957 137 HA LEU 20 HA LEU 20 7.030 -13.215 -2.563 138 1HB LEU 20 2HB LEU 20 6.936 -14.458 -0.372 139 2HB LEU 20 1HB LEU 20 7.726 -15.817 -1.171 140 HG LEU 20 HG LEU 20 9.564 -14.168 -1.849 141 1HD1 LEU 20 1HD1 LEU 20 8.231 -12.119 -1.403 142 2HD1 LEU 20 2HD1 LEU 20 9.741 -12.130 -0.490 143 3HD1 LEU 20 3HD1 LEU 20 8.221 -12.519 0.314 144 1HD2 LEU 20 1HD2 LEU 20 9.431 -15.827 0.219 145 2HD2 LEU 20 2HD2 LEU 20 9.407 -14.325 1.141 146 3HD2 LEU 20 3HD2 LEU 20 10.764 -14.682 0.073 147 H THR 21 H THR 21 8.782 -13.100 -3.921 148 HA THR 21 HA THR 21 9.180 -15.374 -5.802 149 HB THR 21 HB THR 21 10.458 -13.646 -7.145 150 HG1 THR 21 HG1 THR 21 10.905 -11.868 -6.159 151 1HG2 THR 21 1HG2 THR 21 7.843 -12.359 -6.749 152 2HG2 THR 21 2HG2 THR 21 7.760 -14.107 -6.970 153 3HG2 THR 21 3HG2 THR 21 8.528 -13.099 -8.196 154 H SER 22 H SER 22 10.248 -16.009 -3.401 155 HA SER 22 HA SER 22 13.155 -15.954 -3.947 156 1HB SER 22 2HB SER 22 11.853 -14.461 -1.774 157 2HB SER 22 1HB SER 22 13.132 -15.534 -1.216 158 HG SER 22 HG SER 22 13.968 -13.508 -1.815 159 H ASP 23 H ASP 23 10.755 -16.953 -1.470 160 HA ASP 23 HA ASP 23 11.752 -19.741 -1.745 161 1HB ASP 23 2HB ASP 23 11.735 -19.965 0.761 162 2HB ASP 23 1HB ASP 23 12.993 -18.889 0.156 163 HA PRO 24 HA PRO 24 7.463 -20.682 -1.489 164 1HB PRO 24 2HB PRO 24 7.664 -23.318 -0.727 165 2HB PRO 24 1HB PRO 24 7.991 -22.741 -2.370 166 1HG PRO 24 2HG PRO 24 9.921 -23.594 -0.261 167 2HG PRO 24 1HG PRO 24 10.094 -23.635 -2.023 168 1HD PRO 24 2HD PRO 24 11.239 -21.710 -0.302 169 2HD PRO 24 1HD PRO 24 11.094 -21.574 -2.068 170 H LYS 25 H LYS 25 9.541 -20.933 1.290 171 HA LYS 25 HA LYS 25 7.789 -21.898 3.291 172 1HB LYS 25 2HB LYS 25 10.184 -20.119 3.243 173 2HB LYS 25 1HB LYS 25 9.199 -20.104 4.707 174 1HG LYS 25 2HG LYS 25 9.619 -22.348 5.177 175 2HG LYS 25 1HG LYS 25 9.970 -22.739 3.494 176 1HD LYS 25 2HD LYS 25 11.972 -21.028 3.880 177 2HD LYS 25 1HD LYS 25 11.741 -21.501 5.564 178 1HE LYS 25 2HE LYS 25 13.125 -23.220 5.014 179 2HE LYS 25 1HE LYS 25 11.658 -23.936 4.340 180 1HZ LYS 25 1HZ LYS 25 13.042 -24.042 2.544 181 2HZ LYS 25 2HZ LYS 25 13.896 -22.631 2.955 182 3HZ LYS 25 3HZ LYS 25 12.345 -22.521 2.269 183 H LEU 26 H LEU 26 8.359 -18.490 2.320 184 HA LEU 26 HA LEU 26 6.358 -17.348 4.007 185 1HB LEU 26 2HB LEU 26 8.279 -16.318 2.403 186 2HB LEU 26 1HB LEU 26 6.872 -16.061 1.372 187 HG LEU 26 HG LEU 26 6.253 -15.332 4.107 188 1HD1 LEU 26 1HD1 LEU 26 7.776 -13.420 4.317 189 2HD1 LEU 26 2HD1 LEU 26 8.581 -13.874 2.815 190 3HD1 LEU 26 3HD1 LEU 26 8.702 -14.917 4.233 191 1HD2 LEU 26 1HD2 LEU 26 5.161 -13.628 3.034 192 2HD2 LEU 26 2HD2 LEU 26 5.457 -14.622 1.606 193 3HD2 LEU 26 3HD2 LEU 26 6.533 -13.276 1.983 194 HA PRO 27 HA PRO 27 2.804 -18.832 1.753 195 1HB PRO 27 2HB PRO 27 0.946 -17.680 3.423 196 2HB PRO 27 1HB PRO 27 1.802 -19.187 3.796 197 1HG PRO 27 2HG PRO 27 2.218 -16.460 4.929 198 2HG PRO 27 1HG PRO 27 2.557 -18.041 5.653 199 1HD PRO 27 2HD PRO 27 4.469 -16.305 4.496 200 2HD PRO 27 1HD PRO 27 4.728 -18.010 4.921 201 H PHE 28 H PHE 28 1.501 -17.925 0.158 202 HA PHE 28 HA PHE 28 1.989 -15.223 -0.690 203 1HB PHE 28 2HB PHE 28 0.165 -15.647 -2.345 204 2HB PHE 28 1HB PHE 28 1.380 -16.920 -2.324 205 HD1 PHE 28 HD1 PHE 28 0.818 -19.165 -1.726 206 HD2 PHE 28 HD2 PHE 28 -2.033 -16.003 -1.147 207 HE1 PHE 28 HE1 PHE 28 -0.947 -20.841 -1.255 208 HE2 PHE 28 HE2 PHE 28 -3.795 -17.681 -0.674 209 HZ PHE 28 HZ PHE 28 -3.252 -20.099 -0.727 210 H LYS 29 H LYS 29 0.404 -13.476 -0.849 211 HA LYS 29 HA LYS 29 -1.442 -13.449 1.499 212 1HB LYS 29 2HB LYS 29 0.528 -11.669 0.822 213 2HB LYS 29 1HB LYS 29 -0.890 -10.905 0.104 214 1HG LYS 29 2HG LYS 29 -1.296 -11.977 2.833 215 2HG LYS 29 1HG LYS 29 -0.173 -10.621 2.721 216 1HD LYS 29 2HD LYS 29 -1.910 -9.371 1.405 217 2HD LYS 29 1HD LYS 29 -3.035 -10.692 1.727 218 1HE LYS 29 2HE LYS 29 -2.308 -10.283 4.238 219 2HE LYS 29 1HE LYS 29 -1.875 -8.686 3.631 220 1HZ LYS 29 1HZ LYS 29 -4.177 -8.841 4.469 221 2HZ LYS 29 2HZ LYS 29 -4.528 -9.957 3.238 222 3HZ LYS 29 3HZ LYS 29 -4.090 -8.363 2.844 223 H VAL 30 H VAL 30 -3.601 -13.352 1.149 224 HA VAL 30 HA VAL 30 -4.561 -12.957 -1.648 225 HB VAL 30 HB VAL 30 -6.052 -14.059 0.759 226 1HG1 VAL 30 1HG1 VAL 30 -7.866 -13.877 -0.560 227 2HG1 VAL 30 2HG1 VAL 30 -7.097 -14.954 -1.727 228 3HG1 VAL 30 3HG1 VAL 30 -6.884 -13.209 -1.863 229 1HG2 VAL 30 1HG2 VAL 30 -4.158 -15.508 0.101 230 2HG2 VAL 30 2HG2 VAL 30 -4.732 -15.498 -1.567 231 3HG2 VAL 30 3HG2 VAL 30 -5.699 -16.262 -0.306 232 H LEU 31 H LEU 31 -5.546 -11.052 -2.145 233 HA LEU 31 HA LEU 31 -6.578 -9.375 0.112 234 1HB LEU 31 2HB LEU 31 -4.802 -8.745 -2.167 235 2HB LEU 31 1HB LEU 31 -6.088 -7.572 -1.883 236 HG LEU 31 HG LEU 31 -4.825 -8.440 0.604 237 1HD1 LEU 31 1HD1 LEU 31 -2.985 -8.428 -1.342 238 2HD1 LEU 31 2HD1 LEU 31 -2.632 -7.810 0.272 239 3HD1 LEU 31 3HD1 LEU 31 -3.040 -6.694 -1.031 240 1HD2 LEU 31 1HD2 LEU 31 -5.217 -5.762 -0.771 241 2HD2 LEU 31 2HD2 LEU 31 -4.674 -5.964 0.893 242 3HD2 LEU 31 3HD2 LEU 31 -6.290 -6.488 0.425 243 H SER 32 H SER 32 -8.756 -9.237 0.033 244 HA SER 32 HA SER 32 -10.104 -9.419 -2.630 245 1HB SER 32 2HB SER 32 -10.584 -10.840 -0.281 246 2HB SER 32 1HB SER 32 -11.848 -9.613 -0.292 247 HG SER 32 HG SER 32 -12.439 -11.502 -1.459 248 H VAL 33 H VAL 33 -10.448 -7.371 -3.364 249 HA VAL 33 HA VAL 33 -11.803 -5.446 -1.526 250 HB VAL 33 HB VAL 33 -10.455 -3.608 -2.669 251 1HG1 VAL 33 1HG1 VAL 33 -9.300 -5.652 -0.795 252 2HG1 VAL 33 2HG1 VAL 33 -9.802 -3.994 -0.464 253 3HG1 VAL 33 3HG1 VAL 33 -8.302 -4.304 -1.336 254 1HG2 VAL 33 1HG2 VAL 33 -9.681 -5.036 -4.572 255 2HG2 VAL 33 2HG2 VAL 33 -8.688 -5.953 -3.441 256 3HG2 VAL 33 3HG2 VAL 33 -8.349 -4.247 -3.728 257 HA PRO 34 HA PRO 34 -14.519 -4.837 -4.928 258 1HB PRO 34 2HB PRO 34 -15.346 -2.264 -4.413 259 2HB PRO 34 1HB PRO 34 -15.893 -3.675 -3.491 260 1HG PRO 34 2HG PRO 34 -13.936 -1.561 -2.709 261 2HG PRO 34 1HG PRO 34 -14.985 -2.555 -1.684 262 1HD PRO 34 2HD PRO 34 -12.227 -2.974 -2.099 263 2HD PRO 34 1HD PRO 34 -13.361 -4.151 -1.402 264 H GLU 35 H GLU 35 -14.803 -3.579 -6.931 265 HA GLU 35 HA GLU 35 -12.334 -2.727 -8.135 266 1HB GLU 35 2HB GLU 35 -15.230 -2.646 -8.965 267 2HB GLU 35 1HB GLU 35 -14.014 -1.814 -9.932 268 1HG GLU 35 2HG GLU 35 -13.818 -3.849 -10.953 269 2HG GLU 35 1HG GLU 35 -12.775 -4.204 -9.576 270 H SER 36 H SER 36 -11.616 -1.113 -6.637 271 HA SER 36 HA SER 36 -12.081 1.587 -7.390 272 1HB SER 36 2HB SER 36 -13.168 2.308 -5.156 273 2HB SER 36 1HB SER 36 -14.220 1.577 -6.362 274 HG SER 36 HG SER 36 -14.398 0.730 -4.164 275 H THR 37 H THR 37 -11.147 -0.639 -4.772 276 HA THR 37 HA THR 37 -9.402 1.153 -3.369 277 HB THR 37 HB THR 37 -9.318 -1.870 -3.644 278 HG1 THR 37 HG1 THR 37 -11.149 -1.274 -2.609 279 1HG2 THR 37 1HG2 THR 37 -7.804 0.033 -1.849 280 2HG2 THR 37 2HG2 THR 37 -7.147 -1.212 -2.911 281 3HG2 THR 37 3HG2 THR 37 -8.022 -1.670 -1.451 282 HA PRO 38 HA PRO 38 -6.229 1.413 -6.461 283 1HB PRO 38 2HB PRO 38 -4.461 2.878 -4.947 284 2HB PRO 38 1HB PRO 38 -5.877 3.571 -5.757 285 1HG PRO 38 2HG PRO 38 -5.475 2.972 -2.860 286 2HG PRO 38 1HG PRO 38 -6.500 4.201 -3.620 287 1HD PRO 38 2HD PRO 38 -7.399 1.748 -2.560 288 2HD PRO 38 1HD PRO 38 -8.320 2.802 -3.653 289 H PHE 39 H PHE 39 -4.079 0.597 -6.824 290 HA PHE 39 HA PHE 39 -3.430 -1.810 -5.411 291 1HB PHE 39 2HB PHE 39 -2.803 -0.946 -7.850 292 2HB PHE 39 1HB PHE 39 -1.342 -0.409 -7.027 293 HD1 PHE 39 HD1 PHE 39 -3.592 -3.421 -7.013 294 HD2 PHE 39 HD2 PHE 39 0.433 -1.921 -7.022 295 HE1 PHE 39 HE1 PHE 39 -2.725 -5.744 -7.054 296 HE2 PHE 39 HE2 PHE 39 1.297 -4.241 -7.064 297 HZ PHE 39 HZ PHE 39 -0.281 -6.153 -7.079 298 H THR 40 H THR 40 -2.687 1.500 -4.721 299 HA THR 40 HA THR 40 -0.188 1.213 -3.360 300 HB THR 40 HB THR 40 -1.364 3.153 -1.890 301 HG1 THR 40 HG1 THR 40 -3.222 3.666 -2.667 302 1HG2 THR 40 1HG2 THR 40 -0.056 4.545 -3.114 303 2HG2 THR 40 2HG2 THR 40 -0.786 4.050 -4.642 304 3HG2 THR 40 3HG2 THR 40 0.470 3.060 -3.900 305 H ALA 41 H ALA 41 -3.553 0.977 -2.187 306 HA ALA 41 HA ALA 41 -2.791 0.207 0.507 307 1HB ALA 41 1HB ALA 41 -4.960 1.260 0.091 308 2HB ALA 41 2HB ALA 41 -5.211 -0.359 0.743 309 3HB ALA 41 3HB ALA 41 -5.423 -0.061 -0.982 310 H VAL 42 H VAL 42 -3.817 -1.559 -2.426 311 HA VAL 42 HA VAL 42 -3.991 -4.163 -1.274 312 HB VAL 42 HB VAL 42 -3.116 -3.374 -4.077 313 1HG1 VAL 42 1HG1 VAL 42 -3.452 -5.600 -4.736 314 2HG1 VAL 42 2HG1 VAL 42 -4.412 -5.981 -3.307 315 3HG1 VAL 42 3HG1 VAL 42 -2.664 -5.788 -3.170 316 1HG2 VAL 42 1HG2 VAL 42 -5.320 -2.498 -3.608 317 2HG2 VAL 42 2HG2 VAL 42 -5.819 -4.013 -2.858 318 3HG2 VAL 42 3HG2 VAL 42 -5.527 -3.942 -4.597 319 H LEU 43 H LEU 43 -1.216 -2.551 -2.859 320 HA LEU 43 HA LEU 43 0.680 -4.646 -2.395 321 1HB LEU 43 2HB LEU 43 0.890 -2.620 -3.962 322 2HB LEU 43 1HB LEU 43 1.356 -1.700 -2.531 323 HG LEU 43 HG LEU 43 2.786 -4.252 -2.766 324 1HD1 LEU 43 1HD1 LEU 43 2.598 -3.791 -5.160 325 2HD1 LEU 43 2HD1 LEU 43 4.247 -3.465 -4.627 326 3HD1 LEU 43 3HD1 LEU 43 3.129 -2.130 -4.907 327 1HD2 LEU 43 1HD2 LEU 43 4.439 -1.902 -2.845 328 2HD2 LEU 43 2HD2 LEU 43 4.194 -3.022 -1.506 329 3HD2 LEU 43 3HD2 LEU 43 3.129 -1.631 -1.698 330 H LYS 44 H LYS 44 -0.402 -1.925 -0.401 331 HA LYS 44 HA LYS 44 1.648 -2.054 1.594 332 1HB LYS 44 2HB LYS 44 -0.760 -0.598 1.169 333 2HB LYS 44 1HB LYS 44 -0.875 -1.327 2.770 334 1HG LYS 44 2HG LYS 44 1.775 -0.374 2.549 335 2HG LYS 44 1HG LYS 44 0.744 0.907 1.912 336 1HD LYS 44 2HD LYS 44 -0.365 1.208 3.924 337 2HD LYS 44 1HD LYS 44 -0.078 -0.452 4.448 338 1HE LYS 44 2HE LYS 44 2.458 0.317 4.404 339 2HE LYS 44 1HE LYS 44 1.745 1.921 4.587 340 1HZ LYS 44 1HZ LYS 44 2.187 0.970 6.735 341 2HZ LYS 44 2HZ LYS 44 1.292 -0.421 6.353 342 3HZ LYS 44 3HZ LYS 44 0.510 1.079 6.512 343 H PHE 45 H PHE 45 -1.611 -3.552 1.499 344 HA PHE 45 HA PHE 45 -1.362 -4.977 3.967 345 1HB PHE 45 2HB PHE 45 -3.078 -5.301 1.517 346 2HB PHE 45 1HB PHE 45 -3.116 -6.525 2.786 347 HD1 PHE 45 HD1 PHE 45 -4.410 -3.382 1.720 348 HD2 PHE 45 HD2 PHE 45 -3.421 -5.647 5.236 349 HE1 PHE 45 HE1 PHE 45 -5.901 -1.934 3.072 350 HE2 PHE 45 HE2 PHE 45 -4.913 -4.198 6.586 351 HZ PHE 45 HZ PHE 45 -6.152 -2.343 5.505 352 H ALA 46 H ALA 46 -0.640 -5.950 0.602 353 HA ALA 46 HA ALA 46 0.123 -8.645 1.175 354 1HB ALA 46 1HB ALA 46 1.113 -6.788 -1.014 355 2HB ALA 46 2HB ALA 46 -0.287 -7.855 -1.117 356 3HB ALA 46 3HB ALA 46 1.333 -8.538 -0.988 357 H ALA 47 H ALA 47 1.997 -5.615 1.122 358 HA ALA 47 HA ALA 47 4.554 -6.839 1.656 359 1HB ALA 47 1HB ALA 47 3.843 -4.032 2.487 360 2HB ALA 47 2HB ALA 47 4.009 -4.444 0.780 361 3HB ALA 47 3HB ALA 47 5.377 -4.646 1.874 362 H GLU 48 H GLU 48 1.911 -5.705 3.708 363 HA GLU 48 HA GLU 48 3.273 -5.624 6.210 364 1HB GLU 48 2HB GLU 48 0.519 -5.610 5.272 365 2HB GLU 48 1HB GLU 48 0.680 -6.561 6.748 366 1HG GLU 48 2HG GLU 48 0.547 -4.555 7.807 367 2HG GLU 48 1HG GLU 48 2.235 -4.376 7.334 368 H GLU 49 H GLU 49 1.414 -8.304 4.718 369 HA GLU 49 HA GLU 49 2.095 -10.224 6.770 370 1HB GLU 49 2HB GLU 49 0.135 -10.415 5.196 371 2HB GLU 49 1HB GLU 49 1.276 -10.774 3.900 372 1HG GLU 49 2HG GLU 49 1.814 -12.436 6.219 373 2HG GLU 49 1HG GLU 49 0.138 -12.614 5.700 374 H PHE 50 H PHE 50 3.588 -9.250 3.720 375 HA PHE 50 HA PHE 50 5.486 -11.452 3.645 376 1HB PHE 50 2HB PHE 50 5.056 -8.919 2.109 377 2HB PHE 50 1HB PHE 50 6.618 -9.726 1.981 378 HD1 PHE 50 HD1 PHE 50 3.170 -11.154 2.394 379 HD2 PHE 50 HD2 PHE 50 6.648 -10.795 -0.106 380 HE1 PHE 50 HE1 PHE 50 2.207 -12.803 0.815 381 HE2 PHE 50 HE2 PHE 50 5.680 -12.441 -1.681 382 HZ PHE 50 HZ PHE 50 3.464 -13.448 -1.222 383 H LYS 51 H LYS 51 5.318 -8.708 5.623 384 HA LYS 51 HA LYS 51 6.841 -7.770 7.125 385 1HB LYS 51 2HB LYS 51 7.752 -10.457 6.672 386 2HB LYS 51 1HB LYS 51 9.158 -9.399 6.786 387 1HG LYS 51 2HG LYS 51 8.872 -9.683 9.031 388 2HG LYS 51 1HG LYS 51 7.650 -8.427 8.832 389 1HD LYS 51 2HD LYS 51 6.481 -10.954 8.134 390 2HD LYS 51 1HD LYS 51 7.267 -11.113 9.705 391 1HE LYS 51 2HE LYS 51 5.858 -9.604 10.718 392 2HE LYS 51 1HE LYS 51 5.658 -8.648 9.251 393 1HZ LYS 51 1HZ LYS 51 4.467 -10.844 8.464 394 2HZ LYS 51 2HZ LYS 51 3.639 -9.643 9.335 395 3HZ LYS 51 3HZ LYS 51 4.213 -11.031 10.131 396 H VAL 52 H VAL 52 6.741 -6.804 4.419 397 HA VAL 52 HA VAL 52 9.530 -5.760 4.168 398 HB VAL 52 HB VAL 52 9.156 -5.710 1.666 399 1HG1 VAL 52 1HG1 VAL 52 10.540 -7.450 2.681 400 2HG1 VAL 52 2HG1 VAL 52 9.587 -8.145 1.370 401 3HG1 VAL 52 3HG1 VAL 52 9.108 -8.410 3.047 402 1HG2 VAL 52 1HG2 VAL 52 6.868 -7.588 2.333 403 2HG2 VAL 52 2HG2 VAL 52 7.397 -7.102 0.723 404 3HG2 VAL 52 3HG2 VAL 52 6.660 -5.921 1.805 405 HA PRO 53 HA PRO 53 7.590 -1.817 4.085 406 1HB PRO 53 2HB PRO 53 9.461 -0.406 2.646 407 2HB PRO 53 1HB PRO 53 9.676 -0.896 4.334 408 1HG PRO 53 2HG PRO 53 10.921 -2.037 1.874 409 2HG PRO 53 1HG PRO 53 11.532 -2.025 3.537 410 1HD PRO 53 2HD PRO 53 10.323 -4.225 2.236 411 2HD PRO 53 1HD PRO 53 10.621 -4.082 3.982 412 H ALA 54 H ALA 54 5.882 -1.191 2.865 413 HA ALA 54 HA ALA 54 5.546 -1.998 0.105 414 1HB ALA 54 1HB ALA 54 3.985 -0.312 2.038 415 2HB ALA 54 2HB ALA 54 3.512 -1.803 1.224 416 3HB ALA 54 3HB ALA 54 3.559 -0.284 0.327 417 H ALA 55 H ALA 55 6.709 0.938 1.667 418 HA ALA 55 HA ALA 55 6.440 2.750 -0.521 419 1HB ALA 55 1HB ALA 55 8.572 2.672 1.636 420 2HB ALA 55 2HB ALA 55 7.012 3.484 1.762 421 3HB ALA 55 3HB ALA 55 8.212 4.055 0.602 422 H THR 56 H THR 56 9.083 0.498 0.335 423 HA THR 56 HA THR 56 10.316 1.083 -2.328 424 HB THR 56 HB THR 56 12.398 0.068 -1.306 425 HG1 THR 56 HG1 THR 56 12.029 -0.934 0.492 426 1HG2 THR 56 1HG2 THR 56 13.067 2.126 -0.550 427 2HG2 THR 56 2HG2 THR 56 11.642 2.333 0.468 428 3HG2 THR 56 3HG2 THR 56 11.532 2.612 -1.269 429 H SER 57 H SER 57 8.096 -0.643 -2.219 430 HA SER 57 HA SER 57 9.382 -3.200 -3.031 431 1HB SER 57 2HB SER 57 8.550 -3.527 -0.726 432 2HB SER 57 1HB SER 57 6.944 -3.016 -1.234 433 HG SER 57 HG SER 57 7.000 -5.230 -1.329 434 H ALA 58 H ALA 58 8.266 -4.289 -4.679 435 HA ALA 58 HA ALA 58 5.865 -2.906 -5.803 436 1HB ALA 58 1HB ALA 58 6.746 -3.107 -8.031 437 2HB ALA 58 2HB ALA 58 8.099 -4.090 -7.470 438 3HB ALA 58 3HB ALA 58 8.016 -2.379 -7.048 439 H ILE 59 H ILE 59 4.762 -4.403 -7.474 440 HA ILE 59 HA ILE 59 4.996 -7.260 -6.614 441 HB ILE 59 HB ILE 59 2.553 -5.511 -6.850 442 1HG1 ILE 59 2HG1 ILE 59 3.219 -7.711 -4.879 443 2HG1 ILE 59 1HG1 ILE 59 3.766 -6.049 -4.661 444 1HG2 ILE 59 1HG2 ILE 59 1.102 -7.372 -7.118 445 2HG2 ILE 59 2HG2 ILE 59 2.398 -8.530 -6.824 446 3HG2 ILE 59 3HG2 ILE 59 2.356 -7.616 -8.331 447 1HD1 ILE 59 1HD1 ILE 59 0.929 -7.084 -4.731 448 2HD1 ILE 59 2HD1 ILE 59 1.300 -5.376 -4.957 449 3HD1 ILE 59 3HD1 ILE 59 1.728 -6.177 -3.447 450 H ILE 60 H ILE 60 5.493 -8.507 -8.350 451 HA ILE 60 HA ILE 60 4.907 -7.451 -11.070 452 HB ILE 60 HB ILE 60 6.472 -9.203 -11.863 453 1HG1 ILE 60 2HG1 ILE 60 7.548 -9.856 -9.223 454 2HG1 ILE 60 1HG1 ILE 60 5.889 -10.422 -9.419 455 1HG2 ILE 60 1HG2 ILE 60 7.438 -7.060 -11.361 456 2HG2 ILE 60 2HG2 ILE 60 8.527 -8.282 -10.708 457 3HG2 ILE 60 3HG2 ILE 60 7.442 -7.401 -9.633 458 1HD1 ILE 60 1HD1 ILE 60 6.718 -11.293 -11.737 459 2HD1 ILE 60 2HD1 ILE 60 7.139 -12.207 -10.289 460 3HD1 ILE 60 3HD1 ILE 60 8.326 -11.136 -11.033 461 H THR 61 H THR 61 4.302 -9.268 -12.706 462 HA THR 61 HA THR 61 2.085 -10.854 -11.494 463 HB THR 61 HB THR 61 2.541 -10.186 -14.421 464 HG1 THR 61 HG1 THR 61 2.085 -8.271 -13.564 465 1HG2 THR 61 1HG2 THR 61 0.349 -11.498 -12.840 466 2HG2 THR 61 2HG2 THR 61 1.058 -11.992 -14.377 467 3HG2 THR 61 3HG2 THR 61 -0.044 -10.617 -14.316 468 H ASN 62 H ASN 62 1.761 -13.068 -12.295 469 HA ASN 62 HA ASN 62 4.082 -14.687 -12.210 470 1HB ASN 62 2HB ASN 62 1.224 -15.108 -12.932 471 2HB ASN 62 1HB ASN 62 2.367 -16.342 -13.459 472 1HD2 ASN 62 1HD2 ASN 62 3.189 -17.779 -11.869 473 2HD2 ASN 62 2HD2 ASN 62 2.829 -17.655 -10.215 474 H ASP 63 H ASP 63 2.607 -13.051 -14.939 475 HA ASP 63 HA ASP 63 3.965 -14.663 -16.965 476 1HB ASP 63 2HB ASP 63 2.537 -11.989 -17.122 477 2HB ASP 63 1HB ASP 63 3.172 -12.858 -18.519 478 H GLY 64 H GLY 64 4.403 -11.375 -15.608 479 1HA GLY 64 2HA GLY 64 6.982 -11.056 -15.175 480 2HA GLY 64 1HA GLY 64 7.071 -11.236 -16.927 481 H VAL 65 H VAL 65 4.888 -9.438 -14.717 482 HA VAL 65 HA VAL 65 5.578 -6.949 -16.227 483 HB VAL 65 HB VAL 65 2.796 -7.675 -15.250 484 1HG1 VAL 65 1HG1 VAL 65 3.178 -5.276 -15.336 485 2HG1 VAL 65 2HG1 VAL 65 2.176 -5.731 -16.713 486 3HG1 VAL 65 3HG1 VAL 65 3.894 -5.409 -16.941 487 1HG2 VAL 65 1HG2 VAL 65 4.120 -7.926 -17.955 488 2HG2 VAL 65 2HG2 VAL 65 2.371 -7.757 -17.798 489 3HG2 VAL 65 3HG2 VAL 65 3.193 -9.140 -17.075 490 H GLY 66 H GLY 66 6.424 -5.506 -14.825 491 1HA GLY 66 2HA GLY 66 6.262 -5.854 -11.954 492 2HA GLY 66 1HA GLY 66 7.049 -4.517 -12.789 493 H VAL 67 H VAL 67 4.017 -5.692 -11.497 494 HA VAL 67 HA VAL 67 2.425 -3.388 -12.246 495 HB VAL 67 HB VAL 67 1.904 -5.240 -9.903 496 1HG1 VAL 67 1HG1 VAL 67 -0.458 -4.715 -10.466 497 2HG1 VAL 67 2HG1 VAL 67 0.104 -3.630 -11.737 498 3HG1 VAL 67 3HG1 VAL 67 0.459 -3.268 -10.048 499 1HG2 VAL 67 1HG2 VAL 67 2.182 -5.956 -12.644 500 2HG2 VAL 67 2HG2 VAL 67 0.459 -5.970 -12.278 501 3HG2 VAL 67 3HG2 VAL 67 1.569 -6.953 -11.326 502 H ASN 68 H ASN 68 2.341 -1.429 -11.270 503 HA ASN 68 HA ASN 68 3.914 -1.041 -8.767 504 1HB ASN 68 2HB ASN 68 2.978 0.865 -10.926 505 2HB ASN 68 1HB ASN 68 3.682 1.421 -9.406 506 1HD2 ASN 68 1HD2 ASN 68 4.422 0.102 -12.542 507 2HD2 ASN 68 2HD2 ASN 68 6.098 -0.036 -12.316 508 HA PRO 69 HA PRO 69 0.294 -0.177 -6.426 509 1HB PRO 69 2HB PRO 69 1.334 1.604 -4.604 510 2HB PRO 69 1HB PRO 69 1.653 -0.138 -4.565 511 1HG PRO 69 2HG PRO 69 3.450 2.080 -5.420 512 2HG PRO 69 1HG PRO 69 3.865 0.480 -4.784 513 1HD PRO 69 2HD PRO 69 3.950 1.259 -7.506 514 2HD PRO 69 1HD PRO 69 4.056 -0.403 -6.889 515 H ALA 70 H ALA 70 -0.314 1.061 -8.608 516 HA ALA 70 HA ALA 70 -1.082 3.829 -7.825 517 1HB ALA 70 1HB ALA 70 0.948 4.049 -9.200 518 2HB ALA 70 2HB ALA 70 -0.457 4.673 -10.065 519 3HB ALA 70 3HB ALA 70 0.198 3.087 -10.474 520 H GLN 71 H GLN 71 -1.458 1.295 -10.342 521 HA GLN 71 HA GLN 71 -3.943 2.256 -11.383 522 1HB GLN 71 2HB GLN 71 -2.623 -0.457 -11.361 523 2HB GLN 71 1HB GLN 71 -4.204 -0.212 -12.101 524 1HG GLN 71 2HG GLN 71 -3.354 1.038 -13.830 525 2HG GLN 71 1HG GLN 71 -2.069 1.729 -12.837 526 1HE2 GLN 71 1HE2 GLN 71 -0.143 0.332 -12.415 527 2HE2 GLN 71 2HE2 GLN 71 0.226 -0.937 -13.480 528 HA PRO 72 HA PRO 72 -6.862 0.982 -8.337 529 1HB PRO 72 2HB PRO 72 -9.061 0.643 -9.952 530 2HB PRO 72 1HB PRO 72 -8.420 2.229 -9.488 531 1HG PRO 72 2HG PRO 72 -8.215 0.814 -12.102 532 2HG PRO 72 1HG PRO 72 -8.176 2.551 -11.762 533 1HD PRO 72 2HD PRO 72 -5.928 0.920 -12.313 534 2HD PRO 72 1HD PRO 72 -5.887 2.568 -11.648 535 H ALA 73 H ALA 73 -8.098 -0.883 -7.610 536 HA ALA 73 HA ALA 73 -6.997 -3.422 -8.190 537 1HB ALA 73 1HB ALA 73 -8.102 -3.555 -6.197 538 2HB ALA 73 2HB ALA 73 -9.445 -4.090 -7.206 539 3HB ALA 73 3HB ALA 73 -9.344 -2.407 -6.693 540 H GLY 74 H GLY 74 -9.998 -1.930 -9.440 541 1HA GLY 74 2HA GLY 74 -10.978 -4.126 -10.926 542 2HA GLY 74 1HA GLY 74 -11.257 -2.439 -11.353 543 H ASN 75 H ASN 75 -8.669 -1.580 -11.939 544 HA ASN 75 HA ASN 75 -8.284 -2.697 -14.588 545 1HB ASN 75 2HB ASN 75 -7.642 -0.306 -13.358 546 2HB ASN 75 1HB ASN 75 -6.069 -1.082 -13.535 547 1HD2 ASN 75 1HD2 ASN 75 -5.116 -0.398 -15.461 548 2HD2 ASN 75 2HD2 ASN 75 -5.939 -0.169 -16.929 549 H ILE 76 H ILE 76 -6.547 -2.997 -11.492 550 HA ILE 76 HA ILE 76 -4.259 -4.401 -12.460 551 HB ILE 76 HB ILE 76 -5.669 -4.540 -9.776 552 1HG1 ILE 76 2HG1 ILE 76 -4.683 -2.331 -10.556 553 2HG1 ILE 76 1HG1 ILE 76 -4.014 -2.951 -9.049 554 1HG2 ILE 76 1HG2 ILE 76 -4.345 -6.321 -9.357 555 2HG2 ILE 76 2HG2 ILE 76 -2.984 -5.204 -9.418 556 3HG2 ILE 76 3HG2 ILE 76 -3.453 -6.103 -10.860 557 1HD1 ILE 76 1HD1 ILE 76 -1.951 -3.016 -9.944 558 2HD1 ILE 76 2HD1 ILE 76 -2.597 -2.257 -11.397 559 3HD1 ILE 76 3HD1 ILE 76 -2.522 -4.014 -11.281 560 H PHE 77 H PHE 77 -7.460 -5.573 -11.417 561 HA PHE 77 HA PHE 77 -6.787 -8.381 -11.790 562 1HB PHE 77 2HB PHE 77 -8.653 -7.372 -10.304 563 2HB PHE 77 1HB PHE 77 -9.586 -7.249 -11.795 564 HD1 PHE 77 HD1 PHE 77 -10.292 -9.256 -13.019 565 HD2 PHE 77 HD2 PHE 77 -8.080 -9.548 -9.347 566 HE1 PHE 77 HE1 PHE 77 -10.881 -11.659 -12.854 567 HE2 PHE 77 HE2 PHE 77 -8.671 -11.952 -9.184 568 HZ PHE 77 HZ PHE 77 -10.070 -13.006 -10.938 569 H LEU 78 H LEU 78 -8.383 -5.879 -13.749 570 HA LEU 78 HA LEU 78 -9.257 -7.607 -15.871 571 1HB LEU 78 2HB LEU 78 -8.703 -4.645 -15.683 572 2HB LEU 78 1HB LEU 78 -9.165 -5.389 -17.214 573 HG LEU 78 HG LEU 78 -10.778 -5.794 -14.688 574 1HD1 LEU 78 1HD1 LEU 78 -12.194 -3.962 -15.324 575 2HD1 LEU 78 2HD1 LEU 78 -11.337 -3.748 -16.850 576 3HD1 LEU 78 3HD1 LEU 78 -10.543 -3.342 -15.329 577 1HD2 LEU 78 1HD2 LEU 78 -12.560 -6.286 -16.369 578 2HD2 LEU 78 2HD2 LEU 78 -11.187 -7.383 -16.505 579 3HD2 LEU 78 3HD2 LEU 78 -11.374 -6.058 -17.654 580 H LYS 79 H LYS 79 -6.220 -5.832 -15.322 581 HA LYS 79 HA LYS 79 -5.142 -6.679 -17.928 582 1HB LYS 79 2HB LYS 79 -4.608 -4.570 -16.132 583 2HB LYS 79 1HB LYS 79 -3.162 -5.581 -16.123 584 1HG LYS 79 2HG LYS 79 -3.428 -5.566 -18.720 585 2HG LYS 79 1HG LYS 79 -4.450 -4.156 -18.440 586 1HD LYS 79 2HD LYS 79 -2.600 -2.888 -18.270 587 2HD LYS 79 1HD LYS 79 -2.136 -3.808 -16.839 588 1HE LYS 79 2HE LYS 79 -1.479 -5.511 -18.936 589 2HE LYS 79 1HE LYS 79 -1.038 -3.918 -19.549 590 1HZ LYS 79 1HZ LYS 79 0.310 -5.491 -17.663 591 2HZ LYS 79 2HZ LYS 79 -0.217 -4.079 -16.880 592 3HZ LYS 79 3HZ LYS 79 0.751 -3.971 -18.271 593 H HIS 80 H HIS 80 -4.184 -7.173 -14.495 594 HA HIS 80 HA HIS 80 -2.503 -9.465 -15.340 595 1HB HIS 80 2HB HIS 80 -2.833 -8.408 -12.525 596 2HB HIS 80 1HB HIS 80 -1.493 -9.348 -13.184 597 HD1 HIS 80 HD1 HIS 80 -0.129 -8.064 -15.198 598 HD2 HIS 80 HD2 HIS 80 -2.435 -5.673 -12.680 599 HE1 HIS 80 HE1 HIS 80 0.672 -5.687 -15.536 600 H GLY 81 H GLY 81 -4.949 -8.896 -12.761 601 1HA GLY 81 2HA GLY 81 -6.914 -10.442 -12.679 602 2HA GLY 81 1HA GLY 81 -5.814 -11.740 -13.141 603 H SER 82 H SER 82 -5.516 -13.059 -11.412 604 HA SER 82 HA SER 82 -5.268 -11.815 -8.702 605 1HB SER 82 2HB SER 82 -7.085 -13.621 -9.308 606 2HB SER 82 1HB SER 82 -5.745 -14.750 -9.131 607 HG SER 82 HG SER 82 -7.070 -14.167 -7.191 608 H GLU 83 H GLU 83 -3.820 -14.243 -10.882 609 HA GLU 83 HA GLU 83 -1.745 -15.111 -9.127 610 1HB GLU 83 2HB GLU 83 -2.434 -15.424 -11.926 611 2HB GLU 83 1HB GLU 83 -0.695 -15.201 -11.739 612 1HG GLU 83 2HG GLU 83 -0.788 -17.471 -11.377 613 2HG GLU 83 1HG GLU 83 -1.090 -16.928 -9.725 614 H LEU 84 H LEU 84 -0.508 -13.590 -8.113 615 HA LEU 84 HA LEU 84 1.137 -11.789 -9.827 616 1HB LEU 84 2HB LEU 84 -0.570 -10.995 -7.464 617 2HB LEU 84 1HB LEU 84 0.832 -10.040 -7.947 618 HG LEU 84 HG LEU 84 -1.004 -10.791 -10.147 619 1HD1 LEU 84 1HD1 LEU 84 -1.803 -8.717 -8.083 620 2HD1 LEU 84 2HD1 LEU 84 -2.588 -10.284 -8.293 621 3HD1 LEU 84 3HD1 LEU 84 -2.657 -9.082 -9.582 622 1HD2 LEU 84 1HD2 LEU 84 0.592 -8.393 -9.257 623 2HD2 LEU 84 2HD2 LEU 84 -0.620 -8.242 -10.528 624 3HD2 LEU 84 3HD2 LEU 84 0.748 -9.333 -10.740 625 H ARG 85 H ARG 85 2.970 -10.814 -8.411 626 HA ARG 85 HA ARG 85 3.811 -12.675 -6.239 627 1HB ARG 85 2HB ARG 85 5.187 -12.158 -8.844 628 2HB ARG 85 1HB ARG 85 6.181 -12.380 -7.406 629 1HG ARG 85 2HG ARG 85 5.851 -14.605 -7.471 630 2HG ARG 85 1HG ARG 85 4.103 -14.375 -7.439 631 1HD ARG 85 2HD ARG 85 4.152 -15.259 -9.530 632 2HD ARG 85 1HD ARG 85 4.713 -13.663 -10.023 633 HE ARG 85 HE ARG 85 7.066 -14.604 -9.724 634 1HH1 ARG 85 2HH1 ARG 85 6.263 -17.252 -8.586 635 2HH1 ARG 85 1HH1 ARG 85 6.310 -18.283 -9.977 636 1HH2 ARG 85 1HH2 ARG 85 6.290 -15.651 -12.255 637 2HH2 ARG 85 2HH2 ARG 85 6.325 -17.373 -12.064 638 H LEU 86 H LEU 86 5.439 -11.742 -4.811 639 HA LEU 86 HA LEU 86 5.423 -8.755 -4.881 640 1HB LEU 86 2HB LEU 86 4.524 -10.200 -2.866 641 2HB LEU 86 1HB LEU 86 6.233 -10.338 -2.462 642 HG LEU 86 HG LEU 86 5.424 -7.602 -3.163 643 1HD1 LEU 86 1HD1 LEU 86 3.560 -7.460 -1.908 644 2HD1 LEU 86 2HD1 LEU 86 4.540 -7.842 -0.493 645 3HD1 LEU 86 3HD1 LEU 86 3.733 -9.134 -1.381 646 1HD2 LEU 86 1HD2 LEU 86 7.471 -8.861 -1.801 647 2HD2 LEU 86 2HD2 LEU 86 6.496 -8.201 -0.488 648 3HD2 LEU 86 3HD2 LEU 86 7.130 -7.133 -1.738 649 H ILE 87 H ILE 87 7.314 -7.692 -5.172 650 HA ILE 87 HA ILE 87 9.873 -9.156 -4.707 651 HB ILE 87 HB ILE 87 9.511 -9.192 -7.111 652 1HG1 ILE 87 2HG1 ILE 87 11.413 -6.891 -6.628 653 2HG1 ILE 87 1HG1 ILE 87 11.798 -8.532 -6.111 654 1HG2 ILE 87 1HG2 ILE 87 9.580 -6.504 -7.915 655 2HG2 ILE 87 2HG2 ILE 87 8.404 -6.551 -6.603 656 3HG2 ILE 87 3HG2 ILE 87 8.199 -7.595 -8.007 657 1HD1 ILE 87 1HD1 ILE 87 12.756 -8.247 -8.298 658 2HD1 ILE 87 2HD1 ILE 87 11.253 -7.576 -8.931 659 3HD1 ILE 87 3HD1 ILE 87 11.341 -9.281 -8.490 660 HA PRO 88 HA PRO 88 10.621 -5.438 -2.400 661 1HB PRO 88 2HB PRO 88 13.197 -6.074 -1.660 662 2HB PRO 88 1HB PRO 88 11.755 -6.749 -0.882 663 1HG PRO 88 2HG PRO 88 13.629 -8.044 -2.811 664 2HG PRO 88 1HG PRO 88 12.632 -8.783 -1.546 665 1HD PRO 88 2HD PRO 88 12.036 -8.771 -4.302 666 2HD PRO 88 1HD PRO 88 10.893 -9.153 -2.996 667 H ARG 89 H ARG 89 10.612 -4.030 -4.282 668 HA ARG 89 HA ARG 89 13.007 -3.769 -5.934 669 1HB ARG 89 2HB ARG 89 10.297 -2.547 -5.845 670 2HB ARG 89 1HB ARG 89 11.578 -1.555 -6.543 671 1HG ARG 89 2HG ARG 89 11.582 -4.371 -7.436 672 2HG ARG 89 1HG ARG 89 10.168 -3.444 -7.936 673 1HD ARG 89 2HD ARG 89 11.662 -2.987 -9.670 674 2HD ARG 89 1HD ARG 89 11.941 -1.619 -8.592 675 HE ARG 89 HE ARG 89 13.858 -3.179 -7.668 676 1HH1 ARG 89 2HH1 ARG 89 14.691 -1.409 -9.888 677 2HH1 ARG 89 1HH1 ARG 89 15.333 -2.522 -11.050 678 1HH2 ARG 89 1HH2 ARG 89 13.831 -5.309 -9.604 679 2HH2 ARG 89 2HH2 ARG 89 14.844 -4.739 -10.889 680 H ASP 90 H ASP 90 14.665 -3.227 -4.449 681 HA ASP 90 HA ASP 90 14.400 -0.550 -3.131 682 1HB ASP 90 2HB ASP 90 16.190 -2.896 -2.413 683 2HB ASP 90 1HB ASP 90 16.191 -1.337 -1.591 684 H ARG 91 H ARG 91 16.840 -2.706 -4.634 685 HA ARG 91 HA ARG 91 18.393 -0.292 -5.441 686 1HB ARG 91 2HB ARG 91 19.072 -3.204 -5.082 687 2HB ARG 91 1HB ARG 91 20.099 -2.171 -6.074 688 1HG ARG 91 2HG ARG 91 20.948 -1.088 -4.269 689 2HG ARG 91 1HG ARG 91 19.365 -0.952 -3.502 690 1HD ARG 91 2HD ARG 91 20.829 -3.589 -3.614 691 2HD ARG 91 1HD ARG 91 21.125 -2.427 -2.322 692 HE ARG 91 HE ARG 91 18.293 -3.048 -2.726 693 1HH1 ARG 91 1HH2 ARG 91 19.402 -2.258 -0.084 694 2HH1 ARG 91 2HH2 ARG 91 19.463 -3.765 0.768 695 1HH2 ARG 91 2HH1 ARG 91 19.170 -5.704 -2.103 696 2HH2 ARG 91 1HH1 ARG 91 19.330 -5.719 -0.379 697 H VAL 92 H VAL 92 19.696 -1.062 -7.669 698 HA VAL 92 HA VAL 92 17.671 -0.926 -9.730 699 HB VAL 92 HB VAL 92 20.648 -1.484 -9.968 700 1HG1 VAL 92 1HG1 VAL 92 19.772 -2.084 -12.053 701 2HG1 VAL 92 2HG1 VAL 92 20.115 -0.370 -12.285 702 3HG1 VAL 92 3HG1 VAL 92 18.465 -0.902 -11.956 703 1HG2 VAL 92 1HG2 VAL 92 20.992 0.824 -10.091 704 2HG2 VAL 92 2HG2 VAL 92 19.718 0.730 -8.876 705 3HG2 VAL 92 3HG2 VAL 92 19.320 1.152 -10.541 706 H GLY 93 H GLY 93 19.923 -3.505 -8.685 707 1HA GLY 93 2HA GLY 93 18.415 -5.431 -10.397 708 2HA GLY 93 1HA GLY 93 20.038 -5.700 -9.762 709 H HIS 94 HN HIS 94 17.290 -4.454 -7.892 710 HA HIS 94 HA HIS 94 17.056 -7.061 -6.480 711 1HB HIS 94 2HB HIS 94 18.716 -5.542 -5.280 712 2HB HIS 94 1HB HIS 94 17.368 -4.448 -4.978 713 HD1 HIS 94 HD1 HIS 94 16.127 -4.884 -2.860 714 HD2 HIS 94 HD2 HIS 94 18.043 -8.318 -4.250 715 HE1 HIS 94 HE1 HIS 94 15.713 -6.689 -1.131 Start of MODEL 14 1 1H MET 1 1H MET 1 -5.133 -18.654 3.475 2 2H MET 1 2H MET 1 -6.751 -18.654 3.992 3 3H MET 1 3H MET 1 -6.382 -18.850 2.347 4 HA MET 1 HA MET 1 -5.413 -20.974 2.718 5 1HB MET 1 2HB MET 1 -5.069 -19.946 5.341 6 2HB MET 1 1HB MET 1 -6.092 -21.372 5.490 7 1HG MET 1 2HG MET 1 -4.234 -22.285 3.720 8 2HG MET 1 1HG MET 1 -3.252 -21.171 4.673 9 1HE MET 1 1HE MET 1 -2.798 -24.847 5.220 10 2HE MET 1 2HE MET 1 -3.800 -24.159 3.944 11 3HE MET 1 3HE MET 1 -4.535 -25.181 5.174 12 H SER 2 H SER 2 -7.816 -20.702 5.349 13 HA SER 2 HA SER 2 -9.626 -22.406 3.723 14 1HB SER 2 2HB SER 2 -9.016 -22.193 6.538 15 2HB SER 2 1HB SER 2 -10.746 -21.982 6.283 16 HG SER 2 HG SER 2 -9.144 -24.089 5.241 17 H GLY 3 H GLY 3 -10.763 -21.049 2.356 18 1HA GLY 3 2HA GLY 3 -13.060 -19.896 2.594 19 2HA GLY 3 1HA GLY 3 -12.197 -18.731 3.598 20 H GLY 4 H GLY 4 -13.384 -19.162 0.577 21 1HA GLY 4 2HA GLY 4 -11.414 -17.251 -0.615 22 2HA GLY 4 1HA GLY 4 -12.044 -18.605 -1.555 23 H THR 5 H THR 5 -13.233 -15.857 0.406 24 HA THR 5 HA THR 5 -15.855 -15.821 -0.777 25 HB THR 5 HB THR 5 -15.915 -13.447 0.159 26 HG1 THR 5 HG1 THR 5 -14.142 -12.629 0.939 27 1HG2 THR 5 1HG2 THR 5 -14.985 -15.577 2.101 28 2HG2 THR 5 2HG2 THR 5 -16.610 -15.509 1.419 29 3HG2 THR 5 3HG2 THR 5 -16.032 -14.202 2.450 30 H ALA 6 H ALA 6 -16.176 -15.445 -2.926 31 HA ALA 6 HA ALA 6 -14.293 -13.712 -4.409 32 1HB ALA 6 1HB ALA 6 -14.973 -14.815 -6.275 33 2HB ALA 6 2HB ALA 6 -16.677 -14.698 -5.838 34 3HB ALA 6 3HB ALA 6 -15.676 -15.974 -5.147 35 H ALA 7 H ALA 7 -17.702 -13.788 -3.422 36 HA ALA 7 HA ALA 7 -17.867 -10.885 -4.115 37 1HB ALA 7 1HB ALA 7 -19.250 -12.179 -5.673 38 2HB ALA 7 2HB ALA 7 -20.285 -11.258 -4.582 39 3HB ALA 7 3HB ALA 7 -20.049 -12.987 -4.323 40 H THR 8 H THR 8 -17.506 -10.084 -2.040 41 HA THR 8 HA THR 8 -19.109 -11.181 0.213 42 HB THR 8 HB THR 8 -16.942 -9.049 0.243 43 HG1 THR 8 HG1 THR 8 -15.671 -10.692 0.073 44 1HG2 THR 8 1HG2 THR 8 -16.953 -9.321 2.630 45 2HG2 THR 8 2HG2 THR 8 -18.055 -10.695 2.527 46 3HG2 THR 8 3HG2 THR 8 -18.628 -9.074 2.139 47 H THR 9 H THR 9 -18.410 -8.034 -1.357 48 HA THR 9 HA THR 9 -20.755 -6.822 -0.031 49 HB THR 9 HB THR 9 -18.596 -5.553 -0.346 50 HG1 THR 9 HG1 THR 9 -20.109 -4.114 -0.093 51 1HG2 THR 9 1HG2 THR 9 -17.607 -5.637 -2.361 52 2HG2 THR 9 2HG2 THR 9 -18.917 -4.642 -2.993 53 3HG2 THR 9 3HG2 THR 9 -19.026 -6.399 -3.078 54 H ALA 10 H ALA 10 -22.082 -5.345 -1.744 55 HA ALA 10 HA ALA 10 -23.402 -7.239 -3.517 56 1HB ALA 10 1HB ALA 10 -23.731 -4.243 -3.168 57 2HB ALA 10 2HB ALA 10 -24.707 -5.501 -2.408 58 3HB ALA 10 3HB ALA 10 -24.788 -5.254 -4.153 59 H GLY 11 H GLY 11 -23.184 -7.423 -5.743 60 1HA GLY 11 2HA GLY 11 -22.576 -6.531 -7.939 61 2HA GLY 11 1HA GLY 11 -21.406 -5.477 -7.144 62 H SER 12 H SER 12 -19.310 -6.182 -7.017 63 HA SER 12 HA SER 12 -18.626 -9.017 -6.919 64 1HB SER 12 2HB SER 12 -17.319 -9.010 -9.046 65 2HB SER 12 1HB SER 12 -19.050 -8.849 -9.316 66 HG SER 12 HG SER 12 -18.637 -7.018 -10.241 67 H LYS 13 H LYS 13 -16.370 -9.353 -6.490 68 HA LYS 13 HA LYS 13 -14.819 -6.864 -5.874 69 1HB LYS 13 2HB LYS 13 -15.064 -9.411 -4.246 70 2HB LYS 13 1HB LYS 13 -13.847 -8.173 -3.941 71 1HG LYS 13 2HG LYS 13 -15.732 -6.502 -3.728 72 2HG LYS 13 1HG LYS 13 -16.853 -7.862 -3.790 73 1HD LYS 13 2HD LYS 13 -16.568 -8.091 -1.565 74 2HD LYS 13 1HD LYS 13 -14.916 -8.610 -1.898 75 1HE LYS 13 2HE LYS 13 -14.354 -6.089 -2.000 76 2HE LYS 13 1HE LYS 13 -15.909 -5.845 -1.207 77 1HZ LYS 13 1HZ LYS 13 -14.697 -6.126 0.645 78 2HZ LYS 13 2HZ LYS 13 -13.445 -6.951 -0.154 79 3HZ LYS 13 3HZ LYS 13 -14.856 -7.779 0.301 80 H VAL 14 H VAL 14 -12.547 -7.012 -6.198 81 HA VAL 14 HA VAL 14 -11.714 -9.248 -7.981 82 HB VAL 14 HB VAL 14 -9.687 -7.720 -8.384 83 1HG1 VAL 14 1HG1 VAL 14 -10.847 -6.481 -10.063 84 2HG1 VAL 14 2HG1 VAL 14 -12.351 -6.508 -9.145 85 3HG1 VAL 14 3HG1 VAL 14 -11.737 -7.991 -9.875 86 1HG2 VAL 14 1HG2 VAL 14 -9.850 -5.417 -7.755 87 2HG2 VAL 14 2HG2 VAL 14 -10.194 -6.337 -6.292 88 3HG2 VAL 14 3HG2 VAL 14 -11.515 -5.611 -7.206 89 H THR 15 H THR 15 -10.427 -10.819 -7.181 90 HA THR 15 HA THR 15 -9.153 -10.408 -4.520 91 HB THR 15 HB THR 15 -8.746 -12.994 -4.864 92 HG1 THR 15 HG1 THR 15 -9.796 -13.864 -6.464 93 1HG2 THR 15 1HG2 THR 15 -11.304 -11.563 -4.196 94 2HG2 THR 15 2HG2 THR 15 -10.172 -12.380 -3.117 95 3HG2 THR 15 3HG2 THR 15 -11.240 -13.325 -4.154 96 H PHE 16 H PHE 16 -6.920 -10.538 -4.254 97 HA PHE 16 HA PHE 16 -5.315 -10.946 -6.748 98 1HB PHE 16 2HB PHE 16 -4.738 -9.012 -4.490 99 2HB PHE 16 1HB PHE 16 -3.742 -9.247 -5.923 100 HD1 PHE 16 HD1 PHE 16 -4.985 -8.996 -8.232 101 HD2 PHE 16 HD2 PHE 16 -6.407 -7.358 -4.524 102 HE1 PHE 16 HE1 PHE 16 -6.388 -7.381 -9.483 103 HE2 PHE 16 HE2 PHE 16 -7.809 -5.743 -5.778 104 HZ PHE 16 HZ PHE 16 -7.800 -5.756 -8.255 105 H LYS 17 H LYS 17 -3.669 -12.350 -6.604 106 HA LYS 17 HA LYS 17 -3.000 -13.495 -3.920 107 1HB LYS 17 2HB LYS 17 -4.004 -14.833 -6.098 108 2HB LYS 17 1HB LYS 17 -2.268 -15.043 -6.333 109 1HG LYS 17 2HG LYS 17 -2.158 -15.758 -3.886 110 2HG LYS 17 1HG LYS 17 -3.920 -15.839 -3.927 111 1HD LYS 17 2HD LYS 17 -3.906 -17.546 -5.590 112 2HD LYS 17 1HD LYS 17 -2.199 -17.283 -5.950 113 1HE LYS 17 2HE LYS 17 -1.864 -17.892 -3.413 114 2HE LYS 17 1HE LYS 17 -3.443 -18.658 -3.587 115 1HZ LYS 17 1HZ LYS 17 -2.353 -19.668 -5.700 116 2HZ LYS 17 2HZ LYS 17 -2.043 -20.349 -4.177 117 3HZ LYS 17 3HZ LYS 17 -0.900 -19.320 -4.899 118 H ILE 18 H ILE 18 -1.085 -12.573 -3.284 119 HA ILE 18 HA ILE 18 1.045 -12.246 -5.363 120 HB ILE 18 HB ILE 18 0.746 -10.705 -2.766 121 1HG1 ILE 18 2HG1 ILE 18 0.467 -8.984 -4.973 122 2HG1 ILE 18 1HG1 ILE 18 -0.545 -10.377 -5.354 123 1HG2 ILE 18 1HG2 ILE 18 2.626 -10.538 -5.125 124 2HG2 ILE 18 2HG2 ILE 18 3.030 -10.730 -3.420 125 3HG2 ILE 18 3HG2 ILE 18 2.398 -9.193 -4.008 126 1HD1 ILE 18 1HD1 ILE 18 -1.029 -9.874 -2.641 127 2HD1 ILE 18 2HD1 ILE 18 -2.105 -9.496 -3.985 128 3HD1 ILE 18 3HD1 ILE 18 -0.977 -8.279 -3.389 129 H THR 19 H THR 19 2.839 -13.464 -5.091 130 HA THR 19 HA THR 19 3.301 -14.748 -2.423 131 HB THR 19 HB THR 19 4.614 -16.462 -3.780 132 HG1 THR 19 HG1 THR 19 4.830 -16.069 -5.812 133 1HG2 THR 19 1HG2 THR 19 2.732 -17.770 -4.037 134 2HG2 THR 19 2HG2 THR 19 1.801 -16.472 -4.785 135 3HG2 THR 19 3HG2 THR 19 2.055 -16.482 -3.040 136 H LEU 20 H LEU 20 5.163 -14.162 -1.393 137 HA LEU 20 HA LEU 20 6.909 -12.156 -2.496 138 1HB LEU 20 2HB LEU 20 6.422 -12.641 -0.018 139 2HB LEU 20 1HB LEU 20 7.597 -13.946 -0.160 140 HG LEU 20 HG LEU 20 9.188 -12.155 -1.135 141 1HD1 LEU 20 1HD1 LEU 20 8.648 -9.925 -0.965 142 2HD1 LEU 20 2HD1 LEU 20 7.631 -10.171 0.455 143 3HD1 LEU 20 3HD1 LEU 20 7.017 -10.565 -1.149 144 1HD2 LEU 20 1HD2 LEU 20 8.275 -12.352 1.729 145 2HD2 LEU 20 2HD2 LEU 20 9.572 -11.242 1.286 146 3HD2 LEU 20 3HD2 LEU 20 9.753 -12.971 0.994 147 H THR 21 H THR 21 8.722 -12.378 -3.702 148 HA THR 21 HA THR 21 9.518 -14.999 -4.689 149 HB THR 21 HB THR 21 11.333 -13.665 -5.856 150 HG1 THR 21 HG1 THR 21 11.692 -11.746 -5.133 151 1HG2 THR 21 1HG2 THR 21 8.714 -12.285 -6.320 152 2HG2 THR 21 2HG2 THR 21 8.821 -14.024 -6.593 153 3HG2 THR 21 3HG2 THR 21 9.865 -12.925 -7.493 154 H SER 22 H SER 22 10.890 -12.634 -2.404 155 HA SER 22 HA SER 22 13.207 -14.404 -1.882 156 1HB SER 22 2HB SER 22 13.844 -12.522 -0.281 157 2HB SER 22 1HB SER 22 13.771 -12.075 -1.982 158 HG SER 22 HG SER 22 12.489 -10.961 -0.002 159 H ASP 23 H ASP 23 11.151 -15.881 -1.172 160 HA ASP 23 HA ASP 23 11.249 -15.895 1.784 161 1HB ASP 23 2HB ASP 23 9.079 -14.736 0.567 162 2HB ASP 23 1HB ASP 23 8.538 -16.405 0.730 163 HA PRO 24 HA PRO 24 11.599 -20.192 0.844 164 1HB PRO 24 2HB PRO 24 11.467 -21.104 3.436 165 2HB PRO 24 1HB PRO 24 12.909 -20.362 2.724 166 1HG PRO 24 2HG PRO 24 10.972 -19.203 4.673 167 2HG PRO 24 1HG PRO 24 12.682 -18.814 4.423 168 1HD PRO 24 2HD PRO 24 10.490 -17.293 3.495 169 2HD PRO 24 1HD PRO 24 12.177 -17.116 2.970 170 H LYS 25 H LYS 25 10.354 -22.209 1.077 171 HA LYS 25 HA LYS 25 8.390 -23.466 1.074 172 1HB LYS 25 2HB LYS 25 8.300 -21.944 3.454 173 2HB LYS 25 1HB LYS 25 6.692 -21.825 2.740 174 1HG LYS 25 2HG LYS 25 6.532 -24.247 2.572 175 2HG LYS 25 1HG LYS 25 8.190 -24.429 3.146 176 1HD LYS 25 2HD LYS 25 7.335 -24.563 5.230 177 2HD LYS 25 1HD LYS 25 6.969 -22.844 5.093 178 1HE LYS 25 2HE LYS 25 4.949 -24.327 3.691 179 2HE LYS 25 1HE LYS 25 5.126 -24.999 5.313 180 1HZ LYS 25 1HZ LYS 25 4.908 -22.764 6.216 181 2HZ LYS 25 2HZ LYS 25 3.543 -23.184 5.300 182 3HZ LYS 25 3HZ LYS 25 4.713 -22.133 4.654 183 H LEU 26 H LEU 26 5.641 -22.385 1.273 184 HA LEU 26 HA LEU 26 5.602 -20.756 -1.239 185 1HB LEU 26 2HB LEU 26 4.778 -23.344 -1.044 186 2HB LEU 26 1HB LEU 26 3.274 -22.500 -0.678 187 HG LEU 26 HG LEU 26 4.357 -21.085 -2.838 188 1HD1 LEU 26 1HD1 LEU 26 4.408 -24.018 -3.547 189 2HD1 LEU 26 2HD1 LEU 26 5.867 -23.191 -3.003 190 3HD1 LEU 26 3HD1 LEU 26 5.042 -22.654 -4.466 191 1HD2 LEU 26 1HD2 LEU 26 2.272 -23.295 -2.811 192 2HD2 LEU 26 2HD2 LEU 26 2.437 -22.058 -4.057 193 3HD2 LEU 26 3HD2 LEU 26 1.975 -21.602 -2.418 194 HA PRO 27 HA PRO 27 3.202 -18.490 2.004 195 1HB PRO 27 2HB PRO 27 4.672 -16.175 1.838 196 2HB PRO 27 1HB PRO 27 5.082 -17.512 2.924 197 1HG PRO 27 2HG PRO 27 6.422 -16.670 0.407 198 2HG PRO 27 1HG PRO 27 7.074 -17.590 1.772 199 1HD PRO 27 2HD PRO 27 6.208 -18.646 -0.733 200 2HD PRO 27 1HD PRO 27 6.677 -19.568 0.710 201 H PHE 28 H PHE 28 1.370 -17.406 1.282 202 HA PHE 28 HA PHE 28 1.589 -15.686 -1.143 203 1HB PHE 28 2HB PHE 28 -0.532 -16.639 -2.026 204 2HB PHE 28 1HB PHE 28 0.758 -17.835 -1.956 205 HD1 PHE 28 HD1 PHE 28 -2.462 -16.766 -0.542 206 HD2 PHE 28 HD2 PHE 28 0.733 -19.625 -0.259 207 HE1 PHE 28 HE1 PHE 28 -3.887 -18.219 0.874 208 HE2 PHE 28 HE2 PHE 28 -0.693 -21.076 1.160 209 HZ PHE 28 HZ PHE 28 -3.002 -20.373 1.725 210 H LYS 29 H LYS 29 -0.088 -14.061 -1.304 211 HA LYS 29 HA LYS 29 -1.559 -13.576 1.262 212 1HB LYS 29 2HB LYS 29 0.507 -12.036 0.338 213 2HB LYS 29 1HB LYS 29 -0.873 -11.220 -0.395 214 1HG LYS 29 2HG LYS 29 -1.097 -11.997 2.483 215 2HG LYS 29 1HG LYS 29 -0.059 -10.628 2.082 216 1HD LYS 29 2HD LYS 29 -1.949 -9.602 0.825 217 2HD LYS 29 1HD LYS 29 -2.980 -10.941 1.332 218 1HE LYS 29 2HE LYS 29 -1.823 -10.062 3.709 219 2HE LYS 29 1HE LYS 29 -2.157 -8.571 2.829 220 1HZ LYS 29 1HZ LYS 29 -4.146 -8.946 3.868 221 2HZ LYS 29 2HZ LYS 29 -4.022 -10.637 3.766 222 3HZ LYS 29 3HZ LYS 29 -4.427 -9.728 2.390 223 H VAL 30 H VAL 30 -3.725 -13.605 0.942 224 HA VAL 30 HA VAL 30 -4.792 -13.137 -1.802 225 HB VAL 30 HB VAL 30 -6.205 -14.248 0.649 226 1HG1 VAL 30 1HG1 VAL 30 -7.113 -14.806 -2.130 227 2HG1 VAL 30 2HG1 VAL 30 -7.374 -13.166 -1.537 228 3HG1 VAL 30 3HG1 VAL 30 -8.061 -14.538 -0.667 229 1HG2 VAL 30 1HG2 VAL 30 -4.208 -15.465 -0.906 230 2HG2 VAL 30 2HG2 VAL 30 -5.722 -16.108 -1.540 231 3HG2 VAL 30 3HG2 VAL 30 -5.339 -16.281 0.172 232 H LEU 31 H LEU 31 -5.578 -11.122 -2.210 233 HA LEU 31 HA LEU 31 -6.611 -9.517 0.101 234 1HB LEU 31 2HB LEU 31 -4.857 -8.828 -2.200 235 2HB LEU 31 1HB LEU 31 -6.061 -7.621 -1.750 236 HG LEU 31 HG LEU 31 -4.635 -8.816 0.539 237 1HD1 LEU 31 1HD1 LEU 31 -2.877 -8.644 -1.312 238 2HD1 LEU 31 2HD1 LEU 31 -2.527 -7.758 0.172 239 3HD1 LEU 31 3HD1 LEU 31 -3.124 -6.900 -1.248 240 1HD2 LEU 31 1HD2 LEU 31 -4.390 -5.989 0.389 241 2HD2 LEU 31 2HD2 LEU 31 -5.506 -6.918 1.390 242 3HD2 LEU 31 3HD2 LEU 31 -5.997 -6.388 -0.218 243 H SER 32 H SER 32 -8.803 -9.583 0.011 244 HA SER 32 HA SER 32 -10.155 -9.532 -2.645 245 1HB SER 32 2HB SER 32 -10.670 -11.143 -0.543 246 2HB SER 32 1HB SER 32 -11.722 -9.795 -0.122 247 HG SER 32 HG SER 32 -12.777 -11.314 -1.463 248 H VAL 33 H VAL 33 -10.567 -7.488 -3.335 249 HA VAL 33 HA VAL 33 -11.793 -5.569 -1.410 250 HB VAL 33 HB VAL 33 -10.439 -3.733 -2.543 251 1HG1 VAL 33 1HG1 VAL 33 -8.366 -4.265 -1.210 252 2HG1 VAL 33 2HG1 VAL 33 -9.053 -5.857 -0.891 253 3HG1 VAL 33 3HG1 VAL 33 -9.870 -4.410 -0.302 254 1HG2 VAL 33 1HG2 VAL 33 -8.176 -4.715 -3.416 255 2HG2 VAL 33 2HG2 VAL 33 -9.565 -4.692 -4.501 256 3HG2 VAL 33 3HG2 VAL 33 -9.109 -6.186 -3.684 257 HA PRO 34 HA PRO 34 -14.587 -4.765 -4.704 258 1HB PRO 34 2HB PRO 34 -15.289 -2.171 -4.109 259 2HB PRO 34 1HB PRO 34 -15.858 -3.578 -3.193 260 1HG PRO 34 2HG PRO 34 -13.793 -1.558 -2.444 261 2HG PRO 34 1HG PRO 34 -14.836 -2.536 -1.401 262 1HD PRO 34 2HD PRO 34 -12.113 -3.043 -1.942 263 2HD PRO 34 1HD PRO 34 -13.257 -4.188 -1.210 264 H GLU 35 H GLU 35 -14.798 -3.628 -6.727 265 HA GLU 35 HA GLU 35 -12.345 -2.714 -7.914 266 1HB GLU 35 2HB GLU 35 -15.224 -2.779 -8.799 267 2HB GLU 35 1HB GLU 35 -14.022 -1.927 -9.770 268 1HG GLU 35 2HG GLU 35 -13.706 -3.983 -10.715 269 2HG GLU 35 1HG GLU 35 -12.697 -4.256 -9.294 270 H SER 36 H SER 36 -11.715 -1.038 -6.460 271 HA SER 36 HA SER 36 -12.286 1.622 -7.297 272 1HB SER 36 2HB SER 36 -13.400 2.395 -5.129 273 2HB SER 36 1HB SER 36 -14.429 1.486 -6.229 274 HG SER 36 HG SER 36 -14.230 0.919 -3.817 275 H THR 37 H THR 37 -11.294 -0.480 -4.602 276 HA THR 37 HA THR 37 -9.594 1.375 -3.254 277 HB THR 37 HB THR 37 -8.398 -0.729 -2.448 278 HG1 THR 37 HG1 THR 37 -8.715 -2.121 -4.105 279 1HG2 THR 37 1HG2 THR 37 -9.968 -0.446 -0.860 280 2HG2 THR 37 2HG2 THR 37 -10.964 -1.603 -1.742 281 3HG2 THR 37 3HG2 THR 37 -11.147 0.125 -2.040 282 HA PRO 38 HA PRO 38 -6.307 1.719 -6.186 283 1HB PRO 38 2HB PRO 38 -4.510 2.963 -4.522 284 2HB PRO 38 1HB PRO 38 -5.894 3.784 -5.261 285 1HG PRO 38 2HG PRO 38 -5.526 2.897 -2.438 286 2HG PRO 38 1HG PRO 38 -6.525 4.210 -3.080 287 1HD PRO 38 2HD PRO 38 -7.456 1.662 -2.268 288 2HD PRO 38 1HD PRO 38 -8.372 2.860 -3.208 289 H PHE 39 H PHE 39 -4.231 0.802 -6.638 290 HA PHE 39 HA PHE 39 -3.645 -1.704 -5.354 291 1HB PHE 39 2HB PHE 39 -3.066 -0.798 -7.780 292 2HB PHE 39 1HB PHE 39 -1.573 -0.289 -6.994 293 HD1 PHE 39 HD1 PHE 39 -3.806 -3.305 -6.684 294 HD2 PHE 39 HD2 PHE 39 0.156 -1.798 -7.386 295 HE1 PHE 39 HE1 PHE 39 -2.945 -5.626 -6.817 296 HE2 PHE 39 HE2 PHE 39 1.015 -4.120 -7.519 297 HZ PHE 39 HZ PHE 39 -0.536 -6.034 -7.235 298 H THR 40 H THR 40 -2.753 1.551 -4.593 299 HA THR 40 HA THR 40 -0.230 1.116 -3.309 300 HB THR 40 HB THR 40 -1.135 3.120 -1.824 301 HG1 THR 40 HG1 THR 40 -2.888 4.094 -2.612 302 1HG2 THR 40 1HG2 THR 40 0.569 3.219 -3.660 303 2HG2 THR 40 2HG2 THR 40 -0.428 4.669 -3.537 304 3HG2 THR 40 3HG2 THR 40 -0.750 3.482 -4.801 305 H ALA 41 H ALA 41 -3.579 1.013 -2.082 306 HA ALA 41 HA ALA 41 -2.813 0.214 0.600 307 1HB ALA 41 1HB ALA 41 -4.928 1.122 0.666 308 2HB ALA 41 2HB ALA 41 -5.382 -0.571 0.471 309 3HB ALA 41 3HB ALA 41 -5.358 0.503 -0.927 310 H VAL 42 H VAL 42 -3.894 -1.523 -2.329 311 HA VAL 42 HA VAL 42 -4.108 -4.127 -1.155 312 HB VAL 42 HB VAL 42 -3.332 -3.353 -3.991 313 1HG1 VAL 42 1HG1 VAL 42 -2.746 -5.619 -3.825 314 2HG1 VAL 42 2HG1 VAL 42 -4.418 -5.704 -4.375 315 3HG1 VAL 42 3HG1 VAL 42 -4.035 -5.969 -2.675 316 1HG2 VAL 42 1HG2 VAL 42 -5.961 -3.814 -2.577 317 2HG2 VAL 42 2HG2 VAL 42 -5.818 -4.038 -4.320 318 3HG2 VAL 42 3HG2 VAL 42 -5.489 -2.461 -3.603 319 H LEU 43 H LEU 43 -1.364 -2.579 -2.855 320 HA LEU 43 HA LEU 43 0.509 -4.708 -2.468 321 1HB LEU 43 2HB LEU 43 0.710 -2.666 -4.018 322 2HB LEU 43 1HB LEU 43 1.233 -1.771 -2.591 323 HG LEU 43 HG LEU 43 2.610 -4.351 -2.935 324 1HD1 LEU 43 1HD1 LEU 43 2.166 -3.038 -5.302 325 2HD1 LEU 43 2HD1 LEU 43 3.564 -4.061 -4.980 326 3HD1 LEU 43 3HD1 LEU 43 3.687 -2.314 -4.781 327 1HD2 LEU 43 1HD2 LEU 43 3.648 -3.018 -1.361 328 2HD2 LEU 43 2HD2 LEU 43 3.202 -1.521 -2.180 329 3HD2 LEU 43 3HD2 LEU 43 4.542 -2.492 -2.786 330 H LYS 44 H LYS 44 -0.428 -1.955 -0.440 331 HA LYS 44 HA LYS 44 1.669 -2.160 1.496 332 1HB LYS 44 2HB LYS 44 -0.695 -0.614 1.135 333 2HB LYS 44 1HB LYS 44 -0.780 -1.322 2.747 334 1HG LYS 44 2HG LYS 44 1.487 -0.467 3.235 335 2HG LYS 44 1HG LYS 44 1.556 0.248 1.623 336 1HD LYS 44 2HD LYS 44 -0.592 1.496 2.248 337 2HD LYS 44 1HD LYS 44 -0.274 1.002 3.909 338 1HE LYS 44 2HE LYS 44 0.876 3.003 3.919 339 2HE LYS 44 1HE LYS 44 2.160 1.951 3.311 340 1HZ LYS 44 1HZ LYS 44 0.994 2.540 1.028 341 2HZ LYS 44 2HZ LYS 44 2.193 3.539 1.707 342 3HZ LYS 44 3HZ LYS 44 0.552 3.935 1.884 343 H PHE 45 H PHE 45 -1.647 -3.532 1.502 344 HA PHE 45 HA PHE 45 -1.413 -4.924 3.983 345 1HB PHE 45 2HB PHE 45 -3.218 -4.991 1.640 346 2HB PHE 45 1HB PHE 45 -3.143 -6.490 2.567 347 HD1 PHE 45 HD1 PHE 45 -4.133 -2.957 2.600 348 HD2 PHE 45 HD2 PHE 45 -3.765 -6.533 4.956 349 HE1 PHE 45 HE1 PHE 45 -5.577 -1.956 4.350 350 HE2 PHE 45 HE2 PHE 45 -5.209 -5.529 6.703 351 HZ PHE 45 HZ PHE 45 -6.114 -3.242 6.400 352 H ALA 46 H ALA 46 -0.701 -5.980 0.641 353 HA ALA 46 HA ALA 46 -0.011 -8.683 1.304 354 1HB ALA 46 1HB ALA 46 1.374 -8.470 -0.890 355 2HB ALA 46 2HB ALA 46 0.660 -6.863 -1.005 356 3HB ALA 46 3HB ALA 46 -0.377 -8.288 -0.993 357 H ALA 47 H ALA 47 1.985 -5.737 0.970 358 HA ALA 47 HA ALA 47 4.495 -7.007 1.562 359 1HB ALA 47 1HB ALA 47 3.666 -4.118 1.982 360 2HB ALA 47 2HB ALA 47 4.324 -4.783 0.487 361 3HB ALA 47 3HB ALA 47 5.323 -4.721 1.939 362 H GLU 48 H GLU 48 2.004 -5.512 3.612 363 HA GLU 48 HA GLU 48 3.478 -5.478 6.061 364 1HB GLU 48 2HB GLU 48 0.678 -5.192 5.236 365 2HB GLU 48 1HB GLU 48 0.846 -5.971 6.810 366 1HG GLU 48 2HG GLU 48 1.333 -3.993 7.765 367 2HG GLU 48 1HG GLU 48 2.702 -3.784 6.674 368 H GLU 49 H GLU 49 1.387 -7.988 4.610 369 HA GLU 49 HA GLU 49 1.635 -9.879 6.767 370 1HB GLU 49 2HB GLU 49 -0.109 -9.996 4.977 371 2HB GLU 49 1HB GLU 49 1.147 -10.432 3.820 372 1HG GLU 49 2HG GLU 49 1.208 -12.093 6.239 373 2HG GLU 49 1HG GLU 49 -0.314 -12.221 5.359 374 H PHE 50 H PHE 50 3.487 -9.365 3.769 375 HA PHE 50 HA PHE 50 5.259 -11.628 4.219 376 1HB PHE 50 2HB PHE 50 5.252 -9.298 2.305 377 2HB PHE 50 1HB PHE 50 6.603 -10.427 2.375 378 HD1 PHE 50 HD1 PHE 50 3.785 -9.766 0.557 379 HD2 PHE 50 HD2 PHE 50 5.588 -13.028 2.693 380 HE1 PHE 50 HE1 PHE 50 2.502 -11.379 -0.821 381 HE2 PHE 50 HE2 PHE 50 4.304 -14.635 1.313 382 HZ PHE 50 HZ PHE 50 2.762 -13.815 -0.442 383 H LYS 51 H LYS 51 5.102 -8.578 5.672 384 HA LYS 51 HA LYS 51 6.527 -7.518 7.190 385 1HB LYS 51 2HB LYS 51 7.306 -10.207 7.281 386 2HB LYS 51 1HB LYS 51 8.812 -9.319 7.045 387 1HG LYS 51 2HG LYS 51 8.537 -8.076 9.020 388 2HG LYS 51 1HG LYS 51 6.804 -8.396 9.091 389 1HD LYS 51 2HD LYS 51 7.980 -10.935 9.157 390 2HD LYS 51 1HD LYS 51 9.007 -9.948 10.199 391 1HE LYS 51 2HE LYS 51 6.901 -9.131 11.344 392 2HE LYS 51 1HE LYS 51 6.010 -10.344 10.425 393 1HZ LYS 51 1HZ LYS 51 6.542 -11.320 12.488 394 2HZ LYS 51 2HZ LYS 51 8.157 -10.793 12.420 395 3HZ LYS 51 3HZ LYS 51 7.612 -12.010 11.366 396 H VAL 52 H VAL 52 6.637 -7.010 4.303 397 HA VAL 52 HA VAL 52 9.454 -6.015 4.103 398 HB VAL 52 HB VAL 52 9.153 -6.085 1.617 399 1HG1 VAL 52 1HG1 VAL 52 10.318 -7.920 2.699 400 2HG1 VAL 52 2HG1 VAL 52 9.292 -8.572 1.422 401 3HG1 VAL 52 3HG1 VAL 52 8.789 -8.697 3.108 402 1HG2 VAL 52 1HG2 VAL 52 7.188 -7.854 1.075 403 2HG2 VAL 52 2HG2 VAL 52 6.929 -6.111 1.040 404 3HG2 VAL 52 3HG2 VAL 52 6.462 -7.043 2.459 405 HA PRO 53 HA PRO 53 7.729 -1.985 3.817 406 1HB PRO 53 2HB PRO 53 9.622 -0.750 2.251 407 2HB PRO 53 1HB PRO 53 9.855 -1.149 3.960 408 1HG PRO 53 2HG PRO 53 10.986 -2.492 1.546 409 2HG PRO 53 1HG PRO 53 11.640 -2.409 3.190 410 1HD PRO 53 2HD PRO 53 10.304 -4.627 2.058 411 2HD PRO 53 1HD PRO 53 10.643 -4.387 3.786 412 H ALA 54 H ALA 54 5.987 -1.436 2.628 413 HA ALA 54 HA ALA 54 5.541 -2.327 -0.086 414 1HB ALA 54 1HB ALA 54 3.492 -2.000 0.864 415 2HB ALA 54 2HB ALA 54 3.690 -0.358 0.253 416 3HB ALA 54 3HB ALA 54 4.080 -0.726 1.933 417 H ALA 55 H ALA 55 6.637 0.729 1.341 418 HA ALA 55 HA ALA 55 6.479 2.303 -1.062 419 1HB ALA 55 1HB ALA 55 6.704 3.225 1.267 420 2HB ALA 55 2HB ALA 55 7.854 3.910 0.120 421 3HB ALA 55 3HB ALA 55 8.381 2.680 1.267 422 H THR 56 H THR 56 8.858 0.005 0.132 423 HA THR 56 HA THR 56 10.674 0.745 -2.127 424 HB THR 56 HB THR 56 11.458 -1.020 0.195 425 HG1 THR 56 HG1 THR 56 11.332 0.647 1.438 426 1HG2 THR 56 1HG2 THR 56 13.693 -0.257 -0.367 427 2HG2 THR 56 2HG2 THR 56 13.046 0.895 -1.534 428 3HG2 THR 56 3HG2 THR 56 12.912 -0.836 -1.837 429 H SER 57 H SER 57 8.185 -1.139 -2.015 430 HA SER 57 HA SER 57 9.547 -3.390 -3.409 431 1HB SER 57 2HB SER 57 8.184 -5.046 -2.307 432 2HB SER 57 1HB SER 57 8.946 -4.069 -1.059 433 HG SER 57 HG SER 57 6.627 -4.463 -0.819 434 H ALA 58 H ALA 58 8.291 -4.382 -5.034 435 HA ALA 58 HA ALA 58 5.745 -2.982 -5.753 436 1HB ALA 58 1HB ALA 58 6.547 -2.413 -7.792 437 2HB ALA 58 2HB ALA 58 7.247 -4.012 -8.041 438 3HB ALA 58 3HB ALA 58 8.146 -2.785 -7.152 439 H ILE 59 H ILE 59 4.505 -4.367 -7.431 440 HA ILE 59 HA ILE 59 4.789 -7.256 -6.702 441 HB ILE 59 HB ILE 59 2.373 -5.492 -7.027 442 1HG1 ILE 59 2HG1 ILE 59 2.879 -7.774 -5.109 443 2HG1 ILE 59 1HG1 ILE 59 3.492 -6.148 -4.804 444 1HG2 ILE 59 1HG2 ILE 59 1.249 -7.964 -6.877 445 2HG2 ILE 59 2HG2 ILE 59 2.644 -8.318 -7.894 446 3HG2 ILE 59 3HG2 ILE 59 1.478 -7.094 -8.393 447 1HD1 ILE 59 1HD1 ILE 59 1.269 -5.226 -4.793 448 2HD1 ILE 59 2HD1 ILE 59 1.246 -6.644 -3.745 449 3HD1 ILE 59 3HD1 ILE 59 0.578 -6.740 -5.374 450 H ILE 60 H ILE 60 5.391 -8.485 -8.416 451 HA ILE 60 HA ILE 60 4.973 -7.401 -11.153 452 HB ILE 60 HB ILE 60 6.611 -9.084 -11.877 453 1HG1 ILE 60 2HG1 ILE 60 7.491 -9.943 -9.243 454 2HG1 ILE 60 1HG1 ILE 60 5.818 -10.418 -9.529 455 1HG2 ILE 60 1HG2 ILE 60 7.514 -7.596 -9.393 456 2HG2 ILE 60 2HG2 ILE 60 7.427 -6.914 -11.016 457 3HG2 ILE 60 3HG2 ILE 60 8.567 -8.212 -10.665 458 1HD1 ILE 60 1HD1 ILE 60 7.493 -10.850 -11.881 459 2HD1 ILE 60 2HD1 ILE 60 6.423 -11.976 -11.047 460 3HD1 ILE 60 3HD1 ILE 60 8.074 -11.745 -10.478 461 H THR 61 H THR 61 4.466 -9.171 -12.851 462 HA THR 61 HA THR 61 2.161 -10.768 -11.834 463 HB THR 61 HB THR 61 2.796 -10.285 -14.747 464 HG1 THR 61 HG1 THR 61 1.108 -8.600 -13.250 465 1HG2 THR 61 1HG2 THR 61 0.095 -10.433 -13.424 466 2HG2 THR 61 2HG2 THR 61 0.979 -11.902 -13.827 467 3HG2 THR 61 3HG2 THR 61 0.522 -10.773 -15.100 468 H ASN 62 H ASN 62 1.907 -12.980 -12.606 469 HA ASN 62 HA ASN 62 4.222 -14.602 -12.425 470 1HB ASN 62 2HB ASN 62 2.792 -16.440 -13.207 471 2HB ASN 62 1HB ASN 62 1.916 -15.434 -12.054 472 1HD2 ASN 62 1HD2 ASN 62 1.949 -16.586 -15.349 473 2HD2 ASN 62 2HD2 ASN 62 0.564 -15.751 -15.867 474 H ASP 63 H ASP 63 2.861 -12.946 -15.195 475 HA ASP 63 HA ASP 63 4.299 -14.536 -17.183 476 1HB ASP 63 2HB ASP 63 2.953 -11.824 -17.426 477 2HB ASP 63 1HB ASP 63 3.516 -12.814 -18.773 478 H GLY 64 H GLY 64 4.664 -11.241 -15.810 479 1HA GLY 64 2HA GLY 64 7.239 -10.945 -15.266 480 2HA GLY 64 1HA GLY 64 7.377 -11.075 -17.019 481 H VAL 65 H VAL 65 5.134 -9.339 -14.816 482 HA VAL 65 HA VAL 65 5.853 -6.811 -16.243 483 HB VAL 65 HB VAL 65 3.057 -7.629 -15.378 484 1HG1 VAL 65 1HG1 VAL 65 3.852 -5.126 -15.419 485 2HG1 VAL 65 2HG1 VAL 65 2.321 -5.556 -16.179 486 3HG1 VAL 65 3HG1 VAL 65 3.760 -5.316 -17.170 487 1HG2 VAL 65 1HG2 VAL 65 2.780 -7.410 -17.991 488 2HG2 VAL 65 2HG2 VAL 65 3.416 -8.905 -17.305 489 3HG2 VAL 65 3HG2 VAL 65 4.517 -7.718 -18.007 490 H GLY 66 H GLY 66 6.725 -5.456 -14.766 491 1HA GLY 66 2HA GLY 66 6.399 -5.848 -11.908 492 2HA GLY 66 1HA GLY 66 7.303 -4.544 -12.676 493 H VAL 67 H VAL 67 4.130 -5.579 -11.602 494 HA VAL 67 HA VAL 67 2.733 -3.160 -12.392 495 HB VAL 67 HB VAL 67 1.929 -5.078 -10.186 496 1HG1 VAL 67 1HG1 VAL 67 0.189 -3.513 -12.100 497 2HG1 VAL 67 2HG1 VAL 67 0.719 -2.847 -10.557 498 3HG1 VAL 67 3HG1 VAL 67 -0.283 -4.296 -10.592 499 1HG2 VAL 67 1HG2 VAL 67 2.453 -5.797 -12.821 500 2HG2 VAL 67 2HG2 VAL 67 0.720 -5.485 -12.820 501 3HG2 VAL 67 3HG2 VAL 67 1.399 -6.670 -11.709 502 H ASN 68 H ASN 68 2.715 -1.231 -11.362 503 HA ASN 68 HA ASN 68 4.085 -1.022 -8.725 504 1HB ASN 68 2HB ASN 68 3.524 0.893 -10.974 505 2HB ASN 68 1HB ASN 68 3.784 1.528 -9.350 506 1HD2 ASN 68 1HD2 ASN 68 5.473 1.109 -12.091 507 2HD2 ASN 68 2HD2 ASN 68 7.000 0.709 -11.469 508 HA PRO 69 HA PRO 69 0.317 -0.085 -6.650 509 1HB PRO 69 2HB PRO 69 1.281 1.567 -4.667 510 2HB PRO 69 1HB PRO 69 1.519 -0.188 -4.680 511 1HG PRO 69 2HG PRO 69 3.480 1.973 -5.277 512 2HG PRO 69 1HG PRO 69 3.768 0.327 -4.690 513 1HD PRO 69 2HD PRO 69 4.108 1.233 -7.358 514 2HD PRO 69 1HD PRO 69 4.105 -0.459 -6.816 515 H ALA 70 H ALA 70 -0.027 1.269 -8.823 516 HA ALA 70 HA ALA 70 -0.811 4.007 -7.989 517 1HB ALA 70 1HB ALA 70 1.330 3.346 -9.901 518 2HB ALA 70 2HB ALA 70 1.022 4.850 -9.034 519 3HB ALA 70 3HB ALA 70 0.144 4.494 -10.520 520 H GLN 71 H GLN 71 -2.052 1.291 -8.961 521 HA GLN 71 HA GLN 71 -3.879 2.550 -10.970 522 1HB GLN 71 2HB GLN 71 -2.590 -0.175 -10.978 523 2HB GLN 71 1HB GLN 71 -4.126 0.089 -11.805 524 1HG GLN 71 2HG GLN 71 -3.179 1.720 -13.262 525 2HG GLN 71 1HG GLN 71 -1.722 1.860 -12.277 526 1HE2 GLN 71 1HE2 GLN 71 -0.158 0.054 -12.361 527 2HE2 GLN 71 2HE2 GLN 71 -0.188 -1.054 -13.647 528 HA PRO 72 HA PRO 72 -7.142 1.194 -8.347 529 1HB PRO 72 2HB PRO 72 -9.120 0.715 -10.198 530 2HB PRO 72 1HB PRO 72 -8.599 2.338 -9.714 531 1HG PRO 72 2HG PRO 72 -8.024 0.857 -12.238 532 2HG PRO 72 1HG PRO 72 -8.099 2.603 -11.955 533 1HD PRO 72 2HD PRO 72 -5.736 1.067 -12.182 534 2HD PRO 72 1HD PRO 72 -5.843 2.728 -11.560 535 H ALA 73 H ALA 73 -8.039 -0.717 -7.502 536 HA ALA 73 HA ALA 73 -6.883 -3.218 -8.097 537 1HB ALA 73 1HB ALA 73 -9.065 -2.230 -6.423 538 2HB ALA 73 2HB ALA 73 -7.914 -3.528 -6.110 539 3HB ALA 73 3HB ALA 73 -9.379 -3.852 -7.034 540 H GLY 74 H GLY 74 -9.939 -1.824 -9.305 541 1HA GLY 74 2HA GLY 74 -10.933 -4.095 -10.679 542 2HA GLY 74 1HA GLY 74 -11.260 -2.426 -11.148 543 H ASN 75 H ASN 75 -8.722 -1.528 -11.849 544 HA ASN 75 HA ASN 75 -8.391 -2.685 -14.478 545 1HB ASN 75 2HB ASN 75 -7.915 -0.270 -13.789 546 2HB ASN 75 1HB ASN 75 -6.416 -0.870 -13.076 547 1HD2 ASN 75 1HD2 ASN 75 -4.702 -1.514 -14.519 548 2HD2 ASN 75 2HD2 ASN 75 -4.791 -1.287 -16.199 549 H ILE 76 H ILE 76 -6.614 -3.005 -11.414 550 HA ILE 76 HA ILE 76 -4.331 -4.397 -12.407 551 HB ILE 76 HB ILE 76 -5.734 -4.601 -9.723 552 1HG1 ILE 76 2HG1 ILE 76 -4.846 -2.346 -10.403 553 2HG1 ILE 76 1HG1 ILE 76 -4.069 -3.006 -8.967 554 1HG2 ILE 76 1HG2 ILE 76 -2.865 -5.195 -9.807 555 2HG2 ILE 76 2HG2 ILE 76 -3.826 -6.353 -10.724 556 3HG2 ILE 76 3HG2 ILE 76 -4.171 -6.076 -9.018 557 1HD1 ILE 76 1HD1 ILE 76 -2.930 -3.309 -11.758 558 2HD1 ILE 76 2HD1 ILE 76 -2.132 -3.679 -10.231 559 3HD1 ILE 76 3HD1 ILE 76 -2.476 -2.005 -10.662 560 H PHE 77 H PHE 77 -7.499 -5.613 -11.299 561 HA PHE 77 HA PHE 77 -6.835 -8.405 -11.736 562 1HB PHE 77 2HB PHE 77 -8.682 -7.400 -10.222 563 2HB PHE 77 1HB PHE 77 -9.635 -7.275 -11.699 564 HD1 PHE 77 HD1 PHE 77 -8.192 -9.544 -9.213 565 HD2 PHE 77 HD2 PHE 77 -10.263 -9.311 -12.971 566 HE1 PHE 77 HE1 PHE 77 -8.783 -11.946 -9.039 567 HE2 PHE 77 HE2 PHE 77 -10.852 -11.712 -12.794 568 HZ PHE 77 HZ PHE 77 -10.112 -13.029 -10.828 569 H LEU 78 H LEU 78 -8.463 -5.888 -13.652 570 HA LEU 78 HA LEU 78 -9.329 -7.623 -15.784 571 1HB LEU 78 2HB LEU 78 -8.859 -4.643 -15.595 572 2HB LEU 78 1HB LEU 78 -9.395 -5.409 -17.090 573 HG LEU 78 HG LEU 78 -10.832 -5.822 -14.460 574 1HD1 LEU 78 1HD1 LEU 78 -11.289 -3.584 -14.643 575 2HD1 LEU 78 2HD1 LEU 78 -12.464 -4.153 -15.828 576 3HD1 LEU 78 3HD1 LEU 78 -10.901 -3.538 -16.362 577 1HD2 LEU 78 1HD2 LEU 78 -11.629 -7.451 -15.901 578 2HD2 LEU 78 2HD2 LEU 78 -11.280 -6.496 -17.342 579 3HD2 LEU 78 3HD2 LEU 78 -12.693 -6.120 -16.356 580 H LYS 79 H LYS 79 -6.375 -5.694 -15.284 581 HA LYS 79 HA LYS 79 -5.299 -6.389 -17.913 582 1HB LYS 79 2HB LYS 79 -4.836 -4.273 -16.410 583 2HB LYS 79 1HB LYS 79 -3.605 -5.308 -15.685 584 1HG LYS 79 2HG LYS 79 -2.456 -5.573 -17.740 585 2HG LYS 79 1HG LYS 79 -3.826 -4.978 -18.678 586 1HD LYS 79 2HD LYS 79 -2.656 -3.018 -18.663 587 2HD LYS 79 1HD LYS 79 -3.378 -2.836 -17.065 588 1HE LYS 79 2HE LYS 79 -1.082 -4.478 -16.748 589 2HE LYS 79 1HE LYS 79 -0.597 -3.114 -17.752 590 1HZ LYS 79 1HZ LYS 79 -2.147 -1.994 -15.806 591 2HZ LYS 79 2HZ LYS 79 -0.450 -1.984 -15.862 592 3HZ LYS 79 3HZ LYS 79 -1.266 -3.179 -14.973 593 H HIS 80 H HIS 80 -4.500 -7.288 -14.531 594 HA HIS 80 HA HIS 80 -2.825 -9.506 -15.625 595 1HB HIS 80 2HB HIS 80 -2.878 -8.451 -12.782 596 2HB HIS 80 1HB HIS 80 -1.683 -9.533 -13.499 597 HD1 HIS 80 HD1 HIS 80 -0.465 -8.403 -15.749 598 HD2 HIS 80 HD2 HIS 80 -2.103 -5.805 -12.930 599 HE1 HIS 80 HE1 HIS 80 0.565 -6.134 -16.184 600 H GLY 81 H GLY 81 -4.864 -9.040 -12.694 601 1HA GLY 81 2HA GLY 81 -6.953 -10.533 -12.674 602 2HA GLY 81 1HA GLY 81 -5.849 -11.835 -13.112 603 H SER 82 H SER 82 -5.290 -13.079 -11.409 604 HA SER 82 HA SER 82 -5.130 -11.795 -8.708 605 1HB SER 82 2HB SER 82 -6.956 -13.604 -9.259 606 2HB SER 82 1HB SER 82 -5.618 -14.737 -9.087 607 HG SER 82 HG SER 82 -6.615 -14.428 -7.092 608 H GLU 83 H GLU 83 -3.767 -14.425 -10.733 609 HA GLU 83 HA GLU 83 -1.645 -15.148 -8.989 610 1HB GLU 83 2HB GLU 83 -2.471 -15.835 -11.604 611 2HB GLU 83 1HB GLU 83 -0.789 -15.324 -11.742 612 1HG GLU 83 2HG GLU 83 -1.656 -17.209 -9.553 613 2HG GLU 83 1HG GLU 83 -1.261 -17.812 -11.162 614 H LEU 84 H LEU 84 -0.308 -13.653 -8.131 615 HA LEU 84 HA LEU 84 1.283 -11.946 -9.980 616 1HB LEU 84 2HB LEU 84 -0.321 -11.012 -7.592 617 2HB LEU 84 1HB LEU 84 1.046 -10.088 -8.213 618 HG LEU 84 HG LEU 84 -0.902 -10.979 -10.257 619 1HD1 LEU 84 1HD1 LEU 84 -1.797 -8.542 -8.865 620 2HD1 LEU 84 2HD1 LEU 84 -2.021 -10.026 -7.937 621 3HD1 LEU 84 3HD1 LEU 84 -2.745 -9.868 -9.538 622 1HD2 LEU 84 1HD2 LEU 84 -0.526 -8.270 -10.496 623 2HD2 LEU 84 2HD2 LEU 84 0.510 -9.487 -11.240 624 3HD2 LEU 84 3HD2 LEU 84 0.966 -8.762 -9.698 625 H ARG 85 H ARG 85 3.177 -10.944 -8.704 626 HA ARG 85 HA ARG 85 4.100 -12.768 -6.518 627 1HB ARG 85 2HB ARG 85 5.353 -12.146 -9.131 628 2HB ARG 85 1HB ARG 85 6.435 -12.060 -7.742 629 1HG ARG 85 2HG ARG 85 6.628 -14.301 -7.961 630 2HG ARG 85 1HG ARG 85 5.013 -14.381 -7.255 631 1HD ARG 85 2HD ARG 85 3.978 -14.467 -9.416 632 2HD ARG 85 1HD ARG 85 5.487 -14.049 -10.227 633 HE ARG 85 HE ARG 85 6.331 -16.313 -9.328 634 1HH1 ARG 85 1HH2 ARG 85 3.678 -16.880 -7.932 635 2HH1 ARG 85 2HH2 ARG 85 2.929 -17.959 -9.063 636 1HH2 ARG 85 2HH1 ARG 85 5.095 -17.157 -11.663 637 2HH2 ARG 85 1HH1 ARG 85 3.735 -18.117 -11.185 638 H LEU 86 H LEU 86 5.735 -11.753 -5.097 639 HA LEU 86 HA LEU 86 5.511 -8.767 -5.100 640 1HB LEU 86 2HB LEU 86 4.599 -10.389 -3.132 641 2HB LEU 86 1HB LEU 86 6.256 -10.155 -2.586 642 HG LEU 86 HG LEU 86 4.792 -7.731 -3.512 643 1HD1 LEU 86 1HD1 LEU 86 4.336 -8.232 -0.677 644 2HD1 LEU 86 2HD1 LEU 86 3.541 -9.437 -1.687 645 3HD1 LEU 86 3HD1 LEU 86 3.194 -7.725 -1.920 646 1HD2 LEU 86 1HD2 LEU 86 7.175 -7.780 -2.679 647 2HD2 LEU 86 2HD2 LEU 86 6.553 -8.251 -1.098 648 3HD2 LEU 86 3HD2 LEU 86 6.125 -6.683 -1.784 649 H ILE 87 H ILE 87 7.379 -7.753 -5.504 650 HA ILE 87 HA ILE 87 9.946 -9.150 -4.853 651 HB ILE 87 HB ILE 87 9.580 -8.946 -7.296 652 1HG1 ILE 87 2HG1 ILE 87 11.676 -6.966 -6.349 653 2HG1 ILE 87 1HG1 ILE 87 11.883 -8.716 -6.296 654 1HG2 ILE 87 1HG2 ILE 87 8.139 -6.853 -7.060 655 2HG2 ILE 87 2HG2 ILE 87 9.309 -6.826 -8.377 656 3HG2 ILE 87 3HG2 ILE 87 9.641 -5.946 -6.886 657 1HD1 ILE 87 1HD1 ILE 87 12.501 -8.726 -8.458 658 2HD1 ILE 87 2HD1 ILE 87 12.341 -6.970 -8.500 659 3HD1 ILE 87 3HD1 ILE 87 10.965 -7.991 -8.914 660 HA PRO 88 HA PRO 88 10.621 -5.581 -2.302 661 1HB PRO 88 2HB PRO 88 13.245 -6.145 -1.672 662 2HB PRO 88 1HB PRO 88 11.862 -6.956 -0.920 663 1HG PRO 88 2HG PRO 88 13.749 -7.992 -2.985 664 2HG PRO 88 1HG PRO 88 12.814 -8.881 -1.771 665 1HD PRO 88 2HD PRO 88 12.163 -8.657 -4.510 666 2HD PRO 88 1HD PRO 88 11.075 -9.224 -3.227 667 H ARG 89 H ARG 89 10.529 -4.701 -4.802 668 HA ARG 89 HA ARG 89 12.675 -2.769 -5.031 669 1HB ARG 89 2HB ARG 89 13.730 -4.860 -5.983 670 2HB ARG 89 1HB ARG 89 12.482 -4.857 -7.228 671 1HG ARG 89 2HG ARG 89 13.822 -3.493 -8.425 672 2HG ARG 89 1HG ARG 89 13.483 -2.241 -7.230 673 1HD ARG 89 2HD ARG 89 15.396 -3.651 -5.913 674 2HD ARG 89 1HD ARG 89 15.908 -3.910 -7.582 675 HE ARG 89 HE ARG 89 15.688 -1.296 -7.719 676 1HH1 ARG 89 2HH1 ARG 89 18.332 -2.309 -6.763 677 2HH1 ARG 89 1HH1 ARG 89 18.551 -1.440 -5.281 678 1HH2 ARG 89 1HH2 ARG 89 15.203 -0.527 -5.027 679 2HH2 ARG 89 2HH2 ARG 89 16.769 -0.427 -4.290 680 H ASP 90 H ASP 90 11.426 -1.028 -5.529 681 HA ASP 90 HA ASP 90 8.925 -1.273 -7.010 682 1HB ASP 90 2HB ASP 90 10.320 0.794 -5.474 683 2HB ASP 90 1HB ASP 90 9.580 1.438 -6.939 684 H ARG 91 H ARG 91 8.971 -1.579 -9.191 685 HA ARG 91 HA ARG 91 10.691 0.183 -10.830 686 1HB ARG 91 2HB ARG 91 11.334 -2.560 -10.296 687 2HB ARG 91 1HB ARG 91 10.916 -2.394 -12.003 688 1HG ARG 91 2HG ARG 91 12.528 -0.613 -12.291 689 2HG ARG 91 1HG ARG 91 12.851 -0.563 -10.558 690 1HD ARG 91 2HD ARG 91 14.546 -1.993 -10.994 691 2HD ARG 91 1HD ARG 91 13.295 -3.219 -11.190 692 HE ARG 91 HE ARG 91 13.306 -2.411 -13.675 693 1HH1 ARG 91 2HH1 ARG 91 15.794 -0.723 -12.594 694 2HH1 ARG 91 1HH1 ARG 91 17.064 -1.602 -13.378 695 1HH2 ARG 91 1HH2 ARG 91 15.031 -4.311 -14.199 696 2HH2 ARG 91 2HH2 ARG 91 16.629 -3.647 -14.296 697 H VAL 92 H VAL 92 10.141 -0.004 -13.177 698 HA VAL 92 HA VAL 92 7.215 -0.230 -13.480 699 HB VAL 92 HB VAL 92 9.338 0.712 -15.434 700 1HG1 VAL 92 1HG1 VAL 92 7.318 1.816 -16.507 701 2HG1 VAL 92 2HG1 VAL 92 6.312 0.813 -15.462 702 3HG1 VAL 92 3HG1 VAL 92 7.375 0.059 -16.651 703 1HG2 VAL 92 1HG2 VAL 92 8.077 2.957 -14.768 704 2HG2 VAL 92 2HG2 VAL 92 9.416 2.350 -13.794 705 3HG2 VAL 92 3HG2 VAL 92 7.752 2.067 -13.281 706 H GLY 93 H GLY 93 10.092 -1.447 -15.260 707 1HA GLY 93 2HA GLY 93 8.432 -3.386 -16.712 708 2HA GLY 93 1HA GLY 93 10.168 -3.157 -16.902 709 H HIS 94 HN HIS 94 11.456 -3.829 -14.828 710 HA HIS 94 HA HIS 94 10.220 -6.215 -13.536 711 1HB HIS 94 2HB HIS 94 12.022 -6.416 -15.656 712 2HB HIS 94 1HB HIS 94 13.033 -6.648 -14.232 713 HD1 HIS 94 HD1 HIS 94 10.322 -8.244 -16.219 714 HD2 HIS 94 HD2 HIS 94 12.286 -8.921 -12.612 715 HE1 HIS 94 HE1 HIS 94 9.736 -10.604 -15.517 Start of MODEL 15 1 1H MET 1 1H MET 1 -19.513 -13.175 -5.882 2 2H MET 1 2H MET 1 -20.827 -14.006 -6.568 3 3H MET 1 3H MET 1 -20.443 -12.437 -7.094 4 HA MET 1 HA MET 1 -19.724 -14.132 -8.688 5 1HB MET 1 2HB MET 1 -18.446 -11.895 -8.041 6 2HB MET 1 1HB MET 1 -17.214 -13.019 -7.475 7 1HG MET 1 2HG MET 1 -16.843 -13.899 -9.624 8 2HG MET 1 1HG MET 1 -18.411 -13.340 -10.226 9 1HE MET 1 1HE MET 1 -16.517 -11.637 -12.556 10 2HE MET 1 2HE MET 1 -16.382 -13.242 -11.840 11 3HE MET 1 3HE MET 1 -15.038 -12.108 -11.709 12 H SER 2 H SER 2 -18.788 -16.103 -9.034 13 HA SER 2 HA SER 2 -17.082 -17.354 -6.967 14 1HB SER 2 2HB SER 2 -19.898 -18.155 -7.542 15 2HB SER 2 1HB SER 2 -18.725 -19.457 -7.358 16 HG SER 2 HG SER 2 -18.924 -19.112 -5.301 17 H GLY 3 H GLY 3 -18.931 -18.105 -9.960 18 1HA GLY 3 2HA GLY 3 -16.380 -19.125 -11.156 19 2HA GLY 3 1HA GLY 3 -17.875 -20.044 -11.323 20 H GLY 4 H GLY 4 -19.502 -19.288 -12.734 21 1HA GLY 4 2HA GLY 4 -18.613 -17.206 -14.671 22 2HA GLY 4 1HA GLY 4 -19.856 -18.423 -14.971 23 H THR 5 H THR 5 -19.193 -15.358 -13.334 24 HA THR 5 HA THR 5 -22.149 -14.945 -13.120 25 HB THR 5 HB THR 5 -20.083 -14.784 -11.015 26 HG1 THR 5 HG1 THR 5 -21.662 -15.987 -10.371 27 1HG2 THR 5 1HG2 THR 5 -20.784 -12.814 -9.927 28 2HG2 THR 5 2HG2 THR 5 -22.222 -12.659 -10.942 29 3HG2 THR 5 3HG2 THR 5 -20.625 -12.327 -11.617 30 H ALA 6 H ALA 6 -22.753 -12.600 -13.065 31 HA ALA 6 HA ALA 6 -21.530 -11.129 -15.223 32 1HB ALA 6 1HB ALA 6 -23.921 -10.937 -14.701 33 2HB ALA 6 2HB ALA 6 -23.156 -9.352 -14.571 34 3HB ALA 6 3HB ALA 6 -23.542 -10.271 -13.115 35 H ALA 7 H ALA 7 -19.765 -9.859 -15.123 36 HA ALA 7 HA ALA 7 -18.503 -9.156 -12.585 37 1HB ALA 7 1HB ALA 7 -17.460 -7.599 -14.757 38 2HB ALA 7 2HB ALA 7 -17.730 -9.241 -15.337 39 3HB ALA 7 3HB ALA 7 -16.697 -8.961 -13.934 40 H THR 8 H THR 8 -19.590 -7.642 -11.377 41 HA THR 8 HA THR 8 -20.938 -5.373 -12.742 42 HB THR 8 HB THR 8 -21.341 -5.051 -10.011 43 HG1 THR 8 HG1 THR 8 -22.027 -7.237 -9.457 44 1HG2 THR 8 1HG2 THR 8 -23.068 -4.801 -11.668 45 2HG2 THR 8 2HG2 THR 8 -23.592 -6.040 -10.531 46 3HG2 THR 8 3HG2 THR 8 -22.962 -6.503 -12.112 47 H THR 9 H THR 9 -20.671 -3.167 -11.911 48 HA THR 9 HA THR 9 -17.858 -2.618 -11.060 49 HB THR 9 HB THR 9 -19.854 -0.674 -12.252 50 HG1 THR 9 HG1 THR 9 -17.934 -2.360 -13.477 51 1HG2 THR 9 1HG2 THR 9 -16.856 -0.652 -11.848 52 2HG2 THR 9 2HG2 THR 9 -18.041 0.456 -11.158 53 3HG2 THR 9 3HG2 THR 9 -17.698 0.497 -12.887 54 H ALA 10 H ALA 10 -20.914 -2.858 -9.724 55 HA ALA 10 HA ALA 10 -20.394 -0.700 -7.722 56 1HB ALA 10 1HB ALA 10 -22.993 -2.119 -8.389 57 2HB ALA 10 2HB ALA 10 -22.550 -0.499 -8.922 58 3HB ALA 10 3HB ALA 10 -22.801 -0.825 -7.207 59 H GLY 11 H GLY 11 -21.867 -3.987 -7.875 60 1HA GLY 11 2HA GLY 11 -20.827 -4.445 -5.107 61 2HA GLY 11 1HA GLY 11 -22.226 -5.268 -5.793 62 H SER 12 H SER 12 -18.754 -4.809 -6.603 63 HA SER 12 HA SER 12 -18.429 -7.740 -6.809 64 1HB SER 12 2HB SER 12 -18.754 -6.041 -9.130 65 2HB SER 12 1HB SER 12 -17.146 -6.758 -9.125 66 HG SER 12 HG SER 12 -18.128 -8.486 -9.795 67 H LYS 13 H LYS 13 -16.427 -8.305 -6.066 68 HA LYS 13 HA LYS 13 -14.395 -6.121 -5.787 69 1HB LYS 13 2HB LYS 13 -15.026 -8.484 -4.001 70 2HB LYS 13 1HB LYS 13 -13.548 -7.539 -3.840 71 1HG LYS 13 2HG LYS 13 -14.631 -5.829 -2.824 72 2HG LYS 13 1HG LYS 13 -15.947 -5.857 -3.998 73 1HD LYS 13 2HD LYS 13 -16.483 -8.152 -2.661 74 2HD LYS 13 1HD LYS 13 -15.725 -7.223 -1.367 75 1HE LYS 13 2HE LYS 13 -17.455 -5.745 -1.240 76 2HE LYS 13 1HE LYS 13 -17.683 -5.713 -2.990 77 1HZ LYS 13 1HZ LYS 13 -18.575 -8.080 -2.657 78 2HZ LYS 13 2HZ LYS 13 -19.569 -6.775 -2.217 79 3HZ LYS 13 3HZ LYS 13 -18.732 -7.646 -1.024 80 H VAL 14 H VAL 14 -12.170 -6.725 -6.060 81 HA VAL 14 HA VAL 14 -11.789 -9.171 -7.739 82 HB VAL 14 HB VAL 14 -9.750 -7.951 -8.614 83 1HG1 VAL 14 1HG1 VAL 14 -11.531 -6.015 -9.547 84 2HG1 VAL 14 2HG1 VAL 14 -12.567 -7.374 -9.109 85 3HG1 VAL 14 3HG1 VAL 14 -11.253 -7.603 -10.261 86 1HG2 VAL 14 1HG2 VAL 14 -11.020 -5.569 -7.223 87 2HG2 VAL 14 2HG2 VAL 14 -9.568 -5.553 -8.221 88 3HG2 VAL 14 3HG2 VAL 14 -9.557 -6.380 -6.666 89 H THR 15 H THR 15 -10.448 -10.730 -6.952 90 HA THR 15 HA THR 15 -8.986 -10.152 -4.424 91 HB THR 15 HB THR 15 -10.571 -12.090 -4.489 92 HG1 THR 15 HG1 THR 15 -9.185 -12.602 -3.005 93 1HG2 THR 15 1HG2 THR 15 -10.368 -12.889 -6.728 94 2HG2 THR 15 2HG2 THR 15 -9.676 -14.150 -5.709 95 3HG2 THR 15 3HG2 THR 15 -8.619 -13.049 -6.590 96 H PHE 16 H PHE 16 -6.752 -10.750 -4.197 97 HA PHE 16 HA PHE 16 -5.311 -11.275 -6.764 98 1HB PHE 16 2HB PHE 16 -4.427 -9.305 -4.639 99 2HB PHE 16 1HB PHE 16 -3.600 -9.646 -6.155 100 HD1 PHE 16 HD1 PHE 16 -5.986 -7.548 -4.551 101 HD2 PHE 16 HD2 PHE 16 -5.023 -9.324 -8.341 102 HE1 PHE 16 HE1 PHE 16 -7.374 -5.847 -5.702 103 HE2 PHE 16 HE2 PHE 16 -6.411 -7.623 -9.492 104 HZ PHE 16 HZ PHE 16 -7.586 -5.885 -8.172 105 H LYS 17 H LYS 17 -3.743 -12.797 -6.605 106 HA LYS 17 HA LYS 17 -3.071 -13.846 -3.886 107 1HB LYS 17 2HB LYS 17 -4.224 -15.398 -5.549 108 2HB LYS 17 1HB LYS 17 -2.762 -15.300 -6.529 109 1HG LYS 17 2HG LYS 17 -1.872 -15.834 -3.910 110 2HG LYS 17 1HG LYS 17 -3.260 -16.892 -4.160 111 1HD LYS 17 2HD LYS 17 -1.971 -18.255 -5.398 112 2HD LYS 17 1HD LYS 17 -1.741 -16.949 -6.562 113 1HE LYS 17 2HE LYS 17 -0.077 -16.398 -4.309 114 2HE LYS 17 1HE LYS 17 0.183 -18.080 -4.767 115 1HZ LYS 17 1HZ LYS 17 0.772 -17.467 -6.934 116 2HZ LYS 17 2HZ LYS 17 1.581 -16.354 -5.937 117 3HZ LYS 17 3HZ LYS 17 0.170 -15.891 -6.759 118 H ILE 18 H ILE 18 -1.184 -12.837 -3.308 119 HA ILE 18 HA ILE 18 0.984 -12.652 -5.364 120 HB ILE 18 HB ILE 18 0.698 -11.024 -2.822 121 1HG1 ILE 18 2HG1 ILE 18 0.314 -9.391 -5.088 122 2HG1 ILE 18 1HG1 ILE 18 -0.691 -10.813 -5.364 123 1HG2 ILE 18 1HG2 ILE 18 2.859 -10.600 -3.343 124 2HG2 ILE 18 2HG2 ILE 18 2.196 -9.599 -4.632 125 3HG2 ILE 18 3HG2 ILE 18 2.697 -11.257 -4.969 126 1HD1 ILE 18 1HD1 ILE 18 -1.602 -10.521 -3.028 127 2HD1 ILE 18 2HD1 ILE 18 -2.016 -9.211 -4.132 128 3HD1 ILE 18 3HD1 ILE 18 -0.731 -8.990 -2.945 129 H THR 19 H THR 19 2.808 -13.824 -5.008 130 HA THR 19 HA THR 19 3.248 -14.961 -2.272 131 HB THR 19 HB THR 19 2.613 -16.645 -4.031 132 HG1 THR 19 HG1 THR 19 3.772 -17.822 -2.766 133 1HG2 THR 19 1HG2 THR 19 3.721 -15.499 -5.938 134 2HG2 THR 19 2HG2 THR 19 4.236 -17.178 -5.784 135 3HG2 THR 19 3HG2 THR 19 5.292 -15.879 -5.232 136 H LEU 20 H LEU 20 5.501 -15.157 -1.602 137 HA LEU 20 HA LEU 20 7.134 -12.909 -2.317 138 1HB LEU 20 2HB LEU 20 7.137 -14.428 -0.161 139 2HB LEU 20 1HB LEU 20 8.320 -15.372 -1.067 140 HG LEU 20 HG LEU 20 9.701 -13.349 -1.381 141 1HD1 LEU 20 1HD1 LEU 20 8.937 -11.408 0.264 142 2HD1 LEU 20 2HD1 LEU 20 7.339 -12.086 -0.042 143 3HD1 LEU 20 3HD1 LEU 20 8.314 -11.489 -1.383 144 1HD2 LEU 20 1HD2 LEU 20 9.767 -14.865 0.734 145 2HD2 LEU 20 2HD2 LEU 20 9.014 -13.497 1.553 146 3HD2 LEU 20 3HD2 LEU 20 10.597 -13.312 0.800 147 H THR 21 H THR 21 8.745 -12.691 -3.823 148 HA THR 21 HA THR 21 9.236 -15.014 -5.633 149 HB THR 21 HB THR 21 10.032 -12.169 -6.234 150 HG1 THR 21 HG1 THR 21 8.035 -11.655 -6.654 151 1HG2 THR 21 1HG2 THR 21 10.387 -12.957 -8.331 152 2HG2 THR 21 2HG2 THR 21 8.920 -13.935 -8.309 153 3HG2 THR 21 3HG2 THR 21 10.397 -14.545 -7.567 154 H SER 22 H SER 22 11.009 -12.312 -4.073 155 HA SER 22 HA SER 22 13.629 -13.126 -4.751 156 1HB SER 22 2HB SER 22 12.425 -11.234 -2.956 157 2HB SER 22 1HB SER 22 13.714 -12.079 -2.106 158 HG SER 22 HG SER 22 14.047 -10.120 -3.704 159 H ASP 23 H ASP 23 11.812 -13.900 -1.752 160 HA ASP 23 HA ASP 23 13.742 -16.132 -1.267 161 1HB ASP 23 2HB ASP 23 12.278 -14.257 0.482 162 2HB ASP 23 1HB ASP 23 12.245 -15.933 1.025 163 HA PRO 24 HA PRO 24 10.450 -18.996 -2.030 164 1HB PRO 24 2HB PRO 24 11.608 -21.181 -0.817 165 2HB PRO 24 1HB PRO 24 12.096 -20.576 -2.410 166 1HG PRO 24 2HG PRO 24 13.506 -20.325 0.206 167 2HG PRO 24 1HG PRO 24 14.175 -20.321 -1.435 168 1HD PRO 24 2HD PRO 24 13.748 -18.040 0.187 169 2HD PRO 24 1HD PRO 24 14.100 -18.034 -1.554 170 H LYS 25 H LYS 25 11.581 -18.096 1.126 171 HA LYS 25 HA LYS 25 9.767 -19.667 2.745 172 1HB LYS 25 2HB LYS 25 11.815 -17.633 3.147 173 2HB LYS 25 1HB LYS 25 10.413 -17.339 4.172 174 1HG LYS 25 2HG LYS 25 10.574 -19.877 4.735 175 2HG LYS 25 1HG LYS 25 12.213 -19.756 4.093 176 1HD LYS 25 2HD LYS 25 12.917 -18.315 5.779 177 2HD LYS 25 1HD LYS 25 11.287 -17.720 6.095 178 1HE LYS 25 2HE LYS 25 10.681 -19.911 7.069 179 2HE LYS 25 1HE LYS 25 12.321 -20.488 6.773 180 1HZ LYS 25 1HZ LYS 25 12.811 -18.229 8.105 181 2HZ LYS 25 2HZ LYS 25 12.650 -19.747 8.850 182 3HZ LYS 25 3HZ LYS 25 11.332 -18.679 8.810 183 H LEU 26 H LEU 26 8.166 -18.478 4.223 184 HA LEU 26 HA LEU 26 6.198 -17.277 4.516 185 1HB LEU 26 2HB LEU 26 7.910 -15.462 2.948 186 2HB LEU 26 1HB LEU 26 6.183 -15.143 2.794 187 HG LEU 26 HG LEU 26 6.480 -15.621 5.506 188 1HD1 LEU 26 1HD1 LEU 26 8.569 -15.123 6.178 189 2HD1 LEU 26 2HD1 LEU 26 8.505 -13.582 5.324 190 3HD1 LEU 26 3HD1 LEU 26 9.062 -15.032 4.488 191 1HD2 LEU 26 1HD2 LEU 26 5.671 -13.472 5.698 192 2HD2 LEU 26 2HD2 LEU 26 5.387 -13.712 3.974 193 3HD2 LEU 26 3HD2 LEU 26 6.811 -12.824 4.518 194 HA PRO 27 HA PRO 27 3.800 -19.106 1.242 195 1HB PRO 27 2HB PRO 27 1.392 -18.849 2.550 196 2HB PRO 27 1HB PRO 27 2.563 -20.134 2.890 197 1HG PRO 27 2HG PRO 27 1.945 -17.683 4.481 198 2HG PRO 27 1HG PRO 27 2.541 -19.259 5.032 199 1HD PRO 27 2HD PRO 27 4.114 -16.945 4.707 200 2HD PRO 27 1HD PRO 27 4.733 -18.604 4.852 201 H PHE 28 H PHE 28 1.912 -18.404 -0.115 202 HA PHE 28 HA PHE 28 2.103 -15.621 -0.853 203 1HB PHE 28 2HB PHE 28 0.377 -16.138 -2.510 204 2HB PHE 28 1HB PHE 28 1.584 -17.420 -2.484 205 HD1 PHE 28 HD1 PHE 28 -1.865 -16.491 -1.518 206 HD2 PHE 28 HD2 PHE 28 1.046 -19.648 -1.673 207 HE1 PHE 28 HE1 PHE 28 -3.639 -18.153 -1.033 208 HE2 PHE 28 HE2 PHE 28 -0.730 -21.308 -1.187 209 HZ PHE 28 HZ PHE 28 -3.072 -20.561 -0.868 210 H LYS 29 H LYS 29 0.299 -14.077 -0.886 211 HA LYS 29 HA LYS 29 -1.600 -14.471 1.397 212 1HB LYS 29 2HB LYS 29 0.195 -12.212 0.678 213 2HB LYS 29 1HB LYS 29 -1.424 -11.772 1.224 214 1HG LYS 29 2HG LYS 29 -0.448 -11.931 3.290 215 2HG LYS 29 1HG LYS 29 -0.820 -13.642 3.083 216 1HD LYS 29 2HD LYS 29 1.475 -13.877 1.992 217 2HD LYS 29 1HD LYS 29 1.817 -12.247 2.574 218 1HE LYS 29 2HE LYS 29 1.652 -12.894 4.842 219 2HE LYS 29 1HE LYS 29 0.810 -14.391 4.443 220 1HZ LYS 29 1HZ LYS 29 2.732 -15.440 4.236 221 2HZ LYS 29 2HZ LYS 29 3.520 -14.053 4.814 222 3HZ LYS 29 3HZ LYS 29 3.330 -14.289 3.144 223 H VAL 30 H VAL 30 -3.742 -14.086 0.956 224 HA VAL 30 HA VAL 30 -4.426 -13.270 -1.831 225 HB VAL 30 HB VAL 30 -6.161 -14.597 0.283 226 1HG1 VAL 30 1HG1 VAL 30 -7.627 -13.503 -1.211 227 2HG1 VAL 30 2HG1 VAL 30 -7.503 -15.130 -1.879 228 3HG1 VAL 30 3HG1 VAL 30 -6.584 -13.809 -2.599 229 1HG2 VAL 30 1HG2 VAL 30 -5.886 -16.605 -1.225 230 2HG2 VAL 30 2HG2 VAL 30 -4.405 -16.122 -0.402 231 3HG2 VAL 30 3HG2 VAL 30 -4.644 -15.709 -2.099 232 H LEU 31 H LEU 31 -5.208 -11.238 -2.142 233 HA LEU 31 HA LEU 31 -6.292 -9.770 0.232 234 1HB LEU 31 2HB LEU 31 -4.345 -9.053 -1.802 235 2HB LEU 31 1HB LEU 31 -5.680 -7.901 -1.775 236 HG LEU 31 HG LEU 31 -4.872 -8.617 0.923 237 1HD1 LEU 31 1HD1 LEU 31 -2.688 -7.181 0.616 238 2HD1 LEU 31 2HD1 LEU 31 -2.767 -7.768 -1.044 239 3HD1 LEU 31 3HD1 LEU 31 -2.646 -8.913 0.292 240 1HD2 LEU 31 1HD2 LEU 31 -4.483 -5.903 -0.274 241 2HD2 LEU 31 2HD2 LEU 31 -5.199 -6.353 1.273 242 3HD2 LEU 31 3HD2 LEU 31 -6.123 -6.548 -0.217 243 H SER 32 H SER 32 -8.482 -9.723 0.132 244 HA SER 32 HA SER 32 -9.808 -9.574 -2.536 245 1HB SER 32 2HB SER 32 -11.895 -10.110 -1.182 246 2HB SER 32 1HB SER 32 -10.677 -11.381 -1.214 247 HG SER 32 HG SER 32 -11.539 -10.873 0.904 248 H VAL 33 H VAL 33 -10.176 -7.511 -3.164 249 HA VAL 33 HA VAL 33 -11.432 -5.628 -1.231 250 HB VAL 33 HB VAL 33 -9.952 -3.786 -2.147 251 1HG1 VAL 33 1HG1 VAL 33 -8.146 -4.245 -0.632 252 2HG1 VAL 33 2HG1 VAL 33 -8.407 -5.985 -0.754 253 3HG1 VAL 33 3HG1 VAL 33 -9.596 -4.970 0.063 254 1HG2 VAL 33 1HG2 VAL 33 -9.110 -4.769 -4.165 255 2HG2 VAL 33 2HG2 VAL 33 -8.520 -6.192 -3.306 256 3HG2 VAL 33 3HG2 VAL 33 -7.731 -4.632 -3.075 257 HA PRO 34 HA PRO 34 -13.971 -4.638 -4.676 258 1HB PRO 34 2HB PRO 34 -14.607 -2.024 -4.092 259 2HB PRO 34 1HB PRO 34 -15.300 -3.420 -3.248 260 1HG PRO 34 2HG PRO 34 -13.201 -1.510 -2.315 261 2HG PRO 34 1HG PRO 34 -14.375 -2.439 -1.367 262 1HD PRO 34 2HD PRO 34 -11.655 -3.092 -1.677 263 2HD PRO 34 1HD PRO 34 -12.921 -4.196 -1.098 264 H GLU 35 H GLU 35 -14.079 -3.316 -6.647 265 HA GLU 35 HA GLU 35 -11.558 -2.716 -7.808 266 1HB GLU 35 2HB GLU 35 -12.783 -1.824 -9.688 267 2HB GLU 35 1HB GLU 35 -13.675 -3.213 -9.074 268 1HG GLU 35 2HG GLU 35 -14.384 -0.546 -7.937 269 2HG GLU 35 1HG GLU 35 -14.868 -0.860 -9.600 270 H SER 36 H SER 36 -13.682 -0.713 -5.867 271 HA SER 36 HA SER 36 -12.675 1.861 -6.626 272 1HB SER 36 2HB SER 36 -14.134 0.748 -4.266 273 2HB SER 36 1HB SER 36 -13.370 2.324 -4.090 274 HG SER 36 HG SER 36 -15.598 2.274 -4.925 275 H THR 37 H THR 37 -11.567 -0.532 -4.226 276 HA THR 37 HA THR 37 -9.556 1.114 -3.008 277 HB THR 37 HB THR 37 -9.658 -1.906 -3.319 278 HG1 THR 37 HG1 THR 37 -10.234 -1.354 -0.922 279 1HG2 THR 37 1HG2 THR 37 -7.404 -1.273 -2.767 280 2HG2 THR 37 2HG2 THR 37 -8.161 -1.816 -1.270 281 3HG2 THR 37 3HG2 THR 37 -7.962 -0.092 -1.582 282 HA PRO 38 HA PRO 38 -6.774 1.178 -6.481 283 1HB PRO 38 2HB PRO 38 -4.872 2.731 -5.248 284 2HB PRO 38 1HB PRO 38 -6.368 3.378 -5.945 285 1HG PRO 38 2HG PRO 38 -5.655 2.971 -3.079 286 2HG PRO 38 1HG PRO 38 -6.784 4.129 -3.800 287 1HD PRO 38 2HD PRO 38 -7.488 1.716 -2.499 288 2HD PRO 38 1HD PRO 38 -8.561 2.716 -3.501 289 H PHE 39 H PHE 39 -4.525 0.486 -6.929 290 HA PHE 39 HA PHE 39 -3.766 -1.897 -5.514 291 1HB PHE 39 2HB PHE 39 -3.239 -1.127 -7.977 292 2HB PHE 39 1HB PHE 39 -1.819 -0.390 -7.237 293 HD1 PHE 39 HD1 PHE 39 -3.718 -3.622 -6.899 294 HD2 PHE 39 HD2 PHE 39 0.103 -1.700 -7.296 295 HE1 PHE 39 HE1 PHE 39 -2.600 -5.834 -6.841 296 HE2 PHE 39 HE2 PHE 39 1.220 -3.913 -7.240 297 HZ PHE 39 HZ PHE 39 -0.131 -5.979 -7.011 298 H THR 40 H THR 40 -3.074 1.456 -4.945 299 HA THR 40 HA THR 40 -0.545 1.252 -3.631 300 HB THR 40 HB THR 40 -1.348 3.322 -2.368 301 HG1 THR 40 HG1 THR 40 -3.347 3.988 -2.650 302 1HG2 THR 40 1HG2 THR 40 -1.606 4.668 -4.550 303 2HG2 THR 40 2HG2 THR 40 -1.430 3.119 -5.375 304 3HG2 THR 40 3HG2 THR 40 -0.128 3.725 -4.353 305 H ALA 41 H ALA 41 -3.883 0.920 -2.416 306 HA ALA 41 HA ALA 41 -3.036 0.311 0.307 307 1HB ALA 41 1HB ALA 41 -5.728 -0.487 -0.739 308 2HB ALA 41 2HB ALA 41 -5.347 1.232 -0.629 309 3HB ALA 41 3HB ALA 41 -5.297 0.222 0.816 310 H VAL 42 H VAL 42 -3.997 -1.571 -2.561 311 HA VAL 42 HA VAL 42 -4.133 -4.140 -1.299 312 HB VAL 42 HB VAL 42 -3.328 -3.439 -4.146 313 1HG1 VAL 42 1HG1 VAL 42 -3.245 -5.919 -2.782 314 2HG1 VAL 42 2HG1 VAL 42 -3.095 -5.648 -4.518 315 3HG1 VAL 42 3HG1 VAL 42 -4.677 -5.970 -3.809 316 1HG2 VAL 42 1HG2 VAL 42 -5.493 -2.689 -4.132 317 2HG2 VAL 42 2HG2 VAL 42 -5.912 -3.617 -2.693 318 3HG2 VAL 42 3HG2 VAL 42 -5.869 -4.407 -4.269 319 H LEU 43 H LEU 43 -1.432 -2.571 -3.056 320 HA LEU 43 HA LEU 43 0.531 -4.578 -2.490 321 1HB LEU 43 2HB LEU 43 0.662 -2.634 -4.181 322 2HB LEU 43 1HB LEU 43 1.132 -1.627 -2.811 323 HG LEU 43 HG LEU 43 2.635 -4.130 -2.885 324 1HD1 LEU 43 1HD1 LEU 43 2.259 -3.818 -5.337 325 2HD1 LEU 43 2HD1 LEU 43 3.954 -3.643 -4.882 326 3HD1 LEU 43 3HD1 LEU 43 2.976 -2.213 -5.213 327 1HD2 LEU 43 1HD2 LEU 43 3.036 -1.848 -1.672 328 2HD2 LEU 43 2HD2 LEU 43 3.727 -1.339 -3.213 329 3HD2 LEU 43 3HD2 LEU 43 4.425 -2.702 -2.341 330 H LYS 44 H LYS 44 -0.573 -1.722 -0.697 331 HA LYS 44 HA LYS 44 1.454 -1.645 1.307 332 1HB LYS 44 2HB LYS 44 -0.364 0.088 0.866 333 2HB LYS 44 1HB LYS 44 -1.469 -0.970 1.742 334 1HG LYS 44 2HG LYS 44 -0.770 0.149 3.585 335 2HG LYS 44 1HG LYS 44 0.686 -0.840 3.456 336 1HD LYS 44 2HD LYS 44 1.281 1.118 1.671 337 2HD LYS 44 1HD LYS 44 0.282 2.025 2.804 338 1HE LYS 44 2HE LYS 44 1.955 0.485 4.439 339 2HE LYS 44 1HE LYS 44 2.999 1.035 3.129 340 1HZ LYS 44 1HZ LYS 44 1.199 2.843 4.642 341 2HZ LYS 44 2HZ LYS 44 2.438 3.279 3.562 342 3HZ LYS 44 3HZ LYS 44 2.821 2.579 5.061 343 H PHE 45 H PHE 45 -1.763 -3.238 1.393 344 HA PHE 45 HA PHE 45 -1.379 -4.513 3.933 345 1HB PHE 45 2HB PHE 45 -3.539 -4.183 2.429 346 2HB PHE 45 1HB PHE 45 -3.091 -5.774 1.820 347 HD1 PHE 45 HD1 PHE 45 -3.262 -4.022 5.148 348 HD2 PHE 45 HD2 PHE 45 -4.070 -7.584 2.891 349 HE1 PHE 45 HE1 PHE 45 -4.258 -5.073 7.162 350 HE2 PHE 45 HE2 PHE 45 -5.063 -8.635 4.905 351 HZ PHE 45 HZ PHE 45 -5.159 -7.380 7.041 352 H ALA 46 H ALA 46 -0.827 -5.664 0.595 353 HA ALA 46 HA ALA 46 -0.081 -8.339 1.242 354 1HB ALA 46 1HB ALA 46 -0.504 -7.821 -1.055 355 2HB ALA 46 2HB ALA 46 1.214 -8.205 -0.957 356 3HB ALA 46 3HB ALA 46 0.691 -6.524 -1.056 357 H ALA 47 H ALA 47 1.942 -5.403 0.884 358 HA ALA 47 HA ALA 47 4.443 -6.694 1.427 359 1HB ALA 47 1HB ALA 47 5.196 -4.638 0.917 360 2HB ALA 47 2HB ALA 47 4.480 -3.990 2.392 361 3HB ALA 47 3HB ALA 47 3.537 -4.047 0.904 362 H GLU 48 H GLU 48 2.083 -5.086 3.572 363 HA GLU 48 HA GLU 48 3.602 -5.254 5.981 364 1HB GLU 48 2HB GLU 48 0.824 -4.707 5.235 365 2HB GLU 48 1HB GLU 48 0.951 -5.562 6.771 366 1HG GLU 48 2HG GLU 48 1.179 -3.369 7.496 367 2HG GLU 48 1HG GLU 48 2.870 -3.796 7.233 368 H GLU 49 H GLU 49 1.368 -7.573 4.452 369 HA GLU 49 HA GLU 49 1.500 -9.520 6.586 370 1HB GLU 49 2HB GLU 49 0.763 -9.781 3.655 371 2HB GLU 49 1HB GLU 49 0.607 -11.091 4.826 372 1HG GLU 49 2HG GLU 49 -1.013 -9.892 6.105 373 2HG GLU 49 1HG GLU 49 -0.672 -8.384 5.258 374 H PHE 50 H PHE 50 3.415 -8.924 3.665 375 HA PHE 50 HA PHE 50 4.991 -11.379 3.982 376 1HB PHE 50 2HB PHE 50 4.923 -9.084 2.072 377 2HB PHE 50 1HB PHE 50 6.433 -9.981 2.213 378 HD1 PHE 50 HD1 PHE 50 6.208 -12.609 2.166 379 HD2 PHE 50 HD2 PHE 50 3.248 -9.893 0.651 380 HE1 PHE 50 HE1 PHE 50 5.263 -14.421 0.763 381 HE2 PHE 50 HE2 PHE 50 2.302 -11.705 -0.752 382 HZ PHE 50 HZ PHE 50 3.310 -13.969 -0.695 383 H LYS 51 H LYS 51 4.965 -8.498 5.661 384 HA LYS 51 HA LYS 51 6.440 -7.573 7.206 385 1HB LYS 51 2HB LYS 51 7.171 -10.287 7.037 386 2HB LYS 51 1HB LYS 51 8.686 -9.395 6.908 387 1HG LYS 51 2HG LYS 51 8.645 -9.003 9.126 388 2HG LYS 51 1HG LYS 51 7.115 -8.144 8.943 389 1HD LYS 51 2HD LYS 51 6.381 -9.813 10.339 390 2HD LYS 51 1HD LYS 51 6.191 -10.674 8.813 391 1HE LYS 51 2HE LYS 51 8.826 -11.168 9.377 392 2HE LYS 51 1HE LYS 51 8.132 -11.112 10.997 393 1HZ LYS 51 1HZ LYS 51 7.588 -13.225 10.574 394 2HZ LYS 51 2HZ LYS 51 7.753 -13.052 8.893 395 3HZ LYS 51 3HZ LYS 51 6.314 -12.576 9.663 396 H VAL 52 H VAL 52 6.488 -6.736 4.438 397 HA VAL 52 HA VAL 52 9.296 -5.714 4.278 398 HB VAL 52 HB VAL 52 8.991 -5.693 1.756 399 1HG1 VAL 52 1HG1 VAL 52 10.318 -7.420 2.986 400 2HG1 VAL 52 2HG1 VAL 52 9.609 -8.024 1.488 401 3HG1 VAL 52 3HG1 VAL 52 8.877 -8.435 3.039 402 1HG2 VAL 52 1HG2 VAL 52 6.384 -6.167 2.222 403 2HG2 VAL 52 2HG2 VAL 52 6.932 -7.832 2.042 404 3HG2 VAL 52 3HG2 VAL 52 7.178 -6.677 0.734 405 HA PRO 53 HA PRO 53 7.338 -1.776 4.139 406 1HB PRO 53 2HB PRO 53 9.263 -0.335 2.804 407 2HB PRO 53 1HB PRO 53 9.373 -0.815 4.504 408 1HG PRO 53 2HG PRO 53 10.784 -1.956 2.133 409 2HG PRO 53 1HG PRO 53 11.302 -1.905 3.826 410 1HD PRO 53 2HD PRO 53 10.236 -4.162 2.517 411 2HD PRO 53 1HD PRO 53 10.377 -3.960 4.277 412 H ALA 54 H ALA 54 5.630 -1.389 2.875 413 HA ALA 54 HA ALA 54 5.388 -2.072 0.103 414 1HB ALA 54 1HB ALA 54 3.790 -0.389 2.013 415 2HB ALA 54 2HB ALA 54 3.335 -1.888 1.203 416 3HB ALA 54 3HB ALA 54 3.389 -0.377 0.296 417 H ALA 55 H ALA 55 6.461 0.871 1.727 418 HA ALA 55 HA ALA 55 6.255 2.707 -0.434 419 1HB ALA 55 1HB ALA 55 8.361 2.582 1.749 420 2HB ALA 55 2HB ALA 55 6.802 3.397 1.872 421 3HB ALA 55 3HB ALA 55 8.017 3.985 0.737 422 H THR 56 H THR 56 8.816 0.359 0.379 423 HA THR 56 HA THR 56 10.093 0.994 -2.254 424 HB THR 56 HB THR 56 11.525 -0.418 -0.005 425 HG1 THR 56 HG1 THR 56 11.374 1.361 1.083 426 1HG2 THR 56 1HG2 THR 56 12.699 -0.491 -2.066 427 2HG2 THR 56 2HG2 THR 56 13.450 0.821 -1.163 428 3HG2 THR 56 3HG2 THR 56 12.297 1.183 -2.446 429 H SER 57 H SER 57 7.899 -0.722 -2.242 430 HA SER 57 HA SER 57 9.207 -3.322 -2.898 431 1HB SER 57 2HB SER 57 7.875 -3.271 -0.653 432 2HB SER 57 1HB SER 57 6.452 -3.268 -1.688 433 HG SER 57 HG SER 57 7.419 -5.376 -0.987 434 H ALA 58 H ALA 58 7.980 -4.594 -4.465 435 HA ALA 58 HA ALA 58 5.900 -3.105 -5.987 436 1HB ALA 58 1HB ALA 58 7.808 -2.500 -7.249 437 2HB ALA 58 2HB ALA 58 7.157 -3.893 -8.111 438 3HB ALA 58 3HB ALA 58 8.550 -4.087 -7.048 439 H ILE 59 H ILE 59 4.785 -4.566 -7.576 440 HA ILE 59 HA ILE 59 4.970 -7.443 -6.775 441 HB ILE 59 HB ILE 59 2.546 -5.660 -6.995 442 1HG1 ILE 59 2HG1 ILE 59 3.224 -7.856 -5.020 443 2HG1 ILE 59 1HG1 ILE 59 3.753 -6.188 -4.808 444 1HG2 ILE 59 1HG2 ILE 59 1.105 -7.390 -7.495 445 2HG2 ILE 59 2HG2 ILE 59 2.163 -8.615 -6.799 446 3HG2 ILE 59 3HG2 ILE 59 2.509 -7.954 -8.395 447 1HD1 ILE 59 1HD1 ILE 59 1.733 -6.276 -3.596 448 2HD1 ILE 59 2HD1 ILE 59 0.944 -7.282 -4.810 449 3HD1 ILE 59 3HD1 ILE 59 1.249 -5.577 -5.141 450 H ILE 60 H ILE 60 5.477 -8.649 -8.536 451 HA ILE 60 HA ILE 60 4.894 -7.541 -11.235 452 HB ILE 60 HB ILE 60 6.464 -9.268 -12.064 453 1HG1 ILE 60 2HG1 ILE 60 7.582 -10.012 -9.488 454 2HG1 ILE 60 1HG1 ILE 60 5.891 -10.501 -9.595 455 1HG2 ILE 60 1HG2 ILE 60 8.071 -8.158 -9.865 456 2HG2 ILE 60 2HG2 ILE 60 7.077 -6.960 -10.691 457 3HG2 ILE 60 3HG2 ILE 60 8.233 -7.929 -11.605 458 1HD1 ILE 60 1HD1 ILE 60 8.224 -11.373 -11.254 459 2HD1 ILE 60 2HD1 ILE 60 6.634 -11.316 -12.013 460 3HD1 ILE 60 3HD1 ILE 60 6.898 -12.331 -10.596 461 H THR 61 H THR 61 4.261 -9.301 -12.910 462 HA THR 61 HA THR 61 2.065 -10.930 -11.711 463 HB THR 61 HB THR 61 2.440 -10.155 -14.621 464 HG1 THR 61 HG1 THR 61 2.048 -8.258 -13.712 465 1HG2 THR 61 1HG2 THR 61 0.868 -11.826 -14.717 466 2HG2 THR 61 2HG2 THR 61 -0.206 -10.498 -14.281 467 3HG2 THR 61 3HG2 THR 61 0.375 -11.605 -13.039 468 H ASN 62 H ASN 62 1.676 -13.091 -12.677 469 HA ASN 62 HA ASN 62 3.949 -14.773 -12.663 470 1HB ASN 62 2HB ASN 62 1.361 -15.295 -12.502 471 2HB ASN 62 1HB ASN 62 1.522 -15.564 -14.237 472 1HD2 ASN 62 1HD2 ASN 62 2.557 -17.498 -14.929 473 2HD2 ASN 62 2HD2 ASN 62 3.200 -18.647 -13.859 474 H ASP 63 H ASP 63 2.539 -12.964 -15.330 475 HA ASP 63 HA ASP 63 3.934 -14.477 -17.406 476 1HB ASP 63 2HB ASP 63 2.533 -11.786 -17.472 477 2HB ASP 63 1HB ASP 63 3.172 -12.613 -18.891 478 H GLY 64 H GLY 64 4.399 -11.317 -15.798 479 1HA GLY 64 2HA GLY 64 6.951 -10.999 -15.336 480 2HA GLY 64 1HA GLY 64 7.083 -11.114 -17.091 481 H VAL 65 H VAL 65 4.754 -9.420 -14.959 482 HA VAL 65 HA VAL 65 5.490 -6.875 -16.354 483 HB VAL 65 HB VAL 65 2.723 -7.662 -15.383 484 1HG1 VAL 65 1HG1 VAL 65 2.836 -5.311 -15.338 485 2HG1 VAL 65 2HG1 VAL 65 2.183 -5.649 -16.941 486 3HG1 VAL 65 3HG1 VAL 65 3.889 -5.243 -16.751 487 1HG2 VAL 65 1HG2 VAL 65 2.478 -8.765 -17.334 488 2HG2 VAL 65 2HG2 VAL 65 4.133 -8.364 -17.794 489 3HG2 VAL 65 3HG2 VAL 65 2.815 -7.265 -18.199 490 H GLY 66 H GLY 66 6.404 -5.518 -14.904 491 1HA GLY 66 2HA GLY 66 6.237 -5.928 -12.047 492 2HA GLY 66 1HA GLY 66 7.027 -4.570 -12.849 493 H VAL 67 H VAL 67 3.963 -5.780 -11.629 494 HA VAL 67 HA VAL 67 2.392 -3.447 -12.295 495 HB VAL 67 HB VAL 67 1.877 -5.364 -10.004 496 1HG1 VAL 67 1HG1 VAL 67 -0.528 -4.768 -11.072 497 2HG1 VAL 67 2HG1 VAL 67 0.340 -3.287 -11.474 498 3HG1 VAL 67 3HG1 VAL 67 0.211 -3.805 -9.794 499 1HG2 VAL 67 1HG2 VAL 67 2.143 -6.835 -11.825 500 2HG2 VAL 67 2HG2 VAL 67 1.486 -5.673 -12.978 501 3HG2 VAL 67 3HG2 VAL 67 0.413 -6.493 -11.842 502 H ASN 68 H ASN 68 2.278 -1.515 -11.257 503 HA ASN 68 HA ASN 68 3.717 -1.240 -8.646 504 1HB ASN 68 2HB ASN 68 3.509 0.521 -11.063 505 2HB ASN 68 1HB ASN 68 3.691 1.282 -9.484 506 1HD2 ASN 68 1HD2 ASN 68 5.811 1.432 -8.699 507 2HD2 ASN 68 2HD2 ASN 68 7.126 0.544 -9.301 508 HA PRO 69 HA PRO 69 -0.018 0.250 -6.850 509 1HB PRO 69 2HB PRO 69 0.998 2.025 -5.008 510 2HB PRO 69 1HB PRO 69 1.099 0.266 -4.831 511 1HG PRO 69 2HG PRO 69 3.243 2.202 -5.559 512 2HG PRO 69 1HG PRO 69 3.380 0.613 -4.790 513 1HD PRO 69 2HD PRO 69 3.892 1.199 -7.517 514 2HD PRO 69 1HD PRO 69 3.736 -0.420 -6.802 515 H ALA 70 H ALA 70 -0.095 1.417 -9.202 516 HA ALA 70 HA ALA 70 -0.603 4.306 -8.656 517 1HB ALA 70 1HB ALA 70 0.631 3.319 -11.234 518 2HB ALA 70 2HB ALA 70 1.600 3.899 -9.880 519 3HB ALA 70 3HB ALA 70 0.464 4.985 -10.681 520 H GLN 71 H GLN 71 -2.142 1.575 -9.286 521 HA GLN 71 HA GLN 71 -4.154 2.907 -11.026 522 1HB GLN 71 2HB GLN 71 -4.462 0.742 -12.277 523 2HB GLN 71 1HB GLN 71 -2.911 1.520 -12.579 524 1HG GLN 71 2HG GLN 71 -2.600 -0.174 -10.300 525 2HG GLN 71 1HG GLN 71 -3.406 -1.105 -11.561 526 1HE2 GLN 71 1HE2 GLN 71 -2.200 -1.623 -13.479 527 2HE2 GLN 71 2HE2 GLN 71 -0.556 -1.242 -13.657 528 HA PRO 72 HA PRO 72 -7.052 1.164 -8.225 529 1HB PRO 72 2HB PRO 72 -9.180 0.626 -9.883 530 2HB PRO 72 1HB PRO 72 -8.721 2.256 -9.363 531 1HG PRO 72 2HG PRO 72 -8.311 0.943 -12.012 532 2HG PRO 72 1HG PRO 72 -8.492 2.662 -11.628 533 1HD PRO 72 2HD PRO 72 -6.057 1.357 -12.186 534 2HD PRO 72 1HD PRO 72 -6.225 2.957 -11.434 535 H ALA 73 H ALA 73 -7.990 -0.821 -7.475 536 HA ALA 73 HA ALA 73 -6.667 -3.230 -8.188 537 1HB ALA 73 1HB ALA 73 -8.419 -4.356 -6.822 538 2HB ALA 73 2HB ALA 73 -9.326 -2.844 -6.780 539 3HB ALA 73 3HB ALA 73 -7.741 -2.946 -6.011 540 H GLY 74 H GLY 74 -9.789 -1.912 -9.276 541 1HA GLY 74 2HA GLY 74 -10.785 -4.183 -10.648 542 2HA GLY 74 1HA GLY 74 -11.138 -2.513 -11.100 543 H ASN 75 H ASN 75 -8.578 -1.611 -11.789 544 HA ASN 75 HA ASN 75 -8.274 -2.695 -14.453 545 1HB ASN 75 2HB ASN 75 -7.636 -0.316 -13.361 546 2HB ASN 75 1HB ASN 75 -6.062 -1.102 -13.240 547 1HD2 ASN 75 1HD2 ASN 75 -4.854 -1.382 -15.176 548 2HD2 ASN 75 2HD2 ASN 75 -5.415 -0.907 -16.705 549 H ILE 76 H ILE 76 -6.561 -3.164 -11.385 550 HA ILE 76 HA ILE 76 -4.285 -4.573 -12.384 551 HB ILE 76 HB ILE 76 -5.737 -4.811 -9.729 552 1HG1 ILE 76 2HG1 ILE 76 -4.760 -2.566 -10.382 553 2HG1 ILE 76 1HG1 ILE 76 -4.090 -3.256 -8.907 554 1HG2 ILE 76 1HG2 ILE 76 -2.898 -5.472 -9.726 555 2HG2 ILE 76 2HG2 ILE 76 -3.813 -6.557 -10.768 556 3HG2 ILE 76 3HG2 ILE 76 -4.257 -6.381 -9.072 557 1HD1 ILE 76 1HD1 ILE 76 -2.311 -4.289 -10.573 558 2HD1 ILE 76 2HD1 ILE 76 -2.145 -2.626 -10.016 559 3HD1 ILE 76 3HD1 ILE 76 -2.823 -2.958 -11.609 560 H PHE 77 H PHE 77 -7.494 -5.749 -11.324 561 HA PHE 77 HA PHE 77 -6.875 -8.536 -11.866 562 1HB PHE 77 2HB PHE 77 -8.721 -7.504 -10.320 563 2HB PHE 77 1HB PHE 77 -9.676 -7.432 -11.799 564 HD1 PHE 77 HD1 PHE 77 -8.121 -9.632 -9.303 565 HD2 PHE 77 HD2 PHE 77 -10.307 -9.492 -12.997 566 HE1 PHE 77 HE1 PHE 77 -8.653 -12.044 -9.080 567 HE2 PHE 77 HE2 PHE 77 -10.838 -11.904 -12.774 568 HZ PHE 77 HZ PHE 77 -10.011 -13.180 -10.815 569 H LEU 78 H LEU 78 -8.583 -5.955 -13.656 570 HA LEU 78 HA LEU 78 -9.460 -7.557 -15.857 571 1HB LEU 78 2HB LEU 78 -8.818 -4.614 -15.593 572 2HB LEU 78 1HB LEU 78 -9.352 -5.308 -17.121 573 HG LEU 78 HG LEU 78 -10.906 -5.720 -14.562 574 1HD1 LEU 78 1HD1 LEU 78 -11.195 -3.494 -16.604 575 2HD1 LEU 78 2HD1 LEU 78 -10.725 -3.302 -14.916 576 3HD1 LEU 78 3HD1 LEU 78 -12.354 -3.843 -15.321 577 1HD2 LEU 78 1HD2 LEU 78 -12.200 -5.541 -17.224 578 2HD2 LEU 78 2HD2 LEU 78 -12.489 -6.679 -15.909 579 3HD2 LEU 78 3HD2 LEU 78 -11.129 -6.924 -17.003 580 H LYS 79 H LYS 79 -6.378 -5.871 -15.259 581 HA LYS 79 HA LYS 79 -5.341 -6.678 -17.907 582 1HB LYS 79 2HB LYS 79 -4.894 -4.458 -16.404 583 2HB LYS 79 1HB LYS 79 -3.510 -5.441 -15.927 584 1HG LYS 79 2HG LYS 79 -3.716 -5.738 -18.725 585 2HG LYS 79 1HG LYS 79 -3.968 -4.023 -18.412 586 1HD LYS 79 2HD LYS 79 -1.855 -4.631 -16.733 587 2HD LYS 79 1HD LYS 79 -1.523 -5.625 -18.152 588 1HE LYS 79 2HE LYS 79 -1.444 -3.763 -19.596 589 2HE LYS 79 1HE LYS 79 -2.304 -2.730 -18.455 590 1HZ LYS 79 1HZ LYS 79 0.298 -2.620 -18.751 591 2HZ LYS 79 2HZ LYS 79 0.251 -3.856 -17.587 592 3HZ LYS 79 3HZ LYS 79 -0.441 -2.341 -17.252 593 H HIS 80 H HIS 80 -4.199 -7.071 -14.516 594 HA HIS 80 HA HIS 80 -2.468 -9.300 -15.376 595 1HB HIS 80 2HB HIS 80 -2.881 -8.311 -12.546 596 2HB HIS 80 1HB HIS 80 -1.495 -9.185 -13.198 597 HD1 HIS 80 HD1 HIS 80 -0.292 -7.786 -15.317 598 HD2 HIS 80 HD2 HIS 80 -2.454 -5.585 -12.512 599 HE1 HIS 80 HE1 HIS 80 0.455 -5.378 -15.565 600 H GLY 81 H GLY 81 -5.021 -8.913 -12.867 601 1HA GLY 81 2HA GLY 81 -6.873 -10.591 -12.840 602 2HA GLY 81 1HA GLY 81 -5.673 -11.809 -13.274 603 H SER 82 H SER 82 -5.344 -13.115 -11.542 604 HA SER 82 HA SER 82 -5.167 -11.850 -8.833 605 1HB SER 82 2HB SER 82 -6.964 -13.714 -9.499 606 2HB SER 82 1HB SER 82 -5.617 -14.789 -9.133 607 HG SER 82 HG SER 82 -6.497 -14.483 -7.191 608 H GLU 83 H GLU 83 -3.741 -14.338 -10.967 609 HA GLU 83 HA GLU 83 -1.667 -15.204 -9.221 610 1HB GLU 83 2HB GLU 83 -2.165 -15.276 -12.151 611 2HB GLU 83 1HB GLU 83 -0.488 -15.473 -11.645 612 1HG GLU 83 2HG GLU 83 -2.613 -17.036 -10.219 613 2HG GLU 83 1HG GLU 83 -2.087 -17.575 -11.814 614 H LEU 84 H LEU 84 -0.408 -13.709 -8.194 615 HA LEU 84 HA LEU 84 1.192 -11.862 -9.900 616 1HB LEU 84 2HB LEU 84 -0.433 -11.134 -7.457 617 2HB LEU 84 1HB LEU 84 0.921 -10.146 -8.004 618 HG LEU 84 HG LEU 84 -1.081 -10.941 -10.064 619 1HD1 LEU 84 1HD1 LEU 84 -2.240 -8.662 -9.221 620 2HD1 LEU 84 2HD1 LEU 84 -1.693 -9.288 -7.666 621 3HD1 LEU 84 3HD1 LEU 84 -2.771 -10.253 -8.675 622 1HD2 LEU 84 1HD2 LEU 84 0.354 -8.342 -9.426 623 2HD2 LEU 84 2HD2 LEU 84 -0.570 -8.684 -10.888 624 3HD2 LEU 84 3HD2 LEU 84 0.927 -9.559 -10.566 625 H ARG 85 H ARG 85 3.068 -10.932 -8.565 626 HA ARG 85 HA ARG 85 4.018 -12.865 -6.491 627 1HB ARG 85 2HB ARG 85 5.284 -12.091 -9.087 628 2HB ARG 85 1HB ARG 85 6.343 -12.325 -7.700 629 1HG ARG 85 2HG ARG 85 6.266 -14.531 -8.180 630 2HG ARG 85 1HG ARG 85 4.609 -14.500 -7.574 631 1HD ARG 85 2HD ARG 85 3.831 -13.883 -9.872 632 2HD ARG 85 1HD ARG 85 5.487 -14.077 -10.445 633 HE ARG 85 HE ARG 85 5.091 -16.392 -10.475 634 1HH1 ARG 85 2HH1 ARG 85 2.107 -15.399 -9.906 635 2HH1 ARG 85 1HH1 ARG 85 1.661 -16.577 -8.719 636 1HH2 ARG 85 1HH2 ARG 85 4.916 -17.683 -8.204 637 2HH2 ARG 85 2HH2 ARG 85 3.254 -17.873 -7.752 638 H LEU 86 H LEU 86 5.441 -11.932 -4.920 639 HA LEU 86 HA LEU 86 5.404 -8.945 -4.880 640 1HB LEU 86 2HB LEU 86 4.409 -10.405 -2.955 641 2HB LEU 86 1HB LEU 86 6.092 -10.660 -2.502 642 HG LEU 86 HG LEU 86 5.746 -7.877 -3.057 643 1HD1 LEU 86 1HD1 LEU 86 3.709 -9.045 -1.136 644 2HD1 LEU 86 2HD1 LEU 86 3.358 -8.189 -2.636 645 3HD1 LEU 86 3HD1 LEU 86 4.087 -7.329 -1.281 646 1HD2 LEU 86 1HD2 LEU 86 6.171 -7.876 -0.459 647 2HD2 LEU 86 2HD2 LEU 86 7.429 -8.464 -1.546 648 3HD2 LEU 86 3HD2 LEU 86 6.400 -9.610 -0.689 649 H ILE 87 H ILE 87 7.282 -7.980 -5.385 650 HA ILE 87 HA ILE 87 9.835 -9.404 -4.749 651 HB ILE 87 HB ILE 87 9.537 -9.378 -7.162 652 1HG1 ILE 87 2HG1 ILE 87 11.427 -7.088 -6.629 653 2HG1 ILE 87 1HG1 ILE 87 11.789 -8.707 -6.033 654 1HG2 ILE 87 1HG2 ILE 87 8.345 -6.814 -6.633 655 2HG2 ILE 87 2HG2 ILE 87 8.333 -7.745 -8.128 656 3HG2 ILE 87 3HG2 ILE 87 9.646 -6.614 -7.805 657 1HD1 ILE 87 1HD1 ILE 87 11.425 -9.549 -8.398 658 2HD1 ILE 87 2HD1 ILE 87 12.836 -8.512 -8.187 659 3HD1 ILE 87 3HD1 ILE 87 11.363 -7.862 -8.908 660 HA PRO 88 HA PRO 88 10.485 -5.753 -2.310 661 1HB PRO 88 2HB PRO 88 13.006 -6.448 -1.453 662 2HB PRO 88 1HB PRO 88 11.514 -7.114 -0.764 663 1HG PRO 88 2HG PRO 88 13.467 -8.399 -2.619 664 2HG PRO 88 1HG PRO 88 12.390 -9.149 -1.428 665 1HD PRO 88 2HD PRO 88 11.947 -9.064 -4.212 666 2HD PRO 88 1HD PRO 88 10.730 -9.458 -2.981 667 H ARG 89 H ARG 89 11.078 -3.808 -3.158 668 HA ARG 89 HA ARG 89 13.088 -3.684 -5.317 669 1HB ARG 89 2HB ARG 89 10.733 -2.294 -4.804 670 2HB ARG 89 1HB ARG 89 11.992 -1.130 -4.389 671 1HG ARG 89 2HG ARG 89 12.782 -1.002 -6.546 672 2HG ARG 89 1HG ARG 89 12.361 -2.676 -6.913 673 1HD ARG 89 2HD ARG 89 10.757 -1.544 -8.159 674 2HD ARG 89 1HD ARG 89 9.886 -1.790 -6.646 675 HE ARG 89 HE ARG 89 11.181 0.784 -7.446 676 1HH1 ARG 89 2HH1 ARG 89 8.193 0.513 -7.469 677 2HH1 ARG 89 1HH1 ARG 89 7.752 1.166 -5.926 678 1HH2 ARG 89 1HH2 ARG 89 10.963 0.940 -4.615 679 2HH2 ARG 89 2HH2 ARG 89 9.323 1.408 -4.308 680 H ASP 90 H ASP 90 15.016 -2.464 -5.169 681 HA ASP 90 HA ASP 90 15.735 -1.476 -2.441 682 1HB ASP 90 2HB ASP 90 17.058 -3.533 -4.103 683 2HB ASP 90 1HB ASP 90 18.148 -2.307 -3.454 684 H ARG 91 H ARG 91 14.760 0.347 -4.045 685 HA ARG 91 HA ARG 91 17.010 1.611 -5.544 686 1HB ARG 91 2HB ARG 91 14.094 1.525 -5.874 687 2HB ARG 91 1HB ARG 91 14.742 3.163 -5.971 688 1HG ARG 91 2HG ARG 91 15.518 2.757 -8.041 689 2HG ARG 91 1HG ARG 91 16.477 1.404 -7.435 690 1HD ARG 91 2HD ARG 91 13.899 0.383 -7.443 691 2HD ARG 91 1HD ARG 91 13.938 1.377 -8.901 692 HE ARG 91 HE ARG 91 15.843 0.021 -9.683 693 1HH1 ARG 91 1HH2 ARG 91 16.942 -1.090 -7.195 694 2HH1 ARG 91 2HH2 ARG 91 16.299 -2.698 -7.155 695 1HH2 ARG 91 2HH1 ARG 91 13.818 -2.056 -9.496 696 2HH2 ARG 91 1HH1 ARG 91 14.531 -3.244 -8.458 697 H VAL 92 H VAL 92 14.307 2.620 -3.405 698 HA VAL 92 HA VAL 92 15.725 5.058 -2.625 699 HB VAL 92 HB VAL 92 13.201 3.828 -1.460 700 1HG1 VAL 92 1HG1 VAL 92 12.829 6.338 -0.926 701 2HG1 VAL 92 2HG1 VAL 92 14.564 6.506 -1.191 702 3HG1 VAL 92 3HG1 VAL 92 13.965 5.444 0.083 703 1HG2 VAL 92 1HG2 VAL 92 12.820 4.246 -3.803 704 2HG2 VAL 92 2HG2 VAL 92 13.653 5.796 -3.721 705 3HG2 VAL 92 3HG2 VAL 92 12.094 5.591 -2.924 706 H GLY 93 H GLY 93 14.573 2.193 -0.784 707 1HA GLY 93 2HA GLY 93 17.040 2.305 0.857 708 2HA GLY 93 1HA GLY 93 15.501 2.448 1.704 709 H HIS 94 HN HIS 94 14.683 0.565 2.446 710 HA HIS 94 HA HIS 94 14.081 -1.697 2.558 711 1HB HIS 94 2HB HIS 94 13.921 -1.345 -0.046 712 2HB HIS 94 1HB HIS 94 15.417 -2.278 -0.071 713 HD1 HIS 94 HD1 HIS 94 15.302 -4.743 0.867 714 HD2 HIS 94 HD2 HIS 94 11.606 -2.835 0.570 715 HE1 HIS 94 HE1 HIS 94 13.541 -6.549 1.101 Start of MODEL 16 1 1H MET 1 1H MET 1 0.918 -24.805 -10.495 2 2H MET 1 2H MET 1 2.194 -23.799 -10.994 3 3H MET 1 3H MET 1 0.631 -23.570 -11.621 4 HA MET 1 HA MET 1 1.196 -21.901 -9.937 5 1HB MET 1 2HB MET 1 -1.155 -23.472 -10.139 6 2HB MET 1 1HB MET 1 -0.847 -23.265 -8.414 7 1HG MET 1 2HG MET 1 -0.653 -20.820 -8.742 8 2HG MET 1 1HG MET 1 -0.952 -21.034 -10.468 9 1HE MET 1 1HE MET 1 -2.654 -21.554 -11.549 10 2HE MET 1 2HE MET 1 -4.337 -21.278 -11.115 11 3HE MET 1 3HE MET 1 -3.638 -22.879 -10.914 12 H SER 2 H SER 2 1.663 -21.441 -7.752 13 HA SER 2 HA SER 2 2.545 -23.728 -6.051 14 1HB SER 2 2HB SER 2 4.180 -21.630 -7.271 15 2HB SER 2 1HB SER 2 4.364 -21.695 -5.521 16 HG SER 2 HG SER 2 5.769 -23.177 -6.270 17 H GLY 3 H GLY 3 3.076 -22.772 -3.754 18 1HA GLY 3 2HA GLY 3 2.483 -21.426 -1.905 19 2HA GLY 3 1HA GLY 3 1.613 -20.350 -2.999 20 H GLY 4 H GLY 4 -0.593 -20.678 -3.321 21 1HA GLY 4 2HA GLY 4 -1.851 -23.087 -2.105 22 2HA GLY 4 1HA GLY 4 -2.400 -21.496 -1.578 23 H THR 5 H THR 5 -4.307 -21.042 -2.543 24 HA THR 5 HA THR 5 -4.639 -21.773 -5.427 25 HB THR 5 HB THR 5 -7.116 -21.647 -4.939 26 HG1 THR 5 HG1 THR 5 -7.319 -20.567 -3.097 27 1HG2 THR 5 1HG2 THR 5 -6.983 -23.803 -3.406 28 2HG2 THR 5 2HG2 THR 5 -5.257 -23.662 -3.740 29 3HG2 THR 5 3HG2 THR 5 -6.400 -23.844 -5.069 30 H ALA 6 H ALA 6 -5.266 -20.163 -6.840 31 HA ALA 6 HA ALA 6 -5.079 -17.390 -5.832 32 1HB ALA 6 1HB ALA 6 -3.873 -18.192 -7.918 33 2HB ALA 6 2HB ALA 6 -4.867 -16.751 -8.142 34 3HB ALA 6 3HB ALA 6 -5.454 -18.321 -8.691 35 H ALA 7 H ALA 7 -6.883 -16.207 -5.413 36 HA ALA 7 HA ALA 7 -9.523 -17.338 -6.076 37 1HB ALA 7 1HB ALA 7 -8.813 -16.203 -3.838 38 2HB ALA 7 2HB ALA 7 -10.407 -15.841 -4.499 39 3HB ALA 7 3HB ALA 7 -9.086 -14.693 -4.706 40 H THR 8 H THR 8 -10.278 -16.930 -8.090 41 HA THR 8 HA THR 8 -9.657 -14.318 -9.379 42 HB THR 8 HB THR 8 -10.914 -16.814 -10.573 43 HG1 THR 8 HG1 THR 8 -8.955 -17.485 -10.846 44 1HG2 THR 8 1HG2 THR 8 -11.482 -14.761 -11.788 45 2HG2 THR 8 2HG2 THR 8 -10.336 -15.721 -12.723 46 3HG2 THR 8 3HG2 THR 8 -9.780 -14.302 -11.837 47 H THR 9 H THR 9 -11.158 -12.922 -8.405 48 HA THR 9 HA THR 9 -14.040 -13.593 -8.875 49 HB THR 9 HB THR 9 -14.512 -12.123 -6.867 50 HG1 THR 9 HG1 THR 9 -12.886 -11.132 -6.025 51 1HG2 THR 9 1HG2 THR 9 -13.950 -13.866 -5.237 52 2HG2 THR 9 2HG2 THR 9 -12.793 -14.569 -6.366 53 3HG2 THR 9 3HG2 THR 9 -14.516 -14.595 -6.740 54 H ALA 10 H ALA 10 -15.177 -12.104 -10.039 55 HA ALA 10 HA ALA 10 -14.111 -9.337 -10.298 56 1HB ALA 10 1HB ALA 10 -14.547 -9.464 -12.784 57 2HB ALA 10 2HB ALA 10 -14.744 -11.206 -12.598 58 3HB ALA 10 3HB ALA 10 -13.193 -10.451 -12.234 59 H GLY 11 H GLY 11 -15.729 -7.787 -10.595 60 1HA GLY 11 2HA GLY 11 -18.089 -7.395 -11.489 61 2HA GLY 11 1HA GLY 11 -18.542 -8.813 -10.542 62 H SER 12 H SER 12 -18.172 -8.666 -8.160 63 HA SER 12 HA SER 12 -18.964 -5.992 -7.188 64 1HB SER 12 2HB SER 12 -19.235 -7.213 -4.990 65 2HB SER 12 1HB SER 12 -20.237 -7.838 -6.296 66 HG SER 12 HG SER 12 -19.083 -9.461 -5.074 67 H LYS 13 H LYS 13 -16.434 -8.414 -6.391 68 HA LYS 13 HA LYS 13 -14.630 -6.150 -5.672 69 1HB LYS 13 2HB LYS 13 -14.954 -8.674 -4.019 70 2HB LYS 13 1HB LYS 13 -13.850 -7.342 -3.683 71 1HG LYS 13 2HG LYS 13 -15.761 -5.810 -3.416 72 2HG LYS 13 1HG LYS 13 -16.875 -7.133 -3.764 73 1HD LYS 13 2HD LYS 13 -16.868 -7.617 -1.562 74 2HD LYS 13 1HD LYS 13 -15.186 -8.115 -1.743 75 1HE LYS 13 2HE LYS 13 -14.929 -5.388 -1.621 76 2HE LYS 13 1HE LYS 13 -16.301 -5.657 -0.547 77 1HZ LYS 13 1HZ LYS 13 -13.547 -6.236 -0.128 78 2HZ LYS 13 2HZ LYS 13 -14.493 -7.631 0.082 79 3HZ LYS 13 3HZ LYS 13 -14.825 -6.233 0.987 80 H VAL 14 H VAL 14 -12.371 -6.668 -5.886 81 HA VAL 14 HA VAL 14 -11.858 -9.056 -7.615 82 HB VAL 14 HB VAL 14 -9.792 -7.684 -8.330 83 1HG1 VAL 14 1HG1 VAL 14 -11.419 -7.901 -9.985 84 2HG1 VAL 14 2HG1 VAL 14 -11.374 -6.151 -9.773 85 3HG1 VAL 14 3HG1 VAL 14 -12.655 -7.099 -9.018 86 1HG2 VAL 14 1HG2 VAL 14 -10.079 -6.028 -6.419 87 2HG2 VAL 14 2HG2 VAL 14 -11.479 -5.393 -7.282 88 3HG2 VAL 14 3HG2 VAL 14 -9.877 -5.300 -8.013 89 H THR 15 H THR 15 -10.660 -10.617 -6.675 90 HA THR 15 HA THR 15 -9.053 -9.929 -4.256 91 HB THR 15 HB THR 15 -9.963 -12.643 -5.275 92 HG1 THR 15 HG1 THR 15 -11.687 -12.329 -4.121 93 1HG2 THR 15 1HG2 THR 15 -8.676 -11.792 -2.664 94 2HG2 THR 15 2HG2 THR 15 -7.918 -12.764 -3.924 95 3HG2 THR 15 3HG2 THR 15 -9.285 -13.408 -3.017 96 H PHE 16 H PHE 16 -6.844 -10.162 -4.271 97 HA PHE 16 HA PHE 16 -5.604 -11.288 -6.756 98 1HB PHE 16 2HB PHE 16 -4.383 -9.191 -4.947 99 2HB PHE 16 1HB PHE 16 -3.814 -9.698 -6.534 100 HD1 PHE 16 HD1 PHE 16 -6.134 -7.567 -4.708 101 HD2 PHE 16 HD2 PHE 16 -5.173 -9.167 -8.577 102 HE1 PHE 16 HE1 PHE 16 -7.556 -5.839 -5.777 103 HE2 PHE 16 HE2 PHE 16 -6.596 -7.439 -9.644 104 HZ PHE 16 HZ PHE 16 -7.786 -5.776 -8.244 105 H LYS 17 H LYS 17 -4.198 -12.944 -6.467 106 HA LYS 17 HA LYS 17 -3.447 -13.678 -3.672 107 1HB LYS 17 2HB LYS 17 -4.709 -15.353 -5.107 108 2HB LYS 17 1HB LYS 17 -3.289 -15.422 -6.150 109 1HG LYS 17 2HG LYS 17 -2.809 -15.768 -3.231 110 2HG LYS 17 1HG LYS 17 -3.632 -17.090 -4.058 111 1HD LYS 17 2HD LYS 17 -1.628 -16.515 -5.836 112 2HD LYS 17 1HD LYS 17 -0.835 -16.172 -4.298 113 1HE LYS 17 2HE LYS 17 -0.577 -18.379 -3.935 114 2HE LYS 17 1HE LYS 17 -2.325 -18.595 -3.996 115 1HZ LYS 17 1HZ LYS 17 -0.926 -18.282 -6.542 116 2HZ LYS 17 2HZ LYS 17 -2.270 -19.245 -6.150 117 3HZ LYS 17 3HZ LYS 17 -0.707 -19.748 -5.716 118 H ILE 18 H ILE 18 -1.552 -12.551 -3.313 119 HA ILE 18 HA ILE 18 0.560 -12.560 -5.399 120 HB ILE 18 HB ILE 18 0.567 -11.194 -2.689 121 1HG1 ILE 18 2HG1 ILE 18 0.249 -9.260 -4.672 122 2HG1 ILE 18 1HG1 ILE 18 -0.833 -10.557 -5.182 123 1HG2 ILE 18 1HG2 ILE 18 2.247 -9.725 -3.940 124 2HG2 ILE 18 2HG2 ILE 18 2.270 -10.977 -5.180 125 3HG2 ILE 18 3HG2 ILE 18 2.792 -11.353 -3.538 126 1HD1 ILE 18 1HD1 ILE 18 -1.151 -8.676 -3.004 127 2HD1 ILE 18 2HD1 ILE 18 -1.187 -10.330 -2.394 128 3HD1 ILE 18 3HD1 ILE 18 -2.318 -9.830 -3.651 129 H THR 19 H THR 19 2.547 -13.597 -5.110 130 HA THR 19 HA THR 19 2.757 -15.374 -2.707 131 HB THR 19 HB THR 19 4.156 -16.857 -4.211 132 HG1 THR 19 HG1 THR 19 4.627 -16.088 -6.086 133 1HG2 THR 19 1HG2 THR 19 2.015 -17.704 -3.901 134 2HG2 THR 19 2HG2 THR 19 2.042 -17.498 -5.652 135 3HG2 THR 19 3HG2 THR 19 1.241 -16.300 -4.636 136 H LEU 20 H LEU 20 4.604 -15.207 -1.498 137 HA LEU 20 HA LEU 20 6.515 -13.078 -2.184 138 1HB LEU 20 2HB LEU 20 5.598 -13.479 0.146 139 2HB LEU 20 1HB LEU 20 6.578 -14.940 0.203 140 HG LEU 20 HG LEU 20 8.606 -13.559 -0.231 141 1HD1 LEU 20 1HD1 LEU 20 7.869 -11.640 -1.364 142 2HD1 LEU 20 2HD1 LEU 20 8.174 -11.022 0.258 143 3HD1 LEU 20 3HD1 LEU 20 6.525 -11.383 -0.251 144 1HD2 LEU 20 1HD2 LEU 20 7.908 -12.081 2.059 145 2HD2 LEU 20 2HD2 LEU 20 8.687 -13.663 2.022 146 3HD2 LEU 20 3HD2 LEU 20 6.932 -13.547 2.142 147 H THR 21 H THR 21 8.251 -13.518 -3.431 148 HA THR 21 HA THR 21 9.385 -16.283 -3.376 149 HB THR 21 HB THR 21 8.502 -15.480 -5.577 150 HG1 THR 21 HG1 THR 21 9.993 -16.753 -6.267 151 1HG2 THR 21 1HG2 THR 21 10.856 -13.641 -5.793 152 2HG2 THR 21 2HG2 THR 21 9.400 -13.055 -4.989 153 3HG2 THR 21 3HG2 THR 21 9.322 -13.603 -6.662 154 H SER 22 H SER 22 10.037 -13.074 -2.395 155 HA SER 22 HA SER 22 12.956 -13.258 -2.673 156 1HB SER 22 2HB SER 22 11.000 -11.205 -1.859 157 2HB SER 22 1HB SER 22 12.500 -11.174 -0.938 158 HG SER 22 HG SER 22 13.112 -10.075 -2.652 159 H ASP 23 H ASP 23 10.711 -13.018 0.127 160 HA ASP 23 HA ASP 23 12.833 -14.174 1.860 161 1HB ASP 23 2HB ASP 23 10.203 -12.795 2.441 162 2HB ASP 23 1HB ASP 23 11.132 -13.611 3.697 163 HA PRO 24 HA PRO 24 10.866 -18.107 2.021 164 1HB PRO 24 2HB PRO 24 11.843 -18.951 4.451 165 2HB PRO 24 1HB PRO 24 12.810 -18.902 2.967 166 1HG PRO 24 2HG PRO 24 12.888 -17.072 5.320 167 2HG PRO 24 1HG PRO 24 14.171 -17.469 4.163 168 1HD PRO 24 2HD PRO 24 12.623 -15.104 4.163 169 2HD PRO 24 1HD PRO 24 13.652 -15.675 2.834 170 H LYS 25 H LYS 25 10.463 -15.858 4.729 171 HA LYS 25 HA LYS 25 8.395 -17.301 6.117 172 1HB LYS 25 2HB LYS 25 9.884 -15.054 6.633 173 2HB LYS 25 1HB LYS 25 8.307 -14.354 6.271 174 1HG LYS 25 2HG LYS 25 7.280 -15.372 8.079 175 2HG LYS 25 1HG LYS 25 8.409 -16.729 8.088 176 1HD LYS 25 2HD LYS 25 9.802 -14.231 8.581 177 2HD LYS 25 1HD LYS 25 8.492 -14.460 9.745 178 1HE LYS 25 2HE LYS 25 10.200 -15.638 10.792 179 2HE LYS 25 1HE LYS 25 9.453 -16.924 9.849 180 1HZ LYS 25 1HZ LYS 25 11.121 -16.849 8.260 181 2HZ LYS 25 2HZ LYS 25 11.977 -16.643 9.710 182 3HZ LYS 25 3HZ LYS 25 11.650 -15.305 8.724 183 H LEU 26 H LEU 26 6.224 -17.415 5.712 184 HA LEU 26 HA LEU 26 4.147 -17.086 4.690 185 1HB LEU 26 2HB LEU 26 5.328 -14.445 4.843 186 2HB LEU 26 1HB LEU 26 4.391 -14.605 3.362 187 HG LEU 26 HG LEU 26 2.992 -13.783 5.227 188 1HD1 LEU 26 1HD1 LEU 26 1.958 -16.543 4.896 189 2HD1 LEU 26 2HD1 LEU 26 2.325 -15.679 3.403 190 3HD1 LEU 26 3HD1 LEU 26 1.179 -14.997 4.558 191 1HD2 LEU 26 1HD2 LEU 26 3.527 -16.479 6.510 192 2HD2 LEU 26 2HD2 LEU 26 2.560 -15.161 7.169 193 3HD2 LEU 26 3HD2 LEU 26 4.307 -14.980 7.015 194 HA PRO 27 HA PRO 27 5.627 -18.471 0.663 195 1HB PRO 27 2HB PRO 27 3.525 -20.204 0.273 196 2HB PRO 27 1HB PRO 27 4.976 -20.608 1.207 197 1HG PRO 27 2HG PRO 27 2.236 -19.945 2.186 198 2HG PRO 27 1HG PRO 27 3.485 -20.947 2.942 199 1HD PRO 27 2HD PRO 27 2.855 -18.294 3.665 200 2HD PRO 27 1HD PRO 27 4.327 -19.173 4.129 201 H PHE 28 H PHE 28 2.165 -17.763 1.340 202 HA PHE 28 HA PHE 28 2.116 -15.932 -0.973 203 1HB PHE 28 2HB PHE 28 0.189 -17.011 -2.033 204 2HB PHE 28 1HB PHE 28 1.535 -18.144 -1.945 205 HD1 PHE 28 HD1 PHE 28 1.547 -19.948 -0.213 206 HD2 PHE 28 HD2 PHE 28 -1.849 -17.386 -0.811 207 HE1 PHE 28 HE1 PHE 28 0.125 -21.538 1.048 208 HE2 PHE 28 HE2 PHE 28 -3.270 -18.977 0.451 209 HZ PHE 28 HZ PHE 28 -2.284 -21.053 1.381 210 H LYS 29 H LYS 29 0.033 -14.699 -1.053 211 HA LYS 29 HA LYS 29 -1.531 -14.709 1.470 212 1HB LYS 29 2HB LYS 29 0.537 -13.078 1.491 213 2HB LYS 29 1HB LYS 29 -0.482 -12.082 0.453 214 1HG LYS 29 2HG LYS 29 -1.172 -11.283 2.502 215 2HG LYS 29 1HG LYS 29 -2.293 -12.637 2.342 216 1HD LYS 29 2HD LYS 29 -0.154 -13.911 3.430 217 2HD LYS 29 1HD LYS 29 0.029 -12.314 4.156 218 1HE LYS 29 2HE LYS 29 -2.351 -12.414 4.892 219 2HE LYS 29 1HE LYS 29 -2.456 -14.052 4.246 220 1HZ LYS 29 1HZ LYS 29 -0.325 -13.360 6.157 221 2HZ LYS 29 2HZ LYS 29 -1.039 -14.871 5.842 222 3HZ LYS 29 3HZ LYS 29 -1.888 -13.694 6.725 223 H VAL 30 H VAL 30 -3.662 -14.346 1.036 224 HA VAL 30 HA VAL 30 -4.386 -13.421 -1.709 225 HB VAL 30 HB VAL 30 -6.135 -14.806 0.350 226 1HG1 VAL 30 1HG1 VAL 30 -7.818 -14.662 -1.162 227 2HG1 VAL 30 2HG1 VAL 30 -6.753 -15.051 -2.513 228 3HG1 VAL 30 3HG1 VAL 30 -6.851 -13.395 -1.916 229 1HG2 VAL 30 1HG2 VAL 30 -4.558 -15.925 -1.991 230 2HG2 VAL 30 2HG2 VAL 30 -5.790 -16.823 -1.105 231 3HG2 VAL 30 3HG2 VAL 30 -4.320 -16.302 -0.284 232 H LEU 31 H LEU 31 -5.134 -11.371 -1.900 233 HA LEU 31 HA LEU 31 -6.267 -10.041 0.531 234 1HB LEU 31 2HB LEU 31 -4.226 -9.223 -1.351 235 2HB LEU 31 1HB LEU 31 -5.564 -8.075 -1.369 236 HG LEU 31 HG LEU 31 -4.866 -8.914 1.345 237 1HD1 LEU 31 1HD1 LEU 31 -2.754 -7.374 1.227 238 2HD1 LEU 31 2HD1 LEU 31 -2.752 -7.795 -0.485 239 3HD1 LEU 31 3HD1 LEU 31 -2.605 -9.061 0.733 240 1HD2 LEU 31 1HD2 LEU 31 -4.512 -6.217 1.215 241 2HD2 LEU 31 2HD2 LEU 31 -6.093 -6.979 1.383 242 3HD2 LEU 31 3HD2 LEU 31 -5.526 -6.470 -0.207 243 H SER 32 H SER 32 -8.441 -9.863 0.376 244 HA SER 32 HA SER 32 -9.690 -9.649 -2.323 245 1HB SER 32 2HB SER 32 -11.823 -10.141 -1.046 246 2HB SER 32 1HB SER 32 -10.632 -11.436 -1.011 247 HG SER 32 HG SER 32 -11.659 -10.740 1.055 248 H VAL 33 H VAL 33 -10.158 -7.624 -2.981 249 HA VAL 33 HA VAL 33 -11.281 -5.684 -1.022 250 HB VAL 33 HB VAL 33 -9.825 -3.881 -2.058 251 1HG1 VAL 33 1HG1 VAL 33 -9.367 -4.956 0.166 252 2HG1 VAL 33 2HG1 VAL 33 -7.915 -4.370 -0.647 253 3HG1 VAL 33 3HG1 VAL 33 -8.296 -6.092 -0.656 254 1HG2 VAL 33 1HG2 VAL 33 -9.245 -5.456 -4.041 255 2HG2 VAL 33 2HG2 VAL 33 -8.049 -6.154 -2.950 256 3HG2 VAL 33 3HG2 VAL 33 -7.956 -4.448 -3.388 257 HA PRO 34 HA PRO 34 -13.954 -4.705 -4.374 258 1HB PRO 34 2HB PRO 34 -14.527 -2.074 -3.803 259 2HB PRO 34 1HB PRO 34 -15.201 -3.446 -2.905 260 1HG PRO 34 2HG PRO 34 -13.046 -1.547 -2.095 261 2HG PRO 34 1HG PRO 34 -14.177 -2.457 -1.083 262 1HD PRO 34 2HD PRO 34 -11.476 -3.129 -1.529 263 2HD PRO 34 1HD PRO 34 -12.712 -4.208 -0.849 264 H GLU 35 H GLU 35 -14.134 -3.364 -6.343 265 HA GLU 35 HA GLU 35 -11.651 -2.834 -7.628 266 1HB GLU 35 2HB GLU 35 -14.516 -2.183 -8.243 267 2HB GLU 35 1HB GLU 35 -13.241 -1.452 -9.218 268 1HG GLU 35 2HG GLU 35 -13.404 -3.379 -10.428 269 2HG GLU 35 1HG GLU 35 -12.384 -4.037 -9.148 270 H SER 36 H SER 36 -13.738 -0.746 -5.705 271 HA SER 36 HA SER 36 -12.700 1.791 -6.498 272 1HB SER 36 2HB SER 36 -14.371 0.745 -4.368 273 2HB SER 36 1HB SER 36 -13.266 1.968 -3.747 274 HG SER 36 HG SER 36 -15.227 2.845 -4.589 275 H THR 37 H THR 37 -11.561 -0.556 -4.063 276 HA THR 37 HA THR 37 -9.510 1.087 -2.926 277 HB THR 37 HB THR 37 -9.746 -1.928 -3.184 278 HG1 THR 37 HG1 THR 37 -11.234 -0.591 -1.853 279 1HG2 THR 37 1HG2 THR 37 -7.758 -0.239 -1.642 280 2HG2 THR 37 2HG2 THR 37 -7.399 -1.422 -2.899 281 3HG2 THR 37 3HG2 THR 37 -8.028 -1.956 -1.341 282 HA PRO 38 HA PRO 38 -6.815 1.122 -6.470 283 1HB PRO 38 2HB PRO 38 -4.885 2.690 -5.298 284 2HB PRO 38 1HB PRO 38 -6.399 3.328 -5.962 285 1HG PRO 38 2HG PRO 38 -5.614 2.948 -3.111 286 2HG PRO 38 1HG PRO 38 -6.763 4.097 -3.814 287 1HD PRO 38 2HD PRO 38 -7.426 1.692 -2.474 288 2HD PRO 38 1HD PRO 38 -8.528 2.683 -3.454 289 H PHE 39 H PHE 39 -4.588 0.414 -6.975 290 HA PHE 39 HA PHE 39 -3.788 -1.955 -5.572 291 1HB PHE 39 2HB PHE 39 -3.276 -1.132 -8.037 292 2HB PHE 39 1HB PHE 39 -1.834 -0.453 -7.282 293 HD1 PHE 39 HD1 PHE 39 -3.826 -3.639 -7.053 294 HD2 PHE 39 HD2 PHE 39 0.054 -1.816 -7.342 295 HE1 PHE 39 HE1 PHE 39 -2.772 -5.883 -7.051 296 HE2 PHE 39 HE2 PHE 39 1.107 -4.061 -7.341 297 HZ PHE 39 HZ PHE 39 -0.306 -6.093 -7.196 298 H THR 40 H THR 40 -3.104 1.398 -5.002 299 HA THR 40 HA THR 40 -0.565 1.226 -3.721 300 HB THR 40 HB THR 40 -1.377 3.258 -2.419 301 HG1 THR 40 HG1 THR 40 -3.415 3.728 -2.475 302 1HG2 THR 40 1HG2 THR 40 -1.373 3.006 -5.395 303 2HG2 THR 40 2HG2 THR 40 -0.276 3.901 -4.343 304 3HG2 THR 40 3HG2 THR 40 -1.884 4.538 -4.689 305 H ALA 41 H ALA 41 -3.868 0.896 -2.400 306 HA ALA 41 HA ALA 41 -2.946 0.232 0.276 307 1HB ALA 41 1HB ALA 41 -5.091 0.952 0.523 308 2HB ALA 41 2HB ALA 41 -5.515 -0.720 0.156 309 3HB ALA 41 3HB ALA 41 -5.533 0.496 -1.122 310 H VAL 42 H VAL 42 -4.040 -1.637 -2.560 311 HA VAL 42 HA VAL 42 -4.116 -4.207 -1.315 312 HB VAL 42 HB VAL 42 -3.398 -3.494 -4.182 313 1HG1 VAL 42 1HG1 VAL 42 -2.732 -5.742 -3.907 314 2HG1 VAL 42 2HG1 VAL 42 -4.381 -5.876 -4.516 315 3HG1 VAL 42 3HG1 VAL 42 -4.056 -6.094 -2.797 316 1HG2 VAL 42 1HG2 VAL 42 -5.971 -3.848 -2.682 317 2HG2 VAL 42 2HG2 VAL 42 -5.899 -4.365 -4.366 318 3HG2 VAL 42 3HG2 VAL 42 -5.565 -2.686 -3.944 319 H LEU 43 H LEU 43 -1.465 -2.630 -3.138 320 HA LEU 43 HA LEU 43 0.482 -4.680 -2.617 321 1HB LEU 43 2HB LEU 43 0.648 -2.951 -4.434 322 2HB LEU 43 1HB LEU 43 0.980 -1.741 -3.195 323 HG LEU 43 HG LEU 43 2.676 -4.106 -2.908 324 1HD1 LEU 43 1HD1 LEU 43 4.012 -2.968 -5.017 325 2HD1 LEU 43 2HD1 LEU 43 2.342 -2.889 -5.577 326 3HD1 LEU 43 3HD1 LEU 43 3.050 -4.440 -5.128 327 1HD2 LEU 43 1HD2 LEU 43 3.283 -2.146 -1.728 328 2HD2 LEU 43 2HD2 LEU 43 3.021 -1.114 -3.133 329 3HD2 LEU 43 3HD2 LEU 43 4.416 -2.191 -3.078 330 H LYS 44 H LYS 44 -0.454 -1.729 -0.872 331 HA LYS 44 HA LYS 44 1.707 -1.654 0.998 332 1HB LYS 44 2HB LYS 44 -0.366 -0.013 0.544 333 2HB LYS 44 1HB LYS 44 -1.032 -0.891 1.918 334 1HG LYS 44 2HG LYS 44 1.381 -0.428 2.937 335 2HG LYS 44 1HG LYS 44 1.352 0.911 1.791 336 1HD LYS 44 2HD LYS 44 0.326 1.967 3.552 337 2HD LYS 44 1HD LYS 44 -1.103 1.214 2.841 338 1HE LYS 44 2HE LYS 44 -0.993 -0.632 4.388 339 2HE LYS 44 1HE LYS 44 0.585 -0.113 4.977 340 1HZ LYS 44 1HZ LYS 44 -1.434 1.925 5.177 341 2HZ LYS 44 2HZ LYS 44 -0.335 1.364 6.345 342 3HZ LYS 44 3HZ LYS 44 -1.797 0.539 6.085 343 H PHE 45 H PHE 45 -1.530 -3.152 1.263 344 HA PHE 45 HA PHE 45 -1.075 -4.331 3.842 345 1HB PHE 45 2HB PHE 45 -3.107 -4.586 1.683 346 2HB PHE 45 1HB PHE 45 -2.983 -5.936 2.810 347 HD1 PHE 45 HD1 PHE 45 -4.050 -2.495 2.352 348 HD2 PHE 45 HD2 PHE 45 -3.195 -5.516 5.283 349 HE1 PHE 45 HE1 PHE 45 -5.288 -1.190 4.059 350 HE2 PHE 45 HE2 PHE 45 -4.433 -4.210 6.989 351 HZ PHE 45 HZ PHE 45 -5.479 -2.047 6.377 352 H ALA 46 H ALA 46 -0.699 -5.628 0.527 353 HA ALA 46 HA ALA 46 -0.054 -8.305 1.310 354 1HB ALA 46 1HB ALA 46 1.383 -7.577 -1.071 355 2HB ALA 46 2HB ALA 46 -0.218 -6.843 -1.119 356 3HB ALA 46 3HB ALA 46 -0.054 -8.587 -0.920 357 H ALA 47 H ALA 47 2.041 -5.475 0.684 358 HA ALA 47 HA ALA 47 4.531 -6.838 1.100 359 1HB ALA 47 1HB ALA 47 4.836 -4.779 0.078 360 2HB ALA 47 2HB ALA 47 5.239 -4.364 1.743 361 3HB ALA 47 3HB ALA 47 3.644 -3.976 1.098 362 H GLU 48 H GLU 48 2.502 -4.908 3.335 363 HA GLU 48 HA GLU 48 4.211 -5.244 5.620 364 1HB GLU 48 2HB GLU 48 1.507 -4.211 5.082 365 2HB GLU 48 1HB GLU 48 1.690 -4.922 6.685 366 1HG GLU 48 2HG GLU 48 2.325 -2.658 6.979 367 2HG GLU 48 1HG GLU 48 3.854 -3.528 6.859 368 H GLU 49 H GLU 49 1.433 -7.117 4.407 369 HA GLU 49 HA GLU 49 1.314 -8.928 6.653 370 1HB GLU 49 2HB GLU 49 0.216 -8.932 3.856 371 2HB GLU 49 1HB GLU 49 0.134 -10.404 4.823 372 1HG GLU 49 2HG GLU 49 -1.122 -9.290 6.554 373 2HG GLU 49 1HG GLU 49 -0.870 -7.717 5.798 374 H PHE 50 H PHE 50 3.272 -8.830 3.728 375 HA PHE 50 HA PHE 50 4.149 -11.615 4.010 376 1HB PHE 50 2HB PHE 50 4.583 -9.391 2.080 377 2HB PHE 50 1HB PHE 50 5.906 -10.544 2.240 378 HD1 PHE 50 HD1 PHE 50 3.308 -9.890 0.180 379 HD2 PHE 50 HD2 PHE 50 4.696 -13.095 2.676 380 HE1 PHE 50 HE1 PHE 50 2.068 -11.517 -1.220 381 HE2 PHE 50 HE2 PHE 50 3.454 -14.724 1.277 382 HZ PHE 50 HZ PHE 50 2.142 -13.934 -0.671 383 H LYS 51 H LYS 51 6.329 -8.841 3.584 384 HA LYS 51 HA LYS 51 7.431 -8.699 6.187 385 1HB LYS 51 2HB LYS 51 8.073 -11.158 4.991 386 2HB LYS 51 1HB LYS 51 9.529 -10.180 4.812 387 1HG LYS 51 2HG LYS 51 8.374 -9.815 7.449 388 2HG LYS 51 1HG LYS 51 8.677 -11.523 7.133 389 1HD LYS 51 2HD LYS 51 10.917 -10.055 6.147 390 2HD LYS 51 1HD LYS 51 10.577 -9.480 7.781 391 1HE LYS 51 2HE LYS 51 10.949 -11.564 8.739 392 2HE LYS 51 1HE LYS 51 10.547 -12.433 7.259 393 1HZ LYS 51 1HZ LYS 51 12.847 -10.681 7.068 394 2HZ LYS 51 2HZ LYS 51 12.632 -12.266 6.493 395 3HZ LYS 51 3HZ LYS 51 13.042 -11.996 8.119 396 H VAL 52 H VAL 52 6.928 -7.002 3.869 397 HA VAL 52 HA VAL 52 9.627 -5.773 3.651 398 HB VAL 52 HB VAL 52 9.051 -5.270 1.187 399 1HG1 VAL 52 1HG1 VAL 52 10.779 -6.917 2.046 400 2HG1 VAL 52 2HG1 VAL 52 10.125 -7.288 0.451 401 3HG1 VAL 52 3HG1 VAL 52 9.559 -8.177 1.864 402 1HG2 VAL 52 1HG2 VAL 52 7.522 -6.774 0.084 403 2HG2 VAL 52 2HG2 VAL 52 6.660 -6.066 1.449 404 3HG2 VAL 52 3HG2 VAL 52 7.290 -7.710 1.561 405 HA PRO 53 HA PRO 53 7.381 -2.045 4.275 406 1HB PRO 53 2HB PRO 53 9.104 -0.265 3.082 407 2HB PRO 53 1HB PRO 53 9.410 -1.023 4.654 408 1HG PRO 53 2HG PRO 53 10.653 -1.619 2.009 409 2HG PRO 53 1HG PRO 53 11.316 -1.842 3.636 410 1HD PRO 53 2HD PRO 53 10.238 -3.879 2.000 411 2HD PRO 53 1HD PRO 53 10.576 -4.010 3.740 412 H ALA 54 H ALA 54 5.687 -1.089 3.212 413 HA ALA 54 HA ALA 54 5.099 -1.622 0.460 414 1HB ALA 54 1HB ALA 54 3.254 -1.191 1.901 415 2HB ALA 54 2HB ALA 54 3.333 0.205 0.825 416 3HB ALA 54 3HB ALA 54 3.956 0.322 2.471 417 H ALA 55 H ALA 55 6.722 1.084 2.048 418 HA ALA 55 HA ALA 55 6.585 3.005 -0.043 419 1HB ALA 55 1HB ALA 55 7.745 4.186 1.477 420 2HB ALA 55 2HB ALA 55 9.152 3.154 1.226 421 3HB ALA 55 3HB ALA 55 7.950 2.726 2.443 422 H THR 56 H THR 56 8.872 0.324 0.483 423 HA THR 56 HA THR 56 9.950 0.836 -2.264 424 HB THR 56 HB THR 56 11.838 -0.774 -1.041 425 HG1 THR 56 HG1 THR 56 11.128 1.210 0.850 426 1HG2 THR 56 1HG2 THR 56 11.791 2.255 -1.081 427 2HG2 THR 56 2HG2 THR 56 12.206 1.235 -2.458 428 3HG2 THR 56 3HG2 THR 56 13.227 1.233 -1.021 429 H SER 57 H SER 57 7.622 -0.609 -2.073 430 HA SER 57 HA SER 57 8.544 -3.427 -2.495 431 1HB SER 57 2HB SER 57 6.437 -2.384 -0.821 432 2HB SER 57 1HB SER 57 5.755 -3.440 -2.051 433 HG SER 57 HG SER 57 7.508 -3.993 0.038 434 H ALA 58 H ALA 58 7.258 -4.628 -4.091 435 HA ALA 58 HA ALA 58 5.605 -3.131 -5.996 436 1HB ALA 58 1HB ALA 58 8.309 -4.235 -6.827 437 2HB ALA 58 2HB ALA 58 7.857 -2.532 -6.779 438 3HB ALA 58 3HB ALA 58 7.085 -3.617 -7.935 439 H ILE 59 H ILE 59 4.532 -4.586 -7.507 440 HA ILE 59 HA ILE 59 4.825 -7.477 -6.782 441 HB ILE 59 HB ILE 59 2.370 -5.773 -7.142 442 1HG1 ILE 59 2HG1 ILE 59 2.881 -8.053 -5.223 443 2HG1 ILE 59 1HG1 ILE 59 3.477 -6.425 -4.899 444 1HG2 ILE 59 1HG2 ILE 59 1.053 -7.917 -7.270 445 2HG2 ILE 59 2HG2 ILE 59 2.567 -8.771 -7.561 446 3HG2 ILE 59 3HG2 ILE 59 1.992 -7.572 -8.721 447 1HD1 ILE 59 1HD1 ILE 59 1.157 -7.065 -3.941 448 2HD1 ILE 59 2HD1 ILE 59 0.583 -6.907 -5.601 449 3HD1 ILE 59 3HD1 ILE 59 1.298 -5.520 -4.780 450 H ILE 60 H ILE 60 5.464 -8.685 -8.497 451 HA ILE 60 HA ILE 60 5.082 -7.582 -11.235 452 HB ILE 60 HB ILE 60 6.763 -9.248 -11.934 453 1HG1 ILE 60 2HG1 ILE 60 7.591 -10.012 -9.234 454 2HG1 ILE 60 1HG1 ILE 60 5.975 -10.599 -9.623 455 1HG2 ILE 60 1HG2 ILE 60 7.920 -7.335 -11.402 456 2HG2 ILE 60 2HG2 ILE 60 8.590 -8.395 -10.163 457 3HG2 ILE 60 3HG2 ILE 60 7.286 -7.280 -9.758 458 1HD1 ILE 60 1HD1 ILE 60 7.744 -12.212 -10.302 459 2HD1 ILE 60 2HD1 ILE 60 8.422 -10.987 -11.371 460 3HD1 ILE 60 3HD1 ILE 60 6.811 -11.631 -11.680 461 H THR 61 H THR 61 4.668 -9.365 -12.961 462 HA THR 61 HA THR 61 2.410 -11.059 -11.980 463 HB THR 61 HB THR 61 1.678 -11.082 -14.360 464 HG1 THR 61 HG1 THR 61 2.910 -10.279 -15.860 465 1HG2 THR 61 1HG2 THR 61 2.043 -8.556 -12.808 466 2HG2 THR 61 2HG2 THR 61 0.558 -9.396 -13.254 467 3HG2 THR 61 3HG2 THR 61 1.422 -8.437 -14.454 468 H ASN 62 H ASN 62 2.117 -13.082 -13.514 469 HA ASN 62 HA ASN 62 4.439 -14.767 -13.150 470 1HB ASN 62 2HB ASN 62 1.756 -15.135 -14.480 471 2HB ASN 62 1HB ASN 62 3.001 -16.380 -14.594 472 1HD2 ASN 62 1HD2 ASN 62 3.712 -17.417 -12.554 473 2HD2 ASN 62 2HD2 ASN 62 2.737 -17.340 -11.166 474 H ASP 63 H ASP 63 3.275 -12.805 -15.809 475 HA ASP 63 HA ASP 63 4.882 -14.159 -17.847 476 1HB ASP 63 2HB ASP 63 3.406 -11.509 -17.821 477 2HB ASP 63 1HB ASP 63 4.273 -12.126 -19.226 478 H GLY 64 H GLY 64 5.142 -11.176 -15.914 479 1HA GLY 64 2HA GLY 64 7.598 -10.830 -15.167 480 2HA GLY 64 1HA GLY 64 7.944 -10.840 -16.896 481 H VAL 65 H VAL 65 5.268 -9.322 -15.066 482 HA VAL 65 HA VAL 65 6.129 -6.688 -16.202 483 HB VAL 65 HB VAL 65 3.306 -7.622 -15.573 484 1HG1 VAL 65 1HG1 VAL 65 3.440 -5.250 -15.251 485 2HG1 VAL 65 2HG1 VAL 65 2.746 -5.491 -16.855 486 3HG1 VAL 65 3HG1 VAL 65 4.444 -5.047 -16.687 487 1HG2 VAL 65 1HG2 VAL 65 4.958 -8.097 -17.846 488 2HG2 VAL 65 2HG2 VAL 65 3.758 -6.897 -18.319 489 3HG2 VAL 65 3HG2 VAL 65 3.240 -8.452 -17.668 490 H GLY 66 H GLY 66 6.888 -5.410 -14.606 491 1HA GLY 66 2HA GLY 66 6.399 -5.950 -11.799 492 2HA GLY 66 1HA GLY 66 7.313 -4.590 -12.445 493 H VAL 67 H VAL 67 4.083 -5.754 -11.694 494 HA VAL 67 HA VAL 67 2.634 -3.381 -12.420 495 HB VAL 67 HB VAL 67 1.928 -5.367 -10.233 496 1HG1 VAL 67 1HG1 VAL 67 -0.237 -4.541 -10.347 497 2HG1 VAL 67 2HG1 VAL 67 -0.042 -3.963 -12.002 498 3HG1 VAL 67 3HG1 VAL 67 0.677 -3.067 -10.665 499 1HG2 VAL 67 1HG2 VAL 67 1.576 -5.463 -13.235 500 2HG2 VAL 67 2HG2 VAL 67 0.559 -6.405 -12.144 501 3HG2 VAL 67 3HG2 VAL 67 2.299 -6.681 -12.185 502 H ASN 68 H ASN 68 2.591 -1.432 -11.423 503 HA ASN 68 HA ASN 68 3.853 -1.191 -8.730 504 1HB ASN 68 2HB ASN 68 3.548 0.657 -11.076 505 2HB ASN 68 1HB ASN 68 3.735 1.344 -9.463 506 1HD2 ASN 68 1HD2 ASN 68 5.903 1.859 -9.114 507 2HD2 ASN 68 2HD2 ASN 68 7.222 0.912 -9.610 508 HA PRO 69 HA PRO 69 0.043 0.021 -6.893 509 1HB PRO 69 2HB PRO 69 0.964 1.783 -4.987 510 2HB PRO 69 1HB PRO 69 1.153 0.025 -4.870 511 1HG PRO 69 2HG PRO 69 3.197 2.092 -5.531 512 2HG PRO 69 1HG PRO 69 3.415 0.488 -4.810 513 1HD PRO 69 2HD PRO 69 3.905 1.178 -7.513 514 2HD PRO 69 1HD PRO 69 3.814 -0.468 -6.853 515 H ALA 70 H ALA 70 -0.131 1.244 -9.176 516 HA ALA 70 HA ALA 70 -0.668 4.125 -8.574 517 1HB ALA 70 1HB ALA 70 0.124 4.753 -10.772 518 2HB ALA 70 2HB ALA 70 0.360 3.063 -11.219 519 3HB ALA 70 3HB ALA 70 1.386 3.803 -9.990 520 H GLN 71 H GLN 71 -1.747 1.162 -10.112 521 HA GLN 71 HA GLN 71 -4.065 2.556 -11.346 522 1HB GLN 71 2HB GLN 71 -3.056 -0.296 -11.568 523 2HB GLN 71 1HB GLN 71 -4.500 0.308 -12.378 524 1HG GLN 71 2HG GLN 71 -3.276 1.272 -14.008 525 2HG GLN 71 1HG GLN 71 -2.229 2.068 -12.831 526 1HE2 GLN 71 1HE2 GLN 71 -0.276 0.914 -12.131 527 2HE2 GLN 71 2HE2 GLN 71 0.313 -0.420 -12.999 528 HA PRO 72 HA PRO 72 -6.885 1.116 -8.276 529 1HB PRO 72 2HB PRO 72 -9.130 0.708 -9.810 530 2HB PRO 72 1HB PRO 72 -8.527 2.314 -9.364 531 1HG PRO 72 2HG PRO 72 -8.365 0.910 -11.991 532 2HG PRO 72 1HG PRO 72 -8.383 2.648 -11.646 533 1HD PRO 72 2HD PRO 72 -6.096 1.116 -12.286 534 2HD PRO 72 1HD PRO 72 -6.093 2.755 -11.604 535 H ALA 73 H ALA 73 -7.974 -0.815 -7.485 536 HA ALA 73 HA ALA 73 -6.822 -3.302 -8.178 537 1HB ALA 73 1HB ALA 73 -9.553 -2.892 -6.926 538 2HB ALA 73 2HB ALA 73 -8.031 -2.811 -6.039 539 3HB ALA 73 3HB ALA 73 -8.535 -4.324 -6.788 540 H GLY 74 H GLY 74 -9.865 -1.831 -9.316 541 1HA GLY 74 2HA GLY 74 -10.893 -4.053 -10.754 542 2HA GLY 74 1HA GLY 74 -11.224 -2.369 -11.151 543 H ASN 75 H ASN 75 -8.706 -1.437 -11.855 544 HA ASN 75 HA ASN 75 -8.409 -2.482 -14.532 545 1HB ASN 75 2HB ASN 75 -7.906 -0.104 -13.747 546 2HB ASN 75 1HB ASN 75 -6.410 -0.743 -13.067 547 1HD2 ASN 75 1HD2 ASN 75 -8.202 -0.438 -16.167 548 2HD2 ASN 75 2HD2 ASN 75 -6.821 -0.520 -17.150 549 H ILE 76 H ILE 76 -6.543 -2.886 -11.526 550 HA ILE 76 HA ILE 76 -4.314 -4.297 -12.608 551 HB ILE 76 HB ILE 76 -5.647 -4.507 -9.888 552 1HG1 ILE 76 2HG1 ILE 76 -4.754 -2.265 -10.508 553 2HG1 ILE 76 1HG1 ILE 76 -3.868 -2.986 -9.169 554 1HG2 ILE 76 1HG2 ILE 76 -2.781 -5.192 -10.185 555 2HG2 ILE 76 2HG2 ILE 76 -3.905 -6.355 -10.884 556 3HG2 ILE 76 3HG2 ILE 76 -4.020 -5.936 -9.176 557 1HD1 ILE 76 1HD1 ILE 76 -2.278 -3.897 -11.038 558 2HD1 ILE 76 2HD1 ILE 76 -2.143 -2.208 -10.554 559 3HD1 ILE 76 3HD1 ILE 76 -3.006 -2.635 -12.031 560 H PHE 77 H PHE 77 -7.472 -5.464 -11.446 561 HA PHE 77 HA PHE 77 -6.887 -8.269 -11.891 562 1HB PHE 77 2HB PHE 77 -8.691 -7.185 -10.367 563 2HB PHE 77 1HB PHE 77 -9.655 -7.071 -11.838 564 HD1 PHE 77 HD1 PHE 77 -10.236 -9.157 -13.115 565 HD2 PHE 77 HD2 PHE 77 -8.357 -9.282 -9.253 566 HE1 PHE 77 HE1 PHE 77 -10.896 -11.535 -12.870 567 HE2 PHE 77 HE2 PHE 77 -9.017 -11.660 -9.011 568 HZ PHE 77 HZ PHE 77 -10.287 -12.785 -10.817 569 H LEU 78 H LEU 78 -8.432 -5.709 -13.813 570 HA LEU 78 HA LEU 78 -9.370 -7.452 -15.922 571 1HB LEU 78 2HB LEU 78 -8.898 -4.473 -15.740 572 2HB LEU 78 1HB LEU 78 -9.472 -5.240 -17.221 573 HG LEU 78 HG LEU 78 -10.839 -5.684 -14.564 574 1HD1 LEU 78 1HD1 LEU 78 -11.696 -3.666 -16.645 575 2HD1 LEU 78 2HD1 LEU 78 -10.714 -3.220 -15.250 576 3HD1 LEU 78 3HD1 LEU 78 -12.332 -3.882 -15.014 577 1HD2 LEU 78 1HD2 LEU 78 -11.609 -6.030 -17.476 578 2HD2 LEU 78 2HD2 LEU 78 -12.770 -6.138 -16.153 579 3HD2 LEU 78 3HD2 LEU 78 -11.442 -7.292 -16.255 580 H LYS 79 H LYS 79 -6.360 -5.626 -15.419 581 HA LYS 79 HA LYS 79 -5.369 -6.315 -18.104 582 1HB LYS 79 2HB LYS 79 -4.583 -4.502 -15.931 583 2HB LYS 79 1HB LYS 79 -3.213 -5.311 -16.692 584 1HG LYS 79 2HG LYS 79 -4.849 -4.587 -18.836 585 2HG LYS 79 1HG LYS 79 -4.926 -3.201 -17.748 586 1HD LYS 79 2HD LYS 79 -2.366 -4.519 -18.711 587 2HD LYS 79 1HD LYS 79 -3.032 -3.015 -19.351 588 1HE LYS 79 2HE LYS 79 -2.574 -1.823 -17.391 589 2HE LYS 79 1HE LYS 79 -2.542 -3.278 -16.395 590 1HZ LYS 79 1HZ LYS 79 -0.428 -2.040 -17.903 591 2HZ LYS 79 2HZ LYS 79 -0.545 -3.714 -18.168 592 3HZ LYS 79 3HZ LYS 79 -0.340 -3.113 -16.593 593 H HIS 80 H HIS 80 -4.326 -7.016 -14.738 594 HA HIS 80 HA HIS 80 -2.622 -9.208 -15.783 595 1HB HIS 80 2HB HIS 80 -2.872 -8.184 -12.942 596 2HB HIS 80 1HB HIS 80 -1.610 -9.238 -13.579 597 HD1 HIS 80 HD1 HIS 80 -0.339 -8.063 -15.810 598 HD2 HIS 80 HD2 HIS 80 -2.090 -5.539 -12.990 599 HE1 HIS 80 HE1 HIS 80 0.691 -5.776 -16.157 600 H GLY 81 H GLY 81 -4.811 -8.925 -12.937 601 1HA GLY 81 2HA GLY 81 -6.794 -10.618 -13.160 602 2HA GLY 81 1HA GLY 81 -5.499 -11.801 -13.340 603 H SER 82 H SER 82 -5.057 -12.860 -11.473 604 HA SER 82 HA SER 82 -5.248 -11.331 -8.907 605 1HB SER 82 2HB SER 82 -6.039 -13.479 -7.849 606 2HB SER 82 1HB SER 82 -7.182 -12.773 -8.989 607 HG SER 82 HG SER 82 -6.913 -15.004 -9.355 608 H GLU 83 H GLU 83 -3.884 -14.305 -10.398 609 HA GLU 83 HA GLU 83 -1.957 -14.825 -8.369 610 1HB GLU 83 2HB GLU 83 -2.617 -15.891 -10.927 611 2HB GLU 83 1HB GLU 83 -0.883 -15.568 -10.925 612 1HG GLU 83 2HG GLU 83 -2.198 -16.960 -8.596 613 2HG GLU 83 1HG GLU 83 -1.689 -17.864 -10.021 614 H LEU 84 H LEU 84 -0.416 -13.434 -7.703 615 HA LEU 84 HA LEU 84 1.235 -12.028 -9.750 616 1HB LEU 84 2HB LEU 84 -0.083 -10.771 -7.326 617 2HB LEU 84 1HB LEU 84 1.215 -10.001 -8.236 618 HG LEU 84 HG LEU 84 -1.187 -11.008 -9.723 619 1HD1 LEU 84 1HD1 LEU 84 -2.275 -8.796 -9.369 620 2HD1 LEU 84 2HD1 LEU 84 -1.038 -8.403 -8.176 621 3HD1 LEU 84 3HD1 LEU 84 -2.160 -9.729 -7.878 622 1HD2 LEU 84 1HD2 LEU 84 0.411 -8.472 -10.114 623 2HD2 LEU 84 2HD2 LEU 84 -0.556 -9.349 -11.300 624 3HD2 LEU 84 3HD2 LEU 84 0.975 -10.020 -10.739 625 H ARG 85 H ARG 85 3.250 -11.059 -8.623 626 HA ARG 85 HA ARG 85 4.161 -12.883 -6.424 627 1HB ARG 85 2HB ARG 85 5.234 -12.530 -9.057 628 2HB ARG 85 1HB ARG 85 6.398 -11.887 -7.899 629 1HG ARG 85 2HG ARG 85 6.831 -13.936 -6.993 630 2HG ARG 85 1HG ARG 85 5.156 -14.467 -7.145 631 1HD ARG 85 2HD ARG 85 6.570 -14.062 -9.711 632 2HD ARG 85 1HD ARG 85 7.190 -15.382 -8.720 633 HE ARG 85 HE ARG 85 5.292 -16.577 -9.410 634 1HH1 ARG 85 2HH1 ARG 85 4.704 -13.872 -11.035 635 2HH1 ARG 85 1HH1 ARG 85 3.009 -13.743 -10.706 636 1HH2 ARG 85 1HH2 ARG 85 3.045 -16.134 -8.187 637 2HH2 ARG 85 2HH2 ARG 85 2.069 -15.026 -9.091 638 H LEU 86 H LEU 86 5.433 -11.910 -4.784 639 HA LEU 86 HA LEU 86 5.321 -8.932 -4.756 640 1HB LEU 86 2HB LEU 86 4.350 -10.485 -2.872 641 2HB LEU 86 1HB LEU 86 6.033 -10.588 -2.354 642 HG LEU 86 HG LEU 86 5.701 -7.881 -2.846 643 1HD1 LEU 86 1HD1 LEU 86 3.640 -7.286 -1.581 644 2HD1 LEU 86 2HD1 LEU 86 3.199 -8.992 -1.540 645 3HD1 LEU 86 3HD1 LEU 86 3.280 -8.139 -3.081 646 1HD2 LEU 86 1HD2 LEU 86 5.251 -9.280 -0.195 647 2HD2 LEU 86 2HD2 LEU 86 5.882 -7.653 -0.444 648 3HD2 LEU 86 3HD2 LEU 86 6.839 -9.053 -0.927 649 H ILE 87 H ILE 87 7.154 -7.739 -4.755 650 HA ILE 87 HA ILE 87 9.759 -8.955 -4.059 651 HB ILE 87 HB ILE 87 9.609 -9.437 -6.441 652 1HG1 ILE 87 2HG1 ILE 87 11.298 -6.934 -6.180 653 2HG1 ILE 87 1HG1 ILE 87 11.761 -8.469 -5.448 654 1HG2 ILE 87 1HG2 ILE 87 9.052 -6.478 -6.816 655 2HG2 ILE 87 2HG2 ILE 87 7.845 -7.756 -6.951 656 3HG2 ILE 87 3HG2 ILE 87 9.185 -7.685 -8.094 657 1HD1 ILE 87 1HD1 ILE 87 11.005 -8.991 -8.153 658 2HD1 ILE 87 2HD1 ILE 87 12.599 -9.157 -7.415 659 3HD1 ILE 87 3HD1 ILE 87 12.125 -7.629 -8.155 660 HA PRO 88 HA PRO 88 10.093 -4.852 -2.415 661 1HB PRO 88 2HB PRO 88 12.716 -5.052 -1.592 662 2HB PRO 88 1HB PRO 88 11.346 -5.745 -0.708 663 1HG PRO 88 2HG PRO 88 13.384 -7.124 -2.397 664 2HG PRO 88 1HG PRO 88 12.453 -7.749 -1.026 665 1HD PRO 88 2HD PRO 88 11.907 -8.268 -3.740 666 2HD PRO 88 1HD PRO 88 10.787 -8.544 -2.391 667 H ARG 89 H ARG 89 9.974 -3.586 -4.315 668 HA ARG 89 HA ARG 89 10.742 -2.136 -5.971 669 1HB ARG 89 2HB ARG 89 12.851 -2.246 -3.972 670 2HB ARG 89 1HB ARG 89 13.520 -1.981 -5.582 671 1HG ARG 89 2HG ARG 89 11.163 -0.401 -4.538 672 2HG ARG 89 1HG ARG 89 12.831 0.120 -4.293 673 1HD ARG 89 2HD ARG 89 13.063 0.776 -6.450 674 2HD ARG 89 1HD ARG 89 12.248 -0.660 -7.067 675 HE ARG 89 HE ARG 89 10.955 1.899 -6.371 676 1HH1 ARG 89 2HH1 ARG 89 10.546 0.356 -8.940 677 2HH1 ARG 89 1HH1 ARG 89 8.973 -0.324 -8.692 678 1HH2 ARG 89 1HH2 ARG 89 8.975 0.251 -5.269 679 2HH2 ARG 89 2HH2 ARG 89 8.083 -0.382 -6.611 680 H ASP 90 H ASP 90 10.321 -3.621 -7.661 681 HA ASP 90 HA ASP 90 12.477 -5.454 -8.508 682 1HB ASP 90 2HB ASP 90 10.882 -6.497 -9.869 683 2HB ASP 90 1HB ASP 90 9.912 -5.944 -8.509 684 H ARG 91 H ARG 91 13.314 -5.408 -10.703 685 HA ARG 91 HA ARG 91 13.601 -2.629 -11.716 686 1HB ARG 91 2HB ARG 91 15.384 -4.847 -11.429 687 2HB ARG 91 1HB ARG 91 15.235 -4.498 -13.152 688 1HG ARG 91 2HG ARG 91 15.631 -2.232 -11.216 689 2HG ARG 91 1HG ARG 91 17.018 -3.201 -11.715 690 1HD ARG 91 2HD ARG 91 17.042 -1.590 -13.382 691 2HD ARG 91 1HD ARG 91 15.996 -2.793 -14.138 692 HE ARG 91 HE ARG 91 14.093 -1.343 -13.037 693 1HH1 ARG 91 2HH1 ARG 91 15.125 -0.518 -15.760 694 2HH1 ARG 91 1HH1 ARG 91 15.413 1.172 -15.522 695 1HH2 ARG 91 1HH2 ARG 91 15.323 0.966 -12.054 696 2HH2 ARG 91 2HH2 ARG 91 15.527 2.017 -13.416 697 H VAL 92 H VAL 92 11.917 -2.206 -13.121 698 HA VAL 92 HA VAL 92 11.722 -3.942 -15.513 699 HB VAL 92 HB VAL 92 9.956 -4.779 -14.024 700 1HG1 VAL 92 1HG1 VAL 92 8.289 -2.365 -14.136 701 2HG1 VAL 92 2HG1 VAL 92 9.751 -2.142 -13.176 702 3HG1 VAL 92 3HG1 VAL 92 8.622 -3.432 -12.773 703 1HG2 VAL 92 1HG2 VAL 92 8.028 -4.379 -15.561 704 2HG2 VAL 92 2HG2 VAL 92 9.516 -4.756 -16.428 705 3HG2 VAL 92 3HG2 VAL 92 8.947 -3.090 -16.336 706 H GLY 93 H GLY 93 12.501 -2.380 -16.892 707 1HA GLY 93 2HA GLY 93 12.406 -0.515 -18.308 708 2HA GLY 93 1HA GLY 93 10.722 -0.337 -17.824 709 H HIS 94 HN HIS 94 10.268 0.878 -15.852 710 HA HIS 94 HA HIS 94 10.524 2.701 -14.424 711 1HB HIS 94 2HB HIS 94 13.282 1.521 -14.479 712 2HB HIS 94 1HB HIS 94 13.056 3.094 -13.718 713 HD1 HIS 94 HD1 HIS 94 11.223 -0.262 -13.645 714 HD2 HIS 94 HD2 HIS 94 12.397 2.781 -11.053 715 HE1 HIS 94 HE1 HIS 94 10.492 -0.977 -11.332 Start of MODEL 17 1 1H MET 1 1H MET 1 -25.674 -16.332 -16.322 2 2H MET 1 2H MET 1 -26.305 -15.281 -17.496 3 3H MET 1 3H MET 1 -26.128 -16.935 -17.840 4 HA MET 1 HA MET 1 -27.763 -17.464 -16.105 5 1HB MET 1 2HB MET 1 -27.226 -14.970 -15.161 6 2HB MET 1 1HB MET 1 -28.704 -14.652 -16.068 7 1HG MET 1 2HG MET 1 -29.970 -15.697 -14.525 8 2HG MET 1 1HG MET 1 -28.926 -17.118 -14.548 9 1HE MET 1 1HE MET 1 -29.646 -14.800 -11.053 10 2HE MET 1 2HE MET 1 -30.565 -15.738 -12.223 11 3HE MET 1 3HE MET 1 -30.123 -14.075 -12.596 12 H SER 2 H SER 2 -29.590 -18.162 -17.129 13 HA SER 2 HA SER 2 -30.163 -17.087 -19.819 14 1HB SER 2 2HB SER 2 -30.808 -19.570 -18.308 15 2HB SER 2 1HB SER 2 -31.976 -19.057 -19.525 16 HG SER 2 HG SER 2 -30.556 -20.187 -20.690 17 H GLY 3 H GLY 3 -31.812 -15.682 -20.219 18 1HA GLY 3 2HA GLY 3 -33.962 -14.691 -19.991 19 2HA GLY 3 1HA GLY 3 -34.236 -15.681 -18.557 20 H GLY 4 H GLY 4 -32.383 -12.848 -19.698 21 1HA GLY 4 2HA GLY 4 -32.868 -10.825 -18.137 22 2HA GLY 4 1HA GLY 4 -32.245 -11.885 -16.873 23 H THR 5 H THR 5 -30.020 -12.276 -16.754 24 HA THR 5 HA THR 5 -28.334 -10.498 -18.457 25 HB THR 5 HB THR 5 -26.619 -10.903 -16.613 26 HG1 THR 5 HG1 THR 5 -27.173 -12.073 -14.942 27 1HG2 THR 5 1HG2 THR 5 -28.151 -9.553 -14.908 28 2HG2 THR 5 2HG2 THR 5 -29.221 -9.472 -16.307 29 3HG2 THR 5 3HG2 THR 5 -27.586 -8.818 -16.408 30 H ALA 6 H ALA 6 -28.229 -11.988 -20.259 31 HA ALA 6 HA ALA 6 -27.234 -14.712 -19.921 32 1HB ALA 6 1HB ALA 6 -28.557 -14.404 -21.855 33 2HB ALA 6 2HB ALA 6 -26.910 -14.477 -22.481 34 3HB ALA 6 3HB ALA 6 -27.715 -12.919 -22.298 35 H ALA 7 H ALA 7 -25.131 -15.351 -19.811 36 HA ALA 7 HA ALA 7 -22.794 -15.155 -19.599 37 1HB ALA 7 1HB ALA 7 -22.818 -15.316 -22.000 38 2HB ALA 7 2HB ALA 7 -21.715 -14.001 -21.597 39 3HB ALA 7 3HB ALA 7 -23.344 -13.641 -22.167 40 H THR 8 H THR 8 -23.349 -13.771 -17.661 41 HA THR 8 HA THR 8 -22.347 -10.977 -18.059 42 HB THR 8 HB THR 8 -24.552 -11.926 -16.201 43 HG1 THR 8 HG1 THR 8 -25.276 -11.758 -18.284 44 1HG2 THR 8 1HG2 THR 8 -22.897 -9.885 -15.626 45 2HG2 THR 8 2HG2 THR 8 -24.617 -9.836 -15.251 46 3HG2 THR 8 3HG2 THR 8 -24.009 -9.042 -16.700 47 H THR 9 H THR 9 -21.059 -10.133 -16.388 48 HA THR 9 HA THR 9 -20.085 -12.135 -14.393 49 HB THR 9 HB THR 9 -18.605 -9.969 -15.916 50 HG1 THR 9 HG1 THR 9 -18.176 -11.672 -17.053 51 1HG2 THR 9 1HG2 THR 9 -16.621 -10.700 -14.554 52 2HG2 THR 9 2HG2 THR 9 -17.731 -11.581 -13.506 53 3HG2 THR 9 3HG2 THR 9 -17.838 -9.824 -13.628 54 H ALA 10 H ALA 10 -20.003 -11.446 -12.243 55 HA ALA 10 HA ALA 10 -21.369 -8.909 -11.606 56 1HB ALA 10 1HB ALA 10 -20.697 -11.414 -10.131 57 2HB ALA 10 2HB ALA 10 -22.208 -10.526 -10.196 58 3HB ALA 10 3HB ALA 10 -20.892 -9.943 -9.191 59 H GLY 11 H GLY 11 -19.972 -7.189 -11.801 60 1HA GLY 11 2HA GLY 11 -17.187 -7.371 -10.873 61 2HA GLY 11 1HA GLY 11 -17.959 -5.961 -11.595 62 H SER 12 H SER 12 -17.835 -7.875 -8.598 63 HA SER 12 HA SER 12 -18.828 -5.499 -7.098 64 1HB SER 12 2HB SER 12 -18.966 -8.429 -6.699 65 2HB SER 12 1HB SER 12 -18.673 -7.485 -5.242 66 HG SER 12 HG SER 12 -20.948 -7.856 -5.953 67 H LYS 13 H LYS 13 -16.426 -8.130 -6.567 68 HA LYS 13 HA LYS 13 -14.444 -6.059 -5.761 69 1HB LYS 13 2HB LYS 13 -14.954 -8.580 -4.151 70 2HB LYS 13 1HB LYS 13 -13.821 -7.288 -3.762 71 1HG LYS 13 2HG LYS 13 -16.182 -5.900 -4.025 72 2HG LYS 13 1HG LYS 13 -16.733 -7.427 -3.336 73 1HD LYS 13 2HD LYS 13 -14.293 -6.378 -2.071 74 2HD LYS 13 1HD LYS 13 -15.696 -5.327 -1.880 75 1HE LYS 13 2HE LYS 13 -16.820 -6.838 -0.577 76 2HE LYS 13 1HE LYS 13 -16.177 -8.226 -1.454 77 1HZ LYS 13 1HZ LYS 13 -14.776 -6.587 0.583 78 2HZ LYS 13 2HZ LYS 13 -14.004 -7.757 -0.377 79 3HZ LYS 13 3HZ LYS 13 -15.227 -8.217 0.710 80 H VAL 14 H VAL 14 -12.264 -6.731 -6.038 81 HA VAL 14 HA VAL 14 -11.922 -9.183 -7.724 82 HB VAL 14 HB VAL 14 -9.836 -7.983 -8.568 83 1HG1 VAL 14 1HG1 VAL 14 -11.689 -8.067 -10.042 84 2HG1 VAL 14 2HG1 VAL 14 -11.237 -6.364 -9.991 85 3HG1 VAL 14 3HG1 VAL 14 -12.624 -6.936 -9.065 86 1HG2 VAL 14 1HG2 VAL 14 -9.282 -5.930 -7.801 87 2HG2 VAL 14 2HG2 VAL 14 -10.439 -6.205 -6.502 88 3HG2 VAL 14 3HG2 VAL 14 -10.935 -5.343 -7.959 89 H THR 15 H THR 15 -10.454 -10.707 -7.025 90 HA THR 15 HA THR 15 -9.058 -10.154 -4.450 91 HB THR 15 HB THR 15 -10.572 -12.130 -4.563 92 HG1 THR 15 HG1 THR 15 -9.152 -12.637 -3.106 93 1HG2 THR 15 1HG2 THR 15 -10.565 -13.362 -6.446 94 2HG2 THR 15 2HG2 THR 15 -9.000 -14.002 -5.946 95 3HG2 THR 15 3HG2 THR 15 -9.079 -12.597 -7.008 96 H PHE 16 H PHE 16 -6.813 -10.745 -4.188 97 HA PHE 16 HA PHE 16 -5.295 -11.161 -6.730 98 1HB PHE 16 2HB PHE 16 -4.565 -9.173 -4.559 99 2HB PHE 16 1HB PHE 16 -3.623 -9.511 -6.006 100 HD1 PHE 16 HD1 PHE 16 -6.262 -7.544 -4.593 101 HD2 PHE 16 HD2 PHE 16 -4.771 -9.135 -8.293 102 HE1 PHE 16 HE1 PHE 16 -7.579 -5.860 -5.848 103 HE2 PHE 16 HE2 PHE 16 -6.089 -7.451 -9.549 104 HZ PHE 16 HZ PHE 16 -7.491 -5.814 -8.325 105 H LYS 17 H LYS 17 -3.559 -12.533 -6.532 106 HA LYS 17 HA LYS 17 -2.935 -13.566 -3.791 107 1HB LYS 17 2HB LYS 17 -3.699 -14.956 -6.199 108 2HB LYS 17 1HB LYS 17 -2.063 -15.431 -5.745 109 1HG LYS 17 2HG LYS 17 -2.732 -16.260 -3.662 110 2HG LYS 17 1HG LYS 17 -4.207 -15.294 -3.642 111 1HD LYS 17 2HD LYS 17 -3.643 -17.751 -5.325 112 2HD LYS 17 1HD LYS 17 -4.863 -17.573 -4.064 113 1HE LYS 17 2HE LYS 17 -5.420 -15.481 -5.821 114 2HE LYS 17 1HE LYS 17 -4.997 -16.819 -6.886 115 1HZ LYS 17 1HZ LYS 17 -7.271 -17.046 -6.505 116 2HZ LYS 17 2HZ LYS 17 -7.136 -16.693 -4.848 117 3HZ LYS 17 3HZ LYS 17 -6.573 -18.178 -5.454 118 H ILE 18 H ILE 18 -1.076 -12.487 -3.256 119 HA ILE 18 HA ILE 18 1.045 -12.221 -5.334 120 HB ILE 18 HB ILE 18 0.792 -10.828 -2.650 121 1HG1 ILE 18 2HG1 ILE 18 0.542 -8.952 -4.692 122 2HG1 ILE 18 1HG1 ILE 18 -0.404 -10.320 -5.278 123 1HG2 ILE 18 1HG2 ILE 18 2.684 -10.523 -4.992 124 2HG2 ILE 18 2HG2 ILE 18 3.093 -10.902 -3.321 125 3HG2 ILE 18 3HG2 ILE 18 2.502 -9.295 -3.739 126 1HD1 ILE 18 1HD1 ILE 18 -1.838 -10.286 -3.405 127 2HD1 ILE 18 2HD1 ILE 18 -1.598 -8.578 -3.770 128 3HD1 ILE 18 3HD1 ILE 18 -0.708 -9.330 -2.447 129 H THR 19 H THR 19 2.672 -13.662 -5.242 130 HA THR 19 HA THR 19 3.322 -14.946 -2.615 131 HB THR 19 HB THR 19 3.980 -16.061 -5.356 132 HG1 THR 19 HG1 THR 19 1.897 -16.339 -5.464 133 1HG2 THR 19 1HG2 THR 19 3.525 -17.862 -3.082 134 2HG2 THR 19 2HG2 THR 19 4.871 -16.749 -2.835 135 3HG2 THR 19 3HG2 THR 19 4.858 -17.820 -4.236 136 H LEU 20 H LEU 20 5.350 -14.522 -1.823 137 HA LEU 20 HA LEU 20 7.095 -12.649 -3.115 138 1HB LEU 20 2HB LEU 20 6.966 -13.976 -0.584 139 2HB LEU 20 1HB LEU 20 8.584 -14.219 -1.239 140 HG LEU 20 HG LEU 20 7.223 -11.515 -1.125 141 1HD1 LEU 20 1HD1 LEU 20 7.994 -12.930 1.082 142 2HD1 LEU 20 2HD1 LEU 20 8.019 -11.170 0.981 143 3HD1 LEU 20 3HD1 LEU 20 9.492 -12.091 0.681 144 1HD2 LEU 20 1HD2 LEU 20 10.169 -12.163 -1.366 145 2HD2 LEU 20 2HD2 LEU 20 9.359 -10.635 -1.709 146 3HD2 LEU 20 3HD2 LEU 20 9.131 -12.014 -2.784 147 H THR 21 H THR 21 8.107 -13.135 -5.001 148 HA THR 21 HA THR 21 8.876 -15.863 -5.691 149 HB THR 21 HB THR 21 8.148 -14.230 -7.415 150 HG1 THR 21 HG1 THR 21 9.317 -15.493 -8.585 151 1HG2 THR 21 1HG2 THR 21 10.583 -12.783 -7.780 152 2HG2 THR 21 2HG2 THR 21 10.065 -12.559 -6.110 153 3HG2 THR 21 3HG2 THR 21 8.977 -12.143 -7.432 154 H SER 22 H SER 22 10.474 -13.077 -4.269 155 HA SER 22 HA SER 22 13.174 -14.143 -4.655 156 1HB SER 22 2HB SER 22 11.962 -11.689 -3.618 157 2HB SER 22 1HB SER 22 13.307 -12.243 -2.625 158 HG SER 22 HG SER 22 13.836 -10.865 -4.480 159 H ASP 23 H ASP 23 10.749 -14.070 -2.059 160 HA ASP 23 HA ASP 23 12.578 -15.731 -0.377 161 1HB ASP 23 2HB ASP 23 11.385 -13.440 0.370 162 2HB ASP 23 1HB ASP 23 10.088 -14.566 0.775 163 HA PRO 24 HA PRO 24 9.615 -18.907 -1.552 164 1HB PRO 24 2HB PRO 24 11.263 -20.982 -0.813 165 2HB PRO 24 1HB PRO 24 11.372 -20.148 -2.372 166 1HG PRO 24 2HG PRO 24 13.164 -19.931 0.002 167 2HG PRO 24 1HG PRO 24 13.528 -19.656 -1.710 168 1HD PRO 24 2HD PRO 24 13.069 -17.647 0.229 169 2HD PRO 24 1HD PRO 24 13.102 -17.412 -1.532 170 H LYS 25 H LYS 25 11.258 -18.412 1.528 171 HA LYS 25 HA LYS 25 9.873 -20.371 3.093 172 1HB LYS 25 2HB LYS 25 11.931 -18.813 3.660 173 2HB LYS 25 1HB LYS 25 10.679 -17.721 4.253 174 1HG LYS 25 2HG LYS 25 10.480 -20.576 5.084 175 2HG LYS 25 1HG LYS 25 11.771 -19.619 5.810 176 1HD LYS 25 2HD LYS 25 9.487 -17.967 5.860 177 2HD LYS 25 1HD LYS 25 8.931 -19.560 6.371 178 1HE LYS 25 2HE LYS 25 10.256 -19.571 8.261 179 2HE LYS 25 1HE LYS 25 11.494 -18.552 7.528 180 1HZ LYS 25 1HZ LYS 25 8.851 -17.377 7.959 181 2HZ LYS 25 2HZ LYS 25 10.389 -16.661 8.051 182 3HZ LYS 25 3HZ LYS 25 9.823 -17.632 9.326 183 H LEU 26 H LEU 26 9.185 -16.898 2.531 184 HA LEU 26 HA LEU 26 6.732 -16.915 4.059 185 1HB LEU 26 2HB LEU 26 8.072 -15.019 2.168 186 2HB LEU 26 1HB LEU 26 6.366 -14.766 2.537 187 HG LEU 26 HG LEU 26 8.025 -15.344 4.902 188 1HD1 LEU 26 1HD1 LEU 26 8.785 -12.846 4.851 189 2HD1 LEU 26 2HD1 LEU 26 8.584 -12.992 3.107 190 3HD1 LEU 26 3HD1 LEU 26 9.728 -14.034 3.953 191 1HD2 LEU 26 1HD2 LEU 26 6.720 -12.937 5.255 192 2HD2 LEU 26 2HD2 LEU 26 6.038 -14.518 5.632 193 3HD2 LEU 26 3HD2 LEU 26 5.688 -13.754 4.084 194 HA PRO 27 HA PRO 27 4.218 -18.878 0.964 195 1HB PRO 27 2HB PRO 27 1.860 -18.641 2.359 196 2HB PRO 27 1HB PRO 27 3.092 -19.866 2.710 197 1HG PRO 27 2HG PRO 27 2.435 -17.378 4.219 198 2HG PRO 27 1HG PRO 27 3.139 -18.893 4.805 199 1HD PRO 27 2HD PRO 27 4.561 -16.509 4.277 200 2HD PRO 27 1HD PRO 27 5.277 -18.117 4.522 201 H PHE 28 H PHE 28 1.986 -18.313 -0.098 202 HA PHE 28 HA PHE 28 2.147 -15.589 -1.118 203 1HB PHE 28 2HB PHE 28 0.351 -16.231 -2.610 204 2HB PHE 28 1HB PHE 28 1.493 -17.568 -2.518 205 HD1 PHE 28 HD1 PHE 28 0.919 -19.649 -1.359 206 HD2 PHE 28 HD2 PHE 28 -1.862 -16.380 -1.564 207 HE1 PHE 28 HE1 PHE 28 -0.907 -21.155 -0.621 208 HE2 PHE 28 HE2 PHE 28 -3.686 -17.888 -0.824 209 HZ PHE 28 HZ PHE 28 -3.209 -20.274 -0.353 210 H LYS 29 H LYS 29 0.197 -14.143 -1.180 211 HA LYS 29 HA LYS 29 -1.458 -14.370 1.303 212 1HB LYS 29 2HB LYS 29 0.322 -12.185 0.390 213 2HB LYS 29 1HB LYS 29 -1.270 -11.671 0.948 214 1HG LYS 29 2HG LYS 29 -0.338 -11.761 3.019 215 2HG LYS 29 1HG LYS 29 -0.588 -13.501 2.873 216 1HD LYS 29 2HD LYS 29 1.724 -13.512 1.683 217 2HD LYS 29 1HD LYS 29 1.936 -11.919 2.410 218 1HE LYS 29 2HE LYS 29 2.028 -12.757 4.558 219 2HE LYS 29 1HE LYS 29 0.986 -14.128 4.180 220 1HZ LYS 29 1HZ LYS 29 2.871 -14.998 2.811 221 2HZ LYS 29 2HZ LYS 29 3.154 -14.970 4.486 222 3HZ LYS 29 3HZ LYS 29 3.845 -13.784 3.485 223 H VAL 30 H VAL 30 -3.624 -14.045 0.980 224 HA VAL 30 HA VAL 30 -4.506 -13.325 -1.774 225 HB VAL 30 HB VAL 30 -6.110 -14.523 0.511 226 1HG1 VAL 30 1HG1 VAL 30 -7.591 -13.428 -1.018 227 2HG1 VAL 30 2HG1 VAL 30 -7.637 -15.139 -1.439 228 3HG1 VAL 30 3HG1 VAL 30 -6.692 -14.016 -2.416 229 1HG2 VAL 30 1HG2 VAL 30 -5.406 -16.581 -0.127 230 2HG2 VAL 30 2HG2 VAL 30 -4.102 -15.748 -0.973 231 3HG2 VAL 30 3HG2 VAL 30 -5.573 -16.193 -1.839 232 H LEU 31 H LEU 31 -5.397 -11.348 -2.136 233 HA LEU 31 HA LEU 31 -6.349 -9.777 0.229 234 1HB LEU 31 2HB LEU 31 -4.378 -9.139 -1.803 235 2HB LEU 31 1HB LEU 31 -5.695 -7.968 -1.828 236 HG LEU 31 HG LEU 31 -4.898 -8.637 0.896 237 1HD1 LEU 31 1HD1 LEU 31 -2.761 -8.572 -0.899 238 2HD1 LEU 31 2HD1 LEU 31 -2.659 -8.336 0.845 239 3HD1 LEU 31 3HD1 LEU 31 -2.802 -6.942 -0.226 240 1HD2 LEU 31 1HD2 LEU 31 -5.077 -6.103 -0.761 241 2HD2 LEU 31 2HD2 LEU 31 -4.702 -6.113 0.961 242 3HD2 LEU 31 3HD2 LEU 31 -6.263 -6.705 0.396 243 H SER 32 H SER 32 -8.544 -9.781 0.116 244 HA SER 32 HA SER 32 -9.857 -9.612 -2.556 245 1HB SER 32 2HB SER 32 -10.508 -10.922 -0.041 246 2HB SER 32 1HB SER 32 -11.836 -9.901 -0.586 247 HG SER 32 HG SER 32 -11.721 -12.138 -1.427 248 H VAL 33 H VAL 33 -10.174 -7.527 -3.161 249 HA VAL 33 HA VAL 33 -11.477 -5.676 -1.221 250 HB VAL 33 HB VAL 33 -10.004 -3.820 -2.136 251 1HG1 VAL 33 1HG1 VAL 33 -8.233 -4.251 -0.586 252 2HG1 VAL 33 2HG1 VAL 33 -8.437 -5.997 -0.737 253 3HG1 VAL 33 3HG1 VAL 33 -9.668 -5.033 0.078 254 1HG2 VAL 33 1HG2 VAL 33 -9.286 -5.356 -4.114 255 2HG2 VAL 33 2HG2 VAL 33 -8.128 -6.032 -2.970 256 3HG2 VAL 33 3HG2 VAL 33 -8.064 -4.319 -3.381 257 HA PRO 34 HA PRO 34 -14.016 -4.647 -4.658 258 1HB PRO 34 2HB PRO 34 -14.623 -2.028 -4.060 259 2HB PRO 34 1HB PRO 34 -15.333 -3.421 -3.225 260 1HG PRO 34 2HG PRO 34 -13.206 -1.545 -2.282 261 2HG PRO 34 1HG PRO 34 -14.399 -2.455 -1.339 262 1HD PRO 34 2HD PRO 34 -11.696 -3.160 -1.631 263 2HD PRO 34 1HD PRO 34 -12.987 -4.250 -1.084 264 H GLU 35 H GLU 35 -14.114 -3.301 -6.612 265 HA GLU 35 HA GLU 35 -11.599 -2.740 -7.802 266 1HB GLU 35 2HB GLU 35 -14.433 -1.985 -8.495 267 2HB GLU 35 1HB GLU 35 -13.084 -1.377 -9.456 268 1HG GLU 35 2HG GLU 35 -13.456 -3.338 -10.602 269 2HG GLU 35 1HG GLU 35 -12.373 -3.966 -9.361 270 H SER 36 H SER 36 -13.732 -0.671 -5.902 271 HA SER 36 HA SER 36 -12.683 1.875 -6.638 272 1HB SER 36 2HB SER 36 -14.357 0.790 -4.516 273 2HB SER 36 1HB SER 36 -13.289 2.053 -3.911 274 HG SER 36 HG SER 36 -15.338 2.777 -4.821 275 H THR 37 H THR 37 -11.571 -0.486 -4.198 276 HA THR 37 HA THR 37 -9.530 1.172 -3.050 277 HB THR 37 HB THR 37 -9.814 -1.842 -3.241 278 HG1 THR 37 HG1 THR 37 -11.183 -1.323 -1.738 279 1HG2 THR 37 1HG2 THR 37 -7.408 -1.067 -3.006 280 2HG2 THR 37 2HG2 THR 37 -8.002 -2.061 -1.678 281 3HG2 THR 37 3HG2 THR 37 -7.881 -0.312 -1.484 282 HA PRO 38 HA PRO 38 -6.781 1.111 -6.547 283 1HB PRO 38 2HB PRO 38 -4.857 2.688 -5.379 284 2HB PRO 38 1HB PRO 38 -6.356 3.323 -6.079 285 1HG PRO 38 2HG PRO 38 -5.614 3.000 -3.210 286 2HG PRO 38 1HG PRO 38 -6.749 4.138 -3.954 287 1HD PRO 38 2HD PRO 38 -7.438 1.761 -2.574 288 2HD PRO 38 1HD PRO 38 -8.524 2.741 -3.582 289 H PHE 39 H PHE 39 -4.474 0.486 -6.955 290 HA PHE 39 HA PHE 39 -3.739 -1.909 -5.541 291 1HB PHE 39 2HB PHE 39 -3.165 -1.091 -7.990 292 2HB PHE 39 1HB PHE 39 -1.744 -0.406 -7.202 293 HD1 PHE 39 HD1 PHE 39 -3.735 -3.595 -7.033 294 HD2 PHE 39 HD2 PHE 39 0.147 -1.762 -7.191 295 HE1 PHE 39 HE1 PHE 39 -2.675 -5.836 -7.000 296 HE2 PHE 39 HE2 PHE 39 1.206 -4.003 -7.159 297 HZ PHE 39 HZ PHE 39 -0.206 -6.040 -7.063 298 H THR 40 H THR 40 -3.103 1.435 -4.912 299 HA THR 40 HA THR 40 -0.585 1.253 -3.568 300 HB THR 40 HB THR 40 -1.434 3.292 -2.291 301 HG1 THR 40 HG1 THR 40 -3.466 3.757 -2.419 302 1HG2 THR 40 1HG2 THR 40 -0.195 3.704 -4.276 303 2HG2 THR 40 2HG2 THR 40 -1.658 4.677 -4.432 304 3HG2 THR 40 3HG2 THR 40 -1.516 3.151 -5.305 305 H ALA 41 H ALA 41 -3.935 0.888 -2.392 306 HA ALA 41 HA ALA 41 -3.115 0.243 0.330 307 1HB ALA 41 1HB ALA 41 -5.786 -0.603 -0.691 308 2HB ALA 41 2HB ALA 41 -5.442 1.126 -0.689 309 3HB ALA 41 3HB ALA 41 -5.364 0.211 0.816 310 H VAL 42 H VAL 42 -4.045 -1.602 -2.571 311 HA VAL 42 HA VAL 42 -4.179 -4.189 -1.352 312 HB VAL 42 HB VAL 42 -3.351 -3.432 -4.177 313 1HG1 VAL 42 1HG1 VAL 42 -4.216 -6.071 -2.957 314 2HG1 VAL 42 2HG1 VAL 42 -2.661 -5.708 -3.704 315 3HG1 VAL 42 3HG1 VAL 42 -4.119 -5.774 -4.693 316 1HG2 VAL 42 1HG2 VAL 42 -5.738 -2.897 -3.035 317 2HG2 VAL 42 2HG2 VAL 42 -6.026 -4.568 -3.521 318 3HG2 VAL 42 3HG2 VAL 42 -5.582 -3.362 -4.729 319 H LEU 43 H LEU 43 -1.458 -2.524 -2.975 320 HA LEU 43 HA LEU 43 0.490 -4.575 -2.491 321 1HB LEU 43 2HB LEU 43 0.656 -2.620 -4.132 322 2HB LEU 43 1HB LEU 43 1.069 -1.613 -2.745 323 HG LEU 43 HG LEU 43 2.610 -4.110 -2.851 324 1HD1 LEU 43 1HD1 LEU 43 2.205 -3.351 -5.329 325 2HD1 LEU 43 2HD1 LEU 43 3.842 -3.748 -4.807 326 3HD1 LEU 43 3HD1 LEU 43 3.339 -2.062 -4.930 327 1HD2 LEU 43 1HD2 LEU 43 3.045 -2.123 -1.374 328 2HD2 LEU 43 2HD2 LEU 43 3.457 -1.195 -2.816 329 3HD2 LEU 43 3HD2 LEU 43 4.439 -2.583 -2.350 330 H LYS 44 H LYS 44 -0.584 -1.781 -0.587 331 HA LYS 44 HA LYS 44 1.489 -1.838 1.384 332 1HB LYS 44 2HB LYS 44 -0.586 -0.172 0.898 333 2HB LYS 44 1HB LYS 44 -1.251 -1.080 2.257 334 1HG LYS 44 2HG LYS 44 0.699 -0.550 3.620 335 2HG LYS 44 1HG LYS 44 1.472 0.252 2.254 336 1HD LYS 44 2HD LYS 44 -1.108 1.406 2.531 337 2HD LYS 44 1HD LYS 44 -0.396 1.348 4.143 338 1HE LYS 44 2HE LYS 44 1.400 2.706 3.548 339 2HE LYS 44 1HE LYS 44 1.278 2.291 1.840 340 1HZ LYS 44 1HZ LYS 44 0.215 4.221 1.641 341 2HZ LYS 44 2HZ LYS 44 -0.038 4.373 3.314 342 3HZ LYS 44 3HZ LYS 44 -1.112 3.455 2.369 343 H PHE 45 H PHE 45 -1.791 -3.292 1.431 344 HA PHE 45 HA PHE 45 -1.504 -4.606 3.951 345 1HB PHE 45 2HB PHE 45 -3.551 -4.299 2.171 346 2HB PHE 45 1HB PHE 45 -3.134 -5.991 1.905 347 HD1 PHE 45 HD1 PHE 45 -4.218 -7.558 3.233 348 HD2 PHE 45 HD2 PHE 45 -3.528 -3.617 4.798 349 HE1 PHE 45 HE1 PHE 45 -5.400 -8.180 5.322 350 HE2 PHE 45 HE2 PHE 45 -4.709 -4.240 6.888 351 HZ PHE 45 HZ PHE 45 -5.645 -6.522 7.149 352 H ALA 46 H ALA 46 -0.871 -5.752 0.623 353 HA ALA 46 HA ALA 46 -0.109 -8.419 1.302 354 1HB ALA 46 1HB ALA 46 1.024 -6.756 -0.967 355 2HB ALA 46 2HB ALA 46 -0.557 -7.535 -1.025 356 3HB ALA 46 3HB ALA 46 0.904 -8.514 -0.890 357 H ALA 47 H ALA 47 1.843 -5.439 0.992 358 HA ALA 47 HA ALA 47 4.374 -6.668 1.571 359 1HB ALA 47 1HB ALA 47 3.307 -3.926 1.350 360 2HB ALA 47 2HB ALA 47 4.840 -4.585 0.781 361 3HB ALA 47 3HB ALA 47 4.664 -4.086 2.463 362 H GLU 48 H GLU 48 1.876 -5.212 3.646 363 HA GLU 48 HA GLU 48 3.323 -5.210 6.099 364 1HB GLU 48 2HB GLU 48 0.524 -4.983 5.261 365 2HB GLU 48 1HB GLU 48 0.700 -5.796 6.816 366 1HG GLU 48 2HG GLU 48 0.712 -3.625 7.575 367 2HG GLU 48 1HG GLU 48 2.432 -3.782 7.219 368 H GLU 49 H GLU 49 1.265 -7.736 4.629 369 HA GLU 49 HA GLU 49 1.710 -9.641 6.774 370 1HB GLU 49 2HB GLU 49 0.495 -9.744 4.030 371 2HB GLU 49 1HB GLU 49 0.885 -11.254 4.851 372 1HG GLU 49 2HG GLU 49 -1.195 -10.992 5.757 373 2HG GLU 49 1HG GLU 49 -0.348 -9.919 6.871 374 H PHE 50 H PHE 50 3.419 -8.796 3.826 375 HA PHE 50 HA PHE 50 5.048 -11.244 3.834 376 1HB PHE 50 2HB PHE 50 4.747 -8.854 2.091 377 2HB PHE 50 1HB PHE 50 6.329 -9.630 2.096 378 HD1 PHE 50 HD1 PHE 50 3.322 -9.592 0.405 379 HD2 PHE 50 HD2 PHE 50 6.056 -12.379 2.198 380 HE1 PHE 50 HE1 PHE 50 2.450 -11.392 -1.060 381 HE2 PHE 50 HE2 PHE 50 5.183 -14.177 0.733 382 HZ PHE 50 HZ PHE 50 3.381 -13.684 -0.895 383 H LYS 51 H LYS 51 5.096 -8.585 5.796 384 HA LYS 51 HA LYS 51 6.698 -7.681 7.230 385 1HB LYS 51 2HB LYS 51 7.902 -10.293 6.409 386 2HB LYS 51 1HB LYS 51 8.948 -9.129 7.221 387 1HG LYS 51 2HG LYS 51 8.068 -9.794 9.181 388 2HG LYS 51 1HG LYS 51 6.528 -9.107 8.667 389 1HD LYS 51 2HD LYS 51 6.384 -11.423 7.325 390 2HD LYS 51 1HD LYS 51 7.442 -11.950 8.633 391 1HE LYS 51 2HE LYS 51 5.832 -11.269 10.303 392 2HE LYS 51 1HE LYS 51 4.816 -10.506 9.080 393 1HZ LYS 51 1HZ LYS 51 3.760 -12.458 9.055 394 2HZ LYS 51 2HZ LYS 51 5.035 -13.283 9.817 395 3HZ LYS 51 3HZ LYS 51 5.073 -13.021 8.140 396 H VAL 52 H VAL 52 6.524 -6.724 4.505 397 HA VAL 52 HA VAL 52 9.301 -5.668 4.208 398 HB VAL 52 HB VAL 52 8.944 -5.663 1.718 399 1HG1 VAL 52 1HG1 VAL 52 10.280 -7.457 2.035 400 2HG1 VAL 52 2HG1 VAL 52 8.823 -8.424 1.816 401 3HG1 VAL 52 3HG1 VAL 52 9.362 -7.999 3.439 402 1HG2 VAL 52 1HG2 VAL 52 6.769 -5.930 1.099 403 2HG2 VAL 52 2HG2 VAL 52 6.348 -6.769 2.589 404 3HG2 VAL 52 3HG2 VAL 52 7.107 -7.652 1.268 405 HA PRO 53 HA PRO 53 7.295 -1.755 4.096 406 1HB PRO 53 2HB PRO 53 9.173 -0.324 2.686 407 2HB PRO 53 1HB PRO 53 9.364 -0.801 4.381 408 1HG PRO 53 2HG PRO 53 10.671 -1.936 1.950 409 2HG PRO 53 1HG PRO 53 11.251 -1.906 3.624 410 1HD PRO 53 2HD PRO 53 10.100 -4.133 2.315 411 2HD PRO 53 1HD PRO 53 10.362 -3.974 4.065 412 H ALA 54 H ALA 54 5.625 -1.094 2.830 413 HA ALA 54 HA ALA 54 5.264 -1.972 0.109 414 1HB ALA 54 1HB ALA 54 3.278 -1.560 1.334 415 2HB ALA 54 2HB ALA 54 3.361 -0.228 0.181 416 3HB ALA 54 3HB ALA 54 3.833 0.029 1.861 417 H ALA 55 H ALA 55 6.424 1.059 1.545 418 HA ALA 55 HA ALA 55 6.414 2.648 -0.833 419 1HB ALA 55 1HB ALA 55 8.035 4.074 0.359 420 2HB ALA 55 2HB ALA 55 8.281 2.800 1.554 421 3HB ALA 55 3HB ALA 55 6.715 3.601 1.428 422 H THR 56 H THR 56 8.787 0.344 0.465 423 HA THR 56 HA THR 56 10.469 0.807 -1.966 424 HB THR 56 HB THR 56 11.436 -0.710 0.449 425 HG1 THR 56 HG1 THR 56 11.366 1.028 1.592 426 1HG2 THR 56 1HG2 THR 56 12.697 -0.534 -1.760 427 2HG2 THR 56 2HG2 THR 56 13.588 -0.025 -0.327 428 3HG2 THR 56 3HG2 THR 56 12.890 1.182 -1.406 429 H SER 57 H SER 57 8.126 -0.765 -2.199 430 HA SER 57 HA SER 57 9.335 -3.346 -2.973 431 1HB SER 57 2HB SER 57 8.484 -3.681 -0.648 432 2HB SER 57 1HB SER 57 6.874 -3.240 -1.205 433 HG SER 57 HG SER 57 7.281 -5.526 -1.192 434 H ALA 58 H ALA 58 8.186 -4.398 -4.619 435 HA ALA 58 HA ALA 58 5.795 -2.972 -5.711 436 1HB ALA 58 1HB ALA 58 7.660 -2.284 -7.087 437 2HB ALA 58 2HB ALA 58 6.732 -3.469 -8.006 438 3HB ALA 58 3HB ALA 58 8.238 -3.945 -7.221 439 H ILE 59 H ILE 59 4.732 -4.447 -7.460 440 HA ILE 59 HA ILE 59 4.920 -7.312 -6.615 441 HB ILE 59 HB ILE 59 2.489 -5.549 -6.906 442 1HG1 ILE 59 2HG1 ILE 59 3.110 -7.716 -4.886 443 2HG1 ILE 59 1HG1 ILE 59 3.679 -6.058 -4.690 444 1HG2 ILE 59 1HG2 ILE 59 1.084 -7.276 -7.460 445 2HG2 ILE 59 2HG2 ILE 59 2.076 -8.484 -6.646 446 3HG2 ILE 59 3HG2 ILE 59 2.531 -7.903 -8.245 447 1HD1 ILE 59 1HD1 ILE 59 0.895 -7.136 -4.556 448 2HD1 ILE 59 2HD1 ILE 59 1.118 -5.507 -5.191 449 3HD1 ILE 59 3HD1 ILE 59 1.669 -5.901 -3.564 450 H ILE 60 H ILE 60 5.400 -8.574 -8.343 451 HA ILE 60 HA ILE 60 4.905 -7.491 -11.070 452 HB ILE 60 HB ILE 60 6.436 -9.280 -11.839 453 1HG1 ILE 60 2HG1 ILE 60 7.389 -9.978 -9.149 454 2HG1 ILE 60 1HG1 ILE 60 5.744 -10.533 -9.462 455 1HG2 ILE 60 1HG2 ILE 60 7.101 -6.965 -10.548 456 2HG2 ILE 60 2HG2 ILE 60 8.267 -8.028 -11.334 457 3HG2 ILE 60 3HG2 ILE 60 7.995 -8.151 -9.597 458 1HD1 ILE 60 1HD1 ILE 60 6.399 -11.858 -11.283 459 2HD1 ILE 60 2HD1 ILE 60 7.736 -12.072 -10.155 460 3HD1 ILE 60 3HD1 ILE 60 7.901 -10.963 -11.517 461 H THR 61 H THR 61 4.345 -9.351 -12.717 462 HA THR 61 HA THR 61 2.034 -10.853 -11.564 463 HB THR 61 HB THR 61 2.572 -10.181 -14.477 464 HG1 THR 61 HG1 THR 61 2.097 -8.259 -13.712 465 1HG2 THR 61 1HG2 THR 61 -0.006 -10.985 -13.107 466 2HG2 THR 61 2HG2 THR 61 1.048 -12.131 -13.934 467 3HG2 THR 61 3HG2 THR 61 0.282 -10.828 -14.840 468 H ASN 62 H ASN 62 1.699 -13.063 -12.293 469 HA ASN 62 HA ASN 62 3.958 -14.743 -12.189 470 1HB ASN 62 2HB ASN 62 1.102 -15.059 -12.865 471 2HB ASN 62 1HB ASN 62 2.159 -16.278 -13.575 472 1HD2 ASN 62 1HD2 ASN 62 1.587 -14.663 -10.390 473 2HD2 ASN 62 2HD2 ASN 62 1.925 -16.047 -9.468 474 H ASP 63 H ASP 63 2.590 -13.080 -14.968 475 HA ASP 63 HA ASP 63 3.976 -14.729 -16.945 476 1HB ASP 63 2HB ASP 63 2.598 -12.033 -17.152 477 2HB ASP 63 1HB ASP 63 3.268 -12.908 -18.529 478 H GLY 64 H GLY 64 4.412 -11.392 -15.692 479 1HA GLY 64 2HA GLY 64 7.003 -11.151 -15.155 480 2HA GLY 64 1HA GLY 64 7.125 -11.329 -16.904 481 H VAL 65 H VAL 65 4.951 -9.485 -14.721 482 HA VAL 65 HA VAL 65 5.724 -7.009 -16.205 483 HB VAL 65 HB VAL 65 2.900 -7.705 -15.332 484 1HG1 VAL 65 1HG1 VAL 65 4.189 -5.246 -16.027 485 2HG1 VAL 65 2HG1 VAL 65 2.486 -5.519 -15.661 486 3HG1 VAL 65 3HG1 VAL 65 3.065 -5.660 -17.321 487 1HG2 VAL 65 1HG2 VAL 65 3.472 -9.131 -17.195 488 2HG2 VAL 65 2HG2 VAL 65 4.251 -7.796 -18.046 489 3HG2 VAL 65 3HG2 VAL 65 2.500 -7.805 -17.835 490 H GLY 66 H GLY 66 6.516 -5.552 -14.782 491 1HA GLY 66 2HA GLY 66 6.284 -5.922 -11.915 492 2HA GLY 66 1HA GLY 66 7.103 -4.587 -12.722 493 H VAL 67 H VAL 67 4.029 -5.739 -11.509 494 HA VAL 67 HA VAL 67 2.492 -3.399 -12.292 495 HB VAL 67 HB VAL 67 1.871 -5.339 -10.043 496 1HG1 VAL 67 1HG1 VAL 67 -0.277 -4.501 -10.096 497 2HG1 VAL 67 2HG1 VAL 67 -0.179 -4.065 -11.802 498 3HG1 VAL 67 3HG1 VAL 67 0.597 -3.051 -10.585 499 1HG2 VAL 67 1HG2 VAL 67 0.744 -5.629 -12.802 500 2HG2 VAL 67 2HG2 VAL 67 1.008 -6.859 -11.570 501 3HG2 VAL 67 3HG2 VAL 67 2.369 -6.237 -12.500 502 H ASN 68 H ASN 68 2.377 -1.459 -11.263 503 HA ASN 68 HA ASN 68 3.761 -1.198 -8.626 504 1HB ASN 68 2HB ASN 68 3.391 0.665 -10.960 505 2HB ASN 68 1HB ASN 68 3.688 1.323 -9.351 506 1HD2 ASN 68 1HD2 ASN 68 5.336 0.527 -12.095 507 2HD2 ASN 68 2HD2 ASN 68 6.829 0.077 -11.423 508 HA PRO 69 HA PRO 69 0.000 0.065 -6.722 509 1HB PRO 69 2HB PRO 69 0.963 1.866 -4.875 510 2HB PRO 69 1HB PRO 69 1.156 0.111 -4.726 511 1HG PRO 69 2HG PRO 69 3.181 2.164 -5.477 512 2HG PRO 69 1HG PRO 69 3.418 0.578 -4.727 513 1HD PRO 69 2HD PRO 69 3.846 1.209 -7.455 514 2HD PRO 69 1HD PRO 69 3.769 -0.423 -6.758 515 H ALA 70 H ALA 70 -0.246 1.234 -9.017 516 HA ALA 70 HA ALA 70 -0.797 4.119 -8.460 517 1HB ALA 70 1HB ALA 70 1.272 3.800 -9.870 518 2HB ALA 70 2HB ALA 70 0.003 4.749 -10.646 519 3HB ALA 70 3HB ALA 70 0.245 3.062 -11.101 520 H GLN 71 H GLN 71 -1.702 1.175 -10.216 521 HA GLN 71 HA GLN 71 -4.079 2.485 -11.387 522 1HB GLN 71 2HB GLN 71 -2.947 -0.319 -11.569 523 2HB GLN 71 1HB GLN 71 -4.470 0.152 -12.322 524 1HG GLN 71 2HG GLN 71 -3.439 1.364 -13.957 525 2HG GLN 71 1HG GLN 71 -2.184 1.952 -12.867 526 1HE2 GLN 71 1HE2 GLN 71 -0.328 0.488 -12.433 527 2HE2 GLN 71 2HE2 GLN 71 0.040 -0.764 -13.519 528 HA PRO 72 HA PRO 72 -6.920 1.060 -8.330 529 1HB PRO 72 2HB PRO 72 -9.143 0.625 -9.889 530 2HB PRO 72 1HB PRO 72 -8.554 2.237 -9.450 531 1HG PRO 72 2HG PRO 72 -8.352 0.812 -12.061 532 2HG PRO 72 1HG PRO 72 -8.380 2.551 -11.732 533 1HD PRO 72 2HD PRO 72 -6.081 1.019 -12.328 534 2HD PRO 72 1HD PRO 72 -6.092 2.667 -11.666 535 H ALA 73 H ALA 73 -8.007 -0.869 -7.531 536 HA ALA 73 HA ALA 73 -6.834 -3.358 -8.177 537 1HB ALA 73 1HB ALA 73 -9.606 -3.002 -7.005 538 2HB ALA 73 2HB ALA 73 -8.121 -2.796 -6.075 539 3HB ALA 73 3HB ALA 73 -8.512 -4.367 -6.773 540 H GLY 74 H GLY 74 -9.878 -1.932 -9.376 541 1HA GLY 74 2HA GLY 74 -10.848 -4.183 -10.811 542 2HA GLY 74 1HA GLY 74 -11.205 -2.506 -11.222 543 H ASN 75 H ASN 75 -8.693 -1.536 -11.901 544 HA ASN 75 HA ASN 75 -8.347 -2.594 -14.568 545 1HB ASN 75 2HB ASN 75 -7.850 -0.198 -13.592 546 2HB ASN 75 1HB ASN 75 -6.265 -0.886 -13.235 547 1HD2 ASN 75 1HD2 ASN 75 -4.826 -1.258 -15.005 548 2HD2 ASN 75 2HD2 ASN 75 -5.213 -0.868 -16.610 549 H ILE 76 H ILE 76 -6.532 -2.964 -11.530 550 HA ILE 76 HA ILE 76 -4.262 -4.335 -12.596 551 HB ILE 76 HB ILE 76 -5.582 -4.548 -9.870 552 1HG1 ILE 76 2HG1 ILE 76 -4.734 -2.288 -10.540 553 2HG1 ILE 76 1HG1 ILE 76 -3.866 -2.965 -9.166 554 1HG2 ILE 76 1HG2 ILE 76 -4.225 -6.499 -10.112 555 2HG2 ILE 76 2HG2 ILE 76 -3.250 -5.350 -9.197 556 3HG2 ILE 76 3HG2 ILE 76 -2.943 -5.595 -10.916 557 1HD1 ILE 76 1HD1 ILE 76 -2.042 -2.353 -10.416 558 2HD1 ILE 76 2HD1 ILE 76 -2.922 -2.455 -11.940 559 3HD1 ILE 76 3HD1 ILE 76 -2.326 -3.923 -11.168 560 H PHE 77 H PHE 77 -7.398 -5.549 -11.400 561 HA PHE 77 HA PHE 77 -6.751 -8.342 -11.837 562 1HB PHE 77 2HB PHE 77 -8.574 -7.325 -10.299 563 2HB PHE 77 1HB PHE 77 -9.551 -7.215 -11.762 564 HD1 PHE 77 HD1 PHE 77 -10.254 -9.242 -12.971 565 HD2 PHE 77 HD2 PHE 77 -8.001 -9.479 -9.320 566 HE1 PHE 77 HE1 PHE 77 -10.833 -11.644 -12.768 567 HE2 PHE 77 HE2 PHE 77 -8.582 -11.882 -9.120 568 HZ PHE 77 HZ PHE 77 -9.998 -12.964 -10.843 569 H LEU 78 H LEU 78 -8.401 -5.835 -13.750 570 HA LEU 78 HA LEU 78 -9.323 -7.573 -15.847 571 1HB LEU 78 2HB LEU 78 -8.784 -4.605 -15.687 572 2HB LEU 78 1HB LEU 78 -9.306 -5.362 -17.193 573 HG LEU 78 HG LEU 78 -10.802 -5.769 -14.598 574 1HD1 LEU 78 1HD1 LEU 78 -12.287 -4.014 -16.187 575 2HD1 LEU 78 2HD1 LEU 78 -10.645 -3.376 -16.253 576 3HD1 LEU 78 3HD1 LEU 78 -11.439 -3.607 -14.697 577 1HD2 LEU 78 1HD2 LEU 78 -12.119 -7.080 -15.876 578 2HD2 LEU 78 2HD2 LEU 78 -10.992 -6.856 -17.214 579 3HD2 LEU 78 3HD2 LEU 78 -12.365 -5.765 -17.024 580 H LYS 79 H LYS 79 -6.284 -5.783 -15.375 581 HA LYS 79 HA LYS 79 -5.262 -6.584 -18.014 582 1HB LYS 79 2HB LYS 79 -4.425 -4.779 -15.833 583 2HB LYS 79 1HB LYS 79 -3.096 -5.600 -16.652 584 1HG LYS 79 2HG LYS 79 -4.211 -4.888 -18.848 585 2HG LYS 79 1HG LYS 79 -5.206 -3.812 -17.866 586 1HD LYS 79 2HD LYS 79 -3.031 -2.904 -16.888 587 2HD LYS 79 1HD LYS 79 -2.198 -3.785 -18.169 588 1HE LYS 79 2HE LYS 79 -3.578 -2.581 -19.855 589 2HE LYS 79 1HE LYS 79 -4.312 -1.648 -18.552 590 1HZ LYS 79 1HZ LYS 79 -2.067 -0.895 -17.935 591 2HZ LYS 79 2HZ LYS 79 -2.515 -0.409 -19.502 592 3HZ LYS 79 3HZ LYS 79 -1.437 -1.704 -19.285 593 H HIS 80 H HIS 80 -4.168 -7.156 -14.637 594 HA HIS 80 HA HIS 80 -2.597 -9.480 -15.599 595 1HB HIS 80 2HB HIS 80 -2.715 -8.407 -12.772 596 2HB HIS 80 1HB HIS 80 -1.452 -9.397 -13.504 597 HD1 HIS 80 HD1 HIS 80 -0.208 -8.167 -15.647 598 HD2 HIS 80 HD2 HIS 80 -2.201 -5.695 -12.946 599 HE1 HIS 80 HE1 HIS 80 0.648 -5.819 -16.058 600 H GLY 81 H GLY 81 -4.872 -8.857 -12.878 601 1HA GLY 81 2HA GLY 81 -6.865 -10.386 -12.733 602 2HA GLY 81 1HA GLY 81 -5.776 -11.699 -13.175 603 H SER 82 H SER 82 -5.499 -12.968 -11.407 604 HA SER 82 HA SER 82 -5.147 -11.644 -8.747 605 1HB SER 82 2HB SER 82 -5.804 -13.881 -7.808 606 2HB SER 82 1HB SER 82 -7.072 -13.110 -8.754 607 HG SER 82 HG SER 82 -5.970 -15.488 -9.117 608 H GLU 83 H GLU 83 -3.851 -14.212 -10.862 609 HA GLU 83 HA GLU 83 -1.779 -15.105 -9.117 610 1HB GLU 83 2HB GLU 83 -2.378 -15.310 -12.015 611 2HB GLU 83 1HB GLU 83 -0.685 -15.522 -11.570 612 1HG GLU 83 2HG GLU 83 -1.622 -17.703 -11.437 613 2HG GLU 83 1HG GLU 83 -1.532 -17.149 -9.766 614 H LEU 84 H LEU 84 -0.462 -13.605 -8.180 615 HA LEU 84 HA LEU 84 1.239 -11.948 -9.979 616 1HB LEU 84 2HB LEU 84 -0.397 -10.978 -7.629 617 2HB LEU 84 1HB LEU 84 1.027 -10.103 -8.188 618 HG LEU 84 HG LEU 84 -0.752 -10.845 -10.390 619 1HD1 LEU 84 1HD1 LEU 84 -2.219 -8.729 -9.457 620 2HD1 LEU 84 2HD1 LEU 84 -1.890 -9.605 -7.962 621 3HD1 LEU 84 3HD1 LEU 84 -2.703 -10.417 -9.299 622 1HD2 LEU 84 1HD2 LEU 84 1.096 -9.222 -10.559 623 2HD2 LEU 84 2HD2 LEU 84 0.321 -8.202 -9.350 624 3HD2 LEU 84 3HD2 LEU 84 -0.444 -8.445 -10.919 625 H ARG 85 H ARG 85 3.128 -11.004 -8.635 626 HA ARG 85 HA ARG 85 3.919 -12.839 -6.416 627 1HB ARG 85 2HB ARG 85 5.253 -12.403 -9.031 628 2HB ARG 85 1HB ARG 85 6.313 -12.399 -7.622 629 1HG ARG 85 2HG ARG 85 6.224 -14.644 -7.573 630 2HG ARG 85 1HG ARG 85 4.489 -14.550 -7.275 631 1HD ARG 85 2HD ARG 85 4.171 -15.495 -9.295 632 2HD ARG 85 1HD ARG 85 4.786 -14.008 -10.018 633 HE ARG 85 HE ARG 85 6.875 -15.892 -9.184 634 1HH1 ARG 85 1HH2 ARG 85 7.376 -14.022 -11.388 635 2HH1 ARG 85 2HH2 ARG 85 7.161 -14.997 -12.802 636 1HH2 ARG 85 2HH1 ARG 85 5.449 -17.519 -11.123 637 2HH2 ARG 85 1HH1 ARG 85 6.065 -16.986 -12.652 638 H LEU 86 H LEU 86 5.681 -11.904 -5.056 639 HA LEU 86 HA LEU 86 5.500 -8.921 -5.007 640 1HB LEU 86 2HB LEU 86 4.733 -10.361 -2.998 641 2HB LEU 86 1HB LEU 86 6.449 -10.644 -2.719 642 HG LEU 86 HG LEU 86 6.200 -7.868 -3.168 643 1HD1 LEU 86 1HD1 LEU 86 4.005 -7.502 -2.643 644 2HD1 LEU 86 2HD1 LEU 86 4.590 -7.658 -0.988 645 3HD1 LEU 86 3HD1 LEU 86 3.847 -9.039 -1.794 646 1HD2 LEU 86 1HD2 LEU 86 7.144 -7.708 -1.000 647 2HD2 LEU 86 2HD2 LEU 86 7.686 -9.279 -1.588 648 3HD2 LEU 86 3HD2 LEU 86 6.342 -9.179 -0.450 649 H ILE 87 H ILE 87 7.322 -7.751 -5.346 650 HA ILE 87 HA ILE 87 9.957 -9.155 -5.188 651 HB ILE 87 HB ILE 87 9.325 -8.829 -7.548 652 1HG1 ILE 87 2HG1 ILE 87 11.399 -6.725 -6.965 653 2HG1 ILE 87 1HG1 ILE 87 11.723 -8.417 -6.583 654 1HG2 ILE 87 1HG2 ILE 87 8.215 -6.990 -8.220 655 2HG2 ILE 87 2HG2 ILE 87 9.558 -5.967 -7.715 656 3HG2 ILE 87 3HG2 ILE 87 8.280 -6.372 -6.572 657 1HD1 ILE 87 1HD1 ILE 87 12.544 -7.902 -8.832 658 2HD1 ILE 87 2HD1 ILE 87 10.945 -7.321 -9.302 659 3HD1 ILE 87 3HD1 ILE 87 11.190 -9.028 -8.931 660 HA PRO 88 HA PRO 88 10.810 -5.772 -2.451 661 1HB PRO 88 2HB PRO 88 13.449 -6.427 -2.013 662 2HB PRO 88 1HB PRO 88 12.088 -7.238 -1.220 663 1HG PRO 88 2HG PRO 88 13.824 -8.220 -3.437 664 2HG PRO 88 1HG PRO 88 12.924 -9.144 -2.223 665 1HD PRO 88 2HD PRO 88 12.140 -8.752 -4.909 666 2HD PRO 88 1HD PRO 88 11.104 -9.360 -3.600 667 H ARG 89 H ARG 89 11.146 -3.729 -3.191 668 HA ARG 89 HA ARG 89 12.731 -3.211 -5.589 669 1HB ARG 89 2HB ARG 89 10.601 -1.936 -4.385 670 2HB ARG 89 1HB ARG 89 11.951 -0.883 -3.964 671 1HG ARG 89 2HG ARG 89 11.930 -0.034 -6.045 672 2HG ARG 89 1HG ARG 89 12.282 -1.635 -6.694 673 1HD ARG 89 2HD ARG 89 10.251 -1.421 -7.703 674 2HD ARG 89 1HD ARG 89 9.620 -1.880 -6.122 675 HE ARG 89 HE ARG 89 9.934 0.978 -6.961 676 1HH1 ARG 89 1HH2 ARG 89 9.311 0.607 -4.110 677 2HH1 ARG 89 2HH2 ARG 89 7.579 0.614 -4.077 678 1HH2 ARG 89 2HH1 ARG 89 7.248 0.031 -7.488 679 2HH2 ARG 89 1HH1 ARG 89 6.407 0.286 -5.995 680 H ASP 90 H ASP 90 14.837 -2.609 -5.642 681 HA ASP 90 HA ASP 90 16.136 -1.840 -3.058 682 1HB ASP 90 2HB ASP 90 17.218 -3.442 -5.395 683 2HB ASP 90 1HB ASP 90 18.242 -2.790 -4.117 684 H ARG 91 H ARG 91 16.231 0.369 -3.222 685 HA ARG 91 HA ARG 91 17.591 1.477 -5.643 686 1HB ARG 91 2HB ARG 91 15.021 2.286 -4.360 687 2HB ARG 91 1HB ARG 91 16.073 3.577 -4.940 688 1HG ARG 91 2HG ARG 91 15.316 3.197 -7.023 689 2HG ARG 91 1HG ARG 91 16.074 1.606 -6.966 690 1HD ARG 91 2HD ARG 91 13.887 0.965 -7.338 691 2HD ARG 91 1HD ARG 91 13.875 1.012 -5.575 692 HE ARG 91 HE ARG 91 12.524 2.912 -7.362 693 1HH1 ARG 91 1HH2 ARG 91 11.722 1.597 -4.621 694 2HH1 ARG 91 2HH2 ARG 91 11.630 3.020 -3.637 695 1HH2 ARG 91 2HH1 ARG 91 13.303 5.033 -5.922 696 2HH2 ARG 91 1HH1 ARG 91 12.527 4.968 -4.374 697 H VAL 92 H VAL 92 16.460 2.757 -2.482 698 HA VAL 92 HA VAL 92 19.302 3.485 -1.904 699 HB VAL 92 HB VAL 92 16.890 5.209 -1.248 700 1HG1 VAL 92 1HG1 VAL 92 18.579 6.861 -0.609 701 2HG1 VAL 92 2HG1 VAL 92 19.870 5.758 -1.088 702 3HG1 VAL 92 3HG1 VAL 92 18.844 5.369 0.294 703 1HG2 VAL 92 1HG2 VAL 92 17.368 6.546 -3.103 704 2HG2 VAL 92 2HG2 VAL 92 17.704 4.942 -3.753 705 3HG2 VAL 92 3HG2 VAL 92 19.030 5.971 -3.216 706 H GLY 93 H GLY 93 19.927 2.424 -0.113 707 1HA GLY 93 2HA GLY 93 19.843 1.951 2.242 708 2HA GLY 93 1HA GLY 93 18.111 2.286 2.226 709 H HIS 94 HN HIS 94 16.777 0.677 0.920 710 HA HIS 94 HA HIS 94 17.348 -2.002 1.851 711 1HB HIS 94 2HB HIS 94 15.047 -0.941 1.471 712 2HB HIS 94 1HB HIS 94 15.298 -1.251 -0.246 713 HD1 HIS 94 HD1 HIS 94 14.108 -3.343 -0.881 714 HD2 HIS 94 HD2 HIS 94 15.811 -3.650 2.911 715 HE1 HIS 94 HE1 HIS 94 13.610 -5.686 -0.057 Start of MODEL 18 1 1H MET 1 1H MET 1 -14.233 -20.752 -3.937 2 2H MET 1 2H MET 1 -13.211 -20.582 -2.588 3 3H MET 1 3H MET 1 -12.683 -20.089 -4.128 4 HA MET 1 HA MET 1 -14.259 -18.317 -4.197 5 1HB MET 1 2HB MET 1 -15.628 -19.945 -2.332 6 2HB MET 1 1HB MET 1 -15.233 -18.454 -1.475 7 1HG MET 1 2HG MET 1 -16.396 -17.109 -3.024 8 2HG MET 1 1HG MET 1 -16.392 -18.371 -4.255 9 1HE MET 1 1HE MET 1 -19.723 -17.875 -4.125 10 2HE MET 1 2HE MET 1 -19.416 -19.586 -4.421 11 3HE MET 1 3HE MET 1 -18.253 -18.381 -4.968 12 H SER 2 H SER 2 -12.568 -16.887 -4.089 13 HA SER 2 HA SER 2 -10.924 -16.697 -1.637 14 1HB SER 2 2HB SER 2 -10.710 -15.683 -4.439 15 2HB SER 2 1HB SER 2 -9.906 -14.755 -3.175 16 HG SER 2 HG SER 2 -8.449 -16.274 -3.764 17 H GLY 3 H GLY 3 -13.250 -14.714 -3.479 18 1HA GLY 3 2HA GLY 3 -14.143 -13.337 -1.129 19 2HA GLY 3 1HA GLY 3 -13.028 -12.304 -2.021 20 H GLY 4 H GLY 4 -13.552 -12.158 -4.461 21 1HA GLY 4 2HA GLY 4 -16.517 -11.901 -4.759 22 2HA GLY 4 1HA GLY 4 -15.351 -10.844 -5.554 23 H THR 5 H THR 5 -16.240 -14.304 -5.365 24 HA THR 5 HA THR 5 -16.319 -14.503 -8.268 25 HB THR 5 HB THR 5 -13.906 -14.674 -7.995 26 HG1 THR 5 HG1 THR 5 -14.443 -16.049 -9.530 27 1HG2 THR 5 1HG2 THR 5 -14.612 -16.705 -5.879 28 2HG2 THR 5 2HG2 THR 5 -13.556 -15.299 -5.747 29 3HG2 THR 5 3HG2 THR 5 -13.037 -16.710 -6.670 30 H ALA 6 H ALA 6 -18.086 -15.735 -8.561 31 HA ALA 6 HA ALA 6 -18.992 -17.581 -6.462 32 1HB ALA 6 1HB ALA 6 -20.599 -16.140 -7.702 33 2HB ALA 6 2HB ALA 6 -20.983 -17.856 -7.860 34 3HB ALA 6 3HB ALA 6 -20.193 -17.002 -9.187 35 H ALA 7 H ALA 7 -18.292 -17.895 -9.969 36 HA ALA 7 HA ALA 7 -17.314 -20.665 -9.431 37 1HB ALA 7 1HB ALA 7 -18.376 -21.248 -11.711 38 2HB ALA 7 2HB ALA 7 -19.324 -19.776 -11.506 39 3HB ALA 7 3HB ALA 7 -19.467 -21.088 -10.335 40 H THR 8 H THR 8 -17.611 -18.275 -12.105 41 HA THR 8 HA THR 8 -14.768 -18.886 -12.815 42 HB THR 8 HB THR 8 -15.393 -17.831 -15.046 43 HG1 THR 8 HG1 THR 8 -17.307 -17.025 -15.215 44 1HG2 THR 8 1HG2 THR 8 -15.231 -20.229 -14.869 45 2HG2 THR 8 2HG2 THR 8 -16.689 -19.858 -15.788 46 3HG2 THR 8 3HG2 THR 8 -16.812 -20.329 -14.092 47 H THR 9 H THR 9 -17.111 -16.178 -12.633 48 HA THR 9 HA THR 9 -15.076 -14.445 -11.453 49 HB THR 9 HB THR 9 -14.488 -14.219 -13.829 50 HG1 THR 9 HG1 THR 9 -14.161 -12.258 -13.198 51 1HG2 THR 9 1HG2 THR 9 -16.564 -14.832 -14.898 52 2HG2 THR 9 2HG2 THR 9 -16.181 -13.179 -15.377 53 3HG2 THR 9 3HG2 THR 9 -17.408 -13.476 -14.146 54 H ALA 10 H ALA 10 -16.009 -12.635 -10.435 55 HA ALA 10 HA ALA 10 -18.977 -12.351 -10.676 56 1HB ALA 10 1HB ALA 10 -17.427 -12.242 -8.071 57 2HB ALA 10 2HB ALA 10 -18.307 -13.665 -8.629 58 3HB ALA 10 3HB ALA 10 -19.179 -12.174 -8.269 59 H GLY 11 H GLY 11 -19.708 -10.217 -10.607 60 1HA GLY 11 2HA GLY 11 -17.627 -8.123 -10.793 61 2HA GLY 11 1HA GLY 11 -19.332 -7.924 -11.195 62 H SER 12 H SER 12 -17.752 -9.096 -8.203 63 HA SER 12 HA SER 12 -19.197 -6.932 -6.725 64 1HB SER 12 2HB SER 12 -19.204 -9.778 -6.347 65 2HB SER 12 1HB SER 12 -18.435 -9.031 -4.950 66 HG SER 12 HG SER 12 -20.557 -8.917 -4.499 67 H LYS 13 H LYS 13 -16.326 -9.082 -6.477 68 HA LYS 13 HA LYS 13 -14.754 -6.724 -5.552 69 1HB LYS 13 2HB LYS 13 -15.041 -9.381 -4.153 70 2HB LYS 13 1HB LYS 13 -13.598 -8.393 -3.939 71 1HG LYS 13 2HG LYS 13 -15.205 -6.464 -3.387 72 2HG LYS 13 1HG LYS 13 -16.450 -7.705 -3.232 73 1HD LYS 13 2HD LYS 13 -14.751 -8.900 -1.668 74 2HD LYS 13 1HD LYS 13 -13.953 -7.329 -1.585 75 1HE LYS 13 2HE LYS 13 -16.056 -6.293 -0.823 76 2HE LYS 13 1HE LYS 13 -16.863 -7.859 -0.911 77 1HZ LYS 13 1HZ LYS 13 -15.142 -6.810 1.120 78 2HZ LYS 13 2HZ LYS 13 -14.638 -8.344 0.588 79 3HZ LYS 13 3HZ LYS 13 -16.213 -8.123 1.184 80 H VAL 14 H VAL 14 -12.365 -7.208 -5.629 81 HA VAL 14 HA VAL 14 -11.736 -9.116 -7.845 82 HB VAL 14 HB VAL 14 -9.807 -7.510 -8.346 83 1HG1 VAL 14 1HG1 VAL 14 -12.436 -7.565 -9.224 84 2HG1 VAL 14 2HG1 VAL 14 -11.124 -6.662 -9.981 85 3HG1 VAL 14 3HG1 VAL 14 -12.188 -5.865 -8.822 86 1HG2 VAL 14 1HG2 VAL 14 -10.058 -5.202 -7.556 87 2HG2 VAL 14 2HG2 VAL 14 -9.923 -6.287 -6.173 88 3HG2 VAL 14 3HG2 VAL 14 -11.498 -5.648 -6.643 89 H THR 15 H THR 15 -10.449 -10.746 -7.179 90 HA THR 15 HA THR 15 -8.983 -10.451 -4.611 91 HB THR 15 HB THR 15 -8.691 -12.974 -4.876 92 HG1 THR 15 HG1 THR 15 -9.254 -13.727 -6.737 93 1HG2 THR 15 1HG2 THR 15 -11.265 -11.506 -4.501 94 2HG2 THR 15 2HG2 THR 15 -10.346 -12.474 -3.347 95 3HG2 THR 15 3HG2 THR 15 -11.324 -13.269 -4.581 96 H PHE 16 H PHE 16 -6.770 -10.672 -4.455 97 HA PHE 16 HA PHE 16 -5.261 -10.980 -7.023 98 1HB PHE 16 2HB PHE 16 -4.558 -9.178 -4.690 99 2HB PHE 16 1HB PHE 16 -3.660 -9.324 -6.199 100 HD1 PHE 16 HD1 PHE 16 -6.236 -7.542 -4.501 101 HD2 PHE 16 HD2 PHE 16 -5.021 -8.877 -8.399 102 HE1 PHE 16 HE1 PHE 16 -7.692 -5.827 -5.545 103 HE2 PHE 16 HE2 PHE 16 -6.477 -7.162 -9.439 104 HZ PHE 16 HZ PHE 16 -7.812 -5.638 -8.012 105 H LYS 17 H LYS 17 -3.530 -12.369 -6.951 106 HA LYS 17 HA LYS 17 -2.954 -13.676 -4.324 107 1HB LYS 17 2HB LYS 17 -3.755 -14.865 -6.668 108 2HB LYS 17 1HB LYS 17 -2.001 -15.005 -6.784 109 1HG LYS 17 2HG LYS 17 -1.867 -16.160 -4.687 110 2HG LYS 17 1HG LYS 17 -3.554 -15.803 -4.311 111 1HD LYS 17 2HD LYS 17 -4.046 -17.075 -6.549 112 2HD LYS 17 1HD LYS 17 -2.433 -17.750 -6.309 113 1HE LYS 17 2HE LYS 17 -3.699 -17.912 -3.795 114 2HE LYS 17 1HE LYS 17 -4.909 -18.431 -4.968 115 1HZ LYS 17 1HZ LYS 17 -2.274 -19.493 -5.460 116 2HZ LYS 17 2HZ LYS 17 -3.780 -20.281 -5.425 117 3HZ LYS 17 3HZ LYS 17 -2.939 -19.987 -3.978 118 H ILE 18 H ILE 18 -1.120 -12.801 -3.468 119 HA ILE 18 HA ILE 18 1.118 -12.129 -5.341 120 HB ILE 18 HB ILE 18 0.565 -11.001 -2.575 121 1HG1 ILE 18 2HG1 ILE 18 0.443 -8.977 -4.523 122 2HG1 ILE 18 1HG1 ILE 18 -0.474 -10.318 -5.208 123 1HG2 ILE 18 1HG2 ILE 18 2.256 -9.265 -3.799 124 2HG2 ILE 18 2HG2 ILE 18 2.794 -10.781 -4.521 125 3HG2 ILE 18 3HG2 ILE 18 2.805 -10.586 -2.767 126 1HD1 ILE 18 1HD1 ILE 18 -1.547 -8.529 -3.482 127 2HD1 ILE 18 2HD1 ILE 18 -0.969 -9.742 -2.337 128 3HD1 ILE 18 3HD1 ILE 18 -2.106 -10.197 -3.608 129 H THR 19 H THR 19 2.566 -13.782 -5.300 130 HA THR 19 HA THR 19 3.118 -15.162 -2.711 131 HB THR 19 HB THR 19 3.963 -15.995 -5.504 132 HG1 THR 19 HG1 THR 19 2.049 -16.797 -5.718 133 1HG2 THR 19 1HG2 THR 19 4.278 -17.091 -2.764 134 2HG2 THR 19 2HG2 THR 19 5.316 -17.275 -4.177 135 3HG2 THR 19 3HG2 THR 19 3.856 -18.254 -4.023 136 H LEU 20 H LEU 20 5.077 -14.857 -1.718 137 HA LEU 20 HA LEU 20 6.877 -12.806 -2.614 138 1HB LEU 20 2HB LEU 20 6.498 -14.280 -0.254 139 2HB LEU 20 1HB LEU 20 8.131 -14.683 -0.782 140 HG LEU 20 HG LEU 20 7.140 -11.829 -0.676 141 1HD1 LEU 20 1HD1 LEU 20 8.959 -12.623 1.464 142 2HD1 LEU 20 2HD1 LEU 20 7.427 -13.493 1.547 143 3HD1 LEU 20 3HD1 LEU 20 7.442 -11.728 1.560 144 1HD2 LEU 20 1HD2 LEU 20 9.979 -12.612 -0.249 145 2HD2 LEU 20 2HD2 LEU 20 9.311 -11.255 -1.157 146 3HD2 LEU 20 3HD2 LEU 20 9.340 -12.867 -1.873 147 H THR 21 H THR 21 8.485 -12.926 -4.086 148 HA THR 21 HA THR 21 9.180 -15.515 -5.292 149 HB THR 21 HB THR 21 10.621 -14.094 -6.794 150 HG1 THR 21 HG1 THR 21 11.049 -12.167 -6.132 151 1HG2 THR 21 1HG2 THR 21 7.882 -14.414 -6.769 152 2HG2 THR 21 2HG2 THR 21 8.810 -13.723 -8.100 153 3HG2 THR 21 3HG2 THR 21 8.058 -12.665 -6.906 154 H SER 22 H SER 22 10.825 -12.989 -3.378 155 HA SER 22 HA SER 22 13.433 -14.159 -3.396 156 1HB SER 22 2HB SER 22 11.993 -12.186 -1.678 157 2HB SER 22 1HB SER 22 13.459 -12.910 -1.024 158 HG SER 22 HG SER 22 14.151 -11.185 -2.169 159 H ASP 23 H ASP 23 10.616 -14.708 -1.308 160 HA ASP 23 HA ASP 23 11.928 -16.362 0.637 161 1HB ASP 23 2HB ASP 23 9.496 -15.260 0.536 162 2HB ASP 23 1HB ASP 23 9.067 -16.852 -0.088 163 HA PRO 24 HA PRO 24 12.454 -20.031 -1.781 164 1HB PRO 24 2HB PRO 24 13.001 -21.731 0.313 165 2HB PRO 24 1HB PRO 24 14.173 -20.579 -0.350 166 1HG PRO 24 2HG PRO 24 12.612 -20.421 2.193 167 2HG PRO 24 1HG PRO 24 14.197 -19.732 1.803 168 1HD PRO 24 2HD PRO 24 11.771 -18.307 1.865 169 2HD PRO 24 1HD PRO 24 13.274 -17.751 1.099 170 H LYS 25 H LYS 25 10.221 -19.902 0.966 171 HA LYS 25 HA LYS 25 8.850 -22.391 0.300 172 1HB LYS 25 2HB LYS 25 8.610 -20.253 2.325 173 2HB LYS 25 1HB LYS 25 7.082 -20.995 1.853 174 1HG LYS 25 2HG LYS 25 7.558 -22.849 3.025 175 2HG LYS 25 1HG LYS 25 9.098 -23.032 2.183 176 1HD LYS 25 2HD LYS 25 9.962 -21.165 3.753 177 2HD LYS 25 1HD LYS 25 8.521 -21.497 4.716 178 1HE LYS 25 2HE LYS 25 9.808 -23.983 3.985 179 2HE LYS 25 1HE LYS 25 10.961 -22.918 4.785 180 1HZ LYS 25 1HZ LYS 25 9.758 -22.885 6.703 181 2HZ LYS 25 2HZ LYS 25 9.370 -24.449 6.157 182 3HZ LYS 25 3HZ LYS 25 8.273 -23.170 5.929 183 H LEU 26 H LEU 26 8.559 -19.020 -0.615 184 HA LEU 26 HA LEU 26 7.169 -17.946 -2.152 185 1HB LEU 26 2HB LEU 26 7.326 -20.729 -3.043 186 2HB LEU 26 1HB LEU 26 5.811 -19.962 -3.517 187 HG LEU 26 HG LEU 26 7.569 -17.968 -4.092 188 1HD1 LEU 26 1HD1 LEU 26 9.684 -18.688 -4.403 189 2HD1 LEU 26 2HD1 LEU 26 9.131 -20.054 -5.374 190 3HD1 LEU 26 3HD1 LEU 26 9.219 -20.198 -3.618 191 1HD2 LEU 26 1HD2 LEU 26 7.143 -20.189 -6.079 192 2HD2 LEU 26 2HD2 LEU 26 7.066 -18.444 -6.332 193 3HD2 LEU 26 3HD2 LEU 26 5.765 -19.270 -5.473 194 HA PRO 27 HA PRO 27 3.607 -18.888 0.691 195 1HB PRO 27 2HB PRO 27 3.792 -16.544 2.123 196 2HB PRO 27 1HB PRO 27 4.620 -18.043 2.578 197 1HG PRO 27 2HG PRO 27 5.751 -15.571 1.349 198 2HG PRO 27 1HG PRO 27 6.543 -16.775 2.378 199 1HD PRO 27 2HD PRO 27 6.794 -16.587 -0.428 200 2HD PRO 27 1HD PRO 27 7.274 -17.973 0.574 201 H PHE 28 H PHE 28 1.869 -18.527 -0.648 202 HA PHE 28 HA PHE 28 1.569 -16.020 -2.148 203 1HB PHE 28 2HB PHE 28 -0.353 -17.066 -3.172 204 2HB PHE 28 1HB PHE 28 0.919 -18.281 -3.069 205 HD1 PHE 28 HD1 PHE 28 0.757 -20.158 -1.498 206 HD2 PHE 28 HD2 PHE 28 -2.326 -17.171 -1.715 207 HE1 PHE 28 HE1 PHE 28 -0.751 -21.615 -0.173 208 HE2 PHE 28 HE2 PHE 28 -3.831 -18.630 -0.389 209 HZ PHE 28 HZ PHE 28 -3.042 -20.850 0.382 210 H LYS 29 H LYS 29 -0.282 -14.605 -1.933 211 HA LYS 29 HA LYS 29 -1.744 -14.788 0.664 212 1HB LYS 29 2HB LYS 29 0.292 -13.133 0.600 213 2HB LYS 29 1HB LYS 29 -0.790 -12.123 -0.359 214 1HG LYS 29 2HG LYS 29 -2.518 -12.547 1.530 215 2HG LYS 29 1HG LYS 29 -1.129 -13.063 2.487 216 1HD LYS 29 2HD LYS 29 -0.047 -10.906 2.172 217 2HD LYS 29 1HD LYS 29 -1.330 -10.386 1.077 218 1HE LYS 29 2HE LYS 29 -2.418 -11.330 3.607 219 2HE LYS 29 1HE LYS 29 -1.268 -10.019 3.857 220 1HZ LYS 29 1HZ LYS 29 -2.737 -8.571 3.089 221 2HZ LYS 29 2HZ LYS 29 -3.891 -9.815 3.005 222 3HZ LYS 29 3HZ LYS 29 -2.941 -9.441 1.647 223 H VAL 30 H VAL 30 -3.900 -14.331 0.467 224 HA VAL 30 HA VAL 30 -4.870 -13.504 -2.225 225 HB VAL 30 HB VAL 30 -6.368 -14.764 0.096 226 1HG1 VAL 30 1HG1 VAL 30 -8.051 -15.207 -1.789 227 2HG1 VAL 30 2HG1 VAL 30 -7.159 -14.006 -2.723 228 3HG1 VAL 30 3HG1 VAL 30 -7.942 -13.543 -1.211 229 1HG2 VAL 30 1HG2 VAL 30 -5.113 -15.879 -2.420 230 2HG2 VAL 30 2HG2 VAL 30 -6.408 -16.727 -1.574 231 3HG2 VAL 30 3HG2 VAL 30 -4.877 -16.413 -0.755 232 H LEU 31 H LEU 31 -5.453 -11.411 -2.452 233 HA LEU 31 HA LEU 31 -6.385 -9.911 -0.032 234 1HB LEU 31 2HB LEU 31 -4.365 -9.309 -1.988 235 2HB LEU 31 1HB LEU 31 -5.653 -8.113 -2.117 236 HG LEU 31 HG LEU 31 -4.731 -8.848 0.626 237 1HD1 LEU 31 1HD1 LEU 31 -2.568 -8.529 -0.150 238 2HD1 LEU 31 2HD1 LEU 31 -3.018 -6.861 0.206 239 3HD1 LEU 31 3HD1 LEU 31 -3.082 -7.457 -1.454 240 1HD2 LEU 31 1HD2 LEU 31 -5.384 -6.614 1.117 241 2HD2 LEU 31 2HD2 LEU 31 -6.590 -7.183 -0.038 242 3HD2 LEU 31 3HD2 LEU 31 -5.282 -6.127 -0.575 243 H SER 32 H SER 32 -8.585 -9.799 -0.122 244 HA SER 32 HA SER 32 -9.900 -9.470 -2.779 245 1HB SER 32 2HB SER 32 -10.596 -11.295 -1.066 246 2HB SER 32 1HB SER 32 -11.336 -9.971 -0.172 247 HG SER 32 HG SER 32 -12.922 -10.133 -1.531 248 H VAL 33 H VAL 33 -10.496 -7.446 -3.331 249 HA VAL 33 HA VAL 33 -11.427 -5.575 -1.207 250 HB VAL 33 HB VAL 33 -10.166 -3.724 -2.404 251 1HG1 VAL 33 1HG1 VAL 33 -9.393 -5.344 -0.354 252 2HG1 VAL 33 2HG1 VAL 33 -8.461 -3.953 -0.911 253 3HG1 VAL 33 3HG1 VAL 33 -8.051 -5.574 -1.477 254 1HG2 VAL 33 1HG2 VAL 33 -8.335 -4.314 -3.867 255 2HG2 VAL 33 2HG2 VAL 33 -9.788 -5.094 -4.496 256 3HG2 VAL 33 3HG2 VAL 33 -8.603 -6.036 -3.590 257 HA PRO 34 HA PRO 34 -14.559 -4.636 -4.143 258 1HB PRO 34 2HB PRO 34 -15.159 -2.054 -3.404 259 2HB PRO 34 1HB PRO 34 -15.642 -3.481 -2.470 260 1HG PRO 34 2HG PRO 34 -13.486 -1.502 -1.893 261 2HG PRO 34 1HG PRO 34 -14.417 -2.506 -0.770 262 1HD PRO 34 2HD PRO 34 -11.774 -3.013 -1.630 263 2HD PRO 34 1HD PRO 34 -12.839 -4.170 -0.802 264 H GLU 35 H GLU 35 -14.912 -3.538 -6.140 265 HA GLU 35 HA GLU 35 -12.593 -2.552 -7.516 266 1HB GLU 35 2HB GLU 35 -15.525 -2.735 -8.145 267 2HB GLU 35 1HB GLU 35 -14.497 -1.744 -9.178 268 1HG GLU 35 2HG GLU 35 -14.023 -3.674 -10.269 269 2HG GLU 35 1HG GLU 35 -12.995 -4.044 -8.884 270 H SER 36 H SER 36 -11.879 -0.880 -6.089 271 HA SER 36 HA SER 36 -12.586 1.777 -6.842 272 1HB SER 36 2HB SER 36 -13.527 2.506 -4.593 273 2HB SER 36 1HB SER 36 -14.620 1.536 -5.574 274 HG SER 36 HG SER 36 -14.491 0.834 -3.377 275 H THR 37 H THR 37 -11.315 -0.312 -4.249 276 HA THR 37 HA THR 37 -9.479 1.633 -3.170 277 HB THR 37 HB THR 37 -8.316 -0.405 -2.214 278 HG1 THR 37 HG1 THR 37 -8.673 -2.093 -3.430 279 1HG2 THR 37 1HG2 THR 37 -11.234 0.186 -1.886 280 2HG2 THR 37 2HG2 THR 37 -9.907 0.426 -0.748 281 3HG2 THR 37 3HG2 THR 37 -10.545 -1.194 -1.030 282 HA PRO 38 HA PRO 38 -6.490 1.522 -6.430 283 1HB PRO 38 2HB PRO 38 -4.543 2.949 -5.116 284 2HB PRO 38 1HB PRO 38 -5.980 3.687 -5.845 285 1HG PRO 38 2HG PRO 38 -5.379 3.192 -2.965 286 2HG PRO 38 1HG PRO 38 -6.415 4.428 -3.699 287 1HD PRO 38 2HD PRO 38 -7.302 2.044 -2.462 288 2HD PRO 38 1HD PRO 38 -8.280 3.115 -3.488 289 H PHE 39 H PHE 39 -4.274 0.711 -6.829 290 HA PHE 39 HA PHE 39 -3.691 -1.733 -5.435 291 1HB PHE 39 2HB PHE 39 -3.039 -0.936 -7.867 292 2HB PHE 39 1HB PHE 39 -1.593 -0.329 -7.060 293 HD1 PHE 39 HD1 PHE 39 0.212 -1.788 -7.256 294 HD2 PHE 39 HD2 PHE 39 -3.730 -3.410 -6.721 295 HE1 PHE 39 HE1 PHE 39 1.157 -4.079 -7.233 296 HE2 PHE 39 HE2 PHE 39 -2.783 -5.702 -6.698 297 HZ PHE 39 HZ PHE 39 -0.340 -6.036 -6.954 298 H THR 40 H THR 40 -2.883 1.555 -4.736 299 HA THR 40 HA THR 40 -0.397 1.200 -3.358 300 HB THR 40 HB THR 40 -1.213 3.253 -2.023 301 HG1 THR 40 HG1 THR 40 -3.202 3.813 -2.293 302 1HG2 THR 40 1HG2 THR 40 -1.457 3.819 -4.944 303 2HG2 THR 40 2HG2 THR 40 0.040 3.087 -4.363 304 3HG2 THR 40 3HG2 THR 40 -0.493 4.639 -3.715 305 H ALA 41 H ALA 41 -3.787 1.019 -2.265 306 HA ALA 41 HA ALA 41 -3.093 0.307 0.469 307 1HB ALA 41 1HB ALA 41 -5.712 -0.014 -1.031 308 2HB ALA 41 2HB ALA 41 -5.240 1.403 -0.092 309 3HB ALA 41 3HB ALA 41 -5.504 -0.143 0.716 310 H VAL 42 H VAL 42 -4.062 -1.494 -2.458 311 HA VAL 42 HA VAL 42 -4.293 -4.074 -1.229 312 HB VAL 42 HB VAL 42 -3.448 -3.365 -4.061 313 1HG1 VAL 42 1HG1 VAL 42 -4.642 -5.948 -3.014 314 2HG1 VAL 42 2HG1 VAL 42 -2.917 -5.717 -3.305 315 3HG1 VAL 42 3HG1 VAL 42 -4.058 -5.628 -4.648 316 1HG2 VAL 42 1HG2 VAL 42 -5.588 -2.640 -4.216 317 2HG2 VAL 42 2HG2 VAL 42 -6.001 -3.298 -2.631 318 3HG2 VAL 42 3HG2 VAL 42 -6.063 -4.333 -4.059 319 H LEU 43 H LEU 43 -1.537 -2.575 -2.947 320 HA LEU 43 HA LEU 43 0.355 -4.652 -2.484 321 1HB LEU 43 2HB LEU 43 0.506 -2.559 -4.023 322 2HB LEU 43 1HB LEU 43 1.115 -1.735 -2.587 323 HG LEU 43 HG LEU 43 2.370 -4.355 -3.090 324 1HD1 LEU 43 1HD1 LEU 43 2.251 -2.266 -5.193 325 2HD1 LEU 43 2HD1 LEU 43 2.578 -3.994 -5.337 326 3HD1 LEU 43 3HD1 LEU 43 3.860 -2.892 -4.833 327 1HD2 LEU 43 1HD2 LEU 43 4.417 -2.859 -2.733 328 2HD2 LEU 43 2HD2 LEU 43 3.280 -2.946 -1.388 329 3HD2 LEU 43 3HD2 LEU 43 3.280 -1.538 -2.452 330 H LYS 44 H LYS 44 -0.643 -1.905 -0.475 331 HA LYS 44 HA LYS 44 1.455 -2.151 1.483 332 1HB LYS 44 2HB LYS 44 -0.589 -0.355 1.021 333 2HB LYS 44 1HB LYS 44 -1.130 -1.168 2.491 334 1HG LYS 44 2HG LYS 44 1.160 -0.756 3.465 335 2HG LYS 44 1HG LYS 44 1.526 0.224 2.045 336 1HD LYS 44 2HD LYS 44 0.665 1.950 3.236 337 2HD LYS 44 1HD LYS 44 -0.908 1.249 2.854 338 1HE LYS 44 2HE LYS 44 -1.057 0.151 4.937 339 2HE LYS 44 1HE LYS 44 0.674 0.298 5.240 340 1HZ LYS 44 1HZ LYS 44 -0.370 1.911 6.575 341 2HZ LYS 44 2HZ LYS 44 -1.377 2.435 5.309 342 3HZ LYS 44 3HZ LYS 44 0.289 2.771 5.268 343 H PHE 45 H PHE 45 -1.870 -3.450 1.332 344 HA PHE 45 HA PHE 45 -1.857 -4.745 3.874 345 1HB PHE 45 2HB PHE 45 -3.499 -4.785 1.446 346 2HB PHE 45 1HB PHE 45 -3.451 -6.347 2.264 347 HD1 PHE 45 HD1 PHE 45 -4.608 -2.890 2.427 348 HD2 PHE 45 HD2 PHE 45 -4.115 -6.524 4.669 349 HE1 PHE 45 HE1 PHE 45 -6.162 -2.035 4.159 350 HE2 PHE 45 HE2 PHE 45 -5.670 -5.666 6.397 351 HZ PHE 45 HZ PHE 45 -6.691 -3.423 6.143 352 H ALA 46 H ALA 46 -0.866 -5.923 0.646 353 HA ALA 46 HA ALA 46 -0.218 -8.596 1.534 354 1HB ALA 46 1HB ALA 46 -0.524 -7.546 -0.906 355 2HB ALA 46 2HB ALA 46 0.490 -8.965 -0.638 356 3HB ALA 46 3HB ALA 46 1.228 -7.369 -0.781 357 H ALA 47 H ALA 47 1.733 -5.645 1.022 358 HA ALA 47 HA ALA 47 4.263 -6.785 1.725 359 1HB ALA 47 1HB ALA 47 3.841 -4.532 0.602 360 2HB ALA 47 2HB ALA 47 5.064 -4.536 1.873 361 3HB ALA 47 3HB ALA 47 3.449 -3.909 2.206 362 H GLU 48 H GLU 48 1.661 -5.392 3.688 363 HA GLU 48 HA GLU 48 3.057 -5.140 6.158 364 1HB GLU 48 2HB GLU 48 0.398 -4.843 5.268 365 2HB GLU 48 1HB GLU 48 0.331 -6.042 6.561 366 1HG GLU 48 2HG GLU 48 1.409 -4.559 8.112 367 2HG GLU 48 1HG GLU 48 1.812 -3.413 6.831 368 H GLU 49 H GLU 49 1.153 -7.888 4.876 369 HA GLU 49 HA GLU 49 1.704 -9.652 7.090 370 1HB GLU 49 2HB GLU 49 -0.171 -10.002 5.501 371 2HB GLU 49 1HB GLU 49 0.988 -10.325 4.214 372 1HG GLU 49 2HG GLU 49 1.432 -11.942 6.639 373 2HG GLU 49 1HG GLU 49 -0.118 -12.246 5.856 374 H PHE 50 H PHE 50 3.258 -9.134 3.933 375 HA PHE 50 HA PHE 50 5.189 -11.263 4.236 376 1HB PHE 50 2HB PHE 50 4.912 -8.895 2.397 377 2HB PHE 50 1HB PHE 50 6.367 -9.890 2.369 378 HD1 PHE 50 HD1 PHE 50 3.486 -9.455 0.633 379 HD2 PHE 50 HD2 PHE 50 5.531 -12.592 2.739 380 HE1 PHE 50 HE1 PHE 50 2.284 -11.150 -0.719 381 HE2 PHE 50 HE2 PHE 50 4.329 -14.284 1.385 382 HZ PHE 50 HZ PHE 50 2.705 -13.563 -0.342 383 H LYS 51 H LYS 51 4.967 -8.250 5.785 384 HA LYS 51 HA LYS 51 6.434 -7.127 7.213 385 1HB LYS 51 2HB LYS 51 7.461 -9.846 7.073 386 2HB LYS 51 1HB LYS 51 8.775 -8.687 7.265 387 1HG LYS 51 2HG LYS 51 8.201 -8.264 9.407 388 2HG LYS 51 1HG LYS 51 6.509 -8.019 8.972 389 1HD LYS 51 2HD LYS 51 7.027 -10.802 8.702 390 2HD LYS 51 1HD LYS 51 7.722 -10.303 10.245 391 1HE LYS 51 2HE LYS 51 5.659 -10.260 11.145 392 2HE LYS 51 1HE LYS 51 5.203 -8.995 10.006 393 1HZ LYS 51 1HZ LYS 51 4.127 -10.444 8.689 394 2HZ LYS 51 2HZ LYS 51 4.059 -11.403 10.092 395 3HZ LYS 51 3HZ LYS 51 5.258 -11.690 8.922 396 H VAL 52 H VAL 52 6.383 -6.428 4.488 397 HA VAL 52 HA VAL 52 9.192 -5.480 4.111 398 HB VAL 52 HB VAL 52 8.850 -5.695 1.636 399 1HG1 VAL 52 1HG1 VAL 52 10.117 -7.428 2.711 400 2HG1 VAL 52 2HG1 VAL 52 8.996 -8.225 1.607 401 3HG1 VAL 52 3HG1 VAL 52 8.655 -8.192 3.338 402 1HG2 VAL 52 1HG2 VAL 52 6.658 -5.876 1.038 403 2HG2 VAL 52 2HG2 VAL 52 6.194 -6.591 2.583 404 3HG2 VAL 52 3HG2 VAL 52 6.911 -7.597 1.325 405 HA PRO 53 HA PRO 53 7.362 -1.515 3.539 406 1HB PRO 53 2HB PRO 53 9.175 -0.379 1.809 407 2HB PRO 53 1HB PRO 53 9.493 -0.643 3.533 408 1HG PRO 53 2HG PRO 53 10.536 -2.152 1.181 409 2HG PRO 53 1HG PRO 53 11.259 -1.932 2.782 410 1HD PRO 53 2HD PRO 53 9.912 -4.246 1.881 411 2HD PRO 53 1HD PRO 53 10.330 -3.873 3.567 412 H ALA 54 H ALA 54 5.690 -0.788 2.262 413 HA ALA 54 HA ALA 54 5.120 -2.073 -0.291 414 1HB ALA 54 1HB ALA 54 3.017 -1.300 0.044 415 2HB ALA 54 2HB ALA 54 3.577 0.348 0.331 416 3HB ALA 54 3HB ALA 54 3.590 -0.829 1.645 417 H ALA 55 H ALA 55 6.329 1.107 0.722 418 HA ALA 55 HA ALA 55 6.183 2.312 -1.906 419 1HB ALA 55 1HB ALA 55 7.499 3.004 0.701 420 2HB ALA 55 2HB ALA 55 6.301 3.915 -0.226 421 3HB ALA 55 3HB ALA 55 7.984 3.871 -0.762 422 H THR 56 H THR 56 8.704 0.526 -0.149 423 HA THR 56 HA THR 56 10.675 1.001 -2.289 424 HB THR 56 HB THR 56 10.947 -0.895 0.053 425 HG1 THR 56 HG1 THR 56 11.186 0.762 1.307 426 1HG2 THR 56 1HG2 THR 56 13.301 0.577 -0.700 427 2HG2 THR 56 2HG2 THR 56 12.609 -0.194 -2.130 428 3HG2 THR 56 3HG2 THR 56 13.035 -1.167 -0.721 429 H SER 57 H SER 57 8.803 -1.763 -0.998 430 HA SER 57 HA SER 57 9.878 -3.604 -2.994 431 1HB SER 57 2HB SER 57 8.970 -4.187 -0.646 432 2HB SER 57 1HB SER 57 7.374 -4.069 -1.379 433 HG SER 57 HG SER 57 8.732 -6.174 -1.366 434 H ALA 58 H ALA 58 8.601 -4.643 -4.645 435 HA ALA 58 HA ALA 58 6.235 -3.072 -5.591 436 1HB ALA 58 1HB ALA 58 7.197 -3.780 -7.946 437 2HB ALA 58 2HB ALA 58 8.724 -3.883 -7.068 438 3HB ALA 58 3HB ALA 58 7.840 -2.356 -7.127 439 H ILE 59 H ILE 59 4.999 -4.424 -7.319 440 HA ILE 59 HA ILE 59 5.088 -7.317 -6.541 441 HB ILE 59 HB ILE 59 2.762 -5.428 -6.815 442 1HG1 ILE 59 2HG1 ILE 59 3.365 -7.722 -4.918 443 2HG1 ILE 59 1HG1 ILE 59 3.736 -6.029 -4.592 444 1HG2 ILE 59 1HG2 ILE 59 1.904 -7.011 -8.282 445 2HG2 ILE 59 2HG2 ILE 59 1.410 -7.712 -6.741 446 3HG2 ILE 59 3HG2 ILE 59 2.838 -8.330 -7.572 447 1HD1 ILE 59 1HD1 ILE 59 1.438 -7.169 -3.788 448 2HD1 ILE 59 2HD1 ILE 59 0.937 -6.662 -5.402 449 3HD1 ILE 59 3HD1 ILE 59 1.532 -5.468 -4.248 450 H ILE 60 H ILE 60 5.610 -8.568 -8.268 451 HA ILE 60 HA ILE 60 5.154 -7.478 -11.000 452 HB ILE 60 HB ILE 60 6.660 -9.317 -11.749 453 1HG1 ILE 60 2HG1 ILE 60 7.600 -9.899 -9.012 454 2HG1 ILE 60 1HG1 ILE 60 5.987 -10.520 -9.365 455 1HG2 ILE 60 1HG2 ILE 60 8.191 -7.693 -11.486 456 2HG2 ILE 60 2HG2 ILE 60 8.532 -8.350 -9.884 457 3HG2 ILE 60 3HG2 ILE 60 7.347 -7.056 -10.073 458 1HD1 ILE 60 1HD1 ILE 60 8.499 -11.028 -10.984 459 2HD1 ILE 60 2HD1 ILE 60 6.885 -11.571 -11.444 460 3HD1 ILE 60 3HD1 ILE 60 7.645 -12.201 -9.982 461 H THR 61 H THR 61 4.615 -9.352 -12.657 462 HA THR 61 HA THR 61 2.226 -10.764 -11.567 463 HB THR 61 HB THR 61 1.523 -10.963 -13.938 464 HG1 THR 61 HG1 THR 61 2.821 -10.398 -15.512 465 1HG2 THR 61 1HG2 THR 61 0.953 -8.659 -14.257 466 2HG2 THR 61 2HG2 THR 61 2.348 -8.119 -13.323 467 3HG2 THR 61 3HG2 THR 61 1.005 -8.929 -12.515 468 H ASN 62 H ASN 62 1.787 -12.933 -12.773 469 HA ASN 62 HA ASN 62 3.957 -14.741 -12.212 470 1HB ASN 62 2HB ASN 62 1.231 -14.975 -13.429 471 2HB ASN 62 1HB ASN 62 2.365 -16.305 -13.669 472 1HD2 ASN 62 1HD2 ASN 62 2.456 -17.815 -11.988 473 2HD2 ASN 62 2HD2 ASN 62 1.909 -17.537 -10.406 474 H ASP 63 H ASP 63 2.997 -12.983 -15.085 475 HA ASP 63 HA ASP 63 4.543 -14.641 -16.935 476 1HB ASP 63 2HB ASP 63 2.856 -12.205 -17.092 477 2HB ASP 63 1HB ASP 63 4.166 -12.294 -18.269 478 H GLY 64 H GLY 64 4.898 -11.276 -15.726 479 1HA GLY 64 2HA GLY 64 7.424 -11.133 -14.820 480 2HA GLY 64 1HA GLY 64 7.739 -11.279 -16.549 481 H VAL 65 H VAL 65 5.310 -9.459 -14.640 482 HA VAL 65 HA VAL 65 6.233 -6.971 -16.030 483 HB VAL 65 HB VAL 65 3.385 -7.700 -15.258 484 1HG1 VAL 65 1HG1 VAL 65 4.400 -5.351 -16.882 485 2HG1 VAL 65 2HG1 VAL 65 4.022 -5.253 -15.161 486 3HG1 VAL 65 3HG1 VAL 65 2.750 -5.632 -16.324 487 1HG2 VAL 65 1HG2 VAL 65 4.556 -8.858 -17.295 488 2HG2 VAL 65 2HG2 VAL 65 4.404 -7.278 -18.064 489 3HG2 VAL 65 3HG2 VAL 65 2.962 -8.141 -17.528 490 H GLY 66 H GLY 66 7.062 -5.577 -14.555 491 1HA GLY 66 2HA GLY 66 6.682 -5.940 -11.703 492 2HA GLY 66 1HA GLY 66 7.582 -4.632 -12.464 493 H VAL 67 H VAL 67 4.376 -5.707 -11.505 494 HA VAL 67 HA VAL 67 2.980 -3.296 -12.290 495 HB VAL 67 HB VAL 67 2.167 -5.267 -10.130 496 1HG1 VAL 67 1HG1 VAL 67 -0.089 -4.527 -10.649 497 2HG1 VAL 67 2HG1 VAL 67 0.506 -3.517 -11.969 498 3HG1 VAL 67 3HG1 VAL 67 0.900 -3.109 -10.297 499 1HG2 VAL 67 1HG2 VAL 67 2.164 -5.450 -13.117 500 2HG2 VAL 67 2HG2 VAL 67 0.767 -6.094 -12.253 501 3HG2 VAL 67 3HG2 VAL 67 2.380 -6.724 -11.914 502 H ASN 68 H ASN 68 2.762 -1.400 -11.198 503 HA ASN 68 HA ASN 68 4.066 -1.187 -8.516 504 1HB ASN 68 2HB ASN 68 3.779 0.692 -10.840 505 2HB ASN 68 1HB ASN 68 3.933 1.363 -9.217 506 1HD2 ASN 68 1HD2 ASN 68 6.041 1.501 -8.375 507 2HD2 ASN 68 2HD2 ASN 68 7.395 0.732 -9.051 508 HA PRO 69 HA PRO 69 0.226 -0.031 -6.707 509 1HB PRO 69 2HB PRO 69 1.100 1.724 -4.775 510 2HB PRO 69 1HB PRO 69 1.316 -0.030 -4.674 511 1HG PRO 69 2HG PRO 69 3.331 2.075 -5.292 512 2HG PRO 69 1HG PRO 69 3.569 0.468 -4.588 513 1HD PRO 69 2HD PRO 69 4.071 1.199 -7.280 514 2HD PRO 69 1HD PRO 69 4.007 -0.456 -6.638 515 H ALA 70 H ALA 70 0.035 1.207 -8.975 516 HA ALA 70 HA ALA 70 -0.534 4.079 -8.354 517 1HB ALA 70 1HB ALA 70 0.343 3.168 -11.091 518 2HB ALA 70 2HB ALA 70 1.529 3.590 -9.853 519 3HB ALA 70 3HB ALA 70 0.365 4.795 -10.408 520 H GLN 71 H GLN 71 -1.444 1.183 -10.197 521 HA GLN 71 HA GLN 71 -3.813 2.494 -11.352 522 1HB GLN 71 2HB GLN 71 -2.813 -0.369 -11.413 523 2HB GLN 71 1HB GLN 71 -4.268 0.180 -12.244 524 1HG GLN 71 2HG GLN 71 -3.022 0.904 -13.968 525 2HG GLN 71 1HG GLN 71 -2.146 1.988 -12.887 526 1HE2 GLN 71 1HE2 GLN 71 -0.070 1.275 -12.054 527 2HE2 GLN 71 2HE2 GLN 71 0.710 -0.108 -12.655 528 HA PRO 72 HA PRO 72 -6.673 1.265 -8.227 529 1HB PRO 72 2HB PRO 72 -8.927 0.885 -9.756 530 2HB PRO 72 1HB PRO 72 -8.269 2.482 -9.358 531 1HG PRO 72 2HG PRO 72 -8.161 0.998 -11.940 532 2HG PRO 72 1HG PRO 72 -8.096 2.743 -11.645 533 1HD PRO 72 2HD PRO 72 -5.883 1.075 -12.229 534 2HD PRO 72 1HD PRO 72 -5.805 2.743 -11.623 535 H ALA 73 H ALA 73 -7.858 -0.587 -7.382 536 HA ALA 73 HA ALA 73 -6.784 -3.140 -7.953 537 1HB ALA 73 1HB ALA 73 -8.672 -4.035 -6.612 538 2HB ALA 73 2HB ALA 73 -9.458 -2.458 -6.694 539 3HB ALA 73 3HB ALA 73 -7.925 -2.635 -5.841 540 H GLY 74 H GLY 74 -9.814 -1.661 -9.140 541 1HA GLY 74 2HA GLY 74 -10.861 -3.910 -10.514 542 2HA GLY 74 1HA GLY 74 -11.172 -2.234 -10.966 543 H ASN 75 H ASN 75 -8.557 -1.418 -11.640 544 HA ASN 75 HA ASN 75 -8.312 -2.504 -14.314 545 1HB ASN 75 2HB ASN 75 -7.496 -0.179 -13.043 546 2HB ASN 75 1HB ASN 75 -5.977 -1.032 -13.318 547 1HD2 ASN 75 1HD2 ASN 75 -8.929 0.100 -15.033 548 2HD2 ASN 75 2HD2 ASN 75 -8.180 0.227 -16.551 549 H ILE 76 H ILE 76 -6.470 -2.930 -11.295 550 HA ILE 76 HA ILE 76 -4.300 -4.446 -12.372 551 HB ILE 76 HB ILE 76 -5.588 -4.577 -9.623 552 1HG1 ILE 76 2HG1 ILE 76 -4.672 -2.347 -10.340 553 2HG1 ILE 76 1HG1 ILE 76 -3.831 -3.034 -8.953 554 1HG2 ILE 76 1HG2 ILE 76 -4.256 -6.382 -9.330 555 2HG2 ILE 76 2HG2 ILE 76 -2.903 -5.251 -9.378 556 3HG2 ILE 76 3HG2 ILE 76 -3.400 -6.095 -10.845 557 1HD1 ILE 76 1HD1 ILE 76 -2.902 -3.050 -11.839 558 2HD1 ILE 76 2HD1 ILE 76 -2.104 -3.947 -10.546 559 3HD1 ILE 76 3HD1 ILE 76 -2.164 -2.185 -10.489 560 H PHE 77 H PHE 77 -7.495 -5.455 -11.156 561 HA PHE 77 HA PHE 77 -7.003 -8.293 -11.558 562 1HB PHE 77 2HB PHE 77 -8.706 -7.226 -9.966 563 2HB PHE 77 1HB PHE 77 -9.705 -6.945 -11.392 564 HD1 PHE 77 HD1 PHE 77 -10.736 -8.792 -12.601 565 HD2 PHE 77 HD2 PHE 77 -8.234 -9.509 -9.183 566 HE1 PHE 77 HE1 PHE 77 -11.553 -11.130 -12.494 567 HE2 PHE 77 HE2 PHE 77 -9.051 -11.849 -9.078 568 HZ PHE 77 HZ PHE 77 -10.710 -12.659 -10.733 569 H LEU 78 H LEU 78 -8.466 -5.691 -13.471 570 HA LEU 78 HA LEU 78 -9.598 -7.359 -15.519 571 1HB LEU 78 2HB LEU 78 -9.193 -4.512 -15.045 572 2HB LEU 78 1HB LEU 78 -8.915 -4.929 -16.734 573 HG LEU 78 HG LEU 78 -11.294 -4.346 -16.267 574 1HD1 LEU 78 1HD1 LEU 78 -10.813 -5.825 -18.133 575 2HD1 LEU 78 2HD1 LEU 78 -12.266 -6.406 -17.318 576 3HD1 LEU 78 3HD1 LEU 78 -10.722 -7.219 -17.055 577 1HD2 LEU 78 1HD2 LEU 78 -12.572 -6.245 -15.038 578 2HD2 LEU 78 2HD2 LEU 78 -11.683 -5.080 -14.056 579 3HD2 LEU 78 3HD2 LEU 78 -10.998 -6.675 -14.369 580 H LYS 79 H LYS 79 -6.364 -5.949 -15.096 581 HA LYS 79 HA LYS 79 -5.529 -6.930 -17.760 582 1HB LYS 79 2HB LYS 79 -4.612 -4.902 -15.898 583 2HB LYS 79 1HB LYS 79 -3.281 -5.962 -16.362 584 1HG LYS 79 2HG LYS 79 -3.832 -5.607 -18.744 585 2HG LYS 79 1HG LYS 79 -5.157 -4.538 -18.276 586 1HD LYS 79 2HD LYS 79 -2.540 -3.863 -17.062 587 2HD LYS 79 1HD LYS 79 -2.603 -3.683 -18.819 588 1HE LYS 79 2HE LYS 79 -3.834 -1.805 -18.628 589 2HE LYS 79 1HE LYS 79 -5.031 -2.640 -17.635 590 1HZ LYS 79 1HZ LYS 79 -3.071 -2.347 -15.870 591 2HZ LYS 79 2HZ LYS 79 -4.302 -1.198 -16.092 592 3HZ LYS 79 3HZ LYS 79 -2.789 -0.979 -16.830 593 H HIS 80 H HIS 80 -4.486 -7.380 -14.349 594 HA HIS 80 HA HIS 80 -3.000 -9.814 -15.176 595 1HB HIS 80 2HB HIS 80 -3.129 -8.659 -12.384 596 2HB HIS 80 1HB HIS 80 -1.882 -9.693 -13.081 597 HD1 HIS 80 HD1 HIS 80 -0.952 -8.393 -15.525 598 HD2 HIS 80 HD2 HIS 80 -2.145 -6.092 -12.260 599 HE1 HIS 80 HE1 HIS 80 0.108 -6.114 -15.829 600 H GLY 81 H GLY 81 -5.326 -8.934 -12.582 601 1HA GLY 81 2HA GLY 81 -7.340 -10.225 -12.141 602 2HA GLY 81 1HA GLY 81 -6.580 -11.618 -12.911 603 H SER 82 H SER 82 -5.710 -13.120 -11.560 604 HA SER 82 HA SER 82 -5.038 -12.264 -8.770 605 1HB SER 82 2HB SER 82 -6.968 -14.150 -9.614 606 2HB SER 82 1HB SER 82 -5.629 -15.090 -8.963 607 HG SER 82 HG SER 82 -6.939 -14.533 -7.260 608 H GLU 83 H GLU 83 -3.210 -12.356 -11.056 609 HA GLU 83 HA GLU 83 -1.391 -14.547 -10.131 610 1HB GLU 83 2HB GLU 83 -2.040 -13.544 -12.882 611 2HB GLU 83 1HB GLU 83 -0.410 -14.139 -12.564 612 1HG GLU 83 2HG GLU 83 -1.152 -16.255 -12.747 613 2HG GLU 83 1HG GLU 83 -2.235 -15.985 -11.380 614 H LEU 84 H LEU 84 -0.509 -13.054 -8.561 615 HA LEU 84 HA LEU 84 1.363 -11.067 -9.778 616 1HB LEU 84 2HB LEU 84 -0.401 -10.687 -7.342 617 2HB LEU 84 1HB LEU 84 0.928 -9.610 -7.765 618 HG LEU 84 HG LEU 84 -1.205 -10.256 -9.791 619 1HD1 LEU 84 1HD1 LEU 84 -1.724 -9.010 -7.308 620 2HD1 LEU 84 2HD1 LEU 84 -2.773 -9.044 -8.726 621 3HD1 LEU 84 3HD1 LEU 84 -1.642 -7.709 -8.497 622 1HD2 LEU 84 1HD2 LEU 84 0.914 -9.105 -10.453 623 2HD2 LEU 84 2HD2 LEU 84 0.529 -7.810 -9.319 624 3HD2 LEU 84 3HD2 LEU 84 -0.514 -8.101 -10.712 625 H ARG 85 H ARG 85 3.054 -10.398 -8.043 626 HA ARG 85 HA ARG 85 3.696 -12.512 -6.080 627 1HB ARG 85 2HB ARG 85 5.117 -12.121 -8.662 628 2HB ARG 85 1HB ARG 85 6.136 -12.329 -7.238 629 1HG ARG 85 2HG ARG 85 5.696 -14.534 -7.175 630 2HG ARG 85 1HG ARG 85 3.960 -14.231 -7.176 631 1HD ARG 85 2HD ARG 85 3.847 -14.982 -9.291 632 2HD ARG 85 1HD ARG 85 4.907 -13.668 -9.800 633 HE ARG 85 HE ARG 85 6.671 -15.531 -8.786 634 1HH1 ARG 85 2HH1 ARG 85 4.377 -17.426 -9.648 635 2HH1 ARG 85 1HH1 ARG 85 4.924 -17.887 -11.227 636 1HH2 ARG 85 1HH2 ARG 85 7.279 -15.335 -11.443 637 2HH2 ARG 85 2HH2 ARG 85 6.574 -16.703 -12.240 638 H LEU 86 H LEU 86 5.412 -11.818 -4.591 639 HA LEU 86 HA LEU 86 5.625 -8.845 -4.480 640 1HB LEU 86 2HB LEU 86 4.692 -10.300 -2.532 641 2HB LEU 86 1HB LEU 86 6.383 -10.701 -2.234 642 HG LEU 86 HG LEU 86 6.401 -7.933 -2.603 643 1HD1 LEU 86 1HD1 LEU 86 3.768 -8.534 -2.106 644 2HD1 LEU 86 2HD1 LEU 86 4.533 -6.994 -1.711 645 3HD1 LEU 86 3HD1 LEU 86 4.380 -8.244 -0.477 646 1HD2 LEU 86 1HD2 LEU 86 7.221 -9.821 -0.726 647 2HD2 LEU 86 2HD2 LEU 86 6.152 -8.762 0.191 648 3HD2 LEU 86 3HD2 LEU 86 7.544 -8.087 -0.657 649 H ILE 87 H ILE 87 7.526 -7.936 -5.000 650 HA ILE 87 HA ILE 87 10.057 -9.433 -4.524 651 HB ILE 87 HB ILE 87 9.567 -9.824 -6.868 652 1HG1 ILE 87 2HG1 ILE 87 11.544 -7.526 -6.710 653 2HG1 ILE 87 1HG1 ILE 87 11.918 -9.181 -6.231 654 1HG2 ILE 87 1HG2 ILE 87 9.601 -7.259 -8.042 655 2HG2 ILE 87 2HG2 ILE 87 8.468 -7.152 -6.696 656 3HG2 ILE 87 3HG2 ILE 87 8.235 -8.369 -7.949 657 1HD1 ILE 87 1HD1 ILE 87 11.508 -9.993 -8.474 658 2HD1 ILE 87 2HD1 ILE 87 12.613 -8.623 -8.586 659 3HD1 ILE 87 3HD1 ILE 87 10.907 -8.414 -8.983 660 HA PRO 88 HA PRO 88 11.093 -5.462 -2.845 661 1HB PRO 88 2HB PRO 88 13.754 -6.000 -2.378 662 2HB PRO 88 1HB PRO 88 12.436 -6.575 -1.344 663 1HG PRO 88 2HG PRO 88 14.056 -8.094 -3.343 664 2HG PRO 88 1HG PRO 88 13.262 -8.673 -1.867 665 1HD PRO 88 2HD PRO 88 12.282 -9.022 -4.480 666 2HD PRO 88 1HD PRO 88 11.330 -9.203 -2.991 667 H ARG 89 H ARG 89 11.100 -3.858 -4.403 668 HA ARG 89 HA ARG 89 12.946 -3.943 -6.682 669 1HB ARG 89 2HB ARG 89 10.477 -2.947 -6.496 670 2HB ARG 89 1HB ARG 89 11.362 -1.493 -6.031 671 1HG ARG 89 2HG ARG 89 12.721 -1.655 -8.079 672 2HG ARG 89 1HG ARG 89 11.841 -3.110 -8.550 673 1HD ARG 89 2HD ARG 89 9.721 -1.593 -8.259 674 2HD ARG 89 1HD ARG 89 10.873 -0.268 -8.437 675 HE ARG 89 HE ARG 89 11.511 -1.796 -10.587 676 1HH1 ARG 89 1HH2 ARG 89 8.913 -3.177 -10.570 677 2HH1 ARG 89 2HH2 ARG 89 7.901 -2.129 -11.509 678 1HH2 ARG 89 2HH1 ARG 89 10.039 0.606 -11.229 679 2HH2 ARG 89 1HH1 ARG 89 8.544 0.026 -11.883 680 H ASP 90 H ASP 90 14.992 -3.818 -5.593 681 HA ASP 90 HA ASP 90 15.645 -1.064 -4.629 682 1HB ASP 90 2HB ASP 90 16.508 -3.704 -3.409 683 2HB ASP 90 1HB ASP 90 17.250 -2.155 -3.011 684 H ARG 91 H ARG 91 17.071 -4.170 -5.722 685 HA ARG 91 HA ARG 91 19.349 -2.675 -6.905 686 1HB ARG 91 2HB ARG 91 19.299 -5.050 -5.566 687 2HB ARG 91 1HB ARG 91 19.196 -5.617 -7.233 688 1HG ARG 91 2HG ARG 91 21.133 -3.727 -7.491 689 2HG ARG 91 1HG ARG 91 21.430 -4.256 -5.835 690 1HD ARG 91 2HD ARG 91 22.096 -6.351 -6.476 691 2HD ARG 91 1HD ARG 91 20.964 -6.413 -7.829 692 HE ARG 91 HE ARG 91 23.619 -5.047 -7.887 693 1HH1 ARG 91 2HH1 ARG 91 22.431 -7.574 -9.417 694 2HH1 ARG 91 1HH1 ARG 91 22.349 -6.903 -11.011 695 1HH2 ARG 91 1HH2 ARG 91 22.825 -3.631 -9.952 696 2HH2 ARG 91 2HH2 ARG 91 22.572 -4.671 -11.314 697 H VAL 92 H VAL 92 16.965 -5.158 -7.906 698 HA VAL 92 HA VAL 92 17.486 -4.524 -10.747 699 HB VAL 92 HB VAL 92 15.956 -6.410 -11.215 700 1HG1 VAL 92 1HG1 VAL 92 17.355 -8.179 -10.249 701 2HG1 VAL 92 2HG1 VAL 92 17.999 -7.043 -9.063 702 3HG1 VAL 92 3HG1 VAL 92 18.360 -6.829 -10.777 703 1HG2 VAL 92 1HG2 VAL 92 15.714 -6.560 -8.189 704 2HG2 VAL 92 2HG2 VAL 92 15.061 -7.738 -9.327 705 3HG2 VAL 92 3HG2 VAL 92 14.425 -6.093 -9.300 706 H GLY 93 H GLY 93 15.726 -3.957 -12.211 707 1HA GLY 93 2HA GLY 93 13.806 -2.089 -10.956 708 2HA GLY 93 1HA GLY 93 14.148 -2.217 -12.683 709 H HIS 94 HN HIS 94 12.819 -4.258 -10.056 710 HA HIS 94 HA HIS 94 10.480 -4.878 -11.757 711 1HB HIS 94 2HB HIS 94 12.668 -6.638 -11.630 712 2HB HIS 94 1HB HIS 94 11.471 -7.326 -10.535 713 HD1 HIS 94 HD1 HIS 94 11.353 -9.222 -12.509 714 HD2 HIS 94 HD2 HIS 94 9.757 -5.484 -13.432 715 HE1 HIS 94 HE1 HIS 94 9.870 -9.555 -14.535 Start of MODEL 19 1 1H MET 1 1H MET 1 -19.017 -6.600 1.267 2 2H MET 1 2H MET 1 -19.356 -4.937 1.192 3 3H MET 1 3H MET 1 -20.510 -6.066 0.663 4 HA MET 1 HA MET 1 -21.058 -5.136 2.858 5 1HB MET 1 2HB MET 1 -20.653 -8.009 2.260 6 2HB MET 1 1HB MET 1 -20.834 -7.625 3.970 7 1HG MET 1 2HG MET 1 -22.959 -6.608 3.619 8 2HG MET 1 1HG MET 1 -22.746 -6.583 1.872 9 1HE MET 1 1HE MET 1 -23.051 -8.183 0.358 10 2HE MET 1 2HE MET 1 -24.738 -8.149 0.858 11 3HE MET 1 3HE MET 1 -23.949 -9.693 0.551 12 H SER 2 H SER 2 -20.484 -5.059 5.139 13 HA SER 2 HA SER 2 -17.566 -5.483 5.668 14 1HB SER 2 2HB SER 2 -17.746 -3.488 7.211 15 2HB SER 2 1HB SER 2 -17.906 -3.103 5.501 16 HG SER 2 HG SER 2 -19.976 -2.662 5.786 17 H GLY 3 H GLY 3 -17.210 -6.856 7.337 18 1HA GLY 3 2HA GLY 3 -17.522 -8.022 9.352 19 2HA GLY 3 1HA GLY 3 -18.706 -6.794 9.799 20 H GLY 4 H GLY 4 -20.884 -7.218 9.502 21 1HA GLY 4 2HA GLY 4 -21.575 -10.017 8.828 22 2HA GLY 4 1HA GLY 4 -22.637 -8.856 9.621 23 H THR 5 H THR 5 -23.083 -6.833 8.114 24 HA THR 5 HA THR 5 -23.220 -7.497 5.243 25 HB THR 5 HB THR 5 -25.238 -8.594 6.161 26 HG1 THR 5 HG1 THR 5 -25.505 -7.741 4.146 27 1HG2 THR 5 1HG2 THR 5 -25.594 -7.269 8.157 28 2HG2 THR 5 2HG2 THR 5 -27.029 -7.135 7.140 29 3HG2 THR 5 3HG2 THR 5 -25.859 -5.815 7.195 30 H ALA 6 H ALA 6 -24.380 -5.570 4.057 31 HA ALA 6 HA ALA 6 -24.599 -3.017 5.362 32 1HB ALA 6 1HB ALA 6 -21.936 -3.822 4.875 33 2HB ALA 6 2HB ALA 6 -22.493 -2.213 5.329 34 3HB ALA 6 3HB ALA 6 -22.313 -2.636 3.627 35 H ALA 7 H ALA 7 -23.430 -4.375 2.253 36 HA ALA 7 HA ALA 7 -25.411 -2.627 0.850 37 1HB ALA 7 1HB ALA 7 -23.996 -2.676 -1.058 38 2HB ALA 7 2HB ALA 7 -23.083 -4.056 -0.445 39 3HB ALA 7 3HB ALA 7 -22.897 -2.471 0.307 40 H THR 8 H THR 8 -25.982 -3.818 -1.421 41 HA THR 8 HA THR 8 -27.575 -6.111 -0.717 42 HB THR 8 HB THR 8 -27.883 -6.286 -3.254 43 HG1 THR 8 HG1 THR 8 -26.416 -5.265 -4.333 44 1HG2 THR 8 1HG2 THR 8 -29.337 -4.961 -1.661 45 2HG2 THR 8 2HG2 THR 8 -29.326 -4.367 -3.322 46 3HG2 THR 8 3HG2 THR 8 -28.379 -3.540 -2.083 47 H THR 9 H THR 9 -27.332 -8.302 -1.365 48 HA THR 9 HA THR 9 -24.609 -9.304 -1.323 49 HB THR 9 HB THR 9 -25.755 -11.544 -1.659 50 HG1 THR 9 HG1 THR 9 -27.552 -10.778 -2.814 51 1HG2 THR 9 1HG2 THR 9 -27.284 -11.060 0.514 52 2HG2 THR 9 2HG2 THR 9 -26.272 -9.616 0.537 53 3HG2 THR 9 3HG2 THR 9 -25.530 -11.214 0.591 54 H ALA 10 H ALA 10 -23.764 -8.241 -3.296 55 HA ALA 10 HA ALA 10 -24.711 -9.525 -5.827 56 1HB ALA 10 1HB ALA 10 -24.795 -7.005 -5.687 57 2HB ALA 10 2HB ALA 10 -23.825 -7.628 -7.022 58 3HB ALA 10 3HB ALA 10 -23.035 -7.015 -5.568 59 H GLY 11 H GLY 11 -21.730 -8.566 -4.073 60 1HA GLY 11 2HA GLY 11 -19.690 -9.773 -3.967 61 2HA GLY 11 1HA GLY 11 -20.379 -10.970 -5.063 62 H SER 12 H SER 12 -19.482 -7.491 -5.195 63 HA SER 12 HA SER 12 -18.308 -8.020 -7.901 64 1HB SER 12 2HB SER 12 -20.032 -5.880 -6.865 65 2HB SER 12 1HB SER 12 -18.606 -5.269 -7.696 66 HG SER 12 HG SER 12 -20.192 -5.621 -9.218 67 H LYS 13 H LYS 13 -16.453 -8.741 -6.354 68 HA LYS 13 HA LYS 13 -14.709 -6.366 -5.815 69 1HB LYS 13 2HB LYS 13 -14.804 -8.908 -4.160 70 2HB LYS 13 1HB LYS 13 -13.794 -7.497 -3.856 71 1HG LYS 13 2HG LYS 13 -15.822 -6.117 -3.533 72 2HG LYS 13 1HG LYS 13 -16.828 -7.538 -3.813 73 1HD LYS 13 2HD LYS 13 -16.495 -8.315 -1.713 74 2HD LYS 13 1HD LYS 13 -14.759 -8.015 -1.798 75 1HE LYS 13 2HE LYS 13 -15.329 -5.530 -1.498 76 2HE LYS 13 1HE LYS 13 -16.945 -6.071 -1.040 77 1HZ LYS 13 1HZ LYS 13 -16.220 -6.668 0.953 78 2HZ LYS 13 2HZ LYS 13 -14.750 -5.894 0.597 79 3HZ LYS 13 3HZ LYS 13 -14.927 -7.559 0.313 80 H VAL 14 H VAL 14 -12.399 -6.816 -6.024 81 HA VAL 14 HA VAL 14 -11.845 -9.088 -7.890 82 HB VAL 14 HB VAL 14 -9.755 -7.678 -8.444 83 1HG1 VAL 14 1HG1 VAL 14 -12.472 -6.524 -9.132 84 2HG1 VAL 14 2HG1 VAL 14 -11.753 -7.931 -9.915 85 3HG1 VAL 14 3HG1 VAL 14 -10.990 -6.349 -10.071 86 1HG2 VAL 14 1HG2 VAL 14 -10.046 -6.175 -6.433 87 2HG2 VAL 14 2HG2 VAL 14 -11.462 -5.485 -7.227 88 3HG2 VAL 14 3HG2 VAL 14 -9.868 -5.311 -7.958 89 H THR 15 H THR 15 -10.633 -10.715 -7.078 90 HA THR 15 HA THR 15 -9.160 -10.280 -4.527 91 HB THR 15 HB THR 15 -9.758 -12.890 -5.956 92 HG1 THR 15 HG1 THR 15 -11.680 -12.698 -5.179 93 1HG2 THR 15 1HG2 THR 15 -9.370 -13.818 -3.657 94 2HG2 THR 15 2HG2 THR 15 -8.846 -12.212 -3.147 95 3HG2 THR 15 3HG2 THR 15 -7.932 -13.089 -4.373 96 H PHE 16 H PHE 16 -6.931 -10.498 -4.409 97 HA PHE 16 HA PHE 16 -5.506 -11.165 -6.958 98 1HB PHE 16 2HB PHE 16 -4.603 -9.192 -4.845 99 2HB PHE 16 1HB PHE 16 -3.822 -9.507 -6.392 100 HD1 PHE 16 HD1 PHE 16 -6.221 -7.484 -4.684 101 HD2 PHE 16 HD2 PHE 16 -5.287 -9.160 -8.530 102 HE1 PHE 16 HE1 PHE 16 -7.681 -5.802 -5.775 103 HE2 PHE 16 HE2 PHE 16 -6.745 -7.476 -9.617 104 HZ PHE 16 HZ PHE 16 -7.942 -5.799 -8.239 105 H LYS 17 H LYS 17 -3.924 -12.681 -6.809 106 HA LYS 17 HA LYS 17 -3.244 -13.739 -4.095 107 1HB LYS 17 2HB LYS 17 -4.310 -15.160 -6.112 108 2HB LYS 17 1HB LYS 17 -2.613 -15.292 -6.570 109 1HG LYS 17 2HG LYS 17 -2.951 -15.720 -3.715 110 2HG LYS 17 1HG LYS 17 -3.950 -16.837 -4.645 111 1HD LYS 17 2HD LYS 17 -1.832 -17.239 -6.074 112 2HD LYS 17 1HD LYS 17 -0.957 -16.474 -4.748 113 1HE LYS 17 2HE LYS 17 -2.325 -18.162 -3.257 114 2HE LYS 17 1HE LYS 17 -2.482 -19.061 -4.765 115 1HZ LYS 17 1HZ LYS 17 -0.257 -19.473 -4.864 116 2HZ LYS 17 2HZ LYS 17 -0.456 -19.431 -3.178 117 3HZ LYS 17 3HZ LYS 17 0.173 -18.080 -3.994 118 H ILE 18 H ILE 18 -1.408 -12.599 -3.528 119 HA ILE 18 HA ILE 18 0.764 -12.334 -5.557 120 HB ILE 18 HB ILE 18 0.582 -10.971 -2.857 121 1HG1 ILE 18 2HG1 ILE 18 0.076 -9.103 -4.898 122 2HG1 ILE 18 1HG1 ILE 18 -0.937 -10.491 -5.293 123 1HG2 ILE 18 1HG2 ILE 18 2.174 -10.419 -5.379 124 2HG2 ILE 18 2HG2 ILE 18 2.815 -11.016 -3.847 125 3HG2 ILE 18 3HG2 ILE 18 2.159 -9.382 -3.954 126 1HD1 ILE 18 1HD1 ILE 18 -0.841 -9.066 -2.617 127 2HD1 ILE 18 2HD1 ILE 18 -1.830 -10.481 -2.980 128 3HD1 ILE 18 3HD1 ILE 18 -2.143 -8.951 -3.802 129 H THR 19 H THR 19 2.575 -13.558 -5.350 130 HA THR 19 HA THR 19 2.971 -15.083 -2.808 131 HB THR 19 HB THR 19 4.090 -15.670 -5.571 132 HG1 THR 19 HG1 THR 19 2.204 -16.490 -5.906 133 1HG2 THR 19 1HG2 THR 19 5.510 -16.626 -3.895 134 2HG2 THR 19 2HG2 THR 19 4.482 -17.935 -4.479 135 3HG2 THR 19 3HG2 THR 19 4.128 -17.158 -2.937 136 H LEU 20 H LEU 20 4.646 -14.413 -1.556 137 HA LEU 20 HA LEU 20 6.438 -12.306 -2.348 138 1HB LEU 20 2HB LEU 20 5.708 -12.944 0.023 139 2HB LEU 20 1HB LEU 20 6.902 -14.235 -0.063 140 HG LEU 20 HG LEU 20 8.653 -12.527 -0.569 141 1HD1 LEU 20 1HD1 LEU 20 8.108 -10.397 -1.067 142 2HD1 LEU 20 2HD1 LEU 20 7.160 -10.242 0.412 143 3HD1 LEU 20 3HD1 LEU 20 6.415 -10.887 -1.049 144 1HD2 LEU 20 1HD2 LEU 20 7.544 -11.413 1.907 145 2HD2 LEU 20 2HD2 LEU 20 9.025 -12.334 1.655 146 3HD2 LEU 20 3HD2 LEU 20 7.492 -13.176 1.867 147 H THR 21 H THR 21 8.553 -12.386 -3.087 148 HA THR 21 HA THR 21 9.723 -15.098 -3.570 149 HB THR 21 HB THR 21 10.615 -14.247 -5.719 150 HG1 THR 21 HG1 THR 21 8.981 -11.979 -5.248 151 1HG2 THR 21 1HG2 THR 21 8.488 -14.189 -6.944 152 2HG2 THR 21 2HG2 THR 21 7.621 -13.856 -5.445 153 3HG2 THR 21 3HG2 THR 21 8.430 -15.408 -5.670 154 H SER 22 H SER 22 10.373 -13.622 -1.276 155 HA SER 22 HA SER 22 13.251 -13.253 -1.683 156 1HB SER 22 2HB SER 22 11.500 -10.966 -1.701 157 2HB SER 22 1HB SER 22 12.518 -10.905 -0.265 158 HG SER 22 HG SER 22 13.762 -10.027 -1.814 159 H ASP 23 H ASP 23 10.823 -12.196 0.758 160 HA ASP 23 HA ASP 23 12.511 -13.294 2.902 161 1HB ASP 23 2HB ASP 23 10.120 -11.544 2.730 162 2HB ASP 23 1HB ASP 23 10.216 -12.559 4.167 163 HA PRO 24 HA PRO 24 10.463 -17.194 3.088 164 1HB PRO 24 2HB PRO 24 11.255 -17.897 5.625 165 2HB PRO 24 1HB PRO 24 12.320 -17.956 4.210 166 1HG PRO 24 2HG PRO 24 12.276 -15.980 6.445 167 2HG PRO 24 1HG PRO 24 13.626 -16.475 5.411 168 1HD PRO 24 2HD PRO 24 12.137 -14.087 5.151 169 2HD PRO 24 1HD PRO 24 13.243 -14.764 3.935 170 H LYS 25 H LYS 25 9.856 -14.715 5.519 171 HA LYS 25 HA LYS 25 7.748 -16.068 6.941 172 1HB LYS 25 2HB LYS 25 8.387 -13.122 6.595 173 2HB LYS 25 1HB LYS 25 7.131 -13.730 7.673 174 1HG LYS 25 2HG LYS 25 8.811 -13.781 9.212 175 2HG LYS 25 1HG LYS 25 9.244 -15.294 8.417 176 1HD LYS 25 2HD LYS 25 11.108 -14.404 7.460 177 2HD LYS 25 1HD LYS 25 10.310 -12.872 7.097 178 1HE LYS 25 2HE LYS 25 10.406 -12.724 9.807 179 2HE LYS 25 1HE LYS 25 11.855 -13.678 9.501 180 1HZ LYS 25 1HZ LYS 25 12.405 -11.360 9.457 181 2HZ LYS 25 2HZ LYS 25 11.187 -11.038 8.319 182 3HZ LYS 25 3HZ LYS 25 12.535 -11.973 7.881 183 H LEU 26 H LEU 26 5.819 -16.646 6.095 184 HA LEU 26 HA LEU 26 3.819 -16.572 4.883 185 1HB LEU 26 2HB LEU 26 4.330 -13.903 5.525 186 2HB LEU 26 1HB LEU 26 4.066 -13.877 3.783 187 HG LEU 26 HG LEU 26 2.027 -15.468 4.425 188 1HD1 LEU 26 1HD1 LEU 26 1.080 -15.012 6.566 189 2HD1 LEU 26 2HD1 LEU 26 2.211 -13.692 6.866 190 3HD1 LEU 26 3HD1 LEU 26 2.781 -15.361 6.872 191 1HD2 LEU 26 1HD2 LEU 26 1.370 -13.555 3.318 192 2HD2 LEU 26 2HD2 LEU 26 2.327 -12.500 4.357 193 3HD2 LEU 26 3HD2 LEU 26 0.784 -13.137 4.928 194 HA PRO 27 HA PRO 27 5.909 -17.460 0.990 195 1HB PRO 27 2HB PRO 27 4.136 -19.438 0.265 196 2HB PRO 27 1HB PRO 27 5.514 -19.700 1.347 197 1HG PRO 27 2HG PRO 27 2.614 -19.486 2.017 198 2HG PRO 27 1HG PRO 27 3.901 -20.354 2.869 199 1HD PRO 27 2HD PRO 27 2.816 -17.865 3.637 200 2HD PRO 27 1HD PRO 27 4.335 -18.564 4.238 201 H PHE 28 H PHE 28 2.334 -17.275 1.307 202 HA PHE 28 HA PHE 28 2.299 -15.450 -1.042 203 1HB PHE 28 2HB PHE 28 0.331 -16.623 -1.975 204 2HB PHE 28 1HB PHE 28 1.740 -17.679 -1.921 205 HD1 PHE 28 HD1 PHE 28 1.896 -19.496 -0.262 206 HD2 PHE 28 HD2 PHE 28 -1.586 -16.992 -0.523 207 HE1 PHE 28 HE1 PHE 28 0.624 -21.122 1.110 208 HE2 PHE 28 HE2 PHE 28 -2.857 -18.618 0.851 209 HZ PHE 28 HZ PHE 28 -1.752 -20.682 1.668 210 H LYS 29 H LYS 29 0.131 -14.312 -1.202 211 HA LYS 29 HA LYS 29 -1.367 -14.156 1.353 212 1HB LYS 29 2HB LYS 29 0.689 -12.375 0.868 213 2HB LYS 29 1HB LYS 29 -0.716 -11.501 0.262 214 1HG LYS 29 2HG LYS 29 -1.304 -12.819 2.789 215 2HG LYS 29 1HG LYS 29 0.074 -11.727 2.937 216 1HD LYS 29 2HD LYS 29 -1.245 -9.906 2.779 217 2HD LYS 29 1HD LYS 29 -2.048 -10.536 1.341 218 1HE LYS 29 2HE LYS 29 -3.471 -11.970 2.787 219 2HE LYS 29 1HE LYS 29 -2.701 -11.271 4.210 220 1HZ LYS 29 1HZ LYS 29 -4.219 -9.677 4.109 221 2HZ LYS 29 2HZ LYS 29 -4.797 -10.222 2.608 222 3HZ LYS 29 3HZ LYS 29 -3.499 -9.130 2.673 223 H VAL 30 H VAL 30 -3.511 -13.981 0.912 224 HA VAL 30 HA VAL 30 -4.320 -13.255 -1.866 225 HB VAL 30 HB VAL 30 -5.948 -14.608 0.312 226 1HG1 VAL 30 1HG1 VAL 30 -6.405 -14.021 -2.617 227 2HG1 VAL 30 2HG1 VAL 30 -7.442 -13.621 -1.248 228 3HG1 VAL 30 3HG1 VAL 30 -7.288 -15.296 -1.778 229 1HG2 VAL 30 1HG2 VAL 30 -5.567 -16.658 -1.124 230 2HG2 VAL 30 2HG2 VAL 30 -4.122 -16.072 -0.298 231 3HG2 VAL 30 3HG2 VAL 30 -4.357 -15.732 -2.014 232 H LEU 31 H LEU 31 -5.151 -11.250 -2.167 233 HA LEU 31 HA LEU 31 -6.301 -9.823 0.200 234 1HB LEU 31 2HB LEU 31 -4.359 -9.035 -1.796 235 2HB LEU 31 1HB LEU 31 -5.752 -7.955 -1.846 236 HG LEU 31 HG LEU 31 -5.006 -8.548 0.897 237 1HD1 LEU 31 1HD1 LEU 31 -2.804 -7.856 1.005 238 2HD1 LEU 31 2HD1 LEU 31 -2.917 -6.912 -0.481 239 3HD1 LEU 31 3HD1 LEU 31 -2.774 -8.667 -0.560 240 1HD2 LEU 31 1HD2 LEU 31 -5.122 -6.141 1.091 241 2HD2 LEU 31 2HD2 LEU 31 -6.410 -6.647 -0.003 242 3HD2 LEU 31 3HD2 LEU 31 -4.928 -5.942 -0.650 243 H SER 32 H SER 32 -8.485 -9.799 0.105 244 HA SER 32 HA SER 32 -9.813 -9.742 -2.568 245 1HB SER 32 2HB SER 32 -10.313 -11.261 -0.240 246 2HB SER 32 1HB SER 32 -11.627 -10.092 -0.336 247 HG SER 32 HG SER 32 -12.290 -11.700 -1.629 248 H VAL 33 H VAL 33 -10.062 -7.613 -3.137 249 HA VAL 33 HA VAL 33 -11.497 -5.846 -1.200 250 HB VAL 33 HB VAL 33 -10.093 -3.927 -2.084 251 1HG1 VAL 33 1HG1 VAL 33 -9.166 -4.263 -0.061 252 2HG1 VAL 33 2HG1 VAL 33 -7.934 -5.232 -0.869 253 3HG1 VAL 33 3HG1 VAL 33 -9.364 -6.010 -0.191 254 1HG2 VAL 33 1HG2 VAL 33 -8.098 -6.022 -2.921 255 2HG2 VAL 33 2HG2 VAL 33 -8.161 -4.313 -3.355 256 3HG2 VAL 33 3HG2 VAL 33 -9.308 -5.447 -4.069 257 HA PRO 34 HA PRO 34 -14.044 -4.848 -4.637 258 1HB PRO 34 2HB PRO 34 -14.727 -2.254 -4.015 259 2HB PRO 34 1HB PRO 34 -15.398 -3.674 -3.192 260 1HG PRO 34 2HG PRO 34 -13.332 -1.741 -2.229 261 2HG PRO 34 1HG PRO 34 -14.494 -2.701 -1.296 262 1HD PRO 34 2HD PRO 34 -11.765 -3.307 -1.606 263 2HD PRO 34 1HD PRO 34 -13.014 -4.441 -1.051 264 H GLU 35 H GLU 35 -14.223 -3.358 -6.533 265 HA GLU 35 HA GLU 35 -11.704 -2.775 -7.729 266 1HB GLU 35 2HB GLU 35 -14.540 -1.993 -8.391 267 2HB GLU 35 1HB GLU 35 -13.188 -1.383 -9.345 268 1HG GLU 35 2HG GLU 35 -13.596 -3.322 -10.524 269 2HG GLU 35 1HG GLU 35 -12.498 -3.974 -9.308 270 H SER 36 H SER 36 -13.849 -0.788 -5.761 271 HA SER 36 HA SER 36 -12.803 1.787 -6.394 272 1HB SER 36 2HB SER 36 -14.531 0.636 -4.383 273 2HB SER 36 1HB SER 36 -13.422 1.780 -3.636 274 HG SER 36 HG SER 36 -15.515 2.537 -4.673 275 H THR 37 H THR 37 -11.683 -0.696 -4.097 276 HA THR 37 HA THR 37 -9.670 0.887 -2.814 277 HB THR 37 HB THR 37 -9.735 -2.111 -3.297 278 HG1 THR 37 HG1 THR 37 -10.623 -0.496 -1.139 279 1HG2 THR 37 1HG2 THR 37 -7.597 -1.901 -2.521 280 2HG2 THR 37 2HG2 THR 37 -8.405 -1.764 -0.960 281 3HG2 THR 37 3HG2 THR 37 -7.896 -0.311 -1.820 282 HA PRO 38 HA PRO 38 -6.914 1.148 -6.305 283 1HB PRO 38 2HB PRO 38 -5.033 2.688 -5.021 284 2HB PRO 38 1HB PRO 38 -6.543 3.333 -5.687 285 1HG PRO 38 2HG PRO 38 -5.811 2.829 -2.841 286 2HG PRO 38 1HG PRO 38 -6.960 3.996 -3.514 287 1HD PRO 38 2HD PRO 38 -7.623 1.526 -2.303 288 2HD PRO 38 1HD PRO 38 -8.715 2.544 -3.266 289 H PHE 39 H PHE 39 -4.705 0.442 -6.819 290 HA PHE 39 HA PHE 39 -3.892 -1.949 -5.459 291 1HB PHE 39 2HB PHE 39 -3.407 -1.116 -7.913 292 2HB PHE 39 1HB PHE 39 -1.974 -0.403 -7.176 293 HD1 PHE 39 HD1 PHE 39 -3.855 -3.624 -6.687 294 HD2 PHE 39 HD2 PHE 39 -0.085 -1.730 -7.498 295 HE1 PHE 39 HE1 PHE 39 -2.746 -5.839 -6.703 296 HE2 PHE 39 HE2 PHE 39 1.024 -3.948 -7.514 297 HZ PHE 39 HZ PHE 39 -0.308 -6.001 -7.116 298 H THR 40 H THR 40 -3.198 1.400 -4.851 299 HA THR 40 HA THR 40 -0.655 1.182 -3.569 300 HB THR 40 HB THR 40 -1.436 3.232 -2.275 301 HG1 THR 40 HG1 THR 40 -3.472 3.677 -2.301 302 1HG2 THR 40 1HG2 THR 40 -1.729 4.613 -4.416 303 2HG2 THR 40 2HG2 THR 40 -1.618 3.082 -5.283 304 3HG2 THR 40 3HG2 THR 40 -0.265 3.637 -4.298 305 H ALA 41 H ALA 41 -3.975 0.861 -2.297 306 HA ALA 41 HA ALA 41 -3.106 0.221 0.403 307 1HB ALA 41 1HB ALA 41 -5.313 1.178 0.075 308 2HB ALA 41 2HB ALA 41 -5.509 -0.458 0.702 309 3HB ALA 41 3HB ALA 41 -5.764 -0.134 -1.012 310 H VAL 42 H VAL 42 -4.057 -1.658 -2.469 311 HA VAL 42 HA VAL 42 -4.142 -4.232 -1.216 312 HB VAL 42 HB VAL 42 -3.395 -3.511 -4.072 313 1HG1 VAL 42 1HG1 VAL 42 -4.085 -5.843 -4.570 314 2HG1 VAL 42 2HG1 VAL 42 -4.305 -6.134 -2.845 315 3HG1 VAL 42 3HG1 VAL 42 -2.696 -5.795 -3.484 316 1HG2 VAL 42 1HG2 VAL 42 -5.608 -2.689 -3.551 317 2HG2 VAL 42 2HG2 VAL 42 -6.029 -4.193 -2.731 318 3HG2 VAL 42 3HG2 VAL 42 -5.805 -4.175 -4.480 319 H LEU 43 H LEU 43 -1.479 -2.586 -2.959 320 HA LEU 43 HA LEU 43 0.500 -4.601 -2.497 321 1HB LEU 43 2HB LEU 43 0.532 -2.530 -4.090 322 2HB LEU 43 1HB LEU 43 1.171 -1.668 -2.691 323 HG LEU 43 HG LEU 43 2.476 -4.264 -3.176 324 1HD1 LEU 43 1HD1 LEU 43 3.576 -3.752 -5.193 325 2HD1 LEU 43 2HD1 LEU 43 3.127 -2.048 -5.114 326 3HD1 LEU 43 3HD1 LEU 43 1.912 -3.263 -5.512 327 1HD2 LEU 43 1HD2 LEU 43 4.471 -2.538 -3.083 328 2HD2 LEU 43 2HD2 LEU 43 3.562 -2.902 -1.617 329 3HD2 LEU 43 3HD2 LEU 43 3.223 -1.426 -2.521 330 H LYS 44 H LYS 44 -0.539 -1.798 -0.571 331 HA LYS 44 HA LYS 44 1.571 -1.902 1.374 332 1HB LYS 44 2HB LYS 44 -1.178 -0.710 1.268 333 2HB LYS 44 1HB LYS 44 -0.380 -0.830 2.836 334 1HG LYS 44 2HG LYS 44 1.642 0.158 1.246 335 2HG LYS 44 1HG LYS 44 0.219 0.943 0.562 336 1HD LYS 44 2HD LYS 44 -0.379 1.915 2.654 337 2HD LYS 44 1HD LYS 44 0.750 0.886 3.537 338 1HE LYS 44 2HE LYS 44 2.502 2.057 1.883 339 2HE LYS 44 1HE LYS 44 1.285 3.331 1.914 340 1HZ LYS 44 1HZ LYS 44 1.621 2.461 4.532 341 2HZ LYS 44 2HZ LYS 44 2.082 3.953 3.865 342 3HZ LYS 44 3HZ LYS 44 3.177 2.654 3.887 343 H PHE 45 H PHE 45 -1.760 -3.247 1.462 344 HA PHE 45 HA PHE 45 -1.516 -4.562 3.978 345 1HB PHE 45 2HB PHE 45 -3.492 -4.313 2.003 346 2HB PHE 45 1HB PHE 45 -3.183 -6.045 2.106 347 HD1 PHE 45 HD1 PHE 45 -4.285 -7.277 3.753 348 HD2 PHE 45 HD2 PHE 45 -3.656 -3.068 4.349 349 HE1 PHE 45 HE1 PHE 45 -5.586 -7.379 5.863 350 HE2 PHE 45 HE2 PHE 45 -4.955 -3.172 6.457 351 HZ PHE 45 HZ PHE 45 -5.919 -5.328 7.213 352 H ALA 46 H ALA 46 -0.821 -5.746 0.674 353 HA ALA 46 HA ALA 46 -0.164 -8.432 1.449 354 1HB ALA 46 1HB ALA 46 0.378 -6.723 -0.956 355 2HB ALA 46 2HB ALA 46 -0.513 -8.240 -0.842 356 3HB ALA 46 3HB ALA 46 1.248 -8.246 -0.778 357 H ALA 47 H ALA 47 1.898 -5.561 0.885 358 HA ALA 47 HA ALA 47 4.384 -6.851 1.504 359 1HB ALA 47 1HB ALA 47 5.254 -4.544 1.782 360 2HB ALA 47 2HB ALA 47 3.602 -3.929 1.741 361 3HB ALA 47 3HB ALA 47 4.290 -4.705 0.314 362 H GLU 48 H GLU 48 2.023 -5.119 3.535 363 HA GLU 48 HA GLU 48 3.560 -5.009 5.932 364 1HB GLU 48 2HB GLU 48 0.746 -4.687 5.174 365 2HB GLU 48 1HB GLU 48 0.940 -5.378 6.785 366 1HG GLU 48 2HG GLU 48 1.091 -3.147 7.343 367 2HG GLU 48 1HG GLU 48 2.788 -3.447 6.971 368 H GLU 49 H GLU 49 1.291 -7.519 4.761 369 HA GLU 49 HA GLU 49 1.749 -9.267 7.034 370 1HB GLU 49 2HB GLU 49 0.318 -9.461 4.418 371 2HB GLU 49 1HB GLU 49 0.754 -10.968 5.225 372 1HG GLU 49 2HG GLU 49 -1.304 -10.575 6.212 373 2HG GLU 49 1HG GLU 49 -0.256 -9.727 7.349 374 H PHE 50 H PHE 50 3.309 -8.801 3.918 375 HA PHE 50 HA PHE 50 4.780 -11.326 4.000 376 1HB PHE 50 2HB PHE 50 4.758 -8.905 2.236 377 2HB PHE 50 1HB PHE 50 6.153 -9.979 2.175 378 HD1 PHE 50 HD1 PHE 50 3.640 -9.339 0.202 379 HD2 PHE 50 HD2 PHE 50 4.839 -12.618 2.702 380 HE1 PHE 50 HE1 PHE 50 2.363 -10.903 -1.235 381 HE2 PHE 50 HE2 PHE 50 3.559 -14.182 1.266 382 HZ PHE 50 HZ PHE 50 2.324 -13.323 -0.702 383 H LYS 51 H LYS 51 5.100 -8.473 5.751 384 HA LYS 51 HA LYS 51 6.773 -7.734 7.212 385 1HB LYS 51 2HB LYS 51 7.321 -10.476 6.859 386 2HB LYS 51 1HB LYS 51 8.865 -9.663 6.617 387 1HG LYS 51 2HG LYS 51 9.063 -9.346 8.831 388 2HG LYS 51 1HG LYS 51 7.550 -8.439 8.853 389 1HD LYS 51 2HD LYS 51 6.519 -10.909 8.698 390 2HD LYS 51 1HD LYS 51 8.049 -11.316 9.475 391 1HE LYS 51 2HE LYS 51 7.577 -9.578 11.214 392 2HE LYS 51 1HE LYS 51 6.001 -9.310 10.470 393 1HZ LYS 51 1HZ LYS 51 5.259 -10.965 11.728 394 2HZ LYS 51 2HZ LYS 51 6.824 -11.381 12.239 395 3HZ LYS 51 3HZ LYS 51 6.194 -12.035 10.805 396 H VAL 52 H VAL 52 6.600 -6.750 4.519 397 HA VAL 52 HA VAL 52 9.423 -5.866 4.136 398 HB VAL 52 HB VAL 52 8.994 -5.909 1.632 399 1HG1 VAL 52 1HG1 VAL 52 10.291 -7.660 2.958 400 2HG1 VAL 52 2HG1 VAL 52 9.650 -8.192 1.403 401 3HG1 VAL 52 3HG1 VAL 52 8.834 -8.652 2.897 402 1HG2 VAL 52 1HG2 VAL 52 6.499 -6.102 1.842 403 2HG2 VAL 52 2HG2 VAL 52 6.716 -7.750 2.432 404 3HG2 VAL 52 3HG2 VAL 52 7.206 -7.328 0.792 405 HA PRO 53 HA PRO 53 7.576 -1.877 3.886 406 1HB PRO 53 2HB PRO 53 9.445 -0.578 2.342 407 2HB PRO 53 1HB PRO 53 9.681 -0.983 4.049 408 1HG PRO 53 2HG PRO 53 10.858 -2.277 1.631 409 2HG PRO 53 1HG PRO 53 11.503 -2.184 3.278 410 1HD PRO 53 2HD PRO 53 10.239 -4.435 2.134 411 2HD PRO 53 1HD PRO 53 10.559 -4.192 3.864 412 H ALA 54 H ALA 54 5.850 -1.305 2.678 413 HA ALA 54 HA ALA 54 5.403 -2.242 -0.012 414 1HB ALA 54 1HB ALA 54 3.859 0.102 0.976 415 2HB ALA 54 2HB ALA 54 3.757 -1.373 1.938 416 3HB ALA 54 3HB ALA 54 3.286 -1.394 0.239 417 H ALA 55 H ALA 55 6.612 0.807 1.321 418 HA ALA 55 HA ALA 55 6.415 2.375 -1.070 419 1HB ALA 55 1HB ALA 55 7.321 3.991 0.225 420 2HB ALA 55 2HB ALA 55 8.736 3.006 0.598 421 3HB ALA 55 3HB ALA 55 7.258 2.818 1.540 422 H THR 56 H THR 56 8.918 0.144 0.111 423 HA THR 56 HA THR 56 10.531 0.690 -2.339 424 HB THR 56 HB THR 56 11.360 -1.018 0.017 425 HG1 THR 56 HG1 THR 56 11.456 0.750 1.115 426 1HG2 THR 56 1HG2 THR 56 13.588 0.200 -0.939 427 2HG2 THR 56 2HG2 THR 56 12.631 0.103 -2.416 428 3HG2 THR 56 3HG2 THR 56 13.016 -1.365 -1.517 429 H SER 57 H SER 57 8.057 -1.333 -1.564 430 HA SER 57 HA SER 57 9.268 -3.735 -2.846 431 1HB SER 57 2HB SER 57 6.932 -3.283 -1.044 432 2HB SER 57 1HB SER 57 6.840 -4.619 -2.186 433 HG SER 57 HG SER 57 8.026 -4.654 0.104 434 H ALA 58 H ALA 58 8.117 -4.789 -4.572 435 HA ALA 58 HA ALA 58 6.127 -3.124 -6.042 436 1HB ALA 58 1HB ALA 58 8.507 -4.478 -7.351 437 2HB ALA 58 2HB ALA 58 8.439 -2.755 -6.980 438 3HB ALA 58 3HB ALA 58 7.307 -3.453 -8.139 439 H ILE 59 H ILE 59 4.666 -4.401 -7.334 440 HA ILE 59 HA ILE 59 4.804 -7.328 -6.721 441 HB ILE 59 HB ILE 59 2.480 -5.437 -7.087 442 1HG1 ILE 59 2HG1 ILE 59 3.013 -7.616 -5.045 443 2HG1 ILE 59 1HG1 ILE 59 3.523 -5.943 -4.830 444 1HG2 ILE 59 1HG2 ILE 59 2.363 -7.677 -8.493 445 2HG2 ILE 59 2HG2 ILE 59 0.977 -7.164 -7.536 446 3HG2 ILE 59 3HG2 ILE 59 2.061 -8.409 -6.918 447 1HD1 ILE 59 1HD1 ILE 59 1.446 -5.999 -3.735 448 2HD1 ILE 59 2HD1 ILE 59 0.729 -7.058 -4.948 449 3HD1 ILE 59 3HD1 ILE 59 1.032 -5.363 -5.326 450 H ILE 60 H ILE 60 5.489 -8.481 -8.436 451 HA ILE 60 HA ILE 60 4.985 -7.444 -11.176 452 HB ILE 60 HB ILE 60 6.669 -9.083 -11.903 453 1HG1 ILE 60 2HG1 ILE 60 7.659 -9.862 -9.293 454 2HG1 ILE 60 1HG1 ILE 60 5.982 -10.373 -9.480 455 1HG2 ILE 60 1HG2 ILE 60 8.055 -7.370 -11.433 456 2HG2 ILE 60 2HG2 ILE 60 8.392 -8.160 -9.892 457 3HG2 ILE 60 3HG2 ILE 60 7.127 -6.935 -9.998 458 1HD1 ILE 60 1HD1 ILE 60 8.163 -11.739 -10.464 459 2HD1 ILE 60 2HD1 ILE 60 7.621 -10.833 -11.877 460 3HD1 ILE 60 3HD1 ILE 60 6.509 -11.922 -11.049 461 H THR 61 H THR 61 4.441 -9.205 -12.846 462 HA THR 61 HA THR 61 2.222 -10.853 -11.752 463 HB THR 61 HB THR 61 1.526 -11.081 -14.124 464 HG1 THR 61 HG1 THR 61 2.752 -10.352 -15.702 465 1HG2 THR 61 1HG2 THR 61 2.085 -8.164 -13.748 466 2HG2 THR 61 2HG2 THR 61 1.085 -8.997 -12.558 467 3HG2 THR 61 3HG2 THR 61 0.596 -8.963 -14.252 468 H ASN 62 H ASN 62 1.925 -13.042 -12.895 469 HA ASN 62 HA ASN 62 4.252 -14.677 -12.429 470 1HB ASN 62 2HB ASN 62 1.445 -15.075 -13.128 471 2HB ASN 62 1HB ASN 62 2.499 -16.197 -13.989 472 1HD2 ASN 62 1HD2 ASN 62 1.942 -14.929 -10.651 473 2HD2 ASN 62 2HD2 ASN 62 2.374 -16.376 -9.876 474 H ASP 63 H ASP 63 3.023 -13.022 -15.255 475 HA ASP 63 HA ASP 63 4.554 -14.620 -17.172 476 1HB ASP 63 2HB ASP 63 3.092 -11.976 -17.452 477 2HB ASP 63 1HB ASP 63 3.846 -12.843 -18.789 478 H GLY 64 H GLY 64 4.819 -11.306 -15.818 479 1HA GLY 64 2HA GLY 64 7.373 -10.962 -15.204 480 2HA GLY 64 1HA GLY 64 7.561 -11.103 -16.952 481 H VAL 65 H VAL 65 5.287 -9.378 -14.776 482 HA VAL 65 HA VAL 65 5.963 -6.852 -16.225 483 HB VAL 65 HB VAL 65 3.174 -7.722 -15.388 484 1HG1 VAL 65 1HG1 VAL 65 3.466 -5.303 -15.256 485 2HG1 VAL 65 2HG1 VAL 65 2.499 -5.691 -16.679 486 3HG1 VAL 65 3HG1 VAL 65 4.204 -5.276 -16.858 487 1HG2 VAL 65 1HG2 VAL 65 4.508 -7.540 -18.108 488 2HG2 VAL 65 2HG2 VAL 65 2.771 -7.747 -17.872 489 3HG2 VAL 65 3HG2 VAL 65 3.890 -8.998 -17.330 490 H GLY 66 H GLY 66 6.769 -5.450 -14.746 491 1HA GLY 66 2HA GLY 66 6.439 -5.856 -11.889 492 2HA GLY 66 1HA GLY 66 7.304 -4.522 -12.650 493 H VAL 67 H VAL 67 4.161 -5.657 -11.588 494 HA VAL 67 HA VAL 67 2.707 -3.264 -12.372 495 HB VAL 67 HB VAL 67 1.915 -5.261 -10.232 496 1HG1 VAL 67 1HG1 VAL 67 -0.354 -4.514 -11.516 497 2HG1 VAL 67 2HG1 VAL 67 0.600 -3.043 -11.700 498 3HG1 VAL 67 3HG1 VAL 67 0.268 -3.682 -10.091 499 1HG2 VAL 67 1HG2 VAL 67 0.746 -6.473 -12.052 500 2HG2 VAL 67 2HG2 VAL 67 2.490 -6.458 -12.312 501 3HG2 VAL 67 3HG2 VAL 67 1.453 -5.369 -13.232 502 H ASN 68 H ASN 68 2.489 -1.383 -11.261 503 HA ASN 68 HA ASN 68 3.726 -1.215 -8.540 504 1HB ASN 68 2HB ASN 68 3.497 0.787 -10.796 505 2HB ASN 68 1HB ASN 68 3.873 1.285 -9.147 506 1HD2 ASN 68 1HD2 ASN 68 5.233 0.006 -12.050 507 2HD2 ASN 68 2HD2 ASN 68 6.773 -0.350 -11.431 508 HA PRO 69 HA PRO 69 -0.141 0.114 -6.909 509 1HB PRO 69 2HB PRO 69 0.715 1.843 -4.946 510 2HB PRO 69 1HB PRO 69 0.851 0.081 -4.829 511 1HG PRO 69 2HG PRO 69 2.982 2.096 -5.360 512 2HG PRO 69 1HG PRO 69 3.115 0.485 -4.635 513 1HD PRO 69 2HD PRO 69 3.781 1.171 -7.302 514 2HD PRO 69 1HD PRO 69 3.609 -0.475 -6.655 515 H ALA 70 H ALA 70 -0.109 1.367 -9.212 516 HA ALA 70 HA ALA 70 -0.551 4.269 -8.619 517 1HB ALA 70 1HB ALA 70 1.461 3.872 -10.033 518 2HB ALA 70 2HB ALA 70 0.215 4.793 -10.876 519 3HB ALA 70 3HB ALA 70 0.432 3.078 -11.227 520 H GLN 71 H GLN 71 -1.927 1.348 -9.835 521 HA GLN 71 HA GLN 71 -4.198 2.884 -11.034 522 1HB GLN 71 2HB GLN 71 -4.654 0.904 -12.403 523 2HB GLN 71 1HB GLN 71 -2.981 1.404 -12.626 524 1HG GLN 71 2HG GLN 71 -2.744 -0.320 -10.508 525 2HG GLN 71 1HG GLN 71 -4.062 -1.062 -11.415 526 1HE2 GLN 71 1HE2 GLN 71 -0.633 -0.160 -11.573 527 2HE2 GLN 71 2HE2 GLN 71 -0.288 -1.042 -12.981 528 HA PRO 72 HA PRO 72 -6.907 1.143 -8.036 529 1HB PRO 72 2HB PRO 72 -9.175 0.689 -9.524 530 2HB PRO 72 1HB PRO 72 -8.635 2.298 -9.018 531 1HG PRO 72 2HG PRO 72 -8.481 1.024 -11.712 532 2HG PRO 72 1HG PRO 72 -8.576 2.742 -11.286 533 1HD PRO 72 2HD PRO 72 -6.238 1.364 -12.060 534 2HD PRO 72 1HD PRO 72 -6.294 2.964 -11.291 535 H ALA 73 H ALA 73 -8.059 -0.834 -7.359 536 HA ALA 73 HA ALA 73 -6.774 -3.262 -8.098 537 1HB ALA 73 1HB ALA 73 -7.870 -3.046 -5.940 538 2HB ALA 73 2HB ALA 73 -8.634 -4.365 -6.826 539 3HB ALA 73 3HB ALA 73 -9.434 -2.797 -6.717 540 H GLY 74 H GLY 74 -9.854 -1.842 -9.191 541 1HA GLY 74 2HA GLY 74 -10.862 -4.038 -10.669 542 2HA GLY 74 1HA GLY 74 -11.182 -2.347 -11.059 543 H ASN 75 H ASN 75 -8.574 -1.479 -11.661 544 HA ASN 75 HA ASN 75 -8.267 -2.446 -14.370 545 1HB ASN 75 2HB ASN 75 -7.651 -0.119 -13.323 546 2HB ASN 75 1HB ASN 75 -6.124 -0.906 -12.921 547 1HD2 ASN 75 1HD2 ASN 75 -4.655 -1.393 -14.658 548 2HD2 ASN 75 2HD2 ASN 75 -4.940 -0.907 -16.258 549 H ILE 76 H ILE 76 -6.600 -3.105 -11.307 550 HA ILE 76 HA ILE 76 -4.346 -4.516 -12.353 551 HB ILE 76 HB ILE 76 -5.833 -4.850 -9.727 552 1HG1 ILE 76 2HG1 ILE 76 -4.725 -2.611 -10.330 553 2HG1 ILE 76 1HG1 ILE 76 -4.225 -3.350 -8.813 554 1HG2 ILE 76 1HG2 ILE 76 -3.151 -5.933 -10.638 555 2HG2 ILE 76 2HG2 ILE 76 -4.559 -6.869 -10.137 556 3HG2 ILE 76 3HG2 ILE 76 -3.680 -5.901 -8.956 557 1HD1 ILE 76 1HD1 ILE 76 -2.165 -4.094 -9.726 558 2HD1 ILE 76 2HD1 ILE 76 -2.359 -2.458 -10.353 559 3HD1 ILE 76 3HD1 ILE 76 -2.715 -3.844 -11.382 560 H PHE 77 H PHE 77 -7.579 -5.681 -11.358 561 HA PHE 77 HA PHE 77 -7.033 -8.448 -12.031 562 1HB PHE 77 2HB PHE 77 -8.903 -7.380 -10.498 563 2HB PHE 77 1HB PHE 77 -9.815 -7.315 -12.005 564 HD1 PHE 77 HD1 PHE 77 -8.574 -9.440 -9.339 565 HD2 PHE 77 HD2 PHE 77 -10.167 -9.443 -13.329 566 HE1 PHE 77 HE1 PHE 77 -9.111 -11.851 -9.125 567 HE2 PHE 77 HE2 PHE 77 -10.702 -11.853 -13.114 568 HZ PHE 77 HZ PHE 77 -10.175 -13.057 -11.012 569 H LEU 78 H LEU 78 -8.559 -5.723 -13.733 570 HA LEU 78 HA LEU 78 -9.463 -7.193 -16.027 571 1HB LEU 78 2HB LEU 78 -9.186 -4.387 -15.227 572 2HB LEU 78 1HB LEU 78 -8.886 -4.630 -16.945 573 HG LEU 78 HG LEU 78 -11.284 -4.168 -16.431 574 1HD1 LEU 78 1HD1 LEU 78 -12.107 -5.723 -17.977 575 2HD1 LEU 78 2HD1 LEU 78 -11.084 -7.022 -17.365 576 3HD1 LEU 78 3HD1 LEU 78 -10.378 -5.724 -18.329 577 1HD2 LEU 78 1HD2 LEU 78 -12.615 -5.859 -15.273 578 2HD2 LEU 78 2HD2 LEU 78 -11.308 -5.325 -14.217 579 3HD2 LEU 78 3HD2 LEU 78 -11.189 -6.873 -15.055 580 H LYS 79 H LYS 79 -6.349 -5.666 -15.248 581 HA LYS 79 HA LYS 79 -5.290 -6.255 -17.943 582 1HB LYS 79 2HB LYS 79 -4.751 -4.281 -16.069 583 2HB LYS 79 1HB LYS 79 -3.363 -5.358 -15.924 584 1HG LYS 79 2HG LYS 79 -2.693 -5.018 -18.126 585 2HG LYS 79 1HG LYS 79 -4.315 -4.571 -18.659 586 1HD LYS 79 2HD LYS 79 -4.118 -2.392 -17.902 587 2HD LYS 79 1HD LYS 79 -2.965 -2.824 -16.637 588 1HE LYS 79 2HE LYS 79 -1.290 -3.322 -18.473 589 2HE LYS 79 1HE LYS 79 -2.431 -2.608 -19.610 590 1HZ LYS 79 1HZ LYS 79 -1.125 -0.822 -19.049 591 2HZ LYS 79 2HZ LYS 79 -0.921 -1.323 -17.439 592 3HZ LYS 79 3HZ LYS 79 -2.398 -0.649 -17.941 593 H HIS 80 H HIS 80 -4.247 -7.021 -14.586 594 HA HIS 80 HA HIS 80 -2.692 -9.316 -15.632 595 1HB HIS 80 2HB HIS 80 -2.894 -8.499 -12.731 596 2HB HIS 80 1HB HIS 80 -1.579 -9.350 -13.543 597 HD1 HIS 80 HD1 HIS 80 -0.534 -7.780 -15.662 598 HD2 HIS 80 HD2 HIS 80 -2.311 -5.824 -12.438 599 HE1 HIS 80 HE1 HIS 80 0.290 -5.388 -15.733 600 H GLY 81 H GLY 81 -5.042 -8.852 -12.941 601 1HA GLY 81 2HA GLY 81 -7.061 -10.370 -12.987 602 2HA GLY 81 1HA GLY 81 -5.951 -11.664 -13.438 603 H SER 82 H SER 82 -5.216 -12.912 -11.789 604 HA SER 82 HA SER 82 -5.245 -11.755 -9.026 605 1HB SER 82 2HB SER 82 -7.000 -13.596 -9.710 606 2HB SER 82 1HB SER 82 -5.637 -14.693 -9.513 607 HG SER 82 HG SER 82 -6.950 -14.277 -7.588 608 H GLU 83 H GLU 83 -3.727 -14.197 -11.161 609 HA GLU 83 HA GLU 83 -1.661 -15.041 -9.422 610 1HB GLU 83 2HB GLU 83 -1.984 -14.927 -12.397 611 2HB GLU 83 1HB GLU 83 -0.387 -15.286 -11.741 612 1HG GLU 83 2HG GLU 83 -2.614 -16.766 -10.474 613 2HG GLU 83 1HG GLU 83 -2.315 -17.173 -12.163 614 H LEU 84 H LEU 84 -0.447 -13.583 -8.307 615 HA LEU 84 HA LEU 84 1.168 -11.630 -9.873 616 1HB LEU 84 2HB LEU 84 -0.578 -11.037 -7.476 617 2HB LEU 84 1HB LEU 84 0.790 -10.009 -7.900 618 HG LEU 84 HG LEU 84 -1.223 -10.732 -10.012 619 1HD1 LEU 84 1HD1 LEU 84 -2.783 -9.869 -8.531 620 2HD1 LEU 84 2HD1 LEU 84 -2.213 -8.379 -9.282 621 3HD1 LEU 84 3HD1 LEU 84 -1.596 -8.863 -7.702 622 1HD2 LEU 84 1HD2 LEU 84 0.039 -8.047 -9.684 623 2HD2 LEU 84 2HD2 LEU 84 -0.294 -8.959 -11.157 624 3HD2 LEU 84 3HD2 LEU 84 1.094 -9.379 -10.154 625 H ARG 85 H ARG 85 2.960 -10.710 -8.379 626 HA ARG 85 HA ARG 85 3.802 -12.614 -6.258 627 1HB ARG 85 2HB ARG 85 5.105 -12.228 -8.900 628 2HB ARG 85 1HB ARG 85 6.183 -12.260 -7.504 629 1HG ARG 85 2HG ARG 85 5.938 -14.489 -7.276 630 2HG ARG 85 1HG ARG 85 4.180 -14.352 -7.301 631 1HD ARG 85 2HD ARG 85 4.303 -15.423 -9.296 632 2HD ARG 85 1HD ARG 85 4.842 -13.871 -9.937 633 HE ARG 85 HE ARG 85 7.106 -15.263 -8.887 634 1HH1 ARG 85 2HH1 ARG 85 5.773 -17.543 -10.281 635 2HH1 ARG 85 1HH1 ARG 85 6.389 -17.402 -11.894 636 1HH2 ARG 85 1HH2 ARG 85 7.490 -14.128 -11.467 637 2HH2 ARG 85 2HH2 ARG 85 7.366 -15.458 -12.568 638 H LEU 86 H LEU 86 5.005 -11.599 -4.626 639 HA LEU 86 HA LEU 86 5.343 -8.653 -4.945 640 1HB LEU 86 2HB LEU 86 4.013 -9.864 -2.984 641 2HB LEU 86 1HB LEU 86 5.625 -9.995 -2.289 642 HG LEU 86 HG LEU 86 5.125 -7.341 -3.405 643 1HD1 LEU 86 1HD1 LEU 86 2.831 -7.667 -2.766 644 2HD1 LEU 86 2HD1 LEU 86 3.578 -6.694 -1.499 645 3HD1 LEU 86 3HD1 LEU 86 3.300 -8.416 -1.242 646 1HD2 LEU 86 1HD2 LEU 86 6.902 -8.275 -1.713 647 2HD2 LEU 86 2HD2 LEU 86 5.636 -8.007 -0.514 648 3HD2 LEU 86 3HD2 LEU 86 6.250 -6.655 -1.468 649 H ILE 87 H ILE 87 7.340 -7.801 -5.024 650 HA ILE 87 HA ILE 87 9.649 -9.317 -3.922 651 HB ILE 87 HB ILE 87 9.692 -9.938 -6.252 652 1HG1 ILE 87 2HG1 ILE 87 11.577 -7.577 -5.972 653 2HG1 ILE 87 1HG1 ILE 87 11.857 -9.144 -5.212 654 1HG2 ILE 87 1HG2 ILE 87 9.520 -8.336 -8.068 655 2HG2 ILE 87 2HG2 ILE 87 9.479 -6.989 -6.930 656 3HG2 ILE 87 3HG2 ILE 87 8.130 -8.122 -7.004 657 1HD1 ILE 87 1HD1 ILE 87 12.636 -8.417 -7.784 658 2HD1 ILE 87 2HD1 ILE 87 11.195 -9.399 -8.047 659 3HD1 ILE 87 3HD1 ILE 87 12.562 -10.063 -7.152 660 HA PRO 88 HA PRO 88 10.413 -5.196 -2.453 661 1HB PRO 88 2HB PRO 88 12.813 -5.760 -1.220 662 2HB PRO 88 1HB PRO 88 11.230 -6.151 -0.525 663 1HG PRO 88 2HG PRO 88 13.219 -7.971 -1.809 664 2HG PRO 88 1HG PRO 88 12.012 -8.327 -0.561 665 1HD PRO 88 2HD PRO 88 11.769 -8.962 -3.295 666 2HD PRO 88 1HD PRO 88 10.440 -8.942 -2.116 667 H ARG 89 H ARG 89 10.756 -4.217 -4.526 668 HA ARG 89 HA ARG 89 12.017 -2.963 -6.044 669 1HB ARG 89 2HB ARG 89 13.577 -2.799 -3.910 670 2HB ARG 89 1HB ARG 89 14.608 -3.884 -4.844 671 1HG ARG 89 2HG ARG 89 13.528 -1.620 -6.395 672 2HG ARG 89 1HG ARG 89 14.611 -1.145 -5.085 673 1HD ARG 89 2HD ARG 89 16.344 -2.655 -5.925 674 2HD ARG 89 1HD ARG 89 15.261 -3.229 -7.193 675 HE ARG 89 HE ARG 89 15.526 -0.374 -7.373 676 1HH1 ARG 89 1HH2 ARG 89 15.655 -1.996 -9.797 677 2HH1 ARG 89 2HH2 ARG 89 17.333 -1.961 -10.223 678 1HH2 ARG 89 2HH1 ARG 89 18.377 -0.896 -7.080 679 2HH2 ARG 89 1HH1 ARG 89 18.881 -1.334 -8.677 680 H ASP 90 H ASP 90 12.394 -3.589 -8.105 681 HA ASP 90 HA ASP 90 13.181 -6.407 -8.596 682 1HB ASP 90 2HB ASP 90 11.732 -4.296 -10.129 683 2HB ASP 90 1HB ASP 90 12.658 -5.471 -11.064 684 H ARG 91 H ARG 91 15.351 -6.723 -8.746 685 HA ARG 91 HA ARG 91 17.150 -4.584 -9.657 686 1HB ARG 91 2HB ARG 91 17.447 -7.301 -8.462 687 2HB ARG 91 1HB ARG 91 18.770 -6.737 -9.483 688 1HG ARG 91 2HG ARG 91 19.431 -5.872 -7.433 689 2HG ARG 91 1HG ARG 91 18.493 -4.517 -8.061 690 1HD ARG 91 2HD ARG 91 17.636 -4.789 -5.887 691 2HD ARG 91 1HD ARG 91 16.473 -5.662 -6.883 692 HE ARG 91 HE ARG 91 18.704 -7.120 -5.528 693 1HH1 ARG 91 2HH1 ARG 91 16.403 -6.693 -3.723 694 2HH1 ARG 91 1HH1 ARG 91 15.402 -8.072 -4.034 695 1HH2 ARG 91 1HH2 ARG 91 16.978 -8.864 -7.035 696 2HH2 ARG 91 2HH2 ARG 91 15.730 -9.307 -5.919 697 H VAL 92 H VAL 92 16.508 -7.945 -10.748 698 HA VAL 92 HA VAL 92 17.721 -7.430 -13.361 699 HB VAL 92 HB VAL 92 17.763 -9.668 -12.174 700 1HG1 VAL 92 1HG1 VAL 92 15.336 -9.544 -11.474 701 2HG1 VAL 92 2HG1 VAL 92 15.803 -11.071 -12.224 702 3HG1 VAL 92 3HG1 VAL 92 14.902 -9.873 -13.152 703 1HG2 VAL 92 1HG2 VAL 92 18.321 -9.610 -14.517 704 2HG2 VAL 92 2HG2 VAL 92 16.624 -9.466 -14.975 705 3HG2 VAL 92 3HG2 VAL 92 17.226 -10.972 -14.282 706 H GLY 93 H GLY 93 14.521 -7.238 -11.982 707 1HA GLY 93 2HA GLY 93 12.810 -5.914 -13.140 708 2HA GLY 93 1HA GLY 93 13.449 -6.511 -14.673 709 H HIS 94 HN HIS 94 11.328 -7.302 -15.250 710 HA HIS 94 HA HIS 94 9.838 -9.086 -15.560 711 1HB HIS 94 2HB HIS 94 12.054 -10.387 -14.887 712 2HB HIS 94 1HB HIS 94 11.158 -10.700 -13.403 713 HD1 HIS 94 HD1 HIS 94 10.795 -11.129 -17.164 714 HD2 HIS 94 HD2 HIS 94 9.275 -12.723 -13.624 715 HE1 HIS 94 HE1 HIS 94 9.392 -13.132 -17.824 Start of MODEL 20 1 1H MET 1 1H MET 1 -23.157 -19.188 4.754 2 2H MET 1 2H MET 1 -23.266 -20.768 5.368 3 3H MET 1 3H MET 1 -22.272 -19.629 6.132 4 HA MET 1 HA MET 1 -23.951 -19.270 7.515 5 1HB MET 1 2HB MET 1 -24.159 -17.559 5.319 6 2HB MET 1 1HB MET 1 -25.811 -18.137 5.558 7 1HG MET 1 2HG MET 1 -25.173 -17.648 8.126 8 2HG MET 1 1HG MET 1 -24.103 -16.483 7.350 9 1HE MET 1 1HE MET 1 -27.818 -17.700 7.794 10 2HE MET 1 2HE MET 1 -27.399 -17.948 6.095 11 3HE MET 1 3HE MET 1 -28.616 -16.754 6.530 12 H SER 2 H SER 2 -24.745 -21.252 8.130 13 HA SER 2 HA SER 2 -26.356 -22.951 8.386 14 1HB SER 2 2HB SER 2 -27.870 -20.904 7.404 15 2HB SER 2 1HB SER 2 -28.046 -22.080 6.108 16 HG SER 2 HG SER 2 -28.481 -23.612 7.934 17 H GLY 3 H GLY 3 -24.098 -22.833 6.298 18 1HA GLY 3 2HA GLY 3 -23.499 -25.068 5.269 19 2HA GLY 3 1HA GLY 3 -25.084 -25.014 4.500 20 H GLY 4 H GLY 4 -21.976 -23.294 4.696 21 1HA GLY 4 2HA GLY 4 -20.826 -22.740 2.553 22 2HA GLY 4 1HA GLY 4 -22.414 -22.331 1.897 23 H THR 5 H THR 5 -19.908 -21.280 4.181 24 HA THR 5 HA THR 5 -21.284 -18.750 4.794 25 HB THR 5 HB THR 5 -19.044 -18.204 5.902 26 HG1 THR 5 HG1 THR 5 -17.575 -19.468 5.044 27 1HG2 THR 5 1HG2 THR 5 -19.379 -19.895 7.739 28 2HG2 THR 5 2HG2 THR 5 -20.582 -20.687 6.719 29 3HG2 THR 5 3HG2 THR 5 -20.847 -19.031 7.275 30 H ALA 6 H ALA 6 -20.983 -16.803 3.735 31 HA ALA 6 HA ALA 6 -18.588 -16.451 2.031 32 1HB ALA 6 1HB ALA 6 -20.201 -17.405 0.475 33 2HB ALA 6 2HB ALA 6 -19.975 -15.698 0.096 34 3HB ALA 6 3HB ALA 6 -21.420 -16.227 0.960 35 H ALA 7 H ALA 7 -18.032 -14.880 3.638 36 HA ALA 7 HA ALA 7 -19.771 -12.617 4.217 37 1HB ALA 7 1HB ALA 7 -16.820 -13.080 4.740 38 2HB ALA 7 2HB ALA 7 -18.144 -13.322 5.881 39 3HB ALA 7 3HB ALA 7 -17.731 -11.695 5.341 40 H THR 8 H THR 8 -16.706 -12.958 2.358 41 HA THR 8 HA THR 8 -17.403 -10.404 0.960 42 HB THR 8 HB THR 8 -14.950 -10.393 0.319 43 HG1 THR 8 HG1 THR 8 -14.192 -12.362 0.633 44 1HG2 THR 8 1HG2 THR 8 -16.219 -9.738 2.787 45 2HG2 THR 8 2HG2 THR 8 -14.800 -8.985 2.060 46 3HG2 THR 8 3HG2 THR 8 -14.607 -10.349 3.160 47 H THR 9 H THR 9 -17.971 -10.545 -1.151 48 HA THR 9 HA THR 9 -17.649 -13.175 -2.499 49 HB THR 9 HB THR 9 -19.923 -12.149 -2.317 50 HG1 THR 9 HG1 THR 9 -19.917 -13.473 -3.965 51 1HG2 THR 9 1HG2 THR 9 -19.778 -10.297 -4.470 52 2HG2 THR 9 2HG2 THR 9 -18.528 -9.845 -3.311 53 3HG2 THR 9 3HG2 THR 9 -20.208 -9.975 -2.791 54 H ALA 10 H ALA 10 -17.104 -13.207 -4.805 55 HA ALA 10 HA ALA 10 -15.053 -11.144 -5.490 56 1HB ALA 10 1HB ALA 10 -14.341 -13.557 -5.233 57 2HB ALA 10 2HB ALA 10 -13.975 -12.856 -6.810 58 3HB ALA 10 3HB ALA 10 -15.356 -13.937 -6.623 59 H GLY 11 H GLY 11 -18.214 -11.789 -6.191 60 1HA GLY 11 2HA GLY 11 -18.293 -11.764 -9.062 61 2HA GLY 11 1HA GLY 11 -19.626 -11.315 -7.996 62 H SER 12 H SER 12 -18.908 -9.118 -6.716 63 HA SER 12 HA SER 12 -18.425 -7.150 -8.893 64 1HB SER 12 2HB SER 12 -19.411 -5.511 -7.356 65 2HB SER 12 1HB SER 12 -20.477 -6.902 -7.530 66 HG SER 12 HG SER 12 -20.067 -7.479 -5.516 67 H LYS 13 H LYS 13 -16.533 -8.730 -6.691 68 HA LYS 13 HA LYS 13 -14.749 -6.354 -6.311 69 1HB LYS 13 2HB LYS 13 -14.922 -8.794 -4.518 70 2HB LYS 13 1HB LYS 13 -13.960 -7.344 -4.236 71 1HG LYS 13 2HG LYS 13 -16.405 -6.216 -4.531 72 2HG LYS 13 1HG LYS 13 -16.876 -7.783 -3.876 73 1HD LYS 13 2HD LYS 13 -14.604 -6.779 -2.407 74 2HD LYS 13 1HD LYS 13 -15.872 -5.554 -2.437 75 1HE LYS 13 2HE LYS 13 -17.160 -6.740 -1.014 76 2HE LYS 13 1HE LYS 13 -16.972 -8.209 -1.972 77 1HZ LYS 13 1HZ LYS 13 -16.035 -8.335 0.314 78 2HZ LYS 13 2HZ LYS 13 -14.884 -7.171 -0.140 79 3HZ LYS 13 3HZ LYS 13 -14.921 -8.683 -0.917 80 H VAL 14 H VAL 14 -12.425 -6.874 -6.308 81 HA VAL 14 HA VAL 14 -11.815 -9.249 -8.026 82 HB VAL 14 HB VAL 14 -9.789 -7.920 -8.742 83 1HG1 VAL 14 1HG1 VAL 14 -12.620 -7.088 -9.273 84 2HG1 VAL 14 2HG1 VAL 14 -11.466 -7.874 -10.351 85 3HG1 VAL 14 3HG1 VAL 14 -11.307 -6.154 -9.990 86 1HG2 VAL 14 1HG2 VAL 14 -9.321 -5.888 -7.855 87 2HG2 VAL 14 2HG2 VAL 14 -10.480 -6.291 -6.592 88 3HG2 VAL 14 3HG2 VAL 14 -10.994 -5.358 -7.996 89 H THR 15 H THR 15 -10.405 -10.744 -7.229 90 HA THR 15 HA THR 15 -9.134 -10.172 -4.597 91 HB THR 15 HB THR 15 -10.607 -12.176 -4.791 92 HG1 THR 15 HG1 THR 15 -9.268 -12.701 -3.273 93 1HG2 THR 15 1HG2 THR 15 -8.985 -12.603 -7.158 94 2HG2 THR 15 2HG2 THR 15 -10.479 -13.400 -6.673 95 3HG2 THR 15 3HG2 THR 15 -8.929 -14.011 -6.097 96 H PHE 16 H PHE 16 -6.888 -10.761 -4.255 97 HA PHE 16 HA PHE 16 -5.280 -11.070 -6.755 98 1HB PHE 16 2HB PHE 16 -4.655 -9.162 -4.483 99 2HB PHE 16 1HB PHE 16 -3.653 -9.433 -5.904 100 HD1 PHE 16 HD1 PHE 16 -6.382 -7.555 -4.528 101 HD2 PHE 16 HD2 PHE 16 -4.714 -8.988 -8.219 102 HE1 PHE 16 HE1 PHE 16 -7.683 -5.855 -5.778 103 HE2 PHE 16 HE2 PHE 16 -6.016 -7.288 -9.467 104 HZ PHE 16 HZ PHE 16 -7.499 -5.722 -8.247 105 H LYS 17 H LYS 17 -3.578 -12.456 -6.567 106 HA LYS 17 HA LYS 17 -3.026 -13.622 -3.865 107 1HB LYS 17 2HB LYS 17 -4.066 -15.054 -5.836 108 2HB LYS 17 1HB LYS 17 -2.402 -15.085 -6.417 109 1HG LYS 17 2HG LYS 17 -2.924 -15.717 -3.533 110 2HG LYS 17 1HG LYS 17 -3.279 -16.947 -4.745 111 1HD LYS 17 2HD LYS 17 -0.617 -15.510 -4.614 112 2HD LYS 17 1HD LYS 17 -0.926 -17.021 -3.760 113 1HE LYS 17 2HE LYS 17 -0.593 -18.202 -5.646 114 2HE LYS 17 1HE LYS 17 -1.837 -17.272 -6.480 115 1HZ LYS 17 1HZ LYS 17 1.020 -17.041 -6.621 116 2HZ LYS 17 2HZ LYS 17 0.257 -15.546 -6.353 117 3HZ LYS 17 3HZ LYS 17 -0.163 -16.491 -7.701 118 H ILE 18 H ILE 18 -1.132 -12.706 -3.177 119 HA ILE 18 HA ILE 18 1.053 -12.333 -5.189 120 HB ILE 18 HB ILE 18 0.652 -10.889 -2.549 121 1HG1 ILE 18 2HG1 ILE 18 0.484 -9.064 -4.651 122 2HG1 ILE 18 1HG1 ILE 18 -0.429 -10.454 -5.235 123 1HG2 ILE 18 1HG2 ILE 18 2.615 -9.777 -2.958 124 2HG2 ILE 18 2HG2 ILE 18 2.418 -9.855 -4.709 125 3HG2 ILE 18 3HG2 ILE 18 3.004 -11.263 -3.825 126 1HD1 ILE 18 1HD1 ILE 18 -0.845 -9.129 -2.538 127 2HD1 ILE 18 2HD1 ILE 18 -1.801 -10.451 -3.211 128 3HD1 ILE 18 3HD1 ILE 18 -1.852 -8.854 -3.959 129 H THR 19 H THR 19 2.794 -13.622 -4.948 130 HA THR 19 HA THR 19 3.404 -14.735 -2.241 131 HB THR 19 HB THR 19 3.617 -16.222 -4.881 132 HG1 THR 19 HG1 THR 19 1.675 -16.854 -4.462 133 1HG2 THR 19 1HG2 THR 19 4.725 -16.660 -2.208 134 2HG2 THR 19 2HG2 THR 19 5.125 -17.451 -3.732 135 3HG2 THR 19 3HG2 THR 19 3.761 -18.025 -2.774 136 H LEU 20 H LEU 20 5.541 -14.516 -1.655 137 HA LEU 20 HA LEU 20 7.289 -12.850 -3.203 138 1HB LEU 20 2HB LEU 20 7.290 -14.019 -0.592 139 2HB LEU 20 1HB LEU 20 8.830 -14.400 -1.359 140 HG LEU 20 HG LEU 20 7.647 -11.612 -1.334 141 1HD1 LEU 20 1HD1 LEU 20 9.972 -12.247 0.391 142 2HD1 LEU 20 2HD1 LEU 20 8.426 -12.905 0.931 143 3HD1 LEU 20 3HD1 LEU 20 8.610 -11.167 0.690 144 1HD2 LEU 20 1HD2 LEU 20 9.874 -10.933 -1.994 145 2HD2 LEU 20 2HD2 LEU 20 9.377 -12.236 -3.071 146 3HD2 LEU 20 3HD2 LEU 20 10.497 -12.564 -1.749 147 H THR 21 H THR 21 8.510 -13.386 -4.916 148 HA THR 21 HA THR 21 9.122 -16.268 -5.398 149 HB THR 21 HB THR 21 7.805 -15.110 -7.159 150 HG1 THR 21 HG1 THR 21 8.859 -16.525 -8.273 151 1HG2 THR 21 1HG2 THR 21 8.467 -13.172 -8.193 152 2HG2 THR 21 2HG2 THR 21 10.183 -13.532 -8.003 153 3HG2 THR 21 3HG2 THR 21 9.257 -12.908 -6.638 154 H SER 22 H SER 22 10.588 -13.078 -5.025 155 HA SER 22 HA SER 22 13.238 -13.818 -5.912 156 1HB SER 22 2HB SER 22 11.953 -11.464 -4.998 157 2HB SER 22 1HB SER 22 13.295 -11.751 -3.896 158 HG SER 22 HG SER 22 13.924 -10.556 -5.749 159 H ASP 23 H ASP 23 11.627 -13.778 -2.742 160 HA ASP 23 HA ASP 23 14.004 -14.606 -1.279 161 1HB ASP 23 2HB ASP 23 11.112 -14.170 -0.656 162 2HB ASP 23 1HB ASP 23 12.040 -15.186 0.444 163 HA PRO 24 HA PRO 24 13.692 -18.966 -1.660 164 1HB PRO 24 2HB PRO 24 14.307 -19.793 0.896 165 2HB PRO 24 1HB PRO 24 15.500 -19.168 -0.255 166 1HG PRO 24 2HG PRO 24 14.308 -17.828 2.129 167 2HG PRO 24 1HG PRO 24 15.879 -17.556 1.357 168 1HD PRO 24 2HD PRO 24 13.599 -15.920 1.061 169 2HD PRO 24 1HD PRO 24 15.046 -15.882 0.030 170 H LYS 25 H LYS 25 11.800 -17.505 0.953 171 HA LYS 25 HA LYS 25 10.089 -19.869 1.306 172 1HB LYS 25 2HB LYS 25 10.530 -17.333 2.655 173 2HB LYS 25 1HB LYS 25 8.808 -17.637 2.425 174 1HG LYS 25 2HG LYS 25 9.091 -19.890 3.424 175 2HG LYS 25 1HG LYS 25 10.795 -19.537 3.704 176 1HD LYS 25 2HD LYS 25 8.959 -17.465 4.708 177 2HD LYS 25 1HD LYS 25 8.781 -19.026 5.505 178 1HE LYS 25 2HE LYS 25 10.459 -17.890 6.761 179 2HE LYS 25 1HE LYS 25 11.347 -19.016 5.735 180 1HZ LYS 25 1HZ LYS 25 10.833 -16.393 4.592 181 2HZ LYS 25 2HZ LYS 25 12.230 -17.358 4.524 182 3HZ LYS 25 3HZ LYS 25 11.906 -16.421 5.904 183 H LEU 26 H LEU 26 7.654 -19.582 1.039 184 HA LEU 26 HA LEU 26 6.971 -17.788 -1.247 185 1HB LEU 26 2HB LEU 26 6.781 -20.757 -1.090 186 2HB LEU 26 1HB LEU 26 5.425 -19.914 -1.840 187 HG LEU 26 HG LEU 26 7.572 -18.628 -2.975 188 1HD1 LEU 26 1HD1 LEU 26 9.386 -19.930 -2.471 189 2HD1 LEU 26 2HD1 LEU 26 8.769 -20.934 -3.783 190 3HD1 LEU 26 3HD1 LEU 26 8.397 -21.344 -2.108 191 1HD2 LEU 26 1HD2 LEU 26 7.086 -20.291 -4.917 192 2HD2 LEU 26 2HD2 LEU 26 5.754 -19.298 -4.324 193 3HD2 LEU 26 3HD2 LEU 26 5.886 -20.984 -3.823 194 HA PRO 27 HA PRO 27 3.856 -17.538 2.185 195 1HB PRO 27 2HB PRO 27 4.056 -14.809 2.502 196 2HB PRO 27 1HB PRO 27 5.047 -15.975 3.395 197 1HG PRO 27 2HG PRO 27 5.819 -14.208 1.120 198 2HG PRO 27 1HG PRO 27 6.828 -14.882 2.410 199 1HD PRO 27 2HD PRO 27 6.674 -15.848 -0.245 200 2HD PRO 27 1HD PRO 27 7.403 -16.697 1.134 201 H PHE 28 H PHE 28 1.830 -17.619 1.264 202 HA PHE 28 HA PHE 28 1.248 -16.038 -1.156 203 1HB PHE 28 2HB PHE 28 -0.923 -17.270 -1.161 204 2HB PHE 28 1HB PHE 28 0.473 -18.342 -1.157 205 HD1 PHE 28 HD1 PHE 28 1.011 -19.712 0.788 206 HD2 PHE 28 HD2 PHE 28 -2.327 -17.005 0.849 207 HE1 PHE 28 HE1 PHE 28 0.156 -20.810 2.840 208 HE2 PHE 28 HE2 PHE 28 -3.178 -18.103 2.902 209 HZ PHE 28 HZ PHE 28 -1.936 -20.004 3.897 210 H LYS 29 H LYS 29 -0.298 -14.406 -1.297 211 HA LYS 29 HA LYS 29 -1.535 -13.477 1.263 212 1HB LYS 29 2HB LYS 29 0.423 -12.071 0.839 213 2HB LYS 29 1HB LYS 29 -0.111 -11.775 -0.813 214 1HG LYS 29 2HG LYS 29 -0.856 -9.854 0.295 215 2HG LYS 29 1HG LYS 29 -2.291 -10.876 0.332 216 1HD LYS 29 2HD LYS 29 -0.987 -11.695 2.598 217 2HD LYS 29 1HD LYS 29 -0.560 -9.985 2.550 218 1HE LYS 29 2HE LYS 29 -3.093 -9.606 2.085 219 2HE LYS 29 1HE LYS 29 -3.292 -11.242 2.711 220 1HZ LYS 29 1HZ LYS 29 -2.045 -10.513 4.708 221 2HZ LYS 29 2HZ LYS 29 -3.531 -9.715 4.504 222 3HZ LYS 29 3HZ LYS 29 -2.079 -8.925 4.112 223 H VAL 30 H VAL 30 -3.691 -13.707 0.915 224 HA VAL 30 HA VAL 30 -4.777 -13.199 -1.812 225 HB VAL 30 HB VAL 30 -6.157 -14.419 0.602 226 1HG1 VAL 30 1HG1 VAL 30 -7.513 -15.339 -1.522 227 2HG1 VAL 30 2HG1 VAL 30 -6.945 -13.819 -2.215 228 3HG1 VAL 30 3HG1 VAL 30 -7.924 -13.809 -0.747 229 1HG2 VAL 30 1HG2 VAL 30 -4.627 -16.082 0.108 230 2HG2 VAL 30 2HG2 VAL 30 -4.451 -15.568 -1.570 231 3HG2 VAL 30 3HG2 VAL 30 -5.872 -16.488 -1.074 232 H LEU 31 H LEU 31 -5.562 -11.186 -2.162 233 HA LEU 31 HA LEU 31 -6.736 -9.691 0.153 234 1HB LEU 31 2HB LEU 31 -4.886 -8.874 -2.034 235 2HB LEU 31 1HB LEU 31 -6.130 -7.710 -1.579 236 HG LEU 31 HG LEU 31 -4.804 -8.974 0.723 237 1HD1 LEU 31 1HD1 LEU 31 -2.702 -7.743 0.483 238 2HD1 LEU 31 2HD1 LEU 31 -3.220 -7.121 -1.084 239 3HD1 LEU 31 3HD1 LEU 31 -2.903 -8.844 -0.880 240 1HD2 LEU 31 1HD2 LEU 31 -5.198 -6.911 1.670 241 2HD2 LEU 31 2HD2 LEU 31 -6.363 -6.807 0.347 242 3HD2 LEU 31 3HD2 LEU 31 -4.781 -6.039 0.192 243 H SER 32 H SER 32 -8.926 -9.771 -0.069 244 HA SER 32 HA SER 32 -10.100 -9.658 -2.809 245 1HB SER 32 2HB SER 32 -12.222 -10.357 -1.608 246 2HB SER 32 1HB SER 32 -10.920 -11.541 -1.557 247 HG SER 32 HG SER 32 -11.851 -11.222 0.502 248 H VAL 33 H VAL 33 -10.277 -7.515 -3.345 249 HA VAL 33 HA VAL 33 -11.923 -5.794 -1.545 250 HB VAL 33 HB VAL 33 -10.434 -3.850 -2.223 251 1HG1 VAL 33 1HG1 VAL 33 -9.727 -6.072 -0.388 252 2HG1 VAL 33 2HG1 VAL 33 -9.958 -4.357 -0.048 253 3HG1 VAL 33 3HG1 VAL 33 -8.437 -4.922 -0.738 254 1HG2 VAL 33 1HG2 VAL 33 -9.392 -5.125 -4.156 255 2HG2 VAL 33 2HG2 VAL 33 -8.474 -6.044 -2.962 256 3HG2 VAL 33 3HG2 VAL 33 -8.239 -4.302 -3.107 257 HA PRO 34 HA PRO 34 -14.039 -4.725 -5.252 258 1HB PRO 34 2HB PRO 34 -14.830 -2.158 -4.653 259 2HB PRO 34 1HB PRO 34 -15.574 -3.605 -3.952 260 1HG PRO 34 2HG PRO 34 -13.674 -1.674 -2.696 261 2HG PRO 34 1HG PRO 34 -14.920 -2.676 -1.936 262 1HD PRO 34 2HD PRO 34 -12.159 -3.231 -1.939 263 2HD PRO 34 1HD PRO 34 -13.445 -4.392 -1.549 264 H GLU 35 H GLU 35 -14.012 -3.158 -7.112 265 HA GLU 35 HA GLU 35 -11.380 -2.528 -7.985 266 1HB GLU 35 2HB GLU 35 -12.475 -1.304 -9.831 267 2HB GLU 35 1HB GLU 35 -13.240 -2.867 -9.554 268 1HG GLU 35 2HG GLU 35 -15.206 -1.783 -9.356 269 2HG GLU 35 1HG GLU 35 -14.598 -1.077 -7.859 270 H SER 36 H SER 36 -13.629 -0.657 -6.057 271 HA SER 36 HA SER 36 -12.614 1.965 -6.524 272 1HB SER 36 2HB SER 36 -14.398 0.693 -4.654 273 2HB SER 36 1HB SER 36 -13.315 1.771 -3.781 274 HG SER 36 HG SER 36 -15.153 2.872 -4.566 275 H THR 37 H THR 37 -11.543 -0.587 -4.270 276 HA THR 37 HA THR 37 -9.545 1.010 -2.945 277 HB THR 37 HB THR 37 -9.750 -1.997 -3.323 278 HG1 THR 37 HG1 THR 37 -11.379 -1.435 -2.048 279 1HG2 THR 37 1HG2 THR 37 -7.481 -1.613 -2.775 280 2HG2 THR 37 2HG2 THR 37 -8.250 -1.939 -1.221 281 3HG2 THR 37 3HG2 THR 37 -7.881 -0.280 -1.692 282 HA PRO 38 HA PRO 38 -6.723 1.099 -6.393 283 1HB PRO 38 2HB PRO 38 -4.836 2.646 -5.125 284 2HB PRO 38 1HB PRO 38 -6.319 3.296 -5.843 285 1HG PRO 38 2HG PRO 38 -5.655 2.879 -2.967 286 2HG PRO 38 1HG PRO 38 -6.766 4.044 -3.705 287 1HD PRO 38 2HD PRO 38 -7.504 1.632 -2.421 288 2HD PRO 38 1HD PRO 38 -8.555 2.636 -3.444 289 H PHE 39 H PHE 39 -4.422 0.456 -6.782 290 HA PHE 39 HA PHE 39 -3.720 -1.962 -5.388 291 1HB PHE 39 2HB PHE 39 -3.105 -1.112 -7.820 292 2HB PHE 39 1HB PHE 39 -1.687 -0.459 -7.000 293 HD1 PHE 39 HD1 PHE 39 0.184 -1.842 -7.005 294 HD2 PHE 39 HD2 PHE 39 -3.722 -3.626 -6.891 295 HE1 PHE 39 HE1 PHE 39 1.214 -4.096 -6.998 296 HE2 PHE 39 HE2 PHE 39 -2.690 -5.881 -6.881 297 HZ PHE 39 HZ PHE 39 -0.223 -6.116 -6.935 298 H THR 40 H THR 40 -3.096 1.365 -4.693 299 HA THR 40 HA THR 40 -0.598 1.162 -3.314 300 HB THR 40 HB THR 40 -1.465 3.177 -2.014 301 HG1 THR 40 HG1 THR 40 -3.488 3.692 -2.197 302 1HG2 THR 40 1HG2 THR 40 -1.514 4.645 -4.019 303 2HG2 THR 40 2HG2 THR 40 -1.666 3.213 -5.037 304 3HG2 THR 40 3HG2 THR 40 -0.204 3.466 -4.082 305 H ALA 41 H ALA 41 -3.965 0.742 -2.219 306 HA ALA 41 HA ALA 41 -3.199 0.062 0.510 307 1HB ALA 41 1HB ALA 41 -5.407 1.056 -0.012 308 2HB ALA 41 2HB ALA 41 -5.580 -0.507 0.787 309 3HB ALA 41 3HB ALA 41 -5.820 -0.376 -0.956 310 H VAL 42 H VAL 42 -4.105 -1.746 -2.429 311 HA VAL 42 HA VAL 42 -4.218 -4.354 -1.263 312 HB VAL 42 HB VAL 42 -3.354 -3.539 -4.060 313 1HG1 VAL 42 1HG1 VAL 42 -3.357 -6.091 -2.742 314 2HG1 VAL 42 2HG1 VAL 42 -2.947 -5.723 -4.417 315 3HG1 VAL 42 3HG1 VAL 42 -4.614 -6.092 -3.979 316 1HG2 VAL 42 1HG2 VAL 42 -5.640 -3.831 -4.693 317 2HG2 VAL 42 2HG2 VAL 42 -5.681 -2.855 -3.225 318 3HG2 VAL 42 3HG2 VAL 42 -6.048 -4.578 -3.148 319 H LEU 43 H LEU 43 -1.492 -2.686 -2.885 320 HA LEU 43 HA LEU 43 0.475 -4.698 -2.352 321 1HB LEU 43 2HB LEU 43 0.597 -2.666 -3.959 322 2HB LEU 43 1HB LEU 43 1.091 -1.746 -2.537 323 HG LEU 43 HG LEU 43 2.532 -4.284 -2.799 324 1HD1 LEU 43 1HD1 LEU 43 3.006 -2.156 -4.905 325 2HD1 LEU 43 2HD1 LEU 43 2.162 -3.672 -5.216 326 3HD1 LEU 43 3HD1 LEU 43 3.859 -3.691 -4.735 327 1HD2 LEU 43 1HD2 LEU 43 3.600 -1.451 -2.775 328 2HD2 LEU 43 2HD2 LEU 43 4.395 -2.916 -2.197 329 3HD2 LEU 43 3HD2 LEU 43 3.023 -2.250 -1.313 330 H LYS 44 H LYS 44 -0.740 -1.974 -0.457 331 HA LYS 44 HA LYS 44 1.285 -1.908 1.555 332 1HB LYS 44 2HB LYS 44 -1.248 -0.672 1.084 333 2HB LYS 44 1HB LYS 44 -1.274 -1.332 2.717 334 1HG LYS 44 2HG LYS 44 1.282 -0.144 2.351 335 2HG LYS 44 1HG LYS 44 0.087 1.010 1.756 336 1HD LYS 44 2HD LYS 44 -0.891 1.282 3.826 337 2HD LYS 44 1HD LYS 44 -0.513 -0.364 4.334 338 1HE LYS 44 2HE LYS 44 1.904 0.299 4.468 339 2HE LYS 44 1HE LYS 44 1.417 1.961 4.142 340 1HZ LYS 44 1HZ LYS 44 1.653 1.495 6.522 341 2HZ LYS 44 2HZ LYS 44 0.431 0.319 6.414 342 3HZ LYS 44 3HZ LYS 44 0.073 1.954 6.118 343 H PHE 45 H PHE 45 -1.900 -3.561 1.564 344 HA PHE 45 HA PHE 45 -1.535 -4.930 4.042 345 1HB PHE 45 2HB PHE 45 -3.320 -5.246 1.668 346 2HB PHE 45 1HB PHE 45 -3.209 -6.601 2.791 347 HD1 PHE 45 HD1 PHE 45 -3.868 -6.336 5.158 348 HD2 PHE 45 HD2 PHE 45 -4.331 -3.142 2.323 349 HE1 PHE 45 HE1 PHE 45 -5.379 -5.158 6.730 350 HE2 PHE 45 HE2 PHE 45 -5.842 -1.964 3.896 351 HZ PHE 45 HZ PHE 45 -6.365 -2.972 6.099 352 H ALA 46 H ALA 46 -0.777 -5.911 0.690 353 HA ALA 46 HA ALA 46 0.069 -8.577 1.306 354 1HB ALA 46 1HB ALA 46 0.531 -8.702 -0.917 355 2HB ALA 46 2HB ALA 46 1.528 -7.246 -0.883 356 3HB ALA 46 3HB ALA 46 -0.226 -7.112 -1.004 357 H ALA 47 H ALA 47 1.852 -5.495 1.161 358 HA ALA 47 HA ALA 47 4.439 -6.652 1.729 359 1HB ALA 47 1HB ALA 47 3.490 -3.815 2.230 360 2HB ALA 47 2HB ALA 47 4.100 -4.405 0.684 361 3HB ALA 47 3HB ALA 47 5.163 -4.354 2.088 362 H GLU 48 H GLU 48 1.795 -5.429 3.744 363 HA GLU 48 HA GLU 48 3.201 -5.259 6.227 364 1HB GLU 48 2HB GLU 48 0.408 -5.288 5.338 365 2HB GLU 48 1HB GLU 48 0.628 -6.063 6.906 366 1HG GLU 48 2HG GLU 48 1.067 -4.097 7.935 367 2HG GLU 48 1HG GLU 48 2.161 -3.580 6.652 368 H GLU 49 H GLU 49 1.294 -7.951 4.829 369 HA GLU 49 HA GLU 49 1.915 -9.809 6.955 370 1HB GLU 49 2HB GLU 49 -0.029 -10.034 5.382 371 2HB GLU 49 1HB GLU 49 1.109 -10.423 4.093 372 1HG GLU 49 2HG GLU 49 1.667 -12.057 6.411 373 2HG GLU 49 1HG GLU 49 -0.033 -12.210 5.967 374 H PHE 50 H PHE 50 3.495 -8.913 3.933 375 HA PHE 50 HA PHE 50 5.369 -11.150 3.951 376 1HB PHE 50 2HB PHE 50 5.007 -8.655 2.326 377 2HB PHE 50 1HB PHE 50 6.541 -9.519 2.240 378 HD1 PHE 50 HD1 PHE 50 3.071 -10.881 2.689 379 HD2 PHE 50 HD2 PHE 50 6.524 -10.583 0.151 380 HE1 PHE 50 HE1 PHE 50 2.075 -12.531 1.133 381 HE2 PHE 50 HE2 PHE 50 5.524 -12.229 -1.402 382 HZ PHE 50 HZ PHE 50 3.300 -13.202 -0.912 383 H LYS 51 H LYS 51 5.185 -8.281 5.770 384 HA LYS 51 HA LYS 51 6.677 -7.308 7.275 385 1HB LYS 51 2HB LYS 51 7.477 -9.993 7.099 386 2HB LYS 51 1HB LYS 51 8.962 -9.066 6.887 387 1HG LYS 51 2HG LYS 51 8.946 -9.031 9.170 388 2HG LYS 51 1HG LYS 51 7.840 -7.680 8.929 389 1HD LYS 51 2HD LYS 51 6.359 -8.864 10.175 390 2HD LYS 51 1HD LYS 51 6.171 -9.894 8.756 391 1HE LYS 51 2HE LYS 51 8.399 -11.001 9.781 392 2HE LYS 51 1HE LYS 51 7.683 -10.394 11.274 393 1HZ LYS 51 1HZ LYS 51 6.416 -12.205 9.293 394 2HZ LYS 51 2HZ LYS 51 5.594 -11.507 10.609 395 3HZ LYS 51 3HZ LYS 51 6.876 -12.589 10.881 396 H VAL 52 H VAL 52 6.604 -6.441 4.547 397 HA VAL 52 HA VAL 52 9.374 -5.346 4.289 398 HB VAL 52 HB VAL 52 9.034 -5.405 1.780 399 1HG1 VAL 52 1HG1 VAL 52 8.884 -8.210 2.851 400 2HG1 VAL 52 2HG1 VAL 52 10.258 -7.183 3.262 401 3HG1 VAL 52 3HG1 VAL 52 9.913 -7.562 1.574 402 1HG2 VAL 52 1HG2 VAL 52 6.812 -7.350 2.467 403 2HG2 VAL 52 2HG2 VAL 52 7.321 -6.844 0.856 404 3HG2 VAL 52 3HG2 VAL 52 6.533 -5.693 1.935 405 HA PRO 53 HA PRO 53 7.278 -1.485 3.944 406 1HB PRO 53 2HB PRO 53 9.099 -0.080 2.438 407 2HB PRO 53 1HB PRO 53 9.321 -0.460 4.154 408 1HG PRO 53 2HG PRO 53 10.643 -1.680 1.776 409 2HG PRO 53 1HG PRO 53 11.229 -1.555 3.443 410 1HD PRO 53 2HD PRO 53 10.122 -3.869 2.241 411 2HD PRO 53 1HD PRO 53 10.412 -3.629 3.978 412 H ALA 54 H ALA 54 5.568 -0.977 2.664 413 HA ALA 54 HA ALA 54 5.215 -2.018 0.003 414 1HB ALA 54 1HB ALA 54 3.243 -0.348 0.002 415 2HB ALA 54 2HB ALA 54 3.724 0.017 1.659 416 3HB ALA 54 3HB ALA 54 3.227 -1.619 1.225 417 H ALA 55 H ALA 55 6.349 1.100 1.232 418 HA ALA 55 HA ALA 55 6.201 2.525 -1.271 419 1HB ALA 55 1HB ALA 55 6.373 3.670 0.909 420 2HB ALA 55 2HB ALA 55 7.678 4.161 -0.170 421 3HB ALA 55 3HB ALA 55 7.992 3.009 1.128 422 H THR 56 H THR 56 8.661 0.436 0.183 423 HA THR 56 HA THR 56 10.506 1.023 -2.085 424 HB THR 56 HB THR 56 11.146 -0.695 0.315 425 HG1 THR 56 HG1 THR 56 11.204 1.020 1.497 426 1HG2 THR 56 1HG2 THR 56 12.979 -0.905 -1.027 427 2HG2 THR 56 2HG2 THR 56 13.395 0.671 -0.358 428 3HG2 THR 56 3HG2 THR 56 12.610 0.562 -1.932 429 H SER 57 H SER 57 8.123 -1.237 -1.268 430 HA SER 57 HA SER 57 9.497 -3.435 -2.748 431 1HB SER 57 2HB SER 57 7.203 -3.376 -0.802 432 2HB SER 57 1HB SER 57 7.412 -4.741 -1.893 433 HG SER 57 HG SER 57 8.700 -5.357 -0.322 434 H ALA 58 H ALA 58 8.328 -4.547 -4.423 435 HA ALA 58 HA ALA 58 6.043 -3.030 -5.615 436 1HB ALA 58 1HB ALA 58 7.847 -2.350 -6.985 437 2HB ALA 58 2HB ALA 58 7.137 -3.700 -7.871 438 3HB ALA 58 3HB ALA 58 8.605 -3.942 -6.924 439 H ILE 59 H ILE 59 4.845 -4.431 -7.256 440 HA ILE 59 HA ILE 59 5.048 -7.327 -6.515 441 HB ILE 59 HB ILE 59 2.641 -5.528 -6.700 442 1HG1 ILE 59 2HG1 ILE 59 3.309 -7.820 -4.831 443 2HG1 ILE 59 1HG1 ILE 59 3.792 -6.152 -4.524 444 1HG2 ILE 59 1HG2 ILE 59 2.771 -8.483 -7.313 445 2HG2 ILE 59 2HG2 ILE 59 1.940 -7.212 -8.211 446 3HG2 ILE 59 3HG2 ILE 59 1.309 -7.751 -6.655 447 1HD1 ILE 59 1HD1 ILE 59 1.001 -6.201 -5.214 448 2HD1 ILE 59 2HD1 ILE 59 1.751 -5.685 -3.705 449 3HD1 ILE 59 3HD1 ILE 59 1.295 -7.372 -3.930 450 H ILE 60 H ILE 60 5.618 -8.487 -8.275 451 HA ILE 60 HA ILE 60 5.020 -7.388 -10.975 452 HB ILE 60 HB ILE 60 6.619 -9.131 -11.779 453 1HG1 ILE 60 2HG1 ILE 60 7.744 -9.681 -9.137 454 2HG1 ILE 60 1HG1 ILE 60 6.104 -10.309 -9.301 455 1HG2 ILE 60 1HG2 ILE 60 7.586 -7.283 -9.580 456 2HG2 ILE 60 2HG2 ILE 60 7.478 -6.916 -11.300 457 3HG2 ILE 60 3HG2 ILE 60 8.649 -8.101 -10.726 458 1HD1 ILE 60 1HD1 ILE 60 7.496 -12.050 -10.113 459 2HD1 ILE 60 2HD1 ILE 60 8.515 -10.926 -11.010 460 3HD1 ILE 60 3HD1 ILE 60 6.874 -11.261 -11.562 461 H THR 61 H THR 61 4.428 -9.140 -12.652 462 HA THR 61 HA THR 61 2.226 -10.785 -11.512 463 HB THR 61 HB THR 61 2.775 -10.281 -14.447 464 HG1 THR 61 HG1 THR 61 1.159 -8.750 -12.685 465 1HG2 THR 61 1HG2 THR 61 0.472 -11.273 -12.794 466 2HG2 THR 61 2HG2 THR 61 1.146 -11.944 -14.279 467 3HG2 THR 61 3HG2 THR 61 0.160 -10.483 -14.339 468 H ASN 62 H ASN 62 1.954 -13.013 -12.304 469 HA ASN 62 HA ASN 62 4.320 -14.591 -12.144 470 1HB ASN 62 2HB ASN 62 1.463 -15.076 -12.806 471 2HB ASN 62 1HB ASN 62 2.607 -16.289 -13.377 472 1HD2 ASN 62 1HD2 ASN 62 1.604 -14.552 -10.388 473 2HD2 ASN 62 2HD2 ASN 62 2.087 -15.787 -9.329 474 H ASP 63 H ASP 63 2.800 -13.024 -14.881 475 HA ASP 63 HA ASP 63 4.171 -14.628 -16.906 476 1HB ASP 63 2HB ASP 63 2.238 -12.413 -16.845 477 2HB ASP 63 1HB ASP 63 3.427 -12.259 -18.137 478 H GLY 64 H GLY 64 4.542 -11.318 -15.590 479 1HA GLY 64 2HA GLY 64 7.116 -10.938 -15.160 480 2HA GLY 64 1HA GLY 64 7.201 -11.116 -16.911 481 H VAL 65 H VAL 65 5.108 -9.353 -14.595 482 HA VAL 65 HA VAL 65 5.632 -6.854 -16.145 483 HB VAL 65 HB VAL 65 2.903 -7.668 -15.090 484 1HG1 VAL 65 1HG1 VAL 65 2.499 -5.744 -16.965 485 2HG1 VAL 65 2HG1 VAL 65 4.072 -5.245 -16.342 486 3HG1 VAL 65 3HG1 VAL 65 2.698 -5.396 -15.248 487 1HG2 VAL 65 1HG2 VAL 65 2.355 -7.859 -17.565 488 2HG2 VAL 65 2HG2 VAL 65 3.404 -9.131 -16.941 489 3HG2 VAL 65 3HG2 VAL 65 4.090 -7.804 -17.877 490 H GLY 66 H GLY 66 6.469 -5.386 -14.752 491 1HA GLY 66 2HA GLY 66 6.364 -5.761 -11.877 492 2HA GLY 66 1HA GLY 66 7.112 -4.405 -12.713 493 H VAL 67 H VAL 67 4.115 -5.660 -11.413 494 HA VAL 67 HA VAL 67 2.493 -3.350 -12.091 495 HB VAL 67 HB VAL 67 1.970 -5.311 -9.840 496 1HG1 VAL 67 1HG1 VAL 67 -0.400 -4.810 -10.471 497 2HG1 VAL 67 2HG1 VAL 67 0.198 -3.611 -11.618 498 3HG1 VAL 67 3HG1 VAL 67 0.475 -3.394 -9.891 499 1HG2 VAL 67 1HG2 VAL 67 2.296 -6.780 -11.640 500 2HG2 VAL 67 2HG2 VAL 67 1.704 -5.614 -12.824 501 3HG2 VAL 67 3HG2 VAL 67 0.571 -6.436 -11.752 502 H ASN 68 H ASN 68 2.323 -1.451 -11.011 503 HA ASN 68 HA ASN 68 3.783 -1.181 -8.414 504 1HB ASN 68 2HB ASN 68 3.282 0.714 -10.704 505 2HB ASN 68 1HB ASN 68 3.649 1.338 -9.096 506 1HD2 ASN 68 1HD2 ASN 68 5.019 -0.197 -11.922 507 2HD2 ASN 68 2HD2 ASN 68 6.613 -0.284 -11.346 508 HA PRO 69 HA PRO 69 0.017 -0.032 -6.435 509 1HB PRO 69 2HB PRO 69 0.989 1.715 -4.541 510 2HB PRO 69 1HB PRO 69 1.198 -0.042 -4.450 511 1HG PRO 69 2HG PRO 69 3.199 2.050 -5.158 512 2HG PRO 69 1HG PRO 69 3.455 0.442 -4.461 513 1HD PRO 69 2HD PRO 69 3.846 1.163 -7.173 514 2HD PRO 69 1HD PRO 69 3.793 -0.491 -6.527 515 H ALA 70 H ALA 70 -0.269 1.195 -8.685 516 HA ALA 70 HA ALA 70 -0.806 4.067 -8.057 517 1HB ALA 70 1HB ALA 70 0.347 2.986 -10.648 518 2HB ALA 70 2HB ALA 70 1.225 3.935 -9.448 519 3HB ALA 70 3HB ALA 70 -0.103 4.666 -10.349 520 H GLN 71 H GLN 71 -1.555 1.299 -10.191 521 HA GLN 71 HA GLN 71 -3.995 2.552 -11.209 522 1HB GLN 71 2HB GLN 71 -2.991 -0.307 -11.413 523 2HB GLN 71 1HB GLN 71 -4.362 0.352 -12.303 524 1HG GLN 71 2HG GLN 71 -2.878 0.924 -13.908 525 2HG GLN 71 1HG GLN 71 -2.324 2.183 -12.802 526 1HE2 GLN 71 1HE2 GLN 71 -1.684 -1.198 -13.809 527 2HE2 GLN 71 2HE2 GLN 71 -0.076 -1.221 -13.265 528 HA PRO 72 HA PRO 72 -6.798 1.086 -8.148 529 1HB PRO 72 2HB PRO 72 -9.047 0.716 -9.686 530 2HB PRO 72 1HB PRO 72 -8.435 2.310 -9.210 531 1HG PRO 72 2HG PRO 72 -8.281 0.954 -11.864 532 2HG PRO 72 1HG PRO 72 -8.292 2.685 -11.486 533 1HD PRO 72 2HD PRO 72 -6.012 1.158 -12.158 534 2HD PRO 72 1HD PRO 72 -6.002 2.783 -11.440 535 H ALA 73 H ALA 73 -7.989 -0.833 -7.429 536 HA ALA 73 HA ALA 73 -6.825 -3.325 -8.080 537 1HB ALA 73 1HB ALA 73 -7.925 -3.367 -6.037 538 2HB ALA 73 2HB ALA 73 -9.107 -4.196 -7.050 539 3HB ALA 73 3HB ALA 73 -9.325 -2.492 -6.656 540 H GLY 74 H GLY 74 -9.785 -1.810 -9.365 541 1HA GLY 74 2HA GLY 74 -10.758 -4.023 -10.864 542 2HA GLY 74 1HA GLY 74 -11.071 -2.333 -11.255 543 H ASN 75 H ASN 75 -8.513 -1.404 -11.835 544 HA ASN 75 HA ASN 75 -8.104 -2.415 -14.511 545 1HB ASN 75 2HB ASN 75 -7.604 -0.049 -13.540 546 2HB ASN 75 1HB ASN 75 -6.075 -0.758 -13.022 547 1HD2 ASN 75 1HD2 ASN 75 -4.491 -1.248 -14.651 548 2HD2 ASN 75 2HD2 ASN 75 -4.701 -0.836 -16.285 549 H ILE 76 H ILE 76 -6.386 -2.874 -11.428 550 HA ILE 76 HA ILE 76 -4.126 -4.289 -12.460 551 HB ILE 76 HB ILE 76 -5.501 -4.503 -9.762 552 1HG1 ILE 76 2HG1 ILE 76 -4.628 -2.242 -10.393 553 2HG1 ILE 76 1HG1 ILE 76 -3.786 -2.938 -9.013 554 1HG2 ILE 76 1HG2 ILE 76 -3.381 -5.471 -8.970 555 2HG2 ILE 76 2HG2 ILE 76 -2.727 -5.404 -10.607 556 3HG2 ILE 76 3HG2 ILE 76 -4.080 -6.474 -10.241 557 1HD1 ILE 76 1HD1 ILE 76 -2.154 -1.975 -10.553 558 2HD1 ILE 76 2HD1 ILE 76 -2.816 -2.919 -11.887 559 3HD1 ILE 76 3HD1 ILE 76 -1.991 -3.730 -10.556 560 H PHE 77 H PHE 77 -7.299 -5.455 -11.296 561 HA PHE 77 HA PHE 77 -6.701 -8.251 -11.747 562 1HB PHE 77 2HB PHE 77 -8.537 -7.227 -10.242 563 2HB PHE 77 1HB PHE 77 -9.476 -7.059 -11.725 564 HD1 PHE 77 HD1 PHE 77 -10.339 -8.995 -12.903 565 HD2 PHE 77 HD2 PHE 77 -7.912 -9.458 -9.389 566 HE1 PHE 77 HE1 PHE 77 -10.989 -11.383 -12.769 567 HE2 PHE 77 HE2 PHE 77 -8.563 -11.849 -9.256 568 HZ PHE 77 HZ PHE 77 -10.102 -12.810 -10.946 569 H LEU 78 H LEU 78 -8.200 -5.694 -13.700 570 HA LEU 78 HA LEU 78 -9.134 -7.380 -15.830 571 1HB LEU 78 2HB LEU 78 -8.822 -4.509 -15.328 572 2HB LEU 78 1HB LEU 78 -8.520 -4.938 -17.009 573 HG LEU 78 HG LEU 78 -10.924 -4.395 -16.521 574 1HD1 LEU 78 1HD1 LEU 78 -10.022 -6.078 -18.305 575 2HD1 LEU 78 2HD1 LEU 78 -11.749 -6.061 -17.950 576 3HD1 LEU 78 3HD1 LEU 78 -10.718 -7.308 -17.250 577 1HD2 LEU 78 1HD2 LEU 78 -11.118 -7.062 -15.149 578 2HD2 LEU 78 2HD2 LEU 78 -12.221 -5.688 -15.070 579 3HD2 LEU 78 3HD2 LEU 78 -10.683 -5.635 -14.208 580 H LYS 79 H LYS 79 -5.997 -5.847 -15.182 581 HA LYS 79 HA LYS 79 -4.949 -6.716 -17.806 582 1HB LYS 79 2HB LYS 79 -4.314 -4.647 -15.956 583 2HB LYS 79 1HB LYS 79 -2.901 -5.695 -16.081 584 1HG LYS 79 2HG LYS 79 -2.439 -4.962 -18.156 585 2HG LYS 79 1HG LYS 79 -4.097 -5.239 -18.687 586 1HD LYS 79 2HD LYS 79 -4.701 -3.088 -17.432 587 2HD LYS 79 1HD LYS 79 -2.966 -2.780 -17.339 588 1HE LYS 79 2HE LYS 79 -3.034 -1.943 -19.426 589 2HE LYS 79 1HE LYS 79 -3.509 -3.535 -20.014 590 1HZ LYS 79 1HZ LYS 79 -5.085 -1.732 -20.588 591 2HZ LYS 79 2HZ LYS 79 -5.418 -1.530 -18.934 592 3HZ LYS 79 3HZ LYS 79 -5.794 -2.996 -19.709 593 H HIS 80 H HIS 80 -3.891 -7.155 -14.394 594 HA HIS 80 HA HIS 80 -2.358 -9.545 -15.228 595 1HB HIS 80 2HB HIS 80 -2.564 -8.518 -12.399 596 2HB HIS 80 1HB HIS 80 -1.241 -9.402 -13.155 597 HD1 HIS 80 HD1 HIS 80 -0.082 -7.975 -15.264 598 HD2 HIS 80 HD2 HIS 80 -2.126 -5.797 -12.356 599 HE1 HIS 80 HE1 HIS 80 0.705 -5.577 -15.477 600 H GLY 81 H GLY 81 -4.883 -8.754 -12.800 601 1HA GLY 81 2HA GLY 81 -6.853 -10.195 -12.548 602 2HA GLY 81 1HA GLY 81 -5.869 -11.561 -13.071 603 H SER 82 H SER 82 -5.513 -12.920 -11.400 604 HA SER 82 HA SER 82 -5.154 -11.761 -8.667 605 1HB SER 82 2HB SER 82 -7.020 -13.524 -9.293 606 2HB SER 82 1HB SER 82 -5.694 -14.675 -9.140 607 HG SER 82 HG SER 82 -6.653 -14.421 -7.138 608 H GLU 83 H GLU 83 -3.798 -14.104 -10.989 609 HA GLU 83 HA GLU 83 -1.701 -15.112 -9.345 610 1HB GLU 83 2HB GLU 83 -2.238 -14.960 -12.273 611 2HB GLU 83 1HB GLU 83 -0.568 -15.257 -11.788 612 1HG GLU 83 2HG GLU 83 -2.698 -16.836 -10.413 613 2HG GLU 83 1HG GLU 83 -2.322 -17.260 -12.082 614 H LEU 84 H LEU 84 -0.500 -13.617 -8.213 615 HA LEU 84 HA LEU 84 1.177 -11.740 -9.813 616 1HB LEU 84 2HB LEU 84 -0.578 -11.065 -7.452 617 2HB LEU 84 1HB LEU 84 0.850 -10.101 -7.827 618 HG LEU 84 HG LEU 84 -0.945 -10.698 -10.116 619 1HD1 LEU 84 1HD1 LEU 84 -2.043 -9.708 -7.684 620 2HD1 LEU 84 2HD1 LEU 84 -2.825 -9.808 -9.261 621 3HD1 LEU 84 3HD1 LEU 84 -1.945 -8.349 -8.803 622 1HD2 LEU 84 1HD2 LEU 84 -0.252 -8.525 -10.814 623 2HD2 LEU 84 2HD2 LEU 84 1.176 -9.246 -10.071 624 3HD2 LEU 84 3HD2 LEU 84 0.217 -8.068 -9.176 625 H ARG 85 H ARG 85 3.087 -10.965 -8.509 626 HA ARG 85 HA ARG 85 3.846 -12.836 -6.309 627 1HB ARG 85 2HB ARG 85 5.720 -12.058 -8.558 628 2HB ARG 85 1HB ARG 85 6.006 -13.245 -7.286 629 1HG ARG 85 2HG ARG 85 3.625 -14.095 -8.467 630 2HG ARG 85 1HG ARG 85 4.608 -13.566 -9.832 631 1HD ARG 85 2HD ARG 85 5.677 -15.544 -9.696 632 2HD ARG 85 1HD ARG 85 6.386 -14.968 -8.190 633 HE ARG 85 HE ARG 85 3.724 -16.133 -7.850 634 1HH1 ARG 85 1HH2 ARG 85 5.730 -16.281 -5.697 635 2HH1 ARG 85 2HH2 ARG 85 6.314 -17.908 -5.808 636 1HH2 ARG 85 2HH1 ARG 85 5.075 -18.410 -9.023 637 2HH2 ARG 85 1HH1 ARG 85 5.941 -19.122 -7.702 638 H LEU 86 H LEU 86 5.370 -11.949 -4.812 639 HA LEU 86 HA LEU 86 5.506 -8.976 -4.878 640 1HB LEU 86 2HB LEU 86 4.733 -10.552 -2.846 641 2HB LEU 86 1HB LEU 86 6.464 -10.518 -2.513 642 HG LEU 86 HG LEU 86 5.373 -7.878 -3.194 643 1HD1 LEU 86 1HD1 LEU 86 4.020 -9.558 -1.185 644 2HD1 LEU 86 2HD1 LEU 86 3.471 -8.077 -1.969 645 3HD1 LEU 86 3HD1 LEU 86 4.548 -7.990 -0.574 646 1HD2 LEU 86 1HD2 LEU 86 7.517 -9.022 -1.752 647 2HD2 LEU 86 2HD2 LEU 86 6.538 -8.173 -0.557 648 3HD2 LEU 86 3HD2 LEU 86 7.170 -7.304 -1.955 649 H ILE 87 H ILE 87 7.461 -7.884 -4.817 650 HA ILE 87 HA ILE 87 10.002 -9.332 -4.532 651 HB ILE 87 HB ILE 87 9.422 -9.722 -6.908 652 1HG1 ILE 87 2HG1 ILE 87 11.631 -7.663 -6.592 653 2HG1 ILE 87 1HG1 ILE 87 11.800 -9.389 -6.266 654 1HG2 ILE 87 1HG2 ILE 87 8.822 -8.055 -8.392 655 2HG2 ILE 87 2HG2 ILE 87 9.674 -6.798 -7.496 656 3HG2 ILE 87 3HG2 ILE 87 8.126 -7.405 -6.908 657 1HD1 ILE 87 1HD1 ILE 87 12.541 -9.362 -8.450 658 2HD1 ILE 87 2HD1 ILE 87 11.548 -7.969 -8.880 659 3HD1 ILE 87 3HD1 ILE 87 10.815 -9.567 -8.747 660 HA PRO 88 HA PRO 88 10.970 -5.321 -2.925 661 1HB PRO 88 2HB PRO 88 13.694 -5.660 -2.708 662 2HB PRO 88 1HB PRO 88 12.526 -6.358 -1.571 663 1HG PRO 88 2HG PRO 88 14.059 -7.704 -3.757 664 2HG PRO 88 1HG PRO 88 13.471 -8.370 -2.224 665 1HD PRO 88 2HD PRO 88 12.261 -8.770 -4.723 666 2HD PRO 88 1HD PRO 88 11.472 -9.029 -3.152 667 H ARG 89 H ARG 89 11.045 -3.495 -4.155 668 HA ARG 89 HA ARG 89 11.735 -1.923 -5.750 669 1HB ARG 89 2HB ARG 89 14.089 -3.553 -5.317 670 2HB ARG 89 1HB ARG 89 13.974 -3.084 -7.013 671 1HG ARG 89 2HG ARG 89 14.123 -0.825 -6.546 672 2HG ARG 89 1HG ARG 89 13.465 -1.004 -4.918 673 1HD ARG 89 2HD ARG 89 15.961 -2.477 -5.263 674 2HD ARG 89 1HD ARG 89 16.159 -0.757 -5.589 675 HE ARG 89 HE ARG 89 15.434 -0.285 -3.308 676 1HH1 ARG 89 1HH2 ARG 89 17.605 -2.326 -2.923 677 2HH1 ARG 89 2HH2 ARG 89 16.860 -3.426 -1.812 678 1HH2 ARG 89 2HH1 ARG 89 13.647 -2.268 -2.414 679 2HH2 ARG 89 1HH1 ARG 89 14.606 -3.412 -1.547 680 H ASP 90 H ASP 90 11.228 -1.600 -7.929 681 HA ASP 90 HA ASP 90 9.793 -3.721 -9.266 682 1HB ASP 90 2HB ASP 90 9.931 -0.936 -9.491 683 2HB ASP 90 1HB ASP 90 10.589 -1.525 -11.016 684 H ARG 91 H ARG 91 10.830 -5.420 -10.201 685 HA ARG 91 HA ARG 91 13.326 -4.846 -11.752 686 1HB ARG 91 2HB ARG 91 12.763 -6.855 -9.664 687 2HB ARG 91 1HB ARG 91 13.570 -7.489 -11.097 688 1HG ARG 91 2HG ARG 91 15.129 -5.417 -10.844 689 2HG ARG 91 1HG ARG 91 14.509 -5.359 -9.193 690 1HD ARG 91 2HD ARG 91 15.096 -8.050 -9.584 691 2HD ARG 91 1HD ARG 91 16.424 -7.211 -10.386 692 HE ARG 91 HE ARG 91 16.186 -5.918 -7.942 693 1HH1 ARG 91 1HH2 ARG 91 15.204 -8.883 -7.439 694 2HH1 ARG 91 2HH2 ARG 91 16.640 -9.536 -6.731 695 1HH2 ARG 91 2HH1 ARG 91 18.659 -6.883 -7.725 696 2HH2 ARG 91 1HH1 ARG 91 18.604 -8.405 -6.899 697 H VAL 92 H VAL 92 10.640 -7.203 -11.409 698 HA VAL 92 HA VAL 92 9.384 -8.319 -13.045 699 HB VAL 92 HB VAL 92 10.818 -6.677 -15.150 700 1HG1 VAL 92 1HG1 VAL 92 8.698 -7.005 -16.368 701 2HG1 VAL 92 2HG1 VAL 92 8.049 -7.908 -14.998 702 3HG1 VAL 92 3HG1 VAL 92 9.412 -8.553 -15.914 703 1HG2 VAL 92 1HG2 VAL 92 10.032 -4.951 -13.773 704 2HG2 VAL 92 2HG2 VAL 92 8.640 -5.885 -13.226 705 3HG2 VAL 92 3HG2 VAL 92 8.661 -5.206 -14.854 706 H GLY 93 H GLY 93 10.809 -10.142 -12.387 707 1HA GLY 93 2HA GLY 93 12.638 -10.943 -14.621 708 2HA GLY 93 1HA GLY 93 13.026 -11.287 -12.935 709 H HIS 94 HN HIS 94 10.405 -11.837 -15.312 710 HA HIS 94 HA HIS 94 10.229 -14.638 -14.329 711 1HB HIS 94 2HB HIS 94 8.302 -12.635 -13.733 712 2HB HIS 94 1HB HIS 94 7.578 -13.699 -14.937 713 HD1 HIS 94 HD1 HIS 94 8.048 -13.455 -11.396 714 HD2 HIS 94 HD2 HIS 94 8.063 -16.605 -14.111 715 HE1 HIS 94 HE1 HIS 94 7.712 -15.567 -10.042 Start of MODEL 21 1 1H MET 1 1H MET 1 -9.920 -13.965 3.420 2 2H MET 1 2H MET 1 -11.536 -14.416 3.144 3 3H MET 1 3H MET 1 -10.719 -14.973 4.526 4 HA MET 1 HA MET 1 -10.490 -12.600 5.249 5 1HB MET 1 2HB MET 1 -11.033 -11.822 2.834 6 2HB MET 1 1HB MET 1 -12.718 -12.104 3.275 7 1HG MET 1 2HG MET 1 -12.592 -10.517 5.090 8 2HG MET 1 1HG MET 1 -10.845 -10.365 4.909 9 1HE MET 1 1HE MET 1 -10.381 -8.963 1.461 10 2HE MET 1 2HE MET 1 -9.900 -10.152 2.666 11 3HE MET 1 3HE MET 1 -9.748 -8.434 3.027 12 H SER 2 H SER 2 -11.675 -12.444 7.102 13 HA SER 2 HA SER 2 -13.315 -12.918 8.702 14 1HB SER 2 2HB SER 2 -14.634 -11.942 6.399 15 2HB SER 2 1HB SER 2 -15.569 -13.338 6.920 16 HG SER 2 HG SER 2 -15.162 -10.892 8.140 17 H GLY 3 H GLY 3 -12.313 -14.984 9.120 18 1HA GLY 3 2HA GLY 3 -12.801 -17.381 7.697 19 2HA GLY 3 1HA GLY 3 -12.351 -17.310 9.400 20 H GLY 4 H GLY 4 -14.810 -18.116 7.232 21 1HA GLY 4 2HA GLY 4 -16.666 -19.480 8.167 22 2HA GLY 4 1HA GLY 4 -16.782 -18.301 9.474 23 H THR 5 H THR 5 -17.224 -15.966 8.648 24 HA THR 5 HA THR 5 -19.565 -16.113 6.862 25 HB THR 5 HB THR 5 -19.613 -14.802 8.997 26 HG1 THR 5 HG1 THR 5 -21.101 -13.900 7.834 27 1HG2 THR 5 1HG2 THR 5 -17.333 -13.460 7.641 28 2HG2 THR 5 2HG2 THR 5 -17.624 -13.723 9.358 29 3HG2 THR 5 3HG2 THR 5 -18.453 -12.415 8.515 30 H ALA 6 H ALA 6 -19.833 -14.519 5.085 31 HA ALA 6 HA ALA 6 -17.420 -14.374 3.425 32 1HB ALA 6 1HB ALA 6 -19.584 -14.870 2.369 33 2HB ALA 6 2HB ALA 6 -18.948 -13.345 1.749 34 3HB ALA 6 3HB ALA 6 -20.237 -13.339 2.953 35 H ALA 7 H ALA 7 -19.504 -12.149 5.238 36 HA ALA 7 HA ALA 7 -19.295 -9.867 5.729 37 1HB ALA 7 1HB ALA 7 -16.929 -9.235 6.387 38 2HB ALA 7 2HB ALA 7 -16.426 -10.834 5.840 39 3HB ALA 7 3HB ALA 7 -17.558 -10.677 7.182 40 H THR 8 H THR 8 -19.645 -10.214 3.012 41 HA THR 8 HA THR 8 -17.564 -8.835 1.500 42 HB THR 8 HB THR 8 -19.349 -8.829 -0.321 43 HG1 THR 8 HG1 THR 8 -21.285 -9.206 0.355 44 1HG2 THR 8 1HG2 THR 8 -17.599 -10.665 0.190 45 2HG2 THR 8 2HG2 THR 8 -18.962 -11.092 -0.846 46 3HG2 THR 8 3HG2 THR 8 -18.957 -11.577 0.849 47 H THR 9 H THR 9 -17.243 -6.699 1.823 48 HA THR 9 HA THR 9 -19.361 -4.940 2.803 49 HB THR 9 HB THR 9 -17.603 -3.143 2.457 50 HG1 THR 9 HG1 THR 9 -15.663 -3.711 1.692 51 1HG2 THR 9 1HG2 THR 9 -17.729 -5.246 4.352 52 2HG2 THR 9 2HG2 THR 9 -17.011 -3.650 4.564 53 3HG2 THR 9 3HG2 THR 9 -16.021 -4.993 3.992 54 H ALA 10 H ALA 10 -17.657 -5.452 -0.279 55 HA ALA 10 HA ALA 10 -19.644 -3.659 -1.618 56 1HB ALA 10 1HB ALA 10 -17.734 -4.070 -3.511 57 2HB ALA 10 2HB ALA 10 -16.759 -4.202 -2.048 58 3HB ALA 10 3HB ALA 10 -17.686 -2.735 -2.360 59 H GLY 11 H GLY 11 -20.619 -4.431 -3.584 60 1HA GLY 11 2HA GLY 11 -21.239 -7.254 -3.592 61 2HA GLY 11 1HA GLY 11 -21.741 -6.088 -4.817 62 H SER 12 H SER 12 -19.651 -5.240 -6.110 63 HA SER 12 HA SER 12 -18.390 -7.688 -7.214 64 1HB SER 12 2HB SER 12 -17.714 -6.177 -9.087 65 2HB SER 12 1HB SER 12 -19.454 -6.211 -8.833 66 HG SER 12 HG SER 12 -18.748 -4.080 -9.035 67 H LYS 13 H LYS 13 -16.380 -8.226 -6.568 68 HA LYS 13 HA LYS 13 -14.407 -6.075 -6.019 69 1HB LYS 13 2HB LYS 13 -13.722 -7.863 -4.065 70 2HB LYS 13 1HB LYS 13 -14.678 -6.412 -3.784 71 1HG LYS 13 2HG LYS 13 -16.721 -7.614 -3.808 72 2HG LYS 13 1HG LYS 13 -15.981 -9.020 -4.573 73 1HD LYS 13 2HD LYS 13 -16.064 -9.761 -2.380 74 2HD LYS 13 1HD LYS 13 -14.475 -8.995 -2.383 75 1HE LYS 13 2HE LYS 13 -16.263 -6.907 -1.831 76 2HE LYS 13 1HE LYS 13 -16.863 -8.268 -0.885 77 1HZ LYS 13 1HZ LYS 13 -14.304 -8.500 -0.353 78 2HZ LYS 13 2HZ LYS 13 -15.315 -7.472 0.544 79 3HZ LYS 13 3HZ LYS 13 -14.325 -6.835 -0.681 80 H VAL 14 H VAL 14 -12.208 -6.800 -6.189 81 HA VAL 14 HA VAL 14 -11.925 -9.299 -7.803 82 HB VAL 14 HB VAL 14 -9.819 -8.249 -8.663 83 1HG1 VAL 14 1HG1 VAL 14 -12.556 -7.195 -9.075 84 2HG1 VAL 14 2HG1 VAL 14 -11.410 -7.847 -10.245 85 3HG1 VAL 14 3HG1 VAL 14 -11.254 -6.180 -9.692 86 1HG2 VAL 14 1HG2 VAL 14 -9.902 -5.623 -8.258 87 2HG2 VAL 14 2HG2 VAL 14 -9.076 -6.683 -7.119 88 3HG2 VAL 14 3HG2 VAL 14 -10.698 -6.103 -6.761 89 H THR 15 H THR 15 -10.391 -10.828 -7.202 90 HA THR 15 HA THR 15 -9.250 -10.505 -4.471 91 HB THR 15 HB THR 15 -8.835 -12.999 -4.685 92 HG1 THR 15 HG1 THR 15 -9.057 -13.775 -6.606 93 1HG2 THR 15 1HG2 THR 15 -10.951 -13.456 -3.907 94 2HG2 THR 15 2HG2 THR 15 -11.738 -12.570 -5.213 95 3HG2 THR 15 3HG2 THR 15 -11.025 -11.695 -3.858 96 H PHE 16 H PHE 16 -7.017 -10.830 -4.076 97 HA PHE 16 HA PHE 16 -5.274 -10.918 -6.507 98 1HB PHE 16 2HB PHE 16 -5.000 -9.155 -4.058 99 2HB PHE 16 1HB PHE 16 -3.725 -9.367 -5.258 100 HD1 PHE 16 HD1 PHE 16 -6.405 -7.318 -4.335 101 HD2 PHE 16 HD2 PHE 16 -4.622 -9.124 -7.802 102 HE1 PHE 16 HE1 PHE 16 -7.472 -5.606 -5.777 103 HE2 PHE 16 HE2 PHE 16 -5.690 -7.412 -9.243 104 HZ PHE 16 HZ PHE 16 -7.113 -5.653 -8.230 105 H LYS 17 H LYS 17 -3.314 -12.024 -6.271 106 HA LYS 17 HA LYS 17 -2.913 -13.509 -3.705 107 1HB LYS 17 2HB LYS 17 -3.949 -14.836 -5.679 108 2HB LYS 17 1HB LYS 17 -2.353 -14.711 -6.418 109 1HG LYS 17 2HG LYS 17 -1.850 -15.498 -3.776 110 2HG LYS 17 1HG LYS 17 -3.250 -16.451 -4.272 111 1HD LYS 17 2HD LYS 17 -1.378 -16.367 -6.447 112 2HD LYS 17 1HD LYS 17 -0.527 -16.866 -4.984 113 1HE LYS 17 2HE LYS 17 -1.349 -18.928 -5.501 114 2HE LYS 17 1HE LYS 17 -2.825 -18.317 -4.753 115 1HZ LYS 17 1HZ LYS 17 -3.604 -19.001 -6.773 116 2HZ LYS 17 2HZ LYS 17 -2.169 -18.624 -7.597 117 3HZ LYS 17 3HZ LYS 17 -3.239 -17.384 -7.136 118 H ILE 18 H ILE 18 -0.932 -12.937 -2.903 119 HA ILE 18 HA ILE 18 1.227 -12.280 -4.873 120 HB ILE 18 HB ILE 18 0.776 -11.085 -2.119 121 1HG1 ILE 18 2HG1 ILE 18 0.745 -9.026 -3.920 122 2HG1 ILE 18 1HG1 ILE 18 -0.006 -10.308 -4.870 123 1HG2 ILE 18 1HG2 ILE 18 2.959 -10.539 -2.211 124 2HG2 ILE 18 2HG2 ILE 18 2.604 -9.564 -3.637 125 3HG2 ILE 18 3HG2 ILE 18 3.115 -11.241 -3.821 126 1HD1 ILE 18 1HD1 ILE 18 -1.840 -9.349 -3.762 127 2HD1 ILE 18 2HD1 ILE 18 -0.929 -9.094 -2.273 128 3HD1 ILE 18 3HD1 ILE 18 -1.441 -10.720 -2.726 129 H THR 19 H THR 19 3.040 -13.464 -4.729 130 HA THR 19 HA THR 19 3.602 -14.992 -2.215 131 HB THR 19 HB THR 19 4.377 -16.027 -4.939 132 HG1 THR 19 HG1 THR 19 1.907 -16.399 -3.598 133 1HG2 THR 19 1HG2 THR 19 5.410 -17.116 -3.052 134 2HG2 THR 19 2HG2 THR 19 4.177 -18.204 -3.690 135 3HG2 THR 19 3HG2 THR 19 3.858 -17.270 -2.228 136 H LEU 20 H LEU 20 5.851 -15.122 -1.662 137 HA LEU 20 HA LEU 20 7.485 -12.926 -2.583 138 1HB LEU 20 2HB LEU 20 7.574 -14.799 -0.452 139 2HB LEU 20 1HB LEU 20 9.088 -14.971 -1.338 140 HG LEU 20 HG LEU 20 8.008 -12.255 -0.579 141 1HD1 LEU 20 1HD1 LEU 20 9.967 -12.641 1.235 142 2HD1 LEU 20 2HD1 LEU 20 9.367 -14.294 1.109 143 3HD1 LEU 20 3HD1 LEU 20 8.274 -12.994 1.576 144 1HD2 LEU 20 1HD2 LEU 20 9.741 -11.853 -2.039 145 2HD2 LEU 20 2HD2 LEU 20 10.518 -13.400 -1.706 146 3HD2 LEU 20 3HD2 LEU 20 10.699 -12.061 -0.572 147 H THR 21 H THR 21 9.158 -12.897 -4.067 148 HA THR 21 HA THR 21 9.251 -15.119 -5.990 149 HB THR 21 HB THR 21 10.876 -13.569 -7.189 150 HG1 THR 21 HG1 THR 21 11.462 -11.799 -6.233 151 1HG2 THR 21 1HG2 THR 21 8.040 -13.364 -6.786 152 2HG2 THR 21 2HG2 THR 21 8.974 -12.998 -8.235 153 3HG2 THR 21 3HG2 THR 21 8.706 -11.749 -7.021 154 H SER 22 H SER 22 11.571 -13.468 -3.816 155 HA SER 22 HA SER 22 13.724 -15.326 -4.457 156 1HB SER 22 2HB SER 22 13.392 -12.903 -2.878 157 2HB SER 22 1HB SER 22 14.329 -14.111 -2.003 158 HG SER 22 HG SER 22 15.481 -12.651 -3.519 159 H ASP 23 H ASP 23 11.778 -14.774 -1.493 160 HA ASP 23 HA ASP 23 12.715 -17.259 -0.285 161 1HB ASP 23 2HB ASP 23 11.854 -15.013 0.836 162 2HB ASP 23 1HB ASP 23 10.287 -15.809 0.707 163 HA PRO 24 HA PRO 24 9.583 -19.779 -2.181 164 1HB PRO 24 2HB PRO 24 10.231 -22.081 -0.819 165 2HB PRO 24 1HB PRO 24 11.163 -21.471 -2.198 166 1HG PRO 24 2HG PRO 24 11.843 -21.397 0.706 167 2HG PRO 24 1HG PRO 24 12.922 -21.416 -0.698 168 1HD PRO 24 2HD PRO 24 12.254 -19.142 0.845 169 2HD PRO 24 1HD PRO 24 13.045 -19.127 -0.746 170 H LYS 25 H LYS 25 7.704 -18.824 -1.230 171 HA LYS 25 HA LYS 25 7.007 -19.663 1.538 172 1HB LYS 25 2HB LYS 25 6.725 -17.240 0.120 173 2HB LYS 25 1HB LYS 25 5.091 -17.873 0.326 174 1HG LYS 25 2HG LYS 25 6.349 -18.341 2.786 175 2HG LYS 25 1HG LYS 25 6.882 -16.730 2.310 176 1HD LYS 25 2HD LYS 25 4.222 -16.626 1.667 177 2HD LYS 25 1HD LYS 25 4.197 -17.666 3.091 178 1HE LYS 25 2HE LYS 25 4.692 -15.947 4.472 179 2HE LYS 25 1HE LYS 25 5.995 -15.387 3.424 180 1HZ LYS 25 1HZ LYS 25 4.464 -13.677 3.338 181 2HZ LYS 25 2HZ LYS 25 3.126 -14.723 3.323 182 3HZ LYS 25 3HZ LYS 25 4.097 -14.562 1.939 183 H LEU 26 H LEU 26 5.582 -21.275 1.827 184 HA LEU 26 HA LEU 26 4.286 -22.622 -0.359 185 1HB LEU 26 2HB LEU 26 4.517 -22.959 2.529 186 2HB LEU 26 1HB LEU 26 2.890 -23.334 1.963 187 HG LEU 26 HG LEU 26 4.950 -24.414 0.192 188 1HD1 LEU 26 1HD1 LEU 26 5.768 -26.143 1.721 189 2HD1 LEU 26 2HD1 LEU 26 4.833 -25.445 3.043 190 3HD1 LEU 26 3HD1 LEU 26 6.183 -24.549 2.351 191 1HD2 LEU 26 1HD2 LEU 26 2.562 -25.050 0.153 192 2HD2 LEU 26 2HD2 LEU 26 2.696 -25.666 1.800 193 3HD2 LEU 26 3HD2 LEU 26 3.577 -26.453 0.491 194 HA PRO 27 HA PRO 27 0.290 -20.434 1.112 195 1HB PRO 27 2HB PRO 27 0.489 -18.614 3.163 196 2HB PRO 27 1HB PRO 27 0.173 -20.340 3.413 197 1HG PRO 27 2HG PRO 27 2.682 -18.805 3.887 198 2HG PRO 27 1HG PRO 27 2.116 -20.295 4.658 199 1HD PRO 27 2HD PRO 27 4.072 -20.117 2.620 200 2HD PRO 27 1HD PRO 27 3.269 -21.601 3.176 201 H PHE 28 H PHE 28 -0.644 -18.215 0.691 202 HA PHE 28 HA PHE 28 1.373 -16.218 -0.225 203 1HB PHE 28 2HB PHE 28 -0.212 -15.849 -2.244 204 2HB PHE 28 1HB PHE 28 0.863 -17.244 -2.284 205 HD1 PHE 28 HD1 PHE 28 -2.627 -16.161 -1.575 206 HD2 PHE 28 HD2 PHE 28 0.011 -19.475 -2.295 207 HE1 PHE 28 HE1 PHE 28 -4.581 -17.670 -1.800 208 HE2 PHE 28 HE2 PHE 28 -1.944 -20.982 -2.519 209 HZ PHE 28 HZ PHE 28 -4.241 -20.079 -2.271 210 H LYS 29 H LYS 29 0.413 -14.044 -0.550 211 HA LYS 29 HA LYS 29 -1.487 -13.428 1.588 212 1HB LYS 29 2HB LYS 29 0.592 -12.052 0.435 213 2HB LYS 29 1HB LYS 29 -0.803 -11.272 -0.303 214 1HG LYS 29 2HG LYS 29 -0.838 -11.785 2.649 215 2HG LYS 29 1HG LYS 29 0.121 -10.439 2.034 216 1HD LYS 29 2HD LYS 29 -1.775 -9.375 1.082 217 2HD LYS 29 1HD LYS 29 -2.758 -10.833 1.213 218 1HE LYS 29 2HE LYS 29 -2.190 -10.542 3.805 219 2HE LYS 29 1HE LYS 29 -2.010 -8.855 3.324 220 1HZ LYS 29 1HZ LYS 29 -4.392 -10.536 2.756 221 2HZ LYS 29 2HZ LYS 29 -4.215 -8.884 2.399 222 3HZ LYS 29 3HZ LYS 29 -4.282 -9.405 4.014 223 H VAL 30 H VAL 30 -3.646 -13.488 1.292 224 HA VAL 30 HA VAL 30 -4.744 -13.248 -1.469 225 HB VAL 30 HB VAL 30 -6.124 -14.150 1.084 226 1HG1 VAL 30 1HG1 VAL 30 -7.696 -13.308 -0.578 227 2HG1 VAL 30 2HG1 VAL 30 -7.796 -15.068 -0.539 228 3HG1 VAL 30 3HG1 VAL 30 -6.922 -14.262 -1.843 229 1HG2 VAL 30 1HG2 VAL 30 -5.316 -16.235 0.730 230 2HG2 VAL 30 2HG2 VAL 30 -4.156 -15.496 -0.372 231 3HG2 VAL 30 3HG2 VAL 30 -5.668 -16.154 -0.996 232 H LEU 31 H LEU 31 -5.542 -11.281 -2.031 233 HA LEU 31 HA LEU 31 -6.507 -9.476 0.154 234 1HB LEU 31 2HB LEU 31 -4.664 -9.050 -2.078 235 2HB LEU 31 1HB LEU 31 -5.964 -7.858 -2.043 236 HG LEU 31 HG LEU 31 -4.858 -8.424 0.613 237 1HD1 LEU 31 1HD1 LEU 31 -3.087 -7.340 -1.589 238 2HD1 LEU 31 2HD1 LEU 31 -2.752 -8.684 -0.499 239 3HD1 LEU 31 3HD1 LEU 31 -2.780 -7.033 0.121 240 1HD2 LEU 31 1HD2 LEU 31 -6.415 -6.544 -0.125 241 2HD2 LEU 31 2HD2 LEU 31 -5.023 -5.826 -0.934 242 3HD2 LEU 31 3HD2 LEU 31 -5.012 -6.037 0.817 243 H SER 32 H SER 32 -8.698 -9.481 0.115 244 HA SER 32 HA SER 32 -10.085 -9.572 -2.531 245 1HB SER 32 2HB SER 32 -10.898 -10.378 0.255 246 2HB SER 32 1HB SER 32 -12.125 -10.008 -0.951 247 HG SER 32 HG SER 32 -10.767 -12.248 -0.647 248 H VAL 33 H VAL 33 -10.169 -7.435 -3.156 249 HA VAL 33 HA VAL 33 -11.645 -5.573 -1.342 250 HB VAL 33 HB VAL 33 -10.163 -3.719 -2.228 251 1HG1 VAL 33 1HG1 VAL 33 -9.773 -5.495 -0.115 252 2HG1 VAL 33 2HG1 VAL 33 -8.984 -3.932 -0.320 253 3HG1 VAL 33 3HG1 VAL 33 -8.192 -5.400 -0.890 254 1HG2 VAL 33 1HG2 VAL 33 -7.836 -5.209 -2.810 255 2HG2 VAL 33 2HG2 VAL 33 -8.773 -4.220 -3.930 256 3HG2 VAL 33 3HG2 VAL 33 -9.122 -5.940 -3.770 257 HA PRO 34 HA PRO 34 -14.055 -4.646 -4.889 258 1HB PRO 34 2HB PRO 34 -14.681 -2.010 -4.401 259 2HB PRO 34 1HB PRO 34 -15.418 -3.373 -3.543 260 1HG PRO 34 2HG PRO 34 -13.329 -1.462 -2.592 261 2HG PRO 34 1HG PRO 34 -14.547 -2.348 -1.660 262 1HD PRO 34 2HD PRO 34 -11.830 -3.046 -1.851 263 2HD PRO 34 1HD PRO 34 -13.131 -4.120 -1.297 264 H GLU 35 H GLU 35 -14.139 -3.259 -6.855 265 HA GLU 35 HA GLU 35 -11.584 -2.794 -8.019 266 1HB GLU 35 2HB GLU 35 -14.383 -1.961 -8.768 267 2HB GLU 35 1HB GLU 35 -12.998 -1.427 -9.720 268 1HG GLU 35 2HG GLU 35 -13.448 -3.400 -10.828 269 2HG GLU 35 1HG GLU 35 -12.379 -4.028 -9.574 270 H SER 36 H SER 36 -13.696 -0.660 -6.174 271 HA SER 36 HA SER 36 -12.545 1.848 -6.912 272 1HB SER 36 2HB SER 36 -14.409 0.874 -4.942 273 2HB SER 36 1HB SER 36 -13.274 1.977 -4.171 274 HG SER 36 HG SER 36 -14.964 3.160 -5.049 275 H THR 37 H THR 37 -11.591 -0.554 -4.460 276 HA THR 37 HA THR 37 -9.585 1.021 -3.163 277 HB THR 37 HB THR 37 -9.698 -1.990 -3.553 278 HG1 THR 37 HG1 THR 37 -10.606 -0.300 -1.459 279 1HG2 THR 37 1HG2 THR 37 -8.168 -2.149 -1.709 280 2HG2 THR 37 2HG2 THR 37 -8.266 -0.415 -1.399 281 3HG2 THR 37 3HG2 THR 37 -7.464 -1.008 -2.854 282 HA PRO 38 HA PRO 38 -6.702 1.122 -6.558 283 1HB PRO 38 2HB PRO 38 -4.843 2.668 -5.253 284 2HB PRO 38 1HB PRO 38 -6.315 3.318 -5.995 285 1HG PRO 38 2HG PRO 38 -5.697 2.892 -3.108 286 2HG PRO 38 1HG PRO 38 -6.801 4.056 -3.861 287 1HD PRO 38 2HD PRO 38 -7.549 1.636 -2.597 288 2HD PRO 38 1HD PRO 38 -8.588 2.641 -3.630 289 H PHE 39 H PHE 39 -4.409 0.470 -6.920 290 HA PHE 39 HA PHE 39 -3.715 -1.940 -5.510 291 1HB PHE 39 2HB PHE 39 -3.080 -1.117 -7.939 292 2HB PHE 39 1HB PHE 39 -1.676 -0.434 -7.117 293 HD1 PHE 39 HD1 PHE 39 -3.674 -3.624 -7.052 294 HD2 PHE 39 HD2 PHE 39 0.213 -1.793 -7.011 295 HE1 PHE 39 HE1 PHE 39 -2.617 -5.866 -6.995 296 HE2 PHE 39 HE2 PHE 39 1.267 -4.035 -6.955 297 HZ PHE 39 HZ PHE 39 -0.147 -6.072 -6.947 298 H THR 40 H THR 40 -3.087 1.394 -4.827 299 HA THR 40 HA THR 40 -0.601 1.200 -3.430 300 HB THR 40 HB THR 40 -1.638 3.159 -2.046 301 HG1 THR 40 HG1 THR 40 -3.619 3.643 -2.486 302 1HG2 THR 40 1HG2 THR 40 -1.548 3.550 -5.038 303 2HG2 THR 40 2HG2 THR 40 -0.094 3.287 -4.075 304 3HG2 THR 40 3HG2 THR 40 -1.104 4.701 -3.777 305 H ALA 41 H ALA 41 -3.971 0.817 -2.318 306 HA ALA 41 HA ALA 41 -3.210 0.088 0.394 307 1HB ALA 41 1HB ALA 41 -5.534 -0.268 0.769 308 2HB ALA 41 2HB ALA 41 -5.847 -0.548 -0.944 309 3HB ALA 41 3HB ALA 41 -5.458 1.074 -0.371 310 H VAL 42 H VAL 42 -4.054 -1.686 -2.578 311 HA VAL 42 HA VAL 42 -4.203 -4.304 -1.439 312 HB VAL 42 HB VAL 42 -3.285 -3.459 -4.209 313 1HG1 VAL 42 1HG1 VAL 42 -3.453 -6.061 -2.897 314 2HG1 VAL 42 2HG1 VAL 42 -2.749 -5.640 -4.457 315 3HG1 VAL 42 3HG1 VAL 42 -4.473 -5.982 -4.332 316 1HG2 VAL 42 1HG2 VAL 42 -5.882 -4.671 -4.120 317 2HG2 VAL 42 2HG2 VAL 42 -5.463 -3.027 -4.603 318 3HG2 VAL 42 3HG2 VAL 42 -5.834 -3.382 -2.916 319 H LEU 43 H LEU 43 -1.434 -2.623 -2.968 320 HA LEU 43 HA LEU 43 0.516 -4.647 -2.397 321 1HB LEU 43 2HB LEU 43 0.681 -2.590 -3.979 322 2HB LEU 43 1HB LEU 43 1.146 -1.695 -2.534 323 HG LEU 43 HG LEU 43 2.588 -4.230 -2.781 324 1HD1 LEU 43 1HD1 LEU 43 2.369 -3.797 -5.180 325 2HD1 LEU 43 2HD1 LEU 43 4.024 -3.465 -4.669 326 3HD1 LEU 43 3HD1 LEU 43 2.905 -2.133 -4.953 327 1HD2 LEU 43 1HD2 LEU 43 3.123 -1.338 -2.224 328 2HD2 LEU 43 2HD2 LEU 43 4.483 -2.344 -2.721 329 3HD2 LEU 43 3HD2 LEU 43 3.559 -2.760 -1.277 330 H LYS 44 H LYS 44 -0.756 -1.929 -0.539 331 HA LYS 44 HA LYS 44 1.166 -1.825 1.554 332 1HB LYS 44 2HB LYS 44 -0.910 -0.304 1.020 333 2HB LYS 44 1HB LYS 44 -1.768 -1.420 2.080 334 1HG LYS 44 2HG LYS 44 -0.942 -0.344 3.868 335 2HG LYS 44 1HG LYS 44 0.694 -0.755 3.351 336 1HD LYS 44 2HD LYS 44 0.205 1.271 1.643 337 2HD LYS 44 1HD LYS 44 -0.832 1.773 2.979 338 1HE LYS 44 2HE LYS 44 1.274 2.762 3.450 339 2HE LYS 44 1HE LYS 44 1.203 1.344 4.495 340 1HZ LYS 44 1HZ LYS 44 3.290 1.239 3.495 341 2HZ LYS 44 2HZ LYS 44 2.698 1.694 1.969 342 3HZ LYS 44 3HZ LYS 44 2.359 0.150 2.589 343 H PHE 45 H PHE 45 -1.934 -3.621 1.409 344 HA PHE 45 HA PHE 45 -1.576 -4.987 3.907 345 1HB PHE 45 2HB PHE 45 -3.353 -5.311 1.525 346 2HB PHE 45 1HB PHE 45 -3.236 -6.657 2.659 347 HD1 PHE 45 HD1 PHE 45 -3.544 -6.118 5.176 348 HD2 PHE 45 HD2 PHE 45 -4.741 -3.470 2.012 349 HE1 PHE 45 HE1 PHE 45 -5.061 -4.934 6.740 350 HE2 PHE 45 HE2 PHE 45 -6.258 -2.287 3.577 351 HZ PHE 45 HZ PHE 45 -6.418 -3.018 5.941 352 H ALA 46 H ALA 46 -0.768 -5.888 0.552 353 HA ALA 46 HA ALA 46 0.068 -8.565 1.080 354 1HB ALA 46 1HB ALA 46 1.092 -6.618 -1.011 355 2HB ALA 46 2HB ALA 46 -0.277 -7.713 -1.204 356 3HB ALA 46 3HB ALA 46 1.354 -8.362 -1.028 357 H ALA 47 H ALA 47 1.955 -5.523 0.989 358 HA ALA 47 HA ALA 47 4.458 -6.729 1.728 359 1HB ALA 47 1HB ALA 47 5.297 -4.566 1.788 360 2HB ALA 47 2HB ALA 47 3.821 -3.901 2.486 361 3HB ALA 47 3HB ALA 47 3.874 -4.324 0.776 362 H GLU 48 H GLU 48 1.747 -5.452 3.621 363 HA GLU 48 HA GLU 48 3.004 -5.328 6.178 364 1HB GLU 48 2HB GLU 48 0.205 -5.567 5.179 365 2HB GLU 48 1HB GLU 48 0.486 -6.020 6.860 366 1HG GLU 48 2HG GLU 48 1.299 -3.871 7.425 367 2HG GLU 48 1HG GLU 48 1.543 -3.425 5.737 368 H GLU 49 H GLU 49 1.160 -7.988 4.657 369 HA GLU 49 HA GLU 49 1.635 -9.873 6.789 370 1HB GLU 49 2HB GLU 49 -0.217 -10.011 5.081 371 2HB GLU 49 1HB GLU 49 0.994 -10.470 3.886 372 1HG GLU 49 2HG GLU 49 1.268 -12.075 6.290 373 2HG GLU 49 1HG GLU 49 -0.370 -12.187 5.647 374 H PHE 50 H PHE 50 3.416 -9.006 3.859 375 HA PHE 50 HA PHE 50 5.233 -11.296 4.045 376 1HB PHE 50 2HB PHE 50 4.904 -8.933 2.258 377 2HB PHE 50 1HB PHE 50 6.507 -9.662 2.343 378 HD1 PHE 50 HD1 PHE 50 2.918 -10.382 1.644 379 HD2 PHE 50 HD2 PHE 50 6.969 -11.761 1.323 380 HE1 PHE 50 HE1 PHE 50 2.179 -12.209 0.148 381 HE2 PHE 50 HE2 PHE 50 6.222 -13.591 -0.170 382 HZ PHE 50 HZ PHE 50 3.828 -13.815 -0.759 383 H LYS 51 H LYS 51 4.999 -8.445 5.827 384 HA LYS 51 HA LYS 51 6.450 -7.419 7.347 385 1HB LYS 51 2HB LYS 51 7.420 -10.119 7.056 386 2HB LYS 51 1HB LYS 51 8.789 -9.024 7.245 387 1HG LYS 51 2HG LYS 51 8.344 -8.796 9.436 388 2HG LYS 51 1HG LYS 51 6.713 -8.230 9.075 389 1HD LYS 51 2HD LYS 51 6.945 -11.103 8.664 390 2HD LYS 51 1HD LYS 51 7.409 -10.653 10.306 391 1HE LYS 51 2HE LYS 51 5.182 -10.662 10.736 392 2HE LYS 51 1HE LYS 51 5.176 -9.107 9.907 393 1HZ LYS 51 1HZ LYS 51 5.009 -10.681 7.812 394 2HZ LYS 51 2HZ LYS 51 3.625 -10.203 8.683 395 3HZ LYS 51 3HZ LYS 51 4.308 -11.733 8.943 396 H VAL 52 H VAL 52 6.483 -6.626 4.572 397 HA VAL 52 HA VAL 52 9.277 -5.576 4.403 398 HB VAL 52 HB VAL 52 9.055 -5.669 1.900 399 1HG1 VAL 52 1HG1 VAL 52 10.327 -7.488 2.275 400 2HG1 VAL 52 2HG1 VAL 52 8.852 -8.449 2.188 401 3HG1 VAL 52 3HG1 VAL 52 9.442 -7.879 3.749 402 1HG2 VAL 52 1HG2 VAL 52 7.171 -7.714 1.566 403 2HG2 VAL 52 2HG2 VAL 52 6.983 -6.029 1.079 404 3HG2 VAL 52 3HG2 VAL 52 6.383 -6.565 2.647 405 HA PRO 53 HA PRO 53 7.332 -1.657 3.998 406 1HB PRO 53 2HB PRO 53 9.281 -0.317 2.596 407 2HB PRO 53 1HB PRO 53 9.405 -0.717 4.317 408 1HG PRO 53 2HG PRO 53 10.783 -1.981 1.992 409 2HG PRO 53 1HG PRO 53 11.302 -1.878 3.682 410 1HD PRO 53 2HD PRO 53 10.166 -4.149 2.437 411 2HD PRO 53 1HD PRO 53 10.372 -3.912 4.186 412 H ALA 54 H ALA 54 5.730 -1.021 2.630 413 HA ALA 54 HA ALA 54 5.467 -2.057 -0.049 414 1HB ALA 54 1HB ALA 54 3.531 -1.424 1.385 415 2HB ALA 54 2HB ALA 54 3.482 -0.633 -0.191 416 3HB ALA 54 3HB ALA 54 4.002 0.268 1.232 417 H ALA 55 H ALA 55 6.609 1.033 1.266 418 HA ALA 55 HA ALA 55 6.721 2.480 -1.201 419 1HB ALA 55 1HB ALA 55 8.296 3.965 -0.024 420 2HB ALA 55 2HB ALA 55 8.478 2.767 1.257 421 3HB ALA 55 3HB ALA 55 6.925 3.565 1.012 422 H THR 56 H THR 56 8.968 0.193 0.315 423 HA THR 56 HA THR 56 10.831 0.560 -1.994 424 HB THR 56 HB THR 56 11.492 -0.985 0.513 425 HG1 THR 56 HG1 THR 56 11.821 0.808 1.577 426 1HG2 THR 56 1HG2 THR 56 12.941 -1.031 -1.573 427 2HG2 THR 56 2HG2 THR 56 13.756 -0.496 -0.104 428 3HG2 THR 56 3HG2 THR 56 13.239 0.687 -1.306 429 H SER 57 H SER 57 8.332 -0.976 -2.182 430 HA SER 57 HA SER 57 9.513 -3.534 -3.085 431 1HB SER 57 2HB SER 57 7.353 -3.310 -0.989 432 2HB SER 57 1HB SER 57 7.500 -4.740 -2.003 433 HG SER 57 HG SER 57 8.785 -4.310 0.177 434 H ALA 58 H ALA 58 8.251 -4.571 -4.692 435 HA ALA 58 HA ALA 58 5.852 -3.082 -5.668 436 1HB ALA 58 1HB ALA 58 8.213 -4.042 -7.314 437 2HB ALA 58 2HB ALA 58 7.699 -2.372 -7.078 438 3HB ALA 58 3HB ALA 58 6.691 -3.482 -8.006 439 H ILE 59 H ILE 59 4.647 -4.496 -7.342 440 HA ILE 59 HA ILE 59 4.876 -7.377 -6.568 441 HB ILE 59 HB ILE 59 2.468 -5.587 -6.781 442 1HG1 ILE 59 2HG1 ILE 59 3.042 -7.886 -4.898 443 2HG1 ILE 59 1HG1 ILE 59 3.666 -6.262 -4.609 444 1HG2 ILE 59 1HG2 ILE 59 1.125 -7.795 -6.732 445 2HG2 ILE 59 2HG2 ILE 59 2.588 -8.550 -7.363 446 3HG2 ILE 59 3HG2 ILE 59 1.781 -7.284 -8.287 447 1HD1 ILE 59 1HD1 ILE 59 1.637 -6.269 -3.417 448 2HD1 ILE 59 2HD1 ILE 59 0.801 -7.192 -4.667 449 3HD1 ILE 59 3HD1 ILE 59 1.202 -5.496 -4.941 450 H ILE 60 H ILE 60 5.339 -8.643 -8.298 451 HA ILE 60 HA ILE 60 4.835 -7.559 -11.024 452 HB ILE 60 HB ILE 60 6.410 -9.252 -11.813 453 1HG1 ILE 60 2HG1 ILE 60 7.333 -10.217 -9.229 454 2HG1 ILE 60 1HG1 ILE 60 5.638 -10.632 -9.484 455 1HG2 ILE 60 1HG2 ILE 60 7.259 -7.102 -10.825 456 2HG2 ILE 60 2HG2 ILE 60 8.414 -8.429 -10.730 457 3HG2 ILE 60 3HG2 ILE 60 7.499 -7.953 -9.301 458 1HD1 ILE 60 1HD1 ILE 60 6.811 -12.429 -10.471 459 2HD1 ILE 60 2HD1 ILE 60 8.022 -11.362 -11.182 460 3HD1 ILE 60 3HD1 ILE 60 6.386 -11.402 -11.841 461 H THR 61 H THR 61 4.252 -9.405 -12.682 462 HA THR 61 HA THR 61 2.085 -11.077 -11.463 463 HB THR 61 HB THR 61 1.219 -9.225 -12.869 464 HG1 THR 61 HG1 THR 61 -0.033 -11.027 -12.886 465 1HG2 THR 61 1HG2 THR 61 2.972 -10.531 -14.953 466 2HG2 THR 61 2HG2 THR 61 2.967 -8.847 -14.435 467 3HG2 THR 61 3HG2 THR 61 1.623 -9.481 -15.384 468 H ASN 62 H ASN 62 1.475 -12.941 -13.076 469 HA ASN 62 HA ASN 62 3.747 -14.681 -13.319 470 1HB ASN 62 2HB ASN 62 1.268 -15.308 -13.032 471 2HB ASN 62 1HB ASN 62 1.120 -15.052 -14.770 472 1HD2 ASN 62 1HD2 ASN 62 2.582 -17.134 -12.300 473 2HD2 ASN 62 2HD2 ASN 62 3.068 -18.358 -13.369 474 H ASP 63 H ASP 63 2.364 -12.343 -15.511 475 HA ASP 63 HA ASP 63 3.483 -13.525 -17.936 476 1HB ASP 63 2HB ASP 63 2.495 -10.693 -17.476 477 2HB ASP 63 1HB ASP 63 2.726 -11.486 -19.034 478 H GLY 64 H GLY 64 4.658 -11.384 -15.439 479 1HA GLY 64 2HA GLY 64 7.068 -11.033 -15.206 480 2HA GLY 64 1HA GLY 64 7.207 -11.092 -16.963 481 H VAL 65 H VAL 65 4.951 -9.256 -14.894 482 HA VAL 65 HA VAL 65 6.075 -6.732 -16.045 483 HB VAL 65 HB VAL 65 3.149 -7.280 -15.440 484 1HG1 VAL 65 1HG1 VAL 65 4.473 -4.870 -15.550 485 2HG1 VAL 65 2HG1 VAL 65 2.758 -5.090 -15.894 486 3HG1 VAL 65 3HG1 VAL 65 3.925 -5.061 -17.215 487 1HG2 VAL 65 1HG2 VAL 65 4.744 -7.352 -18.007 488 2HG2 VAL 65 2HG2 VAL 65 3.005 -7.060 -18.008 489 3HG2 VAL 65 3HG2 VAL 65 3.643 -8.574 -17.371 490 H GLY 66 H GLY 66 6.695 -5.303 -14.494 491 1HA GLY 66 2HA GLY 66 6.283 -5.940 -11.677 492 2HA GLY 66 1HA GLY 66 7.210 -4.580 -12.306 493 H VAL 67 H VAL 67 4.001 -5.704 -11.453 494 HA VAL 67 HA VAL 67 2.558 -3.313 -12.164 495 HB VAL 67 HB VAL 67 1.862 -5.287 -9.967 496 1HG1 VAL 67 1HG1 VAL 67 -0.436 -4.591 -10.440 497 2HG1 VAL 67 2HG1 VAL 67 0.131 -3.520 -11.721 498 3HG1 VAL 67 3HG1 VAL 67 0.543 -3.181 -10.039 499 1HG2 VAL 67 1HG2 VAL 67 1.538 -5.418 -12.965 500 2HG2 VAL 67 2HG2 VAL 67 0.441 -6.285 -11.892 501 3HG2 VAL 67 3HG2 VAL 67 2.164 -6.654 -11.874 502 H ASN 68 H ASN 68 2.433 -1.389 -11.105 503 HA ASN 68 HA ASN 68 3.767 -1.187 -8.440 504 1HB ASN 68 2HB ASN 68 4.180 1.153 -8.965 505 2HB ASN 68 1HB ASN 68 4.740 0.164 -10.311 506 1HD2 ASN 68 1HD2 ASN 68 3.507 0.248 -12.328 507 2HD2 ASN 68 2HD2 ASN 68 2.343 1.451 -12.600 508 HA PRO 69 HA PRO 69 0.002 0.027 -6.542 509 1HB PRO 69 2HB PRO 69 0.921 1.827 -4.673 510 2HB PRO 69 1HB PRO 69 1.152 0.075 -4.550 511 1HG PRO 69 2HG PRO 69 3.133 2.182 -5.260 512 2HG PRO 69 1HG PRO 69 3.402 0.582 -4.548 513 1HD PRO 69 2HD PRO 69 3.800 1.295 -7.266 514 2HD PRO 69 1HD PRO 69 3.790 -0.352 -6.602 515 H ALA 70 H ALA 70 -0.372 1.213 -8.780 516 HA ALA 70 HA ALA 70 -1.028 4.058 -8.154 517 1HB ALA 70 1HB ALA 70 0.108 3.136 -10.808 518 2HB ALA 70 2HB ALA 70 1.044 3.960 -9.561 519 3HB ALA 70 3HB ALA 70 -0.297 4.790 -10.350 520 H GLN 71 H GLN 71 -1.593 1.298 -10.360 521 HA GLN 71 HA GLN 71 -4.067 2.398 -11.420 522 1HB GLN 71 2HB GLN 71 -2.889 -0.396 -11.487 523 2HB GLN 71 1HB GLN 71 -4.361 0.069 -12.339 524 1HG GLN 71 2HG GLN 71 -3.204 1.103 -13.984 525 2HG GLN 71 1HG GLN 71 -2.150 1.923 -12.832 526 1HE2 GLN 71 1HE2 GLN 71 -0.162 0.815 -12.170 527 2HE2 GLN 71 2HE2 GLN 71 0.426 -0.524 -13.032 528 HA PRO 72 HA PRO 72 -6.893 0.999 -8.344 529 1HB PRO 72 2HB PRO 72 -9.109 0.548 -9.910 530 2HB PRO 72 1HB PRO 72 -8.529 2.164 -9.472 531 1HG PRO 72 2HG PRO 72 -8.308 0.732 -12.080 532 2HG PRO 72 1HG PRO 72 -8.351 2.473 -11.756 533 1HD PRO 72 2HD PRO 72 -6.036 0.962 -12.340 534 2HD PRO 72 1HD PRO 72 -6.063 2.608 -11.671 535 H ALA 73 H ALA 73 -8.029 -0.917 -7.567 536 HA ALA 73 HA ALA 73 -6.827 -3.408 -8.146 537 1HB ALA 73 1HB ALA 73 -8.976 -4.344 -7.030 538 2HB ALA 73 2HB ALA 73 -9.427 -2.653 -6.819 539 3HB ALA 73 3HB ALA 73 -7.951 -3.270 -6.080 540 H GLY 74 H GLY 74 -9.800 -1.976 -9.492 541 1HA GLY 74 2HA GLY 74 -10.731 -4.264 -10.913 542 2HA GLY 74 1HA GLY 74 -11.085 -2.594 -11.354 543 H ASN 75 H ASN 75 -8.561 -1.617 -11.965 544 HA ASN 75 HA ASN 75 -8.129 -2.671 -14.615 545 1HB ASN 75 2HB ASN 75 -7.691 -0.293 -13.876 546 2HB ASN 75 1HB ASN 75 -6.263 -0.884 -13.026 547 1HD2 ASN 75 1HD2 ASN 75 -7.717 -0.634 -16.297 548 2HD2 ASN 75 2HD2 ASN 75 -6.242 -0.740 -17.129 549 H ILE 76 H ILE 76 -6.391 -3.054 -11.529 550 HA ILE 76 HA ILE 76 -4.108 -4.445 -12.535 551 HB ILE 76 HB ILE 76 -5.494 -4.671 -9.842 552 1HG1 ILE 76 2HG1 ILE 76 -4.684 -2.393 -10.450 553 2HG1 ILE 76 1HG1 ILE 76 -3.790 -3.075 -9.096 554 1HG2 ILE 76 1HG2 ILE 76 -3.252 -5.499 -9.073 555 2HG2 ILE 76 2HG2 ILE 76 -2.753 -5.590 -10.761 556 3HG2 ILE 76 3HG2 ILE 76 -4.068 -6.607 -10.174 557 1HD1 ILE 76 1HD1 ILE 76 -2.102 -3.899 -10.870 558 2HD1 ILE 76 2HD1 ILE 76 -2.115 -2.175 -10.508 559 3HD1 ILE 76 3HD1 ILE 76 -2.904 -2.775 -11.967 560 H PHE 77 H PHE 77 -7.246 -5.672 -11.339 561 HA PHE 77 HA PHE 77 -6.599 -8.457 -11.801 562 1HB PHE 77 2HB PHE 77 -8.432 -7.426 -10.270 563 2HB PHE 77 1HB PHE 77 -9.403 -7.346 -11.739 564 HD1 PHE 77 HD1 PHE 77 -7.788 -9.574 -9.293 565 HD2 PHE 77 HD2 PHE 77 -10.136 -9.382 -12.886 566 HE1 PHE 77 HE1 PHE 77 -8.349 -11.978 -9.057 567 HE2 PHE 77 HE2 PHE 77 -10.695 -11.786 -12.648 568 HZ PHE 77 HZ PHE 77 -9.803 -13.083 -10.734 569 H LEU 78 H LEU 78 -8.228 -5.938 -13.700 570 HA LEU 78 HA LEU 78 -9.186 -7.622 -15.812 571 1HB LEU 78 2HB LEU 78 -8.954 -4.768 -15.275 572 2HB LEU 78 1HB LEU 78 -8.606 -5.134 -16.962 573 HG LEU 78 HG LEU 78 -11.025 -4.692 -16.553 574 1HD1 LEU 78 1HD1 LEU 78 -10.148 -6.265 -18.355 575 2HD1 LEU 78 2HD1 LEU 78 -11.825 -6.523 -17.876 576 3HD1 LEU 78 3HD1 LEU 78 -10.562 -7.596 -17.275 577 1HD2 LEU 78 1HD2 LEU 78 -11.385 -5.514 -14.347 578 2HD2 LEU 78 2HD2 LEU 78 -10.694 -7.090 -14.736 579 3HD2 LEU 78 3HD2 LEU 78 -12.263 -6.628 -15.394 580 H LYS 79 H LYS 79 -6.108 -5.874 -15.382 581 HA LYS 79 HA LYS 79 -5.128 -6.752 -18.004 582 1HB LYS 79 2HB LYS 79 -4.553 -4.582 -16.530 583 2HB LYS 79 1HB LYS 79 -3.258 -5.643 -15.972 584 1HG LYS 79 2HG LYS 79 -3.227 -6.070 -18.695 585 2HG LYS 79 1HG LYS 79 -3.625 -4.355 -18.591 586 1HD LYS 79 2HD LYS 79 -1.483 -5.259 -16.761 587 2HD LYS 79 1HD LYS 79 -1.080 -5.329 -18.476 588 1HE LYS 79 2HE LYS 79 -1.495 -3.004 -18.776 589 2HE LYS 79 1HE LYS 79 -2.318 -2.874 -17.223 590 1HZ LYS 79 1HZ LYS 79 -0.243 -2.045 -16.747 591 2HZ LYS 79 2HZ LYS 79 0.559 -3.123 -17.786 592 3HZ LYS 79 3HZ LYS 79 -0.052 -3.670 -16.298 593 H HIS 80 H HIS 80 -4.051 -7.323 -14.621 594 HA HIS 80 HA HIS 80 -2.541 -9.694 -15.581 595 1HB HIS 80 2HB HIS 80 -2.574 -8.434 -12.822 596 2HB HIS 80 1HB HIS 80 -1.439 -9.646 -13.412 597 HD1 HIS 80 HD1 HIS 80 -0.176 -8.782 -15.784 598 HD2 HIS 80 HD2 HIS 80 -1.572 -5.884 -13.132 599 HE1 HIS 80 HE1 HIS 80 1.047 -6.639 -16.355 600 H GLY 81 H GLY 81 -4.644 -8.983 -12.749 601 1HA GLY 81 2HA GLY 81 -6.722 -10.426 -12.566 602 2HA GLY 81 1HA GLY 81 -5.681 -11.783 -12.990 603 H SER 82 H SER 82 -5.472 -13.006 -11.180 604 HA SER 82 HA SER 82 -5.090 -11.636 -8.556 605 1HB SER 82 2HB SER 82 -6.889 -13.500 -9.051 606 2HB SER 82 1HB SER 82 -5.525 -14.594 -8.836 607 HG SER 82 HG SER 82 -6.529 -14.228 -6.854 608 H GLU 83 H GLU 83 -3.627 -14.038 -10.733 609 HA GLU 83 HA GLU 83 -1.538 -14.931 -9.029 610 1HB GLU 83 2HB GLU 83 -2.278 -15.281 -11.741 611 2HB GLU 83 1HB GLU 83 -0.601 -14.735 -11.751 612 1HG GLU 83 2HG GLU 83 -1.679 -17.037 -10.092 613 2HG GLU 83 1HG GLU 83 -0.751 -17.204 -11.582 614 H LEU 84 H LEU 84 -0.289 -13.489 -7.935 615 HA LEU 84 HA LEU 84 1.317 -11.552 -9.527 616 1HB LEU 84 2HB LEU 84 -0.277 -10.889 -7.031 617 2HB LEU 84 1HB LEU 84 0.971 -9.843 -7.707 618 HG LEU 84 HG LEU 84 -1.264 -10.817 -9.465 619 1HD1 LEU 84 1HD1 LEU 84 -2.657 -8.958 -8.825 620 2HD1 LEU 84 2HD1 LEU 84 -1.410 -8.325 -7.749 621 3HD1 LEU 84 3HD1 LEU 84 -2.239 -9.830 -7.352 622 1HD2 LEU 84 1HD2 LEU 84 0.984 -9.285 -9.899 623 2HD2 LEU 84 2HD2 LEU 84 -0.248 -8.053 -9.628 624 3HD2 LEU 84 3HD2 LEU 84 -0.462 -9.248 -10.907 625 H ARG 85 H ARG 85 3.176 -10.690 -8.149 626 HA ARG 85 HA ARG 85 3.989 -12.568 -5.984 627 1HB ARG 85 2HB ARG 85 5.142 -12.409 -8.640 628 2HB ARG 85 1HB ARG 85 6.341 -11.995 -7.415 629 1HG ARG 85 2HG ARG 85 6.281 -14.085 -6.444 630 2HG ARG 85 1HG ARG 85 4.595 -14.358 -6.884 631 1HD ARG 85 2HD ARG 85 5.529 -14.360 -9.341 632 2HD ARG 85 1HD ARG 85 7.067 -14.711 -8.554 633 HE ARG 85 HE ARG 85 6.188 -16.832 -7.853 634 1HH1 ARG 85 2HH1 ARG 85 4.958 -16.388 -10.691 635 2HH1 ARG 85 1HH1 ARG 85 3.352 -16.972 -10.412 636 1HH2 ARG 85 1HH2 ARG 85 3.643 -16.922 -6.953 637 2HH2 ARG 85 2HH2 ARG 85 2.606 -17.277 -8.294 638 H LEU 86 H LEU 86 5.734 -11.670 -4.623 639 HA LEU 86 HA LEU 86 5.677 -8.683 -4.636 640 1HB LEU 86 2HB LEU 86 4.924 -10.258 -2.607 641 2HB LEU 86 1HB LEU 86 6.652 -10.206 -2.259 642 HG LEU 86 HG LEU 86 5.455 -7.593 -2.945 643 1HD1 LEU 86 1HD1 LEU 86 4.154 -9.295 -1.013 644 2HD1 LEU 86 2HD1 LEU 86 3.734 -7.654 -1.499 645 3HD1 LEU 86 3HD1 LEU 86 4.886 -7.918 -0.190 646 1HD2 LEU 86 1HD2 LEU 86 7.780 -7.854 -2.182 647 2HD2 LEU 86 2HD2 LEU 86 7.218 -8.604 -0.688 648 3HD2 LEU 86 3HD2 LEU 86 6.857 -6.908 -1.012 649 H ILE 87 H ILE 87 7.527 -7.617 -5.053 650 HA ILE 87 HA ILE 87 10.129 -9.067 -4.762 651 HB ILE 87 HB ILE 87 10.910 -7.745 -6.773 652 1HG1 ILE 87 2HG1 ILE 87 8.026 -7.375 -7.513 653 2HG1 ILE 87 1HG1 ILE 87 8.781 -6.184 -6.453 654 1HG2 ILE 87 1HG2 ILE 87 10.421 -9.553 -8.040 655 2HG2 ILE 87 2HG2 ILE 87 8.684 -9.280 -7.906 656 3HG2 ILE 87 3HG2 ILE 87 9.541 -10.148 -6.633 657 1HD1 ILE 87 1HD1 ILE 87 10.098 -5.354 -8.113 658 2HD1 ILE 87 2HD1 ILE 87 8.905 -6.092 -9.180 659 3HD1 ILE 87 3HD1 ILE 87 10.400 -6.947 -8.804 660 HA PRO 88 HA PRO 88 11.388 -5.488 -2.518 661 1HB PRO 88 2HB PRO 88 14.111 -5.700 -2.859 662 2HB PRO 88 1HB PRO 88 13.173 -6.750 -1.783 663 1HG PRO 88 2HG PRO 88 14.364 -7.376 -4.442 664 2HG PRO 88 1HG PRO 88 13.979 -8.465 -3.099 665 1HD PRO 88 2HD PRO 88 12.443 -8.111 -5.460 666 2HD PRO 88 1HD PRO 88 11.932 -8.969 -3.991 667 H ARG 89 H ARG 89 10.389 -4.547 -4.871 668 HA ARG 89 HA ARG 89 10.493 -2.722 -6.329 669 1HB ARG 89 2HB ARG 89 11.948 -1.931 -4.152 670 2HB ARG 89 1HB ARG 89 13.149 -1.786 -5.435 671 1HG ARG 89 2HG ARG 89 12.157 0.282 -5.650 672 2HG ARG 89 1HG ARG 89 11.086 -0.641 -6.703 673 1HD ARG 89 2HD ARG 89 9.674 -1.081 -4.597 674 2HD ARG 89 1HD ARG 89 10.615 0.207 -3.845 675 HE ARG 89 HE ARG 89 9.786 1.647 -5.817 676 1HH1 ARG 89 2HH1 ARG 89 8.198 -0.337 -7.271 677 2HH1 ARG 89 1HH1 ARG 89 6.606 -0.141 -6.616 678 1HH2 ARG 89 1HH2 ARG 89 7.693 1.584 -3.801 679 2HH2 ARG 89 2HH2 ARG 89 6.320 0.951 -4.645 680 H ASP 90 H ASP 90 11.875 -1.804 -8.151 681 HA ASP 90 HA ASP 90 13.265 -2.087 -10.014 682 1HB ASP 90 2HB ASP 90 14.934 -2.679 -8.048 683 2HB ASP 90 1HB ASP 90 14.758 -4.318 -8.675 684 H ARG 91 H ARG 91 13.454 -3.517 -11.839 685 HA ARG 91 HA ARG 91 11.369 -5.560 -11.928 686 1HB ARG 91 2HB ARG 91 11.873 -4.050 -13.857 687 2HB ARG 91 1HB ARG 91 13.441 -4.837 -14.027 688 1HG ARG 91 2HG ARG 91 12.010 -5.934 -15.589 689 2HG ARG 91 1HG ARG 91 12.151 -7.041 -14.224 690 1HD ARG 91 2HD ARG 91 10.017 -6.016 -13.306 691 2HD ARG 91 1HD ARG 91 9.848 -5.175 -14.847 692 HE ARG 91 HE ARG 91 9.354 -7.268 -15.897 693 1HH1 ARG 91 1HH2 ARG 91 7.943 -7.662 -13.209 694 2HH1 ARG 91 2HH2 ARG 91 8.456 -9.264 -12.798 695 1HH2 ARG 91 2HH1 ARG 91 11.047 -9.314 -15.112 696 2HH2 ARG 91 1HH1 ARG 91 10.218 -10.201 -13.877 697 H VAL 92 H VAL 92 11.903 -7.366 -10.739 698 HA VAL 92 HA VAL 92 14.301 -8.890 -11.637 699 HB VAL 92 HB VAL 92 14.668 -9.575 -9.222 700 1HG1 VAL 92 1HG1 VAL 92 16.016 -7.833 -10.460 701 2HG1 VAL 92 2HG1 VAL 92 15.992 -7.627 -8.709 702 3HG1 VAL 92 3HG1 VAL 92 14.982 -6.604 -9.731 703 1HG2 VAL 92 1HG2 VAL 92 12.895 -7.166 -8.686 704 2HG2 VAL 92 2HG2 VAL 92 13.744 -8.125 -7.475 705 3HG2 VAL 92 3HG2 VAL 92 12.427 -8.842 -8.400 706 H GLY 93 H GLY 93 13.953 -11.098 -11.776 707 1HA GLY 93 2HA GLY 93 11.169 -12.010 -11.588 708 2HA GLY 93 1HA GLY 93 12.531 -12.950 -12.199 709 H HIS 94 HN HIS 94 14.181 -13.572 -10.437 710 HA HIS 94 HA HIS 94 12.669 -14.701 -8.153 711 1HB HIS 94 2HB HIS 94 14.343 -16.001 -9.663 712 2HB HIS 94 1HB HIS 94 15.592 -15.190 -8.719 713 HD1 HIS 94 HD1 HIS 94 12.647 -17.540 -8.296 714 HD2 HIS 94 HD2 HIS 94 15.970 -16.234 -6.145 715 HE1 HIS 94 HE1 HIS 94 12.775 -18.990 -6.225 Start of MODEL 22 1 1H MET 1 1H MET 1 -28.268 -6.098 -8.859 2 2H MET 1 2H MET 1 -27.053 -4.911 -8.912 3 3H MET 1 3H MET 1 -27.435 -5.675 -7.441 4 HA MET 1 HA MET 1 -26.588 -7.759 -8.219 5 1HB MET 1 2HB MET 1 -27.336 -7.218 -10.626 6 2HB MET 1 1HB MET 1 -25.799 -6.363 -10.779 7 1HG MET 1 2HG MET 1 -24.695 -8.523 -9.929 8 2HG MET 1 1HG MET 1 -26.249 -9.302 -10.234 9 1HE MET 1 1HE MET 1 -27.569 -8.758 -12.593 10 2HE MET 1 2HE MET 1 -26.857 -10.338 -12.266 11 3HE MET 1 3HE MET 1 -26.683 -9.616 -13.863 12 H SER 2 H SER 2 -24.406 -8.215 -7.793 13 HA SER 2 HA SER 2 -22.750 -5.850 -7.111 14 1HB SER 2 2HB SER 2 -23.272 -8.048 -5.656 15 2HB SER 2 1HB SER 2 -21.846 -8.628 -6.516 16 HG SER 2 HG SER 2 -21.640 -7.363 -4.423 17 H GLY 3 H GLY 3 -22.549 -8.903 -8.961 18 1HA GLY 3 2HA GLY 3 -20.089 -7.860 -10.307 19 2HA GLY 3 1HA GLY 3 -20.527 -9.564 -10.204 20 H GLY 4 H GLY 4 -21.487 -6.470 -11.695 21 1HA GLY 4 2HA GLY 4 -22.443 -7.997 -14.058 22 2HA GLY 4 1HA GLY 4 -23.576 -6.879 -13.299 23 H THR 5 H THR 5 -22.529 -4.593 -12.915 24 HA THR 5 HA THR 5 -21.292 -3.790 -15.503 25 HB THR 5 HB THR 5 -22.496 -1.966 -13.401 26 HG1 THR 5 HG1 THR 5 -24.093 -3.374 -14.110 27 1HG2 THR 5 1HG2 THR 5 -22.791 -1.028 -16.065 28 2HG2 THR 5 2HG2 THR 5 -21.119 -1.562 -15.889 29 3HG2 THR 5 3HG2 THR 5 -21.780 -0.351 -14.789 30 H ALA 6 H ALA 6 -20.475 -4.210 -12.176 31 HA ALA 6 HA ALA 6 -18.257 -2.259 -12.244 32 1HB ALA 6 1HB ALA 6 -17.839 -3.614 -9.952 33 2HB ALA 6 2HB ALA 6 -19.544 -3.997 -10.188 34 3HB ALA 6 3HB ALA 6 -19.026 -2.314 -10.071 35 H ALA 7 H ALA 7 -16.761 -3.011 -13.744 36 HA ALA 7 HA ALA 7 -14.942 -4.261 -14.524 37 1HB ALA 7 1HB ALA 7 -14.153 -4.482 -12.241 38 2HB ALA 7 2HB ALA 7 -14.005 -6.049 -13.034 39 3HB ALA 7 3HB ALA 7 -15.328 -5.752 -11.908 40 H THR 8 H THR 8 -15.160 -5.609 -16.206 41 HA THR 8 HA THR 8 -17.510 -7.230 -16.534 42 HB THR 8 HB THR 8 -16.346 -8.018 -18.625 43 HG1 THR 8 HG1 THR 8 -14.295 -7.688 -18.790 44 1HG2 THR 8 1HG2 THR 8 -17.589 -5.683 -18.112 45 2HG2 THR 8 2HG2 THR 8 -16.921 -6.077 -19.696 46 3HG2 THR 8 3HG2 THR 8 -16.005 -5.064 -18.578 47 H THR 9 H THR 9 -14.144 -8.086 -15.664 48 HA THR 9 HA THR 9 -15.040 -10.927 -15.461 49 HB THR 9 HB THR 9 -12.523 -11.363 -15.216 50 HG1 THR 9 HG1 THR 9 -11.209 -9.740 -15.483 51 1HG2 THR 9 1HG2 THR 9 -12.270 -10.713 -17.796 52 2HG2 THR 9 2HG2 THR 9 -14.009 -10.468 -17.641 53 3HG2 THR 9 3HG2 THR 9 -13.304 -12.042 -17.267 54 H ALA 10 H ALA 10 -14.146 -8.223 -13.461 55 HA ALA 10 HA ALA 10 -13.343 -9.858 -11.168 56 1HB ALA 10 1HB ALA 10 -14.274 -6.993 -11.019 57 2HB ALA 10 2HB ALA 10 -12.676 -7.407 -11.638 58 3HB ALA 10 3HB ALA 10 -13.119 -7.829 -9.985 59 H GLY 11 H GLY 11 -16.166 -7.715 -11.756 60 1HA GLY 11 2HA GLY 11 -18.453 -8.401 -11.358 61 2HA GLY 11 1HA GLY 11 -17.860 -9.671 -10.289 62 H SER 12 H SER 12 -18.182 -9.264 -8.154 63 HA SER 12 HA SER 12 -18.990 -6.608 -7.270 64 1HB SER 12 2HB SER 12 -19.092 -7.687 -5.008 65 2HB SER 12 1HB SER 12 -20.038 -8.524 -6.234 66 HG SER 12 HG SER 12 -18.699 -9.908 -4.923 67 H LYS 13 H LYS 13 -16.274 -8.741 -6.250 68 HA LYS 13 HA LYS 13 -14.652 -6.262 -5.825 69 1HB LYS 13 2HB LYS 13 -14.534 -8.721 -4.052 70 2HB LYS 13 1HB LYS 13 -13.700 -7.189 -3.805 71 1HG LYS 13 2HG LYS 13 -16.274 -6.319 -3.983 72 2HG LYS 13 1HG LYS 13 -16.522 -7.909 -3.260 73 1HD LYS 13 2HD LYS 13 -14.340 -6.217 -2.128 74 2HD LYS 13 1HD LYS 13 -15.999 -5.745 -1.768 75 1HE LYS 13 2HE LYS 13 -16.456 -7.714 -0.610 76 2HE LYS 13 1HE LYS 13 -15.188 -8.617 -1.443 77 1HZ LYS 13 1HZ LYS 13 -13.581 -7.082 -0.283 78 2HZ LYS 13 2HZ LYS 13 -14.380 -8.209 0.707 79 3HZ LYS 13 3HZ LYS 13 -14.882 -6.586 0.689 80 H VAL 14 H VAL 14 -12.266 -6.752 -5.821 81 HA VAL 14 HA VAL 14 -11.644 -8.921 -7.788 82 HB VAL 14 HB VAL 14 -9.521 -7.488 -8.160 83 1HG1 VAL 14 1HG1 VAL 14 -10.778 -5.919 -9.665 84 2HG1 VAL 14 2HG1 VAL 14 -12.275 -6.494 -8.932 85 3HG1 VAL 14 3HG1 VAL 14 -11.253 -7.608 -9.840 86 1HG2 VAL 14 1HG2 VAL 14 -9.886 -6.087 -6.105 87 2HG2 VAL 14 2HG2 VAL 14 -11.299 -5.382 -6.889 88 3HG2 VAL 14 3HG2 VAL 14 -9.695 -5.135 -7.577 89 H THR 15 H THR 15 -10.557 -10.626 -6.941 90 HA THR 15 HA THR 15 -9.084 -10.270 -4.374 91 HB THR 15 HB THR 15 -9.806 -12.838 -5.832 92 HG1 THR 15 HG1 THR 15 -11.702 -12.482 -5.041 93 1HG2 THR 15 1HG2 THR 15 -7.953 -13.194 -4.337 94 2HG2 THR 15 2HG2 THR 15 -9.398 -13.802 -3.529 95 3HG2 THR 15 3HG2 THR 15 -8.724 -12.240 -3.069 96 H PHE 16 H PHE 16 -6.867 -10.415 -4.307 97 HA PHE 16 HA PHE 16 -5.470 -11.132 -6.859 98 1HB PHE 16 2HB PHE 16 -4.515 -9.207 -4.724 99 2HB PHE 16 1HB PHE 16 -3.751 -9.518 -6.278 100 HD1 PHE 16 HD1 PHE 16 -5.152 -9.060 -8.406 101 HD2 PHE 16 HD2 PHE 16 -6.157 -7.525 -4.523 102 HE1 PHE 16 HE1 PHE 16 -6.576 -7.328 -9.460 103 HE2 PHE 16 HE2 PHE 16 -7.581 -5.791 -5.579 104 HZ PHE 16 HZ PHE 16 -7.790 -5.695 -8.047 105 H LYS 17 H LYS 17 -3.894 -12.651 -6.751 106 HA LYS 17 HA LYS 17 -3.209 -13.774 -4.065 107 1HB LYS 17 2HB LYS 17 -4.167 -15.065 -6.333 108 2HB LYS 17 1HB LYS 17 -2.431 -15.362 -6.410 109 1HG LYS 17 2HG LYS 17 -2.580 -16.037 -3.945 110 2HG LYS 17 1HG LYS 17 -4.332 -16.051 -4.162 111 1HD LYS 17 2HD LYS 17 -4.059 -17.653 -6.051 112 2HD LYS 17 1HD LYS 17 -2.323 -17.690 -5.736 113 1HE LYS 17 2HE LYS 17 -3.601 -18.139 -3.245 114 2HE LYS 17 1HE LYS 17 -4.413 -19.170 -4.421 115 1HZ LYS 17 1HZ LYS 17 -2.622 -20.432 -3.706 116 2HZ LYS 17 2HZ LYS 17 -1.554 -19.110 -3.689 117 3HZ LYS 17 3HZ LYS 17 -2.066 -19.774 -5.167 118 H ILE 18 H ILE 18 -1.344 -12.738 -3.440 119 HA ILE 18 HA ILE 18 0.804 -12.355 -5.480 120 HB ILE 18 HB ILE 18 0.538 -11.063 -2.748 121 1HG1 ILE 18 2HG1 ILE 18 0.202 -9.196 -4.871 122 2HG1 ILE 18 1HG1 ILE 18 -0.880 -10.546 -5.204 123 1HG2 ILE 18 1HG2 ILE 18 2.130 -9.411 -3.950 124 2HG2 ILE 18 2HG2 ILE 18 2.390 -10.723 -5.101 125 3HG2 ILE 18 3HG2 ILE 18 2.799 -10.948 -3.402 126 1HD1 ILE 18 1HD1 ILE 18 -0.941 -9.873 -2.386 127 2HD1 ILE 18 2HD1 ILE 18 -2.270 -9.924 -3.545 128 3HD1 ILE 18 3HD1 ILE 18 -1.309 -8.456 -3.371 129 H THR 19 H THR 19 2.609 -13.584 -5.337 130 HA THR 19 HA THR 19 3.133 -15.075 -2.791 131 HB THR 19 HB THR 19 4.213 -16.805 -4.192 132 HG1 THR 19 HG1 THR 19 4.470 -16.531 -6.283 133 1HG2 THR 19 1HG2 THR 19 2.243 -17.841 -4.771 134 2HG2 THR 19 2HG2 THR 19 1.592 -16.402 -5.553 135 3HG2 THR 19 3HG2 THR 19 1.584 -16.530 -3.796 136 H LEU 20 H LEU 20 5.212 -14.897 -1.914 137 HA LEU 20 HA LEU 20 6.896 -12.727 -2.816 138 1HB LEU 20 2HB LEU 20 6.687 -14.249 -0.480 139 2HB LEU 20 1HB LEU 20 8.267 -14.681 -1.129 140 HG LEU 20 HG LEU 20 8.446 -12.731 0.364 141 1HD1 LEU 20 1HD1 LEU 20 9.959 -11.658 -0.972 142 2HD1 LEU 20 2HD1 LEU 20 8.805 -11.440 -2.284 143 3HD1 LEU 20 3HD1 LEU 20 9.610 -12.992 -2.070 144 1HD2 LEU 20 1HD2 LEU 20 7.253 -10.698 -1.234 145 2HD2 LEU 20 2HD2 LEU 20 6.798 -11.200 0.393 146 3HD2 LEU 20 3HD2 LEU 20 6.040 -11.959 -1.006 147 H THR 21 H THR 21 8.400 -12.774 -4.401 148 HA THR 21 HA THR 21 8.999 -15.312 -5.751 149 HB THR 21 HB THR 21 10.294 -13.810 -7.322 150 HG1 THR 21 HG1 THR 21 10.681 -11.869 -6.671 151 1HG2 THR 21 1HG2 THR 21 8.280 -13.963 -8.323 152 2HG2 THR 21 2HG2 THR 21 7.920 -12.388 -7.614 153 3HG2 THR 21 3HG2 THR 21 7.427 -13.864 -6.782 154 H SER 22 H SER 22 10.884 -12.820 -3.989 155 HA SER 22 HA SER 22 13.409 -14.170 -4.343 156 1HB SER 22 2HB SER 22 12.413 -11.862 -2.776 157 2HB SER 22 1HB SER 22 13.837 -12.671 -2.124 158 HG SER 22 HG SER 22 13.579 -11.085 -4.316 159 H ASP 23 H ASP 23 11.095 -14.102 -1.602 160 HA ASP 23 HA ASP 23 12.705 -16.225 -0.282 161 1HB ASP 23 2HB ASP 23 11.462 -14.000 0.754 162 2HB ASP 23 1HB ASP 23 10.288 -15.269 1.100 163 HA PRO 24 HA PRO 24 9.633 -19.039 -1.959 164 1HB PRO 24 2HB PRO 24 11.127 -21.287 -1.436 165 2HB PRO 24 1HB PRO 24 11.370 -20.256 -2.856 166 1HG PRO 24 2HG PRO 24 13.025 -20.466 -0.384 167 2HG PRO 24 1HG PRO 24 13.510 -19.999 -2.022 168 1HD PRO 24 2HD PRO 24 13.048 -18.228 0.133 169 2HD PRO 24 1HD PRO 24 13.190 -17.774 -1.579 170 H LYS 25 H LYS 25 11.223 -19.186 1.210 171 HA LYS 25 HA LYS 25 9.524 -21.167 2.411 172 1HB LYS 25 2HB LYS 25 11.785 -20.023 3.221 173 2HB LYS 25 1HB LYS 25 10.671 -18.929 4.040 174 1HG LYS 25 2HG LYS 25 9.560 -21.364 4.632 175 2HG LYS 25 1HG LYS 25 11.279 -21.763 4.606 176 1HD LYS 25 2HD LYS 25 11.317 -20.957 6.729 177 2HD LYS 25 1HD LYS 25 11.247 -19.365 5.975 178 1HE LYS 25 2HE LYS 25 8.631 -20.710 6.251 179 2HE LYS 25 1HE LYS 25 9.402 -20.278 7.776 180 1HZ LYS 25 1HZ LYS 25 9.641 -18.019 6.992 181 2HZ LYS 25 2HZ LYS 25 8.010 -18.487 6.909 182 3HZ LYS 25 3HZ LYS 25 8.954 -18.427 5.497 183 H LEU 26 H LEU 26 9.267 -17.630 2.102 184 HA LEU 26 HA LEU 26 7.034 -17.267 3.853 185 1HB LEU 26 2HB LEU 26 8.401 -15.702 1.750 186 2HB LEU 26 1HB LEU 26 6.705 -15.287 1.995 187 HG LEU 26 HG LEU 26 7.973 -15.646 4.557 188 1HD1 LEU 26 1HD1 LEU 26 10.083 -14.983 3.926 189 2HD1 LEU 26 2HD1 LEU 26 9.350 -13.387 4.095 190 3HD1 LEU 26 3HD1 LEU 26 9.499 -14.124 2.500 191 1HD2 LEU 26 1HD2 LEU 26 6.137 -13.926 3.216 192 2HD2 LEU 26 2HD2 LEU 26 7.378 -12.907 3.950 193 3HD2 LEU 26 3HD2 LEU 26 6.457 -14.033 4.947 194 HA PRO 27 HA PRO 27 3.892 -19.181 1.372 195 1HB PRO 27 2HB PRO 27 1.788 -18.466 2.993 196 2HB PRO 27 1HB PRO 27 2.899 -19.799 3.351 197 1HG PRO 27 2HG PRO 27 2.747 -17.097 4.599 198 2HG PRO 27 1HG PRO 27 3.359 -18.614 5.277 199 1HD PRO 27 2HD PRO 27 4.935 -16.491 4.261 200 2HD PRO 27 1HD PRO 27 5.506 -18.128 4.645 201 H PHE 28 H PHE 28 1.963 -18.542 0.133 202 HA PHE 28 HA PHE 28 2.169 -15.893 -1.002 203 1HB PHE 28 2HB PHE 28 0.275 -16.546 -2.405 204 2HB PHE 28 1HB PHE 28 1.438 -17.865 -2.318 205 HD1 PHE 28 HD1 PHE 28 0.915 -19.939 -1.160 206 HD2 PHE 28 HD2 PHE 28 -1.880 -16.676 -1.206 207 HE1 PHE 28 HE1 PHE 28 -0.865 -21.451 -0.332 208 HE2 PHE 28 HE2 PHE 28 -3.658 -18.190 -0.375 209 HZ PHE 28 HZ PHE 28 -3.151 -20.577 0.061 210 H LYS 29 H LYS 29 0.318 -14.356 -1.150 211 HA LYS 29 HA LYS 29 -1.365 -14.327 1.327 212 1HB LYS 29 2HB LYS 29 0.663 -12.440 0.462 213 2HB LYS 29 1HB LYS 29 -0.913 -11.653 0.556 214 1HG LYS 29 2HG LYS 29 -0.352 -11.439 2.766 215 2HG LYS 29 1HG LYS 29 -0.976 -13.088 2.854 216 1HD LYS 29 2HD LYS 29 1.520 -13.683 2.118 217 2HD LYS 29 1HD LYS 29 1.857 -12.130 2.885 218 1HE LYS 29 2HE LYS 29 1.049 -12.855 4.981 219 2HE LYS 29 1HE LYS 29 0.179 -14.217 4.273 220 1HZ LYS 29 1HZ LYS 29 2.685 -14.771 3.528 221 2HZ LYS 29 2HZ LYS 29 1.972 -15.345 4.960 222 3HZ LYS 29 3HZ LYS 29 2.974 -13.973 5.002 223 H VAL 30 H VAL 30 -3.507 -14.040 0.914 224 HA VAL 30 HA VAL 30 -4.313 -13.256 -1.855 225 HB VAL 30 HB VAL 30 -5.944 -14.657 0.291 226 1HG1 VAL 30 1HG1 VAL 30 -7.386 -15.212 -1.725 227 2HG1 VAL 30 2HG1 VAL 30 -6.441 -14.031 -2.632 228 3HG1 VAL 30 3HG1 VAL 30 -7.400 -13.514 -1.244 229 1HG2 VAL 30 1HG2 VAL 30 -4.190 -16.151 -0.392 230 2HG2 VAL 30 2HG2 VAL 30 -4.384 -15.704 -2.086 231 3HG2 VAL 30 3HG2 VAL 30 -5.636 -16.642 -1.274 232 H LEU 31 H LEU 31 -5.160 -11.253 -2.104 233 HA LEU 31 HA LEU 31 -6.252 -9.864 0.313 234 1HB LEU 31 2HB LEU 31 -4.320 -9.054 -1.687 235 2HB LEU 31 1HB LEU 31 -5.699 -7.956 -1.696 236 HG LEU 31 HG LEU 31 -4.994 -8.575 1.029 237 1HD1 LEU 31 1HD1 LEU 31 -2.752 -7.582 1.088 238 2HD1 LEU 31 2HD1 LEU 31 -2.759 -7.421 -0.668 239 3HD1 LEU 31 3HD1 LEU 31 -2.746 -9.024 0.070 240 1HD2 LEU 31 1HD2 LEU 31 -4.920 -6.160 1.209 241 2HD2 LEU 31 2HD2 LEU 31 -6.232 -6.577 0.106 242 3HD2 LEU 31 3HD2 LEU 31 -4.696 -5.992 -0.533 243 H SER 32 H SER 32 -8.440 -9.785 0.234 244 HA SER 32 HA SER 32 -9.782 -9.665 -2.430 245 1HB SER 32 2HB SER 32 -11.841 -10.310 -1.114 246 2HB SER 32 1HB SER 32 -10.566 -11.522 -1.103 247 HG SER 32 HG SER 32 -11.081 -11.318 0.992 248 H VAL 33 H VAL 33 -10.068 -7.560 -3.002 249 HA VAL 33 HA VAL 33 -11.392 -5.747 -1.026 250 HB VAL 33 HB VAL 33 -10.006 -3.865 -2.016 251 1HG1 VAL 33 1HG1 VAL 33 -7.846 -5.365 -0.891 252 2HG1 VAL 33 2HG1 VAL 33 -9.326 -5.809 -0.041 253 3HG1 VAL 33 3HG1 VAL 33 -8.831 -4.119 -0.122 254 1HG2 VAL 33 1HG2 VAL 33 -8.042 -5.960 -2.891 255 2HG2 VAL 33 2HG2 VAL 33 -8.203 -4.287 -3.425 256 3HG2 VAL 33 3HG2 VAL 33 -9.346 -5.505 -3.989 257 HA PRO 34 HA PRO 34 -14.094 -4.808 -4.369 258 1HB PRO 34 2HB PRO 34 -14.768 -2.211 -3.749 259 2HB PRO 34 1HB PRO 34 -15.395 -3.625 -2.885 260 1HG PRO 34 2HG PRO 34 -13.306 -1.670 -2.026 261 2HG PRO 34 1HG PRO 34 -14.421 -2.629 -1.037 262 1HD PRO 34 2HD PRO 34 -11.701 -3.219 -1.454 263 2HD PRO 34 1HD PRO 34 -12.918 -4.353 -0.831 264 H GLU 35 H GLU 35 -14.370 -3.340 -6.271 265 HA GLU 35 HA GLU 35 -11.915 -2.752 -7.591 266 1HB GLU 35 2HB GLU 35 -14.798 -2.118 -8.114 267 2HB GLU 35 1HB GLU 35 -13.564 -1.296 -9.070 268 1HG GLU 35 2HG GLU 35 -13.842 -3.181 -10.375 269 2HG GLU 35 1HG GLU 35 -12.595 -3.775 -9.280 270 H SER 36 H SER 36 -13.984 -0.752 -5.550 271 HA SER 36 HA SER 36 -12.974 1.819 -6.245 272 1HB SER 36 2HB SER 36 -14.592 0.672 -4.138 273 2HB SER 36 1HB SER 36 -13.456 1.835 -3.462 274 HG SER 36 HG SER 36 -15.503 2.705 -4.260 275 H THR 37 H THR 37 -11.747 -0.640 -3.982 276 HA THR 37 HA THR 37 -9.670 0.956 -2.818 277 HB THR 37 HB THR 37 -9.777 -2.049 -3.240 278 HG1 THR 37 HG1 THR 37 -10.645 -0.341 -1.154 279 1HG2 THR 37 1HG2 THR 37 -7.534 -1.529 -2.687 280 2HG2 THR 37 2HG2 THR 37 -8.278 -1.952 -1.145 281 3HG2 THR 37 3HG2 THR 37 -8.019 -0.258 -1.563 282 HA PRO 38 HA PRO 38 -7.071 1.108 -6.438 283 1HB PRO 38 2HB PRO 38 -5.139 2.687 -5.287 284 2HB PRO 38 1HB PRO 38 -6.679 3.313 -5.903 285 1HG PRO 38 2HG PRO 38 -5.818 2.901 -3.079 286 2HG PRO 38 1HG PRO 38 -7.004 4.041 -3.736 287 1HD PRO 38 2HD PRO 38 -7.589 1.598 -2.421 288 2HD PRO 38 1HD PRO 38 -8.735 2.590 -3.348 289 H PHE 39 H PHE 39 -4.867 0.406 -7.009 290 HA PHE 39 HA PHE 39 -3.998 -1.952 -5.624 291 1HB PHE 39 2HB PHE 39 -3.608 -1.246 -8.103 292 2HB PHE 39 1HB PHE 39 -2.203 -0.387 -7.472 293 HD1 PHE 39 HD1 PHE 39 -3.822 -3.715 -6.779 294 HD2 PHE 39 HD2 PHE 39 -0.222 -1.578 -7.745 295 HE1 PHE 39 HE1 PHE 39 -2.544 -5.839 -6.721 296 HE2 PHE 39 HE2 PHE 39 1.054 -3.703 -7.687 297 HZ PHE 39 HZ PHE 39 -0.108 -5.832 -7.175 298 H THR 40 H THR 40 -3.290 1.417 -5.130 299 HA THR 40 HA THR 40 -0.710 1.231 -3.922 300 HB THR 40 HB THR 40 -1.419 3.333 -2.690 301 HG1 THR 40 HG1 THR 40 -3.481 3.579 -2.505 302 1HG2 THR 40 1HG2 THR 40 -2.196 4.312 -5.179 303 2HG2 THR 40 2HG2 THR 40 -1.247 2.876 -5.565 304 3HG2 THR 40 3HG2 THR 40 -0.539 4.165 -4.591 305 H ALA 41 H ALA 41 -3.987 0.938 -2.539 306 HA ALA 41 HA ALA 41 -3.023 0.393 0.153 307 1HB ALA 41 1HB ALA 41 -5.376 -0.164 0.631 308 2HB ALA 41 2HB ALA 41 -5.741 -0.131 -1.094 309 3HB ALA 41 3HB ALA 41 -5.268 1.352 -0.264 310 H VAL 42 H VAL 42 -4.088 -1.572 -2.619 311 HA VAL 42 HA VAL 42 -4.122 -4.114 -1.308 312 HB VAL 42 HB VAL 42 -3.460 -3.443 -4.198 313 1HG1 VAL 42 1HG1 VAL 42 -4.217 -5.819 -4.586 314 2HG1 VAL 42 2HG1 VAL 42 -4.184 -6.053 -2.837 315 3HG1 VAL 42 3HG1 VAL 42 -2.695 -5.683 -3.705 316 1HG2 VAL 42 1HG2 VAL 42 -6.048 -4.190 -2.799 317 2HG2 VAL 42 2HG2 VAL 42 -5.856 -4.117 -4.550 318 3HG2 VAL 42 3HG2 VAL 42 -5.679 -2.654 -3.583 319 H LEU 43 H LEU 43 -1.511 -2.459 -3.109 320 HA LEU 43 HA LEU 43 0.488 -4.472 -2.702 321 1HB LEU 43 2HB LEU 43 0.545 -2.507 -4.344 322 2HB LEU 43 1HB LEU 43 1.020 -1.503 -2.974 323 HG LEU 43 HG LEU 43 2.570 -3.995 -3.197 324 1HD1 LEU 43 1HD1 LEU 43 3.954 -3.048 -5.099 325 2HD1 LEU 43 2HD1 LEU 43 2.633 -1.919 -5.403 326 3HD1 LEU 43 3HD1 LEU 43 2.365 -3.653 -5.570 327 1HD2 LEU 43 1HD2 LEU 43 3.030 -2.011 -1.696 328 2HD2 LEU 43 2HD2 LEU 43 3.432 -1.086 -3.142 329 3HD2 LEU 43 3HD2 LEU 43 4.400 -2.492 -2.698 330 H LYS 44 H LYS 44 -0.544 -1.696 -0.750 331 HA LYS 44 HA LYS 44 1.616 -1.757 1.141 332 1HB LYS 44 2HB LYS 44 -1.156 -0.621 1.091 333 2HB LYS 44 1HB LYS 44 -0.321 -0.724 2.641 334 1HG LYS 44 2HG LYS 44 1.672 0.391 1.416 335 2HG LYS 44 1HG LYS 44 0.492 0.807 0.173 336 1HD LYS 44 2HD LYS 44 -0.821 2.082 1.708 337 2HD LYS 44 1HD LYS 44 0.056 1.439 3.097 338 1HE LYS 44 2HE LYS 44 2.155 2.483 1.956 339 2HE LYS 44 1HE LYS 44 0.983 3.442 1.051 340 1HZ LYS 44 1HZ LYS 44 1.942 4.001 3.542 341 2HZ LYS 44 2HZ LYS 44 0.395 3.368 3.850 342 3HZ LYS 44 3HZ LYS 44 0.579 4.705 2.817 343 H PHE 45 H PHE 45 -1.682 -3.159 1.297 344 HA PHE 45 HA PHE 45 -1.346 -4.479 3.806 345 1HB PHE 45 2HB PHE 45 -3.217 -4.699 1.498 346 2HB PHE 45 1HB PHE 45 -3.139 -6.082 2.587 347 HD1 PHE 45 HD1 PHE 45 -3.590 -5.777 5.035 348 HD2 PHE 45 HD2 PHE 45 -4.224 -2.629 2.176 349 HE1 PHE 45 HE1 PHE 45 -4.998 -4.565 6.676 350 HE2 PHE 45 HE2 PHE 45 -5.630 -1.421 3.821 351 HZ PHE 45 HZ PHE 45 -6.016 -2.390 6.068 352 H ALA 46 H ALA 46 -0.793 -5.625 0.463 353 HA ALA 46 HA ALA 46 -0.072 -8.306 1.119 354 1HB ALA 46 1HB ALA 46 0.917 -8.409 -1.087 355 2HB ALA 46 2HB ALA 46 1.049 -6.652 -1.162 356 3HB ALA 46 3HB ALA 46 -0.538 -7.420 -1.197 357 H ALA 47 H ALA 47 1.951 -5.376 0.758 358 HA ALA 47 HA ALA 47 4.450 -6.670 1.339 359 1HB ALA 47 1HB ALA 47 4.897 -4.611 0.441 360 2HB ALA 47 2HB ALA 47 4.912 -4.123 2.134 361 3HB ALA 47 3HB ALA 47 3.464 -3.873 1.159 362 H GLU 48 H GLU 48 2.116 -4.929 3.418 363 HA GLU 48 HA GLU 48 3.613 -5.077 5.842 364 1HB GLU 48 2HB GLU 48 0.807 -4.552 5.085 365 2HB GLU 48 1HB GLU 48 1.008 -5.232 6.698 366 1HG GLU 48 2HG GLU 48 1.204 -2.921 7.081 367 2HG GLU 48 1HG GLU 48 2.884 -3.446 6.972 368 H GLU 49 H GLU 49 1.204 -7.330 4.457 369 HA GLU 49 HA GLU 49 1.387 -9.236 6.629 370 1HB GLU 49 2HB GLU 49 0.193 -9.199 3.889 371 2HB GLU 49 1HB GLU 49 0.485 -10.773 4.628 372 1HG GLU 49 2HG GLU 49 -1.570 -10.419 5.560 373 2HG GLU 49 1HG GLU 49 -0.646 -9.471 6.726 374 H PHE 50 H PHE 50 3.246 -8.662 3.710 375 HA PHE 50 HA PHE 50 4.609 -11.263 3.819 376 1HB PHE 50 2HB PHE 50 4.568 -8.913 2.009 377 2HB PHE 50 1HB PHE 50 6.090 -9.796 2.087 378 HD1 PHE 50 HD1 PHE 50 5.579 -12.524 2.278 379 HD2 PHE 50 HD2 PHE 50 3.188 -9.587 0.255 380 HE1 PHE 50 HE1 PHE 50 4.638 -14.294 0.823 381 HE2 PHE 50 HE2 PHE 50 2.245 -11.358 -1.200 382 HZ PHE 50 HZ PHE 50 2.971 -13.712 -0.917 383 H LYS 51 H LYS 51 4.866 -8.625 5.760 384 HA LYS 51 HA LYS 51 6.504 -7.858 7.231 385 1HB LYS 51 2HB LYS 51 7.794 -10.447 6.331 386 2HB LYS 51 1HB LYS 51 8.521 -9.394 7.544 387 1HG LYS 51 2HG LYS 51 6.954 -9.910 9.130 388 2HG LYS 51 1HG LYS 51 5.653 -10.048 7.947 389 1HD LYS 51 2HD LYS 51 7.364 -12.148 7.290 390 2HD LYS 51 1HD LYS 51 7.372 -12.135 9.053 391 1HE LYS 51 2HE LYS 51 5.108 -12.596 9.210 392 2HE LYS 51 1HE LYS 51 4.743 -11.852 7.654 393 1HZ LYS 51 1HZ LYS 51 6.447 -14.233 7.678 394 2HZ LYS 51 2HZ LYS 51 5.325 -13.711 6.514 395 3HZ LYS 51 3HZ LYS 51 4.786 -14.442 7.948 396 H VAL 52 H VAL 52 6.463 -6.832 4.552 397 HA VAL 52 HA VAL 52 9.328 -6.031 4.299 398 HB VAL 52 HB VAL 52 8.969 -5.932 1.795 399 1HG1 VAL 52 1HG1 VAL 52 10.147 -7.810 2.986 400 2HG1 VAL 52 2HG1 VAL 52 9.398 -8.288 1.462 401 3HG1 VAL 52 3HG1 VAL 52 8.620 -8.694 2.992 402 1HG2 VAL 52 1HG2 VAL 52 6.411 -6.023 2.082 403 2HG2 VAL 52 2HG2 VAL 52 6.617 -7.758 2.321 404 3HG2 VAL 52 3HG2 VAL 52 7.102 -7.013 0.798 405 HA PRO 53 HA PRO 53 7.703 -1.951 4.248 406 1HB PRO 53 2HB PRO 53 9.670 -0.678 2.810 407 2HB PRO 53 1HB PRO 53 9.850 -1.192 4.495 408 1HG PRO 53 2HG PRO 53 10.998 -2.413 2.026 409 2HG PRO 53 1HG PRO 53 11.616 -2.452 3.685 410 1HD PRO 53 2HD PRO 53 10.246 -4.555 2.390 411 2HD PRO 53 1HD PRO 53 10.549 -4.431 4.136 412 H ALA 54 H ALA 54 6.031 -1.219 3.048 413 HA ALA 54 HA ALA 54 5.622 -1.955 0.280 414 1HB ALA 54 1HB ALA 54 4.200 -0.162 2.232 415 2HB ALA 54 2HB ALA 54 3.623 -1.635 1.454 416 3HB ALA 54 3HB ALA 54 3.749 -0.141 0.527 417 H ALA 55 H ALA 55 6.981 0.878 1.878 418 HA ALA 55 HA ALA 55 6.833 2.741 -0.270 419 1HB ALA 55 1HB ALA 55 7.716 2.920 2.256 420 2HB ALA 55 2HB ALA 55 8.211 4.067 1.011 421 3HB ALA 55 3HB ALA 55 9.272 2.727 1.447 422 H THR 56 H THR 56 9.269 0.242 0.476 423 HA THR 56 HA THR 56 10.516 0.796 -2.188 424 HB THR 56 HB THR 56 12.523 -0.417 -1.214 425 HG1 THR 56 HG1 THR 56 12.288 -1.274 0.668 426 1HG2 THR 56 1HG2 THR 56 13.311 1.523 -0.006 427 2HG2 THR 56 2HG2 THR 56 11.658 2.045 0.321 428 3HG2 THR 56 3HG2 THR 56 12.284 2.080 -1.328 429 H SER 57 H SER 57 8.152 -0.768 -2.013 430 HA SER 57 HA SER 57 9.234 -3.464 -2.728 431 1HB SER 57 2HB SER 57 7.014 -2.733 -0.906 432 2HB SER 57 1HB SER 57 6.695 -4.066 -2.007 433 HG SER 57 HG SER 57 7.696 -4.665 0.024 434 H ALA 58 H ALA 58 8.021 -4.579 -4.365 435 HA ALA 58 HA ALA 58 6.084 -2.955 -5.933 436 1HB ALA 58 1HB ALA 58 7.446 -2.703 -7.721 437 2HB ALA 58 2HB ALA 58 7.919 -4.401 -7.675 438 3HB ALA 58 3HB ALA 58 8.774 -3.222 -6.681 439 H ILE 59 H ILE 59 4.904 -4.355 -7.541 440 HA ILE 59 HA ILE 59 4.916 -7.224 -6.684 441 HB ILE 59 HB ILE 59 2.609 -5.335 -7.138 442 1HG1 ILE 59 2HG1 ILE 59 3.108 -7.464 -5.035 443 2HG1 ILE 59 1HG1 ILE 59 3.597 -5.779 -4.852 444 1HG2 ILE 59 1HG2 ILE 59 1.555 -7.920 -6.750 445 2HG2 ILE 59 2HG2 ILE 59 2.764 -8.096 -8.020 446 3HG2 ILE 59 3HG2 ILE 59 1.447 -6.942 -8.213 447 1HD1 ILE 59 1HD1 ILE 59 0.796 -6.888 -5.092 448 2HD1 ILE 59 2HD1 ILE 59 1.151 -5.178 -5.336 449 3HD1 ILE 59 3HD1 ILE 59 1.480 -5.933 -3.776 450 H ILE 60 H ILE 60 5.711 -8.376 -8.364 451 HA ILE 60 HA ILE 60 5.165 -7.454 -11.139 452 HB ILE 60 HB ILE 60 6.913 -9.050 -11.817 453 1HG1 ILE 60 2HG1 ILE 60 7.949 -9.698 -9.192 454 2HG1 ILE 60 1HG1 ILE 60 6.293 -10.284 -9.347 455 1HG2 ILE 60 1HG2 ILE 60 8.611 -7.996 -9.856 456 2HG2 ILE 60 2HG2 ILE 60 7.298 -6.825 -9.986 457 3HG2 ILE 60 3HG2 ILE 60 8.229 -7.268 -11.416 458 1HD1 ILE 60 1HD1 ILE 60 8.623 -10.877 -11.190 459 2HD1 ILE 60 2HD1 ILE 60 6.952 -11.299 -11.566 460 3HD1 ILE 60 3HD1 ILE 60 7.751 -12.022 -10.171 461 H THR 61 H THR 61 4.938 -9.542 -12.691 462 HA THR 61 HA THR 61 2.777 -11.220 -11.471 463 HB THR 61 HB THR 61 1.823 -11.370 -13.756 464 HG1 THR 61 HG1 THR 61 2.902 -10.645 -15.396 465 1HG2 THR 61 1HG2 THR 61 0.809 -9.254 -13.710 466 2HG2 THR 61 2HG2 THR 61 2.275 -8.460 -13.140 467 3HG2 THR 61 3HG2 THR 61 1.341 -9.479 -12.045 468 H ASN 62 H ASN 62 2.534 -13.398 -12.459 469 HA ASN 62 HA ASN 62 4.981 -14.873 -12.444 470 1HB ASN 62 2HB ASN 62 2.376 -15.556 -12.206 471 2HB ASN 62 1HB ASN 62 2.651 -16.037 -13.879 472 1HD2 ASN 62 1HD2 ASN 62 2.197 -17.868 -11.614 473 2HD2 ASN 62 2HD2 ASN 62 3.587 -18.830 -11.480 474 H ASP 63 H ASP 63 3.296 -13.222 -15.025 475 HA ASP 63 HA ASP 63 4.622 -14.678 -17.187 476 1HB ASP 63 2HB ASP 63 3.332 -11.952 -17.420 477 2HB ASP 63 1HB ASP 63 3.501 -13.187 -18.666 478 H GLY 64 H GLY 64 5.040 -11.533 -15.556 479 1HA GLY 64 2HA GLY 64 7.552 -11.022 -15.245 480 2HA GLY 64 1HA GLY 64 7.639 -11.198 -16.996 481 H VAL 65 H VAL 65 5.331 -9.541 -14.815 482 HA VAL 65 HA VAL 65 5.880 -7.006 -16.305 483 HB VAL 65 HB VAL 65 3.166 -7.972 -15.332 484 1HG1 VAL 65 1HG1 VAL 65 3.414 -5.526 -15.272 485 2HG1 VAL 65 2HG1 VAL 65 2.332 -6.000 -16.580 486 3HG1 VAL 65 3HG1 VAL 65 3.995 -5.533 -16.938 487 1HG2 VAL 65 1HG2 VAL 65 2.967 -7.667 -18.041 488 2HG2 VAL 65 2HG2 VAL 65 3.292 -9.209 -17.248 489 3HG2 VAL 65 3HG2 VAL 65 4.625 -8.251 -17.894 490 H GLY 66 H GLY 66 6.699 -5.554 -14.885 491 1HA GLY 66 2HA GLY 66 6.462 -5.923 -12.004 492 2HA GLY 66 1HA GLY 66 7.303 -4.603 -12.814 493 H VAL 67 H VAL 67 4.152 -5.742 -11.734 494 HA VAL 67 HA VAL 67 2.709 -3.341 -12.496 495 HB VAL 67 HB VAL 67 1.958 -5.396 -10.391 496 1HG1 VAL 67 1HG1 VAL 67 -0.131 -4.114 -12.007 497 2HG1 VAL 67 2HG1 VAL 67 0.767 -2.977 -11.003 498 3HG1 VAL 67 3HG1 VAL 67 -0.048 -4.353 -10.262 499 1HG2 VAL 67 1HG2 VAL 67 1.616 -5.348 -13.396 500 2HG2 VAL 67 2HG2 VAL 67 0.560 -6.305 -12.356 501 3HG2 VAL 67 3HG2 VAL 67 2.292 -6.635 -12.396 502 H ASN 68 H ASN 68 2.536 -1.451 -11.389 503 HA ASN 68 HA ASN 68 3.737 -1.317 -8.649 504 1HB ASN 68 2HB ASN 68 3.802 0.547 -10.997 505 2HB ASN 68 1HB ASN 68 3.869 1.233 -9.376 506 1HD2 ASN 68 1HD2 ASN 68 6.020 0.903 -11.575 507 2HD2 ASN 68 2HD2 ASN 68 7.314 0.159 -10.768 508 HA PRO 69 HA PRO 69 -0.072 0.264 -7.113 509 1HB PRO 69 2HB PRO 69 0.831 2.063 -5.231 510 2HB PRO 69 1HB PRO 69 0.906 0.305 -5.024 511 1HG PRO 69 2HG PRO 69 3.107 2.217 -5.638 512 2HG PRO 69 1HG PRO 69 3.182 0.641 -4.834 513 1HD PRO 69 2HD PRO 69 3.883 1.171 -7.527 514 2HD PRO 69 1HD PRO 69 3.656 -0.434 -6.801 515 H ALA 70 H ALA 70 -0.015 1.387 -9.466 516 HA ALA 70 HA ALA 70 -0.497 4.301 -9.014 517 1HB ALA 70 1HB ALA 70 1.691 3.959 -10.168 518 2HB ALA 70 2HB ALA 70 0.524 4.817 -11.174 519 3HB ALA 70 3HB ALA 70 0.845 3.107 -11.460 520 H GLN 71 H GLN 71 -2.300 1.917 -9.177 521 HA GLN 71 HA GLN 71 -4.238 3.043 -11.061 522 1HB GLN 71 2HB GLN 71 -4.547 0.833 -12.257 523 2HB GLN 71 1HB GLN 71 -3.033 1.653 -12.633 524 1HG GLN 71 2HG GLN 71 -2.603 0.012 -10.327 525 2HG GLN 71 1HG GLN 71 -3.397 -0.968 -11.559 526 1HE2 GLN 71 1HE2 GLN 71 -2.199 -1.493 -13.471 527 2HE2 GLN 71 2HE2 GLN 71 -0.578 -1.040 -13.695 528 HA PRO 72 HA PRO 72 -7.033 1.275 -8.168 529 1HB PRO 72 2HB PRO 72 -9.199 0.693 -9.761 530 2HB PRO 72 1HB PRO 72 -8.749 2.335 -9.270 531 1HG PRO 72 2HG PRO 72 -8.399 1.004 -11.918 532 2HG PRO 72 1HG PRO 72 -8.586 2.724 -11.543 533 1HD PRO 72 2HD PRO 72 -6.155 1.431 -12.156 534 2HD PRO 72 1HD PRO 72 -6.317 3.043 -11.427 535 H ALA 73 H ALA 73 -8.001 -0.727 -7.420 536 HA ALA 73 HA ALA 73 -6.638 -3.121 -8.157 537 1HB ALA 73 1HB ALA 73 -7.696 -2.807 -5.952 538 2HB ALA 73 2HB ALA 73 -8.294 -4.270 -6.730 539 3HB ALA 73 3HB ALA 73 -9.288 -2.813 -6.711 540 H GLY 74 H GLY 74 -9.780 -1.804 -9.175 541 1HA GLY 74 2HA GLY 74 -10.800 -4.071 -10.545 542 2HA GLY 74 1HA GLY 74 -11.170 -2.399 -10.969 543 H ASN 75 H ASN 75 -8.577 -1.508 -11.654 544 HA ASN 75 HA ASN 75 -8.345 -2.489 -14.361 545 1HB ASN 75 2HB ASN 75 -7.736 -0.164 -13.609 546 2HB ASN 75 1HB ASN 75 -6.331 -0.846 -12.793 547 1HD2 ASN 75 1HD2 ASN 75 -4.498 -1.399 -14.083 548 2HD2 ASN 75 2HD2 ASN 75 -4.447 -1.178 -15.766 549 H ILE 76 H ILE 76 -6.540 -3.096 -11.358 550 HA ILE 76 HA ILE 76 -4.376 -4.582 -12.490 551 HB ILE 76 HB ILE 76 -5.690 -4.805 -9.763 552 1HG1 ILE 76 2HG1 ILE 76 -4.684 -2.576 -10.449 553 2HG1 ILE 76 1HG1 ILE 76 -3.961 -3.302 -9.017 554 1HG2 ILE 76 1HG2 ILE 76 -3.142 -5.607 -9.361 555 2HG2 ILE 76 2HG2 ILE 76 -3.369 -6.191 -11.009 556 3HG2 ILE 76 3HG2 ILE 76 -4.448 -6.735 -9.725 557 1HD1 ILE 76 1HD1 ILE 76 -2.271 -2.410 -10.646 558 2HD1 ILE 76 2HD1 ILE 76 -2.838 -3.599 -11.818 559 3HD1 ILE 76 3HD1 ILE 76 -2.085 -4.133 -10.315 560 H PHE 77 H PHE 77 -7.547 -5.649 -11.231 561 HA PHE 77 HA PHE 77 -7.134 -8.450 -11.757 562 1HB PHE 77 2HB PHE 77 -8.938 -7.247 -10.290 563 2HB PHE 77 1HB PHE 77 -9.850 -7.150 -11.796 564 HD1 PHE 77 HD1 PHE 77 -8.525 -9.374 -9.196 565 HD2 PHE 77 HD2 PHE 77 -10.586 -9.198 -12.962 566 HE1 PHE 77 HE1 PHE 77 -9.232 -11.734 -8.921 567 HE2 PHE 77 HE2 PHE 77 -11.291 -11.558 -12.686 568 HZ PHE 77 HZ PHE 77 -10.615 -12.826 -10.665 569 H LEU 78 H LEU 78 -8.484 -5.777 -13.662 570 HA LEU 78 HA LEU 78 -9.455 -7.379 -15.851 571 1HB LEU 78 2HB LEU 78 -9.107 -4.536 -15.236 572 2HB LEU 78 1HB LEU 78 -8.785 -4.900 -16.929 573 HG LEU 78 HG LEU 78 -11.174 -4.352 -16.521 574 1HD1 LEU 78 1HD1 LEU 78 -11.747 -7.027 -17.227 575 2HD1 LEU 78 2HD1 LEU 78 -10.112 -6.713 -17.808 576 3HD1 LEU 78 3HD1 LEU 78 -11.444 -5.677 -18.321 577 1HD2 LEU 78 1HD2 LEU 78 -11.399 -6.975 -15.052 578 2HD2 LEU 78 2HD2 LEU 78 -12.543 -5.633 -15.098 579 3HD2 LEU 78 3HD2 LEU 78 -11.047 -5.485 -14.176 580 H LYS 79 H LYS 79 -6.332 -5.867 -15.139 581 HA LYS 79 HA LYS 79 -5.172 -6.441 -17.746 582 1HB LYS 79 2HB LYS 79 -4.505 -4.760 -15.721 583 2HB LYS 79 1HB LYS 79 -3.389 -6.088 -15.404 584 1HG LYS 79 2HG LYS 79 -2.348 -5.877 -17.504 585 2HG LYS 79 1HG LYS 79 -3.693 -4.967 -18.188 586 1HD LYS 79 2HD LYS 79 -1.546 -3.661 -17.548 587 2HD LYS 79 1HD LYS 79 -3.097 -2.989 -17.048 588 1HE LYS 79 2HE LYS 79 -2.460 -3.082 -14.885 589 2HE LYS 79 1HE LYS 79 -2.209 -4.820 -15.019 590 1HZ LYS 79 1HZ LYS 79 -0.219 -3.405 -14.384 591 2HZ LYS 79 2HZ LYS 79 -0.199 -2.888 -16.002 592 3HZ LYS 79 3HZ LYS 79 0.007 -4.533 -15.630 593 H HIS 80 H HIS 80 -4.508 -7.776 -14.474 594 HA HIS 80 HA HIS 80 -3.557 -10.282 -15.812 595 1HB HIS 80 2HB HIS 80 -2.840 -9.069 -13.126 596 2HB HIS 80 1HB HIS 80 -2.314 -10.668 -13.657 597 HD1 HIS 80 HD1 HIS 80 -0.808 -10.722 -15.879 598 HD2 HIS 80 HD2 HIS 80 -1.335 -6.958 -14.164 599 HE1 HIS 80 HE1 HIS 80 0.959 -9.218 -16.895 600 H GLY 81 H GLY 81 -5.034 -9.296 -12.682 601 1HA GLY 81 2HA GLY 81 -7.331 -10.241 -12.213 602 2HA GLY 81 1HA GLY 81 -6.722 -11.767 -12.853 603 H SER 82 H SER 82 -6.128 -13.195 -11.306 604 HA SER 82 HA SER 82 -5.457 -12.168 -8.594 605 1HB SER 82 2HB SER 82 -5.855 -14.513 -7.867 606 2HB SER 82 1HB SER 82 -7.253 -13.822 -8.683 607 HG SER 82 HG SER 82 -7.072 -15.552 -9.879 608 H GLU 83 H GLU 83 -3.909 -13.457 -11.376 609 HA GLU 83 HA GLU 83 -1.733 -14.817 -9.997 610 1HB GLU 83 2HB GLU 83 -2.372 -15.412 -12.305 611 2HB GLU 83 1HB GLU 83 -1.936 -13.793 -12.849 612 1HG GLU 83 2HG GLU 83 0.334 -14.632 -11.485 613 2HG GLU 83 1HG GLU 83 -0.213 -16.098 -12.298 614 H LEU 84 H LEU 84 -0.576 -13.506 -8.614 615 HA LEU 84 HA LEU 84 0.882 -11.219 -9.829 616 1HB LEU 84 2HB LEU 84 -0.972 -11.093 -7.463 617 2HB LEU 84 1HB LEU 84 0.423 -10.016 -7.540 618 HG LEU 84 HG LEU 84 -1.631 -10.281 -9.754 619 1HD1 LEU 84 1HD1 LEU 84 -1.344 -7.998 -7.791 620 2HD1 LEU 84 2HD1 LEU 84 -2.485 -9.320 -7.547 621 3HD1 LEU 84 3HD1 LEU 84 -2.643 -8.269 -8.954 622 1HD2 LEU 84 1HD2 LEU 84 -0.003 -7.841 -9.501 623 2HD2 LEU 84 2HD2 LEU 84 -0.349 -8.817 -10.929 624 3HD2 LEU 84 3HD2 LEU 84 0.947 -9.291 -9.832 625 H ARG 85 H ARG 85 2.679 -10.475 -8.333 626 HA ARG 85 HA ARG 85 3.621 -12.516 -6.393 627 1HB ARG 85 2HB ARG 85 4.850 -11.915 -9.045 628 2HB ARG 85 1HB ARG 85 5.948 -12.123 -7.681 629 1HG ARG 85 2HG ARG 85 5.448 -14.349 -7.438 630 2HG ARG 85 1HG ARG 85 3.776 -14.137 -7.955 631 1HD ARG 85 2HD ARG 85 4.334 -14.187 -10.231 632 2HD ARG 85 1HD ARG 85 6.019 -13.767 -9.925 633 HE ARG 85 HE ARG 85 4.830 -16.457 -9.394 634 1HH1 ARG 85 1HH2 ARG 85 6.647 -16.225 -11.701 635 2HH1 ARG 85 2HH2 ARG 85 8.188 -16.644 -11.030 636 1HH2 ARG 85 2HH1 ARG 85 7.178 -16.180 -7.737 637 2HH2 ARG 85 1HH1 ARG 85 8.489 -16.619 -8.779 638 H LEU 86 H LEU 86 4.993 -11.608 -4.796 639 HA LEU 86 HA LEU 86 5.248 -8.635 -4.930 640 1HB LEU 86 2HB LEU 86 4.093 -9.976 -2.954 641 2HB LEU 86 1HB LEU 86 5.757 -10.167 -2.408 642 HG LEU 86 HG LEU 86 5.276 -7.438 -3.267 643 1HD1 LEU 86 1HD1 LEU 86 3.495 -6.765 -1.972 644 2HD1 LEU 86 2HD1 LEU 86 3.719 -8.063 -0.798 645 3HD1 LEU 86 3HD1 LEU 86 2.952 -8.401 -2.350 646 1HD2 LEU 86 1HD2 LEU 86 5.885 -8.557 -0.515 647 2HD2 LEU 86 2HD2 LEU 86 6.259 -6.942 -1.116 648 3HD2 LEU 86 3HD2 LEU 86 7.104 -8.344 -1.773 649 H ILE 87 H ILE 87 7.227 -7.658 -4.775 650 HA ILE 87 HA ILE 87 9.617 -9.257 -4.088 651 HB ILE 87 HB ILE 87 9.509 -9.576 -6.489 652 1HG1 ILE 87 2HG1 ILE 87 11.480 -7.322 -6.050 653 2HG1 ILE 87 1HG1 ILE 87 11.718 -8.926 -5.357 654 1HG2 ILE 87 1HG2 ILE 87 9.711 -6.690 -7.148 655 2HG2 ILE 87 2HG2 ILE 87 8.129 -7.240 -6.601 656 3HG2 ILE 87 3HG2 ILE 87 8.882 -7.988 -8.006 657 1HD1 ILE 87 1HD1 ILE 87 11.120 -9.561 -7.949 658 2HD1 ILE 87 2HD1 ILE 87 12.760 -9.373 -7.330 659 3HD1 ILE 87 3HD1 ILE 87 11.973 -8.031 -8.159 660 HA PRO 88 HA PRO 88 10.281 -5.323 -2.143 661 1HB PRO 88 2HB PRO 88 12.612 -6.054 -0.873 662 2HB PRO 88 1HB PRO 88 10.995 -6.483 -0.290 663 1HG PRO 88 2HG PRO 88 13.017 -8.198 -1.656 664 2HG PRO 88 1HG PRO 88 11.741 -8.658 -0.517 665 1HD PRO 88 2HD PRO 88 11.635 -8.995 -3.319 666 2HD PRO 88 1HD PRO 88 10.250 -9.089 -2.210 667 H ARG 89 H ARG 89 10.820 -3.896 -3.788 668 HA ARG 89 HA ARG 89 13.231 -4.134 -5.394 669 1HB ARG 89 2HB ARG 89 10.853 -2.505 -5.360 670 2HB ARG 89 1HB ARG 89 12.268 -1.459 -5.454 671 1HG ARG 89 2HG ARG 89 12.773 -3.623 -7.206 672 2HG ARG 89 1HG ARG 89 11.113 -3.114 -7.512 673 1HD ARG 89 2HD ARG 89 12.046 -1.500 -8.806 674 2HD ARG 89 1HD ARG 89 12.410 -0.701 -7.277 675 HE ARG 89 HE ARG 89 14.359 -2.489 -8.679 676 1HH1 ARG 89 2HH1 ARG 89 14.688 0.418 -9.153 677 2HH1 ARG 89 1HH1 ARG 89 15.788 0.889 -7.901 678 1HH2 ARG 89 1HH2 ARG 89 15.272 -1.979 -6.001 679 2HH2 ARG 89 2HH2 ARG 89 16.120 -0.472 -6.108 680 H ASP 90 H ASP 90 15.101 -4.029 -4.180 681 HA ASP 90 HA ASP 90 15.919 -1.451 -3.136 682 1HB ASP 90 2HB ASP 90 16.466 -2.713 -0.815 683 2HB ASP 90 1HB ASP 90 14.990 -1.786 -1.065 684 H ARG 91 H ARG 91 18.190 -1.443 -2.541 685 HA ARG 91 HA ARG 91 19.781 -3.234 -4.132 686 1HB ARG 91 2HB ARG 91 20.173 -0.797 -2.737 687 2HB ARG 91 1HB ARG 91 21.362 -1.937 -2.105 688 1HG ARG 91 2HG ARG 91 22.467 -1.045 -3.968 689 2HG ARG 91 1HG ARG 91 21.765 -2.526 -4.620 690 1HD ARG 91 2HD ARG 91 19.779 -0.505 -4.844 691 2HD ARG 91 1HD ARG 91 21.288 0.189 -5.437 692 HE ARG 91 HE ARG 91 21.323 -1.459 -7.183 693 1HH1 ARG 91 2HH1 ARG 91 18.376 -0.753 -7.199 694 2HH1 ARG 91 1HH1 ARG 91 17.646 -2.324 -7.210 695 1HH2 ARG 91 1HH2 ARG 91 20.539 -3.975 -6.228 696 2HH2 ARG 91 2HH2 ARG 91 18.872 -4.148 -6.661 697 H VAL 92 H VAL 92 19.310 -2.977 -0.586 698 HA VAL 92 HA VAL 92 20.776 -5.551 -0.293 699 HB VAL 92 HB VAL 92 21.536 -3.760 1.180 700 1HG1 VAL 92 1HG1 VAL 92 19.568 -3.321 3.052 701 2HG1 VAL 92 2HG1 VAL 92 18.641 -3.376 1.555 702 3HG1 VAL 92 3HG1 VAL 92 19.961 -2.224 1.729 703 1HG2 VAL 92 1HG2 VAL 92 20.140 -5.238 3.264 704 2HG2 VAL 92 2HG2 VAL 92 21.852 -5.251 2.845 705 3HG2 VAL 92 3HG2 VAL 92 20.731 -6.316 1.999 706 H GLY 93 H GLY 93 19.723 -7.411 0.149 707 1HA GLY 93 2HA GLY 93 18.021 -8.897 0.796 708 2HA GLY 93 1HA GLY 93 17.222 -7.548 1.603 709 H HIS 94 HN HIS 94 18.075 -8.176 -1.816 710 HA HIS 94 HA HIS 94 15.616 -7.016 -2.795 711 1HB HIS 94 2HB HIS 94 18.019 -7.608 -3.938 712 2HB HIS 94 1HB HIS 94 17.035 -8.935 -4.552 713 HD1 HIS 94 HD1 HIS 94 14.357 -7.622 -5.028 714 HD2 HIS 94 HD2 HIS 94 17.956 -5.738 -5.966 715 HE1 HIS 94 HE1 HIS 94 13.819 -5.882 -6.790 Start of MODEL 23 1 1H MET 1 1H MET 1 -18.380 -18.762 -5.332 2 2H MET 1 2H MET 1 -17.338 -19.793 -6.191 3 3H MET 1 3H MET 1 -17.720 -20.128 -4.569 4 HA MET 1 HA MET 1 -19.686 -20.114 -6.796 5 1HB MET 1 2HB MET 1 -17.713 -22.021 -6.246 6 2HB MET 1 1HB MET 1 -19.175 -22.667 -5.498 7 1HG MET 1 2HG MET 1 -19.728 -23.386 -7.563 8 2HG MET 1 1HG MET 1 -20.111 -21.701 -7.908 9 1HE MET 1 1HE MET 1 -17.367 -24.432 -9.736 10 2HE MET 1 2HE MET 1 -18.399 -24.621 -8.323 11 3HE MET 1 3HE MET 1 -16.696 -24.209 -8.113 12 H SER 2 H SER 2 -21.440 -21.798 -5.952 13 HA SER 2 HA SER 2 -22.044 -21.551 -3.090 14 1HB SER 2 2HB SER 2 -23.369 -19.914 -5.188 15 2HB SER 2 1HB SER 2 -24.431 -20.667 -4.004 16 HG SER 2 HG SER 2 -22.944 -19.749 -2.399 17 H GLY 3 H GLY 3 -24.273 -22.634 -2.686 18 1HA GLY 3 2HA GLY 3 -24.305 -25.134 -4.261 19 2HA GLY 3 1HA GLY 3 -25.201 -24.839 -2.769 20 H GLY 4 H GLY 4 -26.374 -22.308 -3.691 21 1HA GLY 4 2HA GLY 4 -27.872 -22.917 -6.127 22 2HA GLY 4 1HA GLY 4 -28.826 -23.078 -4.654 23 H THR 5 H THR 5 -28.631 -21.071 -3.136 24 HA THR 5 HA THR 5 -28.525 -18.587 -4.803 25 HB THR 5 HB THR 5 -30.573 -19.225 -2.661 26 HG1 THR 5 HG1 THR 5 -31.293 -20.339 -4.315 27 1HG2 THR 5 1HG2 THR 5 -30.046 -16.825 -2.866 28 2HG2 THR 5 2HG2 THR 5 -31.668 -17.171 -3.464 29 3HG2 THR 5 3HG2 THR 5 -30.347 -16.906 -4.603 30 H ALA 6 H ALA 6 -26.979 -17.281 -4.009 31 HA ALA 6 HA ALA 6 -26.195 -17.460 -1.147 32 1HB ALA 6 1HB ALA 6 -24.976 -15.970 -3.493 33 2HB ALA 6 2HB ALA 6 -24.371 -17.463 -2.773 34 3HB ALA 6 3HB ALA 6 -24.325 -15.958 -1.854 35 H ALA 7 H ALA 7 -26.570 -15.763 0.293 36 HA ALA 7 HA ALA 7 -28.253 -13.533 -0.763 37 1HB ALA 7 1HB ALA 7 -28.129 -14.960 1.873 38 2HB ALA 7 2HB ALA 7 -29.522 -14.588 0.861 39 3HB ALA 7 3HB ALA 7 -28.762 -13.317 1.804 40 H THR 8 H THR 8 -25.436 -14.156 1.353 41 HA THR 8 HA THR 8 -25.007 -11.465 2.205 42 HB THR 8 HB THR 8 -22.595 -12.184 2.469 43 HG1 THR 8 HG1 THR 8 -22.079 -13.718 1.135 44 1HG2 THR 8 1HG2 THR 8 -24.130 -14.444 3.585 45 2HG2 THR 8 2HG2 THR 8 -24.807 -12.849 3.914 46 3HG2 THR 8 3HG2 THR 8 -23.156 -13.225 4.407 47 H THR 9 H THR 9 -24.870 -9.768 0.808 48 HA THR 9 HA THR 9 -23.253 -10.196 -1.673 49 HB THR 9 HB THR 9 -25.620 -8.344 -1.305 50 HG1 THR 9 HG1 THR 9 -26.487 -10.302 -1.469 51 1HG2 THR 9 1HG2 THR 9 -24.899 -8.981 -4.025 52 2HG2 THR 9 2HG2 THR 9 -23.498 -8.332 -3.176 53 3HG2 THR 9 3HG2 THR 9 -24.991 -7.401 -3.248 54 H ALA 10 H ALA 10 -21.623 -8.868 -2.033 55 HA ALA 10 HA ALA 10 -21.329 -6.428 -0.332 56 1HB ALA 10 1HB ALA 10 -19.147 -8.101 -1.618 57 2HB ALA 10 2HB ALA 10 -19.634 -8.225 0.073 58 3HB ALA 10 3HB ALA 10 -18.915 -6.732 -0.529 59 H GLY 11 H GLY 11 -21.201 -7.821 -3.561 60 1HA GLY 11 2HA GLY 11 -22.006 -6.087 -5.290 61 2HA GLY 11 1HA GLY 11 -20.631 -5.134 -4.726 62 H SER 12 H SER 12 -19.092 -5.238 -6.285 63 HA SER 12 HA SER 12 -18.376 -7.941 -7.357 64 1HB SER 12 2HB SER 12 -19.074 -5.482 -8.765 65 2HB SER 12 1HB SER 12 -17.473 -6.058 -9.220 66 HG SER 12 HG SER 12 -18.855 -7.154 -10.507 67 H LYS 13 H LYS 13 -16.458 -8.467 -6.400 68 HA LYS 13 HA LYS 13 -14.427 -6.289 -6.061 69 1HB LYS 13 2HB LYS 13 -14.837 -8.740 -4.323 70 2HB LYS 13 1HB LYS 13 -13.626 -7.481 -4.074 71 1HG LYS 13 2HG LYS 13 -15.733 -5.884 -4.147 72 2HG LYS 13 1HG LYS 13 -16.596 -7.354 -3.696 73 1HD LYS 13 2HD LYS 13 -14.412 -7.412 -2.011 74 2HD LYS 13 1HD LYS 13 -14.776 -5.689 -2.101 75 1HE LYS 13 2HE LYS 13 -17.144 -6.176 -1.543 76 2HE LYS 13 1HE LYS 13 -16.742 -7.888 -1.399 77 1HZ LYS 13 1HZ LYS 13 -15.434 -7.506 0.455 78 2HZ LYS 13 2HZ LYS 13 -16.757 -6.471 0.704 79 3HZ LYS 13 3HZ LYS 13 -15.279 -5.845 0.146 80 H VAL 14 H VAL 14 -12.202 -6.931 -6.265 81 HA VAL 14 HA VAL 14 -11.821 -9.329 -8.012 82 HB VAL 14 HB VAL 14 -9.731 -8.127 -8.773 83 1HG1 VAL 14 1HG1 VAL 14 -11.070 -6.302 -10.020 84 2HG1 VAL 14 2HG1 VAL 14 -12.475 -6.928 -9.156 85 3HG1 VAL 14 3HG1 VAL 14 -11.574 -7.977 -10.251 86 1HG2 VAL 14 1HG2 VAL 14 -10.971 -5.724 -7.406 87 2HG2 VAL 14 2HG2 VAL 14 -9.409 -5.813 -8.219 88 3HG2 VAL 14 3HG2 VAL 14 -9.655 -6.655 -6.691 89 H THR 15 H THR 15 -10.386 -10.896 -7.339 90 HA THR 15 HA THR 15 -9.158 -10.521 -4.652 91 HB THR 15 HB THR 15 -8.806 -13.033 -4.804 92 HG1 THR 15 HG1 THR 15 -9.113 -13.853 -6.695 93 1HG2 THR 15 1HG2 THR 15 -11.586 -13.184 -5.044 94 2HG2 THR 15 2HG2 THR 15 -11.280 -11.533 -4.500 95 3HG2 THR 15 3HG2 THR 15 -10.677 -12.897 -3.560 96 H PHE 16 H PHE 16 -6.932 -10.837 -4.307 97 HA PHE 16 HA PHE 16 -5.249 -11.121 -6.765 98 1HB PHE 16 2HB PHE 16 -4.822 -9.224 -4.438 99 2HB PHE 16 1HB PHE 16 -3.660 -9.495 -5.734 100 HD1 PHE 16 HD1 PHE 16 -6.318 -7.449 -4.669 101 HD2 PHE 16 HD2 PHE 16 -4.693 -9.289 -8.194 102 HE1 PHE 16 HE1 PHE 16 -7.498 -5.789 -6.081 103 HE2 PHE 16 HE2 PHE 16 -5.873 -7.628 -9.605 104 HZ PHE 16 HZ PHE 16 -7.274 -5.880 -8.548 105 H LYS 17 H LYS 17 -3.421 -12.384 -6.531 106 HA LYS 17 HA LYS 17 -2.972 -13.635 -3.849 107 1HB LYS 17 2HB LYS 17 -3.990 -15.065 -5.803 108 2HB LYS 17 1HB LYS 17 -2.341 -15.050 -6.432 109 1HG LYS 17 2HG LYS 17 -2.419 -15.636 -3.570 110 2HG LYS 17 1HG LYS 17 -3.341 -16.808 -4.514 111 1HD LYS 17 2HD LYS 17 -1.040 -16.436 -6.027 112 2HD LYS 17 1HD LYS 17 -0.443 -16.413 -4.366 113 1HE LYS 17 2HE LYS 17 -1.868 -18.516 -3.996 114 2HE LYS 17 1HE LYS 17 -2.014 -18.591 -5.752 115 1HZ LYS 17 1HZ LYS 17 -0.162 -19.886 -5.264 116 2HZ LYS 17 2HZ LYS 17 0.419 -18.803 -4.091 117 3HZ LYS 17 3HZ LYS 17 0.511 -18.403 -5.741 118 H ILE 18 H ILE 18 -1.184 -12.470 -3.185 119 HA ILE 18 HA ILE 18 1.054 -12.068 -5.107 120 HB ILE 18 HB ILE 18 0.693 -10.948 -2.309 121 1HG1 ILE 18 2HG1 ILE 18 0.469 -8.881 -4.166 122 2HG1 ILE 18 1HG1 ILE 18 -0.456 -10.193 -4.895 123 1HG2 ILE 18 1HG2 ILE 18 2.807 -10.221 -2.548 124 2HG2 ILE 18 2HG2 ILE 18 2.336 -9.351 -4.007 125 3HG2 ILE 18 3HG2 ILE 18 2.914 -11.013 -4.121 126 1HD1 ILE 18 1HD1 ILE 18 -2.111 -9.991 -3.371 127 2HD1 ILE 18 2HD1 ILE 18 -1.354 -8.471 -2.897 128 3HD1 ILE 18 3HD1 ILE 18 -0.966 -9.956 -2.029 129 H THR 19 H THR 19 2.881 -13.282 -4.960 130 HA THR 19 HA THR 19 3.256 -14.955 -2.504 131 HB THR 19 HB THR 19 4.217 -15.571 -5.317 132 HG1 THR 19 HG1 THR 19 2.274 -16.268 -5.601 133 1HG2 THR 19 1HG2 THR 19 5.428 -16.492 -3.217 134 2HG2 THR 19 2HG2 THR 19 4.943 -17.642 -4.462 135 3HG2 THR 19 3HG2 THR 19 3.980 -17.475 -2.994 136 H LEU 20 H LEU 20 5.009 -14.385 -1.331 137 HA LEU 20 HA LEU 20 6.896 -12.389 -2.199 138 1HB LEU 20 2HB LEU 20 6.198 -13.603 0.228 139 2HB LEU 20 1HB LEU 20 7.870 -14.087 -0.033 140 HG LEU 20 HG LEU 20 7.669 -11.943 1.229 141 1HD1 LEU 20 1HD1 LEU 20 9.267 -12.482 -1.085 142 2HD1 LEU 20 2HD1 LEU 20 9.681 -11.520 0.332 143 3HD1 LEU 20 3HD1 LEU 20 8.898 -10.758 -1.052 144 1HD2 LEU 20 1HD2 LEU 20 7.084 -10.159 -0.899 145 2HD2 LEU 20 2HD2 LEU 20 6.147 -10.427 0.569 146 3HD2 LEU 20 3HD2 LEU 20 5.798 -11.367 -0.881 147 H THR 21 H THR 21 8.916 -12.620 -3.124 148 HA THR 21 HA THR 21 9.580 -15.046 -4.509 149 HB THR 21 HB THR 21 11.837 -13.881 -4.839 150 HG1 THR 21 HG1 THR 21 12.185 -12.071 -3.824 151 1HG2 THR 21 1HG2 THR 21 9.226 -13.268 -5.853 152 2HG2 THR 21 2HG2 THR 21 10.782 -13.153 -6.679 153 3HG2 THR 21 3HG2 THR 21 10.164 -11.776 -5.764 154 H SER 22 H SER 22 11.105 -13.513 -1.648 155 HA SER 22 HA SER 22 12.747 -15.895 -1.146 156 1HB SER 22 2HB SER 22 12.498 -13.161 -0.002 157 2HB SER 22 1HB SER 22 13.062 -14.419 1.094 158 HG SER 22 HG SER 22 14.628 -13.210 -0.355 159 H ASP 23 H ASP 23 9.643 -14.680 -0.138 160 HA ASP 23 HA ASP 23 8.024 -15.531 1.312 161 1HB ASP 23 2HB ASP 23 9.710 -18.053 1.139 162 2HB ASP 23 1HB ASP 23 8.053 -17.961 1.731 163 HA PRO 24 HA PRO 24 10.942 -14.866 4.864 164 1HB PRO 24 2HB PRO 24 10.046 -12.336 5.476 165 2HB PRO 24 1HB PRO 24 11.372 -12.659 4.344 166 1HG PRO 24 2HG PRO 24 8.574 -11.818 3.761 167 2HG PRO 24 1HG PRO 24 10.043 -11.568 2.805 168 1HD PRO 24 2HD PRO 24 8.050 -13.524 2.319 169 2HD PRO 24 1HD PRO 24 9.656 -13.447 1.563 170 H LYS 25 H LYS 25 9.586 -16.509 5.859 171 HA LYS 25 HA LYS 25 8.244 -17.196 7.653 172 1HB LYS 25 2HB LYS 25 8.507 -14.458 8.155 173 2HB LYS 25 1HB LYS 25 6.765 -14.746 8.170 174 1HG LYS 25 2HG LYS 25 7.413 -16.842 9.615 175 2HG LYS 25 1HG LYS 25 8.894 -15.934 9.919 176 1HD LYS 25 2HD LYS 25 7.760 -14.189 10.986 177 2HD LYS 25 1HD LYS 25 6.223 -14.594 10.220 178 1HE LYS 25 2HE LYS 25 7.383 -16.729 11.908 179 2HE LYS 25 1HE LYS 25 6.863 -15.284 12.777 180 1HZ LYS 25 1HZ LYS 25 5.056 -16.336 10.740 181 2HZ LYS 25 2HZ LYS 25 4.708 -15.614 12.239 182 3HZ LYS 25 3HZ LYS 25 5.211 -17.236 12.170 183 H LEU 26 H LEU 26 6.790 -15.097 5.173 184 HA LEU 26 HA LEU 26 4.321 -16.773 5.328 185 1HB LEU 26 2HB LEU 26 4.574 -13.998 5.474 186 2HB LEU 26 1HB LEU 26 4.076 -14.292 3.809 187 HG LEU 26 HG LEU 26 2.516 -16.023 5.410 188 1HD1 LEU 26 1HD1 LEU 26 1.393 -13.937 6.672 189 2HD1 LEU 26 2HD1 LEU 26 3.067 -13.379 6.675 190 3HD1 LEU 26 3HD1 LEU 26 2.649 -14.921 7.423 191 1HD2 LEU 26 1HD2 LEU 26 0.771 -14.119 4.719 192 2HD2 LEU 26 2HD2 LEU 26 1.461 -15.215 3.521 193 3HD2 LEU 26 3HD2 LEU 26 2.122 -13.591 3.716 194 HA PRO 27 HA PRO 27 5.526 -18.132 1.269 195 1HB PRO 27 2HB PRO 27 3.268 -19.631 0.797 196 2HB PRO 27 1HB PRO 27 4.613 -20.172 1.817 197 1HG PRO 27 2HG PRO 27 1.911 -19.212 2.629 198 2HG PRO 27 1HG PRO 27 3.020 -20.297 3.482 199 1HD PRO 27 2HD PRO 27 2.606 -17.554 4.063 200 2HD PRO 27 1HD PRO 27 3.924 -18.569 4.685 201 H PHE 28 H PHE 28 1.996 -17.409 1.530 202 HA PHE 28 HA PHE 28 2.288 -15.415 -0.649 203 1HB PHE 28 2HB PHE 28 0.381 -16.390 -1.896 204 2HB PHE 28 1HB PHE 28 1.741 -17.506 -1.810 205 HD1 PHE 28 HD1 PHE 28 -1.666 -16.784 -0.604 206 HD2 PHE 28 HD2 PHE 28 1.638 -19.525 -0.434 207 HE1 PHE 28 HE1 PHE 28 -3.126 -18.480 0.462 208 HE2 PHE 28 HE2 PHE 28 0.177 -21.219 0.633 209 HZ PHE 28 HZ PHE 28 -2.205 -20.696 1.082 210 H LYS 29 H LYS 29 0.321 -14.056 -0.883 211 HA LYS 29 HA LYS 29 -1.401 -14.014 1.561 212 1HB LYS 29 2HB LYS 29 0.470 -12.321 1.686 213 2HB LYS 29 1HB LYS 29 -0.202 -11.557 0.246 214 1HG LYS 29 2HG LYS 29 -1.202 -10.326 1.966 215 2HG LYS 29 1HG LYS 29 -2.434 -11.537 1.613 216 1HD LYS 29 2HD LYS 29 -0.634 -12.696 3.489 217 2HD LYS 29 1HD LYS 29 -1.043 -11.086 4.082 218 1HE LYS 29 2HE LYS 29 -3.397 -11.559 3.988 219 2HE LYS 29 1HE LYS 29 -3.117 -13.071 3.123 220 1HZ LYS 29 1HZ LYS 29 -2.145 -14.035 5.016 221 2HZ LYS 29 2HZ LYS 29 -3.551 -13.259 5.575 222 3HZ LYS 29 3HZ LYS 29 -2.027 -12.549 5.827 223 H VAL 30 H VAL 30 -3.533 -13.885 1.047 224 HA VAL 30 HA VAL 30 -4.271 -13.193 -1.759 225 HB VAL 30 HB VAL 30 -5.909 -14.578 0.393 226 1HG1 VAL 30 1HG1 VAL 30 -7.661 -14.320 -0.995 227 2HG1 VAL 30 2HG1 VAL 30 -6.761 -15.094 -2.299 228 3HG1 VAL 30 3HG1 VAL 30 -6.655 -13.349 -2.070 229 1HG2 VAL 30 1HG2 VAL 30 -4.033 -15.981 -0.283 230 2HG2 VAL 30 2HG2 VAL 30 -4.365 -15.663 -1.986 231 3HG2 VAL 30 3HG2 VAL 30 -5.505 -16.610 -1.027 232 H LEU 31 H LEU 31 -5.189 -11.225 -2.112 233 HA LEU 31 HA LEU 31 -6.410 -9.805 0.227 234 1HB LEU 31 2HB LEU 31 -4.413 -8.978 -1.725 235 2HB LEU 31 1HB LEU 31 -5.800 -7.889 -1.728 236 HG LEU 31 HG LEU 31 -5.184 -8.515 0.993 237 1HD1 LEU 31 1HD1 LEU 31 -2.944 -8.860 0.885 238 2HD1 LEU 31 2HD1 LEU 31 -2.839 -7.128 0.569 239 3HD1 LEU 31 3HD1 LEU 31 -2.846 -8.270 -0.774 240 1HD2 LEU 31 1HD2 LEU 31 -5.916 -6.329 -0.589 241 2HD2 LEU 31 2HD2 LEU 31 -4.337 -5.882 0.058 242 3HD2 LEU 31 3HD2 LEU 31 -5.651 -6.307 1.154 243 H SER 32 H SER 32 -8.578 -9.621 0.039 244 HA SER 32 HA SER 32 -9.785 -9.632 -2.696 245 1HB SER 32 2HB SER 32 -10.411 -11.338 -0.764 246 2HB SER 32 1HB SER 32 -11.413 -10.003 -0.203 247 HG SER 32 HG SER 32 -12.718 -10.952 -1.618 248 H VAL 33 H VAL 33 -10.091 -7.557 -3.351 249 HA VAL 33 HA VAL 33 -11.567 -5.718 -1.535 250 HB VAL 33 HB VAL 33 -10.060 -3.832 -2.303 251 1HG1 VAL 33 1HG1 VAL 33 -9.889 -5.140 -0.090 252 2HG1 VAL 33 2HG1 VAL 33 -8.481 -4.200 -0.581 253 3HG1 VAL 33 3HG1 VAL 33 -8.501 -5.947 -0.819 254 1HG2 VAL 33 1HG2 VAL 33 -7.677 -4.877 -2.898 255 2HG2 VAL 33 2HG2 VAL 33 -8.862 -4.533 -4.158 256 3HG2 VAL 33 3HG2 VAL 33 -8.674 -6.177 -3.551 257 HA PRO 34 HA PRO 34 -13.812 -4.729 -5.180 258 1HB PRO 34 2HB PRO 34 -14.557 -2.143 -4.602 259 2HB PRO 34 1HB PRO 34 -15.287 -3.569 -3.845 260 1HG PRO 34 2HG PRO 34 -13.322 -1.632 -2.702 261 2HG PRO 34 1HG PRO 34 -14.549 -2.607 -1.875 262 1HD PRO 34 2HD PRO 34 -11.797 -3.191 -1.968 263 2HD PRO 34 1HD PRO 34 -13.078 -4.332 -1.512 264 H GLU 35 H GLU 35 -13.825 -3.264 -7.088 265 HA GLU 35 HA GLU 35 -11.228 -2.640 -8.060 266 1HB GLU 35 2HB GLU 35 -12.399 -1.467 -9.906 267 2HB GLU 35 1HB GLU 35 -13.105 -3.048 -9.576 268 1HG GLU 35 2HG GLU 35 -14.389 -1.068 -7.918 269 2HG GLU 35 1HG GLU 35 -14.427 -0.537 -9.598 270 H SER 36 H SER 36 -13.445 -0.709 -6.151 271 HA SER 36 HA SER 36 -12.429 1.893 -6.744 272 1HB SER 36 2HB SER 36 -14.176 0.688 -4.768 273 2HB SER 36 1HB SER 36 -13.127 1.886 -4.018 274 HG SER 36 HG SER 36 -14.888 2.963 -4.816 275 H THR 37 H THR 37 -11.373 -0.562 -4.376 276 HA THR 37 HA THR 37 -9.372 1.074 -3.115 277 HB THR 37 HB THR 37 -9.589 -1.943 -3.389 278 HG1 THR 37 HG1 THR 37 -11.201 -1.293 -2.122 279 1HG2 THR 37 1HG2 THR 37 -7.315 -1.582 -2.878 280 2HG2 THR 37 2HG2 THR 37 -8.064 -1.805 -1.298 281 3HG2 THR 37 3HG2 THR 37 -7.673 -0.183 -1.867 282 HA PRO 38 HA PRO 38 -6.524 1.052 -6.538 283 1HB PRO 38 2HB PRO 38 -4.634 2.619 -5.302 284 2HB PRO 38 1HB PRO 38 -6.112 3.260 -6.040 285 1HG PRO 38 2HG PRO 38 -5.456 2.909 -3.152 286 2HG PRO 38 1HG PRO 38 -6.561 4.060 -3.919 287 1HD PRO 38 2HD PRO 38 -7.308 1.679 -2.582 288 2HD PRO 38 1HD PRO 38 -8.355 2.667 -3.622 289 H PHE 39 H PHE 39 -4.243 0.375 -6.903 290 HA PHE 39 HA PHE 39 -3.548 -2.012 -5.467 291 1HB PHE 39 2HB PHE 39 -2.901 -1.157 -7.903 292 2HB PHE 39 1HB PHE 39 -1.480 -0.545 -7.060 293 HD1 PHE 39 HD1 PHE 39 -3.595 -3.657 -7.076 294 HD2 PHE 39 HD2 PHE 39 0.357 -1.975 -6.967 295 HE1 PHE 39 HE1 PHE 39 -2.624 -5.938 -7.063 296 HE2 PHE 39 HE2 PHE 39 1.327 -4.256 -6.955 297 HZ PHE 39 HZ PHE 39 -0.162 -6.238 -7.002 298 H THR 40 H THR 40 -2.867 1.337 -4.856 299 HA THR 40 HA THR 40 -0.402 1.129 -3.429 300 HB THR 40 HB THR 40 -1.676 3.102 -2.052 301 HG1 THR 40 HG1 THR 40 -3.331 3.872 -3.113 302 1HG2 THR 40 1HG2 THR 40 -1.019 4.246 -4.563 303 2HG2 THR 40 2HG2 THR 40 0.083 2.895 -4.302 304 3HG2 THR 40 3HG2 THR 40 -0.028 4.186 -3.106 305 H ALA 41 H ALA 41 -3.786 0.886 -2.309 306 HA ALA 41 HA ALA 41 -3.064 0.237 0.425 307 1HB ALA 41 1HB ALA 41 -5.438 -0.259 0.714 308 2HB ALA 41 2HB ALA 41 -5.673 -0.285 -1.033 309 3HB ALA 41 3HB ALA 41 -5.265 1.226 -0.220 310 H VAL 42 H VAL 42 -3.897 -1.660 -2.474 311 HA VAL 42 HA VAL 42 -4.073 -4.224 -1.214 312 HB VAL 42 HB VAL 42 -3.151 -3.528 -4.025 313 1HG1 VAL 42 1HG1 VAL 42 -2.586 -5.856 -3.169 314 2HG1 VAL 42 2HG1 VAL 42 -3.620 -5.814 -4.597 315 3HG1 VAL 42 3HG1 VAL 42 -4.321 -6.132 -3.009 316 1HG2 VAL 42 1HG2 VAL 42 -5.729 -3.429 -2.700 317 2HG2 VAL 42 2HG2 VAL 42 -5.756 -4.618 -4.004 318 3HG2 VAL 42 3HG2 VAL 42 -5.308 -2.945 -4.344 319 H LEU 43 H LEU 43 -1.290 -2.598 -2.776 320 HA LEU 43 HA LEU 43 0.620 -4.660 -2.182 321 1HB LEU 43 2HB LEU 43 0.787 -2.664 -3.844 322 2HB LEU 43 1HB LEU 43 1.337 -1.741 -2.446 323 HG LEU 43 HG LEU 43 2.666 -4.350 -2.703 324 1HD1 LEU 43 1HD1 LEU 43 2.529 -4.009 -5.068 325 2HD1 LEU 43 2HD1 LEU 43 4.141 -3.468 -4.596 326 3HD1 LEU 43 3HD1 LEU 43 2.869 -2.286 -4.909 327 1HD2 LEU 43 1HD2 LEU 43 3.588 -2.809 -1.165 328 2HD2 LEU 43 2HD2 LEU 43 3.440 -1.460 -2.292 329 3HD2 LEU 43 3HD2 LEU 43 4.668 -2.698 -2.556 330 H LYS 44 H LYS 44 -0.480 -1.805 -0.389 331 HA LYS 44 HA LYS 44 1.539 -1.854 1.648 332 1HB LYS 44 2HB LYS 44 -0.743 -0.305 1.049 333 2HB LYS 44 1HB LYS 44 -1.010 -0.946 2.668 334 1HG LYS 44 2HG LYS 44 0.902 0.079 3.535 335 2HG LYS 44 1HG LYS 44 1.665 0.210 1.949 336 1HD LYS 44 2HD LYS 44 -0.153 1.846 1.311 337 2HD LYS 44 1HD LYS 44 -0.667 1.828 2.999 338 1HE LYS 44 2HE LYS 44 0.809 3.697 2.784 339 2HE LYS 44 1HE LYS 44 1.734 2.439 3.603 340 1HZ LYS 44 1HZ LYS 44 2.603 1.798 1.376 341 2HZ LYS 44 2HZ LYS 44 3.082 3.342 1.895 342 3HZ LYS 44 3HZ LYS 44 1.853 3.178 0.734 343 H PHE 45 H PHE 45 -1.761 -3.245 1.576 344 HA PHE 45 HA PHE 45 -1.617 -4.452 4.172 345 1HB PHE 45 2HB PHE 45 -3.644 -4.075 2.496 346 2HB PHE 45 1HB PHE 45 -3.237 -5.715 1.991 347 HD1 PHE 45 HD1 PHE 45 -3.482 -3.822 5.236 348 HD2 PHE 45 HD2 PHE 45 -4.442 -7.394 3.051 349 HE1 PHE 45 HE1 PHE 45 -4.653 -4.725 7.226 350 HE2 PHE 45 HE2 PHE 45 -5.613 -8.296 5.042 351 HZ PHE 45 HZ PHE 45 -5.719 -6.961 7.129 352 H ALA 46 H ALA 46 -0.892 -5.737 0.915 353 HA ALA 46 HA ALA 46 -0.279 -8.408 1.754 354 1HB ALA 46 1HB ALA 46 -0.400 -8.438 -0.521 355 2HB ALA 46 2HB ALA 46 1.319 -8.051 -0.439 356 3HB ALA 46 3HB ALA 46 0.135 -6.764 -0.668 357 H ALA 47 H ALA 47 1.860 -5.592 1.170 358 HA ALA 47 HA ALA 47 4.297 -6.883 1.931 359 1HB ALA 47 1HB ALA 47 5.157 -4.559 2.238 360 2HB ALA 47 2HB ALA 47 3.511 -3.955 2.053 361 3HB ALA 47 3HB ALA 47 4.308 -4.769 0.706 362 H GLU 48 H GLU 48 1.839 -5.157 3.829 363 HA GLU 48 HA GLU 48 3.254 -4.950 6.289 364 1HB GLU 48 2HB GLU 48 1.055 -3.857 5.777 365 2HB GLU 48 1HB GLU 48 0.280 -5.433 5.930 366 1HG GLU 48 2HG GLU 48 1.999 -4.882 8.214 367 2HG GLU 48 1HG GLU 48 0.788 -3.617 8.005 368 H GLU 49 H GLU 49 1.097 -7.558 5.106 369 HA GLU 49 HA GLU 49 1.557 -9.244 7.427 370 1HB GLU 49 2HB GLU 49 0.248 -9.605 4.747 371 2HB GLU 49 1HB GLU 49 0.597 -11.020 5.739 372 1HG GLU 49 2HG GLU 49 -1.395 -10.576 6.733 373 2HG GLU 49 1HG GLU 49 -0.515 -9.304 7.580 374 H PHE 50 H PHE 50 3.176 -8.791 4.343 375 HA PHE 50 HA PHE 50 4.691 -11.291 4.503 376 1HB PHE 50 2HB PHE 50 4.584 -8.942 2.662 377 2HB PHE 50 1HB PHE 50 6.053 -9.914 2.667 378 HD1 PHE 50 HD1 PHE 50 5.299 -12.625 2.980 379 HD2 PHE 50 HD2 PHE 50 3.167 -9.522 0.908 380 HE1 PHE 50 HE1 PHE 50 4.171 -14.332 1.579 381 HE2 PHE 50 HE2 PHE 50 2.040 -11.231 -0.489 382 HZ PHE 50 HZ PHE 50 2.543 -13.634 -0.154 383 H LYS 51 H LYS 51 4.921 -8.484 6.277 384 HA LYS 51 HA LYS 51 6.580 -7.613 7.667 385 1HB LYS 51 2HB LYS 51 7.666 -10.325 6.989 386 2HB LYS 51 1HB LYS 51 8.726 -9.169 7.792 387 1HG LYS 51 2HG LYS 51 7.721 -9.588 9.756 388 2HG LYS 51 1HG LYS 51 6.170 -9.088 9.080 389 1HD LYS 51 2HD LYS 51 6.238 -11.490 7.975 390 2HD LYS 51 1HD LYS 51 7.344 -11.836 9.305 391 1HE LYS 51 2HE LYS 51 5.648 -11.919 10.785 392 2HE LYS 51 1HE LYS 51 5.039 -10.353 10.252 393 1HZ LYS 51 1HZ LYS 51 3.913 -11.427 8.425 394 2HZ LYS 51 2HZ LYS 51 3.435 -12.137 9.894 395 3HZ LYS 51 3HZ LYS 51 4.539 -12.938 8.879 396 H VAL 52 H VAL 52 6.443 -6.787 4.914 397 HA VAL 52 HA VAL 52 9.282 -5.943 4.528 398 HB VAL 52 HB VAL 52 8.861 -6.031 2.038 399 1HG1 VAL 52 1HG1 VAL 52 9.346 -8.380 1.854 400 2HG1 VAL 52 2HG1 VAL 52 8.567 -8.720 3.399 401 3HG1 VAL 52 3HG1 VAL 52 10.079 -7.813 3.355 402 1HG2 VAL 52 1HG2 VAL 52 6.219 -6.485 2.837 403 2HG2 VAL 52 2HG2 VAL 52 6.768 -8.053 2.248 404 3HG2 VAL 52 3HG2 VAL 52 6.852 -6.639 1.199 405 HA PRO 53 HA PRO 53 7.564 -1.909 4.236 406 1HB PRO 53 2HB PRO 53 9.471 -0.695 2.670 407 2HB PRO 53 1HB PRO 53 9.701 -1.089 4.380 408 1HG PRO 53 2HG PRO 53 10.818 -2.452 1.972 409 2HG PRO 53 1HG PRO 53 11.476 -2.363 3.614 410 1HD PRO 53 2HD PRO 53 10.124 -4.580 2.502 411 2HD PRO 53 1HD PRO 53 10.464 -4.328 4.227 412 H ALA 54 H ALA 54 5.866 -1.260 3.019 413 HA ALA 54 HA ALA 54 5.390 -2.223 0.335 414 1HB ALA 54 1HB ALA 54 3.640 -0.128 0.636 415 2HB ALA 54 2HB ALA 54 3.976 -0.556 2.315 416 3HB ALA 54 3HB ALA 54 3.341 -1.770 1.205 417 H ALA 55 H ALA 55 6.574 0.848 1.673 418 HA ALA 55 HA ALA 55 6.493 2.385 -0.733 419 1HB ALA 55 1HB ALA 55 6.884 3.387 1.489 420 2HB ALA 55 2HB ALA 55 8.175 3.821 0.367 421 3HB ALA 55 3HB ALA 55 8.445 2.572 1.583 422 H THR 56 H THR 56 8.915 0.115 0.536 423 HA THR 56 HA THR 56 10.531 0.524 -1.945 424 HB THR 56 HB THR 56 11.446 -1.022 0.486 425 HG1 THR 56 HG1 THR 56 11.493 0.775 1.538 426 1HG2 THR 56 1HG2 THR 56 12.889 -1.294 -1.386 427 2HG2 THR 56 2HG2 THR 56 13.663 -0.072 -0.377 428 3HG2 THR 56 3HG2 THR 56 12.772 0.413 -1.818 429 H SER 57 H SER 57 8.116 -0.963 -2.128 430 HA SER 57 HA SER 57 9.220 -3.645 -2.806 431 1HB SER 57 2HB SER 57 7.011 -3.041 -0.910 432 2HB SER 57 1HB SER 57 6.749 -4.382 -2.020 433 HG SER 57 HG SER 57 7.859 -4.831 0.057 434 H ALA 58 H ALA 58 7.925 -4.782 -4.407 435 HA ALA 58 HA ALA 58 5.892 -3.181 -5.863 436 1HB ALA 58 1HB ALA 58 7.605 -4.414 -7.804 437 2HB ALA 58 2HB ALA 58 8.600 -3.438 -6.723 438 3HB ALA 58 3HB ALA 58 7.254 -2.698 -7.590 439 H ILE 59 H ILE 59 4.834 -4.608 -7.609 440 HA ILE 59 HA ILE 59 5.006 -7.502 -6.880 441 HB ILE 59 HB ILE 59 2.571 -5.727 -6.946 442 1HG1 ILE 59 2HG1 ILE 59 3.288 -8.017 -5.101 443 2HG1 ILE 59 1HG1 ILE 59 3.860 -6.372 -4.826 444 1HG2 ILE 59 1HG2 ILE 59 1.524 -7.311 -8.200 445 2HG2 ILE 59 2HG2 ILE 59 1.531 -8.255 -6.711 446 3HG2 ILE 59 3HG2 ILE 59 2.789 -8.507 -7.918 447 1HD1 ILE 59 1HD1 ILE 59 0.954 -7.215 -5.052 448 2HD1 ILE 59 2HD1 ILE 59 1.523 -5.566 -4.791 449 3HD1 ILE 59 3HD1 ILE 59 1.791 -6.797 -3.556 450 H ILE 60 H ILE 60 5.196 -8.782 -8.658 451 HA ILE 60 HA ILE 60 4.638 -7.563 -11.326 452 HB ILE 60 HB ILE 60 6.128 -9.270 -12.249 453 1HG1 ILE 60 2HG1 ILE 60 7.229 -10.330 -9.798 454 2HG1 ILE 60 1HG1 ILE 60 5.497 -10.651 -9.851 455 1HG2 ILE 60 1HG2 ILE 60 7.298 -7.317 -11.567 456 2HG2 ILE 60 2HG2 ILE 60 8.231 -8.658 -10.906 457 3HG2 ILE 60 3HG2 ILE 60 7.156 -7.733 -9.858 458 1HD1 ILE 60 1HD1 ILE 60 6.667 -11.117 -12.454 459 2HD1 ILE 60 2HD1 ILE 60 5.783 -12.239 -11.420 460 3HD1 ILE 60 3HD1 ILE 60 7.526 -12.048 -11.225 461 H THR 61 H THR 61 3.759 -9.173 -12.993 462 HA THR 61 HA THR 61 1.698 -10.902 -11.681 463 HB THR 61 HB THR 61 0.801 -9.022 -13.030 464 HG1 THR 61 HG1 THR 61 -0.590 -10.639 -13.099 465 1HG2 THR 61 1HG2 THR 61 1.133 -9.684 -15.652 466 2HG2 THR 61 2HG2 THR 61 2.709 -10.128 -14.998 467 3HG2 THR 61 3HG2 THR 61 2.109 -8.482 -14.808 468 H ASN 62 H ASN 62 0.988 -12.768 -13.229 469 HA ASN 62 HA ASN 62 3.256 -14.493 -13.645 470 1HB ASN 62 2HB ASN 62 0.645 -14.969 -13.238 471 2HB ASN 62 1HB ASN 62 0.668 -15.103 -14.997 472 1HD2 ASN 62 1HD2 ASN 62 1.421 -17.065 -15.856 473 2HD2 ASN 62 2HD2 ASN 62 2.220 -18.261 -14.956 474 H ASP 63 H ASP 63 1.748 -12.131 -15.679 475 HA ASP 63 HA ASP 63 2.556 -13.336 -18.216 476 1HB ASP 63 2HB ASP 63 1.749 -10.470 -17.626 477 2HB ASP 63 1HB ASP 63 1.800 -11.239 -19.212 478 H GLY 64 H GLY 64 4.083 -11.339 -15.809 479 1HA GLY 64 2HA GLY 64 6.510 -11.084 -15.808 480 2HA GLY 64 1HA GLY 64 6.478 -11.113 -17.571 481 H VAL 65 H VAL 65 4.466 -9.225 -15.314 482 HA VAL 65 HA VAL 65 5.635 -6.727 -16.477 483 HB VAL 65 HB VAL 65 2.726 -7.129 -15.704 484 1HG1 VAL 65 1HG1 VAL 65 4.126 -4.911 -17.228 485 2HG1 VAL 65 2HG1 VAL 65 3.603 -4.810 -15.546 486 3HG1 VAL 65 3HG1 VAL 65 2.408 -4.976 -16.833 487 1HG2 VAL 65 1HG2 VAL 65 3.803 -6.852 -18.514 488 2HG2 VAL 65 2HG2 VAL 65 2.201 -7.384 -18.005 489 3HG2 VAL 65 3HG2 VAL 65 3.596 -8.434 -17.762 490 H GLY 66 H GLY 66 6.315 -5.290 -14.946 491 1HA GLY 66 2HA GLY 66 6.121 -6.011 -12.127 492 2HA GLY 66 1HA GLY 66 6.976 -4.618 -12.784 493 H VAL 67 H VAL 67 3.872 -5.823 -11.717 494 HA VAL 67 HA VAL 67 2.290 -3.496 -12.265 495 HB VAL 67 HB VAL 67 1.890 -5.402 -9.942 496 1HG1 VAL 67 1HG1 VAL 67 0.024 -3.699 -11.616 497 2HG1 VAL 67 2HG1 VAL 67 0.420 -3.471 -9.911 498 3HG1 VAL 67 3HG1 VAL 67 -0.513 -4.880 -10.419 499 1HG2 VAL 67 1HG2 VAL 67 2.095 -6.883 -11.765 500 2HG2 VAL 67 2HG2 VAL 67 1.374 -5.737 -12.894 501 3HG2 VAL 67 3HG2 VAL 67 0.362 -6.561 -11.708 502 H ASN 68 H ASN 68 2.213 -1.555 -11.248 503 HA ASN 68 HA ASN 68 3.824 -1.220 -8.754 504 1HB ASN 68 2HB ASN 68 3.159 0.590 -11.059 505 2HB ASN 68 1HB ASN 68 3.542 1.295 -9.488 506 1HD2 ASN 68 1HD2 ASN 68 5.745 1.219 -8.772 507 2HD2 ASN 68 2HD2 ASN 68 7.000 0.575 -9.718 508 HA PRO 69 HA PRO 69 0.201 -0.148 -6.501 509 1HB PRO 69 2HB PRO 69 1.288 1.604 -4.677 510 2HB PRO 69 1HB PRO 69 1.528 -0.149 -4.614 511 1HG PRO 69 2HG PRO 69 3.439 1.977 -5.451 512 2HG PRO 69 1HG PRO 69 3.771 0.363 -4.800 513 1HD PRO 69 2HD PRO 69 3.927 1.130 -7.528 514 2HD PRO 69 1HD PRO 69 3.969 -0.530 -6.900 515 H ALA 70 H ALA 70 -0.343 1.071 -8.677 516 HA ALA 70 HA ALA 70 -0.976 3.892 -7.965 517 1HB ALA 70 1HB ALA 70 0.292 3.015 -10.578 518 2HB ALA 70 2HB ALA 70 1.053 4.008 -9.335 519 3HB ALA 70 3HB ALA 70 -0.322 4.635 -10.244 520 H GLN 71 H GLN 71 -1.483 1.264 -10.348 521 HA GLN 71 HA GLN 71 -3.960 2.346 -11.371 522 1HB GLN 71 2HB GLN 71 -2.843 -0.473 -11.443 523 2HB GLN 71 1HB GLN 71 -4.249 0.068 -12.359 524 1HG GLN 71 2HG GLN 71 -2.833 0.712 -13.989 525 2HG GLN 71 1HG GLN 71 -2.261 1.976 -12.899 526 1HE2 GLN 71 1HE2 GLN 71 -1.613 -1.389 -13.942 527 2HE2 GLN 71 2HE2 GLN 71 0.003 -1.404 -13.425 528 HA PRO 72 HA PRO 72 -6.829 0.943 -8.335 529 1HB PRO 72 2HB PRO 72 -9.039 0.570 -9.929 530 2HB PRO 72 1HB PRO 72 -8.431 2.165 -9.453 531 1HG PRO 72 2HG PRO 72 -8.216 0.782 -12.087 532 2HG PRO 72 1HG PRO 72 -8.226 2.517 -11.729 533 1HD PRO 72 2HD PRO 72 -5.938 0.969 -12.325 534 2HD PRO 72 1HD PRO 72 -5.938 2.602 -11.625 535 H ALA 73 H ALA 73 -7.922 -0.976 -7.567 536 HA ALA 73 HA ALA 73 -6.800 -3.473 -8.232 537 1HB ALA 73 1HB ALA 73 -8.521 -4.467 -6.868 538 2HB ALA 73 2HB ALA 73 -9.582 -3.079 -7.099 539 3HB ALA 73 3HB ALA 73 -8.109 -2.914 -6.144 540 H GLY 74 H GLY 74 -9.761 -1.951 -9.504 541 1HA GLY 74 2HA GLY 74 -10.789 -4.170 -10.949 542 2HA GLY 74 1HA GLY 74 -11.061 -2.483 -11.383 543 H ASN 75 H ASN 75 -8.576 -1.577 -12.070 544 HA ASN 75 HA ASN 75 -8.163 -2.741 -14.679 545 1HB ASN 75 2HB ASN 75 -7.717 -0.313 -13.897 546 2HB ASN 75 1HB ASN 75 -6.182 -0.937 -13.290 547 1HD2 ASN 75 1HD2 ASN 75 -8.124 -0.602 -16.285 548 2HD2 ASN 75 2HD2 ASN 75 -6.799 -0.711 -17.341 549 H ILE 76 H ILE 76 -6.450 -3.027 -11.579 550 HA ILE 76 HA ILE 76 -4.130 -4.398 -12.521 551 HB ILE 76 HB ILE 76 -5.571 -4.594 -9.855 552 1HG1 ILE 76 2HG1 ILE 76 -4.699 -2.330 -10.578 553 2HG1 ILE 76 1HG1 ILE 76 -3.984 -2.943 -9.090 554 1HG2 ILE 76 1HG2 ILE 76 -3.942 -5.970 -9.067 555 2HG2 ILE 76 2HG2 ILE 76 -2.674 -5.155 -9.980 556 3HG2 ILE 76 3HG2 ILE 76 -3.684 -6.366 -10.765 557 1HD1 ILE 76 1HD1 ILE 76 -2.022 -3.737 -10.355 558 2HD1 ILE 76 2HD1 ILE 76 -2.258 -2.005 -10.584 559 3HD1 ILE 76 3HD1 ILE 76 -2.738 -3.135 -11.851 560 H PHE 77 H PHE 77 -7.292 -5.644 -11.420 561 HA PHE 77 HA PHE 77 -6.572 -8.428 -11.840 562 1HB PHE 77 2HB PHE 77 -8.403 -7.489 -10.290 563 2HB PHE 77 1HB PHE 77 -9.385 -7.326 -11.745 564 HD1 PHE 77 HD1 PHE 77 -7.682 -9.717 -9.495 565 HD2 PHE 77 HD2 PHE 77 -10.247 -9.267 -12.912 566 HE1 PHE 77 HE1 PHE 77 -8.269 -12.123 -9.374 567 HE2 PHE 77 HE2 PHE 77 -10.832 -11.674 -12.789 568 HZ PHE 77 HZ PHE 77 -9.842 -13.101 -11.020 569 H LEU 78 H LEU 78 -8.166 -5.930 -13.791 570 HA LEU 78 HA LEU 78 -9.098 -7.709 -15.868 571 1HB LEU 78 2HB LEU 78 -8.621 -4.729 -15.734 572 2HB LEU 78 1HB LEU 78 -9.155 -5.514 -17.220 573 HG LEU 78 HG LEU 78 -10.601 -5.909 -14.593 574 1HD1 LEU 78 1HD1 LEU 78 -11.539 -3.868 -14.746 575 2HD1 LEU 78 2HD1 LEU 78 -11.974 -4.153 -16.432 576 3HD1 LEU 78 3HD1 LEU 78 -10.393 -3.483 -16.031 577 1HD2 LEU 78 1HD2 LEU 78 -12.049 -7.147 -15.822 578 2HD2 LEU 78 2HD2 LEU 78 -10.795 -7.170 -17.061 579 3HD2 LEU 78 3HD2 LEU 78 -12.079 -5.963 -17.128 580 H LYS 79 H LYS 79 -6.122 -5.778 -15.473 581 HA LYS 79 HA LYS 79 -5.120 -6.717 -18.089 582 1HB LYS 79 2HB LYS 79 -4.808 -4.348 -16.915 583 2HB LYS 79 1HB LYS 79 -3.416 -5.154 -16.192 584 1HG LYS 79 2HG LYS 79 -3.454 -5.839 -18.957 585 2HG LYS 79 1HG LYS 79 -3.675 -4.093 -18.843 586 1HD LYS 79 2HD LYS 79 -1.600 -3.748 -17.916 587 2HD LYS 79 1HD LYS 79 -1.600 -5.304 -17.082 588 1HE LYS 79 2HE LYS 79 -1.609 -6.074 -19.722 589 2HE LYS 79 1HE LYS 79 -0.621 -4.615 -19.771 590 1HZ LYS 79 1HZ LYS 79 -0.038 -6.406 -17.574 591 2HZ LYS 79 2HZ LYS 79 1.014 -5.582 -18.623 592 3HZ LYS 79 3HZ LYS 79 0.295 -7.042 -19.111 593 H HIS 80 H HIS 80 -4.027 -6.890 -14.668 594 HA HIS 80 HA HIS 80 -2.032 -8.933 -15.401 595 1HB HIS 80 2HB HIS 80 -2.732 -7.914 -12.633 596 2HB HIS 80 1HB HIS 80 -1.260 -8.752 -13.122 597 HD1 HIS 80 HD1 HIS 80 0.004 -7.385 -15.260 598 HD2 HIS 80 HD2 HIS 80 -2.358 -5.186 -12.621 599 HE1 HIS 80 HE1 HIS 80 0.696 -4.964 -15.526 600 H GLY 81 H GLY 81 -4.659 -8.825 -12.939 601 1HA GLY 81 2HA GLY 81 -6.378 -10.673 -13.100 602 2HA GLY 81 1HA GLY 81 -5.026 -11.763 -13.407 603 H SER 82 H SER 82 -5.018 -13.061 -11.606 604 HA SER 82 HA SER 82 -5.010 -11.719 -8.931 605 1HB SER 82 2HB SER 82 -6.792 -13.529 -9.621 606 2HB SER 82 1HB SER 82 -5.486 -14.665 -9.293 607 HG SER 82 HG SER 82 -6.160 -14.431 -7.304 608 H GLU 83 H GLU 83 -3.472 -14.356 -10.812 609 HA GLU 83 HA GLU 83 -1.523 -15.058 -8.851 610 1HB GLU 83 2HB GLU 83 -2.137 -15.827 -11.506 611 2HB GLU 83 1HB GLU 83 -0.442 -15.337 -11.513 612 1HG GLU 83 2HG GLU 83 -1.601 -17.214 -9.438 613 2HG GLU 83 1HG GLU 83 -0.861 -17.780 -10.935 614 H LEU 84 H LEU 84 -0.264 -13.516 -7.938 615 HA LEU 84 HA LEU 84 1.427 -11.845 -9.740 616 1HB LEU 84 2HB LEU 84 -0.121 -10.884 -7.315 617 2HB LEU 84 1HB LEU 84 1.130 -9.942 -8.123 618 HG LEU 84 HG LEU 84 -0.913 -11.029 -9.948 619 1HD1 LEU 84 1HD1 LEU 84 -1.988 -10.211 -7.603 620 2HD1 LEU 84 2HD1 LEU 84 -2.783 -9.973 -9.159 621 3HD1 LEU 84 3HD1 LEU 84 -1.861 -8.657 -8.431 622 1HD2 LEU 84 1HD2 LEU 84 0.067 -8.199 -9.467 623 2HD2 LEU 84 2HD2 LEU 84 -0.724 -8.818 -10.917 624 3HD2 LEU 84 3HD2 LEU 84 0.901 -9.361 -10.499 625 H ARG 85 H ARG 85 3.389 -11.033 -8.614 626 HA ARG 85 HA ARG 85 4.172 -12.710 -6.261 627 1HB ARG 85 2HB ARG 85 5.312 -12.657 -8.917 628 2HB ARG 85 1HB ARG 85 6.506 -12.111 -7.739 629 1HG ARG 85 2HG ARG 85 6.678 -14.163 -6.780 630 2HG ARG 85 1HG ARG 85 4.940 -14.452 -6.870 631 1HD ARG 85 2HD ARG 85 6.406 -14.419 -9.457 632 2HD ARG 85 1HD ARG 85 6.722 -15.790 -8.394 633 HE ARG 85 HE ARG 85 4.260 -16.235 -8.429 634 1HH1 ARG 85 1HH2 ARG 85 5.432 -16.538 -11.222 635 2HH1 ARG 85 2HH2 ARG 85 4.261 -15.688 -12.173 636 1HH2 ARG 85 2HH1 ARG 85 2.823 -14.091 -9.450 637 2HH2 ARG 85 1HH1 ARG 85 2.782 -14.298 -11.168 638 H LEU 86 H LEU 86 5.641 -11.668 -4.786 639 HA LEU 86 HA LEU 86 5.654 -8.696 -5.057 640 1HB LEU 86 2HB LEU 86 4.796 -10.191 -2.960 641 2HB LEU 86 1HB LEU 86 6.480 -9.946 -2.499 642 HG LEU 86 HG LEU 86 5.006 -7.560 -3.504 643 1HD1 LEU 86 1HD1 LEU 86 4.297 -9.079 -1.029 644 2HD1 LEU 86 2HD1 LEU 86 3.270 -8.106 -2.081 645 3HD1 LEU 86 3HD1 LEU 86 4.348 -7.319 -0.928 646 1HD2 LEU 86 1HD2 LEU 86 7.449 -8.117 -2.233 647 2HD2 LEU 86 2HD2 LEU 86 6.460 -7.342 -0.995 648 3HD2 LEU 86 3HD2 LEU 86 6.757 -6.522 -2.528 649 H ILE 87 H ILE 87 7.532 -7.788 -5.664 650 HA ILE 87 HA ILE 87 10.093 -9.186 -4.984 651 HB ILE 87 HB ILE 87 11.024 -8.138 -7.062 652 1HG1 ILE 87 2HG1 ILE 87 8.199 -7.625 -7.957 653 2HG1 ILE 87 1HG1 ILE 87 9.041 -6.391 -7.020 654 1HG2 ILE 87 1HG2 ILE 87 8.762 -10.105 -7.102 655 2HG2 ILE 87 2HG2 ILE 87 10.476 -10.365 -7.426 656 3HG2 ILE 87 3HG2 ILE 87 9.460 -9.575 -8.632 657 1HD1 ILE 87 1HD1 ILE 87 10.954 -6.587 -8.676 658 2HD1 ILE 87 2HD1 ILE 87 9.465 -5.906 -9.333 659 3HD1 ILE 87 3HD1 ILE 87 9.891 -7.584 -9.669 660 HA PRO 88 HA PRO 88 11.353 -5.451 -3.041 661 1HB PRO 88 2HB PRO 88 14.074 -5.577 -3.449 662 2HB PRO 88 1HB PRO 88 13.207 -6.588 -2.279 663 1HG PRO 88 2HG PRO 88 14.336 -7.341 -4.935 664 2HG PRO 88 1HG PRO 88 14.054 -8.351 -3.507 665 1HD PRO 88 2HD PRO 88 12.419 -8.255 -5.812 666 2HD PRO 88 1HD PRO 88 11.981 -8.985 -4.253 667 H ARG 89 H ARG 89 10.546 -3.720 -4.260 668 HA ARG 89 HA ARG 89 10.692 -1.788 -5.574 669 1HB ARG 89 2HB ARG 89 13.204 -2.027 -4.835 670 2HB ARG 89 1HB ARG 89 13.445 -2.543 -6.504 671 1HG ARG 89 2HG ARG 89 13.670 -0.299 -6.876 672 2HG ARG 89 1HG ARG 89 11.908 -0.346 -6.916 673 1HD ARG 89 2HD ARG 89 13.484 0.118 -4.374 674 2HD ARG 89 1HD ARG 89 12.907 1.432 -5.399 675 HE ARG 89 HE ARG 89 11.220 -0.349 -3.747 676 1HH1 ARG 89 2HH1 ARG 89 11.369 2.783 -4.171 677 2HH1 ARG 89 1HH1 ARG 89 9.809 3.038 -4.879 678 1HH2 ARG 89 1HH2 ARG 89 9.252 -0.330 -5.516 679 2HH2 ARG 89 2HH2 ARG 89 8.608 1.273 -5.640 680 H ASP 90 H ASP 90 10.090 -1.320 -7.669 681 HA ASP 90 HA ASP 90 9.772 -3.602 -9.500 682 1HB ASP 90 2HB ASP 90 8.214 -1.421 -8.960 683 2HB ASP 90 1HB ASP 90 9.034 -0.885 -10.424 684 H ARG 91 H ARG 91 11.574 -0.544 -9.359 685 HA ARG 91 HA ARG 91 13.376 0.259 -10.594 686 1HB ARG 91 2HB ARG 91 13.645 -2.714 -10.801 687 2HB ARG 91 1HB ARG 91 14.659 -1.717 -11.844 688 1HG ARG 91 2HG ARG 91 15.810 -0.774 -10.061 689 2HG ARG 91 1HG ARG 91 14.461 -0.986 -8.945 690 1HD ARG 91 2HD ARG 91 16.142 -3.248 -10.057 691 2HD ARG 91 1HD ARG 91 16.355 -2.532 -8.459 692 HE ARG 91 HE ARG 91 13.795 -3.240 -8.242 693 1HH1 ARG 91 1HH2 ARG 91 13.873 -4.896 -10.700 694 2HH1 ARG 91 2HH2 ARG 91 14.324 -6.456 -10.097 695 1HH2 ARG 91 2HH1 ARG 91 15.495 -5.218 -7.060 696 2HH2 ARG 91 1HH1 ARG 91 15.248 -6.640 -8.018 697 H VAL 92 H VAL 92 11.135 0.846 -11.827 698 HA VAL 92 HA VAL 92 11.677 0.311 -14.716 699 HB VAL 92 HB VAL 92 9.155 0.501 -15.059 700 1HG1 VAL 92 1HG1 VAL 92 8.758 -1.868 -14.360 701 2HG1 VAL 92 2HG1 VAL 92 10.285 -1.821 -13.478 702 3HG1 VAL 92 3HG1 VAL 92 10.275 -1.641 -15.232 703 1HG2 VAL 92 1HG2 VAL 92 8.033 -0.415 -12.786 704 2HG2 VAL 92 2HG2 VAL 92 8.141 1.305 -13.155 705 3HG2 VAL 92 3HG2 VAL 92 9.322 0.558 -12.080 706 H GLY 93 H GLY 93 12.695 2.497 -13.274 707 1HA GLY 93 2HA GLY 93 12.918 4.768 -14.149 708 2HA GLY 93 1HA GLY 93 11.199 4.745 -14.542 709 H HIS 94 HN HIS 94 13.208 4.219 -11.609 710 HA HIS 94 HA HIS 94 11.172 5.756 -10.055 711 1HB HIS 94 2HB HIS 94 13.262 3.725 -9.247 712 2HB HIS 94 1HB HIS 94 12.444 4.745 -8.063 713 HD1 HIS 94 HD1 HIS 94 10.499 3.561 -7.064 714 HD2 HIS 94 HD2 HIS 94 11.025 2.516 -11.058 715 HE1 HIS 94 HE1 HIS 94 8.649 1.927 -7.623 Start of MODEL 24 1 1H MET 1 1H MET 1 -8.328 -19.080 -17.351 2 2H MET 1 2H MET 1 -7.337 -17.705 -17.235 3 3H MET 1 3H MET 1 -7.142 -18.789 -18.528 4 HA MET 1 HA MET 1 -8.286 -16.858 -19.323 5 1HB MET 1 2HB MET 1 -9.087 -19.428 -19.723 6 2HB MET 1 1HB MET 1 -10.578 -18.724 -19.100 7 1HG MET 1 2HG MET 1 -10.181 -16.817 -20.782 8 2HG MET 1 1HG MET 1 -8.994 -17.883 -21.530 9 1HE MET 1 1HE MET 1 -12.246 -17.771 -23.751 10 2HE MET 1 2HE MET 1 -10.493 -17.860 -23.916 11 3HE MET 1 3HE MET 1 -11.211 -16.601 -22.921 12 H SER 2 H SER 2 -10.468 -18.466 -16.960 13 HA SER 2 HA SER 2 -11.707 -15.823 -16.391 14 1HB SER 2 2HB SER 2 -13.349 -17.255 -15.067 15 2HB SER 2 1HB SER 2 -13.330 -17.532 -16.805 16 HG SER 2 HG SER 2 -13.263 -19.465 -15.470 17 H GLY 3 H GLY 3 -10.254 -18.579 -14.618 18 1HA GLY 3 2HA GLY 3 -9.609 -16.679 -12.391 19 2HA GLY 3 1HA GLY 3 -10.125 -18.338 -12.087 20 H GLY 4 H GLY 4 -7.434 -16.314 -12.753 21 1HA GLY 4 2HA GLY 4 -5.281 -17.562 -11.995 22 2HA GLY 4 1HA GLY 4 -5.684 -18.676 -13.302 23 H THR 5 H THR 5 -5.875 -17.669 -15.521 24 HA THR 5 HA THR 5 -3.815 -15.522 -15.836 25 HB THR 5 HB THR 5 -4.838 -17.365 -18.011 26 HG1 THR 5 HG1 THR 5 -3.702 -18.886 -17.152 27 1HG2 THR 5 1HG2 THR 5 -2.081 -16.232 -17.887 28 2HG2 THR 5 2HG2 THR 5 -3.397 -15.121 -18.265 29 3HG2 THR 5 3HG2 THR 5 -3.112 -16.528 -19.288 30 H ALA 6 H ALA 6 -4.430 -13.571 -16.690 31 HA ALA 6 HA ALA 6 -5.880 -11.869 -17.406 32 1HB ALA 6 1HB ALA 6 -5.718 -12.502 -19.610 33 2HB ALA 6 2HB ALA 6 -7.428 -12.861 -19.380 34 3HB ALA 6 3HB ALA 6 -6.235 -14.157 -19.284 35 H ALA 7 H ALA 7 -6.773 -12.971 -15.061 36 HA ALA 7 HA ALA 7 -9.414 -14.053 -15.081 37 1HB ALA 7 1HB ALA 7 -7.835 -13.998 -13.109 38 2HB ALA 7 2HB ALA 7 -9.487 -13.504 -12.735 39 3HB ALA 7 3HB ALA 7 -8.225 -12.287 -12.926 40 H THR 8 H THR 8 -11.348 -13.112 -15.500 41 HA THR 8 HA THR 8 -11.441 -10.196 -16.007 42 HB THR 8 HB THR 8 -13.922 -10.897 -16.607 43 HG1 THR 8 HG1 THR 8 -14.266 -12.963 -16.667 44 1HG2 THR 8 1HG2 THR 8 -13.188 -11.381 -18.881 45 2HG2 THR 8 2HG2 THR 8 -11.576 -11.800 -18.301 46 3HG2 THR 8 3HG2 THR 8 -12.148 -10.136 -18.185 47 H THR 9 H THR 9 -12.554 -8.757 -14.722 48 HA THR 9 HA THR 9 -13.132 -9.454 -11.997 49 HB THR 9 HB THR 9 -13.961 -7.019 -13.614 50 HG1 THR 9 HG1 THR 9 -12.059 -6.255 -13.099 51 1HG2 THR 9 1HG2 THR 9 -13.633 -6.812 -10.688 52 2HG2 THR 9 2HG2 THR 9 -15.019 -7.771 -11.203 53 3HG2 THR 9 3HG2 THR 9 -14.856 -6.098 -11.736 54 H ALA 10 H ALA 10 -14.742 -10.942 -11.649 55 HA ALA 10 HA ALA 10 -17.438 -10.336 -12.802 56 1HB ALA 10 1HB ALA 10 -17.215 -12.334 -13.861 57 2HB ALA 10 2HB ALA 10 -17.492 -13.044 -12.271 58 3HB ALA 10 3HB ALA 10 -15.845 -12.810 -12.858 59 H GLY 11 H GLY 11 -18.888 -9.875 -11.225 60 1HA GLY 11 2HA GLY 11 -20.021 -10.870 -9.181 61 2HA GLY 11 1HA GLY 11 -18.406 -10.997 -8.488 62 H SER 12 H SER 12 -17.838 -9.360 -7.154 63 HA SER 12 HA SER 12 -18.965 -6.642 -7.658 64 1HB SER 12 2HB SER 12 -19.537 -8.389 -5.411 65 2HB SER 12 1HB SER 12 -18.776 -6.897 -4.865 66 HG SER 12 HG SER 12 -20.787 -6.222 -5.067 67 H LYS 13 H LYS 13 -16.573 -8.495 -5.716 68 HA LYS 13 HA LYS 13 -14.755 -6.119 -5.910 69 1HB LYS 13 2HB LYS 13 -14.806 -8.344 -3.845 70 2HB LYS 13 1HB LYS 13 -13.641 -7.022 -3.884 71 1HG LYS 13 2HG LYS 13 -15.623 -5.427 -3.774 72 2HG LYS 13 1HG LYS 13 -16.628 -6.834 -3.432 73 1HD LYS 13 2HD LYS 13 -14.282 -6.869 -1.744 74 2HD LYS 13 1HD LYS 13 -15.119 -5.327 -1.580 75 1HE LYS 13 2HE LYS 13 -17.148 -6.371 -0.922 76 2HE LYS 13 1HE LYS 13 -16.607 -7.954 -1.479 77 1HZ LYS 13 1HZ LYS 13 -16.055 -8.264 0.650 78 2HZ LYS 13 2HZ LYS 13 -16.098 -6.607 1.019 79 3HZ LYS 13 3HZ LYS 13 -14.707 -7.289 0.319 80 H VAL 14 H VAL 14 -12.385 -6.731 -5.957 81 HA VAL 14 HA VAL 14 -11.979 -9.157 -7.666 82 HB VAL 14 HB VAL 14 -10.006 -7.972 -8.603 83 1HG1 VAL 14 1HG1 VAL 14 -12.303 -7.773 -9.617 84 2HG1 VAL 14 2HG1 VAL 14 -11.236 -6.415 -9.976 85 3HG1 VAL 14 3HG1 VAL 14 -12.493 -6.249 -8.749 86 1HG2 VAL 14 1HG2 VAL 14 -10.143 -5.369 -8.080 87 2HG2 VAL 14 2HG2 VAL 14 -9.217 -6.451 -7.041 88 3HG2 VAL 14 3HG2 VAL 14 -10.832 -5.938 -6.563 89 H THR 15 H THR 15 -10.508 -10.674 -6.994 90 HA THR 15 HA THR 15 -9.132 -10.174 -4.398 91 HB THR 15 HB THR 15 -10.624 -12.170 -4.592 92 HG1 THR 15 HG1 THR 15 -9.220 -12.688 -3.123 93 1HG2 THR 15 1HG2 THR 15 -8.968 -12.596 -6.979 94 2HG2 THR 15 2HG2 THR 15 -10.557 -13.245 -6.582 95 3HG2 THR 15 3HG2 THR 15 -9.105 -14.030 -5.962 96 H PHE 16 H PHE 16 -6.873 -10.925 -4.162 97 HA PHE 16 HA PHE 16 -5.369 -11.134 -6.731 98 1HB PHE 16 2HB PHE 16 -4.723 -9.239 -4.454 99 2HB PHE 16 1HB PHE 16 -3.663 -9.554 -5.825 100 HD1 PHE 16 HD1 PHE 16 -4.740 -9.242 -8.206 101 HD2 PHE 16 HD2 PHE 16 -6.291 -7.506 -4.595 102 HE1 PHE 16 HE1 PHE 16 -5.957 -7.546 -9.544 103 HE2 PHE 16 HE2 PHE 16 -7.508 -5.812 -5.935 104 HZ PHE 16 HZ PHE 16 -7.339 -5.832 -8.407 105 H LYS 17 H LYS 17 -3.548 -12.427 -6.620 106 HA LYS 17 HA LYS 17 -2.961 -13.718 -3.982 107 1HB LYS 17 2HB LYS 17 -3.587 -14.867 -6.601 108 2HB LYS 17 1HB LYS 17 -2.058 -15.466 -5.959 109 1HG LYS 17 2HG LYS 17 -3.056 -16.448 -4.110 110 2HG LYS 17 1HG LYS 17 -4.414 -15.323 -4.116 111 1HD LYS 17 2HD LYS 17 -4.405 -16.810 -6.584 112 2HD LYS 17 1HD LYS 17 -4.333 -17.932 -5.225 113 1HE LYS 17 2HE LYS 17 -6.369 -17.214 -4.346 114 2HE LYS 17 1HE LYS 17 -6.270 -15.639 -5.132 115 1HZ LYS 17 1HZ LYS 17 -6.433 -18.046 -6.806 116 2HZ LYS 17 2HZ LYS 17 -6.997 -16.472 -7.113 117 3HZ LYS 17 3HZ LYS 17 -7.843 -17.489 -6.048 118 H ILE 18 H ILE 18 -1.037 -12.882 -3.299 119 HA ILE 18 HA ILE 18 1.132 -12.527 -5.335 120 HB ILE 18 HB ILE 18 0.732 -10.902 -2.803 121 1HG1 ILE 18 2HG1 ILE 18 0.426 -9.258 -5.060 122 2HG1 ILE 18 1HG1 ILE 18 -0.518 -10.700 -5.429 123 1HG2 ILE 18 1HG2 ILE 18 2.944 -11.252 -4.563 124 2HG2 ILE 18 2HG2 ILE 18 2.792 -10.118 -3.221 125 3HG2 ILE 18 3HG2 ILE 18 2.297 -9.635 -4.843 126 1HD1 ILE 18 1HD1 ILE 18 -2.119 -9.591 -4.221 127 2HD1 ILE 18 2HD1 ILE 18 -0.933 -8.656 -3.311 128 3HD1 ILE 18 3HD1 ILE 18 -1.270 -10.328 -2.861 129 H THR 19 H THR 19 2.915 -13.751 -4.960 130 HA THR 19 HA THR 19 3.337 -14.836 -2.200 131 HB THR 19 HB THR 19 2.740 -16.488 -4.084 132 HG1 THR 19 HG1 THR 19 3.601 -17.637 -2.569 133 1HG2 THR 19 1HG2 THR 19 5.565 -16.578 -4.906 134 2HG2 THR 19 2HG2 THR 19 4.700 -15.151 -5.475 135 3HG2 THR 19 3HG2 THR 19 4.102 -16.759 -5.875 136 H LEU 20 H LEU 20 5.557 -14.933 -1.458 137 HA LEU 20 HA LEU 20 7.178 -12.712 -2.359 138 1HB LEU 20 2HB LEU 20 7.068 -13.807 0.006 139 2HB LEU 20 1HB LEU 20 8.254 -14.940 -0.642 140 HG LEU 20 HG LEU 20 9.611 -12.910 -1.373 141 1HD1 LEU 20 1HD1 LEU 20 7.596 -11.548 0.438 142 2HD1 LEU 20 2HD1 LEU 20 7.862 -11.224 -1.274 143 3HD1 LEU 20 3HD1 LEU 20 9.108 -10.812 -0.096 144 1HD2 LEU 20 1HD2 LEU 20 9.579 -14.306 0.993 145 2HD2 LEU 20 2HD2 LEU 20 9.430 -12.643 1.560 146 3HD2 LEU 20 3HD2 LEU 20 10.802 -13.113 0.555 147 H THR 21 H THR 21 8.835 -12.680 -3.794 148 HA THR 21 HA THR 21 9.398 -15.146 -5.323 149 HB THR 21 HB THR 21 10.682 -13.565 -6.814 150 HG1 THR 21 HG1 THR 21 10.221 -11.310 -6.365 151 1HG2 THR 21 1HG2 THR 21 8.388 -14.083 -7.360 152 2HG2 THR 21 2HG2 THR 21 8.617 -12.349 -7.593 153 3HG2 THR 21 3HG2 THR 21 7.793 -12.944 -6.152 154 H SER 22 H SER 22 10.915 -13.125 -2.911 155 HA SER 22 HA SER 22 13.654 -13.800 -3.378 156 1HB SER 22 2HB SER 22 12.151 -12.393 -1.385 157 2HB SER 22 1HB SER 22 13.211 -13.536 -0.568 158 HG SER 22 HG SER 22 14.500 -11.831 -0.904 159 H ASP 23 H ASP 23 11.270 -15.281 -1.131 160 HA ASP 23 HA ASP 23 12.803 -17.825 -1.358 161 1HB ASP 23 2HB ASP 23 12.489 -18.161 1.126 162 2HB ASP 23 1HB ASP 23 13.609 -16.867 0.704 163 HA PRO 24 HA PRO 24 8.793 -19.606 -1.679 164 1HB PRO 24 2HB PRO 24 9.471 -22.199 -1.059 165 2HB PRO 24 1HB PRO 24 9.847 -21.426 -2.609 166 1HG PRO 24 2HG PRO 24 11.671 -22.069 -0.346 167 2HG PRO 24 1HG PRO 24 12.044 -21.872 -2.066 168 1HD PRO 24 2HD PRO 24 12.500 -19.956 -0.020 169 2HD PRO 24 1HD PRO 24 12.612 -19.675 -1.771 170 H LYS 25 H LYS 25 10.406 -19.330 1.323 171 HA LYS 25 HA LYS 25 8.854 -20.947 3.068 172 1HB LYS 25 2HB LYS 25 10.933 -19.189 3.396 173 2HB LYS 25 1HB LYS 25 9.602 -18.282 4.114 174 1HG LYS 25 2HG LYS 25 9.095 -20.095 5.631 175 2HG LYS 25 1HG LYS 25 10.243 -21.159 4.821 176 1HD LYS 25 2HD LYS 25 12.068 -20.171 5.799 177 2HD LYS 25 1HD LYS 25 11.322 -18.574 5.828 178 1HE LYS 25 2HE LYS 25 9.699 -19.917 7.561 179 2HE LYS 25 1HE LYS 25 11.233 -20.736 7.849 180 1HZ LYS 25 1HZ LYS 25 12.254 -18.507 8.119 181 2HZ LYS 25 2HZ LYS 25 11.088 -18.872 9.300 182 3HZ LYS 25 3HZ LYS 25 10.704 -17.820 8.025 183 H LEU 26 H LEU 26 8.410 -17.441 2.389 184 HA LEU 26 HA LEU 26 5.841 -17.287 3.667 185 1HB LEU 26 2HB LEU 26 7.374 -15.548 1.756 186 2HB LEU 26 1HB LEU 26 5.678 -15.187 2.077 187 HG LEU 26 HG LEU 26 7.347 -15.747 4.466 188 1HD1 LEU 26 1HD1 LEU 26 7.602 -13.119 2.977 189 2HD1 LEU 26 2HD1 LEU 26 8.843 -14.372 2.983 190 3HD1 LEU 26 3HD1 LEU 26 8.397 -13.567 4.487 191 1HD2 LEU 26 1HD2 LEU 26 5.946 -14.052 5.433 192 2HD2 LEU 26 2HD2 LEU 26 4.901 -15.041 4.411 193 3HD2 LEU 26 3HD2 LEU 26 5.454 -13.464 3.844 194 HA PRO 27 HA PRO 27 3.581 -19.364 0.429 195 1HB PRO 27 2HB PRO 27 1.148 -19.227 1.704 196 2HB PRO 27 1HB PRO 27 2.396 -20.422 2.091 197 1HG PRO 27 2HG PRO 27 1.590 -17.985 3.613 198 2HG PRO 27 1HG PRO 27 2.303 -19.496 4.206 199 1HD PRO 27 2HD PRO 27 3.691 -17.069 3.811 200 2HD PRO 27 1HD PRO 27 4.434 -18.666 4.043 201 H PHE 28 H PHE 28 1.145 -18.828 -0.469 202 HA PHE 28 HA PHE 28 1.364 -16.277 -1.802 203 1HB PHE 28 2HB PHE 28 -0.395 -18.614 -1.895 204 2HB PHE 28 1HB PHE 28 -1.266 -17.104 -2.147 205 HD1 PHE 28 HD1 PHE 28 1.085 -19.487 -3.558 206 HD2 PHE 28 HD2 PHE 28 -0.502 -15.514 -3.946 207 HE1 PHE 28 HE1 PHE 28 1.952 -19.367 -5.877 208 HE2 PHE 28 HE2 PHE 28 0.365 -15.393 -6.265 209 HZ PHE 28 HZ PHE 28 1.592 -17.320 -7.232 210 H LYS 29 H LYS 29 -0.277 -14.569 -1.728 211 HA LYS 29 HA LYS 29 -1.547 -14.265 0.967 212 1HB LYS 29 2HB LYS 29 0.423 -12.609 -0.333 213 2HB LYS 29 1HB LYS 29 -1.075 -11.697 -0.163 214 1HG LYS 29 2HG LYS 29 -0.294 -11.283 1.938 215 2HG LYS 29 1HG LYS 29 -0.943 -12.886 2.284 216 1HD LYS 29 2HD LYS 29 1.648 -13.232 1.133 217 2HD LYS 29 1HD LYS 29 1.784 -12.016 2.404 218 1HE LYS 29 2HE LYS 29 0.852 -13.495 4.043 219 2HE LYS 29 1HE LYS 29 0.351 -14.651 2.811 220 1HZ LYS 29 1HZ LYS 29 2.902 -14.326 4.079 221 2HZ LYS 29 2HZ LYS 29 3.025 -14.382 2.387 222 3HZ LYS 29 3HZ LYS 29 2.277 -15.654 3.230 223 H VAL 30 H VAL 30 -3.734 -14.127 0.792 224 HA VAL 30 HA VAL 30 -4.911 -13.447 -1.856 225 HB VAL 30 HB VAL 30 -6.246 -14.589 0.622 226 1HG1 VAL 30 1HG1 VAL 30 -7.169 -14.206 -2.242 227 2HG1 VAL 30 2HG1 VAL 30 -7.858 -13.470 -0.794 228 3HG1 VAL 30 3HG1 VAL 30 -8.021 -15.205 -1.064 229 1HG2 VAL 30 1HG2 VAL 30 -4.921 -15.836 -1.776 230 2HG2 VAL 30 2HG2 VAL 30 -6.290 -16.649 -1.017 231 3HG2 VAL 30 3HG2 VAL 30 -4.832 -16.317 -0.081 232 H LEU 31 H LEU 31 -5.568 -11.395 -2.162 233 HA LEU 31 HA LEU 31 -6.475 -9.809 0.213 234 1HB LEU 31 2HB LEU 31 -4.440 -9.250 -1.753 235 2HB LEU 31 1HB LEU 31 -5.729 -8.056 -1.897 236 HG LEU 31 HG LEU 31 -5.144 -8.571 0.893 237 1HD1 LEU 31 1HD1 LEU 31 -2.875 -7.857 1.030 238 2HD1 LEU 31 2HD1 LEU 31 -2.833 -7.413 -0.677 239 3HD1 LEU 31 3HD1 LEU 31 -2.891 -9.113 -0.208 240 1HD2 LEU 31 1HD2 LEU 31 -4.637 -6.051 -0.701 241 2HD2 LEU 31 2HD2 LEU 31 -5.104 -6.192 0.994 242 3HD2 LEU 31 3HD2 LEU 31 -6.267 -6.574 -0.276 243 H SER 32 H SER 32 -8.683 -9.839 0.071 244 HA SER 32 HA SER 32 -9.962 -9.573 -2.603 245 1HB SER 32 2HB SER 32 -10.783 -10.686 0.026 246 2HB SER 32 1HB SER 32 -12.048 -9.887 -0.904 247 HG SER 32 HG SER 32 -11.621 -12.219 -1.310 248 H VAL 33 H VAL 33 -10.102 -7.448 -3.167 249 HA VAL 33 HA VAL 33 -11.420 -5.589 -1.236 250 HB VAL 33 HB VAL 33 -9.925 -3.759 -2.142 251 1HG1 VAL 33 1HG1 VAL 33 -9.321 -4.436 0.009 252 2HG1 VAL 33 2HG1 VAL 33 -7.830 -4.722 -0.890 253 3HG1 VAL 33 3HG1 VAL 33 -8.904 -6.069 -0.512 254 1HG2 VAL 33 1HG2 VAL 33 -9.262 -5.190 -4.174 255 2HG2 VAL 33 2HG2 VAL 33 -8.161 -6.031 -3.083 256 3HG2 VAL 33 3HG2 VAL 33 -7.961 -4.304 -3.378 257 HA PRO 34 HA PRO 34 -13.964 -4.570 -4.673 258 1HB PRO 34 2HB PRO 34 -14.641 -1.985 -4.012 259 2HB PRO 34 1HB PRO 34 -15.316 -3.415 -3.213 260 1HG PRO 34 2HG PRO 34 -13.258 -1.499 -2.212 261 2HG PRO 34 1HG PRO 34 -14.413 -2.485 -1.298 262 1HD PRO 34 2HD PRO 34 -11.675 -3.067 -1.634 263 2HD PRO 34 1HD PRO 34 -12.914 -4.210 -1.074 264 H GLU 35 H GLU 35 -14.117 -3.114 -6.570 265 HA GLU 35 HA GLU 35 -11.627 -2.498 -7.775 266 1HB GLU 35 2HB GLU 35 -13.694 -2.845 -9.066 267 2HB GLU 35 1HB GLU 35 -14.368 -1.359 -8.405 268 1HG GLU 35 2HG GLU 35 -11.730 -0.910 -9.563 269 2HG GLU 35 1HG GLU 35 -12.848 -1.592 -10.742 270 H SER 36 H SER 36 -13.784 -0.481 -5.818 271 HA SER 36 HA SER 36 -12.703 2.078 -6.352 272 1HB SER 36 2HB SER 36 -13.438 2.623 -3.988 273 2HB SER 36 1HB SER 36 -14.685 1.902 -4.999 274 HG SER 36 HG SER 36 -14.036 1.058 -2.699 275 H THR 37 H THR 37 -11.568 -0.424 -4.068 276 HA THR 37 HA THR 37 -9.464 1.148 -2.903 277 HB THR 37 HB THR 37 -9.797 -1.854 -3.202 278 HG1 THR 37 HG1 THR 37 -11.288 -1.049 -1.824 279 1HG2 THR 37 1HG2 THR 37 -8.057 -1.996 -1.417 280 2HG2 THR 37 2HG2 THR 37 -7.772 -0.265 -1.600 281 3HG2 THR 37 3HG2 THR 37 -7.424 -1.362 -2.937 282 HA PRO 38 HA PRO 38 -6.816 1.115 -6.491 283 1HB PRO 38 2HB PRO 38 -4.866 2.689 -5.362 284 2HB PRO 38 1HB PRO 38 -6.379 3.326 -6.029 285 1HG PRO 38 2HG PRO 38 -5.577 2.997 -3.177 286 2HG PRO 38 1HG PRO 38 -6.723 4.139 -3.895 287 1HD PRO 38 2HD PRO 38 -7.392 1.765 -2.503 288 2HD PRO 38 1HD PRO 38 -8.495 2.746 -3.491 289 H PHE 39 H PHE 39 -4.520 0.477 -6.953 290 HA PHE 39 HA PHE 39 -3.765 -1.921 -5.559 291 1HB PHE 39 2HB PHE 39 -3.226 -1.092 -8.010 292 2HB PHE 39 1HB PHE 39 -1.794 -0.410 -7.242 293 HD1 PHE 39 HD1 PHE 39 -3.778 -3.606 -7.082 294 HD2 PHE 39 HD2 PHE 39 0.100 -1.763 -7.248 295 HE1 PHE 39 HE1 PHE 39 -2.712 -5.844 -7.083 296 HE2 PHE 39 HE2 PHE 39 1.163 -4.001 -7.249 297 HZ PHE 39 HZ PHE 39 -0.242 -6.042 -7.166 298 H THR 40 H THR 40 -3.100 1.419 -4.922 299 HA THR 40 HA THR 40 -0.568 1.211 -3.608 300 HB THR 40 HB THR 40 -1.369 3.256 -2.323 301 HG1 THR 40 HG1 THR 40 -3.414 3.651 -2.336 302 1HG2 THR 40 1HG2 THR 40 -0.183 3.609 -4.373 303 2HG2 THR 40 2HG2 THR 40 -1.596 4.664 -4.419 304 3HG2 THR 40 3HG2 THR 40 -1.592 3.158 -5.336 305 H ALA 41 H ALA 41 -3.907 0.880 -2.391 306 HA ALA 41 HA ALA 41 -3.075 0.222 0.320 307 1HB ALA 41 1HB ALA 41 -5.270 1.182 0.014 308 2HB ALA 41 2HB ALA 41 -5.498 -0.483 0.552 309 3HB ALA 41 3HB ALA 41 -5.712 -0.068 -1.150 310 H VAL 42 H VAL 42 -4.005 -1.619 -2.581 311 HA VAL 42 HA VAL 42 -4.119 -4.210 -1.372 312 HB VAL 42 HB VAL 42 -3.324 -3.423 -4.198 313 1HG1 VAL 42 1HG1 VAL 42 -2.650 -5.624 -4.182 314 2HG1 VAL 42 2HG1 VAL 42 -4.373 -5.886 -4.457 315 3HG1 VAL 42 3HG1 VAL 42 -3.704 -6.048 -2.834 316 1HG2 VAL 42 1HG2 VAL 42 -5.973 -4.297 -2.996 317 2HG2 VAL 42 2HG2 VAL 42 -5.683 -4.011 -4.712 318 3HG2 VAL 42 3HG2 VAL 42 -5.581 -2.674 -3.566 319 H LEU 43 H LEU 43 -1.408 -2.463 -2.911 320 HA LEU 43 HA LEU 43 0.551 -4.530 -2.497 321 1HB LEU 43 2HB LEU 43 0.653 -2.448 -4.048 322 2HB LEU 43 1HB LEU 43 1.208 -1.586 -2.612 323 HG LEU 43 HG LEU 43 2.599 -4.133 -2.973 324 1HD1 LEU 43 1HD1 LEU 43 2.892 -2.011 -5.121 325 2HD1 LEU 43 2HD1 LEU 43 2.205 -3.618 -5.358 326 3HD1 LEU 43 3HD1 LEU 43 3.910 -3.439 -4.941 327 1HD2 LEU 43 1HD2 LEU 43 3.155 -2.056 -1.526 328 2HD2 LEU 43 2HD2 LEU 43 3.760 -1.344 -3.021 329 3HD2 LEU 43 3HD2 LEU 43 4.486 -2.823 -2.392 330 H LYS 44 H LYS 44 -0.496 -1.751 -0.541 331 HA LYS 44 HA LYS 44 1.560 -1.906 1.445 332 1HB LYS 44 2HB LYS 44 -0.975 -0.513 1.089 333 2HB LYS 44 1HB LYS 44 -0.736 -1.009 2.765 334 1HG LYS 44 2HG LYS 44 1.560 -0.002 2.674 335 2HG LYS 44 1HG LYS 44 1.179 0.614 1.066 336 1HD LYS 44 2HD LYS 44 -1.005 1.440 2.531 337 2HD LYS 44 1HD LYS 44 0.306 1.589 3.701 338 1HE LYS 44 2HE LYS 44 0.607 3.618 2.688 339 2HE LYS 44 1HE LYS 44 1.515 2.657 1.526 340 1HZ LYS 44 1HZ LYS 44 0.106 3.469 0.028 341 2HZ LYS 44 2HZ LYS 44 -0.981 4.031 1.206 342 3HZ LYS 44 3HZ LYS 44 -1.057 2.419 0.678 343 H PHE 45 H PHE 45 -1.694 -3.393 1.309 344 HA PHE 45 HA PHE 45 -1.495 -4.716 3.854 345 1HB PHE 45 2HB PHE 45 -3.512 -4.353 2.062 346 2HB PHE 45 1HB PHE 45 -3.097 -6.033 1.732 347 HD1 PHE 45 HD1 PHE 45 -4.161 -7.669 3.004 348 HD2 PHE 45 HD2 PHE 45 -3.568 -3.761 4.693 349 HE1 PHE 45 HE1 PHE 45 -5.370 -8.368 5.052 350 HE2 PHE 45 HE2 PHE 45 -4.776 -4.463 6.740 351 HZ PHE 45 HZ PHE 45 -5.677 -6.766 6.920 352 H ALA 46 H ALA 46 -0.790 -5.801 0.519 353 HA ALA 46 HA ALA 46 -0.054 -8.483 1.183 354 1HB ALA 46 1HB ALA 46 1.022 -8.547 -0.996 355 2HB ALA 46 2HB ALA 46 1.070 -6.785 -1.067 356 3HB ALA 46 3HB ALA 46 -0.478 -7.628 -1.142 357 H ALA 47 H ALA 47 1.921 -5.516 0.871 358 HA ALA 47 HA ALA 47 4.435 -6.748 1.505 359 1HB ALA 47 1HB ALA 47 4.425 -4.048 2.441 360 2HB ALA 47 2HB ALA 47 3.470 -4.106 0.960 361 3HB ALA 47 3HB ALA 47 5.137 -4.681 0.956 362 H GLU 48 H GLU 48 1.875 -5.332 3.515 363 HA GLU 48 HA GLU 48 3.257 -5.275 6.005 364 1HB GLU 48 2HB GLU 48 1.021 -4.241 5.600 365 2HB GLU 48 1HB GLU 48 0.314 -5.853 5.526 366 1HG GLU 48 2HG GLU 48 1.947 -5.522 7.914 367 2HG GLU 48 1HG GLU 48 0.675 -4.304 7.830 368 H GLU 49 H GLU 49 1.306 -7.865 4.495 369 HA GLU 49 HA GLU 49 1.739 -9.762 6.640 370 1HB GLU 49 2HB GLU 49 0.666 -9.900 3.839 371 2HB GLU 49 1HB GLU 49 1.082 -11.399 4.669 372 1HG GLU 49 2HG GLU 49 -1.052 -11.234 5.470 373 2HG GLU 49 1HG GLU 49 -0.305 -10.143 6.636 374 H PHE 50 H PHE 50 3.505 -8.892 3.720 375 HA PHE 50 HA PHE 50 5.260 -11.238 3.820 376 1HB PHE 50 2HB PHE 50 5.043 -8.778 2.122 377 2HB PHE 50 1HB PHE 50 6.560 -9.675 2.126 378 HD1 PHE 50 HD1 PHE 50 5.970 -12.423 2.222 379 HD2 PHE 50 HD2 PHE 50 3.696 -9.323 0.305 380 HE1 PHE 50 HE1 PHE 50 4.981 -14.097 0.686 381 HE2 PHE 50 HE2 PHE 50 2.707 -10.999 -1.230 382 HZ PHE 50 HZ PHE 50 3.352 -13.385 -1.038 383 H LYS 51 H LYS 51 5.104 -8.453 5.686 384 HA LYS 51 HA LYS 51 6.585 -7.495 7.215 385 1HB LYS 51 2HB LYS 51 7.692 -10.166 6.686 386 2HB LYS 51 1HB LYS 51 8.917 -8.995 7.167 387 1HG LYS 51 2HG LYS 51 8.259 -9.357 9.296 388 2HG LYS 51 1HG LYS 51 6.785 -8.479 8.890 389 1HD LYS 51 2HD LYS 51 6.295 -11.005 7.863 390 2HD LYS 51 1HD LYS 51 7.174 -11.350 9.352 391 1HE LYS 51 2HE LYS 51 5.377 -10.817 10.601 392 2HE LYS 51 1HE LYS 51 5.243 -9.247 9.812 393 1HZ LYS 51 1HZ LYS 51 4.176 -10.495 7.914 394 2HZ LYS 51 2HZ LYS 51 3.259 -10.373 9.339 395 3HZ LYS 51 3HZ LYS 51 4.058 -11.824 8.962 396 H VAL 52 H VAL 52 6.545 -6.604 4.478 397 HA VAL 52 HA VAL 52 9.327 -5.529 4.272 398 HB VAL 52 HB VAL 52 9.029 -5.550 1.766 399 1HG1 VAL 52 1HG1 VAL 52 10.369 -7.269 2.900 400 2HG1 VAL 52 2HG1 VAL 52 9.503 -7.968 1.531 401 3HG1 VAL 52 3HG1 VAL 52 8.919 -8.235 3.173 402 1HG2 VAL 52 1HG2 VAL 52 7.071 -6.174 0.840 403 2HG2 VAL 52 2HG2 VAL 52 6.385 -6.259 2.462 404 3HG2 VAL 52 3HG2 VAL 52 7.087 -7.699 1.725 405 HA PRO 53 HA PRO 53 7.334 -1.616 4.034 406 1HB PRO 53 2HB PRO 53 9.228 -0.216 2.614 407 2HB PRO 53 1HB PRO 53 9.400 -0.658 4.321 408 1HG PRO 53 2HG PRO 53 10.733 -1.845 1.930 409 2HG PRO 53 1HG PRO 53 11.294 -1.779 3.609 410 1HD PRO 53 2HD PRO 53 10.157 -4.032 2.334 411 2HD PRO 53 1HD PRO 53 10.400 -3.836 4.083 412 H ALA 54 H ALA 54 5.669 -1.013 2.742 413 HA ALA 54 HA ALA 54 5.310 -1.955 0.056 414 1HB ALA 54 1HB ALA 54 3.710 -0.727 1.987 415 2HB ALA 54 2HB ALA 54 3.205 -1.197 0.363 416 3HB ALA 54 3HB ALA 54 3.769 0.446 0.671 417 H ALA 55 H ALA 55 6.486 1.131 1.364 418 HA ALA 55 HA ALA 55 6.526 2.598 -1.089 419 1HB ALA 55 1HB ALA 55 7.275 3.058 1.585 420 2HB ALA 55 2HB ALA 55 7.285 4.228 0.266 421 3HB ALA 55 3HB ALA 55 8.743 3.307 0.639 422 H THR 56 H THR 56 8.885 0.364 0.358 423 HA THR 56 HA THR 56 10.636 0.740 -2.033 424 HB THR 56 HB THR 56 11.425 -0.814 0.430 425 HG1 THR 56 HG1 THR 56 11.590 1.990 0.041 426 1HG2 THR 56 1HG2 THR 56 13.636 0.437 -0.375 427 2HG2 THR 56 2HG2 THR 56 12.760 0.483 -1.906 428 3HG2 THR 56 3HG2 THR 56 13.104 -1.064 -1.131 429 H SER 57 H SER 57 8.251 -0.741 -2.384 430 HA SER 57 HA SER 57 9.398 -3.368 -3.110 431 1HB SER 57 2HB SER 57 7.472 -2.979 -0.945 432 2HB SER 57 1HB SER 57 6.896 -4.103 -2.166 433 HG SER 57 HG SER 57 8.108 -5.299 -0.780 434 H ALA 58 H ALA 58 8.014 -4.549 -4.612 435 HA ALA 58 HA ALA 58 5.854 -2.982 -5.916 436 1HB ALA 58 1HB ALA 58 8.476 -3.770 -7.137 437 2HB ALA 58 2HB ALA 58 7.510 -2.318 -7.402 438 3HB ALA 58 3HB ALA 58 7.031 -3.843 -8.146 439 H ILE 59 H ILE 59 4.711 -4.435 -7.584 440 HA ILE 59 HA ILE 59 4.882 -7.302 -6.740 441 HB ILE 59 HB ILE 59 2.480 -5.503 -7.020 442 1HG1 ILE 59 2HG1 ILE 59 3.131 -7.697 -5.030 443 2HG1 ILE 59 1HG1 ILE 59 3.629 -6.019 -4.811 444 1HG2 ILE 59 1HG2 ILE 59 1.687 -7.213 -8.396 445 2HG2 ILE 59 2HG2 ILE 59 1.213 -7.809 -6.805 446 3HG2 ILE 59 3HG2 ILE 59 2.656 -8.449 -7.592 447 1HD1 ILE 59 1HD1 ILE 59 0.840 -7.161 -4.858 448 2HD1 ILE 59 2HD1 ILE 59 1.121 -5.453 -5.194 449 3HD1 ILE 59 3HD1 ILE 59 1.591 -6.134 -3.637 450 H ILE 60 H ILE 60 5.466 -8.519 -8.457 451 HA ILE 60 HA ILE 60 4.892 -7.508 -11.195 452 HB ILE 60 HB ILE 60 6.506 -9.227 -11.948 453 1HG1 ILE 60 2HG1 ILE 60 7.533 -9.844 -9.273 454 2HG1 ILE 60 1HG1 ILE 60 5.901 -10.461 -9.525 455 1HG2 ILE 60 1HG2 ILE 60 8.421 -8.268 -10.245 456 2HG2 ILE 60 2HG2 ILE 60 7.140 -7.074 -10.031 457 3HG2 ILE 60 3HG2 ILE 60 7.797 -7.384 -11.637 458 1HD1 ILE 60 1HD1 ILE 60 8.375 -11.485 -10.565 459 2HD1 ILE 60 2HD1 ILE 60 7.355 -10.978 -11.911 460 3HD1 ILE 60 3HD1 ILE 60 6.752 -12.151 -10.741 461 H THR 61 H THR 61 4.310 -9.313 -12.822 462 HA THR 61 HA THR 61 2.077 -10.890 -11.652 463 HB THR 61 HB THR 61 1.331 -11.156 -14.001 464 HG1 THR 61 HG1 THR 61 2.565 -10.564 -15.612 465 1HG2 THR 61 1HG2 THR 61 0.257 -9.268 -13.387 466 2HG2 THR 61 2HG2 THR 61 1.457 -8.422 -14.363 467 3HG2 THR 61 3HG2 THR 61 1.695 -8.594 -12.624 468 H ASN 62 H ASN 62 1.731 -13.103 -12.759 469 HA ASN 62 HA ASN 62 4.041 -14.756 -12.271 470 1HB ASN 62 2HB ASN 62 1.228 -15.145 -13.030 471 2HB ASN 62 1HB ASN 62 2.315 -16.337 -13.743 472 1HD2 ASN 62 1HD2 ASN 62 1.663 -14.781 -10.542 473 2HD2 ASN 62 2HD2 ASN 62 2.018 -16.171 -9.636 474 H ASP 63 H ASP 63 2.806 -13.153 -15.126 475 HA ASP 63 HA ASP 63 4.330 -14.791 -17.017 476 1HB ASP 63 2HB ASP 63 2.908 -12.127 -17.346 477 2HB ASP 63 1HB ASP 63 3.631 -13.046 -18.666 478 H GLY 64 H GLY 64 4.559 -11.381 -15.901 479 1HA GLY 64 2HA GLY 64 7.132 -11.070 -15.196 480 2HA GLY 64 1HA GLY 64 7.325 -11.228 -16.943 481 H VAL 65 H VAL 65 5.042 -9.483 -14.790 482 HA VAL 65 HA VAL 65 5.701 -6.977 -16.284 483 HB VAL 65 HB VAL 65 2.932 -7.833 -15.375 484 1HG1 VAL 65 1HG1 VAL 65 2.543 -5.608 -15.463 485 2HG1 VAL 65 2HG1 VAL 65 2.727 -5.754 -17.211 486 3HG1 VAL 65 3HG1 VAL 65 4.107 -5.288 -16.215 487 1HG2 VAL 65 1HG2 VAL 65 4.365 -7.937 -18.018 488 2HG2 VAL 65 2HG2 VAL 65 2.621 -7.676 -17.985 489 3HG2 VAL 65 3HG2 VAL 65 3.308 -9.140 -17.280 490 H GLY 66 H GLY 66 6.518 -5.535 -14.857 491 1HA GLY 66 2HA GLY 66 6.276 -5.890 -11.986 492 2HA GLY 66 1HA GLY 66 7.097 -4.559 -12.797 493 H VAL 67 H VAL 67 4.002 -5.723 -11.633 494 HA VAL 67 HA VAL 67 2.464 -3.391 -12.410 495 HB VAL 67 HB VAL 67 1.858 -5.318 -10.147 496 1HG1 VAL 67 1HG1 VAL 67 -0.207 -4.376 -10.085 497 2HG1 VAL 67 2HG1 VAL 67 -0.292 -4.219 -11.839 498 3HG1 VAL 67 3HG1 VAL 67 0.569 -3.011 -10.886 499 1HG2 VAL 67 1HG2 VAL 67 0.382 -5.998 -12.453 500 2HG2 VAL 67 2HG2 VAL 67 1.676 -6.934 -11.709 501 3HG2 VAL 67 3HG2 VAL 67 2.046 -5.790 -12.999 502 H ASN 68 H ASN 68 2.272 -1.461 -11.364 503 HA ASN 68 HA ASN 68 3.692 -1.155 -8.749 504 1HB ASN 68 2HB ASN 68 3.168 0.777 -11.017 505 2HB ASN 68 1HB ASN 68 3.692 1.321 -9.423 506 1HD2 ASN 68 1HD2 ASN 68 4.780 -0.047 -12.420 507 2HD2 ASN 68 2HD2 ASN 68 6.393 -0.305 -11.960 508 HA PRO 69 HA PRO 69 -0.082 0.041 -6.822 509 1HB PRO 69 2HB PRO 69 0.876 1.822 -4.955 510 2HB PRO 69 1HB PRO 69 1.083 0.067 -4.831 511 1HG PRO 69 2HG PRO 69 3.090 2.146 -5.558 512 2HG PRO 69 1HG PRO 69 3.340 0.546 -4.836 513 1HD PRO 69 2HD PRO 69 3.746 1.230 -7.558 514 2HD PRO 69 1HD PRO 69 3.696 -0.413 -6.886 515 H ALA 70 H ALA 70 -0.383 1.227 -9.082 516 HA ALA 70 HA ALA 70 -0.884 4.119 -8.510 517 1HB ALA 70 1HB ALA 70 -0.475 3.894 -11.286 518 2HB ALA 70 2HB ALA 70 0.823 2.957 -10.546 519 3HB ALA 70 3HB ALA 70 0.605 4.653 -10.115 520 H GLN 71 H GLN 71 -1.784 1.281 -10.482 521 HA GLN 71 HA GLN 71 -4.258 2.558 -11.417 522 1HB GLN 71 2HB GLN 71 -3.152 -0.250 -11.699 523 2HB GLN 71 1HB GLN 71 -4.682 0.268 -12.402 524 1HG GLN 71 2HG GLN 71 -3.399 0.823 -14.202 525 2HG GLN 71 1HG GLN 71 -3.020 2.263 -13.255 526 1HE2 GLN 71 1HE2 GLN 71 -1.819 -1.044 -13.981 527 2HE2 GLN 71 2HE2 GLN 71 -0.199 -0.703 -13.607 528 HA PRO 72 HA PRO 72 -6.935 1.075 -8.250 529 1HB PRO 72 2HB PRO 72 -9.227 0.616 -9.702 530 2HB PRO 72 1HB PRO 72 -8.637 2.233 -9.281 531 1HG PRO 72 2HG PRO 72 -8.545 0.828 -11.909 532 2HG PRO 72 1HG PRO 72 -8.578 2.565 -11.566 533 1HD PRO 72 2HD PRO 72 -6.291 1.066 -12.285 534 2HD PRO 72 1HD PRO 72 -6.291 2.710 -11.610 535 H ALA 73 H ALA 73 -8.021 -0.855 -7.430 536 HA ALA 73 HA ALA 73 -6.828 -3.331 -8.079 537 1HB ALA 73 1HB ALA 73 -9.418 -2.660 -6.674 538 2HB ALA 73 2HB ALA 73 -7.880 -3.135 -5.953 539 3HB ALA 73 3HB ALA 73 -8.842 -4.318 -6.838 540 H GLY 74 H GLY 74 -9.908 -1.952 -9.244 541 1HA GLY 74 2HA GLY 74 -10.869 -4.227 -10.645 542 2HA GLY 74 1HA GLY 74 -11.252 -2.560 -11.068 543 H ASN 75 H ASN 75 -8.780 -1.555 -11.808 544 HA ASN 75 HA ASN 75 -8.459 -2.629 -14.465 545 1HB ASN 75 2HB ASN 75 -7.725 -0.275 -13.140 546 2HB ASN 75 1HB ASN 75 -6.191 -1.038 -13.557 547 1HD2 ASN 75 1HD2 ASN 75 -9.332 -0.057 -15.022 548 2HD2 ASN 75 2HD2 ASN 75 -8.700 0.175 -16.581 549 H ILE 76 H ILE 76 -6.566 -2.956 -11.465 550 HA ILE 76 HA ILE 76 -4.325 -4.342 -12.571 551 HB ILE 76 HB ILE 76 -5.573 -4.548 -9.809 552 1HG1 ILE 76 2HG1 ILE 76 -4.770 -2.274 -10.572 553 2HG1 ILE 76 1HG1 ILE 76 -3.935 -2.895 -9.152 554 1HG2 ILE 76 1HG2 ILE 76 -4.017 -6.085 -9.280 555 2HG2 ILE 76 2HG2 ILE 76 -2.730 -5.055 -9.907 556 3HG2 ILE 76 3HG2 ILE 76 -3.571 -6.168 -10.985 557 1HD1 ILE 76 1HD1 ILE 76 -1.963 -3.268 -10.305 558 2HD1 ILE 76 2HD1 ILE 76 -2.579 -1.882 -11.202 559 3HD1 ILE 76 3HD1 ILE 76 -2.785 -3.510 -11.846 560 H PHE 77 H PHE 77 -7.457 -5.522 -11.349 561 HA PHE 77 HA PHE 77 -6.819 -8.327 -11.726 562 1HB PHE 77 2HB PHE 77 -8.644 -7.249 -10.217 563 2HB PHE 77 1HB PHE 77 -9.616 -7.197 -11.686 564 HD1 PHE 77 HD1 PHE 77 -10.622 -9.169 -12.579 565 HD2 PHE 77 HD2 PHE 77 -7.748 -9.465 -9.397 566 HE1 PHE 77 HE1 PHE 77 -11.189 -11.565 -12.284 567 HE2 PHE 77 HE2 PHE 77 -8.318 -11.860 -9.107 568 HZ PHE 77 HZ PHE 77 -10.038 -12.909 -10.550 569 H LEU 78 H LEU 78 -8.432 -5.840 -13.691 570 HA LEU 78 HA LEU 78 -9.366 -7.612 -15.761 571 1HB LEU 78 2HB LEU 78 -8.825 -4.643 -15.643 572 2HB LEU 78 1HB LEU 78 -9.356 -5.422 -17.134 573 HG LEU 78 HG LEU 78 -10.845 -5.805 -14.533 574 1HD1 LEU 78 1HD1 LEU 78 -11.193 -3.626 -16.613 575 2HD1 LEU 78 2HD1 LEU 78 -10.814 -3.409 -14.903 576 3HD1 LEU 78 3HD1 LEU 78 -12.398 -4.019 -15.386 577 1HD2 LEU 78 1HD2 LEU 78 -12.634 -5.881 -16.612 578 2HD2 LEU 78 2HD2 LEU 78 -11.839 -7.303 -15.937 579 3HD2 LEU 78 3HD2 LEU 78 -11.184 -6.529 -17.381 580 H LYS 79 H LYS 79 -6.347 -5.753 -15.365 581 HA LYS 79 HA LYS 79 -5.349 -6.649 -17.986 582 1HB LYS 79 2HB LYS 79 -4.710 -4.557 -16.100 583 2HB LYS 79 1HB LYS 79 -3.255 -5.469 -16.497 584 1HG LYS 79 2HG LYS 79 -3.144 -4.320 -18.429 585 2HG LYS 79 1HG LYS 79 -4.612 -5.148 -18.941 586 1HD LYS 79 2HD LYS 79 -5.248 -2.992 -17.108 587 2HD LYS 79 1HD LYS 79 -4.310 -2.391 -18.475 588 1HE LYS 79 2HE LYS 79 -5.883 -3.297 -20.057 589 2HE LYS 79 1HE LYS 79 -6.737 -4.175 -18.790 590 1HZ LYS 79 1HZ LYS 79 -7.689 -1.952 -19.602 591 2HZ LYS 79 2HZ LYS 79 -6.467 -1.239 -18.662 592 3HZ LYS 79 3HZ LYS 79 -7.631 -2.238 -17.932 593 H HIS 80 H HIS 80 -4.221 -7.005 -14.593 594 HA HIS 80 HA HIS 80 -2.447 -9.213 -15.436 595 1HB HIS 80 2HB HIS 80 -2.851 -8.212 -12.612 596 2HB HIS 80 1HB HIS 80 -1.449 -9.042 -13.284 597 HD1 HIS 80 HD1 HIS 80 -0.320 -7.600 -15.420 598 HD2 HIS 80 HD2 HIS 80 -2.503 -5.478 -12.571 599 HE1 HIS 80 HE1 HIS 80 0.345 -5.170 -15.672 600 H GLY 81 H GLY 81 -4.994 -8.785 -12.932 601 1HA GLY 81 2HA GLY 81 -6.841 -10.451 -12.850 602 2HA GLY 81 1HA GLY 81 -5.662 -11.680 -13.306 603 H SER 82 H SER 82 -5.388 -12.997 -11.565 604 HA SER 82 HA SER 82 -5.133 -11.730 -8.864 605 1HB SER 82 2HB SER 82 -6.950 -13.598 -9.559 606 2HB SER 82 1HB SER 82 -5.620 -14.658 -9.106 607 HG SER 82 HG SER 82 -6.894 -14.159 -7.300 608 H GLU 83 H GLU 83 -3.768 -14.249 -11.004 609 HA GLU 83 HA GLU 83 -1.705 -15.141 -9.254 610 1HB GLU 83 2HB GLU 83 -2.153 -15.198 -12.210 611 2HB GLU 83 1HB GLU 83 -0.531 -15.558 -11.616 612 1HG GLU 83 2HG GLU 83 -2.898 -16.887 -10.329 613 2HG GLU 83 1HG GLU 83 -2.285 -17.506 -11.862 614 H LEU 84 H LEU 84 -0.446 -13.632 -8.245 615 HA LEU 84 HA LEU 84 1.255 -11.887 -9.963 616 1HB LEU 84 2HB LEU 84 -0.442 -11.026 -7.613 617 2HB LEU 84 1HB LEU 84 0.956 -10.092 -8.144 618 HG LEU 84 HG LEU 84 -0.838 -10.871 -10.341 619 1HD1 LEU 84 1HD1 LEU 84 -2.251 -10.283 -8.129 620 2HD1 LEU 84 2HD1 LEU 84 -2.764 -9.777 -9.739 621 3HD1 LEU 84 3HD1 LEU 84 -1.919 -8.642 -8.687 622 1HD2 LEU 84 1HD2 LEU 84 1.149 -9.038 -9.935 623 2HD2 LEU 84 2HD2 LEU 84 -0.284 -8.033 -9.711 624 3HD2 LEU 84 3HD2 LEU 84 -0.053 -8.918 -11.220 625 H ARG 85 H ARG 85 3.039 -10.871 -8.479 626 HA ARG 85 HA ARG 85 3.853 -12.715 -6.286 627 1HB ARG 85 2HB ARG 85 5.288 -12.233 -8.874 628 2HB ARG 85 1HB ARG 85 6.243 -12.470 -7.411 629 1HG ARG 85 2HG ARG 85 5.830 -14.686 -7.409 630 2HG ARG 85 1HG ARG 85 4.096 -14.423 -7.580 631 1HD ARG 85 2HD ARG 85 4.227 -15.120 -9.712 632 2HD ARG 85 1HD ARG 85 5.274 -13.750 -10.074 633 HE ARG 85 HE ARG 85 7.197 -15.262 -9.375 634 1HH1 ARG 85 2HH1 ARG 85 5.574 -17.557 -8.377 635 2HH1 ARG 85 1HH1 ARG 85 5.571 -18.631 -9.735 636 1HH2 ARG 85 1HH2 ARG 85 6.589 -16.196 -12.002 637 2HH2 ARG 85 2HH2 ARG 85 6.148 -17.858 -11.794 638 H LEU 86 H LEU 86 5.413 -11.746 -4.820 639 HA LEU 86 HA LEU 86 5.429 -8.763 -4.966 640 1HB LEU 86 2HB LEU 86 4.485 -10.097 -2.928 641 2HB LEU 86 1HB LEU 86 6.180 -10.346 -2.516 642 HG LEU 86 HG LEU 86 5.930 -7.607 -3.190 643 1HD1 LEU 86 1HD1 LEU 86 3.808 -7.057 -2.667 644 2HD1 LEU 86 2HD1 LEU 86 4.189 -7.473 -0.997 645 3HD1 LEU 86 3HD1 LEU 86 3.472 -8.681 -2.063 646 1HD2 LEU 86 1HD2 LEU 86 7.477 -7.984 -1.539 647 2HD2 LEU 86 2HD2 LEU 86 6.532 -9.281 -0.806 648 3HD2 LEU 86 3HD2 LEU 86 6.113 -7.597 -0.489 649 H ILE 87 H ILE 87 7.315 -7.767 -5.415 650 HA ILE 87 HA ILE 87 9.867 -9.245 -4.915 651 HB ILE 87 HB ILE 87 9.421 -9.136 -7.326 652 1HG1 ILE 87 2HG1 ILE 87 11.507 -7.027 -6.770 653 2HG1 ILE 87 1HG1 ILE 87 11.764 -8.704 -6.291 654 1HG2 ILE 87 1HG2 ILE 87 8.487 -7.342 -8.322 655 2HG2 ILE 87 2HG2 ILE 87 9.720 -6.263 -7.670 656 3HG2 ILE 87 3HG2 ILE 87 8.288 -6.642 -6.716 657 1HD1 ILE 87 1HD1 ILE 87 12.399 -7.699 -8.754 658 2HD1 ILE 87 2HD1 ILE 87 10.789 -8.352 -9.057 659 3HD1 ILE 87 3HD1 ILE 87 12.064 -9.402 -8.437 660 HA PRO 88 HA PRO 88 10.698 -5.674 -2.415 661 1HB PRO 88 2HB PRO 88 13.280 -6.379 -1.767 662 2HB PRO 88 1HB PRO 88 11.844 -7.077 -0.999 663 1HG PRO 88 2HG PRO 88 13.660 -8.286 -3.038 664 2HG PRO 88 1HG PRO 88 12.681 -9.082 -1.793 665 1HD PRO 88 2HD PRO 88 12.023 -8.918 -4.527 666 2HD PRO 88 1HD PRO 88 10.900 -9.342 -3.219 667 H ARG 89 H ARG 89 11.206 -3.690 -3.215 668 HA ARG 89 HA ARG 89 12.928 -3.404 -5.570 669 1HB ARG 89 2HB ARG 89 11.320 -1.455 -3.908 670 2HB ARG 89 1HB ARG 89 12.366 -0.928 -5.226 671 1HG ARG 89 2HG ARG 89 10.368 -3.120 -5.711 672 2HG ARG 89 1HG ARG 89 9.833 -1.441 -5.711 673 1HD ARG 89 2HD ARG 89 10.623 -1.183 -7.801 674 2HD ARG 89 1HD ARG 89 12.245 -1.589 -7.238 675 HE ARG 89 HE ARG 89 10.272 -3.599 -8.245 676 1HH1 ARG 89 2HH1 ARG 89 12.609 -2.731 -9.939 677 2HH1 ARG 89 1HH1 ARG 89 13.765 -3.980 -9.620 678 1HH2 ARG 89 1HH2 ARG 89 12.129 -5.130 -6.774 679 2HH2 ARG 89 2HH2 ARG 89 13.493 -5.345 -7.822 680 H ASP 90 H ASP 90 14.787 -1.981 -5.631 681 HA ASP 90 HA ASP 90 16.597 -2.360 -3.412 682 1HB ASP 90 2HB ASP 90 18.152 -0.950 -4.753 683 2HB ASP 90 1HB ASP 90 17.436 -2.244 -5.710 684 H ARG 91 H ARG 91 17.464 -0.780 -1.983 685 HA ARG 91 HA ARG 91 15.625 1.472 -1.416 686 1HB ARG 91 2HB ARG 91 17.149 -0.270 0.193 687 2HB ARG 91 1HB ARG 91 17.926 1.305 0.348 688 1HG ARG 91 2HG ARG 91 14.990 1.436 0.440 689 2HG ARG 91 1HG ARG 91 15.694 0.499 1.757 690 1HD ARG 91 2HD ARG 91 15.899 2.566 2.725 691 2HD ARG 91 1HD ARG 91 17.380 2.611 1.768 692 HE ARG 91 HE ARG 91 15.287 3.594 0.127 693 1HH1 ARG 91 2HH1 ARG 91 14.549 4.801 2.831 694 2HH1 ARG 91 1HH1 ARG 91 15.385 6.315 2.759 695 1HH2 ARG 91 1HH2 ARG 91 17.416 5.365 0.103 696 2HH2 ARG 91 2HH2 ARG 91 17.013 6.636 1.207 697 H VAL 92 H VAL 92 16.049 3.310 -2.528 698 HA VAL 92 HA VAL 92 18.882 4.239 -2.682 699 HB VAL 92 HB VAL 92 18.195 5.288 -4.944 700 1HG1 VAL 92 1HG1 VAL 92 19.817 3.535 -4.904 701 2HG1 VAL 92 2HG1 VAL 92 18.633 3.080 -6.130 702 3HG1 VAL 92 3HG1 VAL 92 18.595 2.318 -4.539 703 1HG2 VAL 92 1HG2 VAL 92 15.967 3.293 -4.496 704 2HG2 VAL 92 2HG2 VAL 92 16.485 3.738 -6.121 705 3HG2 VAL 92 3HG2 VAL 92 15.849 4.969 -5.032 706 H GLY 93 H GLY 93 15.462 5.284 -3.087 707 1HA GLY 93 2HA GLY 93 15.962 7.552 -1.284 708 2HA GLY 93 1HA GLY 93 15.593 8.002 -2.949 709 H HIS 94 HN HIS 94 14.301 5.642 -0.563 710 HA HIS 94 HA HIS 94 11.553 6.428 -1.436 711 1HB HIS 94 2HB HIS 94 12.585 3.923 -0.073 712 2HB HIS 94 1HB HIS 94 10.873 4.263 -0.319 713 HD1 HIS 94 HD1 HIS 94 13.950 3.163 -2.093 714 HD2 HIS 94 HD2 HIS 94 10.057 4.266 -3.098 715 HE1 HIS 94 HE1 HIS 94 13.600 2.449 -4.498
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