NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13340 | 1ujx | 10104 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -32.458 -27.145 8.704 2 HA2 GLY 1 1HA GLY 1 -34.611 -26.904 7.342 3 HA3 GLY 1 2HA GLY 1 -34.312 -25.186 7.514 4 H SER 2 H SER 2 -34.122 -25.061 5.151 5 HA SER 2 HA SER 2 -31.510 -26.027 4.286 6 HB2 SER 2 1HB SER 2 -34.016 -26.757 3.230 7 HB3 SER 2 2HB SER 2 -33.417 -25.559 2.099 8 HG SER 2 HG SER 2 -31.927 -27.880 2.993 9 H SER 3 H SER 3 -30.189 -24.242 4.181 10 HA SER 3 HA SER 3 -31.183 -21.661 4.028 11 HB2 SER 3 1HB SER 3 -29.026 -21.957 4.992 12 HB3 SER 3 2HB SER 3 -28.441 -22.892 3.630 13 HG SER 3 HG SER 3 -28.565 -20.931 2.320 14 H GLY 4 H GLY 4 -29.377 -23.632 1.549 15 HA2 GLY 4 1HA GLY 4 -29.508 -23.654 -0.698 16 HA3 GLY 4 2HA GLY 4 -31.049 -22.827 -0.587 17 H SER 5 H SER 5 -30.676 -21.353 -2.297 18 HA SER 5 HA SER 5 -30.031 -19.493 -3.209 19 HB2 SER 5 1HB SER 5 -29.823 -18.966 -0.416 20 HB3 SER 5 2HB SER 5 -28.390 -18.266 -1.141 21 HG SER 5 HG SER 5 -29.580 -16.798 -2.213 22 H SER 6 H SER 6 -28.449 -19.312 -4.762 23 HA SER 6 HA SER 6 -26.540 -19.462 -5.782 24 HB2 SER 6 1HB SER 6 -25.277 -19.312 -3.008 25 HB3 SER 6 2HB SER 6 -24.410 -19.104 -4.517 26 HG SER 6 HG SER 6 -24.994 -17.051 -3.601 27 H GLY 7 H GLY 7 -24.604 -20.962 -6.197 28 HA2 GLY 7 1HA GLY 7 -24.989 -23.576 -4.869 29 HA3 GLY 7 2HA GLY 7 -24.894 -23.426 -6.612 30 H MET 8 H MET 8 -22.870 -22.278 -7.508 31 HA MET 8 HA MET 8 -20.626 -22.086 -5.839 32 HB2 MET 8 1HB MET 8 -21.266 -24.712 -6.939 33 HB3 MET 8 2HB MET 8 -19.791 -24.139 -7.692 34 HG2 MET 8 1HG MET 8 -18.762 -23.749 -5.473 35 HG3 MET 8 2HG MET 8 -20.257 -24.187 -4.670 36 HE1 MET 8 1HE MET 8 -16.828 -26.377 -5.946 37 HE2 MET 8 2HE MET 8 -17.750 -26.540 -7.460 38 HE3 MET 8 3HE MET 8 -17.455 -24.927 -6.767 39 H SER 9 H SER 9 -18.656 -21.435 -7.075 40 HA SER 9 HA SER 9 -18.546 -21.265 -9.787 41 HB2 SER 9 1HB SER 9 -20.395 -19.323 -8.690 42 HB3 SER 9 2HB SER 9 -19.014 -18.471 -9.352 43 HG SER 9 HG SER 9 -20.080 -18.730 -11.205 44 H GLN 10 H GLN 10 -16.458 -20.571 -10.345 45 HA GLN 10 HA GLN 10 -15.088 -18.659 -8.827 46 HB2 GLN 10 1HB GLN 10 -13.232 -20.347 -8.097 47 HB3 GLN 10 2HB GLN 10 -14.674 -20.207 -7.111 48 HG2 GLN 10 1HG GLN 10 -15.663 -22.169 -8.407 49 HG3 GLN 10 2HG GLN 10 -14.117 -22.353 -9.211 50 HE21 GLN 10 1HE2 GLN 10 -15.325 -24.326 -7.659 51 HE22 GLN 10 2HE2 GLN 10 -14.360 -24.647 -6.257 52 H LEU 11 H LEU 11 -13.674 -17.708 -10.242 53 HA LEU 11 HA LEU 11 -13.162 -19.102 -12.724 54 HB2 LEU 11 1HB LEU 11 -12.620 -16.285 -11.782 55 HB3 LEU 11 2HB LEU 11 -12.155 -16.893 -13.358 56 HG LEU 11 HG LEU 11 -15.003 -16.781 -12.328 57 HD11 LEU 11 1HD1 LEU 11 -15.257 -14.709 -13.145 58 HD12 LEU 11 2HD1 LEU 11 -13.485 -14.615 -13.005 59 HD13 LEU 11 3HD1 LEU 11 -14.233 -15.031 -14.565 60 HD21 LEU 11 1HD2 LEU 11 -13.753 -17.793 -14.845 61 HD22 LEU 11 2HD2 LEU 11 -15.134 -18.421 -13.913 62 HD23 LEU 11 3HD2 LEU 11 -15.335 -16.984 -14.944 63 H GLY 12 H GLY 12 -11.115 -17.230 -10.367 64 HA2 GLY 12 1HA GLY 12 -9.024 -19.281 -10.766 65 HA3 GLY 12 2HA GLY 12 -8.666 -17.567 -10.844 66 H SER 13 H SER 13 -7.148 -18.018 -9.026 67 HA SER 13 HA SER 13 -8.381 -18.722 -6.540 68 HB2 SER 13 1HB SER 13 -5.526 -17.973 -7.301 69 HB3 SER 13 2HB SER 13 -6.005 -18.368 -5.662 70 HG SER 13 HG SER 13 -6.940 -20.420 -6.806 71 H ARG 14 H ARG 14 -7.294 -15.846 -8.317 72 HA ARG 14 HA ARG 14 -7.216 -13.731 -7.832 73 HB2 ARG 14 1HB ARG 14 -9.679 -14.405 -6.142 74 HB3 ARG 14 2HB ARG 14 -9.258 -12.796 -6.694 75 HG2 ARG 14 1HG ARG 14 -9.210 -13.986 -9.097 76 HG3 ARG 14 2HG ARG 14 -10.241 -15.158 -8.301 77 HD2 ARG 14 1HD ARG 14 -10.926 -12.253 -7.904 78 HD3 ARG 14 2HD ARG 14 -11.226 -12.930 -9.493 79 HE ARG 14 HE ARG 14 -12.227 -14.638 -7.344 80 HH11 ARG 14 2HH2 ARG 14 -12.971 -11.859 -9.370 81 HH12 ARG 14 1HH2 ARG 14 -14.686 -12.032 -9.199 82 HH21 ARG 14 2HH1 ARG 14 -14.490 -14.868 -7.119 83 HH22 ARG 14 1HH1 ARG 14 -15.556 -13.755 -7.910 84 H GLY 15 H GLY 15 -7.771 -12.068 -5.657 85 HA2 GLY 15 1HA GLY 15 -6.968 -13.058 -3.144 86 HA3 GLY 15 2HA GLY 15 -5.563 -12.436 -3.985 87 H ARG 16 H ARG 16 -5.511 -10.791 -2.218 88 HA ARG 16 HA ARG 16 -7.103 -8.537 -3.040 89 HB2 ARG 16 1HB ARG 16 -7.870 -9.993 -0.795 90 HB3 ARG 16 2HB ARG 16 -6.848 -8.762 -0.081 91 HG2 ARG 16 1HG ARG 16 -8.264 -7.015 -0.697 92 HG3 ARG 16 2HG ARG 16 -8.836 -7.836 -2.136 93 HD2 ARG 16 1HD ARG 16 -10.461 -9.056 -0.975 94 HD3 ARG 16 2HD ARG 16 -9.541 -9.077 0.516 95 HE ARG 16 HE ARG 16 -10.133 -6.392 0.191 96 HH11 ARG 16 2HH2 ARG 16 -12.079 -9.324 0.229 97 HH12 ARG 16 1HH2 ARG 16 -13.489 -8.532 0.850 98 HH21 ARG 16 2HH1 ARG 16 -11.993 -5.348 1.010 99 HH22 ARG 16 1HH1 ARG 16 -13.440 -6.255 1.297 100 H LEU 17 H LEU 17 -6.056 -6.490 -2.585 101 HA LEU 17 HA LEU 17 -3.221 -6.778 -2.121 102 HB2 LEU 17 1HB LEU 17 -5.005 -4.528 -3.024 103 HB3 LEU 17 2HB LEU 17 -3.319 -4.268 -2.621 104 HG LEU 17 HG LEU 17 -4.000 -6.417 -4.596 105 HD11 LEU 17 1HD1 LEU 17 -4.304 -4.984 -6.405 106 HD12 LEU 17 2HD1 LEU 17 -5.292 -4.246 -5.122 107 HD13 LEU 17 3HD1 LEU 17 -3.696 -3.566 -5.517 108 HD21 LEU 17 1HD2 LEU 17 -1.697 -6.203 -3.873 109 HD22 LEU 17 2HD2 LEU 17 -1.848 -5.717 -5.579 110 HD23 LEU 17 3HD2 LEU 17 -1.688 -4.478 -4.311 111 H TRP 18 H TRP 18 -2.039 -5.616 -0.482 112 HA TRP 18 HA TRP 18 -3.414 -4.174 1.534 113 HB2 TRP 18 1HB TRP 18 -2.931 -5.779 3.386 114 HB3 TRP 18 2HB TRP 18 -4.253 -6.223 2.325 115 HD1 TRP 18 HD TRP 18 -3.785 -8.363 0.639 116 HE1 TRP 18 1HE TRP 18 -2.158 -10.437 0.747 117 HE3 TRP 18 3HE TRP 18 -0.672 -6.402 4.149 118 HZ2 TRP 18 2HZ TRP 18 0.196 -11.012 2.254 119 HZ3 TRP 18 3HZ TRP 18 1.267 -7.785 4.884 120 HH2 TRP 18 HH TRP 18 1.725 -10.016 3.996 121 H LEU 19 H LEU 19 -1.742 -3.733 3.401 122 HA LEU 19 HA LEU 19 0.918 -3.645 2.157 123 HB2 LEU 19 1HB LEU 19 -0.225 -1.725 4.186 124 HB3 LEU 19 2HB LEU 19 1.303 -1.591 3.339 125 HG LEU 19 HG LEU 19 -1.312 -1.628 1.835 126 HD11 LEU 19 1HD1 LEU 19 -1.531 0.129 3.505 127 HD12 LEU 19 2HD1 LEU 19 0.045 0.806 3.028 128 HD13 LEU 19 3HD1 LEU 19 -1.317 0.828 1.882 129 HD21 LEU 19 1HD2 LEU 19 0.246 -0.072 0.371 130 HD22 LEU 19 2HD2 LEU 19 1.535 -0.956 1.223 131 HD23 LEU 19 3HD2 LEU 19 0.331 -1.847 0.261 132 H GLN 20 H GLN 20 2.723 -4.254 3.386 133 HA GLN 20 HA GLN 20 1.987 -5.634 5.843 134 HB2 GLN 20 1HB GLN 20 2.920 -7.057 4.021 135 HB3 GLN 20 2HB GLN 20 4.377 -6.083 4.000 136 HG2 GLN 20 1HG GLN 20 4.970 -7.919 5.375 137 HG3 GLN 20 2HG GLN 20 4.597 -6.656 6.530 138 HE21 GLN 20 1HE2 GLN 20 3.850 -9.757 5.358 139 HE22 GLN 20 2HE2 GLN 20 2.487 -10.126 6.362 140 H SER 21 H SER 21 2.908 -5.022 7.786 141 HA SER 21 HA SER 21 4.920 -2.921 7.570 142 HB2 SER 21 1HB SER 21 3.876 -2.801 10.166 143 HB3 SER 21 2HB SER 21 3.486 -1.722 8.842 144 HG SER 21 HG SER 21 1.505 -2.509 8.873 145 HA PRO 22 HA PRO 22 7.564 -5.557 9.808 146 HB2 PRO 22 1HB PRO 22 9.359 -3.770 10.834 147 HB3 PRO 22 2HB PRO 22 9.423 -4.352 9.183 148 HG2 PRO 22 1HG PRO 22 8.523 -1.721 10.186 149 HG3 PRO 22 2HG PRO 22 8.994 -2.173 8.560 150 HD2 PRO 22 1HD PRO 22 6.321 -1.790 9.528 151 HD3 PRO 22 2HD PRO 22 6.789 -2.354 7.936 152 H THR 23 H THR 23 8.559 -6.097 11.966 153 HA THR 23 HA THR 23 6.655 -6.359 13.847 154 HB THR 23 HB THR 23 8.990 -7.345 13.816 155 HG1 THR 23 1HG THR 23 7.706 -7.427 15.762 156 HG21 THR 23 1HG2 THR 23 9.674 -4.497 14.252 157 HG22 THR 23 2HG2 THR 23 10.359 -5.568 15.498 158 HG23 THR 23 3HG2 THR 23 10.732 -5.848 13.780 159 H GLY 24 H GLY 24 6.281 -5.337 15.975 160 HA2 GLY 24 1HA GLY 24 5.531 -3.552 17.122 161 HA3 GLY 24 2HA GLY 24 7.070 -2.819 16.719 162 H GLY 25 H GLY 25 4.440 -3.792 14.440 163 HA2 GLY 25 1HA GLY 25 4.008 -0.927 13.849 164 HA3 GLY 25 2HA GLY 25 4.253 -2.112 12.581 165 HA PRO 26 HA PRO 26 -0.214 -1.939 13.631 166 HB2 PRO 26 1HB PRO 26 -1.173 -0.822 11.328 167 HB3 PRO 26 2HB PRO 26 -0.840 0.106 12.777 168 HG2 PRO 26 1HG PRO 26 0.720 -0.039 10.270 169 HG3 PRO 26 2HG PRO 26 0.788 1.170 11.536 170 HD2 PRO 26 1HD PRO 26 2.671 -0.945 11.081 171 HD3 PRO 26 2HD PRO 26 2.674 0.192 12.414 172 HA PRO 27 HA PRO 27 -1.273 -5.406 11.419 173 HB2 PRO 27 1HB PRO 27 -3.980 -5.273 11.068 174 HB3 PRO 27 2HB PRO 27 -3.232 -5.762 12.576 175 HG2 PRO 27 1HG PRO 27 -4.539 -3.198 11.902 176 HG3 PRO 27 2HG PRO 27 -4.174 -3.862 13.482 177 HD2 PRO 27 1HD PRO 27 -2.744 -1.780 12.125 178 HD3 PRO 27 2HD PRO 27 -2.312 -2.524 13.651 179 HA PRO 28 HA PRO 28 -1.534 -4.930 7.207 180 HB2 PRO 28 1HB PRO 28 -2.844 -7.142 6.280 181 HB3 PRO 28 2HB PRO 28 -1.156 -7.156 6.753 182 HG2 PRO 28 1HG PRO 28 -3.495 -8.238 8.201 183 HG3 PRO 28 2HG PRO 28 -1.796 -8.603 8.430 184 HD2 PRO 28 1HD PRO 28 -3.427 -6.919 10.083 185 HD3 PRO 28 2HD PRO 28 -1.704 -7.192 10.243 186 H ILE 29 H ILE 29 -2.538 -3.133 6.524 187 HA ILE 29 HA ILE 29 -5.400 -3.058 6.774 188 HB ILE 29 HB ILE 29 -3.325 -1.138 5.734 189 HG12 ILE 29 1HG1 ILE 29 -4.896 -0.113 7.875 190 HG13 ILE 29 2HG1 ILE 29 -4.403 -1.732 8.328 191 HG21 ILE 29 1HG2 ILE 29 -5.579 0.370 6.006 192 HG22 ILE 29 2HG2 ILE 29 -4.961 -0.273 4.465 193 HG23 ILE 29 3HG2 ILE 29 -6.245 -1.141 5.341 194 HD11 ILE 29 1HD1 ILE 29 -2.659 0.641 7.613 195 HD12 ILE 29 2HD1 ILE 29 -2.589 -0.405 9.051 196 HD13 ILE 29 3HD1 ILE 29 -2.025 -1.016 7.478 197 H PHE 30 H PHE 30 -6.919 -3.377 5.183 198 HA PHE 30 HA PHE 30 -5.865 -4.459 2.694 199 HB2 PHE 30 1HB PHE 30 -8.540 -4.423 4.193 200 HB3 PHE 30 2HB PHE 30 -8.457 -5.000 2.541 201 HD1 PHE 30 1HD PHE 30 -7.166 -5.612 5.959 202 HD2 PHE 30 2HD PHE 30 -7.735 -7.192 2.062 203 HE1 PHE 30 1HE PHE 30 -6.516 -7.890 6.788 204 HE2 PHE 30 2HE PHE 30 -7.085 -9.470 2.890 205 HZ PHE 30 HZ PHE 30 -6.483 -9.792 5.243 206 H LEU 31 H LEU 31 -5.465 -2.870 1.195 207 HA LEU 31 HA LEU 31 -6.691 -0.407 1.103 208 HB2 LEU 31 1HB LEU 31 -5.653 -1.891 -1.304 209 HB3 LEU 31 2HB LEU 31 -5.706 -0.159 -1.037 210 HG LEU 31 HG LEU 31 -3.763 -2.187 -0.051 211 HD11 LEU 31 1HD1 LEU 31 -3.672 0.616 -1.149 212 HD12 LEU 31 2HD1 LEU 31 -2.263 -0.108 -0.337 213 HD13 LEU 31 3HD1 LEU 31 -2.943 -0.875 -1.792 214 HD21 LEU 31 1HD2 LEU 31 -4.787 0.077 1.626 215 HD22 LEU 31 2HD2 LEU 31 -4.311 -1.572 2.097 216 HD23 LEU 31 3HD2 LEU 31 -3.064 -0.366 1.698 217 HA PRO 32 HA PRO 32 -10.584 -1.136 -0.609 218 HB2 PRO 32 1HB PRO 32 -11.112 1.238 -1.856 219 HB3 PRO 32 2HB PRO 32 -11.285 1.004 -0.128 220 HG2 PRO 32 1HG PRO 32 -9.160 2.437 -1.600 221 HG3 PRO 32 2HG PRO 32 -9.586 2.547 0.096 222 HD2 PRO 32 1HD PRO 32 -7.351 1.141 -1.025 223 HD3 PRO 32 2HD PRO 32 -7.843 1.156 0.657 224 H SER 33 H SER 33 -11.238 -2.493 -2.145 225 HA SER 33 HA SER 33 -9.672 -2.509 -4.516 226 HB2 SER 33 1HB SER 33 -11.015 -4.476 -5.121 227 HB3 SER 33 2HB SER 33 -10.473 -4.604 -3.459 228 HG SER 33 HG SER 33 -12.504 -4.576 -2.772 229 H ASP 34 H ASP 34 -12.839 -1.305 -3.441 230 HA ASP 34 HA ASP 34 -14.254 -1.132 -5.688 231 HB2 ASP 34 1HB ASP 34 -15.237 -0.245 -3.724 232 HB3 ASP 34 2HB ASP 34 -13.862 0.785 -3.380 233 H GLY 35 H GLY 35 -11.249 0.541 -4.859 234 HA2 GLY 35 1HA GLY 35 -9.933 1.314 -6.745 235 HA3 GLY 35 2HA GLY 35 -11.386 2.033 -7.410 236 H GLN 36 H GLN 36 -11.831 2.494 -4.173 237 HA GLN 36 HA GLN 36 -11.467 5.191 -4.264 238 HB2 GLN 36 1HB GLN 36 -11.878 3.152 -2.122 239 HB3 GLN 36 2HB GLN 36 -11.246 4.693 -1.578 240 HG2 GLN 36 1HG GLN 36 -13.122 5.883 -2.695 241 HG3 GLN 36 2HG GLN 36 -13.739 4.364 -3.313 242 HE21 GLN 36 1HE2 GLN 36 -14.490 2.762 -1.843 243 HE22 GLN 36 2HE2 GLN 36 -15.116 3.190 -0.286 244 H ALA 37 H ALA 37 -9.976 6.353 -2.427 245 HA ALA 37 HA ALA 37 -7.258 5.313 -2.857 246 HB1 ALA 37 1HB ALA 37 -8.461 7.810 -3.621 247 HB2 ALA 37 2HB ALA 37 -7.232 8.130 -2.374 248 HB3 ALA 37 3HB ALA 37 -6.784 7.262 -3.863 249 H LEU 38 H LEU 38 -6.268 4.699 -1.004 250 HA LEU 38 HA LEU 38 -7.434 5.625 1.498 251 HB2 LEU 38 1HB LEU 38 -6.960 3.170 0.833 252 HB3 LEU 38 2HB LEU 38 -5.288 3.546 1.197 253 HG LEU 38 HG LEU 38 -5.797 4.018 3.493 254 HD11 LEU 38 1HD1 LEU 38 -7.773 5.136 3.688 255 HD12 LEU 38 2HD1 LEU 38 -8.618 4.087 2.524 256 HD13 LEU 38 3HD1 LEU 38 -8.311 3.512 4.181 257 HD21 LEU 38 1HD2 LEU 38 -6.676 1.467 2.282 258 HD22 LEU 38 2HD2 LEU 38 -5.470 1.791 3.550 259 HD23 LEU 38 3HD2 LEU 38 -7.202 1.753 3.958 260 H VAL 39 H VAL 39 -6.673 7.632 2.026 261 HA VAL 39 HA VAL 39 -4.019 8.420 1.377 262 HB VAL 39 HB VAL 39 -6.416 9.559 2.689 263 HG11 VAL 39 1HG1 VAL 39 -4.840 11.586 3.313 264 HG12 VAL 39 2HG1 VAL 39 -5.104 10.246 4.454 265 HG13 VAL 39 3HG1 VAL 39 -3.618 10.302 3.475 266 HG21 VAL 39 1HG2 VAL 39 -4.375 10.741 0.777 267 HG22 VAL 39 2HG2 VAL 39 -5.860 9.889 0.290 268 HG23 VAL 39 3HG2 VAL 39 -5.967 11.418 1.194 269 H LEU 40 H LEU 40 -2.163 8.118 2.511 270 HA LEU 40 HA LEU 40 -2.474 7.005 5.208 271 HB2 LEU 40 1HB LEU 40 -0.440 6.590 3.038 272 HB3 LEU 40 2HB LEU 40 -0.048 6.253 4.712 273 HG LEU 40 HG LEU 40 -2.138 4.915 2.987 274 HD11 LEU 40 1HD1 LEU 40 -0.310 3.672 2.561 275 HD12 LEU 40 2HD1 LEU 40 0.540 4.214 4.028 276 HD13 LEU 40 3HD1 LEU 40 -0.693 2.934 4.135 277 HD21 LEU 40 1HD2 LEU 40 -2.386 3.507 5.223 278 HD22 LEU 40 2HD2 LEU 40 -1.956 5.069 5.961 279 HD23 LEU 40 3HD2 LEU 40 -3.379 4.948 4.898 280 H GLY 41 H GLY 41 -0.901 7.695 6.854 281 HA2 GLY 41 1HA GLY 41 0.995 9.624 6.674 282 HA3 GLY 41 2HA GLY 41 -0.494 10.545 6.725 283 H ARG 42 H ARG 42 0.077 11.424 8.820 284 HA ARG 42 HA ARG 42 0.724 9.801 10.964 285 HB2 ARG 42 1HB ARG 42 0.142 12.619 10.467 286 HB3 ARG 42 2HB ARG 42 -0.621 12.122 11.964 287 HG2 ARG 42 1HG ARG 42 1.709 10.996 12.497 288 HG3 ARG 42 2HG ARG 42 2.324 12.046 11.235 289 HD2 ARG 42 1HD ARG 42 2.609 13.331 13.214 290 HD3 ARG 42 2HD ARG 42 1.148 13.992 12.508 291 HE ARG 42 HE ARG 42 0.539 11.798 14.310 292 HH11 ARG 42 2HH2 ARG 42 1.373 15.216 14.225 293 HH12 ARG 42 1HH2 ARG 42 0.623 15.567 15.746 294 HH21 ARG 42 2HH1 ARG 42 -0.450 12.262 16.317 295 HH22 ARG 42 1HH1 ARG 42 -0.421 13.876 16.944 296 H GLY 43 H GLY 43 -0.551 8.863 12.638 297 HA2 GLY 43 1HA GLY 43 -2.883 9.119 13.649 298 HA3 GLY 43 2HA GLY 43 -3.434 8.715 12.036 299 HA PRO 44 HA PRO 44 -2.747 4.812 14.299 300 HB2 PRO 44 1HB PRO 44 -5.301 3.844 14.218 301 HB3 PRO 44 2HB PRO 44 -4.653 4.724 15.588 302 HG2 PRO 44 1HG PRO 44 -6.550 5.651 13.519 303 HG3 PRO 44 2HG PRO 44 -6.223 6.340 15.097 304 HD2 PRO 44 1HD PRO 44 -5.295 7.326 12.568 305 HD3 PRO 44 2HD PRO 44 -4.875 7.945 14.153 306 H LEU 45 H LEU 45 -3.750 5.827 11.291 307 HA LEU 45 HA LEU 45 -4.335 3.467 10.010 308 HB2 LEU 45 1HB LEU 45 -3.039 6.030 9.128 309 HB3 LEU 45 2HB LEU 45 -3.267 4.702 8.008 310 HG LEU 45 HG LEU 45 -5.768 4.810 8.835 311 HD11 LEU 45 1HD1 LEU 45 -5.525 6.401 10.605 312 HD12 LEU 45 2HD1 LEU 45 -4.728 7.569 9.524 313 HD13 LEU 45 3HD1 LEU 45 -6.448 7.173 9.293 314 HD21 LEU 45 1HD2 LEU 45 -4.638 6.896 6.949 315 HD22 LEU 45 2HD2 LEU 45 -4.954 5.193 6.535 316 HD23 LEU 45 3HD2 LEU 45 -6.303 6.267 6.977 317 H THR 46 H THR 46 -1.076 5.071 10.224 318 HA THR 46 HA THR 46 0.081 2.378 9.909 319 HB THR 46 HB THR 46 1.951 3.537 8.761 320 HG1 THR 46 1HG THR 46 0.240 5.889 9.067 321 HG21 THR 46 1HG2 THR 46 0.497 3.192 6.979 322 HG22 THR 46 2HG2 THR 46 -0.874 3.944 7.828 323 HG23 THR 46 3HG2 THR 46 0.361 4.965 7.053 324 H GLN 47 H GLN 47 -0.760 4.412 12.266 325 HA GLN 47 HA GLN 47 -0.092 4.713 14.310 326 HB2 GLN 47 1HB GLN 47 1.952 2.565 13.616 327 HB3 GLN 47 2HB GLN 47 1.804 3.242 15.226 328 HG2 GLN 47 1HG GLN 47 -0.833 2.496 14.215 329 HG3 GLN 47 2HG GLN 47 0.262 1.133 14.087 330 HE21 GLN 47 1HE2 GLN 47 -2.046 1.744 15.864 331 HE22 GLN 47 2HE2 GLN 47 -1.485 1.519 17.488 332 H VAL 48 H VAL 48 1.145 6.133 11.874 333 HA VAL 48 HA VAL 48 3.760 6.872 12.837 334 HB VAL 48 HB VAL 48 2.045 7.558 10.466 335 HG11 VAL 48 1HG1 VAL 48 3.977 8.987 9.678 336 HG12 VAL 48 2HG1 VAL 48 3.009 9.676 11.004 337 HG13 VAL 48 3HG1 VAL 48 4.594 8.943 11.348 338 HG21 VAL 48 1HG2 VAL 48 4.584 6.036 10.971 339 HG22 VAL 48 2HG2 VAL 48 3.158 5.586 10.006 340 HG23 VAL 48 3HG2 VAL 48 4.315 6.785 9.379 341 H THR 49 H THR 49 4.248 8.615 14.099 342 HA THR 49 HA THR 49 2.130 10.620 14.471 343 HB THR 49 HB THR 49 2.746 10.574 16.927 344 HG1 THR 49 1HG THR 49 4.784 9.595 16.936 345 HG21 THR 49 1HG2 THR 49 1.077 9.039 17.192 346 HG22 THR 49 2HG2 THR 49 1.270 8.544 15.493 347 HG23 THR 49 3HG2 THR 49 2.215 7.738 16.769 348 H ASP 50 H ASP 50 4.525 10.534 12.709 349 HA ASP 50 HA ASP 50 6.298 12.351 14.064 350 HB2 ASP 50 1HB ASP 50 6.903 10.410 12.371 351 HB3 ASP 50 2HB ASP 50 6.459 11.570 11.135 352 H ARG 51 H ARG 51 6.110 14.591 13.803 353 HA ARG 51 HA ARG 51 3.961 15.707 12.581 354 HB2 ARG 51 1HB ARG 51 6.711 16.901 13.180 355 HB3 ARG 51 2HB ARG 51 5.337 17.873 12.695 356 HG2 ARG 51 1HG ARG 51 4.230 17.586 14.717 357 HG3 ARG 51 2HG ARG 51 4.859 15.969 14.961 358 HD2 ARG 51 1HD ARG 51 6.685 16.723 16.124 359 HD3 ARG 51 2HD ARG 51 6.983 18.032 14.998 360 HE ARG 51 HE ARG 51 5.624 18.266 17.506 361 HH11 ARG 51 2HH2 ARG 51 5.359 19.393 14.183 362 HH12 ARG 51 1HH2 ARG 51 4.537 20.857 14.610 363 HH21 ARG 51 2HH1 ARG 51 4.540 20.196 18.070 364 HH22 ARG 51 1HH1 ARG 51 4.069 21.317 16.836 365 H LYS 52 H LYS 52 7.095 14.727 11.242 366 HA LYS 52 HA LYS 52 7.070 16.309 8.934 367 HB2 LYS 52 1HB LYS 52 8.388 13.671 9.614 368 HB3 LYS 52 2HB LYS 52 8.634 14.486 8.082 369 HG2 LYS 52 1HG LYS 52 8.996 16.050 10.648 370 HG3 LYS 52 2HG LYS 52 10.262 14.951 10.139 371 HD2 LYS 52 1HD LYS 52 10.714 16.164 8.159 372 HD3 LYS 52 2HD LYS 52 9.128 16.907 8.127 373 HE2 LYS 52 1HE LYS 52 9.821 18.112 10.324 374 HE3 LYS 52 2HE LYS 52 11.453 17.573 9.981 375 HZ1 LYS 52 1HZ LYS 52 11.385 18.727 7.916 376 HZ2 LYS 52 2HZ LYS 52 9.813 19.127 8.102 377 HZ3 LYS 52 3HZ LYS 52 10.942 19.771 9.091 378 H CYS 53 H CYS 53 5.164 13.559 9.938 379 HA CYS 53 HA CYS 53 4.453 12.916 7.209 380 HB2 CYS 53 1HB CYS 53 4.559 11.450 9.617 381 HB3 CYS 53 2HB CYS 53 2.856 11.570 9.222 382 HG CYS 53 HG CYS 53 2.843 10.479 7.000 383 H SER 54 H SER 54 2.402 13.402 6.298 384 HA SER 54 HA SER 54 0.812 15.217 7.935 385 HB2 SER 54 1HB SER 54 2.005 15.763 5.522 386 HB3 SER 54 2HB SER 54 0.431 15.218 4.977 387 HG SER 54 HG SER 54 0.793 17.232 7.024 388 H ARG 55 H ARG 55 -1.434 14.841 8.118 389 HA ARG 55 HA ARG 55 -2.393 12.403 8.151 390 HB2 ARG 55 1HB ARG 55 -3.535 15.077 8.015 391 HB3 ARG 55 2HB ARG 55 -4.571 13.976 7.129 392 HG2 ARG 55 1HG ARG 55 -3.945 12.505 9.423 393 HG3 ARG 55 2HG ARG 55 -4.056 14.141 10.040 394 HD2 ARG 55 1HD ARG 55 -6.290 14.221 8.572 395 HD3 ARG 55 2HD ARG 55 -6.195 12.475 8.695 396 HE ARG 55 HE ARG 55 -5.800 13.579 11.305 397 HH11 ARG 55 2HH2 ARG 55 -8.338 13.198 8.897 398 HH12 ARG 55 1HH2 ARG 55 -9.619 13.192 10.062 399 HH21 ARG 55 2HH1 ARG 55 -7.490 13.572 12.843 400 HH22 ARG 55 1HH1 ARG 55 -9.134 13.407 12.322 401 H ASN 56 H ASN 56 -2.068 14.469 5.244 402 HA ASN 56 HA ASN 56 -2.961 12.176 3.678 403 HB2 ASN 56 1HB ASN 56 -3.416 14.126 1.905 404 HB3 ASN 56 2HB ASN 56 -4.612 13.754 3.130 405 HD21 ASN 56 1HD2 ASN 56 -5.502 15.727 3.329 406 HD22 ASN 56 2HD2 ASN 56 -4.694 17.130 3.945 407 H GLN 57 H GLN 57 -0.387 11.975 4.236 408 HA GLN 57 HA GLN 57 1.355 13.680 2.907 409 HB2 GLN 57 1HB GLN 57 2.230 12.333 4.674 410 HB3 GLN 57 2HB GLN 57 1.597 10.852 3.981 411 HG2 GLN 57 1HG GLN 57 4.018 10.972 3.583 412 HG3 GLN 57 2HG GLN 57 3.169 11.072 2.053 413 HE21 GLN 57 1HE2 GLN 57 5.244 11.974 1.375 414 HE22 GLN 57 2HE2 GLN 57 5.530 13.676 1.531 415 H VAL 58 H VAL 58 -0.109 10.500 1.987 416 HA VAL 58 HA VAL 58 0.309 11.213 -0.795 417 HB VAL 58 HB VAL 58 1.108 8.740 -1.077 418 HG11 VAL 58 1HG1 VAL 58 2.468 10.517 -1.852 419 HG12 VAL 58 2HG1 VAL 58 2.815 11.081 -0.199 420 HG13 VAL 58 3HG1 VAL 58 3.510 9.549 -0.782 421 HG21 VAL 58 1HG2 VAL 58 0.879 8.064 1.253 422 HG22 VAL 58 2HG2 VAL 58 2.588 7.997 0.762 423 HG23 VAL 58 3HG2 VAL 58 2.002 9.348 1.762 424 H GLU 59 H GLU 59 -0.868 9.522 -2.232 425 HA GLU 59 HA GLU 59 -3.197 8.592 -0.740 426 HB2 GLU 59 1HB GLU 59 -3.538 10.635 -2.269 427 HB3 GLU 59 2HB GLU 59 -3.245 9.564 -3.625 428 HG2 GLU 59 1HG GLU 59 -5.235 8.380 -3.312 429 HG3 GLU 59 2HG GLU 59 -5.263 8.663 -1.582 430 H LEU 60 H LEU 60 -3.107 6.387 -0.650 431 HA LEU 60 HA LEU 60 -1.841 4.984 -2.864 432 HB2 LEU 60 1HB LEU 60 -2.493 4.351 -0.017 433 HB3 LEU 60 2HB LEU 60 -2.333 3.033 -1.161 434 HG LEU 60 HG LEU 60 -0.059 4.414 -1.714 435 HD11 LEU 60 1HD1 LEU 60 0.402 5.941 -0.170 436 HD12 LEU 60 2HD1 LEU 60 -0.994 5.449 0.819 437 HD13 LEU 60 3HD1 LEU 60 0.569 4.618 1.010 438 HD21 LEU 60 1HD2 LEU 60 -0.583 2.214 0.286 439 HD22 LEU 60 2HD2 LEU 60 0.001 2.085 -1.390 440 HD23 LEU 60 3HD2 LEU 60 1.060 2.760 -0.129 441 H ILE 61 H ILE 61 -2.908 3.485 -4.180 442 HA ILE 61 HA ILE 61 -5.765 3.147 -3.695 443 HB ILE 61 HB ILE 61 -4.498 4.441 -6.078 444 HG12 ILE 61 1HG1 ILE 61 -7.175 5.062 -4.851 445 HG13 ILE 61 2HG1 ILE 61 -5.703 5.609 -4.074 446 HG21 ILE 61 1HG2 ILE 61 -7.046 3.944 -6.938 447 HG22 ILE 61 2HG2 ILE 61 -5.595 3.043 -7.441 448 HG23 ILE 61 3HG2 ILE 61 -6.626 2.412 -6.135 449 HD11 ILE 61 1HD1 ILE 61 -5.665 7.361 -5.506 450 HD12 ILE 61 2HD1 ILE 61 -5.365 6.213 -6.832 451 HD13 ILE 61 3HD1 ILE 61 -7.032 6.686 -6.424 452 H ALA 62 H ALA 62 -6.219 1.017 -3.721 453 HA ALA 62 HA ALA 62 -4.242 -0.823 -4.642 454 HB1 ALA 62 1HB ALA 62 -6.888 -1.938 -4.103 455 HB2 ALA 62 2HB ALA 62 -5.349 -2.202 -3.248 456 HB3 ALA 62 3HB ALA 62 -6.376 -0.813 -2.822 457 H ASP 63 H ASP 63 -3.955 -1.453 -6.716 458 HA ASP 63 HA ASP 63 -6.295 -1.242 -8.443 459 HB2 ASP 63 1HB ASP 63 -3.395 -0.617 -8.809 460 HB3 ASP 63 2HB ASP 63 -4.154 -1.420 -10.169 461 HA PRO 64 HA PRO 64 -5.269 -5.645 -8.243 462 HB2 PRO 64 1HB PRO 64 -7.834 -6.587 -8.304 463 HB3 PRO 64 2HB PRO 64 -6.974 -6.244 -6.816 464 HG2 PRO 64 1HG PRO 64 -9.121 -4.684 -8.118 465 HG3 PRO 64 2HG PRO 64 -8.555 -4.603 -6.461 466 HD2 PRO 64 1HD PRO 64 -7.971 -2.746 -8.568 467 HD3 PRO 64 2HD PRO 64 -7.313 -2.729 -6.944 468 H GLU 65 H GLU 65 -6.312 -3.601 -10.536 469 HA GLU 65 HA GLU 65 -7.250 -5.382 -12.453 470 HB2 GLU 65 1HB GLU 65 -6.838 -2.606 -12.234 471 HB3 GLU 65 2HB GLU 65 -5.798 -3.082 -13.563 472 HG2 GLU 65 1HG GLU 65 -7.722 -4.243 -14.659 473 HG3 GLU 65 2HG GLU 65 -8.763 -3.784 -13.327 474 H SER 66 H SER 66 -3.966 -4.291 -11.513 475 HA SER 66 HA SER 66 -2.931 -6.471 -13.098 476 HB2 SER 66 1HB SER 66 -2.232 -3.555 -13.464 477 HB3 SER 66 2HB SER 66 -0.985 -4.760 -13.716 478 HG SER 66 HG SER 66 -2.993 -4.028 -15.397 479 H ARG 67 H ARG 67 -3.408 -5.948 -10.208 480 HA ARG 67 HA ARG 67 -2.425 -6.034 -8.281 481 HB2 ARG 67 1HB ARG 67 -0.498 -7.544 -10.058 482 HB3 ARG 67 2HB ARG 67 -0.027 -7.256 -8.395 483 HG2 ARG 67 1HG ARG 67 -1.276 -9.057 -7.809 484 HG3 ARG 67 2HG ARG 67 -2.705 -8.117 -8.195 485 HD2 ARG 67 1HD ARG 67 -3.154 -9.504 -9.935 486 HD3 ARG 67 2HD ARG 67 -1.637 -9.059 -10.691 487 HE ARG 67 HE ARG 67 -2.176 -11.495 -9.158 488 HH11 ARG 67 2HH2 ARG 67 0.336 -9.307 -10.291 489 HH12 ARG 67 1HH2 ARG 67 1.593 -10.495 -10.194 490 HH21 ARG 67 2HH1 ARG 67 -0.518 -13.063 -9.029 491 HH22 ARG 67 1HH1 ARG 67 1.103 -12.646 -9.471 492 H THR 68 H THR 68 -2.226 -3.497 -9.037 493 HA THR 68 HA THR 68 0.512 -2.745 -8.305 494 HB THR 68 HB THR 68 0.083 -0.811 -10.059 495 HG1 THR 68 1HG THR 68 -2.173 -1.579 -10.365 496 HG21 THR 68 1HG2 THR 68 0.932 -2.199 -11.932 497 HG22 THR 68 2HG2 THR 68 1.781 -2.640 -10.431 498 HG23 THR 68 3HG2 THR 68 0.480 -3.682 -11.057 499 H VAL 69 H VAL 69 0.494 -0.215 -7.856 500 HA VAL 69 HA VAL 69 -2.015 0.594 -6.658 501 HB VAL 69 HB VAL 69 0.517 0.158 -5.063 502 HG11 VAL 69 1HG1 VAL 69 -0.190 1.985 -3.936 503 HG12 VAL 69 2HG1 VAL 69 -1.835 1.895 -4.608 504 HG13 VAL 69 3HG1 VAL 69 -1.377 0.861 -3.234 505 HG21 VAL 69 1HG2 VAL 69 -2.245 -1.076 -4.783 506 HG22 VAL 69 2HG2 VAL 69 -0.804 -1.886 -5.443 507 HG23 VAL 69 3HG2 VAL 69 -0.840 -1.388 -3.735 508 H ALA 70 H ALA 70 -2.292 2.784 -6.846 509 HA ALA 70 HA ALA 70 -0.061 4.232 -8.032 510 HB1 ALA 70 1HB ALA 70 -1.694 5.162 -9.260 511 HB2 ALA 70 2HB ALA 70 -2.883 4.146 -8.411 512 HB3 ALA 70 3HB ALA 70 -2.490 5.767 -7.788 513 H VAL 71 H VAL 71 0.887 6.059 -7.092 514 HA VAL 71 HA VAL 71 -0.075 6.715 -4.398 515 HB VAL 71 HB VAL 71 2.774 6.288 -5.316 516 HG11 VAL 71 1HG1 VAL 71 3.506 6.958 -3.131 517 HG12 VAL 71 2HG1 VAL 71 2.474 8.256 -3.779 518 HG13 VAL 71 3HG1 VAL 71 1.829 7.132 -2.559 519 HG21 VAL 71 1HG2 VAL 71 2.214 4.161 -4.779 520 HG22 VAL 71 2HG2 VAL 71 2.448 4.735 -3.111 521 HG23 VAL 71 3HG2 VAL 71 0.811 4.661 -3.804 522 H LYS 72 H LYS 72 -0.359 8.876 -4.034 523 HA LYS 72 HA LYS 72 0.940 10.711 -5.908 524 HB2 LYS 72 1HB LYS 72 -1.255 10.418 -6.826 525 HB3 LYS 72 2HB LYS 72 -2.014 10.589 -5.256 526 HG2 LYS 72 1HG LYS 72 -1.819 12.890 -5.252 527 HG3 LYS 72 2HG LYS 72 -0.259 12.870 -6.049 528 HD2 LYS 72 1HD LYS 72 -1.299 13.444 -7.979 529 HD3 LYS 72 2HD LYS 72 -2.055 11.863 -7.992 530 HE2 LYS 72 1HE LYS 72 -3.744 13.043 -6.257 531 HE3 LYS 72 2HE LYS 72 -3.181 14.500 -7.051 532 HZ1 LYS 72 1HZ LYS 72 -4.394 12.169 -8.364 533 HZ2 LYS 72 2HZ LYS 72 -5.058 13.651 -8.196 534 HZ3 LYS 72 3HZ LYS 72 -3.762 13.442 -9.168 535 H GLN 73 H GLN 73 2.032 12.278 -4.849 536 HA GLN 73 HA GLN 73 1.764 12.379 -2.020 537 HB2 GLN 73 1HB GLN 73 3.991 12.576 -2.819 538 HB3 GLN 73 2HB GLN 73 3.551 13.734 -4.058 539 HG2 GLN 73 1HG GLN 73 3.210 15.495 -2.434 540 HG3 GLN 73 2HG GLN 73 3.247 14.367 -1.093 541 HE21 GLN 73 1HE2 GLN 73 4.865 16.765 -1.792 542 HE22 GLN 73 2HE2 GLN 73 6.524 16.272 -1.721 543 H LEU 74 H LEU 74 0.382 13.681 -0.900 544 HA LEU 74 HA LEU 74 -0.581 16.081 -2.297 545 HB2 LEU 74 1HB LEU 74 -2.210 14.763 -0.180 546 HB3 LEU 74 2HB LEU 74 -2.714 15.738 -1.546 547 HG LEU 74 HG LEU 74 -1.469 13.164 -2.282 548 HD11 LEU 74 1HD1 LEU 74 -2.615 11.814 -0.948 549 HD12 LEU 74 2HD1 LEU 74 -3.445 13.197 -0.194 550 HD13 LEU 74 3HD1 LEU 74 -4.123 12.441 -1.656 551 HD21 LEU 74 1HD2 LEU 74 -2.440 14.546 -3.982 552 HD22 LEU 74 2HD2 LEU 74 -3.451 13.093 -3.797 553 HD23 LEU 74 3HD2 LEU 74 -3.983 14.641 -3.099 554 H GLY 75 H GLY 75 1.565 15.052 -0.038 555 HA2 GLY 75 1HA GLY 75 0.889 17.060 1.990 556 HA3 GLY 75 2HA GLY 75 2.090 15.789 2.115 557 H VAL 76 H VAL 76 3.817 17.191 2.701 558 HA VAL 76 HA VAL 76 4.653 18.993 0.534 559 HB VAL 76 HB VAL 76 4.170 20.457 2.223 560 HG11 VAL 76 1HG1 VAL 76 3.411 18.989 3.933 561 HG12 VAL 76 2HG1 VAL 76 5.036 18.303 4.169 562 HG13 VAL 76 3HG1 VAL 76 4.697 19.979 4.663 563 HG21 VAL 76 1HG2 VAL 76 6.941 19.751 3.189 564 HG22 VAL 76 2HG2 VAL 76 6.671 20.413 1.558 565 HG23 VAL 76 3HG2 VAL 76 6.192 21.354 2.991 566 H ASN 77 H ASN 77 5.673 16.765 3.191 567 HA ASN 77 HA ASN 77 8.352 16.779 2.552 568 HB2 ASN 77 1HB ASN 77 6.897 14.307 3.582 569 HB3 ASN 77 2HB ASN 77 8.515 14.846 3.982 570 HD21 ASN 77 1HD2 ASN 77 8.852 16.208 5.623 571 HD22 ASN 77 2HD2 ASN 77 7.625 16.901 6.630 572 HA PRO 78 HA PRO 78 8.261 14.322 -1.094 573 HB2 PRO 78 1HB PRO 78 10.927 13.782 -1.355 574 HB3 PRO 78 2HB PRO 78 10.198 15.285 -1.884 575 HG2 PRO 78 1HG PRO 78 11.871 14.774 0.499 576 HG3 PRO 78 2HG PRO 78 11.494 16.303 -0.271 577 HD2 PRO 78 1HD PRO 78 10.353 15.273 2.151 578 HD3 PRO 78 2HD PRO 78 9.894 16.746 1.319 579 H SER 79 H SER 79 7.443 12.355 -1.385 580 HA SER 79 HA SER 79 8.311 10.415 0.567 581 HB2 SER 79 1HB SER 79 5.984 10.644 -1.346 582 HB3 SER 79 2HB SER 79 6.423 9.061 -0.738 583 HG SER 79 HG SER 79 4.831 10.079 0.620 584 H THR 80 H THR 80 8.794 8.128 -0.202 585 HA THR 80 HA THR 80 10.071 8.184 -2.858 586 HB THR 80 HB THR 80 11.029 6.840 -0.275 587 HG1 THR 80 1HG THR 80 11.795 9.158 -1.904 588 HG21 THR 80 1HG2 THR 80 13.174 6.628 -1.615 589 HG22 THR 80 2HG2 THR 80 11.856 5.611 -2.245 590 HG23 THR 80 3HG2 THR 80 12.269 7.139 -3.060 591 H VAL 81 H VAL 81 9.295 6.767 -4.283 592 HA VAL 81 HA VAL 81 7.657 4.595 -3.197 593 HB VAL 81 HB VAL 81 7.667 6.182 -5.737 594 HG11 VAL 81 1HG1 VAL 81 5.788 4.306 -6.300 595 HG12 VAL 81 2HG1 VAL 81 7.461 4.251 -6.905 596 HG13 VAL 81 3HG1 VAL 81 7.002 3.304 -5.469 597 HG21 VAL 81 1HG2 VAL 81 5.891 7.090 -4.740 598 HG22 VAL 81 2HG2 VAL 81 5.064 5.518 -4.855 599 HG23 VAL 81 3HG2 VAL 81 6.000 5.926 -3.397 600 H GLY 82 H GLY 82 9.631 3.386 -2.602 601 HA2 GLY 82 1HA GLY 82 10.610 1.355 -3.265 602 HA3 GLY 82 2HA GLY 82 10.635 1.898 -4.931 603 H VAL 83 H VAL 83 12.320 3.276 -5.695 604 HA VAL 83 HA VAL 83 14.388 3.923 -3.727 605 HB VAL 83 HB VAL 83 14.907 1.773 -4.855 606 HG11 VAL 83 1HG1 VAL 83 15.784 2.775 -7.389 607 HG12 VAL 83 2HG1 VAL 83 14.592 1.499 -7.044 608 HG13 VAL 83 3HG1 VAL 83 14.066 3.194 -7.180 609 HG21 VAL 83 1HG2 VAL 83 16.919 2.547 -4.212 610 HG22 VAL 83 2HG2 VAL 83 17.162 2.913 -5.937 611 HG23 VAL 83 3HG2 VAL 83 16.595 4.185 -4.828 612 H GLN 84 H GLN 84 12.118 5.273 -5.396 613 HA GLN 84 HA GLN 84 13.898 7.282 -6.536 614 HB2 GLN 84 1HB GLN 84 12.877 6.265 -8.436 615 HB3 GLN 84 2HB GLN 84 11.317 6.141 -7.648 616 HG2 GLN 84 1HG GLN 84 10.712 8.240 -8.290 617 HG3 GLN 84 2HG GLN 84 12.224 8.930 -7.733 618 HE21 GLN 84 1HE2 GLN 84 10.488 9.117 -10.235 619 HE22 GLN 84 2HE2 GLN 84 11.590 8.957 -11.561 620 H GLU 85 H GLU 85 13.457 9.435 -5.986 621 HA GLU 85 HA GLU 85 11.634 9.734 -3.809 622 HB2 GLU 85 1HB GLU 85 14.048 10.861 -4.376 623 HB3 GLU 85 2HB GLU 85 12.999 12.120 -4.997 624 HG2 GLU 85 1HG GLU 85 12.274 12.732 -2.907 625 HG3 GLU 85 2HG GLU 85 12.141 11.074 -2.356 626 H LEU 86 H LEU 86 9.755 11.067 -3.760 627 HA LEU 86 HA LEU 86 8.697 11.630 -6.430 628 HB2 LEU 86 1HB LEU 86 7.476 10.930 -3.788 629 HB3 LEU 86 2HB LEU 86 6.536 11.834 -4.959 630 HG LEU 86 HG LEU 86 7.634 9.036 -5.188 631 HD11 LEU 86 1HD1 LEU 86 5.522 8.999 -4.195 632 HD12 LEU 86 2HD1 LEU 86 4.896 10.294 -5.244 633 HD13 LEU 86 3HD1 LEU 86 5.193 8.671 -5.913 634 HD21 LEU 86 1HD2 LEU 86 6.672 9.107 -7.560 635 HD22 LEU 86 2HD2 LEU 86 6.791 10.878 -7.422 636 HD23 LEU 86 3HD2 LEU 86 8.254 9.874 -7.285 637 H LYS 87 H LYS 87 6.797 13.537 -5.934 638 HA LYS 87 HA LYS 87 8.152 15.696 -4.525 639 HB2 LYS 87 1HB LYS 87 7.993 15.439 -7.431 640 HB3 LYS 87 2HB LYS 87 7.248 16.919 -6.861 641 HG2 LYS 87 1HG LYS 87 9.243 17.734 -5.921 642 HG3 LYS 87 2HG LYS 87 9.917 16.133 -5.689 643 HD2 LYS 87 1HD LYS 87 11.173 16.881 -7.517 644 HD3 LYS 87 2HD LYS 87 9.889 16.010 -8.332 645 HE2 LYS 87 1HE LYS 87 8.843 18.615 -7.952 646 HE3 LYS 87 2HE LYS 87 10.516 18.878 -8.401 647 HZ1 LYS 87 1HZ LYS 87 8.766 17.061 -9.895 648 HZ2 LYS 87 2HZ LYS 87 8.909 18.646 -10.264 649 HZ3 LYS 87 3HZ LYS 87 10.210 17.664 -10.361 650 HA PRO 88 HA PRO 88 4.108 16.870 -3.558 651 HB2 PRO 88 1HB PRO 88 4.078 19.600 -3.681 652 HB3 PRO 88 2HB PRO 88 4.774 18.709 -2.342 653 HG2 PRO 88 1HG PRO 88 6.151 20.133 -4.536 654 HG3 PRO 88 2HG PRO 88 6.794 19.613 -2.991 655 HD2 PRO 88 1HD PRO 88 7.219 18.360 -5.536 656 HD3 PRO 88 2HD PRO 88 7.765 17.776 -3.977 657 H GLY 89 H GLY 89 2.400 16.200 -4.686 658 HA2 GLY 89 1HA GLY 89 0.624 16.750 -6.086 659 HA3 GLY 89 2HA GLY 89 1.617 17.934 -6.913 660 H LEU 90 H LEU 90 3.563 15.215 -6.454 661 HA LEU 90 HA LEU 90 3.236 14.478 -9.225 662 HB2 LEU 90 1HB LEU 90 5.405 14.815 -7.709 663 HB3 LEU 90 2HB LEU 90 5.154 13.107 -7.410 664 HG LEU 90 HG LEU 90 5.481 12.530 -9.671 665 HD11 LEU 90 1HD1 LEU 90 4.275 13.904 -11.033 666 HD12 LEU 90 2HD1 LEU 90 4.815 15.388 -10.212 667 HD13 LEU 90 3HD1 LEU 90 5.906 14.548 -11.340 668 HD21 LEU 90 1HD2 LEU 90 7.694 12.942 -9.848 669 HD22 LEU 90 2HD2 LEU 90 7.500 14.701 -9.663 670 HD23 LEU 90 3HD2 LEU 90 7.464 13.646 -8.229 671 H SER 91 H SER 91 3.677 11.851 -9.459 672 HA SER 91 HA SER 91 2.150 10.376 -7.577 673 HB2 SER 91 1HB SER 91 0.904 9.960 -10.203 674 HB3 SER 91 2HB SER 91 0.150 10.190 -8.638 675 HG SER 91 HG SER 91 0.116 12.391 -8.911 676 H GLY 92 H GLY 92 2.573 8.117 -7.783 677 HA2 GLY 92 1HA GLY 92 4.115 7.274 -10.144 678 HA3 GLY 92 2HA GLY 92 4.800 7.066 -8.545 679 H SER 93 H SER 93 4.741 4.708 -9.318 680 HA SER 93 HA SER 93 2.174 3.610 -8.499 681 HB2 SER 93 1HB SER 93 2.255 1.923 -10.228 682 HB3 SER 93 2HB SER 93 2.462 3.481 -11.003 683 HG SER 93 HG SER 93 4.550 3.035 -11.482 684 H LEU 94 H LEU 94 2.337 1.460 -7.470 685 HA LEU 94 HA LEU 94 5.081 0.804 -6.660 686 HB2 LEU 94 1HB LEU 94 2.932 1.766 -5.037 687 HB3 LEU 94 2HB LEU 94 3.262 0.103 -4.594 688 HG LEU 94 HG LEU 94 5.789 1.340 -4.796 689 HD11 LEU 94 1HD1 LEU 94 4.565 3.511 -4.750 690 HD12 LEU 94 2HD1 LEU 94 3.920 3.066 -3.152 691 HD13 LEU 94 3HD1 LEU 94 5.674 3.273 -3.378 692 HD21 LEU 94 1HD2 LEU 94 5.265 -0.451 -3.270 693 HD22 LEU 94 2HD2 LEU 94 5.849 0.955 -2.347 694 HD23 LEU 94 3HD2 LEU 94 4.110 0.580 -2.392 695 H SER 95 H SER 95 5.644 -1.308 -6.929 696 HA SER 95 HA SER 95 3.551 -3.009 -7.963 697 HB2 SER 95 1HB SER 95 6.481 -3.760 -7.791 698 HB3 SER 95 2HB SER 95 5.278 -4.320 -8.935 699 HG SER 95 HG SER 95 6.054 -2.796 -10.221 700 H LEU 96 H LEU 96 3.696 -5.433 -7.268 701 HA LEU 96 HA LEU 96 3.283 -5.568 -4.510 702 HB2 LEU 96 1HB LEU 96 3.226 -7.351 -6.821 703 HB3 LEU 96 2HB LEU 96 3.744 -8.160 -5.355 704 HG LEU 96 HG LEU 96 1.192 -6.544 -5.597 705 HD11 LEU 96 1HD1 LEU 96 -0.026 -8.510 -5.952 706 HD12 LEU 96 2HD1 LEU 96 1.373 -8.654 -7.044 707 HD13 LEU 96 3HD1 LEU 96 1.346 -9.554 -5.508 708 HD21 LEU 96 1HD2 LEU 96 2.398 -6.942 -3.312 709 HD22 LEU 96 2HD2 LEU 96 0.641 -7.188 -3.454 710 HD23 LEU 96 3HD2 LEU 96 1.740 -8.588 -3.471 711 H GLY 97 H GLY 97 4.830 -5.207 -3.006 712 HA2 GLY 97 1HA GLY 97 6.638 -6.351 -1.861 713 HA3 GLY 97 2HA GLY 97 7.425 -6.568 -3.412 714 H ASP 98 H ASP 98 6.550 -3.800 -4.347 715 HA ASP 98 HA ASP 98 8.842 -2.468 -3.713 716 HB2 ASP 98 1HB ASP 98 6.140 -1.669 -4.788 717 HB3 ASP 98 2HB ASP 98 7.240 -0.384 -4.332 718 H VAL 99 H VAL 99 9.134 -0.456 -2.364 719 HA VAL 99 HA VAL 99 7.409 -0.550 0.006 720 HB VAL 99 HB VAL 99 10.273 0.296 -0.435 721 HG11 VAL 99 1HG1 VAL 99 9.207 1.913 1.072 722 HG12 VAL 99 2HG1 VAL 99 8.614 0.581 2.094 723 HG13 VAL 99 3HG1 VAL 99 10.362 0.882 1.950 724 HG21 VAL 99 1HG2 VAL 99 9.768 -1.534 1.755 725 HG22 VAL 99 2HG2 VAL 99 9.096 -2.169 0.234 726 HG23 VAL 99 3HG2 VAL 99 10.818 -1.729 0.330 727 H LEU 100 H LEU 100 6.982 1.588 1.080 728 HA LEU 100 HA LEU 100 7.104 3.838 -0.765 729 HB2 LEU 100 1HB LEU 100 5.001 2.979 -1.343 730 HB3 LEU 100 2HB LEU 100 4.592 2.593 0.316 731 HG LEU 100 HG LEU 100 4.517 5.055 0.810 732 HD11 LEU 100 1HD1 LEU 100 4.580 6.686 -0.874 733 HD12 LEU 100 2HD1 LEU 100 5.970 5.627 -1.215 734 HD13 LEU 100 3HD1 LEU 100 4.480 5.477 -2.177 735 HD21 LEU 100 1HD2 LEU 100 2.432 4.030 0.584 736 HD22 LEU 100 2HD2 LEU 100 2.355 5.412 -0.535 737 HD23 LEU 100 3HD2 LEU 100 2.638 3.771 -1.165 738 H TYR 101 H TYR 101 8.760 4.605 0.676 739 HA TYR 101 HA TYR 101 8.407 4.796 3.441 740 HB2 TYR 101 1HB TYR 101 9.934 6.482 1.359 741 HB3 TYR 101 2HB TYR 101 10.257 6.556 3.080 742 HD1 TYR 101 2HD TYR 101 11.089 4.437 4.254 743 HD2 TYR 101 1HD TYR 101 10.961 4.841 -0.003 744 HE1 TYR 101 2HE TYR 101 12.754 2.530 4.016 745 HE2 TYR 101 1HE TYR 101 12.627 2.933 -0.227 746 HH TYR 101 HH TYR 101 14.250 1.812 0.988 747 H LEU 102 H LEU 102 6.520 5.714 4.220 748 HA LEU 102 HA LEU 102 4.974 7.622 3.207 749 HB2 LEU 102 1HB LEU 102 5.590 6.616 5.847 750 HB3 LEU 102 2HB LEU 102 5.172 8.316 5.916 751 HG LEU 102 HG LEU 102 3.288 6.958 4.215 752 HD11 LEU 102 1HD1 LEU 102 4.255 5.140 5.998 753 HD12 LEU 102 2HD1 LEU 102 2.903 5.845 6.917 754 HD13 LEU 102 3HD1 LEU 102 2.611 5.123 5.316 755 HD21 LEU 102 1HD2 LEU 102 1.671 7.981 5.629 756 HD22 LEU 102 2HD2 LEU 102 2.843 8.156 6.957 757 HD23 LEU 102 3HD2 LEU 102 3.029 9.121 5.473 758 H VAL 103 H VAL 103 7.816 8.376 5.351 759 HA VAL 103 HA VAL 103 8.549 10.565 3.692 760 HB VAL 103 HB VAL 103 6.709 11.673 4.708 761 HG11 VAL 103 1HG1 VAL 103 6.507 10.042 6.633 762 HG12 VAL 103 2HG1 VAL 103 7.785 10.971 7.454 763 HG13 VAL 103 3HG1 VAL 103 6.238 11.752 7.046 764 HG21 VAL 103 1HG2 VAL 103 7.786 13.533 5.802 765 HG22 VAL 103 2HG2 VAL 103 9.188 12.526 6.238 766 HG23 VAL 103 3HG2 VAL 103 8.870 12.919 4.531 767 H ASN 104 H ASN 104 10.452 11.789 4.782 768 HA ASN 104 HA ASN 104 12.482 11.635 5.538 769 HB2 ASN 104 1HB ASN 104 10.766 11.182 7.736 770 HB3 ASN 104 2HB ASN 104 11.969 9.918 7.893 771 HD21 ASN 104 1HD2 ASN 104 11.228 13.182 8.336 772 HD22 ASN 104 2HD2 ASN 104 12.784 13.782 8.800 773 H GLY 105 H GLY 105 11.493 9.438 3.769 774 HA2 GLY 105 1HA GLY 105 12.072 7.400 3.012 775 HA3 GLY 105 2HA GLY 105 13.651 7.746 3.689 776 H LEU 106 H LEU 106 10.924 7.722 5.915 777 HA LEU 106 HA LEU 106 11.816 5.086 6.859 778 HB2 LEU 106 1HB LEU 106 10.943 7.547 8.359 779 HB3 LEU 106 2HB LEU 106 10.936 5.957 9.094 780 HG LEU 106 HG LEU 106 13.367 7.365 7.954 781 HD11 LEU 106 1HD1 LEU 106 12.859 8.516 9.917 782 HD12 LEU 106 2HD1 LEU 106 12.312 7.045 10.757 783 HD13 LEU 106 3HD1 LEU 106 14.045 7.295 10.437 784 HD21 LEU 106 1HD2 LEU 106 13.691 5.026 7.665 785 HD22 LEU 106 2HD2 LEU 106 14.619 5.511 9.104 786 HD23 LEU 106 3HD2 LEU 106 13.062 4.668 9.291 787 H TYR 107 H TYR 107 9.776 4.481 8.617 788 HA TYR 107 HA TYR 107 7.837 3.376 8.526 789 HB2 TYR 107 1HB TYR 107 6.867 5.939 7.139 790 HB3 TYR 107 2HB TYR 107 5.972 4.967 8.290 791 HD1 TYR 107 2HD TYR 107 7.455 4.684 10.638 792 HD2 TYR 107 1HD TYR 107 7.500 8.009 7.946 793 HE1 TYR 107 2HE TYR 107 8.233 6.207 12.520 794 HE2 TYR 107 1HE TYR 107 8.278 9.520 9.837 795 HH TYR 107 HH TYR 107 9.647 9.011 12.099 796 HA PRO 108 HA PRO 108 7.976 2.558 4.025 797 HB2 PRO 108 1HB PRO 108 9.233 0.131 4.061 798 HB3 PRO 108 2HB PRO 108 10.073 1.641 3.770 799 HG2 PRO 108 1HG PRO 108 10.053 -0.029 6.209 800 HG3 PRO 108 2HG PRO 108 11.188 1.223 5.745 801 HD2 PRO 108 1HD PRO 108 9.082 1.447 7.679 802 HD3 PRO 108 2HD PRO 108 10.142 2.730 7.131 803 H LEU 109 H LEU 109 6.377 1.571 2.876 804 HA LEU 109 HA LEU 109 4.857 -0.347 4.503 805 HB2 LEU 109 1HB LEU 109 3.965 1.888 2.709 806 HB3 LEU 109 2HB LEU 109 2.928 0.505 2.994 807 HG LEU 109 HG LEU 109 2.241 2.177 4.510 808 HD11 LEU 109 1HD1 LEU 109 2.796 -0.260 5.369 809 HD12 LEU 109 2HD1 LEU 109 3.962 0.617 6.389 810 HD13 LEU 109 3HD1 LEU 109 2.229 1.013 6.477 811 HD21 LEU 109 1HD2 LEU 109 3.898 3.788 4.575 812 HD22 LEU 109 2HD2 LEU 109 3.986 3.091 6.211 813 HD23 LEU 109 3HD2 LEU 109 5.175 2.615 4.975 814 H THR 110 H THR 110 5.477 -2.330 3.767 815 HA THR 110 HA THR 110 6.151 -2.710 1.001 816 HB THR 110 HB THR 110 5.769 -4.704 3.296 817 HG1 THR 110 1HG THR 110 7.597 -3.658 3.969 818 HG21 THR 110 1HG2 THR 110 7.809 -5.686 1.847 819 HG22 THR 110 2HG2 THR 110 6.126 -6.083 1.424 820 HG23 THR 110 3HG2 THR 110 6.992 -4.810 0.530 821 H LEU 111 H LEU 111 4.862 -3.227 -0.652 822 HA LEU 111 HA LEU 111 2.065 -3.601 -0.086 823 HB2 LEU 111 1HB LEU 111 2.532 -2.142 -1.851 824 HB3 LEU 111 2HB LEU 111 3.721 -3.216 -2.560 825 HG LEU 111 HG LEU 111 1.956 -4.765 -3.256 826 HD11 LEU 111 1HD1 LEU 111 -0.056 -4.796 -2.327 827 HD12 LEU 111 2HD1 LEU 111 0.408 -3.413 -1.307 828 HD13 LEU 111 3HD1 LEU 111 -0.371 -3.134 -2.883 829 HD21 LEU 111 1HD2 LEU 111 2.428 -3.338 -4.991 830 HD22 LEU 111 2HD2 LEU 111 0.687 -3.036 -4.776 831 HD23 LEU 111 3HD2 LEU 111 1.878 -1.895 -4.107 832 H ARG 112 H ARG 112 0.973 -5.507 -0.019 833 HA ARG 112 HA ARG 112 2.367 -7.805 -1.114 834 HB2 ARG 112 1HB ARG 112 1.100 -7.530 1.646 835 HB3 ARG 112 2HB ARG 112 1.340 -9.103 0.912 836 HG2 ARG 112 1HG ARG 112 3.602 -7.082 1.229 837 HG3 ARG 112 2HG ARG 112 3.222 -8.269 2.461 838 HD2 ARG 112 1HD ARG 112 3.780 -10.112 1.028 839 HD3 ARG 112 2HD ARG 112 3.705 -9.125 -0.419 840 HE ARG 112 HE ARG 112 5.702 -7.994 1.256 841 HH11 ARG 112 2HH2 ARG 112 5.141 -10.968 -0.538 842 HH12 ARG 112 1HH2 ARG 112 6.825 -11.283 -0.792 843 HH21 ARG 112 2HH1 ARG 112 7.924 -8.408 0.921 844 HH22 ARG 112 1HH1 ARG 112 8.419 -9.817 0.043 845 H TRP 113 H TRP 113 0.864 -9.645 -1.647 846 HA TRP 113 HA TRP 113 -1.927 -8.760 -1.879 847 HB2 TRP 113 1HB TRP 113 -1.410 -8.467 -4.055 848 HB3 TRP 113 2HB TRP 113 -0.036 -9.554 -4.007 849 HD1 TRP 113 HD TRP 113 -0.962 -12.351 -3.731 850 HE1 TRP 113 1HE TRP 113 -2.794 -13.605 -5.157 851 HE3 TRP 113 3HE TRP 113 -3.336 -8.153 -5.344 852 HZ2 TRP 113 2HZ TRP 113 -4.981 -12.721 -6.764 853 HZ3 TRP 113 3HZ TRP 113 -5.310 -8.437 -6.838 854 HH2 TRP 113 HH TRP 113 -6.139 -10.623 -7.549 855 H SER 114 H SER 114 -3.400 -10.322 -1.232 856 HA SER 114 HA SER 114 -2.329 -12.584 0.068 857 HB2 SER 114 1HB SER 114 -4.342 -11.332 0.865 858 HB3 SER 114 2HB SER 114 -5.227 -11.859 -0.554 859 HG SER 114 HG SER 114 -4.463 -13.323 1.755 860 H GLY 115 H GLY 115 -2.462 -14.799 -0.533 861 HA2 GLY 115 1HA GLY 115 -3.875 -15.586 -2.921 862 HA3 GLY 115 2HA GLY 115 -2.134 -15.543 -3.116 863 HA PRO 116 HA PRO 116 -3.449 -18.973 -0.075 864 HB2 PRO 116 1HB PRO 116 -5.808 -20.201 -0.704 865 HB3 PRO 116 2HB PRO 116 -5.667 -18.979 0.544 866 HG2 PRO 116 1HG PRO 116 -6.816 -18.734 -2.168 867 HG3 PRO 116 2HG PRO 116 -7.041 -17.686 -0.782 868 HD2 PRO 116 1HD PRO 116 -5.373 -17.184 -3.061 869 HD3 PRO 116 2HD PRO 116 -5.509 -16.192 -1.623 870 H SER 117 H SER 117 -3.167 -21.311 -0.206 871 HA SER 117 HA SER 117 -2.390 -21.904 -2.949 872 HB2 SER 117 1HB SER 117 -0.747 -23.422 -2.056 873 HB3 SER 117 2HB SER 117 -0.610 -21.931 -1.146 874 HG SER 117 HG SER 117 -1.778 -22.881 0.593 875 H SER 118 H SER 118 -2.472 -24.446 -3.383 876 HA SER 118 HA SER 118 -3.635 -26.269 -3.596 877 HB2 SER 118 1HB SER 118 -4.240 -25.507 -0.813 878 HB3 SER 118 2HB SER 118 -5.527 -26.449 -1.537 879 HG SER 118 HG SER 118 -3.804 -27.725 -0.474 880 H GLY 119 H GLY 119 -5.242 -26.558 -5.110 881 HA2 GLY 119 1HA GLY 119 -7.702 -26.365 -5.402 882 HA3 GLY 119 2HA GLY 119 -7.515 -24.663 -5.028 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -19.026 -7.234 1.534 2 HA2 GLY 1 1HA GLY 1 -17.590 -7.496 3.562 3 HA3 GLY 1 2HA GLY 1 -16.690 -6.116 2.966 4 H SER 2 H SER 2 -17.851 -4.008 2.702 5 HA SER 2 HA SER 2 -20.221 -3.906 4.392 6 HB2 SER 2 1HB SER 2 -17.716 -2.203 4.521 7 HB3 SER 2 2HB SER 2 -19.249 -1.558 5.075 8 HG SER 2 HG SER 2 -18.724 -4.128 6.056 9 H SER 3 H SER 3 -21.919 -3.082 3.231 10 HA SER 3 HA SER 3 -21.694 -0.718 1.796 11 HB2 SER 3 1HB SER 3 -22.221 -1.699 -0.510 12 HB3 SER 3 2HB SER 3 -20.565 -1.868 0.037 13 HG SER 3 HG SER 3 -20.784 -3.977 -0.178 14 H GLY 4 H GLY 4 -23.698 0.123 2.227 15 HA2 GLY 4 1HA GLY 4 -26.012 0.154 1.833 16 HA3 GLY 4 2HA GLY 4 -26.042 -1.598 1.803 17 H SER 5 H SER 5 -27.085 -2.456 3.539 18 HA SER 5 HA SER 5 -26.800 -1.001 6.049 19 HB2 SER 5 1HB SER 5 -29.127 -1.675 4.704 20 HB3 SER 5 2HB SER 5 -28.982 -3.004 5.836 21 HG SER 5 HG SER 5 -29.516 -0.278 6.313 22 H SER 6 H SER 6 -27.385 -4.347 4.725 23 HA SER 6 HA SER 6 -25.191 -5.395 6.088 24 HB2 SER 6 1HB SER 6 -27.755 -5.351 7.552 25 HB3 SER 6 2HB SER 6 -27.096 -6.967 7.400 26 HG SER 6 HG SER 6 -25.153 -5.079 8.082 27 H GLY 7 H GLY 7 -24.570 -7.003 4.695 28 HA2 GLY 7 1HA GLY 7 -25.935 -9.238 4.004 29 HA3 GLY 7 2HA GLY 7 -26.464 -8.075 2.804 30 H MET 8 H MET 8 -24.102 -10.387 3.561 31 HA MET 8 HA MET 8 -22.133 -9.084 1.863 32 HB2 MET 8 1HB MET 8 -21.783 -10.282 4.282 33 HB3 MET 8 2HB MET 8 -21.630 -11.712 3.280 34 HG2 MET 8 1HG MET 8 -20.041 -9.821 1.940 35 HG3 MET 8 2HG MET 8 -19.746 -9.463 3.630 36 HE1 MET 8 1HE MET 8 -18.355 -10.792 5.172 37 HE2 MET 8 2HE MET 8 -17.120 -11.865 4.472 38 HE3 MET 8 3HE MET 8 -17.319 -10.210 3.847 39 H SER 9 H SER 9 -22.828 -9.496 -0.249 40 HA SER 9 HA SER 9 -22.554 -12.223 -1.063 41 HB2 SER 9 1HB SER 9 -25.102 -11.500 -0.437 42 HB3 SER 9 2HB SER 9 -25.055 -10.938 -2.096 43 HG SER 9 HG SER 9 -23.981 -13.305 -2.310 44 H GLN 10 H GLN 10 -20.718 -11.397 -2.226 45 HA GLN 10 HA GLN 10 -21.419 -10.304 -4.742 46 HB2 GLN 10 1HB GLN 10 -20.068 -8.257 -4.614 47 HB3 GLN 10 2HB GLN 10 -21.333 -8.217 -3.403 48 HG2 GLN 10 1HG GLN 10 -19.400 -9.375 -1.901 49 HG3 GLN 10 2HG GLN 10 -18.362 -8.542 -3.041 50 HE21 GLN 10 1HE2 GLN 10 -20.098 -8.309 -0.211 51 HE22 GLN 10 2HE2 GLN 10 -20.143 -6.590 -0.003 52 H LEU 11 H LEU 11 -20.040 -11.184 -6.245 53 HA LEU 11 HA LEU 11 -17.533 -12.288 -5.189 54 HB2 LEU 11 1HB LEU 11 -19.243 -13.221 -7.499 55 HB3 LEU 11 2HB LEU 11 -17.693 -13.904 -7.048 56 HG LEU 11 HG LEU 11 -19.563 -13.843 -4.800 57 HD11 LEU 11 1HD1 LEU 11 -21.117 -14.095 -6.804 58 HD12 LEU 11 2HD1 LEU 11 -20.346 -15.678 -7.066 59 HD13 LEU 11 3HD1 LEU 11 -21.208 -15.350 -5.544 60 HD21 LEU 11 1HD2 LEU 11 -17.452 -15.098 -4.831 61 HD22 LEU 11 2HD2 LEU 11 -18.855 -16.159 -4.560 62 HD23 LEU 11 3HD2 LEU 11 -18.074 -16.107 -6.159 63 H GLY 12 H GLY 12 -15.606 -12.049 -6.451 64 HA2 GLY 12 1HA GLY 12 -14.938 -11.190 -8.767 65 HA3 GLY 12 2HA GLY 12 -15.741 -9.719 -8.253 66 H SER 13 H SER 13 -13.406 -12.125 -6.822 67 HA SER 13 HA SER 13 -11.441 -10.121 -6.560 68 HB2 SER 13 1HB SER 13 -11.301 -10.290 -4.021 69 HB3 SER 13 2HB SER 13 -12.656 -9.366 -4.637 70 HG SER 13 HG SER 13 -12.627 -11.927 -3.378 71 H ARG 14 H ARG 14 -9.614 -11.281 -7.032 72 HA ARG 14 HA ARG 14 -9.549 -14.011 -6.019 73 HB2 ARG 14 1HB ARG 14 -8.343 -12.835 -8.572 74 HB3 ARG 14 2HB ARG 14 -7.968 -14.446 -7.991 75 HG2 ARG 14 1HG ARG 14 -9.826 -15.226 -9.025 76 HG3 ARG 14 2HG ARG 14 -10.811 -14.264 -7.941 77 HD2 ARG 14 1HD ARG 14 -10.578 -12.298 -9.493 78 HD3 ARG 14 2HD ARG 14 -9.624 -13.283 -10.584 79 HE ARG 14 HE ARG 14 -12.533 -13.458 -10.149 80 HH11 ARG 14 2HH2 ARG 14 -9.672 -15.029 -11.463 81 HH12 ARG 14 1HH2 ARG 14 -10.569 -16.047 -12.539 82 HH21 ARG 14 2HH1 ARG 14 -13.717 -14.801 -11.568 83 HH22 ARG 14 1HH1 ARG 14 -12.886 -15.917 -12.599 84 H GLY 15 H GLY 15 -8.615 -11.307 -4.869 85 HA2 GLY 15 1HA GLY 15 -6.522 -11.906 -3.380 86 HA3 GLY 15 2HA GLY 15 -5.708 -11.593 -4.900 87 H ARG 16 H ARG 16 -6.773 -10.185 -2.024 88 HA ARG 16 HA ARG 16 -7.206 -7.607 -3.254 89 HB2 ARG 16 1HB ARG 16 -8.363 -8.874 -1.040 90 HB3 ARG 16 2HB ARG 16 -7.248 -7.750 -0.290 91 HG2 ARG 16 1HG ARG 16 -8.987 -6.269 -0.545 92 HG3 ARG 16 2HG ARG 16 -8.328 -6.088 -2.158 93 HD2 ARG 16 1HD ARG 16 -10.290 -8.333 -1.703 94 HD3 ARG 16 2HD ARG 16 -10.924 -6.700 -1.739 95 HE ARG 16 HE ARG 16 -9.107 -7.362 -3.965 96 HH11 ARG 16 2HH2 ARG 16 -12.439 -7.231 -2.842 97 HH12 ARG 16 1HH2 ARG 16 -13.111 -7.202 -4.438 98 HH21 ARG 16 2HH1 ARG 16 -9.993 -7.325 -6.071 99 HH22 ARG 16 1HH1 ARG 16 -11.710 -7.256 -6.287 100 H LEU 17 H LEU 17 -5.819 -5.798 -2.849 101 HA LEU 17 HA LEU 17 -3.150 -6.543 -2.056 102 HB2 LEU 17 1HB LEU 17 -4.308 -3.948 -3.082 103 HB3 LEU 17 2HB LEU 17 -2.608 -4.239 -2.771 104 HG LEU 17 HG LEU 17 -3.780 -6.251 -4.548 105 HD11 LEU 17 1HD1 LEU 17 -3.687 -3.405 -5.579 106 HD12 LEU 17 2HD1 LEU 17 -4.150 -4.872 -6.475 107 HD13 LEU 17 3HD1 LEU 17 -5.179 -4.275 -5.150 108 HD21 LEU 17 1HD2 LEU 17 -1.414 -4.369 -4.753 109 HD22 LEU 17 2HD2 LEU 17 -1.397 -6.069 -4.226 110 HD23 LEU 17 3HD2 LEU 17 -1.795 -5.664 -5.913 111 H TRP 18 H TRP 18 -1.913 -5.336 -0.421 112 HA TRP 18 HA TRP 18 -3.273 -3.656 1.412 113 HB2 TRP 18 1HB TRP 18 -3.009 -5.233 3.372 114 HB3 TRP 18 2HB TRP 18 -4.367 -5.505 2.300 115 HD1 TRP 18 HD TRP 18 -4.245 -7.759 0.731 116 HE1 TRP 18 1HE TRP 18 -2.933 -10.042 0.906 117 HE3 TRP 18 3HE TRP 18 -0.822 -6.137 4.124 118 HZ2 TRP 18 2HZ TRP 18 -0.662 -10.894 2.409 119 HZ3 TRP 18 3HZ TRP 18 0.909 -7.758 4.893 120 HH2 TRP 18 HH TRP 18 1.023 -10.064 4.092 121 H LEU 19 H LEU 19 -1.691 -3.332 3.408 122 HA LEU 19 HA LEU 19 1.031 -3.476 2.317 123 HB2 LEU 19 1HB LEU 19 -0.035 -1.504 4.335 124 HB3 LEU 19 2HB LEU 19 1.524 -1.477 3.536 125 HG LEU 19 HG LEU 19 -1.124 -1.165 2.096 126 HD11 LEU 19 1HD1 LEU 19 -0.837 0.686 3.637 127 HD12 LEU 19 2HD1 LEU 19 0.815 0.967 3.036 128 HD13 LEU 19 3HD1 LEU 19 -0.580 1.235 1.964 129 HD21 LEU 19 1HD2 LEU 19 0.061 -0.688 0.160 130 HD22 LEU 19 2HD2 LEU 19 1.569 -0.342 1.041 131 HD23 LEU 19 3HD2 LEU 19 0.999 -2.020 0.879 132 H GLN 20 H GLN 20 2.740 -4.165 3.673 133 HA GLN 20 HA GLN 20 1.771 -5.489 6.086 134 HB2 GLN 20 1HB GLN 20 2.605 -6.961 4.168 135 HB3 GLN 20 2HB GLN 20 4.200 -6.286 4.428 136 HG2 GLN 20 1HG GLN 20 4.087 -7.054 6.838 137 HG3 GLN 20 2HG GLN 20 2.546 -7.813 6.493 138 HE21 GLN 20 1HE2 GLN 20 3.055 -9.896 6.735 139 HE22 GLN 20 2HE2 GLN 20 4.207 -10.773 5.785 140 H SER 21 H SER 21 2.375 -4.377 7.891 141 HA SER 21 HA SER 21 4.659 -2.657 7.725 142 HB2 SER 21 1HB SER 21 3.809 -2.528 10.348 143 HB3 SER 21 2HB SER 21 3.224 -1.502 9.054 144 HG SER 21 HG SER 21 1.308 -2.453 9.155 145 HA PRO 22 HA PRO 22 7.355 -5.430 9.723 146 HB2 PRO 22 1HB PRO 22 9.233 -3.720 10.733 147 HB3 PRO 22 2HB PRO 22 9.206 -4.233 9.058 148 HG2 PRO 22 1HG PRO 22 8.407 -1.632 10.212 149 HG3 PRO 22 2HG PRO 22 8.791 -2.023 8.548 150 HD2 PRO 22 1HD PRO 22 6.176 -1.633 9.660 151 HD3 PRO 22 2HD PRO 22 6.555 -2.137 8.025 152 H THR 23 H THR 23 8.471 -6.048 11.815 153 HA THR 23 HA THR 23 6.664 -6.392 13.771 154 HB THR 23 HB THR 23 9.678 -5.889 13.981 155 HG1 THR 23 1HG THR 23 9.624 -7.939 13.143 156 HG21 THR 23 1HG2 THR 23 7.623 -6.703 15.998 157 HG22 THR 23 2HG2 THR 23 9.033 -7.783 15.875 158 HG23 THR 23 3HG2 THR 23 9.263 -6.059 16.253 159 H GLY 24 H GLY 24 6.134 -5.429 15.808 160 HA2 GLY 24 1HA GLY 24 5.400 -3.684 17.023 161 HA3 GLY 24 2HA GLY 24 6.989 -2.994 16.753 162 H GLY 25 H GLY 25 4.092 -3.638 14.639 163 HA2 GLY 25 1HA GLY 25 3.975 -0.759 14.050 164 HA3 GLY 25 2HA GLY 25 4.150 -1.897 12.730 165 HA PRO 26 HA PRO 26 -0.302 -1.488 13.675 166 HB2 PRO 26 1HB PRO 26 -1.135 -0.439 11.293 167 HB3 PRO 26 2HB PRO 26 -0.776 0.543 12.699 168 HG2 PRO 26 1HG PRO 26 0.827 0.164 10.245 169 HG3 PRO 26 2HG PRO 26 0.944 1.434 11.447 170 HD2 PRO 26 1HD PRO 26 2.697 -0.817 11.152 171 HD3 PRO 26 2HD PRO 26 2.744 0.389 12.423 172 HA PRO 27 HA PRO 27 -1.534 -4.995 11.621 173 HB2 PRO 27 1HB PRO 27 -4.217 -4.707 11.186 174 HB3 PRO 27 2HB PRO 27 -3.541 -5.160 12.738 175 HG2 PRO 27 1HG PRO 27 -4.659 -2.557 11.891 176 HG3 PRO 27 2HG PRO 27 -4.378 -3.156 13.514 177 HD2 PRO 27 1HD PRO 27 -2.780 -1.248 12.089 178 HD3 PRO 27 2HD PRO 27 -2.437 -1.933 13.665 179 HA PRO 28 HA PRO 28 -1.659 -4.737 7.384 180 HB2 PRO 28 1HB PRO 28 -3.095 -6.903 6.539 181 HB3 PRO 28 2HB PRO 28 -1.425 -7.005 7.060 182 HG2 PRO 28 1HG PRO 28 -3.868 -7.845 8.496 183 HG3 PRO 28 2HG PRO 28 -2.205 -8.311 8.793 184 HD2 PRO 28 1HD PRO 28 -3.756 -6.432 10.306 185 HD3 PRO 28 2HD PRO 28 -2.060 -6.812 10.530 186 H ILE 29 H ILE 29 -2.532 -2.879 6.656 187 HA ILE 29 HA ILE 29 -5.385 -2.623 6.786 188 HB ILE 29 HB ILE 29 -3.144 -0.887 5.777 189 HG12 ILE 29 1HG1 ILE 29 -4.793 0.332 7.757 190 HG13 ILE 29 2HG1 ILE 29 -4.418 -1.286 8.314 191 HG21 ILE 29 1HG2 ILE 29 -4.693 0.832 5.208 192 HG22 ILE 29 2HG2 ILE 29 -5.194 -0.643 4.347 193 HG23 ILE 29 3HG2 ILE 29 -6.072 -0.123 5.806 194 HD11 ILE 29 1HD1 ILE 29 -1.952 -0.679 7.513 195 HD12 ILE 29 2HD1 ILE 29 -2.539 0.992 7.691 196 HD13 ILE 29 3HD1 ILE 29 -2.553 -0.110 9.089 197 H PHE 30 H PHE 30 -6.858 -3.085 5.219 198 HA PHE 30 HA PHE 30 -5.766 -4.154 2.735 199 HB2 PHE 30 1HB PHE 30 -8.310 -4.355 4.393 200 HB3 PHE 30 2HB PHE 30 -8.434 -4.700 2.680 201 HD1 PHE 30 2HD PHE 30 -6.613 -5.703 5.757 202 HD2 PHE 30 1HD PHE 30 -7.837 -6.805 1.846 203 HE1 PHE 30 2HE PHE 30 -5.826 -8.051 6.172 204 HE2 PHE 30 1HE PHE 30 -7.051 -9.153 2.261 205 HZ PHE 30 HZ PHE 30 -6.055 -9.747 4.419 206 H LEU 31 H LEU 31 -5.677 -2.815 0.999 207 HA LEU 31 HA LEU 31 -7.053 -0.346 0.984 208 HB2 LEU 31 1HB LEU 31 -5.965 -1.486 -1.529 209 HB3 LEU 31 2HB LEU 31 -5.832 0.131 -0.868 210 HG LEU 31 HG LEU 31 -4.210 -2.316 -0.177 211 HD11 LEU 31 1HD1 LEU 31 -2.903 -1.387 -1.728 212 HD12 LEU 31 2HD1 LEU 31 -3.797 0.152 -1.693 213 HD13 LEU 31 3HD1 LEU 31 -2.519 -0.163 -0.494 214 HD21 LEU 31 1HD2 LEU 31 -4.804 0.043 1.530 215 HD22 LEU 31 2HD2 LEU 31 -4.382 -1.628 1.975 216 HD23 LEU 31 3HD2 LEU 31 -3.110 -0.497 1.453 217 HA PRO 32 HA PRO 32 -10.727 -1.409 -1.015 218 HB2 PRO 32 1HB PRO 32 -11.219 0.697 -2.685 219 HB3 PRO 32 2HB PRO 32 -11.520 0.752 -0.960 220 HG2 PRO 32 1HG PRO 32 -9.325 1.998 -2.499 221 HG3 PRO 32 2HG PRO 32 -9.884 2.376 -0.882 222 HD2 PRO 32 1HD PRO 32 -7.532 0.890 -1.581 223 HD3 PRO 32 2HD PRO 32 -8.154 1.169 0.033 224 H SER 33 H SER 33 -11.978 -1.697 -3.160 225 HA SER 33 HA SER 33 -9.965 -2.637 -5.053 226 HB2 SER 33 1HB SER 33 -11.673 -4.409 -5.685 227 HB3 SER 33 2HB SER 33 -10.982 -4.587 -4.085 228 HG SER 33 HG SER 33 -12.882 -3.716 -3.152 229 H ASP 34 H ASP 34 -13.201 -1.189 -4.484 230 HA ASP 34 HA ASP 34 -14.175 -1.023 -6.971 231 HB2 ASP 34 1HB ASP 34 -14.787 0.098 -4.534 232 HB3 ASP 34 2HB ASP 34 -14.287 1.529 -5.413 233 H GLY 35 H GLY 35 -11.437 0.726 -5.508 234 HA2 GLY 35 1HA GLY 35 -9.784 1.410 -7.247 235 HA3 GLY 35 2HA GLY 35 -11.100 2.291 -7.997 236 H GLN 36 H GLN 36 -11.777 2.431 -4.728 237 HA GLN 36 HA GLN 36 -11.395 5.095 -4.496 238 HB2 GLN 36 1HB GLN 36 -11.742 2.832 -2.566 239 HB3 GLN 36 2HB GLN 36 -11.195 4.351 -1.886 240 HG2 GLN 36 1HG GLN 36 -13.591 4.433 -1.800 241 HG3 GLN 36 2HG GLN 36 -13.132 5.492 -3.119 242 HE21 GLN 36 1HE2 GLN 36 -14.454 2.388 -2.219 243 HE22 GLN 36 2HE2 GLN 36 -15.177 1.974 -3.738 244 H ALA 37 H ALA 37 -9.912 6.120 -2.617 245 HA ALA 37 HA ALA 37 -7.196 5.067 -3.008 246 HB1 ALA 37 1HB ALA 37 -7.626 8.005 -2.652 247 HB2 ALA 37 2HB ALA 37 -6.411 7.136 -3.621 248 HB3 ALA 37 3HB ALA 37 -8.077 7.304 -4.225 249 H LEU 38 H LEU 38 -6.317 4.439 -1.107 250 HA LEU 38 HA LEU 38 -7.539 5.433 1.334 251 HB2 LEU 38 1HB LEU 38 -6.893 2.957 0.625 252 HB3 LEU 38 2HB LEU 38 -5.343 3.418 1.301 253 HG LEU 38 HG LEU 38 -6.396 3.937 3.449 254 HD11 LEU 38 1HD1 LEU 38 -8.545 4.713 2.942 255 HD12 LEU 38 2HD1 LEU 38 -8.945 3.268 1.983 256 HD13 LEU 38 3HD1 LEU 38 -8.819 3.153 3.754 257 HD21 LEU 38 1HD2 LEU 38 -5.691 1.806 3.665 258 HD22 LEU 38 2HD2 LEU 38 -7.436 1.459 3.721 259 HD23 LEU 38 3HD2 LEU 38 -6.537 1.257 2.198 260 H VAL 39 H VAL 39 -6.785 7.336 2.099 261 HA VAL 39 HA VAL 39 -4.112 8.168 1.452 262 HB VAL 39 HB VAL 39 -6.562 9.322 2.654 263 HG11 VAL 39 1HG1 VAL 39 -5.312 10.031 4.456 264 HG12 VAL 39 2HG1 VAL 39 -3.794 10.080 3.528 265 HG13 VAL 39 3HG1 VAL 39 -5.013 11.358 3.309 266 HG21 VAL 39 1HG2 VAL 39 -6.478 10.630 0.837 267 HG22 VAL 39 2HG2 VAL 39 -4.776 11.064 1.128 268 HG23 VAL 39 3HG2 VAL 39 -5.176 9.563 0.259 269 H LEU 40 H LEU 40 -2.313 8.088 2.750 270 HA LEU 40 HA LEU 40 -2.749 6.971 5.433 271 HB2 LEU 40 1HB LEU 40 -0.707 6.376 3.325 272 HB3 LEU 40 2HB LEU 40 -0.292 6.177 5.016 273 HG LEU 40 HG LEU 40 -2.410 4.716 3.434 274 HD11 LEU 40 1HD1 LEU 40 0.137 3.916 4.839 275 HD12 LEU 40 2HD1 LEU 40 -1.124 2.734 4.412 276 HD13 LEU 40 3HD1 LEU 40 -0.326 3.684 3.136 277 HD21 LEU 40 1HD2 LEU 40 -3.609 5.032 5.380 278 HD22 LEU 40 2HD2 LEU 40 -2.754 3.509 5.722 279 HD23 LEU 40 3HD2 LEU 40 -2.155 5.038 6.407 280 H GLY 41 H GLY 41 -1.168 7.666 7.089 281 HA2 GLY 41 1HA GLY 41 0.765 9.556 6.881 282 HA3 GLY 41 2HA GLY 41 -0.709 10.504 6.882 283 H ARG 42 H ARG 42 0.104 11.390 8.969 284 HA ARG 42 HA ARG 42 0.646 9.882 11.155 285 HB2 ARG 42 1HB ARG 42 0.034 12.652 10.566 286 HB3 ARG 42 2HB ARG 42 -0.833 12.207 12.022 287 HG2 ARG 42 1HG ARG 42 1.390 11.197 12.876 288 HG3 ARG 42 2HG ARG 42 2.166 11.993 11.522 289 HD2 ARG 42 1HD ARG 42 2.313 13.436 13.509 290 HD3 ARG 42 2HD ARG 42 1.288 14.201 12.311 291 HE ARG 42 HE ARG 42 -0.412 12.639 13.956 292 HH11 ARG 42 2HH2 ARG 42 1.701 15.434 14.278 293 HH12 ARG 42 1HH2 ARG 42 0.794 16.130 15.579 294 HH21 ARG 42 2HH1 ARG 42 -1.610 13.557 15.672 295 HH22 ARG 42 1HH1 ARG 42 -1.102 15.056 16.377 296 H GLY 43 H GLY 43 -0.616 9.078 12.949 297 HA2 GLY 43 1HA GLY 43 -2.894 9.175 13.963 298 HA3 GLY 43 2HA GLY 43 -3.505 8.835 12.356 299 HA PRO 44 HA PRO 44 -2.755 4.843 14.429 300 HB2 PRO 44 1HB PRO 44 -5.309 3.873 14.361 301 HB3 PRO 44 2HB PRO 44 -4.634 4.697 15.752 302 HG2 PRO 44 1HG PRO 44 -6.575 5.705 13.763 303 HG3 PRO 44 2HG PRO 44 -6.216 6.329 15.360 304 HD2 PRO 44 1HD PRO 44 -5.342 7.420 12.856 305 HD3 PRO 44 2HD PRO 44 -4.890 7.975 14.455 306 H LEU 45 H LEU 45 -3.596 6.007 11.484 307 HA LEU 45 HA LEU 45 -4.277 3.687 10.110 308 HB2 LEU 45 1HB LEU 45 -3.213 6.375 9.435 309 HB3 LEU 45 2HB LEU 45 -3.028 5.124 8.222 310 HG LEU 45 HG LEU 45 -5.051 6.481 7.889 311 HD11 LEU 45 1HD1 LEU 45 -4.842 3.986 7.289 312 HD12 LEU 45 2HD1 LEU 45 -5.957 3.710 8.648 313 HD13 LEU 45 3HD1 LEU 45 -6.460 4.727 7.277 314 HD21 LEU 45 1HD2 LEU 45 -6.791 5.428 9.876 315 HD22 LEU 45 2HD2 LEU 45 -5.368 6.107 10.702 316 HD23 LEU 45 3HD2 LEU 45 -6.319 7.121 9.590 317 H THR 46 H THR 46 -1.026 5.306 10.341 318 HA THR 46 HA THR 46 0.144 2.632 9.925 319 HB THR 46 HB THR 46 1.980 3.831 8.768 320 HG1 THR 46 1HG THR 46 0.274 6.169 9.191 321 HG21 THR 46 1HG2 THR 46 0.273 5.347 7.194 322 HG22 THR 46 2HG2 THR 46 0.554 3.605 6.966 323 HG23 THR 46 3HG2 THR 46 -0.854 4.164 7.901 324 H GLN 47 H GLN 47 -0.670 4.586 12.354 325 HA GLN 47 HA GLN 47 0.038 4.850 14.389 326 HB2 GLN 47 1HB GLN 47 2.008 2.682 13.579 327 HB3 GLN 47 2HB GLN 47 2.007 3.362 15.195 328 HG2 GLN 47 1HG GLN 47 -0.721 2.690 14.393 329 HG3 GLN 47 2HG GLN 47 0.322 1.297 14.189 330 HE21 GLN 47 1HE2 GLN 47 -1.816 2.220 16.173 331 HE22 GLN 47 2HE2 GLN 47 -1.143 1.900 17.736 332 H VAL 48 H VAL 48 1.235 6.326 11.966 333 HA VAL 48 HA VAL 48 3.869 7.036 12.894 334 HB VAL 48 HB VAL 48 2.105 7.760 10.576 335 HG11 VAL 48 1HG1 VAL 48 4.385 9.106 9.979 336 HG12 VAL 48 2HG1 VAL 48 2.938 9.863 10.685 337 HG13 VAL 48 3HG1 VAL 48 4.295 9.388 11.734 338 HG21 VAL 48 1HG2 VAL 48 4.756 7.128 9.809 339 HG22 VAL 48 2HG2 VAL 48 4.296 5.956 11.068 340 HG23 VAL 48 3HG2 VAL 48 3.290 6.137 9.610 341 H THR 49 H THR 49 4.428 8.825 14.088 342 HA THR 49 HA THR 49 2.200 10.613 14.817 343 HB THR 49 HB THR 49 3.339 10.764 17.040 344 HG1 THR 49 1HG THR 49 5.503 10.311 16.464 345 HG21 THR 49 1HG2 THR 49 3.223 8.276 17.699 346 HG22 THR 49 2HG2 THR 49 1.734 8.936 16.981 347 HG23 THR 49 3HG2 THR 49 2.829 7.934 15.998 348 H ASP 50 H ASP 50 5.190 10.302 13.197 349 HA ASP 50 HA ASP 50 6.501 12.584 13.831 350 HB2 ASP 50 1HB ASP 50 7.099 10.711 12.144 351 HB3 ASP 50 2HB ASP 50 6.130 11.584 10.975 352 H ARG 51 H ARG 51 6.070 14.790 13.507 353 HA ARG 51 HA ARG 51 3.573 15.591 12.708 354 HB2 ARG 51 1HB ARG 51 6.213 17.122 12.875 355 HB3 ARG 51 2HB ARG 51 4.678 17.916 12.585 356 HG2 ARG 51 1HG ARG 51 3.813 17.301 14.731 357 HG3 ARG 51 2HG ARG 51 5.025 16.057 14.963 358 HD2 ARG 51 1HD ARG 51 6.791 17.938 14.947 359 HD3 ARG 51 2HD ARG 51 5.461 19.077 15.012 360 HE ARG 51 HE ARG 51 4.847 17.419 17.099 361 HH11 ARG 51 2HH2 ARG 51 7.842 19.027 16.189 362 HH12 ARG 51 1HH2 ARG 51 8.417 19.157 17.818 363 HH21 ARG 51 2HH1 ARG 51 5.605 17.590 19.248 364 HH22 ARG 51 1HH1 ARG 51 7.136 18.334 19.570 365 H LYS 52 H LYS 52 6.742 15.601 10.946 366 HA LYS 52 HA LYS 52 6.039 16.912 8.675 367 HB2 LYS 52 1HB LYS 52 7.840 14.493 8.990 368 HB3 LYS 52 2HB LYS 52 7.780 15.505 7.560 369 HG2 LYS 52 1HG LYS 52 9.277 16.893 8.544 370 HG3 LYS 52 2HG LYS 52 8.044 17.330 9.711 371 HD2 LYS 52 1HD LYS 52 8.736 15.484 11.201 372 HD3 LYS 52 2HD LYS 52 9.888 14.912 10.010 373 HE2 LYS 52 1HE LYS 52 10.867 17.380 10.176 374 HE3 LYS 52 2HE LYS 52 10.008 17.423 11.703 375 HZ1 LYS 52 1HZ LYS 52 11.206 15.510 12.414 376 HZ2 LYS 52 2HZ LYS 52 11.920 15.320 10.958 377 HZ3 LYS 52 3HZ LYS 52 12.288 16.613 11.885 378 H CYS 53 H CYS 53 4.947 13.757 9.820 379 HA CYS 53 HA CYS 53 3.982 12.951 7.256 380 HB2 CYS 53 1HB CYS 53 4.384 11.725 9.817 381 HB3 CYS 53 2HB CYS 53 2.711 11.485 9.355 382 HG CYS 53 HG CYS 53 3.066 10.400 7.100 383 H SER 54 H SER 54 2.209 13.926 6.340 384 HA SER 54 HA SER 54 0.360 15.250 8.115 385 HB2 SER 54 1HB SER 54 1.429 16.028 5.732 386 HB3 SER 54 2HB SER 54 -0.050 15.290 5.149 387 HG SER 54 HG SER 54 -0.913 17.196 5.635 388 H ARG 55 H ARG 55 -1.847 14.669 8.316 389 HA ARG 55 HA ARG 55 -2.570 12.151 8.307 390 HB2 ARG 55 1HB ARG 55 -4.358 14.493 7.481 391 HB3 ARG 55 2HB ARG 55 -4.964 12.941 8.024 392 HG2 ARG 55 1HG ARG 55 -4.458 13.358 10.231 393 HG3 ARG 55 2HG ARG 55 -2.951 14.164 9.845 394 HD2 ARG 55 1HD ARG 55 -3.977 16.257 9.543 395 HD3 ARG 55 2HD ARG 55 -5.522 15.560 9.097 396 HE ARG 55 HE ARG 55 -4.636 16.199 11.784 397 HH11 ARG 55 2HH2 ARG 55 -6.637 13.957 9.954 398 HH12 ARG 55 1HH2 ARG 55 -7.681 13.599 11.289 399 HH21 ARG 55 2HH1 ARG 55 -6.012 15.726 13.546 400 HH22 ARG 55 1HH1 ARG 55 -7.323 14.612 13.346 401 H ASN 56 H ASN 56 -2.434 14.282 5.443 402 HA ASN 56 HA ASN 56 -3.182 11.964 3.840 403 HB2 ASN 56 1HB ASN 56 -3.582 14.898 3.065 404 HB3 ASN 56 2HB ASN 56 -4.163 13.500 2.182 405 HD21 ASN 56 1HD2 ASN 56 -6.222 13.137 2.402 406 HD22 ASN 56 2HD2 ASN 56 -7.204 13.422 3.801 407 H GLN 57 H GLN 57 -0.594 11.936 4.385 408 HA GLN 57 HA GLN 57 0.999 13.782 3.034 409 HB2 GLN 57 1HB GLN 57 2.019 12.572 4.807 410 HB3 GLN 57 2HB GLN 57 1.469 11.023 4.198 411 HG2 GLN 57 1HG GLN 57 3.835 11.199 3.696 412 HG3 GLN 57 2HG GLN 57 2.966 11.334 2.179 413 HE21 GLN 57 1HE2 GLN 57 4.876 12.340 1.372 414 HE22 GLN 57 2HE2 GLN 57 5.182 14.025 1.631 415 H VAL 58 H VAL 58 -0.153 10.450 2.195 416 HA VAL 58 HA VAL 58 0.302 11.133 -0.608 417 HB VAL 58 HB VAL 58 1.150 8.758 -0.902 418 HG11 VAL 58 1HG1 VAL 58 3.424 9.709 0.434 419 HG12 VAL 58 2HG1 VAL 58 2.991 9.967 -1.273 420 HG13 VAL 58 3HG1 VAL 58 2.525 11.169 -0.044 421 HG21 VAL 58 1HG2 VAL 58 1.318 7.397 0.855 422 HG22 VAL 58 2HG2 VAL 58 2.414 8.544 1.662 423 HG23 VAL 58 3HG2 VAL 58 0.655 8.675 1.901 424 H GLU 59 H GLU 59 -0.797 9.328 -2.027 425 HA GLU 59 HA GLU 59 -3.187 8.437 -0.618 426 HB2 GLU 59 1HB GLU 59 -4.016 10.299 -1.812 427 HB3 GLU 59 2HB GLU 59 -2.971 10.014 -3.190 428 HG2 GLU 59 1HG GLU 59 -4.263 8.027 -3.837 429 HG3 GLU 59 2HG GLU 59 -5.223 8.119 -2.373 430 H LEU 60 H LEU 60 -3.049 6.231 -0.603 431 HA LEU 60 HA LEU 60 -1.779 4.927 -2.872 432 HB2 LEU 60 1HB LEU 60 -2.473 4.130 -0.067 433 HB3 LEU 60 2HB LEU 60 -2.193 2.900 -1.283 434 HG LEU 60 HG LEU 60 0.016 4.443 -1.651 435 HD11 LEU 60 1HD1 LEU 60 0.551 4.508 1.088 436 HD12 LEU 60 2HD1 LEU 60 0.297 5.898 0.004 437 HD13 LEU 60 3HD1 LEU 60 -1.071 5.224 0.922 438 HD21 LEU 60 1HD2 LEU 60 -0.528 2.032 0.052 439 HD22 LEU 60 2HD2 LEU 60 0.343 2.165 -1.495 440 HD23 LEU 60 3HD2 LEU 60 1.103 2.745 0.007 441 H ILE 61 H ILE 61 -2.836 3.513 -4.271 442 HA ILE 61 HA ILE 61 -5.703 3.166 -3.807 443 HB ILE 61 HB ILE 61 -4.394 4.267 -6.288 444 HG12 ILE 61 1HG1 ILE 61 -6.808 5.413 -4.927 445 HG13 ILE 61 2HG1 ILE 61 -5.228 5.685 -4.219 446 HG21 ILE 61 1HG2 ILE 61 -7.235 4.028 -6.563 447 HG22 ILE 61 2HG2 ILE 61 -5.942 3.350 -7.581 448 HG23 ILE 61 3HG2 ILE 61 -6.548 2.430 -6.183 449 HD11 ILE 61 1HD1 ILE 61 -6.287 6.584 -6.901 450 HD12 ILE 61 2HD1 ILE 61 -5.401 7.515 -5.669 451 HD13 ILE 61 3HD1 ILE 61 -4.535 6.346 -6.695 452 H ALA 62 H ALA 62 -6.304 1.070 -3.998 453 HA ALA 62 HA ALA 62 -4.317 -0.841 -4.743 454 HB1 ALA 62 1HB ALA 62 -6.963 -1.958 -4.500 455 HB2 ALA 62 2HB ALA 62 -5.584 -2.101 -3.384 456 HB3 ALA 62 3HB ALA 62 -6.725 -0.744 -3.220 457 H ASP 63 H ASP 63 -3.947 -1.699 -6.731 458 HA ASP 63 HA ASP 63 -6.070 -1.296 -8.690 459 HB2 ASP 63 1HB ASP 63 -3.282 -0.475 -8.717 460 HB3 ASP 63 2HB ASP 63 -3.540 -1.636 -10.004 461 HA PRO 64 HA PRO 64 -5.193 -5.732 -8.402 462 HB2 PRO 64 1HB PRO 64 -7.774 -6.600 -8.632 463 HB3 PRO 64 2HB PRO 64 -7.004 -6.280 -7.090 464 HG2 PRO 64 1HG PRO 64 -9.016 -4.660 -8.529 465 HG3 PRO 64 2HG PRO 64 -8.557 -4.594 -6.839 466 HD2 PRO 64 1HD PRO 64 -7.783 -2.756 -8.901 467 HD3 PRO 64 2HD PRO 64 -7.233 -2.757 -7.237 468 H GLU 65 H GLU 65 -6.153 -3.664 -10.756 469 HA GLU 65 HA GLU 65 -6.924 -5.478 -12.720 470 HB2 GLU 65 1HB GLU 65 -6.038 -2.625 -12.612 471 HB3 GLU 65 2HB GLU 65 -5.876 -3.413 -14.169 472 HG2 GLU 65 1HG GLU 65 -8.082 -2.977 -14.493 473 HG3 GLU 65 2HG GLU 65 -8.415 -4.236 -13.320 474 H SER 66 H SER 66 -3.727 -3.939 -11.954 475 HA SER 66 HA SER 66 -2.521 -6.158 -13.406 476 HB2 SER 66 1HB SER 66 -2.150 -3.229 -13.786 477 HB3 SER 66 2HB SER 66 -0.657 -4.144 -13.696 478 HG SER 66 HG SER 66 -1.944 -3.846 -15.868 479 H ARG 67 H ARG 67 -3.105 -6.033 -10.586 480 HA ARG 67 HA ARG 67 -2.217 -6.029 -8.592 481 HB2 ARG 67 1HB ARG 67 -0.149 -7.419 -10.323 482 HB3 ARG 67 2HB ARG 67 0.160 -7.241 -8.607 483 HG2 ARG 67 1HG ARG 67 -1.166 -9.030 -8.196 484 HG3 ARG 67 2HG ARG 67 -2.541 -8.143 -8.823 485 HD2 ARG 67 1HD ARG 67 -1.128 -8.962 -11.135 486 HD3 ARG 67 2HD ARG 67 -1.036 -10.342 -10.060 487 HE ARG 67 HE ARG 67 -3.460 -9.256 -11.310 488 HH11 ARG 67 2HH2 ARG 67 -2.190 -11.252 -8.705 489 HH12 ARG 67 1HH2 ARG 67 -3.664 -12.136 -8.492 490 HH21 ARG 67 2HH1 ARG 67 -5.405 -10.422 -11.029 491 HH22 ARG 67 1HH1 ARG 67 -5.505 -11.661 -9.823 492 H THR 68 H THR 68 -2.021 -3.463 -9.284 493 HA THR 68 HA THR 68 0.682 -2.703 -8.429 494 HB THR 68 HB THR 68 0.265 -0.705 -10.111 495 HG1 THR 68 1HG THR 68 -1.160 -1.515 -11.854 496 HG21 THR 68 1HG2 THR 68 2.025 -2.049 -10.887 497 HG22 THR 68 2HG2 THR 68 1.068 -3.545 -10.759 498 HG23 THR 68 3HG2 THR 68 0.796 -2.427 -12.117 499 H VAL 69 H VAL 69 0.579 -0.155 -7.936 500 HA VAL 69 HA VAL 69 -1.958 0.546 -6.742 501 HB VAL 69 HB VAL 69 0.547 0.106 -5.106 502 HG11 VAL 69 1HG1 VAL 69 -0.260 1.414 -3.469 503 HG12 VAL 69 2HG1 VAL 69 -1.314 2.109 -4.724 504 HG13 VAL 69 3HG1 VAL 69 -1.920 0.804 -3.675 505 HG21 VAL 69 1HG2 VAL 69 -0.875 -1.486 -3.841 506 HG22 VAL 69 2HG2 VAL 69 -2.180 -1.229 -5.024 507 HG23 VAL 69 3HG2 VAL 69 -0.645 -1.969 -5.539 508 H ALA 70 H ALA 70 -2.295 2.687 -7.077 509 HA ALA 70 HA ALA 70 -0.076 4.229 -8.107 510 HB1 ALA 70 1HB ALA 70 -2.918 4.129 -8.444 511 HB2 ALA 70 2HB ALA 70 -2.497 5.746 -7.830 512 HB3 ALA 70 3HB ALA 70 -1.736 5.132 -9.318 513 H VAL 71 H VAL 71 0.735 6.157 -7.161 514 HA VAL 71 HA VAL 71 -0.173 6.648 -4.416 515 HB VAL 71 HB VAL 71 2.678 6.407 -5.395 516 HG11 VAL 71 1HG1 VAL 71 1.494 7.706 -3.008 517 HG12 VAL 71 2HG1 VAL 71 2.874 6.627 -2.693 518 HG13 VAL 71 3HG1 VAL 71 3.052 7.992 -3.822 519 HG21 VAL 71 1HG2 VAL 71 0.876 4.654 -3.754 520 HG22 VAL 71 2HG2 VAL 71 2.041 4.218 -5.027 521 HG23 VAL 71 3HG2 VAL 71 2.621 4.677 -3.408 522 H LYS 72 H LYS 72 -0.301 8.818 -3.836 523 HA LYS 72 HA LYS 72 0.775 10.751 -5.734 524 HB2 LYS 72 1HB LYS 72 -1.466 10.395 -6.551 525 HB3 LYS 72 2HB LYS 72 -2.142 10.554 -4.942 526 HG2 LYS 72 1HG LYS 72 -2.047 12.846 -4.985 527 HG3 LYS 72 2HG LYS 72 -0.463 12.866 -5.734 528 HD2 LYS 72 1HD LYS 72 -1.516 13.521 -7.640 529 HD3 LYS 72 2HD LYS 72 -2.073 11.865 -7.782 530 HE2 LYS 72 1HE LYS 72 -3.883 12.973 -5.952 531 HE3 LYS 72 2HE LYS 72 -3.591 14.299 -7.059 532 HZ1 LYS 72 1HZ LYS 72 -4.073 11.663 -8.176 533 HZ2 LYS 72 2HZ LYS 72 -5.347 12.496 -7.585 534 HZ3 LYS 72 3HZ LYS 72 -4.444 13.131 -8.788 535 H GLN 73 H GLN 73 1.951 12.209 -4.621 536 HA GLN 73 HA GLN 73 1.725 12.235 -1.790 537 HB2 GLN 73 1HB GLN 73 3.940 12.424 -2.636 538 HB3 GLN 73 2HB GLN 73 3.491 13.644 -3.811 539 HG2 GLN 73 1HG GLN 73 3.157 15.316 -2.064 540 HG3 GLN 73 2HG GLN 73 3.319 14.112 -0.801 541 HE21 GLN 73 1HE2 GLN 73 4.822 16.556 -1.272 542 HE22 GLN 73 2HE2 GLN 73 6.493 16.125 -1.413 543 H LEU 74 H LEU 74 0.205 13.406 -0.707 544 HA LEU 74 HA LEU 74 -0.740 15.863 -2.002 545 HB2 LEU 74 1HB LEU 74 -2.255 14.628 0.226 546 HB3 LEU 74 2HB LEU 74 -2.823 15.481 -1.195 547 HG LEU 74 HG LEU 74 -1.553 12.864 -1.740 548 HD11 LEU 74 1HD1 LEU 74 -2.931 11.474 -0.635 549 HD12 LEU 74 2HD1 LEU 74 -3.119 12.850 0.478 550 HD13 LEU 74 3HD1 LEU 74 -4.333 12.561 -0.792 551 HD21 LEU 74 1HD2 LEU 74 -4.184 14.077 -2.629 552 HD22 LEU 74 2HD2 LEU 74 -2.627 14.263 -3.471 553 HD23 LEU 74 3HD2 LEU 74 -3.371 12.654 -3.322 554 H GLY 75 H GLY 75 1.562 14.895 0.110 555 HA2 GLY 75 1HA GLY 75 0.981 16.876 2.189 556 HA3 GLY 75 2HA GLY 75 2.237 15.654 2.206 557 H VAL 76 H VAL 76 3.963 17.100 2.651 558 HA VAL 76 HA VAL 76 4.554 18.941 0.436 559 HB VAL 76 HB VAL 76 4.014 20.287 2.280 560 HG11 VAL 76 1HG1 VAL 76 5.778 18.524 4.014 561 HG12 VAL 76 2HG1 VAL 76 4.893 19.973 4.547 562 HG13 VAL 76 3HG1 VAL 76 3.998 18.533 4.006 563 HG21 VAL 76 1HG2 VAL 76 7.012 20.068 2.584 564 HG22 VAL 76 2HG2 VAL 76 6.265 20.685 1.091 565 HG23 VAL 76 3HG2 VAL 76 5.982 21.519 2.638 566 H ASN 77 H ASN 77 5.890 16.832 3.059 567 HA ASN 77 HA ASN 77 8.497 16.935 2.170 568 HB2 ASN 77 1HB ASN 77 6.883 14.924 3.783 569 HB3 ASN 77 2HB ASN 77 8.543 14.554 3.359 570 HD21 ASN 77 1HD2 ASN 77 6.403 16.498 5.246 571 HD22 ASN 77 2HD2 ASN 77 7.576 17.299 6.238 572 HA PRO 78 HA PRO 78 8.200 14.298 -1.334 573 HB2 PRO 78 1HB PRO 78 10.850 13.804 -1.781 574 HB3 PRO 78 2HB PRO 78 10.044 15.265 -2.315 575 HG2 PRO 78 1HG PRO 78 11.911 14.899 -0.052 576 HG3 PRO 78 2HG PRO 78 11.437 16.383 -0.855 577 HD2 PRO 78 1HD PRO 78 10.514 15.440 1.691 578 HD3 PRO 78 2HD PRO 78 9.955 16.863 0.835 579 H SER 79 H SER 79 7.459 12.286 -1.530 580 HA SER 79 HA SER 79 8.472 10.465 0.464 581 HB2 SER 79 1HB SER 79 6.079 10.486 -1.391 582 HB3 SER 79 2HB SER 79 6.584 8.985 -0.642 583 HG SER 79 HG SER 79 5.675 9.619 1.182 584 H THR 80 H THR 80 9.010 8.166 -0.221 585 HA THR 80 HA THR 80 10.223 8.167 -2.907 586 HB THR 80 HB THR 80 11.196 6.888 -0.297 587 HG1 THR 80 1HG THR 80 12.760 8.624 -0.536 588 HG21 THR 80 1HG2 THR 80 11.909 5.617 -2.352 589 HG22 THR 80 2HG2 THR 80 12.523 7.135 -3.049 590 HG23 THR 80 3HG2 THR 80 13.277 6.459 -1.585 591 H VAL 81 H VAL 81 9.427 6.739 -4.308 592 HA VAL 81 HA VAL 81 7.805 4.575 -3.181 593 HB VAL 81 HB VAL 81 7.834 6.010 -5.831 594 HG11 VAL 81 1HG1 VAL 81 7.424 3.938 -6.701 595 HG12 VAL 81 2HG1 VAL 81 6.798 3.290 -5.165 596 HG13 VAL 81 3HG1 VAL 81 5.772 4.340 -6.173 597 HG21 VAL 81 1HG2 VAL 81 5.587 5.546 -3.843 598 HG22 VAL 81 2HG2 VAL 81 6.597 7.011 -3.901 599 HG23 VAL 81 3HG2 VAL 81 5.556 6.591 -5.283 600 H GLY 82 H GLY 82 9.492 3.118 -2.639 601 HA2 GLY 82 1HA GLY 82 10.617 1.211 -3.214 602 HA3 GLY 82 2HA GLY 82 10.506 1.634 -4.911 603 H VAL 83 H VAL 83 12.108 2.980 -5.898 604 HA VAL 83 HA VAL 83 14.350 3.695 -4.149 605 HB VAL 83 HB VAL 83 14.750 1.528 -5.302 606 HG11 VAL 83 1HG1 VAL 83 13.781 3.019 -7.581 607 HG12 VAL 83 2HG1 VAL 83 15.412 2.384 -7.907 608 HG13 VAL 83 3HG1 VAL 83 14.105 1.276 -7.423 609 HG21 VAL 83 1HG2 VAL 83 16.760 3.161 -6.647 610 HG22 VAL 83 2HG2 VAL 83 16.450 3.710 -4.983 611 HG23 VAL 83 3HG2 VAL 83 16.932 2.024 -5.289 612 H GLN 84 H GLN 84 11.939 5.071 -5.507 613 HA GLN 84 HA GLN 84 13.577 7.021 -6.928 614 HB2 GLN 84 1HB GLN 84 12.232 5.949 -8.611 615 HB3 GLN 84 2HB GLN 84 10.797 5.994 -7.607 616 HG2 GLN 84 1HG GLN 84 10.450 8.297 -7.952 617 HG3 GLN 84 2HG GLN 84 12.140 8.611 -8.293 618 HE21 GLN 84 1HE2 GLN 84 9.755 9.334 -9.790 619 HE22 GLN 84 2HE2 GLN 84 9.918 8.677 -11.385 620 H GLU 85 H GLU 85 13.032 9.261 -6.580 621 HA GLU 85 HA GLU 85 11.582 9.608 -4.102 622 HB2 GLU 85 1HB GLU 85 13.960 10.711 -5.139 623 HB3 GLU 85 2HB GLU 85 12.805 12.026 -5.229 624 HG2 GLU 85 1HG GLU 85 13.034 12.366 -3.002 625 HG3 GLU 85 2HG GLU 85 12.370 10.773 -2.698 626 H LEU 86 H LEU 86 9.730 10.923 -3.898 627 HA LEU 86 HA LEU 86 8.523 11.654 -6.463 628 HB2 LEU 86 1HB LEU 86 7.413 10.863 -3.788 629 HB3 LEU 86 2HB LEU 86 6.436 11.762 -4.931 630 HG LEU 86 HG LEU 86 7.531 8.968 -5.168 631 HD11 LEU 86 1HD1 LEU 86 5.063 8.692 -5.974 632 HD12 LEU 86 2HD1 LEU 86 5.422 8.866 -4.239 633 HD13 LEU 86 3HD1 LEU 86 4.822 10.261 -5.167 634 HD21 LEU 86 1HD2 LEU 86 6.552 9.066 -7.556 635 HD22 LEU 86 2HD2 LEU 86 6.776 10.826 -7.414 636 HD23 LEU 86 3HD2 LEU 86 8.176 9.735 -7.268 637 H LYS 87 H LYS 87 6.672 13.539 -5.706 638 HA LYS 87 HA LYS 87 8.119 15.581 -4.229 639 HB2 LYS 87 1HB LYS 87 7.833 15.541 -7.148 640 HB3 LYS 87 2HB LYS 87 7.199 17.004 -6.422 641 HG2 LYS 87 1HG LYS 87 9.292 17.555 -5.404 642 HG3 LYS 87 2HG LYS 87 9.914 15.927 -5.585 643 HD2 LYS 87 1HD LYS 87 11.013 16.979 -7.351 644 HD3 LYS 87 2HD LYS 87 9.587 16.394 -8.185 645 HE2 LYS 87 1HE LYS 87 8.594 18.529 -8.287 646 HE3 LYS 87 2HE LYS 87 9.468 19.122 -6.889 647 HZ1 LYS 87 1HZ LYS 87 10.974 19.918 -8.257 648 HZ2 LYS 87 2HZ LYS 87 11.325 18.426 -8.821 649 HZ3 LYS 87 3HZ LYS 87 10.182 19.329 -9.559 650 HA PRO 88 HA PRO 88 4.126 16.739 -3.059 651 HB2 PRO 88 1HB PRO 88 4.156 19.469 -2.951 652 HB3 PRO 88 2HB PRO 88 4.862 18.453 -1.710 653 HG2 PRO 88 1HG PRO 88 6.221 20.029 -3.810 654 HG3 PRO 88 2HG PRO 88 6.887 19.365 -2.331 655 HD2 PRO 88 1HD PRO 88 7.223 18.325 -4.983 656 HD3 PRO 88 2HD PRO 88 7.792 17.599 -3.492 657 H GLY 89 H GLY 89 2.757 15.880 -4.587 658 HA2 GLY 89 1HA GLY 89 0.817 16.752 -5.768 659 HA3 GLY 89 2HA GLY 89 1.877 17.901 -6.561 660 H LEU 90 H LEU 90 3.721 15.124 -6.230 661 HA LEU 90 HA LEU 90 3.272 14.447 -9.002 662 HB2 LEU 90 1HB LEU 90 5.508 14.721 -7.559 663 HB3 LEU 90 2HB LEU 90 5.244 13.007 -7.310 664 HG LEU 90 HG LEU 90 5.451 12.514 -9.613 665 HD11 LEU 90 1HD1 LEU 90 4.888 15.422 -10.002 666 HD12 LEU 90 2HD1 LEU 90 5.883 14.577 -11.212 667 HD13 LEU 90 3HD1 LEU 90 4.238 14.000 -10.853 668 HD21 LEU 90 1HD2 LEU 90 7.498 13.887 -8.211 669 HD22 LEU 90 2HD2 LEU 90 7.658 12.672 -9.501 670 HD23 LEU 90 3HD2 LEU 90 7.580 14.402 -9.913 671 H SER 91 H SER 91 3.679 11.812 -9.284 672 HA SER 91 HA SER 91 2.188 10.341 -7.367 673 HB2 SER 91 1HB SER 91 0.910 10.063 -10.032 674 HB3 SER 91 2HB SER 91 0.181 10.067 -8.438 675 HG SER 91 HG SER 91 0.383 12.394 -8.392 676 H GLY 92 H GLY 92 2.525 8.061 -7.632 677 HA2 GLY 92 1HA GLY 92 3.998 7.211 -10.027 678 HA3 GLY 92 2HA GLY 92 4.748 7.002 -8.457 679 H SER 93 H SER 93 4.639 4.642 -9.215 680 HA SER 93 HA SER 93 2.094 3.569 -8.297 681 HB2 SER 93 1HB SER 93 3.339 3.244 -10.919 682 HB3 SER 93 2HB SER 93 3.175 1.688 -10.128 683 HG SER 93 HG SER 93 0.855 2.638 -9.640 684 H LEU 94 H LEU 94 2.285 1.378 -7.315 685 HA LEU 94 HA LEU 94 5.047 0.772 -6.522 686 HB2 LEU 94 1HB LEU 94 2.848 1.610 -4.891 687 HB3 LEU 94 2HB LEU 94 3.249 -0.048 -4.487 688 HG LEU 94 HG LEU 94 5.737 1.132 -4.570 689 HD11 LEU 94 1HD1 LEU 94 4.635 3.356 -4.848 690 HD12 LEU 94 2HD1 LEU 94 3.895 3.136 -3.244 691 HD13 LEU 94 3HD1 LEU 94 5.666 3.222 -3.403 692 HD21 LEU 94 1HD2 LEU 94 5.716 0.926 -2.154 693 HD22 LEU 94 2HD2 LEU 94 3.937 0.868 -2.146 694 HD23 LEU 94 3HD2 LEU 94 4.867 -0.453 -2.894 695 H SER 95 H SER 95 5.681 -1.304 -6.875 696 HA SER 95 HA SER 95 3.629 -3.055 -7.919 697 HB2 SER 95 1HB SER 95 6.579 -3.721 -7.879 698 HB3 SER 95 2HB SER 95 5.356 -4.224 -9.030 699 HG SER 95 HG SER 95 5.700 -1.441 -8.903 700 H LEU 96 H LEU 96 3.382 -5.264 -7.125 701 HA LEU 96 HA LEU 96 3.247 -5.567 -4.447 702 HB2 LEU 96 1HB LEU 96 3.282 -7.346 -6.785 703 HB3 LEU 96 2HB LEU 96 3.731 -8.128 -5.282 704 HG LEU 96 HG LEU 96 1.185 -6.530 -5.661 705 HD11 LEU 96 1HD1 LEU 96 1.149 -9.505 -5.453 706 HD12 LEU 96 2HD1 LEU 96 0.029 -8.394 -6.278 707 HD13 LEU 96 3HD1 LEU 96 1.605 -8.777 -7.012 708 HD21 LEU 96 1HD2 LEU 96 1.513 -8.585 -3.528 709 HD22 LEU 96 2HD2 LEU 96 2.353 -7.029 -3.319 710 HD23 LEU 96 3HD2 LEU 96 0.586 -7.065 -3.534 711 H GLY 97 H GLY 97 4.778 -5.257 -2.922 712 HA2 GLY 97 1HA GLY 97 6.639 -6.327 -1.829 713 HA3 GLY 97 2HA GLY 97 7.410 -6.520 -3.391 714 H ASP 98 H ASP 98 6.803 -3.906 -4.507 715 HA ASP 98 HA ASP 98 8.960 -2.506 -3.809 716 HB2 ASP 98 1HB ASP 98 6.238 -1.666 -4.834 717 HB3 ASP 98 2HB ASP 98 7.426 -0.427 -4.482 718 H VAL 99 H VAL 99 9.359 -0.632 -2.383 719 HA VAL 99 HA VAL 99 7.634 -0.675 -0.028 720 HB VAL 99 HB VAL 99 10.456 0.260 -0.549 721 HG11 VAL 99 1HG1 VAL 99 8.847 0.516 2.015 722 HG12 VAL 99 2HG1 VAL 99 10.585 0.858 1.836 723 HG13 VAL 99 3HG1 VAL 99 9.388 1.855 0.974 724 HG21 VAL 99 1HG2 VAL 99 10.806 -1.448 1.389 725 HG22 VAL 99 2HG2 VAL 99 9.198 -2.049 0.921 726 HG23 VAL 99 3HG2 VAL 99 10.527 -2.049 -0.263 727 H LEU 100 H LEU 100 7.178 1.460 1.050 728 HA LEU 100 HA LEU 100 7.191 3.707 -0.795 729 HB2 LEU 100 1HB LEU 100 5.113 2.697 -1.338 730 HB3 LEU 100 2HB LEU 100 4.709 2.437 0.347 731 HG LEU 100 HG LEU 100 4.536 4.892 0.672 732 HD11 LEU 100 1HD1 LEU 100 4.419 5.457 -2.225 733 HD12 LEU 100 2HD1 LEU 100 5.039 6.441 -0.878 734 HD13 LEU 100 3HD1 LEU 100 6.044 5.144 -1.569 735 HD21 LEU 100 1HD2 LEU 100 2.411 4.240 0.397 736 HD22 LEU 100 2HD2 LEU 100 2.547 5.014 -1.200 737 HD23 LEU 100 3HD2 LEU 100 2.789 3.258 -1.039 738 H TYR 101 H TYR 101 8.817 4.540 0.636 739 HA TYR 101 HA TYR 101 8.474 4.704 3.405 740 HB2 TYR 101 1HB TYR 101 9.917 6.485 1.342 741 HB3 TYR 101 2HB TYR 101 10.267 6.506 3.059 742 HD1 TYR 101 2HD TYR 101 11.199 4.385 4.140 743 HD2 TYR 101 1HD TYR 101 10.957 4.916 -0.098 744 HE1 TYR 101 2HE TYR 101 12.918 2.542 3.804 745 HE2 TYR 101 1HE TYR 101 12.677 3.072 -0.420 746 HH TYR 101 HH TYR 101 14.555 1.897 2.118 747 H LEU 102 H LEU 102 6.541 5.536 4.179 748 HA LEU 102 HA LEU 102 4.934 7.403 3.177 749 HB2 LEU 102 1HB LEU 102 5.383 6.216 5.682 750 HB3 LEU 102 2HB LEU 102 5.306 7.939 5.989 751 HG LEU 102 HG LEU 102 3.166 7.080 4.207 752 HD11 LEU 102 1HD1 LEU 102 1.897 5.896 6.074 753 HD12 LEU 102 2HD1 LEU 102 3.165 4.968 5.239 754 HD13 LEU 102 3HD1 LEU 102 3.481 5.656 6.850 755 HD21 LEU 102 1HD2 LEU 102 3.382 9.234 5.516 756 HD22 LEU 102 2HD2 LEU 102 1.810 8.405 5.626 757 HD23 LEU 102 3HD2 LEU 102 2.972 8.291 6.970 758 H VAL 103 H VAL 103 7.718 8.227 5.370 759 HA VAL 103 HA VAL 103 8.366 10.481 3.749 760 HB VAL 103 HB VAL 103 6.335 11.192 5.098 761 HG11 VAL 103 1HG1 VAL 103 6.776 10.151 7.214 762 HG12 VAL 103 2HG1 VAL 103 8.353 10.965 7.351 763 HG13 VAL 103 3HG1 VAL 103 6.849 11.913 7.453 764 HG21 VAL 103 1HG2 VAL 103 7.064 13.362 5.083 765 HG22 VAL 103 2HG2 VAL 103 8.618 12.966 5.855 766 HG23 VAL 103 3HG2 VAL 103 8.368 12.619 4.127 767 H ASN 104 H ASN 104 10.099 11.865 5.175 768 HA ASN 104 HA ASN 104 12.182 11.740 5.823 769 HB2 ASN 104 1HB ASN 104 10.465 10.816 7.972 770 HB3 ASN 104 2HB ASN 104 11.982 9.946 8.083 771 HD21 ASN 104 1HD2 ASN 104 10.338 12.877 8.575 772 HD22 ASN 104 2HD2 ASN 104 11.658 13.866 9.104 773 H GLY 105 H GLY 105 11.382 9.638 3.889 774 HA2 GLY 105 1HA GLY 105 12.074 7.682 3.016 775 HA3 GLY 105 2HA GLY 105 13.620 8.068 3.747 776 H LEU 106 H LEU 106 10.865 7.743 5.912 777 HA LEU 106 HA LEU 106 11.827 5.063 6.637 778 HB2 LEU 106 1HB LEU 106 11.053 7.398 8.370 779 HB3 LEU 106 2HB LEU 106 11.032 5.753 8.973 780 HG LEU 106 HG LEU 106 13.439 7.260 7.919 781 HD11 LEU 106 1HD1 LEU 106 12.620 7.916 10.175 782 HD12 LEU 106 2HD1 LEU 106 12.866 6.236 10.712 783 HD13 LEU 106 3HD1 LEU 106 14.255 7.214 10.179 784 HD21 LEU 106 1HD2 LEU 106 14.689 5.208 8.789 785 HD22 LEU 106 2HD2 LEU 106 13.118 4.373 8.733 786 HD23 LEU 106 3HD2 LEU 106 13.822 5.046 7.243 787 H TYR 107 H TYR 107 9.845 4.346 8.438 788 HA TYR 107 HA TYR 107 7.870 3.322 8.402 789 HB2 TYR 107 1HB TYR 107 6.771 5.777 6.968 790 HB3 TYR 107 2HB TYR 107 6.077 4.933 8.338 791 HD1 TYR 107 1HD TYR 107 7.963 4.929 10.435 792 HD2 TYR 107 2HD TYR 107 7.371 7.953 7.467 793 HE1 TYR 107 1HE TYR 107 8.954 6.670 12.000 794 HE2 TYR 107 2HE TYR 107 8.364 9.684 9.042 795 HH TYR 107 HH TYR 107 9.960 8.759 11.959 796 HA PRO 108 HA PRO 108 7.977 2.491 3.897 797 HB2 PRO 108 1HB PRO 108 9.268 0.083 3.917 798 HB3 PRO 108 2HB PRO 108 10.082 1.604 3.610 799 HG2 PRO 108 1HG PRO 108 10.125 -0.062 6.052 800 HG3 PRO 108 2HG PRO 108 11.234 1.206 5.568 801 HD2 PRO 108 1HD PRO 108 9.156 1.403 7.535 802 HD3 PRO 108 2HD PRO 108 10.188 2.700 6.968 803 H LEU 109 H LEU 109 6.208 1.708 2.923 804 HA LEU 109 HA LEU 109 4.800 -0.307 4.527 805 HB2 LEU 109 1HB LEU 109 3.851 1.911 2.736 806 HB3 LEU 109 2HB LEU 109 2.824 0.537 3.094 807 HG LEU 109 HG LEU 109 2.283 2.380 4.557 808 HD11 LEU 109 1HD1 LEU 109 2.323 -0.059 5.375 809 HD12 LEU 109 2HD1 LEU 109 3.755 0.425 6.314 810 HD13 LEU 109 3HD1 LEU 109 2.195 1.236 6.589 811 HD21 LEU 109 1HD2 LEU 109 5.175 2.296 5.462 812 HD22 LEU 109 2HD2 LEU 109 4.402 3.579 4.500 813 HD23 LEU 109 3HD2 LEU 109 3.885 3.291 6.179 814 H THR 110 H THR 110 5.577 -2.248 3.760 815 HA THR 110 HA THR 110 6.151 -2.647 1.002 816 HB THR 110 HB THR 110 5.768 -4.585 3.346 817 HG1 THR 110 1HG THR 110 7.995 -3.170 2.059 818 HG21 THR 110 1HG2 THR 110 7.186 -4.860 0.644 819 HG22 THR 110 2HG2 THR 110 7.377 -5.998 1.999 820 HG23 THR 110 3HG2 THR 110 5.795 -5.819 1.203 821 H LEU 111 H LEU 111 4.859 -3.127 -0.659 822 HA LEU 111 HA LEU 111 2.055 -3.478 -0.099 823 HB2 LEU 111 1HB LEU 111 2.863 -1.968 -1.857 824 HB3 LEU 111 2HB LEU 111 3.579 -3.325 -2.704 825 HG LEU 111 HG LEU 111 1.254 -4.318 -2.882 826 HD11 LEU 111 1HD1 LEU 111 0.319 -2.887 -1.019 827 HD12 LEU 111 2HD1 LEU 111 0.302 -1.536 -2.178 828 HD13 LEU 111 3HD1 LEU 111 -0.671 -2.993 -2.495 829 HD21 LEU 111 1HD2 LEU 111 0.816 -3.225 -4.882 830 HD22 LEU 111 2HD2 LEU 111 1.375 -1.651 -4.267 831 HD23 LEU 111 3HD2 LEU 111 2.555 -2.930 -4.640 832 H ARG 112 H ARG 112 0.990 -5.386 0.024 833 HA ARG 112 HA ARG 112 2.413 -7.685 -1.056 834 HB2 ARG 112 1HB ARG 112 0.869 -7.400 1.558 835 HB3 ARG 112 2HB ARG 112 1.170 -8.974 0.850 836 HG2 ARG 112 1HG ARG 112 3.406 -6.975 1.402 837 HG3 ARG 112 2HG ARG 112 2.887 -8.155 2.589 838 HD2 ARG 112 1HD ARG 112 3.578 -10.006 1.231 839 HD3 ARG 112 2HD ARG 112 3.654 -9.029 -0.221 840 HE ARG 112 HE ARG 112 5.501 -7.813 1.447 841 HH11 ARG 112 2HH2 ARG 112 5.032 -11.115 0.325 842 HH12 ARG 112 1HH2 ARG 112 6.715 -11.516 0.404 843 HH21 ARG 112 2HH1 ARG 112 7.721 -8.341 1.551 844 HH22 ARG 112 1HH1 ARG 112 8.255 -9.928 1.105 845 H TRP 113 H TRP 113 0.857 -9.592 -1.527 846 HA TRP 113 HA TRP 113 -1.774 -8.540 -2.315 847 HB2 TRP 113 1HB TRP 113 -0.559 -8.719 -4.321 848 HB3 TRP 113 2HB TRP 113 0.167 -10.245 -3.857 849 HD1 TRP 113 HD TRP 113 -1.669 -12.420 -3.781 850 HE1 TRP 113 1HE TRP 113 -3.721 -13.009 -5.332 851 HE3 TRP 113 3HE TRP 113 -2.287 -7.726 -5.638 852 HZ2 TRP 113 2HZ TRP 113 -5.336 -11.481 -7.121 853 HZ3 TRP 113 3HZ TRP 113 -4.125 -7.360 -7.281 854 HH2 TRP 113 HH TRP 113 -5.621 -9.144 -8.026 855 H SER 114 H SER 114 -3.534 -9.883 -1.813 856 HA SER 114 HA SER 114 -2.877 -12.020 -0.005 857 HB2 SER 114 1HB SER 114 -4.759 -10.129 0.188 858 HB3 SER 114 2HB SER 114 -5.707 -11.275 -0.738 859 HG SER 114 HG SER 114 -5.062 -12.903 0.954 860 H GLY 115 H GLY 115 -3.846 -14.201 -0.230 861 HA2 GLY 115 1HA GLY 115 -5.363 -15.409 -1.932 862 HA3 GLY 115 2HA GLY 115 -4.108 -14.946 -3.064 863 HA PRO 116 HA PRO 116 -2.682 -18.876 -1.449 864 HB2 PRO 116 1HB PRO 116 -1.752 -19.875 -3.817 865 HB3 PRO 116 2HB PRO 116 -3.380 -20.155 -3.232 866 HG2 PRO 116 1HG PRO 116 -2.469 -18.339 -5.379 867 HG3 PRO 116 2HG PRO 116 -4.082 -18.948 -5.067 868 HD2 PRO 116 1HD PRO 116 -3.094 -16.322 -4.470 869 HD3 PRO 116 2HD PRO 116 -4.669 -16.969 -4.054 870 H SER 117 H SER 117 -0.639 -19.729 -0.897 871 HA SER 117 HA SER 117 1.641 -18.680 -2.094 872 HB2 SER 117 1HB SER 117 0.852 -16.622 -0.833 873 HB3 SER 117 2HB SER 117 1.054 -17.513 0.662 874 HG SER 117 HG SER 117 3.069 -16.668 -1.212 875 H SER 118 H SER 118 2.537 -20.743 -2.021 876 HA SER 118 HA SER 118 2.462 -22.106 0.533 877 HB2 SER 118 1HB SER 118 3.331 -24.064 -0.831 878 HB3 SER 118 2HB SER 118 1.743 -23.488 -1.298 879 HG SER 118 HG SER 118 2.515 -22.702 -3.188 880 H GLY 119 H GLY 119 4.134 -21.404 1.848 881 HA2 GLY 119 1HA GLY 119 6.556 -22.055 2.066 882 HA3 GLY 119 2HA GLY 119 6.800 -21.124 0.602 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -22.975 -12.662 22.517 2 HA2 GLY 1 1HA GLY 1 -23.236 -9.752 22.102 3 HA3 GLY 1 2HA GLY 1 -22.052 -10.800 21.348 4 H SER 2 H SER 2 -22.719 -10.076 19.220 5 HA SER 2 HA SER 2 -25.276 -11.249 18.451 6 HB2 SER 2 1HB SER 2 -25.022 -8.640 18.437 7 HB3 SER 2 2HB SER 2 -24.028 -8.886 17.015 8 HG SER 2 HG SER 2 -26.675 -10.019 17.241 9 H SER 3 H SER 3 -22.111 -10.029 17.116 10 HA SER 3 HA SER 3 -20.724 -10.855 15.666 11 HB2 SER 3 1HB SER 3 -22.049 -13.536 16.277 12 HB3 SER 3 2HB SER 3 -20.551 -13.349 15.386 13 HG SER 3 HG SER 3 -20.556 -11.997 17.842 14 H GLY 4 H GLY 4 -21.923 -9.574 14.029 15 HA2 GLY 4 1HA GLY 4 -23.035 -11.320 11.953 16 HA3 GLY 4 2HA GLY 4 -24.028 -10.004 12.546 17 H SER 5 H SER 5 -21.193 -10.904 10.645 18 HA SER 5 HA SER 5 -20.947 -8.096 9.892 19 HB2 SER 5 1HB SER 5 -18.801 -10.250 10.079 20 HB3 SER 5 2HB SER 5 -18.544 -8.723 9.260 21 HG SER 5 HG SER 5 -19.489 -7.921 11.545 22 H SER 6 H SER 6 -20.667 -7.652 7.611 23 HA SER 6 HA SER 6 -20.986 -7.945 5.485 24 HB2 SER 6 1HB SER 6 -20.051 -10.790 6.056 25 HB3 SER 6 2HB SER 6 -20.318 -10.173 4.438 26 HG SER 6 HG SER 6 -18.685 -8.571 4.791 27 H GLY 7 H GLY 7 -22.772 -8.338 4.113 28 HA2 GLY 7 1HA GLY 7 -24.550 -10.540 4.536 29 HA3 GLY 7 2HA GLY 7 -25.193 -9.046 5.189 30 H MET 8 H MET 8 -23.375 -10.091 2.208 31 HA MET 8 HA MET 8 -25.532 -9.231 0.581 32 HB2 MET 8 1HB MET 8 -23.777 -7.215 1.312 33 HB3 MET 8 2HB MET 8 -22.985 -7.807 -0.135 34 HG2 MET 8 1HG MET 8 -25.851 -7.581 -0.623 35 HG3 MET 8 2HG MET 8 -25.247 -6.067 0.019 36 HE1 MET 8 1HE MET 8 -24.938 -4.867 -3.535 37 HE2 MET 8 2HE MET 8 -26.268 -5.467 -2.515 38 HE3 MET 8 3HE MET 8 -25.038 -4.379 -1.827 39 H SER 9 H SER 9 -25.263 -9.899 -1.667 40 HA SER 9 HA SER 9 -24.106 -12.271 -2.027 41 HB2 SER 9 1HB SER 9 -24.305 -11.892 -4.431 42 HB3 SER 9 2HB SER 9 -25.666 -11.146 -3.618 43 HG SER 9 HG SER 9 -24.360 -9.095 -3.688 44 H GLN 10 H GLN 10 -22.002 -12.860 -1.605 45 HA GLN 10 HA GLN 10 -19.951 -11.820 -3.182 46 HB2 GLN 10 1HB GLN 10 -20.306 -9.977 -1.375 47 HB3 GLN 10 2HB GLN 10 -19.599 -11.118 -0.248 48 HG2 GLN 10 1HG GLN 10 -17.696 -9.951 -0.956 49 HG3 GLN 10 2HG GLN 10 -17.670 -11.323 -2.045 50 HE21 GLN 10 1HE2 GLN 10 -17.289 -8.110 -1.887 51 HE22 GLN 10 2HE2 GLN 10 -17.723 -7.617 -3.490 52 H LEU 11 H LEU 11 -19.512 -14.006 -3.621 53 HA LEU 11 HA LEU 11 -19.174 -15.835 -1.428 54 HB2 LEU 11 1HB LEU 11 -18.986 -16.055 -4.424 55 HB3 LEU 11 2HB LEU 11 -18.511 -17.370 -3.368 56 HG LEU 11 HG LEU 11 -20.978 -16.866 -2.371 57 HD11 LEU 11 1HD1 LEU 11 -22.493 -16.593 -4.375 58 HD12 LEU 11 2HD1 LEU 11 -21.618 -15.133 -3.854 59 HD13 LEU 11 3HD1 LEU 11 -21.061 -16.043 -5.279 60 HD21 LEU 11 1HD2 LEU 11 -21.332 -18.597 -4.627 61 HD22 LEU 11 2HD2 LEU 11 -19.715 -18.864 -3.932 62 HD23 LEU 11 3HD2 LEU 11 -21.160 -19.009 -2.904 63 H GLY 12 H GLY 12 -17.474 -14.530 -0.335 64 HA2 GLY 12 1HA GLY 12 -15.318 -14.325 0.276 65 HA3 GLY 12 2HA GLY 12 -14.906 -15.575 -0.881 66 H SER 13 H SER 13 -14.389 -12.361 -0.081 67 HA SER 13 HA SER 13 -14.482 -11.136 -2.576 68 HB2 SER 13 1HB SER 13 -13.357 -9.316 -1.531 69 HB3 SER 13 2HB SER 13 -14.311 -10.047 -0.256 70 HG SER 13 HG SER 13 -12.048 -9.546 0.331 71 H ARG 14 H ARG 14 -12.952 -10.955 -4.245 72 HA ARG 14 HA ARG 14 -11.094 -12.992 -4.445 73 HB2 ARG 14 1HB ARG 14 -11.625 -10.433 -5.991 74 HB3 ARG 14 2HB ARG 14 -10.220 -11.401 -6.394 75 HG2 ARG 14 1HG ARG 14 -11.592 -12.663 -7.691 76 HG3 ARG 14 2HG ARG 14 -12.265 -13.311 -6.207 77 HD2 ARG 14 1HD ARG 14 -14.010 -11.570 -6.174 78 HD3 ARG 14 2HD ARG 14 -13.285 -10.761 -7.549 79 HE ARG 14 HE ARG 14 -13.790 -13.447 -8.331 80 HH11 ARG 14 2HH2 ARG 14 -15.609 -10.580 -7.406 81 HH12 ARG 14 1HH2 ARG 14 -17.002 -11.005 -8.344 82 HH21 ARG 14 2HH1 ARG 14 -15.627 -14.007 -9.570 83 HH22 ARG 14 1HH1 ARG 14 -17.012 -12.968 -9.583 84 H GLY 15 H GLY 15 -8.648 -12.537 -4.977 85 HA2 GLY 15 1HA GLY 15 -7.255 -11.770 -2.798 86 HA3 GLY 15 2HA GLY 15 -6.635 -11.662 -4.434 87 H ARG 16 H ARG 16 -6.673 -9.898 -1.763 88 HA ARG 16 HA ARG 16 -7.174 -7.441 -3.240 89 HB2 ARG 16 1HB ARG 16 -7.491 -6.681 -0.594 90 HB3 ARG 16 2HB ARG 16 -8.813 -7.055 -1.683 91 HG2 ARG 16 1HG ARG 16 -8.870 -9.387 -0.915 92 HG3 ARG 16 2HG ARG 16 -7.419 -9.155 0.040 93 HD2 ARG 16 1HD ARG 16 -8.680 -7.368 1.371 94 HD3 ARG 16 2HD ARG 16 -10.132 -7.830 0.505 95 HE ARG 16 HE ARG 16 -9.135 -10.242 1.491 96 HH11 ARG 16 2HH2 ARG 16 -10.076 -7.164 2.915 97 HH12 ARG 16 1HH2 ARG 16 -10.551 -7.864 4.427 98 HH21 ARG 16 2HH1 ARG 16 -9.762 -11.165 3.485 99 HH22 ARG 16 1HH1 ARG 16 -10.371 -10.155 4.754 100 H LEU 17 H LEU 17 -5.716 -5.640 -2.705 101 HA LEU 17 HA LEU 17 -3.119 -6.585 -1.921 102 HB2 LEU 17 1HB LEU 17 -4.072 -3.841 -2.752 103 HB3 LEU 17 2HB LEU 17 -2.401 -4.325 -2.536 104 HG LEU 17 HG LEU 17 -3.749 -6.114 -4.382 105 HD11 LEU 17 1HD1 LEU 17 -4.037 -4.470 -6.226 106 HD12 LEU 17 2HD1 LEU 17 -5.212 -4.279 -4.903 107 HD13 LEU 17 3HD1 LEU 17 -3.836 -3.159 -5.039 108 HD21 LEU 17 1HD2 LEU 17 -1.391 -4.232 -4.667 109 HD22 LEU 17 2HD2 LEU 17 -1.336 -5.945 -4.188 110 HD23 LEU 17 3HD2 LEU 17 -1.854 -5.497 -5.830 111 H TRP 18 H TRP 18 -1.803 -5.501 -0.239 112 HA TRP 18 HA TRP 18 -3.085 -3.880 1.701 113 HB2 TRP 18 1HB TRP 18 -2.964 -5.507 3.570 114 HB3 TRP 18 2HB TRP 18 -4.234 -5.823 2.404 115 HD1 TRP 18 HD TRP 18 -3.812 -8.005 0.731 116 HE1 TRP 18 1HE TRP 18 -2.458 -10.252 1.015 117 HE3 TRP 18 3HE TRP 18 -0.935 -6.395 4.603 118 HZ2 TRP 18 2HZ TRP 18 -0.382 -11.085 2.788 119 HZ3 TRP 18 3HZ TRP 18 0.731 -7.988 5.552 120 HH2 TRP 18 HH TRP 18 1.032 -10.262 4.707 121 H LEU 19 H LEU 19 -1.496 -3.295 3.421 122 HA LEU 19 HA LEU 19 1.211 -3.618 2.383 123 HB2 LEU 19 1HB LEU 19 0.193 -1.720 4.497 124 HB3 LEU 19 2HB LEU 19 1.760 -1.692 3.713 125 HG LEU 19 HG LEU 19 0.679 -0.011 2.591 126 HD11 LEU 19 1HD1 LEU 19 1.390 -2.017 1.077 127 HD12 LEU 19 2HD1 LEU 19 -0.360 -2.175 0.791 128 HD13 LEU 19 3HD1 LEU 19 0.474 -0.656 0.387 129 HD21 LEU 19 1HD2 LEU 19 -1.531 0.372 2.571 130 HD22 LEU 19 2HD2 LEU 19 -1.920 -1.274 2.015 131 HD23 LEU 19 3HD2 LEU 19 -1.601 -0.969 3.740 132 H GLN 20 H GLN 20 2.924 -4.438 3.637 133 HA GLN 20 HA GLN 20 1.977 -5.929 5.953 134 HB2 GLN 20 1HB GLN 20 3.004 -7.124 3.896 135 HB3 GLN 20 2HB GLN 20 4.542 -6.455 4.405 136 HG2 GLN 20 1HG GLN 20 4.225 -7.528 6.668 137 HG3 GLN 20 2HG GLN 20 2.734 -8.248 6.095 138 HE21 GLN 20 1HE2 GLN 20 2.928 -9.463 3.981 139 HE22 GLN 20 2HE2 GLN 20 4.289 -10.517 3.788 140 H SER 21 H SER 21 2.312 -4.637 7.743 141 HA SER 21 HA SER 21 4.665 -3.011 7.837 142 HB2 SER 21 1HB SER 21 3.424 -2.892 10.351 143 HB3 SER 21 2HB SER 21 3.217 -1.754 9.034 144 HG SER 21 HG SER 21 1.168 -2.373 9.081 145 HA PRO 22 HA PRO 22 6.980 -5.834 10.208 146 HB2 PRO 22 1HB PRO 22 8.788 -4.171 11.405 147 HB3 PRO 22 2HB PRO 22 8.946 -4.726 9.751 148 HG2 PRO 22 1HG PRO 22 8.119 -2.067 10.742 149 HG3 PRO 22 2HG PRO 22 8.687 -2.515 9.146 150 HD2 PRO 22 1HD PRO 22 5.974 -1.998 9.919 151 HD3 PRO 22 2HD PRO 22 6.530 -2.559 8.354 152 H THR 23 H THR 23 7.378 -6.784 12.258 153 HA THR 23 HA THR 23 5.347 -6.620 14.015 154 HB THR 23 HB THR 23 7.224 -8.287 14.018 155 HG1 THR 23 1HG THR 23 6.899 -8.479 16.242 156 HG21 THR 23 1HG2 THR 23 8.737 -5.890 15.153 157 HG22 THR 23 2HG2 THR 23 9.220 -7.563 15.519 158 HG23 THR 23 3HG2 THR 23 9.243 -6.977 13.838 159 H GLY 24 H GLY 24 4.894 -5.599 16.026 160 HA2 GLY 24 1HA GLY 24 5.139 -3.958 17.621 161 HA3 GLY 24 2HA GLY 24 6.468 -3.252 16.724 162 H GLY 25 H GLY 25 5.172 -3.098 14.115 163 HA2 GLY 25 1HA GLY 25 3.757 -0.641 14.473 164 HA3 GLY 25 2HA GLY 25 4.082 -1.482 12.970 165 HA PRO 26 HA PRO 26 -0.350 -1.987 13.881 166 HB2 PRO 26 1HB PRO 26 -1.346 -0.846 11.605 167 HB3 PRO 26 2HB PRO 26 -1.153 0.030 13.111 168 HG2 PRO 26 1HG PRO 26 0.489 0.177 10.657 169 HG3 PRO 26 2HG PRO 26 0.395 1.316 11.986 170 HD2 PRO 26 1HD PRO 26 2.496 -0.573 11.491 171 HD3 PRO 26 2HD PRO 26 2.343 0.485 12.879 172 HA PRO 27 HA PRO 27 -0.976 -5.420 11.462 173 HB2 PRO 27 1HB PRO 27 -3.674 -5.554 11.047 174 HB3 PRO 27 2HB PRO 27 -2.910 -6.045 12.545 175 HG2 PRO 27 1HG PRO 27 -4.469 -3.599 11.974 176 HG3 PRO 27 2HG PRO 27 -4.069 -4.309 13.526 177 HD2 PRO 27 1HD PRO 27 -2.841 -2.014 12.321 178 HD3 PRO 27 2HD PRO 27 -2.364 -2.793 13.816 179 HA PRO 28 HA PRO 28 -1.195 -4.739 7.276 180 HB2 PRO 28 1HB PRO 28 -2.239 -7.023 6.198 181 HB3 PRO 28 2HB PRO 28 -0.570 -6.882 6.715 182 HG2 PRO 28 1HG PRO 28 -2.808 -8.288 8.039 183 HG3 PRO 28 2HG PRO 28 -1.086 -8.482 8.295 184 HD2 PRO 28 1HD PRO 28 -2.924 -7.076 9.989 185 HD3 PRO 28 2HD PRO 28 -1.185 -7.173 10.182 186 H ILE 29 H ILE 29 -2.389 -3.001 6.732 187 HA ILE 29 HA ILE 29 -5.240 -3.259 6.882 188 HB ILE 29 HB ILE 29 -3.368 -1.065 6.010 189 HG12 ILE 29 1HG1 ILE 29 -5.084 -0.363 8.177 190 HG13 ILE 29 2HG1 ILE 29 -4.401 -1.935 8.539 191 HG21 ILE 29 1HG2 ILE 29 -5.567 0.322 6.149 192 HG22 ILE 29 2HG2 ILE 29 -5.183 -0.578 4.663 193 HG23 ILE 29 3HG2 ILE 29 -6.361 -1.238 5.823 194 HD11 ILE 29 1HD1 ILE 29 -2.108 -1.022 7.993 195 HD12 ILE 29 2HD1 ILE 29 -2.850 0.583 7.788 196 HD13 ILE 29 3HD1 ILE 29 -2.885 -0.217 9.378 197 H PHE 30 H PHE 30 -6.717 -3.406 5.175 198 HA PHE 30 HA PHE 30 -5.487 -4.269 2.663 199 HB2 PHE 30 1HB PHE 30 -8.134 -4.708 4.137 200 HB3 PHE 30 2HB PHE 30 -8.022 -5.077 2.428 201 HD1 PHE 30 2HD PHE 30 -6.914 -6.042 5.782 202 HD2 PHE 30 1HD PHE 30 -6.739 -6.976 1.646 203 HE1 PHE 30 2HE PHE 30 -5.984 -8.308 6.333 204 HE2 PHE 30 1HE PHE 30 -5.809 -9.242 2.197 205 HZ PHE 30 HZ PHE 30 -5.443 -9.880 4.534 206 H LEU 31 H LEU 31 -5.429 -2.756 1.073 207 HA LEU 31 HA LEU 31 -6.927 -0.384 1.215 208 HB2 LEU 31 1HB LEU 31 -5.736 -1.415 -1.330 209 HB3 LEU 31 2HB LEU 31 -5.840 0.229 -0.732 210 HG LEU 31 HG LEU 31 -3.895 -1.938 0.015 211 HD11 LEU 31 1HD1 LEU 31 -2.491 -0.729 -1.202 212 HD12 LEU 31 2HD1 LEU 31 -3.822 0.382 -1.606 213 HD13 LEU 31 3HD1 LEU 31 -2.795 0.702 -0.188 214 HD21 LEU 31 1HD2 LEU 31 -5.071 -0.036 1.861 215 HD22 LEU 31 2HD2 LEU 31 -3.942 -1.379 2.164 216 HD23 LEU 31 3HD2 LEU 31 -3.318 0.220 1.692 217 HA PRO 32 HA PRO 32 -10.602 -1.476 -0.763 218 HB2 PRO 32 1HB PRO 32 -11.290 0.796 -2.117 219 HB3 PRO 32 2HB PRO 32 -11.535 0.597 -0.393 220 HG2 PRO 32 1HG PRO 32 -9.482 2.190 -1.802 221 HG3 PRO 32 2HG PRO 32 -10.009 2.307 -0.135 222 HD2 PRO 32 1HD PRO 32 -7.589 1.098 -1.088 223 HD3 PRO 32 2HD PRO 32 -8.172 1.113 0.564 224 H SER 33 H SER 33 -11.056 -2.922 -2.290 225 HA SER 33 HA SER 33 -9.352 -2.887 -4.559 226 HB2 SER 33 1HB SER 33 -11.769 -4.638 -3.920 227 HB3 SER 33 2HB SER 33 -10.622 -4.936 -5.211 228 HG SER 33 HG SER 33 -9.398 -5.942 -3.786 229 H ASP 34 H ASP 34 -12.505 -1.626 -3.693 230 HA ASP 34 HA ASP 34 -13.832 -1.688 -6.055 231 HB2 ASP 34 1HB ASP 34 -14.141 -0.452 -3.571 232 HB3 ASP 34 2HB ASP 34 -13.999 0.921 -4.650 233 H GLY 35 H GLY 35 -11.131 0.380 -4.938 234 HA2 GLY 35 1HA GLY 35 -9.718 1.096 -6.881 235 HA3 GLY 35 2HA GLY 35 -11.178 1.829 -7.516 236 H GLN 36 H GLN 36 -11.781 2.219 -4.352 237 HA GLN 36 HA GLN 36 -11.393 4.886 -4.292 238 HB2 GLN 36 1HB GLN 36 -11.733 2.765 -2.195 239 HB3 GLN 36 2HB GLN 36 -11.250 4.357 -1.641 240 HG2 GLN 36 1HG GLN 36 -13.647 4.372 -1.608 241 HG3 GLN 36 2HG GLN 36 -13.196 5.315 -3.015 242 HE21 GLN 36 1HE2 GLN 36 -13.557 4.558 -5.063 243 HE22 GLN 36 2HE2 GLN 36 -14.542 3.181 -5.426 244 H ALA 37 H ALA 37 -9.925 6.111 -2.595 245 HA ALA 37 HA ALA 37 -7.200 5.041 -2.889 246 HB1 ALA 37 1HB ALA 37 -7.656 7.973 -2.566 247 HB2 ALA 37 2HB ALA 37 -6.465 7.103 -3.562 248 HB3 ALA 37 3HB ALA 37 -8.148 7.256 -4.119 249 H LEU 38 H LEU 38 -6.212 4.545 -0.998 250 HA LEU 38 HA LEU 38 -7.474 5.490 1.446 251 HB2 LEU 38 1HB LEU 38 -6.813 3.048 0.845 252 HB3 LEU 38 2HB LEU 38 -5.192 3.549 1.284 253 HG LEU 38 HG LEU 38 -5.828 4.001 3.537 254 HD11 LEU 38 1HD1 LEU 38 -8.637 3.854 2.486 255 HD12 LEU 38 2HD1 LEU 38 -8.300 3.513 4.200 256 HD13 LEU 38 3HD1 LEU 38 -7.865 5.092 3.504 257 HD21 LEU 38 1HD2 LEU 38 -5.446 1.790 3.669 258 HD22 LEU 38 2HD2 LEU 38 -7.200 1.697 3.960 259 HD23 LEU 38 3HD2 LEU 38 -6.552 1.407 2.328 260 H VAL 39 H VAL 39 -6.852 7.580 1.861 261 HA VAL 39 HA VAL 39 -4.236 8.498 1.270 262 HB VAL 39 HB VAL 39 -6.731 9.527 2.477 263 HG11 VAL 39 1HG1 VAL 39 -5.569 10.372 4.261 264 HG12 VAL 39 2HG1 VAL 39 -4.022 10.415 3.380 265 HG13 VAL 39 3HG1 VAL 39 -5.255 11.663 3.076 266 HG21 VAL 39 1HG2 VAL 39 -6.718 10.472 0.453 267 HG22 VAL 39 2HG2 VAL 39 -5.396 11.519 1.024 268 HG23 VAL 39 3HG2 VAL 39 -5.024 9.999 0.175 269 H LEU 40 H LEU 40 -2.411 8.003 2.360 270 HA LEU 40 HA LEU 40 -2.696 7.000 5.078 271 HB2 LEU 40 1HB LEU 40 -1.076 6.354 2.849 272 HB3 LEU 40 2HB LEU 40 -0.006 6.987 4.084 273 HG LEU 40 HG LEU 40 -1.006 5.340 5.703 274 HD11 LEU 40 1HD1 LEU 40 -2.129 3.338 4.586 275 HD12 LEU 40 2HD1 LEU 40 -3.108 4.810 4.796 276 HD13 LEU 40 3HD1 LEU 40 -2.421 4.418 3.201 277 HD21 LEU 40 1HD2 LEU 40 1.144 5.045 4.355 278 HD22 LEU 40 2HD2 LEU 40 0.408 3.583 5.054 279 HD23 LEU 40 3HD2 LEU 40 0.207 3.939 3.322 280 H GLY 41 H GLY 41 -0.695 7.691 6.549 281 HA2 GLY 41 1HA GLY 41 0.797 9.788 6.622 282 HA3 GLY 41 2HA GLY 41 -0.735 10.634 6.545 283 H ARG 42 H ARG 42 -0.055 11.520 8.698 284 HA ARG 42 HA ARG 42 0.412 9.982 10.883 285 HB2 ARG 42 1HB ARG 42 -0.366 12.750 10.320 286 HB3 ARG 42 2HB ARG 42 -1.132 12.199 11.796 287 HG2 ARG 42 1HG ARG 42 1.092 11.452 12.671 288 HG3 ARG 42 2HG ARG 42 1.858 12.004 11.195 289 HD2 ARG 42 1HD ARG 42 0.318 13.778 13.153 290 HD3 ARG 42 2HD ARG 42 2.063 13.690 13.026 291 HE ARG 42 HE ARG 42 1.239 14.282 10.433 292 HH11 ARG 42 2HH2 ARG 42 0.752 15.763 13.587 293 HH12 ARG 42 1HH2 ARG 42 0.604 17.368 12.953 294 HH21 ARG 42 2HH1 ARG 42 1.045 16.399 9.595 295 HH22 ARG 42 1HH1 ARG 42 0.772 17.732 10.667 296 H GLY 43 H GLY 43 -0.921 9.077 12.565 297 HA2 GLY 43 1HA GLY 43 -3.343 9.182 13.364 298 HA3 GLY 43 2HA GLY 43 -3.719 8.635 11.742 299 HA PRO 44 HA PRO 44 -2.822 4.986 14.376 300 HB2 PRO 44 1HB PRO 44 -5.316 3.872 14.454 301 HB3 PRO 44 2HB PRO 44 -4.683 4.895 15.728 302 HG2 PRO 44 1HG PRO 44 -6.687 5.543 13.653 303 HG3 PRO 44 2HG PRO 44 -6.359 6.375 15.160 304 HD2 PRO 44 1HD PRO 44 -5.560 7.203 12.532 305 HD3 PRO 44 2HD PRO 44 -5.134 7.972 14.048 306 H LEU 45 H LEU 45 -3.628 5.748 11.324 307 HA LEU 45 HA LEU 45 -4.240 3.261 10.225 308 HB2 LEU 45 1HB LEU 45 -3.026 5.792 9.153 309 HB3 LEU 45 2HB LEU 45 -3.205 4.376 8.137 310 HG LEU 45 HG LEU 45 -5.711 4.461 8.945 311 HD11 LEU 45 1HD1 LEU 45 -4.854 7.344 9.327 312 HD12 LEU 45 2HD1 LEU 45 -6.527 6.735 9.328 313 HD13 LEU 45 3HD1 LEU 45 -5.395 6.227 10.604 314 HD21 LEU 45 1HD2 LEU 45 -6.290 5.724 6.979 315 HD22 LEU 45 2HD2 LEU 45 -4.672 6.465 6.924 316 HD23 LEU 45 3HD2 LEU 45 -4.863 4.720 6.625 317 H THR 46 H THR 46 -1.039 4.987 10.344 318 HA THR 46 HA THR 46 0.212 2.321 10.217 319 HB THR 46 HB THR 46 2.018 3.410 8.965 320 HG1 THR 46 1HG THR 46 0.379 5.814 9.298 321 HG21 THR 46 1HG2 THR 46 0.715 3.287 7.090 322 HG22 THR 46 2HG2 THR 46 -0.757 3.576 8.048 323 HG23 THR 46 3HG2 THR 46 0.184 4.953 7.425 324 H GLN 47 H GLN 47 -0.734 4.442 12.441 325 HA GLN 47 HA GLN 47 -0.105 4.865 14.477 326 HB2 GLN 47 1HB GLN 47 2.161 2.896 13.939 327 HB3 GLN 47 2HB GLN 47 1.792 3.559 15.519 328 HG2 GLN 47 1HG GLN 47 -0.669 2.561 14.383 329 HG3 GLN 47 2HG GLN 47 0.553 1.320 14.187 330 HE21 GLN 47 1HE2 GLN 47 -1.810 1.480 15.926 331 HE22 GLN 47 2HE2 GLN 47 -1.263 1.233 17.551 332 H VAL 48 H VAL 48 1.143 6.154 11.913 333 HA VAL 48 HA VAL 48 3.678 7.116 12.795 334 HB VAL 48 HB VAL 48 1.797 7.871 10.557 335 HG11 VAL 48 1HG1 VAL 48 2.957 9.876 10.897 336 HG12 VAL 48 2HG1 VAL 48 4.464 9.043 11.348 337 HG13 VAL 48 3HG1 VAL 48 3.920 9.044 9.653 338 HG21 VAL 48 1HG2 VAL 48 3.094 5.614 10.648 339 HG22 VAL 48 2HG2 VAL 48 3.129 6.577 9.152 340 HG23 VAL 48 3HG2 VAL 48 4.518 6.611 10.264 341 H THR 49 H THR 49 4.112 8.807 14.126 342 HA THR 49 HA THR 49 1.937 10.735 14.580 343 HB THR 49 HB THR 49 2.662 10.692 17.009 344 HG1 THR 49 1HG THR 49 4.784 9.819 16.713 345 HG21 THR 49 1HG2 THR 49 1.915 8.281 17.501 346 HG22 THR 49 2HG2 THR 49 0.764 9.237 16.537 347 HG23 THR 49 3HG2 THR 49 1.814 8.040 15.741 348 H ASP 50 H ASP 50 4.141 10.876 12.676 349 HA ASP 50 HA ASP 50 5.927 12.725 13.994 350 HB2 ASP 50 1HB ASP 50 6.576 10.838 12.270 351 HB3 ASP 50 2HB ASP 50 5.992 11.958 11.055 352 H ARG 51 H ARG 51 5.799 14.974 13.606 353 HA ARG 51 HA ARG 51 3.474 15.974 12.502 354 HB2 ARG 51 1HB ARG 51 6.155 17.299 13.132 355 HB3 ARG 51 2HB ARG 51 4.746 18.213 12.633 356 HG2 ARG 51 1HG ARG 51 3.563 17.752 14.614 357 HG3 ARG 51 2HG ARG 51 4.437 16.264 14.918 358 HD2 ARG 51 1HD ARG 51 5.726 17.437 16.381 359 HD3 ARG 51 2HD ARG 51 6.456 18.220 14.993 360 HE ARG 51 HE ARG 51 4.421 19.365 16.786 361 HH11 ARG 51 2HH2 ARG 51 6.043 19.621 13.673 362 HH12 ARG 51 1HH2 ARG 51 5.663 21.298 13.469 363 HH21 ARG 51 2HH1 ARG 51 3.920 21.579 16.517 364 HH22 ARG 51 1HH1 ARG 51 4.447 22.419 15.098 365 H LYS 52 H LYS 52 6.680 15.248 11.145 366 HA LYS 52 HA LYS 52 6.505 16.846 8.851 367 HB2 LYS 52 1HB LYS 52 8.021 14.252 9.265 368 HB3 LYS 52 2HB LYS 52 8.318 15.435 8.008 369 HG2 LYS 52 1HG LYS 52 8.337 16.953 10.387 370 HG3 LYS 52 2HG LYS 52 9.153 15.467 10.829 371 HD2 LYS 52 1HD LYS 52 10.683 15.718 8.865 372 HD3 LYS 52 2HD LYS 52 9.864 17.201 8.415 373 HE2 LYS 52 1HE LYS 52 11.808 17.892 9.640 374 HE3 LYS 52 2HE LYS 52 10.461 18.119 10.738 375 HZ1 LYS 52 1HZ LYS 52 12.503 16.897 11.566 376 HZ2 LYS 52 2HZ LYS 52 11.046 16.253 11.927 377 HZ3 LYS 52 3HZ LYS 52 11.951 15.607 10.731 378 H CYS 53 H CYS 53 4.718 14.078 9.866 379 HA CYS 53 HA CYS 53 4.165 13.242 7.154 380 HB2 CYS 53 1HB CYS 53 4.054 12.003 9.751 381 HB3 CYS 53 2HB CYS 53 2.471 11.900 9.004 382 HG CYS 53 HG CYS 53 2.965 10.474 7.114 383 H SER 54 H SER 54 2.211 13.697 6.079 384 HA SER 54 HA SER 54 0.479 15.543 7.520 385 HB2 SER 54 1HB SER 54 1.759 15.944 5.136 386 HB3 SER 54 2HB SER 54 0.247 15.279 4.551 387 HG SER 54 HG SER 54 -0.542 17.246 4.824 388 H ARG 55 H ARG 55 -1.721 15.062 7.752 389 HA ARG 55 HA ARG 55 -2.607 12.598 7.864 390 HB2 ARG 55 1HB ARG 55 -3.784 15.174 7.888 391 HB3 ARG 55 2HB ARG 55 -4.731 14.283 6.715 392 HG2 ARG 55 1HG ARG 55 -4.378 12.459 8.844 393 HG3 ARG 55 2HG ARG 55 -4.647 13.997 9.639 394 HD2 ARG 55 1HD ARG 55 -6.831 14.161 8.897 395 HD3 ARG 55 2HD ARG 55 -6.470 13.447 7.337 396 HE ARG 55 HE ARG 55 -7.154 11.398 8.202 397 HH11 ARG 55 2HH2 ARG 55 -6.044 13.409 10.868 398 HH12 ARG 55 1HH2 ARG 55 -6.437 12.239 12.083 399 HH21 ARG 55 2HH1 ARG 55 -7.673 9.854 9.805 400 HH22 ARG 55 1HH1 ARG 55 -7.370 10.203 11.474 401 H ASN 56 H ASN 56 -2.205 14.523 4.897 402 HA ASN 56 HA ASN 56 -3.123 12.192 3.405 403 HB2 ASN 56 1HB ASN 56 -3.512 14.103 1.556 404 HB3 ASN 56 2HB ASN 56 -4.747 13.746 2.746 405 HD21 ASN 56 1HD2 ASN 56 -5.493 15.892 2.368 406 HD22 ASN 56 2HD2 ASN 56 -4.769 17.249 3.164 407 H GLN 57 H GLN 57 -0.536 12.069 4.070 408 HA GLN 57 HA GLN 57 1.224 13.683 2.670 409 HB2 GLN 57 1HB GLN 57 1.995 12.388 4.558 410 HB3 GLN 57 2HB GLN 57 1.487 10.880 3.824 411 HG2 GLN 57 1HG GLN 57 3.938 11.179 3.611 412 HG3 GLN 57 2HG GLN 57 3.178 11.141 2.032 413 HE21 GLN 57 1HE2 GLN 57 5.267 12.169 1.497 414 HE22 GLN 57 2HE2 GLN 57 5.391 13.896 1.561 415 H VAL 58 H VAL 58 -0.250 10.476 1.884 416 HA VAL 58 HA VAL 58 0.259 11.031 -0.920 417 HB VAL 58 HB VAL 58 1.101 8.663 -1.188 418 HG11 VAL 58 1HG1 VAL 58 3.205 9.996 0.398 419 HG12 VAL 58 2HG1 VAL 58 3.196 9.490 -1.309 420 HG13 VAL 58 3HG1 VAL 58 2.435 11.027 -0.832 421 HG21 VAL 58 1HG2 VAL 58 0.653 8.642 1.650 422 HG22 VAL 58 2HG2 VAL 58 1.174 7.314 0.585 423 HG23 VAL 58 3HG2 VAL 58 2.385 8.384 1.331 424 H GLU 59 H GLU 59 -1.070 9.624 -2.343 425 HA GLU 59 HA GLU 59 -3.395 8.681 -0.855 426 HB2 GLU 59 1HB GLU 59 -4.128 10.524 -2.153 427 HB3 GLU 59 2HB GLU 59 -3.128 10.088 -3.523 428 HG2 GLU 59 1HG GLU 59 -4.542 8.019 -3.851 429 HG3 GLU 59 2HG GLU 59 -5.574 8.545 -2.536 430 H LEU 60 H LEU 60 -3.049 6.479 -0.641 431 HA LEU 60 HA LEU 60 -1.880 5.007 -2.816 432 HB2 LEU 60 1HB LEU 60 -2.822 4.351 -0.041 433 HB3 LEU 60 2HB LEU 60 -2.448 3.077 -1.184 434 HG LEU 60 HG LEU 60 -0.202 4.631 -1.379 435 HD11 LEU 60 1HD1 LEU 60 0.499 5.110 0.968 436 HD12 LEU 60 2HD1 LEU 60 -0.812 6.155 0.369 437 HD13 LEU 60 3HD1 LEU 60 -1.179 4.815 1.482 438 HD21 LEU 60 1HD2 LEU 60 -0.926 2.168 0.149 439 HD22 LEU 60 2HD2 LEU 60 0.188 2.386 -1.223 440 HD23 LEU 60 3HD2 LEU 60 0.678 2.894 0.411 441 H ILE 61 H ILE 61 -2.911 3.521 -4.179 442 HA ILE 61 HA ILE 61 -5.800 3.276 -3.877 443 HB ILE 61 HB ILE 61 -4.380 4.386 -6.292 444 HG12 ILE 61 1HG1 ILE 61 -6.784 5.455 -4.795 445 HG13 ILE 61 2HG1 ILE 61 -5.137 5.908 -4.407 446 HG21 ILE 61 1HG2 ILE 61 -7.109 4.242 -6.874 447 HG22 ILE 61 2HG2 ILE 61 -5.797 3.282 -7.599 448 HG23 ILE 61 3HG2 ILE 61 -6.697 2.646 -6.202 449 HD11 ILE 61 1HD1 ILE 61 -6.217 6.141 -7.241 450 HD12 ILE 61 2HD1 ILE 61 -6.416 7.444 -6.045 451 HD13 ILE 61 3HD1 ILE 61 -4.785 6.933 -6.540 452 H ALA 62 H ALA 62 -6.219 1.142 -3.819 453 HA ALA 62 HA ALA 62 -4.263 -0.723 -4.729 454 HB1 ALA 62 1HB ALA 62 -5.340 -1.966 -3.201 455 HB2 ALA 62 2HB ALA 62 -6.533 -0.662 -2.990 456 HB3 ALA 62 3HB ALA 62 -6.813 -1.937 -4.200 457 H ASP 63 H ASP 63 -4.010 -1.460 -6.773 458 HA ASP 63 HA ASP 63 -6.364 -1.283 -8.486 459 HB2 ASP 63 1HB ASP 63 -3.547 -1.288 -9.586 460 HB3 ASP 63 2HB ASP 63 -5.004 -0.641 -10.314 461 HA PRO 64 HA PRO 64 -5.055 -5.623 -8.275 462 HB2 PRO 64 1HB PRO 64 -7.552 -6.725 -8.128 463 HB3 PRO 64 2HB PRO 64 -6.602 -6.311 -6.715 464 HG2 PRO 64 1HG PRO 64 -8.939 -4.904 -7.855 465 HG3 PRO 64 2HG PRO 64 -8.252 -4.768 -6.248 466 HD2 PRO 64 1HD PRO 64 -7.952 -2.902 -8.406 467 HD3 PRO 64 2HD PRO 64 -7.172 -2.826 -6.839 468 H GLU 65 H GLU 65 -6.390 -3.674 -10.494 469 HA GLU 65 HA GLU 65 -7.358 -5.537 -12.320 470 HB2 GLU 65 1HB GLU 65 -6.300 -2.702 -12.591 471 HB3 GLU 65 2HB GLU 65 -6.859 -3.602 -13.987 472 HG2 GLU 65 1HG GLU 65 -9.089 -3.857 -13.031 473 HG3 GLU 65 2HG GLU 65 -8.561 -3.229 -11.483 474 H SER 66 H SER 66 -4.102 -4.093 -11.767 475 HA SER 66 HA SER 66 -3.061 -6.205 -13.476 476 HB2 SER 66 1HB SER 66 -2.782 -3.286 -13.816 477 HB3 SER 66 2HB SER 66 -1.234 -4.106 -13.773 478 HG SER 66 HG SER 66 -2.414 -5.668 -15.373 479 H ARG 67 H ARG 67 -3.416 -5.510 -10.445 480 HA ARG 67 HA ARG 67 -2.332 -5.809 -8.602 481 HB2 ARG 67 1HB ARG 67 -0.117 -7.032 -10.328 482 HB3 ARG 67 2HB ARG 67 -0.269 -7.234 -8.594 483 HG2 ARG 67 1HG ARG 67 -2.440 -8.063 -10.575 484 HG3 ARG 67 2HG ARG 67 -1.201 -9.157 -9.991 485 HD2 ARG 67 1HD ARG 67 -2.199 -8.009 -7.629 486 HD3 ARG 67 2HD ARG 67 -3.631 -8.183 -8.623 487 HE ARG 67 HE ARG 67 -2.023 -10.348 -7.485 488 HH11 ARG 67 2HH2 ARG 67 -4.290 -9.490 -10.036 489 HH12 ARG 67 1HH2 ARG 67 -4.840 -11.115 -10.271 490 HH21 ARG 67 2HH1 ARG 67 -2.747 -12.493 -7.794 491 HH22 ARG 67 1HH1 ARG 67 -3.956 -12.835 -8.987 492 H THR 68 H THR 68 -2.172 -3.320 -8.799 493 HA THR 68 HA THR 68 0.590 -2.573 -8.330 494 HB THR 68 HB THR 68 0.200 -0.581 -9.974 495 HG1 THR 68 1HG THR 68 -1.782 -2.617 -10.718 496 HG21 THR 68 1HG2 THR 68 0.318 -3.418 -11.128 497 HG22 THR 68 2HG2 THR 68 0.772 -1.931 -11.995 498 HG23 THR 68 3HG2 THR 68 1.726 -2.471 -10.592 499 H VAL 69 H VAL 69 0.598 -0.076 -7.744 500 HA VAL 69 HA VAL 69 -1.876 0.668 -6.428 501 HB VAL 69 HB VAL 69 0.720 0.217 -4.942 502 HG11 VAL 69 1HG1 VAL 69 -1.324 0.734 -3.105 503 HG12 VAL 69 2HG1 VAL 69 0.013 1.820 -3.552 504 HG13 VAL 69 3HG1 VAL 69 -1.554 1.947 -4.387 505 HG21 VAL 69 1HG2 VAL 69 -1.977 -1.150 -4.652 506 HG22 VAL 69 2HG2 VAL 69 -0.527 -1.858 -5.403 507 HG23 VAL 69 3HG2 VAL 69 -0.525 -1.460 -3.669 508 H ALA 70 H ALA 70 -2.207 2.815 -6.725 509 HA ALA 70 HA ALA 70 -0.015 4.344 -7.845 510 HB1 ALA 70 1HB ALA 70 -2.365 5.915 -7.547 511 HB2 ALA 70 2HB ALA 70 -1.729 5.174 -9.035 512 HB3 ALA 70 3HB ALA 70 -2.899 4.286 -8.029 513 H VAL 71 H VAL 71 0.811 6.286 -6.927 514 HA VAL 71 HA VAL 71 -0.067 6.856 -4.199 515 HB VAL 71 HB VAL 71 2.791 6.379 -5.065 516 HG11 VAL 71 1HG1 VAL 71 2.006 6.852 -2.214 517 HG12 VAL 71 2HG1 VAL 71 3.544 7.180 -3.047 518 HG13 VAL 71 3HG1 VAL 71 2.147 8.254 -3.302 519 HG21 VAL 71 1HG2 VAL 71 1.865 4.251 -4.751 520 HG22 VAL 71 2HG2 VAL 71 2.600 4.624 -3.174 521 HG23 VAL 71 3HG2 VAL 71 0.842 4.789 -3.397 522 H LYS 72 H LYS 72 -0.765 8.926 -4.288 523 HA LYS 72 HA LYS 72 0.765 10.751 -6.008 524 HB2 LYS 72 1HB LYS 72 -1.666 10.231 -6.603 525 HB3 LYS 72 2HB LYS 72 -2.114 11.104 -5.152 526 HG2 LYS 72 1HG LYS 72 -0.520 12.995 -6.129 527 HG3 LYS 72 2HG LYS 72 -0.760 12.157 -7.649 528 HD2 LYS 72 1HD LYS 72 -3.087 13.023 -5.878 529 HD3 LYS 72 2HD LYS 72 -2.412 14.064 -7.116 530 HE2 LYS 72 1HE LYS 72 -3.334 11.233 -7.759 531 HE3 LYS 72 2HE LYS 72 -4.455 12.580 -7.763 532 HZ1 LYS 72 1HZ LYS 72 -3.103 11.915 -9.872 533 HZ2 LYS 72 2HZ LYS 72 -3.476 13.476 -9.569 534 HZ3 LYS 72 3HZ LYS 72 -1.982 12.913 -9.227 535 H GLN 73 H GLN 73 1.988 12.222 -4.965 536 HA GLN 73 HA GLN 73 1.827 12.386 -2.157 537 HB2 GLN 73 1HB GLN 73 3.989 12.605 -3.195 538 HB3 GLN 73 2HB GLN 73 3.435 13.882 -4.260 539 HG2 GLN 73 1HG GLN 73 3.364 15.493 -2.518 540 HG3 GLN 73 2HG GLN 73 3.273 14.276 -1.259 541 HE21 GLN 73 1HE2 GLN 73 5.137 16.581 -2.002 542 HE22 GLN 73 2HE2 GLN 73 6.735 15.928 -1.861 543 H LEU 74 H LEU 74 0.408 13.600 -0.989 544 HA LEU 74 HA LEU 74 -0.591 16.049 -2.268 545 HB2 LEU 74 1HB LEU 74 -2.199 14.559 -0.240 546 HB3 LEU 74 2HB LEU 74 -2.723 15.662 -1.497 547 HG LEU 74 HG LEU 74 -1.490 13.280 -2.633 548 HD11 LEU 74 1HD1 LEU 74 -4.064 12.442 -1.528 549 HD12 LEU 74 2HD1 LEU 74 -2.512 11.574 -1.623 550 HD13 LEU 74 3HD1 LEU 74 -2.819 12.704 -0.282 551 HD21 LEU 74 1HD2 LEU 74 -4.221 14.568 -2.879 552 HD22 LEU 74 2HD2 LEU 74 -2.820 14.785 -3.956 553 HD23 LEU 74 3HD2 LEU 74 -3.644 13.209 -3.873 554 H GLY 75 H GLY 75 1.654 15.057 -0.186 555 HA2 GLY 75 1HA GLY 75 0.919 16.870 2.010 556 HA3 GLY 75 2HA GLY 75 2.171 15.644 2.032 557 H VAL 76 H VAL 76 3.891 17.025 2.633 558 HA VAL 76 HA VAL 76 4.591 19.012 0.582 559 HB VAL 76 HB VAL 76 4.080 20.324 2.396 560 HG11 VAL 76 1HG1 VAL 76 5.365 18.315 4.277 561 HG12 VAL 76 2HG1 VAL 76 4.469 19.786 4.729 562 HG13 VAL 76 3HG1 VAL 76 3.620 18.432 3.945 563 HG21 VAL 76 1HG2 VAL 76 6.515 20.523 1.602 564 HG22 VAL 76 2HG2 VAL 76 6.095 21.273 3.160 565 HG23 VAL 76 3HG2 VAL 76 6.949 19.712 3.126 566 H ASN 77 H ASN 77 5.855 16.801 3.168 567 HA ASN 77 HA ASN 77 8.474 16.910 2.300 568 HB2 ASN 77 1HB ASN 77 6.846 14.889 3.889 569 HB3 ASN 77 2HB ASN 77 8.511 14.527 3.479 570 HD21 ASN 77 1HD2 ASN 77 6.364 16.316 5.451 571 HD22 ASN 77 2HD2 ASN 77 7.519 17.161 6.427 572 HA PRO 78 HA PRO 78 8.211 14.281 -1.211 573 HB2 PRO 78 1HB PRO 78 10.858 13.724 -1.599 574 HB3 PRO 78 2HB PRO 78 10.101 15.207 -2.143 575 HG2 PRO 78 1HG PRO 78 11.905 14.784 0.161 576 HG3 PRO 78 2HG PRO 78 11.486 16.283 -0.645 577 HD2 PRO 78 1HD PRO 78 10.481 15.350 1.874 578 HD3 PRO 78 2HD PRO 78 9.977 16.791 1.014 579 H SER 79 H SER 79 7.474 12.274 -1.488 580 HA SER 79 HA SER 79 8.418 10.415 0.521 581 HB2 SER 79 1HB SER 79 5.997 10.529 -1.295 582 HB3 SER 79 2HB SER 79 6.467 9.006 -0.568 583 HG SER 79 HG SER 79 5.502 9.656 1.218 584 H THR 80 H THR 80 8.866 8.105 -0.199 585 HA THR 80 HA THR 80 10.011 8.088 -2.916 586 HB THR 80 HB THR 80 11.058 6.789 -0.344 587 HG1 THR 80 1HG THR 80 12.754 8.483 -0.881 588 HG21 THR 80 1HG2 THR 80 13.079 6.329 -1.684 589 HG22 THR 80 2HG2 THR 80 11.681 5.561 -2.474 590 HG23 THR 80 3HG2 THR 80 12.336 7.088 -3.112 591 H VAL 81 H VAL 81 8.707 6.928 -4.194 592 HA VAL 81 HA VAL 81 7.228 4.728 -3.030 593 HB VAL 81 HB VAL 81 7.225 6.213 -5.638 594 HG11 VAL 81 1HG1 VAL 81 6.390 3.409 -5.185 595 HG12 VAL 81 2HG1 VAL 81 5.185 4.444 -5.988 596 HG13 VAL 81 3HG1 VAL 81 6.809 4.256 -6.693 597 HG21 VAL 81 1HG2 VAL 81 4.804 5.537 -3.998 598 HG22 VAL 81 2HG2 VAL 81 5.920 6.797 -3.418 599 HG23 VAL 81 3HG2 VAL 81 5.138 6.965 -5.008 600 H GLY 82 H GLY 82 9.293 3.557 -2.480 601 HA2 GLY 82 1HA GLY 82 10.123 1.430 -3.119 602 HA3 GLY 82 2HA GLY 82 10.106 1.928 -4.799 603 H VAL 83 H VAL 83 11.833 3.152 -5.676 604 HA VAL 83 HA VAL 83 13.984 3.807 -3.797 605 HB VAL 83 HB VAL 83 14.369 1.599 -4.878 606 HG11 VAL 83 1HG1 VAL 83 13.442 2.896 -7.185 607 HG12 VAL 83 2HG1 VAL 83 15.179 2.633 -7.469 608 HG13 VAL 83 3HG1 VAL 83 14.123 1.256 -7.072 609 HG21 VAL 83 1HG2 VAL 83 16.459 2.221 -4.375 610 HG22 VAL 83 2HG2 VAL 83 16.626 2.712 -6.077 611 HG23 VAL 83 3HG2 VAL 83 16.151 3.909 -4.849 612 H GLN 84 H GLN 84 11.708 5.185 -5.442 613 HA GLN 84 HA GLN 84 13.523 7.086 -6.706 614 HB2 GLN 84 1HB GLN 84 12.404 6.055 -8.538 615 HB3 GLN 84 2HB GLN 84 10.869 6.001 -7.694 616 HG2 GLN 84 1HG GLN 84 10.471 8.323 -7.986 617 HG3 GLN 84 2HG GLN 84 12.165 8.683 -8.253 618 HE21 GLN 84 1HE2 GLN 84 10.679 9.794 -10.009 619 HE22 GLN 84 2HE2 GLN 84 10.633 8.986 -11.540 620 H GLU 85 H GLU 85 13.327 9.190 -5.998 621 HA GLU 85 HA GLU 85 11.532 9.649 -3.859 622 HB2 GLU 85 1HB GLU 85 13.976 10.717 -4.711 623 HB3 GLU 85 2HB GLU 85 12.852 12.032 -4.988 624 HG2 GLU 85 1HG GLU 85 12.695 12.458 -2.764 625 HG3 GLU 85 2HG GLU 85 12.264 10.795 -2.420 626 H LEU 86 H LEU 86 9.687 10.999 -3.789 627 HA LEU 86 HA LEU 86 8.619 11.638 -6.438 628 HB2 LEU 86 1HB LEU 86 7.398 10.931 -3.796 629 HB3 LEU 86 2HB LEU 86 6.475 11.866 -4.956 630 HG LEU 86 HG LEU 86 7.513 9.047 -5.219 631 HD11 LEU 86 1HD1 LEU 86 5.008 8.854 -6.000 632 HD12 LEU 86 2HD1 LEU 86 5.429 8.908 -4.271 633 HD13 LEU 86 3HD1 LEU 86 4.832 10.373 -5.088 634 HD21 LEU 86 1HD2 LEU 86 6.505 9.179 -7.582 635 HD22 LEU 86 2HD2 LEU 86 6.708 10.940 -7.420 636 HD23 LEU 86 3HD2 LEU 86 8.125 9.868 -7.316 637 H LYS 87 H LYS 87 6.772 13.583 -5.881 638 HA LYS 87 HA LYS 87 8.169 15.672 -4.420 639 HB2 LYS 87 1HB LYS 87 8.164 15.465 -7.312 640 HB3 LYS 87 2HB LYS 87 7.333 16.920 -6.801 641 HG2 LYS 87 1HG LYS 87 9.243 17.695 -5.541 642 HG3 LYS 87 2HG LYS 87 10.031 16.132 -5.628 643 HD2 LYS 87 1HD LYS 87 11.175 17.094 -7.372 644 HD3 LYS 87 2HD LYS 87 9.761 16.629 -8.297 645 HE2 LYS 87 1HE LYS 87 9.440 18.818 -8.801 646 HE3 LYS 87 2HE LYS 87 9.052 19.106 -7.116 647 HZ1 LYS 87 1HZ LYS 87 11.639 19.395 -8.442 648 HZ2 LYS 87 2HZ LYS 87 10.818 20.494 -7.555 649 HZ3 LYS 87 3HZ LYS 87 11.551 19.234 -6.819 650 HA PRO 88 HA PRO 88 4.140 16.992 -3.570 651 HB2 PRO 88 1HB PRO 88 4.164 19.718 -3.758 652 HB3 PRO 88 2HB PRO 88 4.821 18.846 -2.387 653 HG2 PRO 88 1HG PRO 88 6.261 20.191 -4.591 654 HG3 PRO 88 2HG PRO 88 6.869 19.696 -3.023 655 HD2 PRO 88 1HD PRO 88 7.311 18.375 -5.530 656 HD3 PRO 88 2HD PRO 88 7.820 17.818 -3.948 657 H GLY 89 H GLY 89 2.551 16.198 -4.810 658 HA2 GLY 89 1HA GLY 89 0.769 16.777 -6.227 659 HA3 GLY 89 2HA GLY 89 1.790 17.937 -7.054 660 H LEU 90 H LEU 90 3.726 15.239 -6.504 661 HA LEU 90 HA LEU 90 3.371 14.396 -9.254 662 HB2 LEU 90 1HB LEU 90 5.573 14.900 -7.795 663 HB3 LEU 90 2HB LEU 90 5.427 13.179 -7.500 664 HG LEU 90 HG LEU 90 5.669 12.644 -9.797 665 HD11 LEU 90 1HD1 LEU 90 4.378 14.053 -11.060 666 HD12 LEU 90 2HD1 LEU 90 4.981 15.520 -10.253 667 HD13 LEU 90 3HD1 LEU 90 6.001 14.675 -11.443 668 HD21 LEU 90 1HD2 LEU 90 7.660 14.812 -9.867 669 HD22 LEU 90 2HD2 LEU 90 7.658 13.852 -8.369 670 HD23 LEU 90 3HD2 LEU 90 7.870 13.046 -9.941 671 H SER 91 H SER 91 3.995 11.771 -9.334 672 HA SER 91 HA SER 91 2.511 10.365 -7.347 673 HB2 SER 91 1HB SER 91 0.626 11.021 -8.704 674 HB3 SER 91 2HB SER 91 1.471 10.643 -10.192 675 HG SER 91 HG SER 91 1.272 8.441 -9.802 676 H GLY 92 H GLY 92 2.416 7.882 -8.088 677 HA2 GLY 92 1HA GLY 92 4.470 7.115 -9.968 678 HA3 GLY 92 2HA GLY 92 4.908 6.861 -8.291 679 H SER 93 H SER 93 4.932 4.521 -9.111 680 HA SER 93 HA SER 93 2.294 3.432 -8.597 681 HB2 SER 93 1HB SER 93 2.561 1.775 -10.417 682 HB3 SER 93 2HB SER 93 2.544 3.410 -11.046 683 HG SER 93 HG SER 93 4.257 2.323 -12.052 684 H LEU 94 H LEU 94 2.374 1.729 -7.140 685 HA LEU 94 HA LEU 94 5.060 0.788 -6.445 686 HB2 LEU 94 1HB LEU 94 2.762 1.638 -4.923 687 HB3 LEU 94 2HB LEU 94 3.196 -0.005 -4.495 688 HG LEU 94 HG LEU 94 5.631 1.411 -4.560 689 HD11 LEU 94 1HD1 LEU 94 5.366 3.356 -3.271 690 HD12 LEU 94 2HD1 LEU 94 4.107 3.459 -4.525 691 HD13 LEU 94 3HD1 LEU 94 3.676 2.969 -2.869 692 HD21 LEU 94 1HD2 LEU 94 4.859 -0.482 -3.074 693 HD22 LEU 94 2HD2 LEU 94 5.788 0.808 -2.273 694 HD23 LEU 94 3HD2 LEU 94 4.019 0.742 -2.091 695 H SER 95 H SER 95 5.632 -1.305 -6.802 696 HA SER 95 HA SER 95 3.551 -2.971 -7.936 697 HB2 SER 95 1HB SER 95 6.588 -3.266 -7.933 698 HB3 SER 95 2HB SER 95 5.488 -4.393 -8.701 699 HG SER 95 HG SER 95 4.695 -2.558 -10.011 700 H LEU 96 H LEU 96 3.754 -5.424 -7.370 701 HA LEU 96 HA LEU 96 3.383 -5.721 -4.629 702 HB2 LEU 96 1HB LEU 96 3.401 -7.394 -7.026 703 HB3 LEU 96 2HB LEU 96 3.936 -8.248 -5.592 704 HG LEU 96 HG LEU 96 1.329 -6.715 -5.786 705 HD11 LEU 96 1HD1 LEU 96 1.523 -9.714 -5.779 706 HD12 LEU 96 2HD1 LEU 96 0.189 -8.661 -6.310 707 HD13 LEU 96 3HD1 LEU 96 1.662 -8.800 -7.300 708 HD21 LEU 96 1HD2 LEU 96 2.246 -8.722 -3.710 709 HD22 LEU 96 2HD2 LEU 96 2.279 -6.954 -3.504 710 HD23 LEU 96 3HD2 LEU 96 0.726 -7.796 -3.721 711 H GLY 97 H GLY 97 4.952 -5.282 -3.155 712 HA2 GLY 97 1HA GLY 97 6.797 -6.402 -2.038 713 HA3 GLY 97 2HA GLY 97 7.574 -6.580 -3.599 714 H ASP 98 H ASP 98 6.621 -3.825 -4.493 715 HA ASP 98 HA ASP 98 8.886 -2.443 -3.852 716 HB2 ASP 98 1HB ASP 98 6.154 -1.673 -4.893 717 HB3 ASP 98 2HB ASP 98 7.275 -0.391 -4.478 718 H VAL 99 H VAL 99 9.240 -0.592 -2.387 719 HA VAL 99 HA VAL 99 7.482 -0.698 -0.055 720 HB VAL 99 HB VAL 99 10.271 0.416 -0.417 721 HG11 VAL 99 1HG1 VAL 99 9.237 1.616 1.360 722 HG12 VAL 99 2HG1 VAL 99 8.491 0.140 2.020 723 HG13 VAL 99 3HG1 VAL 99 10.254 0.369 2.121 724 HG21 VAL 99 1HG2 VAL 99 10.892 -1.569 1.036 725 HG22 VAL 99 2HG2 VAL 99 9.264 -2.211 0.708 726 HG23 VAL 99 3HG2 VAL 99 10.405 -1.951 -0.633 727 H LEU 100 H LEU 100 7.025 1.418 1.064 728 HA LEU 100 HA LEU 100 7.055 3.690 -0.759 729 HB2 LEU 100 1HB LEU 100 4.958 2.762 -1.287 730 HB3 LEU 100 2HB LEU 100 4.596 2.393 0.387 731 HG LEU 100 HG LEU 100 4.305 4.749 0.904 732 HD11 LEU 100 1HD1 LEU 100 4.829 5.384 -2.007 733 HD12 LEU 100 2HD1 LEU 100 4.552 6.519 -0.664 734 HD13 LEU 100 3HD1 LEU 100 6.048 5.557 -0.722 735 HD21 LEU 100 1HD2 LEU 100 2.534 5.084 -1.204 736 HD22 LEU 100 2HD2 LEU 100 2.716 3.318 -1.076 737 HD23 LEU 100 3HD2 LEU 100 2.205 4.265 0.342 738 H TYR 101 H TYR 101 8.725 4.485 0.648 739 HA TYR 101 HA TYR 101 8.469 4.632 3.417 740 HB2 TYR 101 1HB TYR 101 9.822 6.419 1.300 741 HB3 TYR 101 2HB TYR 101 10.204 6.503 3.008 742 HD1 TYR 101 1HD TYR 101 11.218 4.452 4.139 743 HD2 TYR 101 2HD TYR 101 10.859 4.816 -0.109 744 HE1 TYR 101 1HE TYR 101 12.973 2.640 3.828 745 HE2 TYR 101 2HE TYR 101 12.616 3.002 -0.405 746 HH TYR 101 HH TYR 101 13.356 0.916 1.317 747 H LEU 102 H LEU 102 6.569 5.436 4.288 748 HA LEU 102 HA LEU 102 4.897 7.292 3.370 749 HB2 LEU 102 1HB LEU 102 5.429 6.059 5.822 750 HB3 LEU 102 2HB LEU 102 5.404 7.774 6.183 751 HG LEU 102 HG LEU 102 3.165 7.031 4.478 752 HD11 LEU 102 1HD1 LEU 102 2.010 5.838 6.502 753 HD12 LEU 102 2HD1 LEU 102 3.007 4.909 5.355 754 HD13 LEU 102 3HD1 LEU 102 3.678 5.388 6.933 755 HD21 LEU 102 1HD2 LEU 102 1.889 8.139 6.302 756 HD22 LEU 102 2HD2 LEU 102 3.404 8.283 7.226 757 HD23 LEU 102 3HD2 LEU 102 3.230 9.121 5.665 758 H VAL 103 H VAL 103 7.790 8.103 5.422 759 HA VAL 103 HA VAL 103 8.339 10.388 3.821 760 HB VAL 103 HB VAL 103 6.383 11.158 5.146 761 HG11 VAL 103 1HG1 VAL 103 6.626 9.941 7.193 762 HG12 VAL 103 2HG1 VAL 103 8.240 10.632 7.485 763 HG13 VAL 103 3HG1 VAL 103 6.797 11.670 7.581 764 HG21 VAL 103 1HG2 VAL 103 8.748 12.714 6.141 765 HG22 VAL 103 2HG2 VAL 103 8.484 12.565 4.387 766 HG23 VAL 103 3HG2 VAL 103 7.226 13.287 5.418 767 H ASN 104 H ASN 104 10.176 11.724 5.028 768 HA ASN 104 HA ASN 104 12.281 11.589 5.590 769 HB2 ASN 104 1HB ASN 104 10.666 11.013 7.865 770 HB3 ASN 104 2HB ASN 104 11.999 9.879 7.966 771 HD21 ASN 104 1HD2 ASN 104 11.028 13.219 7.937 772 HD22 ASN 104 2HD2 ASN 104 12.509 13.920 8.499 773 H GLY 105 H GLY 105 11.453 9.462 3.774 774 HA2 GLY 105 1HA GLY 105 12.031 7.424 3.003 775 HA3 GLY 105 2HA GLY 105 13.609 7.807 3.662 776 H LEU 106 H LEU 106 10.861 7.627 5.878 777 HA LEU 106 HA LEU 106 11.847 5.005 6.765 778 HB2 LEU 106 1HB LEU 106 11.042 7.443 8.328 779 HB3 LEU 106 2HB LEU 106 10.976 5.844 9.042 780 HG LEU 106 HG LEU 106 13.434 7.246 7.962 781 HD11 LEU 106 1HD1 LEU 106 12.796 6.381 10.793 782 HD12 LEU 106 2HD1 LEU 106 14.188 7.338 10.234 783 HD13 LEU 106 3HD1 LEU 106 12.549 8.027 10.163 784 HD21 LEU 106 1HD2 LEU 106 13.833 5.008 7.424 785 HD22 LEU 106 2HD2 LEU 106 14.616 5.218 9.009 786 HD23 LEU 106 3HD2 LEU 106 13.034 4.409 8.898 787 H TYR 107 H TYR 107 9.858 4.350 8.575 788 HA TYR 107 HA TYR 107 7.932 3.219 8.505 789 HB2 TYR 107 1HB TYR 107 6.771 5.722 7.197 790 HB3 TYR 107 2HB TYR 107 6.098 4.796 8.524 791 HD1 TYR 107 2HD TYR 107 7.976 4.709 10.615 792 HD2 TYR 107 1HD TYR 107 7.367 7.872 7.800 793 HE1 TYR 107 2HE TYR 107 8.953 6.377 12.267 794 HE2 TYR 107 1HE TYR 107 8.346 9.529 9.461 795 HH TYR 107 HH TYR 107 10.195 8.761 11.894 796 HA PRO 108 HA PRO 108 7.935 2.553 3.973 797 HB2 PRO 108 1HB PRO 108 9.251 0.161 3.877 798 HB3 PRO 108 2HB PRO 108 10.042 1.701 3.607 799 HG2 PRO 108 1HG PRO 108 10.158 -0.050 5.986 800 HG3 PRO 108 2HG PRO 108 11.243 1.246 5.523 801 HD2 PRO 108 1HD PRO 108 9.208 1.349 7.542 802 HD3 PRO 108 2HD PRO 108 10.214 2.678 6.998 803 H LEU 109 H LEU 109 6.304 1.581 2.862 804 HA LEU 109 HA LEU 109 4.910 -0.448 4.468 805 HB2 LEU 109 1HB LEU 109 3.866 1.827 2.805 806 HB3 LEU 109 2HB LEU 109 2.881 0.413 3.125 807 HG LEU 109 HG LEU 109 2.312 2.138 4.692 808 HD11 LEU 109 1HD1 LEU 109 2.233 0.856 6.579 809 HD12 LEU 109 2HD1 LEU 109 2.710 -0.385 5.396 810 HD13 LEU 109 3HD1 LEU 109 3.936 0.356 6.453 811 HD21 LEU 109 1HD2 LEU 109 3.819 3.261 6.132 812 HD22 LEU 109 2HD2 LEU 109 5.159 2.169 5.706 813 HD23 LEU 109 3HD2 LEU 109 4.536 3.325 4.505 814 H THR 110 H THR 110 5.590 -2.365 3.604 815 HA THR 110 HA THR 110 6.131 -2.601 0.800 816 HB THR 110 HB THR 110 5.969 -4.584 3.130 817 HG1 THR 110 1HG THR 110 7.671 -2.918 3.127 818 HG21 THR 110 1HG2 THR 110 7.083 -4.896 0.292 819 HG22 THR 110 2HG2 THR 110 7.372 -6.038 1.627 820 HG23 THR 110 3HG2 THR 110 5.726 -5.816 0.986 821 H LEU 111 H LEU 111 4.849 -3.236 -0.838 822 HA LEU 111 HA LEU 111 2.056 -3.580 -0.214 823 HB2 LEU 111 1HB LEU 111 2.460 -2.146 -2.003 824 HB3 LEU 111 2HB LEU 111 3.674 -3.195 -2.709 825 HG LEU 111 HG LEU 111 1.943 -4.796 -3.381 826 HD11 LEU 111 1HD1 LEU 111 -0.459 -3.376 -3.120 827 HD12 LEU 111 2HD1 LEU 111 0.020 -4.866 -2.274 828 HD13 LEU 111 3HD1 LEU 111 0.323 -3.281 -1.524 829 HD21 LEU 111 1HD2 LEU 111 1.510 -1.931 -4.252 830 HD22 LEU 111 2HD2 LEU 111 2.541 -3.167 -5.012 831 HD23 LEU 111 3HD2 LEU 111 0.769 -3.336 -5.056 832 H ARG 112 H ARG 112 0.882 -5.466 -0.308 833 HA ARG 112 HA ARG 112 2.279 -7.780 -1.340 834 HB2 ARG 112 1HB ARG 112 1.044 -7.513 1.438 835 HB3 ARG 112 2HB ARG 112 1.303 -9.080 0.699 836 HG2 ARG 112 1HG ARG 112 3.534 -7.022 1.005 837 HG3 ARG 112 2HG ARG 112 3.185 -8.223 2.233 838 HD2 ARG 112 1HD ARG 112 3.736 -10.051 0.761 839 HD3 ARG 112 2HD ARG 112 3.683 -9.030 -0.662 840 HE ARG 112 HE ARG 112 5.654 -7.880 0.961 841 HH11 ARG 112 2HH2 ARG 112 5.121 -11.032 -0.510 842 HH12 ARG 112 1HH2 ARG 112 6.810 -11.392 -0.653 843 HH21 ARG 112 2HH1 ARG 112 7.881 -8.354 0.772 844 HH22 ARG 112 1HH1 ARG 112 8.390 -9.859 0.081 845 H TRP 113 H TRP 113 0.789 -9.553 -1.965 846 HA TRP 113 HA TRP 113 -1.948 -8.553 -2.344 847 HB2 TRP 113 1HB TRP 113 -0.959 -8.781 -4.455 848 HB3 TRP 113 2HB TRP 113 -0.167 -10.286 -4.034 849 HD1 TRP 113 HD TRP 113 -1.899 -12.501 -3.807 850 HE1 TRP 113 1HE TRP 113 -4.107 -13.145 -5.101 851 HE3 TRP 113 3HE TRP 113 -2.898 -7.813 -5.502 852 HZ2 TRP 113 2HZ TRP 113 -5.982 -11.655 -6.653 853 HZ3 TRP 113 3HZ TRP 113 -4.937 -7.493 -6.900 854 HH2 TRP 113 HH TRP 113 -6.454 -9.320 -7.481 855 H SER 114 H SER 114 -3.682 -9.922 -1.745 856 HA SER 114 HA SER 114 -2.863 -12.048 0.032 857 HB2 SER 114 1HB SER 114 -4.513 -10.218 0.715 858 HB3 SER 114 2HB SER 114 -5.659 -10.919 -0.410 859 HG SER 114 HG SER 114 -5.817 -11.650 1.890 860 H GLY 115 H GLY 115 -3.632 -14.230 -0.190 861 HA2 GLY 115 1HA GLY 115 -5.504 -15.338 -1.713 862 HA3 GLY 115 2HA GLY 115 -4.305 -14.949 -2.931 863 HA PRO 116 HA PRO 116 -3.158 -18.942 -1.025 864 HB2 PRO 116 1HB PRO 116 -3.382 -20.533 -3.235 865 HB3 PRO 116 2HB PRO 116 -4.655 -20.364 -2.043 866 HG2 PRO 116 1HG PRO 116 -4.491 -19.204 -4.758 867 HG3 PRO 116 2HG PRO 116 -5.899 -19.404 -3.733 868 HD2 PRO 116 1HD PRO 116 -4.464 -16.969 -4.221 869 HD3 PRO 116 2HD PRO 116 -5.799 -17.194 -3.108 870 H SER 117 H SER 117 -1.180 -17.701 -0.780 871 HA SER 117 HA SER 117 0.566 -18.161 -3.055 872 HB2 SER 117 1HB SER 117 0.762 -16.283 -0.666 873 HB3 SER 117 2HB SER 117 2.087 -16.524 -1.787 874 HG SER 117 HG SER 117 -0.568 -15.614 -2.512 875 H SER 118 H SER 118 0.526 -18.319 0.582 876 HA SER 118 HA SER 118 1.565 -19.589 2.002 877 HB2 SER 118 1HB SER 118 0.416 -21.476 1.096 878 HB3 SER 118 2HB SER 118 1.412 -21.506 -0.345 879 HG SER 118 HG SER 118 2.912 -22.666 0.673 880 H GLY 119 H GLY 119 3.491 -18.488 2.442 881 HA2 GLY 119 1HA GLY 119 5.921 -19.479 2.186 882 HA3 GLY 119 2HA GLY 119 5.735 -18.773 0.593 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -32.031 5.713 4.631 2 HA2 GLY 1 1HA GLY 1 -32.029 4.713 2.142 3 HA3 GLY 1 2HA GLY 1 -30.594 4.785 3.144 4 H SER 2 H SER 2 -32.022 2.749 1.119 5 HA SER 2 HA SER 2 -30.965 0.478 2.476 6 HB2 SER 2 1HB SER 2 -33.916 0.896 2.170 7 HB3 SER 2 2HB SER 2 -33.318 -0.706 1.789 8 HG SER 2 HG SER 2 -32.251 -0.695 3.929 9 H SER 3 H SER 3 -30.009 -0.844 0.945 10 HA SER 3 HA SER 3 -29.427 -1.668 -0.977 11 HB2 SER 3 1HB SER 3 -31.955 -2.212 -1.058 12 HB3 SER 3 2HB SER 3 -32.113 -0.853 -2.153 13 HG SER 3 HG SER 3 -30.219 -2.981 -2.628 14 H GLY 4 H GLY 4 -28.378 -0.994 -2.946 15 HA2 GLY 4 1HA GLY 4 -27.934 1.816 -3.143 16 HA3 GLY 4 2HA GLY 4 -27.275 0.554 -4.165 17 H SER 5 H SER 5 -27.867 0.681 -6.280 18 HA SER 5 HA SER 5 -30.594 1.065 -6.938 19 HB2 SER 5 1HB SER 5 -30.240 3.394 -6.762 20 HB3 SER 5 2HB SER 5 -28.596 3.295 -7.359 21 HG SER 5 HG SER 5 -30.733 2.509 -9.095 22 H SER 6 H SER 6 -27.236 1.499 -8.288 23 HA SER 6 HA SER 6 -27.752 -0.740 -10.022 24 HB2 SER 6 1HB SER 6 -26.824 0.617 -12.002 25 HB3 SER 6 2HB SER 6 -28.473 0.959 -11.520 26 HG SER 6 HG SER 6 -26.791 2.556 -10.071 27 H GLY 7 H GLY 7 -25.684 -1.521 -11.074 28 HA2 GLY 7 1HA GLY 7 -23.406 -1.720 -11.200 29 HA3 GLY 7 2HA GLY 7 -23.207 -0.388 -10.078 30 H MET 8 H MET 8 -24.349 -3.825 -10.243 31 HA MET 8 HA MET 8 -22.964 -4.261 -7.744 32 HB2 MET 8 1HB MET 8 -25.767 -3.924 -7.855 33 HB3 MET 8 2HB MET 8 -25.577 -5.666 -7.873 34 HG2 MET 8 1HG MET 8 -24.656 -5.737 -5.732 35 HG3 MET 8 2HG MET 8 -23.904 -4.161 -5.880 36 HE1 MET 8 1HE MET 8 -26.009 -6.176 -4.324 37 HE2 MET 8 2HE MET 8 -26.239 -4.950 -3.055 38 HE3 MET 8 3HE MET 8 -27.621 -5.476 -4.045 39 H SER 9 H SER 9 -22.126 -6.379 -7.526 40 HA SER 9 HA SER 9 -23.032 -8.526 -9.016 41 HB2 SER 9 1HB SER 9 -21.186 -8.783 -10.654 42 HB3 SER 9 2HB SER 9 -22.133 -7.344 -10.972 43 HG SER 9 HG SER 9 -20.310 -6.383 -9.406 44 H GLN 10 H GLN 10 -22.053 -10.444 -8.232 45 HA GLN 10 HA GLN 10 -19.754 -9.993 -6.494 46 HB2 GLN 10 1HB GLN 10 -22.029 -10.370 -5.315 47 HB3 GLN 10 2HB GLN 10 -21.945 -12.018 -5.905 48 HG2 GLN 10 1HG GLN 10 -20.626 -12.549 -4.141 49 HG3 GLN 10 2HG GLN 10 -19.383 -11.493 -4.784 50 HE21 GLN 10 1HE2 GLN 10 -19.074 -9.467 -3.969 51 HE22 GLN 10 2HE2 GLN 10 -19.819 -8.875 -2.522 52 H LEU 11 H LEU 11 -18.119 -10.834 -7.775 53 HA LEU 11 HA LEU 11 -18.595 -13.209 -9.317 54 HB2 LEU 11 1HB LEU 11 -16.281 -11.340 -8.912 55 HB3 LEU 11 2HB LEU 11 -16.058 -12.878 -9.721 56 HG LEU 11 HG LEU 11 -18.329 -11.481 -10.851 57 HD11 LEU 11 1HD1 LEU 11 -17.572 -9.425 -11.402 58 HD12 LEU 11 2HD1 LEU 11 -16.625 -9.621 -9.907 59 HD13 LEU 11 3HD1 LEU 11 -15.872 -9.947 -11.487 60 HD21 LEU 11 1HD2 LEU 11 -15.700 -12.069 -12.205 61 HD22 LEU 11 2HD2 LEU 11 -16.858 -13.357 -11.794 62 HD23 LEU 11 3HD2 LEU 11 -17.340 -12.044 -12.896 63 H GLY 12 H GLY 12 -16.183 -12.341 -6.734 64 HA2 GLY 12 1HA GLY 12 -16.730 -14.765 -5.295 65 HA3 GLY 12 2HA GLY 12 -15.227 -14.838 -6.193 66 H SER 13 H SER 13 -13.799 -14.781 -4.422 67 HA SER 13 HA SER 13 -14.069 -12.472 -2.683 68 HB2 SER 13 1HB SER 13 -13.911 -14.506 -1.427 69 HB3 SER 13 2HB SER 13 -12.607 -15.121 -2.423 70 HG SER 13 HG SER 13 -12.134 -14.105 -0.186 71 H ARG 14 H ARG 14 -11.859 -14.191 -4.936 72 HA ARG 14 HA ARG 14 -9.974 -13.651 -5.854 73 HB2 ARG 14 1HB ARG 14 -11.392 -10.975 -5.717 74 HB3 ARG 14 2HB ARG 14 -9.757 -11.028 -6.345 75 HG2 ARG 14 1HG ARG 14 -10.446 -11.926 -8.318 76 HG3 ARG 14 2HG ARG 14 -11.356 -13.185 -7.506 77 HD2 ARG 14 1HD ARG 14 -13.347 -12.022 -7.631 78 HD3 ARG 14 2HD ARG 14 -12.585 -10.472 -7.331 79 HE ARG 14 HE ARG 14 -12.529 -10.141 -9.634 80 HH11 ARG 14 2HH2 ARG 14 -12.532 -13.605 -9.015 81 HH12 ARG 14 1HH2 ARG 14 -12.572 -14.034 -10.692 82 HH21 ARG 14 2HH1 ARG 14 -12.583 -10.706 -11.847 83 HH22 ARG 14 1HH1 ARG 14 -12.601 -12.374 -12.314 84 H GLY 15 H GLY 15 -7.953 -11.893 -5.700 85 HA2 GLY 15 1HA GLY 15 -6.970 -12.196 -3.024 86 HA3 GLY 15 2HA GLY 15 -6.147 -11.480 -4.395 87 H ARG 16 H ARG 16 -5.814 -10.247 -1.966 88 HA ARG 16 HA ARG 16 -7.273 -7.799 -2.439 89 HB2 ARG 16 1HB ARG 16 -6.877 -8.830 0.402 90 HB3 ARG 16 2HB ARG 16 -7.901 -7.510 -0.125 91 HG2 ARG 16 1HG ARG 16 -8.375 -10.351 -1.104 92 HG3 ARG 16 2HG ARG 16 -9.031 -9.801 0.425 93 HD2 ARG 16 1HD ARG 16 -9.680 -7.736 -1.405 94 HD3 ARG 16 2HD ARG 16 -9.953 -9.218 -2.301 95 HE ARG 16 HE ARG 16 -11.062 -9.290 0.412 96 HH11 ARG 16 2HH2 ARG 16 -11.672 -8.365 -2.928 97 HH12 ARG 16 1HH2 ARG 16 -13.395 -8.426 -2.764 98 HH21 ARG 16 2HH1 ARG 16 -13.335 -9.370 0.629 99 HH22 ARG 16 1HH1 ARG 16 -14.347 -9.001 -0.728 100 H LEU 17 H LEU 17 -5.898 -6.019 -2.333 101 HA LEU 17 HA LEU 17 -3.138 -6.549 -1.735 102 HB2 LEU 17 1HB LEU 17 -4.609 -4.097 -2.702 103 HB3 LEU 17 2HB LEU 17 -2.878 -4.158 -2.438 104 HG LEU 17 HG LEU 17 -3.954 -6.289 -4.191 105 HD11 LEU 17 1HD1 LEU 17 -3.870 -3.431 -5.191 106 HD12 LEU 17 2HD1 LEU 17 -4.272 -4.892 -6.125 107 HD13 LEU 17 3HD1 LEU 17 -5.356 -4.340 -4.826 108 HD21 LEU 17 1HD2 LEU 17 -1.558 -4.451 -4.187 109 HD22 LEU 17 2HD2 LEU 17 -1.614 -6.214 -3.949 110 HD23 LEU 17 3HD2 LEU 17 -1.945 -5.522 -5.555 111 H TRP 18 H TRP 18 -1.875 -5.505 -0.106 112 HA TRP 18 HA TRP 18 -3.091 -3.773 1.782 113 HB2 TRP 18 1HB TRP 18 -2.832 -5.351 3.728 114 HB3 TRP 18 2HB TRP 18 -4.221 -5.602 2.689 115 HD1 TRP 18 HD TRP 18 -4.313 -7.932 1.327 116 HE1 TRP 18 1HE TRP 18 -2.996 -10.217 1.417 117 HE3 TRP 18 3HE TRP 18 -0.465 -6.207 4.168 118 HZ2 TRP 18 2HZ TRP 18 -0.548 -11.028 2.639 119 HZ3 TRP 18 3HZ TRP 18 1.347 -7.811 4.765 120 HH2 TRP 18 HH TRP 18 1.348 -10.147 4.048 121 H LEU 19 H LEU 19 -1.447 -3.102 3.418 122 HA LEU 19 HA LEU 19 1.219 -3.452 2.299 123 HB2 LEU 19 1HB LEU 19 0.249 -1.515 4.402 124 HB3 LEU 19 2HB LEU 19 1.806 -1.503 3.597 125 HG LEU 19 HG LEU 19 0.753 0.129 2.411 126 HD11 LEU 19 1HD1 LEU 19 1.296 -1.973 0.956 127 HD12 LEU 19 2HD1 LEU 19 -0.471 -2.061 0.765 128 HD13 LEU 19 3HD1 LEU 19 0.408 -0.601 0.251 129 HD21 LEU 19 1HD2 LEU 19 -1.926 -1.141 2.136 130 HD22 LEU 19 2HD2 LEU 19 -1.463 -0.535 3.744 131 HD23 LEU 19 3HD2 LEU 19 -1.474 0.568 2.346 132 H GLN 20 H GLN 20 3.002 -4.191 3.527 133 HA GLN 20 HA GLN 20 2.154 -5.663 5.895 134 HB2 GLN 20 1HB GLN 20 3.127 -6.876 3.815 135 HB3 GLN 20 2HB GLN 20 4.673 -6.194 4.277 136 HG2 GLN 20 1HG GLN 20 4.571 -7.295 6.473 137 HG3 GLN 20 2HG GLN 20 2.937 -7.850 6.166 138 HE21 GLN 20 1HE2 GLN 20 2.758 -9.862 5.580 139 HE22 GLN 20 2HE2 GLN 20 3.911 -10.816 4.708 140 H SER 21 H SER 21 2.453 -4.093 7.514 141 HA SER 21 HA SER 21 4.690 -2.415 7.538 142 HB2 SER 21 1HB SER 21 3.586 -2.806 10.194 143 HB3 SER 21 2HB SER 21 3.494 -1.393 9.161 144 HG SER 21 HG SER 21 1.374 -2.065 9.475 145 HA PRO 22 HA PRO 22 7.596 -5.032 9.450 146 HB2 PRO 22 1HB PRO 22 9.325 -3.214 10.531 147 HB3 PRO 22 2HB PRO 22 9.345 -3.666 8.838 148 HG2 PRO 22 1HG PRO 22 8.335 -1.181 10.081 149 HG3 PRO 22 2HG PRO 22 8.754 -1.479 8.405 150 HD2 PRO 22 1HD PRO 22 6.113 -1.343 9.516 151 HD3 PRO 22 2HD PRO 22 6.536 -1.755 7.866 152 H THR 23 H THR 23 8.530 -5.875 11.439 153 HA THR 23 HA THR 23 6.716 -6.200 13.402 154 HB THR 23 HB THR 23 9.760 -6.126 13.375 155 HG1 THR 23 1HG THR 23 8.638 -7.881 12.328 156 HG21 THR 23 1HG2 THR 23 9.458 -5.823 15.710 157 HG22 THR 23 2HG2 THR 23 7.868 -6.623 15.700 158 HG23 THR 23 3HG2 THR 23 9.354 -7.592 15.550 159 H GLY 24 H GLY 24 6.369 -5.359 15.548 160 HA2 GLY 24 1HA GLY 24 5.977 -3.693 17.003 161 HA3 GLY 24 2HA GLY 24 7.482 -2.966 16.478 162 H GLY 25 H GLY 25 4.269 -3.598 14.883 163 HA2 GLY 25 1HA GLY 25 3.824 -0.740 14.598 164 HA3 GLY 25 2HA GLY 25 4.127 -1.609 13.107 165 HA PRO 26 HA PRO 26 -0.304 -2.046 14.109 166 HB2 PRO 26 1HB PRO 26 -1.341 -0.820 11.898 167 HB3 PRO 26 2HB PRO 26 -1.103 0.003 13.427 168 HG2 PRO 26 1HG PRO 26 0.482 0.215 10.940 169 HG3 PRO 26 2HG PRO 26 0.433 1.310 12.307 170 HD2 PRO 26 1HD PRO 26 2.500 -0.583 11.699 171 HD3 PRO 26 2HD PRO 26 2.392 0.429 13.125 172 HA PRO 27 HA PRO 27 -1.039 -5.383 11.587 173 HB2 PRO 27 1HB PRO 27 -3.743 -5.450 11.197 174 HB3 PRO 27 2HB PRO 27 -2.974 -6.003 12.671 175 HG2 PRO 27 1HG PRO 27 -4.489 -3.510 12.194 176 HG3 PRO 27 2HG PRO 27 -4.087 -4.276 13.718 177 HD2 PRO 27 1HD PRO 27 -2.825 -1.969 12.572 178 HD3 PRO 27 2HD PRO 27 -2.349 -2.805 14.037 179 HA PRO 28 HA PRO 28 -1.290 -4.568 7.427 180 HB2 PRO 28 1HB PRO 28 -2.398 -6.792 6.289 181 HB3 PRO 28 2HB PRO 28 -0.721 -6.706 6.791 182 HG2 PRO 28 1HG PRO 28 -2.976 -8.101 8.097 183 HG3 PRO 28 2HG PRO 28 -1.256 -8.342 8.326 184 HD2 PRO 28 1HD PRO 28 -3.043 -6.949 10.085 185 HD3 PRO 28 2HD PRO 28 -1.305 -7.091 10.255 186 H ILE 29 H ILE 29 -2.385 -2.954 6.523 187 HA ILE 29 HA ILE 29 -5.252 -3.015 6.895 188 HB ILE 29 HB ILE 29 -3.332 -0.967 5.794 189 HG12 ILE 29 1HG1 ILE 29 -4.788 0.006 8.001 190 HG13 ILE 29 2HG1 ILE 29 -4.315 -1.623 8.440 191 HG21 ILE 29 1HG2 ILE 29 -5.862 0.196 6.329 192 HG22 ILE 29 2HG2 ILE 29 -5.007 0.063 4.774 193 HG23 ILE 29 3HG2 ILE 29 -6.137 -1.215 5.281 194 HD11 ILE 29 1HD1 ILE 29 -1.986 -0.715 7.282 195 HD12 ILE 29 2HD1 ILE 29 -2.628 0.783 7.998 196 HD13 ILE 29 3HD1 ILE 29 -2.334 -0.641 9.026 197 H PHE 30 H PHE 30 -6.795 -3.223 5.262 198 HA PHE 30 HA PHE 30 -5.700 -4.265 2.756 199 HB2 PHE 30 1HB PHE 30 -8.358 -4.488 4.279 200 HB3 PHE 30 2HB PHE 30 -8.196 -5.082 2.639 201 HD1 PHE 30 1HD PHE 30 -6.700 -5.444 6.028 202 HD2 PHE 30 2HD PHE 30 -7.441 -7.252 2.261 203 HE1 PHE 30 1HE PHE 30 -5.830 -7.629 6.905 204 HE2 PHE 30 2HE PHE 30 -6.571 -9.437 3.138 205 HZ PHE 30 HZ PHE 30 -5.776 -9.600 5.450 206 H LEU 31 H LEU 31 -5.536 -2.681 1.223 207 HA LEU 31 HA LEU 31 -7.095 -0.350 1.265 208 HB2 LEU 31 1HB LEU 31 -5.853 -1.309 -1.262 209 HB3 LEU 31 2HB LEU 31 -5.885 0.295 -0.557 210 HG LEU 31 HG LEU 31 -4.068 -2.016 0.097 211 HD11 LEU 31 1HD1 LEU 31 -3.821 0.228 -1.536 212 HD12 LEU 31 2HD1 LEU 31 -2.899 0.637 -0.069 213 HD13 LEU 31 3HD1 LEU 31 -2.514 -0.845 -0.978 214 HD21 LEU 31 1HD2 LEU 31 -5.169 -0.188 2.014 215 HD22 LEU 31 2HD2 LEU 31 -3.984 -1.495 2.250 216 HD23 LEU 31 3HD2 LEU 31 -3.431 0.140 1.815 217 HA PRO 32 HA PRO 32 -10.652 -1.513 -0.885 218 HB2 PRO 32 1HB PRO 32 -11.245 0.669 -2.420 219 HB3 PRO 32 2HB PRO 32 -11.585 0.584 -0.703 220 HG2 PRO 32 1HG PRO 32 -9.445 2.072 -2.097 221 HG3 PRO 32 2HG PRO 32 -10.061 2.300 -0.473 222 HD2 PRO 32 1HD PRO 32 -7.603 1.019 -1.211 223 HD3 PRO 32 2HD PRO 32 -8.276 1.145 0.402 224 H SER 33 H SER 33 -11.651 -2.390 -2.750 225 HA SER 33 HA SER 33 -9.608 -2.807 -4.771 226 HB2 SER 33 1HB SER 33 -12.217 -4.339 -4.424 227 HB3 SER 33 2HB SER 33 -10.834 -4.811 -5.392 228 HG SER 33 HG SER 33 -11.313 -5.400 -2.810 229 H ASP 34 H ASP 34 -12.781 -1.397 -4.125 230 HA ASP 34 HA ASP 34 -13.940 -1.368 -6.549 231 HB2 ASP 34 1HB ASP 34 -15.016 -0.398 -4.592 232 HB3 ASP 34 2HB ASP 34 -13.762 0.816 -4.431 233 H GLY 35 H GLY 35 -11.215 0.609 -5.288 234 HA2 GLY 35 1HA GLY 35 -9.619 1.159 -7.154 235 HA3 GLY 35 2HA GLY 35 -10.986 1.949 -7.913 236 H GLN 36 H GLN 36 -11.682 2.404 -4.731 237 HA GLN 36 HA GLN 36 -11.206 5.073 -4.736 238 HB2 GLN 36 1HB GLN 36 -11.790 3.017 -2.645 239 HB3 GLN 36 2HB GLN 36 -11.177 4.550 -2.056 240 HG2 GLN 36 1HG GLN 36 -12.964 5.750 -3.346 241 HG3 GLN 36 2HG GLN 36 -13.583 4.211 -3.910 242 HE21 GLN 36 1HE2 GLN 36 -14.317 2.655 -2.329 243 HE22 GLN 36 2HE2 GLN 36 -15.031 3.188 -0.844 244 H ALA 37 H ALA 37 -9.815 6.067 -2.657 245 HA ALA 37 HA ALA 37 -7.121 4.926 -2.884 246 HB1 ALA 37 1HB ALA 37 -7.632 6.988 -4.378 247 HB2 ALA 37 2HB ALA 37 -7.653 7.906 -2.853 248 HB3 ALA 37 3HB ALA 37 -6.180 7.037 -3.349 249 H LEU 38 H LEU 38 -6.275 4.483 -0.912 250 HA LEU 38 HA LEU 38 -7.649 5.602 1.396 251 HB2 LEU 38 1HB LEU 38 -6.954 3.086 0.865 252 HB3 LEU 38 2HB LEU 38 -5.461 3.597 1.625 253 HG LEU 38 HG LEU 38 -6.576 4.123 3.680 254 HD11 LEU 38 1HD1 LEU 38 -9.114 3.579 3.820 255 HD12 LEU 38 2HD1 LEU 38 -8.587 5.144 3.155 256 HD13 LEU 38 3HD1 LEU 38 -9.090 3.835 2.059 257 HD21 LEU 38 1HD2 LEU 38 -7.493 1.466 2.551 258 HD22 LEU 38 2HD2 LEU 38 -5.996 1.807 3.451 259 HD23 LEU 38 3HD2 LEU 38 -7.572 1.914 4.272 260 H VAL 39 H VAL 39 -6.937 7.582 2.007 261 HA VAL 39 HA VAL 39 -4.300 8.451 1.426 262 HB VAL 39 HB VAL 39 -6.741 9.499 2.747 263 HG11 VAL 39 1HG1 VAL 39 -5.111 11.582 3.274 264 HG12 VAL 39 2HG1 VAL 39 -5.526 10.337 4.476 265 HG13 VAL 39 3HG1 VAL 39 -3.986 10.240 3.590 266 HG21 VAL 39 1HG2 VAL 39 -5.372 11.471 1.259 267 HG22 VAL 39 2HG2 VAL 39 -5.185 9.949 0.356 268 HG23 VAL 39 3HG2 VAL 39 -6.810 10.541 0.776 269 H LEU 40 H LEU 40 -2.460 8.010 2.519 270 HA LEU 40 HA LEU 40 -2.749 6.818 5.165 271 HB2 LEU 40 1HB LEU 40 -1.116 6.314 2.901 272 HB3 LEU 40 2HB LEU 40 -0.058 6.851 4.191 273 HG LEU 40 HG LEU 40 -1.079 5.101 5.677 274 HD11 LEU 40 1HD1 LEU 40 -2.478 4.349 3.108 275 HD12 LEU 40 2HD1 LEU 40 -2.231 3.201 4.445 276 HD13 LEU 40 3HD1 LEU 40 -3.187 4.679 4.707 277 HD21 LEU 40 1HD2 LEU 40 -0.034 3.467 3.483 278 HD22 LEU 40 2HD2 LEU 40 0.952 4.908 3.828 279 HD23 LEU 40 3HD2 LEU 40 0.601 3.738 5.123 280 H GLY 41 H GLY 41 -0.741 7.426 6.667 281 HA2 GLY 41 1HA GLY 41 0.753 9.504 6.870 282 HA3 GLY 41 2HA GLY 41 -0.771 10.368 6.815 283 H ARG 42 H ARG 42 -0.019 11.121 9.025 284 HA ARG 42 HA ARG 42 0.423 9.551 11.141 285 HB2 ARG 42 1HB ARG 42 -0.471 12.281 10.677 286 HB3 ARG 42 2HB ARG 42 -1.320 11.640 12.070 287 HG2 ARG 42 1HG ARG 42 0.870 10.943 13.075 288 HG3 ARG 42 2HG ARG 42 1.712 11.603 11.687 289 HD2 ARG 42 1HD ARG 42 1.776 13.269 13.467 290 HD3 ARG 42 2HD ARG 42 0.719 13.871 12.205 291 HE ARG 42 HE ARG 42 -0.817 12.368 14.129 292 HH11 ARG 42 2HH2 ARG 42 0.826 15.452 13.718 293 HH12 ARG 42 1HH2 ARG 42 -0.187 16.287 14.848 294 HH21 ARG 42 2HH1 ARG 42 -2.154 13.469 15.619 295 HH22 ARG 42 1HH1 ARG 42 -1.893 15.152 15.937 296 H GLY 43 H GLY 43 -0.912 8.637 12.874 297 HA2 GLY 43 1HA GLY 43 -3.324 8.500 13.602 298 HA3 GLY 43 2HA GLY 43 -3.643 7.975 11.961 299 HA PRO 44 HA PRO 44 -2.504 4.335 14.530 300 HB2 PRO 44 1HB PRO 44 -4.931 3.084 14.657 301 HB3 PRO 44 2HB PRO 44 -4.318 4.119 15.932 302 HG2 PRO 44 1HG PRO 44 -6.414 4.691 13.927 303 HG3 PRO 44 2HG PRO 44 -6.087 5.514 15.440 304 HD2 PRO 44 1HD PRO 44 -5.412 6.430 12.807 305 HD3 PRO 44 2HD PRO 44 -4.984 7.195 14.324 306 H LEU 45 H LEU 45 -3.732 5.044 11.528 307 HA LEU 45 HA LEU 45 -4.072 2.509 10.453 308 HB2 LEU 45 1HB LEU 45 -3.337 5.190 9.321 309 HB3 LEU 45 2HB LEU 45 -3.381 3.770 8.295 310 HG LEU 45 HG LEU 45 -5.796 3.470 9.323 311 HD11 LEU 45 1HD1 LEU 45 -5.379 6.459 9.609 312 HD12 LEU 45 2HD1 LEU 45 -6.914 5.578 9.801 313 HD13 LEU 45 3HD1 LEU 45 -5.580 5.301 10.946 314 HD21 LEU 45 1HD2 LEU 45 -5.227 5.571 7.215 315 HD22 LEU 45 2HD2 LEU 45 -5.215 3.813 6.941 316 HD23 LEU 45 3HD2 LEU 45 -6.724 4.629 7.418 317 H THR 46 H THR 46 -1.134 4.650 10.304 318 HA THR 46 HA THR 46 0.438 2.200 9.872 319 HB THR 46 HB THR 46 2.083 3.802 8.843 320 HG1 THR 46 1HG THR 46 1.663 5.812 9.725 321 HG21 THR 46 1HG2 THR 46 0.251 4.873 7.137 322 HG22 THR 46 2HG2 THR 46 0.748 3.167 7.039 323 HG23 THR 46 3HG2 THR 46 -0.760 3.607 7.875 324 H GLN 47 H GLN 47 -0.560 4.225 12.319 325 HA GLN 47 HA GLN 47 0.125 4.534 14.356 326 HB2 GLN 47 1HB GLN 47 2.090 2.352 13.593 327 HB3 GLN 47 2HB GLN 47 2.160 3.102 15.175 328 HG2 GLN 47 1HG GLN 47 -0.594 2.349 14.426 329 HG3 GLN 47 2HG GLN 47 0.490 0.972 14.424 330 HE21 GLN 47 1HE2 GLN 47 -1.688 1.549 16.212 331 HE22 GLN 47 2HE2 GLN 47 -1.057 1.633 17.823 332 H VAL 48 H VAL 48 1.136 6.160 12.084 333 HA VAL 48 HA VAL 48 3.818 6.876 12.937 334 HB VAL 48 HB VAL 48 2.034 7.549 10.616 335 HG11 VAL 48 1HG1 VAL 48 4.059 9.286 11.815 336 HG12 VAL 48 2HG1 VAL 48 4.417 8.888 10.117 337 HG13 VAL 48 3HG1 VAL 48 2.858 9.631 10.547 338 HG21 VAL 48 1HG2 VAL 48 3.628 6.470 9.306 339 HG22 VAL 48 2HG2 VAL 48 4.922 6.699 10.507 340 HG23 VAL 48 3HG2 VAL 48 3.638 5.501 10.799 341 H THR 49 H THR 49 4.323 8.680 14.130 342 HA THR 49 HA THR 49 2.058 10.442 14.805 343 HB THR 49 HB THR 49 3.207 10.615 17.062 344 HG1 THR 49 1HG THR 49 5.324 9.951 16.567 345 HG21 THR 49 1HG2 THR 49 1.431 8.932 16.959 346 HG22 THR 49 2HG2 THR 49 2.490 7.807 16.075 347 HG23 THR 49 3HG2 THR 49 2.825 8.190 17.781 348 H ASP 50 H ASP 50 5.495 10.107 13.948 349 HA ASP 50 HA ASP 50 6.541 12.455 14.456 350 HB2 ASP 50 1HB ASP 50 7.499 10.578 13.018 351 HB3 ASP 50 2HB ASP 50 6.597 11.224 11.662 352 H ARG 51 H ARG 51 5.992 14.612 14.069 353 HA ARG 51 HA ARG 51 3.665 15.275 12.794 354 HB2 ARG 51 1HB ARG 51 4.587 17.647 12.879 355 HB3 ARG 51 2HB ARG 51 4.670 16.792 14.406 356 HG2 ARG 51 1HG ARG 51 7.030 16.357 14.158 357 HG3 ARG 51 2HG ARG 51 7.013 16.797 12.462 358 HD2 ARG 51 1HD ARG 51 7.871 18.765 13.373 359 HD3 ARG 51 2HD ARG 51 6.162 19.154 13.387 360 HE ARG 51 HE ARG 51 6.789 17.815 15.835 361 HH11 ARG 51 2HH2 ARG 51 7.424 20.868 14.203 362 HH12 ARG 51 1HH2 ARG 51 7.627 21.758 15.675 363 HH21 ARG 51 2HH1 ARG 51 7.057 18.990 17.776 364 HH22 ARG 51 1HH1 ARG 51 7.418 20.683 17.721 365 H LYS 52 H LYS 52 6.851 14.585 11.517 366 HA LYS 52 HA LYS 52 6.798 16.141 9.201 367 HB2 LYS 52 1HB LYS 52 8.195 13.563 9.937 368 HB3 LYS 52 2HB LYS 52 8.415 14.330 8.377 369 HG2 LYS 52 1HG LYS 52 8.751 15.938 10.931 370 HG3 LYS 52 2HG LYS 52 10.060 14.930 10.346 371 HD2 LYS 52 1HD LYS 52 10.142 16.136 8.222 372 HD3 LYS 52 2HD LYS 52 8.673 17.014 8.600 373 HE2 LYS 52 1HE LYS 52 9.819 18.117 10.528 374 HE3 LYS 52 2HE LYS 52 11.286 17.227 10.174 375 HZ1 LYS 52 1HZ LYS 52 9.986 19.236 8.479 376 HZ2 LYS 52 2HZ LYS 52 11.469 19.311 9.158 377 HZ3 LYS 52 3HZ LYS 52 11.184 18.268 7.934 378 H CYS 53 H CYS 53 4.806 13.522 10.210 379 HA CYS 53 HA CYS 53 4.209 12.775 7.465 380 HB2 CYS 53 1HB CYS 53 4.226 11.364 9.943 381 HB3 CYS 53 2HB CYS 53 2.567 11.396 9.379 382 HG CYS 53 HG CYS 53 2.795 10.188 7.259 383 H SER 54 H SER 54 2.150 13.201 6.527 384 HA SER 54 HA SER 54 0.495 14.986 8.135 385 HB2 SER 54 1HB SER 54 1.490 15.145 5.344 386 HB3 SER 54 2HB SER 54 -0.223 15.481 5.500 387 HG SER 54 HG SER 54 1.877 16.767 7.031 388 H ARG 55 H ARG 55 -1.753 14.573 8.214 389 HA ARG 55 HA ARG 55 -2.667 12.115 8.148 390 HB2 ARG 55 1HB ARG 55 -3.818 14.711 8.258 391 HB3 ARG 55 2HB ARG 55 -4.741 13.869 7.029 392 HG2 ARG 55 1HG ARG 55 -4.542 11.924 9.001 393 HG3 ARG 55 2HG ARG 55 -4.619 13.388 9.960 394 HD2 ARG 55 1HD ARG 55 -6.727 14.052 8.951 395 HD3 ARG 55 2HD ARG 55 -6.593 12.829 7.703 396 HE ARG 55 HE ARG 55 -6.546 11.649 10.362 397 HH11 ARG 55 2HH2 ARG 55 -8.683 12.937 7.881 398 HH12 ARG 55 1HH2 ARG 55 -10.055 12.019 8.405 399 HH21 ARG 55 2HH1 ARG 55 -8.356 10.437 11.054 400 HH22 ARG 55 1HH1 ARG 55 -9.867 10.587 10.222 401 H ASN 56 H ASN 56 -2.435 14.327 5.314 402 HA ASN 56 HA ASN 56 -3.210 12.059 3.652 403 HB2 ASN 56 1HB ASN 56 -3.387 15.053 3.018 404 HB3 ASN 56 2HB ASN 56 -3.884 13.766 1.939 405 HD21 ASN 56 1HD2 ASN 56 -5.900 15.034 2.056 406 HD22 ASN 56 2HD2 ASN 56 -7.059 14.659 3.288 407 H GLN 57 H GLN 57 -0.651 11.831 4.323 408 HA GLN 57 HA GLN 57 1.155 13.536 3.087 409 HB2 GLN 57 1HB GLN 57 1.945 12.145 4.861 410 HB3 GLN 57 2HB GLN 57 1.331 10.684 4.112 411 HG2 GLN 57 1HG GLN 57 3.720 10.701 3.751 412 HG3 GLN 57 2HG GLN 57 2.973 11.046 2.204 413 HE21 GLN 57 1HE2 GLN 57 4.750 12.092 1.398 414 HE22 GLN 57 2HE2 GLN 57 5.261 13.666 1.910 415 H VAL 58 H VAL 58 -0.180 10.313 2.080 416 HA VAL 58 HA VAL 58 0.309 11.095 -0.682 417 HB VAL 58 HB VAL 58 1.170 8.728 -1.068 418 HG11 VAL 58 1HG1 VAL 58 3.525 9.438 -0.142 419 HG12 VAL 58 2HG1 VAL 58 2.753 10.373 -1.445 420 HG13 VAL 58 3HG1 VAL 58 2.695 10.968 0.231 421 HG21 VAL 58 1HG2 VAL 58 1.623 8.914 1.929 422 HG22 VAL 58 2HG2 VAL 58 0.602 7.735 1.071 423 HG23 VAL 58 3HG2 VAL 58 2.368 7.704 0.856 424 H GLU 59 H GLU 59 -0.876 9.558 -2.210 425 HA GLU 59 HA GLU 59 -3.272 8.622 -0.834 426 HB2 GLU 59 1HB GLU 59 -3.600 10.620 -2.326 427 HB3 GLU 59 2HB GLU 59 -3.042 9.670 -3.689 428 HG2 GLU 59 1HG GLU 59 -5.023 8.533 -3.872 429 HG3 GLU 59 2HG GLU 59 -5.174 8.318 -2.140 430 H LEU 60 H LEU 60 -3.168 6.417 -0.677 431 HA LEU 60 HA LEU 60 -1.820 4.950 -2.790 432 HB2 LEU 60 1HB LEU 60 -2.692 4.379 0.010 433 HB3 LEU 60 2HB LEU 60 -2.487 3.038 -1.100 434 HG LEU 60 HG LEU 60 -0.168 4.650 -1.362 435 HD11 LEU 60 1HD1 LEU 60 -0.778 4.076 1.550 436 HD12 LEU 60 2HD1 LEU 60 0.712 4.785 0.881 437 HD13 LEU 60 3HD1 LEU 60 -0.821 5.686 0.792 438 HD21 LEU 60 1HD2 LEU 60 0.292 2.467 -1.703 439 HD22 LEU 60 2HD2 LEU 60 0.702 2.512 0.029 440 HD23 LEU 60 3HD2 LEU 60 -0.890 1.910 -0.494 441 H ILE 61 H ILE 61 -2.826 3.377 -4.101 442 HA ILE 61 HA ILE 61 -5.718 3.151 -3.846 443 HB ILE 61 HB ILE 61 -4.259 4.204 -6.260 444 HG12 ILE 61 1HG1 ILE 61 -6.741 5.296 -4.931 445 HG13 ILE 61 2HG1 ILE 61 -5.135 5.724 -4.378 446 HG21 ILE 61 1HG2 ILE 61 -6.586 2.460 -6.168 447 HG22 ILE 61 2HG2 ILE 61 -6.949 4.024 -6.936 448 HG23 ILE 61 3HG2 ILE 61 -5.621 3.015 -7.557 449 HD11 ILE 61 1HD1 ILE 61 -6.177 6.094 -7.225 450 HD12 ILE 61 2HD1 ILE 61 -5.974 7.382 -6.014 451 HD13 ILE 61 3HD1 ILE 61 -4.548 6.534 -6.658 452 H ALA 62 H ALA 62 -6.242 1.035 -3.875 453 HA ALA 62 HA ALA 62 -4.239 -0.868 -4.645 454 HB1 ALA 62 1HB ALA 62 -6.620 -0.758 -3.016 455 HB2 ALA 62 2HB ALA 62 -6.749 -2.116 -4.158 456 HB3 ALA 62 3HB ALA 62 -5.352 -2.006 -3.062 457 H ASP 63 H ASP 63 -3.922 -1.582 -6.687 458 HA ASP 63 HA ASP 63 -6.234 -1.426 -8.459 459 HB2 ASP 63 1HB ASP 63 -3.269 -1.308 -9.189 460 HB3 ASP 63 2HB ASP 63 -4.601 -1.175 -10.321 461 HA PRO 64 HA PRO 64 -5.079 -5.795 -8.134 462 HB2 PRO 64 1HB PRO 64 -7.614 -6.814 -8.132 463 HB3 PRO 64 2HB PRO 64 -6.744 -6.407 -6.667 464 HG2 PRO 64 1HG PRO 64 -8.955 -4.945 -7.976 465 HG3 PRO 64 2HG PRO 64 -8.368 -4.804 -6.330 466 HD2 PRO 64 1HD PRO 64 -7.870 -2.986 -8.492 467 HD3 PRO 64 2HD PRO 64 -7.190 -2.908 -6.879 468 H GLU 65 H GLU 65 -6.213 -3.843 -10.463 469 HA GLU 65 HA GLU 65 -7.158 -5.658 -12.323 470 HB2 GLU 65 1HB GLU 65 -6.282 -2.852 -12.265 471 HB3 GLU 65 2HB GLU 65 -5.895 -3.620 -13.792 472 HG2 GLU 65 1HG GLU 65 -8.583 -4.385 -12.924 473 HG3 GLU 65 2HG GLU 65 -8.429 -2.640 -12.955 474 H SER 66 H SER 66 -3.827 -4.381 -11.699 475 HA SER 66 HA SER 66 -2.844 -6.729 -13.090 476 HB2 SER 66 1HB SER 66 -2.413 -3.890 -13.845 477 HB3 SER 66 2HB SER 66 -0.936 -4.827 -13.738 478 HG SER 66 HG SER 66 -2.973 -6.204 -15.059 479 H ARG 67 H ARG 67 -3.203 -6.091 -10.237 480 HA ARG 67 HA ARG 67 -2.147 -6.045 -8.347 481 HB2 ARG 67 1HB ARG 67 0.142 -7.329 -9.924 482 HB3 ARG 67 2HB ARG 67 -0.043 -7.395 -8.183 483 HG2 ARG 67 1HG ARG 67 -2.214 -8.409 -10.064 484 HG3 ARG 67 2HG ARG 67 -0.890 -9.434 -9.548 485 HD2 ARG 67 1HD ARG 67 -1.760 -8.326 -7.134 486 HD3 ARG 67 2HD ARG 67 -3.259 -8.516 -8.022 487 HE ARG 67 HE ARG 67 -1.631 -10.649 -6.933 488 HH11 ARG 67 2HH2 ARG 67 -3.766 -9.863 -9.618 489 HH12 ARG 67 1HH2 ARG 67 -4.234 -11.508 -9.893 490 HH21 ARG 67 2HH1 ARG 67 -2.248 -12.819 -7.296 491 HH22 ARG 67 1HH1 ARG 67 -3.365 -13.200 -8.564 492 H THR 68 H THR 68 -2.070 -3.568 -8.814 493 HA THR 68 HA THR 68 0.666 -2.694 -8.364 494 HB THR 68 HB THR 68 0.209 -0.852 -10.157 495 HG1 THR 68 1HG THR 68 -1.646 -1.238 -11.333 496 HG21 THR 68 1HG2 THR 68 1.821 -2.637 -10.699 497 HG22 THR 68 2HG2 THR 68 0.493 -3.785 -10.995 498 HG23 THR 68 3HG2 THR 68 0.739 -2.406 -12.093 499 H VAL 69 H VAL 69 0.543 -0.124 -8.039 500 HA VAL 69 HA VAL 69 -1.939 0.693 -6.845 501 HB VAL 69 HB VAL 69 0.519 0.223 -5.145 502 HG11 VAL 69 1HG1 VAL 69 -0.367 1.483 -3.480 503 HG12 VAL 69 2HG1 VAL 69 -1.173 2.310 -4.834 504 HG13 VAL 69 3HG1 VAL 69 -2.044 1.066 -3.905 505 HG21 VAL 69 1HG2 VAL 69 -1.051 -1.264 -3.852 506 HG22 VAL 69 2HG2 VAL 69 -2.213 -1.093 -5.189 507 HG23 VAL 69 3HG2 VAL 69 -0.630 -1.853 -5.478 508 H ALA 70 H ALA 70 -2.080 2.952 -6.712 509 HA ALA 70 HA ALA 70 0.213 4.331 -7.909 510 HB1 ALA 70 1HB ALA 70 -2.446 4.271 -8.637 511 HB2 ALA 70 2HB ALA 70 -2.364 5.756 -7.660 512 HB3 ALA 70 3HB ALA 70 -1.297 5.559 -9.071 513 H VAL 71 H VAL 71 1.070 6.222 -6.939 514 HA VAL 71 HA VAL 71 0.023 6.831 -4.272 515 HB VAL 71 HB VAL 71 2.901 6.305 -5.033 516 HG11 VAL 71 1HG1 VAL 71 3.643 7.285 -3.121 517 HG12 VAL 71 2HG1 VAL 71 2.171 8.265 -3.329 518 HG13 VAL 71 3HG1 VAL 71 2.168 6.881 -2.209 519 HG21 VAL 71 1HG2 VAL 71 1.665 4.258 -4.633 520 HG22 VAL 71 2HG2 VAL 71 2.754 4.567 -3.259 521 HG23 VAL 71 3HG2 VAL 71 1.013 4.908 -3.109 522 H LYS 72 H LYS 72 -0.626 8.915 -4.312 523 HA LYS 72 HA LYS 72 0.965 10.751 -5.966 524 HB2 LYS 72 1HB LYS 72 -1.227 10.427 -6.940 525 HB3 LYS 72 2HB LYS 72 -2.013 10.739 -5.405 526 HG2 LYS 72 1HG LYS 72 -0.798 13.050 -5.457 527 HG3 LYS 72 2HG LYS 72 -0.469 12.703 -7.143 528 HD2 LYS 72 1HD LYS 72 -3.290 12.525 -6.012 529 HD3 LYS 72 2HD LYS 72 -2.630 14.047 -6.577 530 HE2 LYS 72 1HE LYS 72 -1.994 12.478 -8.719 531 HE3 LYS 72 2HE LYS 72 -3.406 11.611 -8.149 532 HZ1 LYS 72 1HZ LYS 72 -3.617 13.637 -9.734 533 HZ2 LYS 72 2HZ LYS 72 -4.741 13.368 -8.580 534 HZ3 LYS 72 3HZ LYS 72 -3.585 14.498 -8.347 535 H GLN 73 H GLN 73 2.136 12.178 -4.811 536 HA GLN 73 HA GLN 73 1.702 12.362 -2.023 537 HB2 GLN 73 1HB GLN 73 3.970 12.478 -2.734 538 HB3 GLN 73 2HB GLN 73 3.620 13.660 -3.979 539 HG2 GLN 73 1HG GLN 73 3.274 15.419 -2.357 540 HG3 GLN 73 2HG GLN 73 3.204 14.281 -1.027 541 HE21 GLN 73 1HE2 GLN 73 4.971 16.630 -1.865 542 HE22 GLN 73 2HE2 GLN 73 6.595 16.072 -1.634 543 H LEU 74 H LEU 74 0.104 13.577 -1.114 544 HA LEU 74 HA LEU 74 -0.647 16.038 -2.528 545 HB2 LEU 74 1HB LEU 74 -2.454 14.901 -0.486 546 HB3 LEU 74 2HB LEU 74 -2.813 15.688 -2.010 547 HG LEU 74 HG LEU 74 -1.597 12.950 -2.064 548 HD11 LEU 74 1HD1 LEU 74 -4.144 13.599 -0.803 549 HD12 LEU 74 2HD1 LEU 74 -4.324 12.468 -2.166 550 HD13 LEU 74 3HD1 LEU 74 -3.225 12.075 -0.822 551 HD21 LEU 74 1HD2 LEU 74 -2.095 14.476 -4.091 552 HD22 LEU 74 2HD2 LEU 74 -2.580 12.765 -4.162 553 HD23 LEU 74 3HD2 LEU 74 -3.794 14.021 -3.819 554 H GLY 75 H GLY 75 1.193 14.852 0.014 555 HA2 GLY 75 1HA GLY 75 0.493 16.926 1.933 556 HA3 GLY 75 2HA GLY 75 1.677 15.648 2.119 557 H VAL 76 H VAL 76 3.501 16.844 2.688 558 HA VAL 76 HA VAL 76 4.414 18.735 0.632 559 HB VAL 76 HB VAL 76 3.875 20.159 2.351 560 HG11 VAL 76 1HG1 VAL 76 4.045 19.714 4.714 561 HG12 VAL 76 2HG1 VAL 76 3.226 18.336 3.940 562 HG13 VAL 76 3HG1 VAL 76 4.937 18.203 4.415 563 HG21 VAL 76 1HG2 VAL 76 6.650 19.415 3.292 564 HG22 VAL 76 2HG2 VAL 76 6.364 20.173 1.707 565 HG23 VAL 76 3HG2 VAL 76 5.895 21.024 3.198 566 H ASN 77 H ASN 77 5.412 16.623 3.413 567 HA ASN 77 HA ASN 77 8.059 16.532 2.845 568 HB2 ASN 77 1HB ASN 77 6.498 14.066 3.735 569 HB3 ASN 77 2HB ASN 77 8.125 14.524 4.198 570 HD21 ASN 77 1HD2 ASN 77 8.477 15.908 5.841 571 HD22 ASN 77 2HD2 ASN 77 7.247 16.589 6.852 572 HA PRO 78 HA PRO 78 8.122 14.196 -0.881 573 HB2 PRO 78 1HB PRO 78 10.799 13.672 -1.047 574 HB3 PRO 78 2HB PRO 78 10.085 15.188 -1.561 575 HG2 PRO 78 1HG PRO 78 11.661 14.613 0.873 576 HG3 PRO 78 2HG PRO 78 11.309 16.162 0.134 577 HD2 PRO 78 1HD PRO 78 10.073 15.058 2.475 578 HD3 PRO 78 2HD PRO 78 9.642 16.553 1.668 579 H SER 79 H SER 79 7.376 12.223 -1.312 580 HA SER 79 HA SER 79 8.150 10.233 0.634 581 HB2 SER 79 1HB SER 79 5.905 10.525 -1.360 582 HB3 SER 79 2HB SER 79 6.337 8.914 -0.825 583 HG SER 79 HG SER 79 6.139 10.732 1.289 584 H THR 80 H THR 80 8.689 7.975 -0.181 585 HA THR 80 HA THR 80 10.060 8.110 -2.786 586 HB THR 80 HB THR 80 10.982 6.755 -0.195 587 HG1 THR 80 1HG THR 80 12.012 9.001 -1.773 588 HG21 THR 80 1HG2 THR 80 13.126 6.483 -1.417 589 HG22 THR 80 2HG2 THR 80 11.827 5.636 -2.290 590 HG23 THR 80 3HG2 THR 80 12.405 7.217 -2.870 591 H VAL 81 H VAL 81 8.903 6.940 -4.189 592 HA VAL 81 HA VAL 81 7.459 4.631 -3.190 593 HB VAL 81 HB VAL 81 7.517 6.183 -5.767 594 HG11 VAL 81 1HG1 VAL 81 7.195 4.161 -6.776 595 HG12 VAL 81 2HG1 VAL 81 6.567 3.395 -5.297 596 HG13 VAL 81 3HG1 VAL 81 5.519 4.466 -6.258 597 HG21 VAL 81 1HG2 VAL 81 5.097 5.506 -4.105 598 HG22 VAL 81 2HG2 VAL 81 6.176 6.841 -3.634 599 HG23 VAL 81 3HG2 VAL 81 5.361 6.871 -5.216 600 H GLY 82 H GLY 82 9.291 3.289 -2.625 601 HA2 GLY 82 1HA GLY 82 10.317 1.319 -3.330 602 HA3 GLY 82 2HA GLY 82 10.381 1.918 -4.975 603 H VAL 83 H VAL 83 12.156 3.141 -5.695 604 HA VAL 83 HA VAL 83 14.156 3.793 -3.654 605 HB VAL 83 HB VAL 83 14.620 1.617 -4.823 606 HG11 VAL 83 1HG1 VAL 83 15.757 2.670 -7.222 607 HG12 VAL 83 2HG1 VAL 83 14.461 1.463 -7.040 608 HG13 VAL 83 3HG1 VAL 83 14.058 3.194 -7.138 609 HG21 VAL 83 1HG2 VAL 83 17.025 2.340 -5.460 610 HG22 VAL 83 2HG2 VAL 83 16.517 3.961 -4.927 611 HG23 VAL 83 3HG2 VAL 83 16.475 2.595 -3.786 612 H GLN 84 H GLN 84 11.966 5.185 -5.392 613 HA GLN 84 HA GLN 84 13.819 7.156 -6.483 614 HB2 GLN 84 1HB GLN 84 12.828 6.153 -8.407 615 HB3 GLN 84 2HB GLN 84 11.243 6.071 -7.664 616 HG2 GLN 84 1HG GLN 84 10.709 8.172 -8.352 617 HG3 GLN 84 2HG GLN 84 12.200 8.837 -7.717 618 HE21 GLN 84 1HE2 GLN 84 10.646 9.163 -10.274 619 HE22 GLN 84 2HE2 GLN 84 11.795 8.954 -11.553 620 H GLU 85 H GLU 85 13.488 9.271 -5.819 621 HA GLU 85 HA GLU 85 11.622 9.630 -3.721 622 HB2 GLU 85 1HB GLU 85 13.699 10.765 -3.469 623 HB3 GLU 85 2HB GLU 85 13.657 11.406 -5.099 624 HG2 GLU 85 1HG GLU 85 11.644 12.797 -4.460 625 HG3 GLU 85 2HG GLU 85 11.790 12.206 -2.816 626 H LEU 86 H LEU 86 9.780 11.042 -3.669 627 HA LEU 86 HA LEU 86 8.707 11.564 -6.345 628 HB2 LEU 86 1HB LEU 86 7.480 10.892 -3.697 629 HB3 LEU 86 2HB LEU 86 6.546 11.780 -4.885 630 HG LEU 86 HG LEU 86 7.655 8.982 -5.084 631 HD11 LEU 86 1HD1 LEU 86 5.127 8.767 -5.887 632 HD12 LEU 86 2HD1 LEU 86 5.586 8.742 -4.167 633 HD13 LEU 86 3HD1 LEU 86 4.958 10.238 -4.899 634 HD21 LEU 86 1HD2 LEU 86 8.242 9.823 -7.196 635 HD22 LEU 86 2HD2 LEU 86 6.676 9.014 -7.443 636 HD23 LEU 86 3HD2 LEU 86 6.752 10.789 -7.327 637 H LYS 87 H LYS 87 6.799 13.476 -5.814 638 HA LYS 87 HA LYS 87 8.147 15.631 -4.408 639 HB2 LYS 87 1HB LYS 87 8.091 15.371 -7.314 640 HB3 LYS 87 2HB LYS 87 7.319 16.851 -6.780 641 HG2 LYS 87 1HG LYS 87 9.275 17.649 -5.707 642 HG3 LYS 87 2HG LYS 87 9.970 16.048 -5.555 643 HD2 LYS 87 1HD LYS 87 11.225 16.722 -7.362 644 HD3 LYS 87 2HD LYS 87 9.827 16.181 -8.269 645 HE2 LYS 87 1HE LYS 87 8.926 18.455 -8.377 646 HE3 LYS 87 2HE LYS 87 10.144 19.047 -7.264 647 HZ1 LYS 87 1HZ LYS 87 11.786 18.795 -8.848 648 HZ2 LYS 87 2HZ LYS 87 10.915 17.776 -9.781 649 HZ3 LYS 87 3HZ LYS 87 10.530 19.362 -9.725 650 HA PRO 88 HA PRO 88 4.085 16.839 -3.567 651 HB2 PRO 88 1HB PRO 88 4.079 19.569 -3.697 652 HB3 PRO 88 2HB PRO 88 4.727 18.676 -2.336 653 HG2 PRO 88 1HG PRO 88 6.181 20.085 -4.490 654 HG3 PRO 88 2HG PRO 88 6.773 19.563 -2.925 655 HD2 PRO 88 1HD PRO 88 7.266 18.302 -5.454 656 HD3 PRO 88 2HD PRO 88 7.759 17.717 -3.877 657 H GLY 89 H GLY 89 2.400 16.188 -4.739 658 HA2 GLY 89 1HA GLY 89 0.672 16.756 -6.193 659 HA3 GLY 89 2HA GLY 89 1.708 17.916 -7.000 660 H LEU 90 H LEU 90 3.594 15.170 -6.459 661 HA LEU 90 HA LEU 90 3.345 14.417 -9.233 662 HB2 LEU 90 1HB LEU 90 5.466 14.717 -7.637 663 HB3 LEU 90 2HB LEU 90 5.170 13.014 -7.350 664 HG LEU 90 HG LEU 90 5.555 12.437 -9.608 665 HD11 LEU 90 1HD1 LEU 90 4.948 15.298 -10.140 666 HD12 LEU 90 2HD1 LEU 90 6.127 14.503 -11.210 667 HD13 LEU 90 3HD1 LEU 90 4.487 13.833 -11.040 668 HD21 LEU 90 1HD2 LEU 90 7.662 14.476 -9.625 669 HD22 LEU 90 2HD2 LEU 90 7.504 13.618 -8.073 670 HD23 LEU 90 3HD2 LEU 90 7.774 12.700 -9.574 671 H SER 91 H SER 91 3.718 11.790 -9.459 672 HA SER 91 HA SER 91 2.112 10.350 -7.615 673 HB2 SER 91 1HB SER 91 0.899 9.900 -10.225 674 HB3 SER 91 2HB SER 91 0.127 10.285 -8.700 675 HG SER 91 HG SER 91 0.462 12.523 -9.087 676 H GLY 92 H GLY 92 2.749 8.188 -7.642 677 HA2 GLY 92 1HA GLY 92 4.264 7.277 -10.012 678 HA3 GLY 92 2HA GLY 92 4.870 7.055 -8.383 679 H SER 93 H SER 93 4.805 4.702 -9.215 680 HA SER 93 HA SER 93 2.208 3.631 -8.462 681 HB2 SER 93 1HB SER 93 3.892 2.899 -10.880 682 HB3 SER 93 2HB SER 93 2.745 1.760 -10.203 683 HG SER 93 HG SER 93 1.493 2.816 -11.659 684 H LEU 94 H LEU 94 2.325 1.446 -7.497 685 HA LEU 94 HA LEU 94 5.049 0.732 -6.669 686 HB2 LEU 94 1HB LEU 94 2.860 1.638 -5.052 687 HB3 LEU 94 2HB LEU 94 3.222 -0.029 -4.648 688 HG LEU 94 HG LEU 94 5.713 1.329 -4.813 689 HD11 LEU 94 1HD1 LEU 94 3.782 2.818 -3.019 690 HD12 LEU 94 2HD1 LEU 94 5.512 3.152 -3.277 691 HD13 LEU 94 3HD1 LEU 94 4.348 3.413 -4.598 692 HD21 LEU 94 1HD2 LEU 94 4.936 -0.642 -3.385 693 HD22 LEU 94 2HD2 LEU 94 6.022 0.544 -2.623 694 HD23 LEU 94 3HD2 LEU 94 4.278 0.577 -2.267 695 H SER 95 H SER 95 5.583 -1.409 -6.886 696 HA SER 95 HA SER 95 3.485 -3.050 -8.028 697 HB2 SER 95 1HB SER 95 6.520 -3.333 -7.995 698 HB3 SER 95 2HB SER 95 5.451 -4.554 -8.657 699 HG SER 95 HG SER 95 6.160 -2.021 -9.686 700 H LEU 96 H LEU 96 3.798 -5.547 -7.438 701 HA LEU 96 HA LEU 96 3.335 -5.751 -4.669 702 HB2 LEU 96 1HB LEU 96 3.211 -7.427 -7.036 703 HB3 LEU 96 2HB LEU 96 3.836 -8.310 -5.657 704 HG LEU 96 HG LEU 96 1.198 -6.823 -5.782 705 HD11 LEU 96 1HD1 LEU 96 0.125 -8.813 -6.104 706 HD12 LEU 96 2HD1 LEU 96 1.638 -9.139 -6.983 707 HD13 LEU 96 3HD1 LEU 96 1.414 -9.768 -5.333 708 HD21 LEU 96 1HD2 LEU 96 2.749 -7.343 -3.518 709 HD22 LEU 96 2HD2 LEU 96 1.023 -6.914 -3.569 710 HD23 LEU 96 3HD2 LEU 96 1.513 -8.624 -3.533 711 H GLY 97 H GLY 97 4.950 -5.283 -3.245 712 HA2 GLY 97 1HA GLY 97 6.759 -6.488 -2.116 713 HA3 GLY 97 2HA GLY 97 7.525 -6.678 -3.680 714 H ASP 98 H ASP 98 6.489 -3.846 -4.447 715 HA ASP 98 HA ASP 98 8.830 -2.521 -3.875 716 HB2 ASP 98 1HB ASP 98 6.142 -1.831 -4.983 717 HB3 ASP 98 2HB ASP 98 7.046 -0.471 -4.348 718 H VAL 99 H VAL 99 9.079 -0.481 -2.521 719 HA VAL 99 HA VAL 99 7.433 -0.679 -0.099 720 HB VAL 99 HB VAL 99 10.252 0.300 -0.574 721 HG11 VAL 99 1HG1 VAL 99 10.324 0.606 1.918 722 HG12 VAL 99 2HG1 VAL 99 9.285 1.770 1.062 723 HG13 VAL 99 3HG1 VAL 99 8.555 0.404 1.939 724 HG21 VAL 99 1HG2 VAL 99 9.063 -2.115 0.803 725 HG22 VAL 99 2HG2 VAL 99 10.280 -2.055 -0.495 726 HG23 VAL 99 3HG2 VAL 99 10.712 -1.542 1.154 727 H LEU 100 H LEU 100 6.963 1.417 1.022 728 HA LEU 100 HA LEU 100 6.999 3.712 -0.771 729 HB2 LEU 100 1HB LEU 100 4.907 2.751 -1.316 730 HB3 LEU 100 2HB LEU 100 4.525 2.424 0.362 731 HG LEU 100 HG LEU 100 4.319 4.835 0.805 732 HD11 LEU 100 1HD1 LEU 100 5.957 5.369 -1.163 733 HD12 LEU 100 2HD1 LEU 100 4.464 5.429 -2.131 734 HD13 LEU 100 3HD1 LEU 100 4.663 6.514 -0.734 735 HD21 LEU 100 1HD2 LEU 100 2.274 5.235 -0.618 736 HD22 LEU 100 2HD2 LEU 100 2.650 3.707 -1.450 737 HD23 LEU 100 3HD2 LEU 100 2.295 3.707 0.294 738 H TYR 101 H TYR 101 8.658 4.486 0.662 739 HA TYR 101 HA TYR 101 8.379 4.595 3.430 740 HB2 TYR 101 1HB TYR 101 9.742 6.418 1.350 741 HB3 TYR 101 2HB TYR 101 10.113 6.474 3.062 742 HD1 TYR 101 2HD TYR 101 11.189 4.471 4.164 743 HD2 TYR 101 1HD TYR 101 10.727 4.777 -0.078 744 HE1 TYR 101 2HE TYR 101 12.951 2.668 3.835 745 HE2 TYR 101 1HE TYR 101 12.490 2.972 -0.393 746 HH TYR 101 HH TYR 101 14.270 1.691 2.371 747 H LEU 102 H LEU 102 6.468 5.379 4.295 748 HA LEU 102 HA LEU 102 4.802 7.248 3.389 749 HB2 LEU 102 1HB LEU 102 5.380 6.021 5.871 750 HB3 LEU 102 2HB LEU 102 5.194 7.734 6.190 751 HG LEU 102 HG LEU 102 3.080 6.802 4.438 752 HD11 LEU 102 1HD1 LEU 102 2.047 5.523 6.563 753 HD12 LEU 102 2HD1 LEU 102 2.915 4.697 5.247 754 HD13 LEU 102 3HD1 LEU 102 3.762 5.087 6.763 755 HD21 LEU 102 1HD2 LEU 102 2.993 7.912 7.257 756 HD22 LEU 102 2HD2 LEU 102 3.076 8.886 5.769 757 HD23 LEU 102 3HD2 LEU 102 1.656 7.859 6.083 758 H VAL 103 H VAL 103 7.668 8.026 5.489 759 HA VAL 103 HA VAL 103 8.236 10.338 3.936 760 HB VAL 103 HB VAL 103 6.265 11.098 5.232 761 HG11 VAL 103 1HG1 VAL 103 8.057 10.565 7.624 762 HG12 VAL 103 2HG1 VAL 103 6.552 11.514 7.675 763 HG13 VAL 103 3HG1 VAL 103 6.501 9.787 7.250 764 HG21 VAL 103 1HG2 VAL 103 8.298 12.548 4.525 765 HG22 VAL 103 2HG2 VAL 103 7.134 13.216 5.695 766 HG23 VAL 103 3HG2 VAL 103 8.691 12.565 6.261 767 H ASN 104 H ASN 104 10.056 11.654 5.183 768 HA ASN 104 HA ASN 104 12.152 11.512 5.774 769 HB2 ASN 104 1HB ASN 104 10.510 10.931 8.017 770 HB3 ASN 104 2HB ASN 104 11.811 9.762 8.122 771 HD21 ASN 104 1HD2 ASN 104 10.949 13.143 8.054 772 HD22 ASN 104 2HD2 ASN 104 12.431 13.792 8.674 773 H GLY 105 H GLY 105 11.419 9.450 3.891 774 HA2 GLY 105 1HA GLY 105 11.980 7.404 3.113 775 HA3 GLY 105 2HA GLY 105 13.551 7.790 3.788 776 H LEU 106 H LEU 106 10.753 7.537 5.948 777 HA LEU 106 HA LEU 106 11.770 4.924 6.827 778 HB2 LEU 106 1HB LEU 106 10.928 7.339 8.403 779 HB3 LEU 106 2HB LEU 106 10.841 5.734 9.100 780 HG LEU 106 HG LEU 106 13.330 7.125 8.077 781 HD11 LEU 106 1HD1 LEU 106 12.425 7.937 10.245 782 HD12 LEU 106 2HD1 LEU 106 12.596 6.288 10.894 783 HD13 LEU 106 3HD1 LEU 106 14.038 7.195 10.375 784 HD21 LEU 106 1HD2 LEU 106 14.460 5.084 9.180 785 HD22 LEU 106 2HD2 LEU 106 12.877 4.292 8.990 786 HD23 LEU 106 3HD2 LEU 106 13.749 4.895 7.559 787 H TYR 107 H TYR 107 9.762 4.227 8.602 788 HA TYR 107 HA TYR 107 7.855 3.063 8.481 789 HB2 TYR 107 1HB TYR 107 6.695 5.597 7.225 790 HB3 TYR 107 2HB TYR 107 5.993 4.616 8.497 791 HD1 TYR 107 2HD TYR 107 7.791 4.464 10.643 792 HD2 TYR 107 1HD TYR 107 7.281 7.722 7.917 793 HE1 TYR 107 2HE TYR 107 8.711 6.074 12.383 794 HE2 TYR 107 1HE TYR 107 8.203 9.321 9.666 795 HH TYR 107 HH TYR 107 8.467 8.523 12.873 796 HA PRO 108 HA PRO 108 7.908 2.511 3.932 797 HB2 PRO 108 1HB PRO 108 9.268 0.145 3.786 798 HB3 PRO 108 2HB PRO 108 10.033 1.705 3.561 799 HG2 PRO 108 1HG PRO 108 10.164 -0.103 5.896 800 HG3 PRO 108 2HG PRO 108 11.228 1.224 5.474 801 HD2 PRO 108 1HD PRO 108 9.178 1.240 7.480 802 HD3 PRO 108 2HD PRO 108 10.164 2.599 6.977 803 H LEU 109 H LEU 109 6.190 1.682 2.891 804 HA LEU 109 HA LEU 109 4.863 -0.464 4.396 805 HB2 LEU 109 1HB LEU 109 3.782 1.830 2.777 806 HB3 LEU 109 2HB LEU 109 2.816 0.407 3.115 807 HG LEU 109 HG LEU 109 2.277 2.146 4.691 808 HD11 LEU 109 1HD1 LEU 109 2.704 -0.403 5.365 809 HD12 LEU 109 2HD1 LEU 109 3.882 0.367 6.455 810 HD13 LEU 109 3HD1 LEU 109 2.164 0.826 6.533 811 HD21 LEU 109 1HD2 LEU 109 4.447 3.362 4.516 812 HD22 LEU 109 2HD2 LEU 109 3.851 3.174 6.183 813 HD23 LEU 109 3HD2 LEU 109 5.170 2.138 5.587 814 H THR 110 H THR 110 5.493 -2.364 3.480 815 HA THR 110 HA THR 110 6.025 -2.503 0.655 816 HB THR 110 HB THR 110 6.050 -4.454 3.005 817 HG1 THR 110 1HG THR 110 8.101 -3.630 2.953 818 HG21 THR 110 1HG2 THR 110 7.416 -5.225 0.481 819 HG22 THR 110 2HG2 THR 110 6.481 -6.235 1.610 820 HG23 THR 110 3HG2 THR 110 5.641 -5.273 0.370 821 H LEU 111 H LEU 111 4.698 -3.065 -0.963 822 HA LEU 111 HA LEU 111 1.938 -3.482 -0.305 823 HB2 LEU 111 1HB LEU 111 2.402 -2.047 -2.116 824 HB3 LEU 111 2HB LEU 111 3.498 -3.194 -2.862 825 HG LEU 111 HG LEU 111 1.626 -4.676 -3.411 826 HD11 LEU 111 1HD1 LEU 111 -0.256 -4.599 -2.242 827 HD12 LEU 111 2HD1 LEU 111 0.230 -3.068 -1.475 828 HD13 LEU 111 3HD1 LEU 111 -0.642 -3.048 -3.027 829 HD21 LEU 111 1HD2 LEU 111 1.038 -1.849 -4.323 830 HD22 LEU 111 2HD2 LEU 111 2.353 -2.864 -4.963 831 HD23 LEU 111 3HD2 LEU 111 0.658 -3.367 -5.171 832 H ARG 112 H ARG 112 0.748 -5.370 -0.439 833 HA ARG 112 HA ARG 112 2.221 -7.700 -1.344 834 HB2 ARG 112 1HB ARG 112 0.745 -7.352 1.300 835 HB3 ARG 112 2HB ARG 112 1.010 -8.945 0.620 836 HG2 ARG 112 1HG ARG 112 3.277 -6.955 1.073 837 HG3 ARG 112 2HG ARG 112 2.784 -8.116 2.290 838 HD2 ARG 112 1HD ARG 112 3.418 -9.990 0.930 839 HD3 ARG 112 2HD ARG 112 3.473 -9.025 -0.531 840 HE ARG 112 HE ARG 112 5.355 -7.878 1.237 841 HH11 ARG 112 2HH2 ARG 112 4.874 -10.956 -0.399 842 HH12 ARG 112 1HH2 ARG 112 6.565 -11.322 -0.481 843 HH21 ARG 112 2HH1 ARG 112 7.586 -8.360 1.129 844 HH22 ARG 112 1HH1 ARG 112 8.118 -9.836 0.394 845 H TRP 113 H TRP 113 0.472 -9.693 -1.324 846 HA TRP 113 HA TRP 113 -2.177 -8.735 -2.021 847 HB2 TRP 113 1HB TRP 113 -1.366 -8.518 -4.162 848 HB3 TRP 113 2HB TRP 113 -0.219 -9.832 -3.994 849 HD1 TRP 113 HD TRP 113 -1.492 -12.416 -3.891 850 HE1 TRP 113 1HE TRP 113 -3.503 -13.375 -5.306 851 HE3 TRP 113 3HE TRP 113 -3.354 -7.895 -5.285 852 HZ2 TRP 113 2HZ TRP 113 -5.599 -12.162 -6.815 853 HZ3 TRP 113 3HZ TRP 113 -5.385 -7.871 -6.730 854 HH2 TRP 113 HH TRP 113 -6.502 -9.907 -7.492 855 H SER 114 H SER 114 -3.653 -10.177 -1.199 856 HA SER 114 HA SER 114 -2.666 -12.432 0.163 857 HB2 SER 114 1HB SER 114 -4.544 -11.366 1.147 858 HB3 SER 114 2HB SER 114 -5.416 -11.281 -0.371 859 HG SER 114 HG SER 114 -5.679 -13.603 -0.304 860 H GLY 115 H GLY 115 -3.395 -14.711 -0.205 861 HA2 GLY 115 1HA GLY 115 -4.551 -15.397 -2.750 862 HA3 GLY 115 2HA GLY 115 -2.830 -15.715 -2.666 863 HA PRO 116 HA PRO 116 -5.233 -19.087 -0.577 864 HB2 PRO 116 1HB PRO 116 -5.291 -20.999 -2.529 865 HB3 PRO 116 2HB PRO 116 -6.633 -19.920 -2.204 866 HG2 PRO 116 1HG PRO 116 -4.698 -19.851 -4.438 867 HG3 PRO 116 2HG PRO 116 -6.264 -19.074 -4.318 868 HD2 PRO 116 1HD PRO 116 -3.700 -17.823 -4.021 869 HD3 PRO 116 2HD PRO 116 -5.266 -17.072 -3.787 870 H SER 117 H SER 117 -4.324 -20.711 0.641 871 HA SER 117 HA SER 117 -2.750 -22.046 1.336 872 HB2 SER 117 1HB SER 117 -1.261 -21.690 -1.298 873 HB3 SER 117 2HB SER 117 -1.080 -23.004 -0.153 874 HG SER 117 HG SER 117 -3.136 -23.794 -0.684 875 H SER 118 H SER 118 -0.903 -19.788 -0.851 876 HA SER 118 HA SER 118 0.493 -18.171 -0.408 877 HB2 SER 118 1HB SER 118 -1.156 -17.852 1.685 878 HB3 SER 118 2HB SER 118 0.248 -18.384 2.588 879 HG SER 118 HG SER 118 1.463 -16.633 1.767 880 H GLY 119 H GLY 119 2.169 -19.626 -1.179 881 HA2 GLY 119 1HA GLY 119 4.391 -19.909 0.409 882 HA3 GLY 119 2HA GLY 119 3.513 -21.414 0.600 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -16.307 -26.149 -22.049 2 HA2 GLY 1 1HA GLY 1 -17.038 -25.250 -19.404 3 HA3 GLY 1 2HA GLY 1 -16.095 -26.662 -19.838 4 H SER 2 H SER 2 -16.014 -23.254 -18.958 5 HA SER 2 HA SER 2 -13.209 -23.529 -18.451 6 HB2 SER 2 1HB SER 2 -14.228 -22.015 -20.743 7 HB3 SER 2 2HB SER 2 -13.352 -20.968 -19.644 8 HG SER 2 HG SER 2 -12.220 -23.502 -20.379 9 H SER 3 H SER 3 -15.880 -21.062 -18.728 10 HA SER 3 HA SER 3 -15.014 -19.980 -16.196 11 HB2 SER 3 1HB SER 3 -15.969 -18.805 -18.519 12 HB3 SER 3 2HB SER 3 -17.400 -18.800 -17.508 13 HG SER 3 HG SER 3 -15.401 -17.061 -17.418 14 H GLY 4 H GLY 4 -16.728 -19.479 -14.502 15 HA2 GLY 4 1HA GLY 4 -18.811 -21.583 -14.502 16 HA3 GLY 4 2HA GLY 4 -17.898 -21.100 -13.086 17 H SER 5 H SER 5 -20.615 -20.994 -12.851 18 HA SER 5 HA SER 5 -21.302 -18.220 -13.378 19 HB2 SER 5 1HB SER 5 -22.776 -20.729 -13.417 20 HB3 SER 5 2HB SER 5 -23.541 -19.617 -12.300 21 HG SER 5 HG SER 5 -22.750 -18.475 -14.759 22 H SER 6 H SER 6 -22.578 -17.080 -11.585 23 HA SER 6 HA SER 6 -21.097 -17.051 -9.282 24 HB2 SER 6 1HB SER 6 -22.450 -15.146 -9.958 25 HB3 SER 6 2HB SER 6 -23.927 -16.083 -9.853 26 HG SER 6 HG SER 6 -23.870 -14.948 -7.942 27 H GLY 7 H GLY 7 -20.894 -18.715 -7.824 28 HA2 GLY 7 1HA GLY 7 -22.585 -19.590 -6.021 29 HA3 GLY 7 2HA GLY 7 -23.170 -20.505 -7.396 30 H MET 8 H MET 8 -21.871 -22.177 -8.341 31 HA MET 8 HA MET 8 -20.498 -23.750 -6.720 32 HB2 MET 8 1HB MET 8 -21.151 -23.939 -9.282 33 HB3 MET 8 2HB MET 8 -19.538 -23.327 -9.588 34 HG2 MET 8 1HG MET 8 -18.765 -25.453 -9.376 35 HG3 MET 8 2HG MET 8 -19.151 -25.370 -7.668 36 HE1 MET 8 1HE MET 8 -22.079 -25.590 -7.066 37 HE2 MET 8 2HE MET 8 -22.258 -27.357 -7.175 38 HE3 MET 8 3HE MET 8 -20.758 -26.653 -6.525 39 H SER 9 H SER 9 -18.669 -23.600 -5.501 40 HA SER 9 HA SER 9 -16.839 -21.474 -6.143 41 HB2 SER 9 1HB SER 9 -17.711 -21.917 -3.793 42 HB3 SER 9 2HB SER 9 -16.785 -23.404 -3.783 43 HG SER 9 HG SER 9 -14.836 -22.163 -4.059 44 H GLN 10 H GLN 10 -14.636 -21.786 -6.711 45 HA GLN 10 HA GLN 10 -13.535 -24.400 -6.650 46 HB2 GLN 10 1HB GLN 10 -14.927 -24.506 -8.730 47 HB3 GLN 10 2HB GLN 10 -14.061 -23.124 -9.371 48 HG2 GLN 10 1HG GLN 10 -12.731 -24.750 -10.312 49 HG3 GLN 10 2HG GLN 10 -11.927 -24.691 -8.756 50 HE21 GLN 10 1HE2 GLN 10 -11.296 -26.871 -9.311 51 HE22 GLN 10 2HE2 GLN 10 -12.344 -28.203 -8.953 52 H LEU 11 H LEU 11 -11.604 -23.831 -5.732 53 HA LEU 11 HA LEU 11 -9.656 -22.843 -5.420 54 HB2 LEU 11 1HB LEU 11 -10.043 -22.287 -8.346 55 HB3 LEU 11 2HB LEU 11 -8.638 -21.681 -7.492 56 HG LEU 11 HG LEU 11 -9.260 -24.589 -7.221 57 HD11 LEU 11 1HD1 LEU 11 -9.375 -23.594 -9.739 58 HD12 LEU 11 2HD1 LEU 11 -7.630 -23.913 -9.591 59 HD13 LEU 11 3HD1 LEU 11 -8.800 -25.228 -9.328 60 HD21 LEU 11 1HD2 LEU 11 -6.528 -23.799 -7.844 61 HD22 LEU 11 2HD2 LEU 11 -7.183 -22.917 -6.443 62 HD23 LEU 11 3HD2 LEU 11 -7.176 -24.697 -6.450 63 H GLY 12 H GLY 12 -8.885 -20.928 -4.509 64 HA2 GLY 12 1HA GLY 12 -10.848 -18.785 -4.370 65 HA3 GLY 12 2HA GLY 12 -9.416 -18.994 -3.383 66 H SER 13 H SER 13 -10.275 -18.484 -6.885 67 HA SER 13 HA SER 13 -7.833 -17.389 -7.555 68 HB2 SER 13 1HB SER 13 -8.912 -16.679 -9.608 69 HB3 SER 13 2HB SER 13 -9.579 -18.236 -9.155 70 HG SER 13 HG SER 13 -11.207 -16.589 -7.951 71 H ARG 14 H ARG 14 -7.708 -14.977 -8.486 72 HA ARG 14 HA ARG 14 -7.570 -12.870 -8.035 73 HB2 ARG 14 1HB ARG 14 -10.339 -13.288 -6.804 74 HB3 ARG 14 2HB ARG 14 -9.629 -11.706 -7.051 75 HG2 ARG 14 1HG ARG 14 -9.664 -11.917 -9.428 76 HG3 ARG 14 2HG ARG 14 -9.826 -13.661 -9.365 77 HD2 ARG 14 1HD ARG 14 -12.120 -13.252 -8.210 78 HD3 ARG 14 2HD ARG 14 -11.946 -11.576 -8.694 79 HE ARG 14 HE ARG 14 -12.443 -13.874 -10.469 80 HH11 ARG 14 2HH2 ARG 14 -11.441 -10.508 -10.253 81 HH12 ARG 14 1HH2 ARG 14 -11.813 -10.158 -11.908 82 HH21 ARG 14 2HH1 ARG 14 -12.933 -13.413 -12.653 83 HH22 ARG 14 1HH1 ARG 14 -12.667 -11.822 -13.283 84 H GLY 15 H GLY 15 -7.866 -11.118 -6.036 85 HA2 GLY 15 1HA GLY 15 -7.684 -12.217 -3.408 86 HA3 GLY 15 2HA GLY 15 -6.100 -11.840 -4.055 87 H ARG 16 H ARG 16 -5.985 -10.203 -2.296 88 HA ARG 16 HA ARG 16 -7.126 -7.737 -3.266 89 HB2 ARG 16 1HB ARG 16 -8.237 -9.056 -1.052 90 HB3 ARG 16 2HB ARG 16 -7.152 -7.901 -0.306 91 HG2 ARG 16 1HG ARG 16 -8.428 -6.102 -0.930 92 HG3 ARG 16 2HG ARG 16 -8.719 -6.739 -2.536 93 HD2 ARG 16 1HD ARG 16 -10.075 -8.291 -0.399 94 HD3 ARG 16 2HD ARG 16 -10.603 -6.623 -0.483 95 HE ARG 16 HE ARG 16 -10.464 -7.936 -3.103 96 HH11 ARG 16 2HH2 ARG 16 -12.479 -7.302 -0.289 97 HH12 ARG 16 1HH2 ARG 16 -13.967 -7.554 -1.138 98 HH21 ARG 16 2HH1 ARG 16 -12.427 -8.269 -4.225 99 HH22 ARG 16 1HH1 ARG 16 -13.937 -8.108 -3.392 100 H LEU 17 H LEU 17 -5.734 -5.940 -2.932 101 HA LEU 17 HA LEU 17 -3.070 -6.641 -2.086 102 HB2 LEU 17 1HB LEU 17 -4.202 -4.056 -3.166 103 HB3 LEU 17 2HB LEU 17 -2.505 -4.399 -2.897 104 HG LEU 17 HG LEU 17 -3.716 -6.431 -4.587 105 HD11 LEU 17 1HD1 LEU 17 -3.699 -3.699 -5.854 106 HD12 LEU 17 2HD1 LEU 17 -4.427 -5.214 -6.441 107 HD13 LEU 17 3HD1 LEU 17 -5.159 -4.348 -5.069 108 HD21 LEU 17 1HD2 LEU 17 -1.844 -5.502 -6.131 109 HD22 LEU 17 2HD2 LEU 17 -1.367 -4.560 -4.697 110 HD23 LEU 17 3HD2 LEU 17 -1.403 -6.338 -4.622 111 H TRP 18 H TRP 18 -1.858 -5.361 -0.482 112 HA TRP 18 HA TRP 18 -3.258 -3.644 1.286 113 HB2 TRP 18 1HB TRP 18 -2.986 -5.154 3.297 114 HB3 TRP 18 2HB TRP 18 -4.332 -5.480 2.223 115 HD1 TRP 18 HD TRP 18 -4.161 -7.779 0.726 116 HE1 TRP 18 1HE TRP 18 -2.817 -10.035 0.984 117 HE3 TRP 18 3HE TRP 18 -0.795 -6.001 4.097 118 HZ2 TRP 18 2HZ TRP 18 -0.548 -10.806 2.534 119 HZ3 TRP 18 3HZ TRP 18 0.952 -7.571 4.932 120 HH2 TRP 18 HH TRP 18 1.109 -9.899 4.204 121 H LEU 19 H LEU 19 -1.685 -3.329 3.337 122 HA LEU 19 HA LEU 19 1.047 -3.452 2.262 123 HB2 LEU 19 1HB LEU 19 -0.039 -1.397 4.182 124 HB3 LEU 19 2HB LEU 19 1.514 -1.393 3.370 125 HG LEU 19 HG LEU 19 -1.116 -1.221 1.883 126 HD11 LEU 19 1HD1 LEU 19 -1.002 1.130 1.874 127 HD12 LEU 19 2HD1 LEU 19 -0.738 0.652 3.568 128 HD13 LEU 19 3HD1 LEU 19 0.642 1.140 2.556 129 HD21 LEU 19 1HD2 LEU 19 1.751 -0.659 1.083 130 HD22 LEU 19 2HD2 LEU 19 0.690 -1.956 0.482 131 HD23 LEU 19 3HD2 LEU 19 0.327 -0.257 0.094 132 H GLN 20 H GLN 20 2.733 -4.092 3.660 133 HA GLN 20 HA GLN 20 1.741 -5.273 6.137 134 HB2 GLN 20 1HB GLN 20 2.653 -6.769 4.171 135 HB3 GLN 20 2HB GLN 20 4.233 -6.230 4.703 136 HG2 GLN 20 1HG GLN 20 4.046 -7.289 6.804 137 HG3 GLN 20 2HG GLN 20 2.294 -7.284 6.770 138 HE21 GLN 20 1HE2 GLN 20 4.521 -8.238 4.193 139 HE22 GLN 20 2HE2 GLN 20 4.065 -9.906 4.100 140 H SER 21 H SER 21 2.246 -3.773 7.713 141 HA SER 21 HA SER 21 4.519 -2.145 7.506 142 HB2 SER 21 1HB SER 21 3.867 -1.878 10.111 143 HB3 SER 21 2HB SER 21 2.959 -1.099 8.830 144 HG SER 21 HG SER 21 1.258 -2.335 9.256 145 HA PRO 22 HA PRO 22 7.456 -4.753 9.383 146 HB2 PRO 22 1HB PRO 22 9.301 -2.938 10.259 147 HB3 PRO 22 2HB PRO 22 9.205 -3.480 8.596 148 HG2 PRO 22 1HG PRO 22 8.347 -0.900 9.756 149 HG3 PRO 22 2HG PRO 22 8.654 -1.301 8.078 150 HD2 PRO 22 1HD PRO 22 6.091 -1.019 9.333 151 HD3 PRO 22 2HD PRO 22 6.401 -1.532 7.687 152 H THR 23 H THR 23 8.755 -5.232 11.426 153 HA THR 23 HA THR 23 8.470 -5.855 13.561 154 HB THR 23 HB THR 23 9.432 -3.442 13.539 155 HG1 THR 23 1HG THR 23 9.606 -4.444 15.534 156 HG21 THR 23 1HG2 THR 23 6.543 -2.946 14.417 157 HG22 THR 23 2HG2 THR 23 7.886 -1.856 14.838 158 HG23 THR 23 3HG2 THR 23 7.437 -2.097 13.133 159 H GLY 24 H GLY 24 6.869 -4.906 15.683 160 HA2 GLY 24 1HA GLY 24 4.374 -6.179 14.950 161 HA3 GLY 24 2HA GLY 24 4.903 -5.689 16.547 162 H GLY 25 H GLY 25 4.892 -3.590 13.624 163 HA2 GLY 25 1HA GLY 25 3.679 -1.429 14.906 164 HA3 GLY 25 2HA GLY 25 3.824 -1.666 13.175 165 HA PRO 26 HA PRO 26 -0.586 -1.893 13.822 166 HB2 PRO 26 1HB PRO 26 -1.306 -0.682 11.480 167 HB3 PRO 26 2HB PRO 26 -1.044 0.198 12.972 168 HG2 PRO 26 1HG PRO 26 0.699 0.027 10.590 169 HG3 PRO 26 2HG PRO 26 0.725 1.205 11.887 170 HD2 PRO 26 1HD PRO 26 2.534 -0.992 11.527 171 HD3 PRO 26 2HD PRO 26 2.488 0.117 12.884 172 HA PRO 27 HA PRO 27 -1.614 -5.271 11.465 173 HB2 PRO 27 1HB PRO 27 -4.292 -5.035 10.975 174 HB3 PRO 27 2HB PRO 27 -3.644 -5.591 12.505 175 HG2 PRO 27 1HG PRO 27 -4.827 -2.965 11.839 176 HG3 PRO 27 2HG PRO 27 -4.571 -3.685 13.415 177 HD2 PRO 27 1HD PRO 27 -3.000 -1.617 12.198 178 HD3 PRO 27 2HD PRO 27 -2.677 -2.418 13.723 179 HA PRO 28 HA PRO 28 -1.634 -4.672 7.260 180 HB2 PRO 28 1HB PRO 28 -2.975 -6.805 6.201 181 HB3 PRO 28 2HB PRO 28 -1.317 -6.897 6.761 182 HG2 PRO 28 1HG PRO 28 -3.769 -7.926 8.052 183 HG3 PRO 28 2HG PRO 28 -2.100 -8.364 8.359 184 HD2 PRO 28 1HD PRO 28 -3.753 -6.663 9.973 185 HD3 PRO 28 2HD PRO 28 -2.052 -7.009 10.216 186 H ILE 29 H ILE 29 -2.548 -2.787 6.662 187 HA ILE 29 HA ILE 29 -5.405 -2.615 6.741 188 HB ILE 29 HB ILE 29 -3.222 -0.750 5.822 189 HG12 ILE 29 1HG1 ILE 29 -4.646 0.375 7.935 190 HG13 ILE 29 2HG1 ILE 29 -4.531 -1.318 8.373 191 HG21 ILE 29 1HG2 ILE 29 -5.208 0.943 5.951 192 HG22 ILE 29 2HG2 ILE 29 -4.944 -0.018 4.476 193 HG23 ILE 29 3HG2 ILE 29 -6.206 -0.497 5.636 194 HD11 ILE 29 1HD1 ILE 29 -2.515 -0.499 9.230 195 HD12 ILE 29 2HD1 ILE 29 -1.994 -1.047 7.619 196 HD13 ILE 29 3HD1 ILE 29 -2.315 0.679 7.910 197 H PHE 30 H PHE 30 -6.807 -3.186 5.166 198 HA PHE 30 HA PHE 30 -5.676 -4.065 2.651 199 HB2 PHE 30 1HB PHE 30 -8.330 -4.198 4.156 200 HB3 PHE 30 2HB PHE 30 -8.314 -4.575 2.444 201 HD1 PHE 30 2HD PHE 30 -6.844 -5.567 5.700 202 HD2 PHE 30 1HD PHE 30 -7.635 -6.694 1.686 203 HE1 PHE 30 2HE PHE 30 -6.148 -7.921 6.224 204 HE2 PHE 30 1HE PHE 30 -6.939 -9.048 2.210 205 HZ PHE 30 HZ PHE 30 -6.203 -9.633 4.473 206 H LEU 31 H LEU 31 -5.382 -2.563 1.069 207 HA LEU 31 HA LEU 31 -6.677 -0.084 1.062 208 HB2 LEU 31 1HB LEU 31 -5.536 -1.294 -1.420 209 HB3 LEU 31 2HB LEU 31 -5.474 0.363 -0.852 210 HG LEU 31 HG LEU 31 -3.823 -1.993 0.056 211 HD11 LEU 31 1HD1 LEU 31 -2.084 0.017 -0.324 212 HD12 LEU 31 2HD1 LEU 31 -2.606 -1.084 -1.622 213 HD13 LEU 31 3HD1 LEU 31 -3.361 0.520 -1.458 214 HD21 LEU 31 1HD2 LEU 31 -4.185 -1.156 2.149 215 HD22 LEU 31 2HD2 LEU 31 -2.826 -0.124 1.643 216 HD23 LEU 31 3HD2 LEU 31 -4.493 0.497 1.564 217 HA PRO 32 HA PRO 32 -10.381 -0.899 -0.994 218 HB2 PRO 32 1HB PRO 32 -10.801 1.358 -2.477 219 HB3 PRO 32 2HB PRO 32 -11.112 1.272 -0.755 220 HG2 PRO 32 1HG PRO 32 -8.872 2.582 -2.169 221 HG3 PRO 32 2HG PRO 32 -9.432 2.835 -0.527 222 HD2 PRO 32 1HD PRO 32 -7.118 1.347 -1.342 223 HD3 PRO 32 2HD PRO 32 -7.744 1.503 0.288 224 H SER 33 H SER 33 -10.991 -2.324 -2.491 225 HA SER 33 HA SER 33 -9.228 -2.497 -4.743 226 HB2 SER 33 1HB SER 33 -11.694 -4.192 -4.184 227 HB3 SER 33 2HB SER 33 -10.331 -4.604 -5.206 228 HG SER 33 HG SER 33 -9.024 -4.349 -3.107 229 H ASP 34 H ASP 34 -12.443 -1.292 -3.906 230 HA ASP 34 HA ASP 34 -13.723 -1.417 -6.289 231 HB2 ASP 34 1HB ASP 34 -13.700 0.681 -4.090 232 HB3 ASP 34 2HB ASP 34 -14.737 0.875 -5.489 233 H GLY 35 H GLY 35 -11.217 0.877 -5.092 234 HA2 GLY 35 1HA GLY 35 -9.798 1.564 -7.116 235 HA3 GLY 35 2HA GLY 35 -11.281 2.323 -7.658 236 H GLN 36 H GLN 36 -11.797 2.613 -4.488 237 HA GLN 36 HA GLN 36 -11.347 5.271 -4.344 238 HB2 GLN 36 1HB GLN 36 -11.869 3.085 -2.404 239 HB3 GLN 36 2HB GLN 36 -11.119 4.501 -1.694 240 HG2 GLN 36 1HG GLN 36 -12.895 5.950 -2.689 241 HG3 GLN 36 2HG GLN 36 -13.640 4.543 -3.420 242 HE21 GLN 36 1HE2 GLN 36 -15.145 3.506 -2.343 243 HE22 GLN 36 2HE2 GLN 36 -15.490 3.632 -0.651 244 H ALA 37 H ALA 37 -9.856 6.256 -2.394 245 HA ALA 37 HA ALA 37 -7.158 5.165 -2.806 246 HB1 ALA 37 1HB ALA 37 -8.185 7.601 -3.780 247 HB2 ALA 37 2HB ALA 37 -7.213 8.040 -2.355 248 HB3 ALA 37 3HB ALA 37 -6.474 7.118 -3.687 249 H LEU 38 H LEU 38 -6.113 4.683 -0.934 250 HA LEU 38 HA LEU 38 -7.406 5.524 1.533 251 HB2 LEU 38 1HB LEU 38 -6.599 3.115 0.793 252 HB3 LEU 38 2HB LEU 38 -5.066 3.675 1.430 253 HG LEU 38 HG LEU 38 -6.061 4.073 3.617 254 HD11 LEU 38 1HD1 LEU 38 -8.440 3.200 3.995 255 HD12 LEU 38 2HD1 LEU 38 -8.254 4.782 3.201 256 HD13 LEU 38 3HD1 LEU 38 -8.638 3.340 2.231 257 HD21 LEU 38 1HD2 LEU 38 -6.962 1.577 3.928 258 HD22 LEU 38 2HD2 LEU 38 -6.226 1.401 2.317 259 HD23 LEU 38 3HD2 LEU 38 -5.240 1.959 3.690 260 H VAL 39 H VAL 39 -6.805 7.507 2.247 261 HA VAL 39 HA VAL 39 -4.224 8.555 1.607 262 HB VAL 39 HB VAL 39 -6.719 9.458 2.931 263 HG11 VAL 39 1HG1 VAL 39 -5.207 11.617 3.493 264 HG12 VAL 39 2HG1 VAL 39 -5.553 10.333 4.677 265 HG13 VAL 39 3HG1 VAL 39 -4.009 10.335 3.791 266 HG21 VAL 39 1HG2 VAL 39 -4.998 10.187 0.641 267 HG22 VAL 39 2HG2 VAL 39 -6.763 10.304 0.838 268 HG23 VAL 39 3HG2 VAL 39 -5.706 11.564 1.519 269 H LEU 40 H LEU 40 -2.410 7.850 2.606 270 HA LEU 40 HA LEU 40 -2.666 6.878 5.343 271 HB2 LEU 40 1HB LEU 40 -1.113 6.161 3.036 272 HB3 LEU 40 2HB LEU 40 -0.036 6.564 4.358 273 HG LEU 40 HG LEU 40 -1.184 4.926 5.804 274 HD11 LEU 40 1HD1 LEU 40 -3.404 4.922 4.936 275 HD12 LEU 40 2HD1 LEU 40 -2.845 4.393 3.331 276 HD13 LEU 40 3HD1 LEU 40 -2.743 3.283 4.719 277 HD21 LEU 40 1HD2 LEU 40 0.787 4.182 4.681 278 HD22 LEU 40 2HD2 LEU 40 -0.414 2.871 4.592 279 HD23 LEU 40 3HD2 LEU 40 -0.108 3.896 3.169 280 H GLY 41 H GLY 41 -1.004 7.547 6.956 281 HA2 GLY 41 1HA GLY 41 0.824 9.489 6.859 282 HA3 GLY 41 2HA GLY 41 -0.654 10.429 6.826 283 H ARG 42 H ARG 42 -0.101 11.333 8.933 284 HA ARG 42 HA ARG 42 0.421 9.759 11.130 285 HB2 ARG 42 1HB ARG 42 -0.130 12.562 10.553 286 HB3 ARG 42 2HB ARG 42 -0.987 12.101 12.010 287 HG2 ARG 42 1HG ARG 42 1.299 10.982 12.714 288 HG3 ARG 42 2HG ARG 42 1.997 11.997 11.468 289 HD2 ARG 42 1HD ARG 42 2.170 13.395 13.349 290 HD3 ARG 42 2HD ARG 42 0.663 13.952 12.649 291 HE ARG 42 HE ARG 42 0.280 11.762 14.550 292 HH11 ARG 42 2HH2 ARG 42 0.646 15.247 14.230 293 HH12 ARG 42 1HH2 ARG 42 -0.164 15.598 15.720 294 HH21 ARG 42 2HH1 ARG 42 -0.789 12.224 16.516 295 HH22 ARG 42 1HH1 ARG 42 -0.986 13.866 17.029 296 H GLY 43 H GLY 43 -0.932 8.948 12.841 297 HA2 GLY 43 1HA GLY 43 -3.254 9.129 13.767 298 HA3 GLY 43 2HA GLY 43 -3.801 8.809 12.133 299 HA PRO 44 HA PRO 44 -3.269 4.790 14.215 300 HB2 PRO 44 1HB PRO 44 -5.837 3.885 13.981 301 HB3 PRO 44 2HB PRO 44 -5.231 4.687 15.416 302 HG2 PRO 44 1HG PRO 44 -7.017 5.749 13.313 303 HG3 PRO 44 2HG PRO 44 -6.745 6.359 14.934 304 HD2 PRO 44 1HD PRO 44 -5.688 7.437 12.495 305 HD3 PRO 44 2HD PRO 44 -5.324 7.974 14.123 306 H LEU 45 H LEU 45 -3.838 5.988 11.234 307 HA LEU 45 HA LEU 45 -4.519 3.707 9.794 308 HB2 LEU 45 1HB LEU 45 -3.285 6.346 9.222 309 HB3 LEU 45 2HB LEU 45 -3.067 5.093 8.017 310 HG LEU 45 HG LEU 45 -4.994 6.546 7.544 311 HD11 LEU 45 1HD1 LEU 45 -6.420 4.864 6.800 312 HD12 LEU 45 2HD1 LEU 45 -4.852 4.036 6.953 313 HD13 LEU 45 3HD1 LEU 45 -6.096 3.824 8.208 314 HD21 LEU 45 1HD2 LEU 45 -5.542 6.164 10.323 315 HD22 LEU 45 2HD2 LEU 45 -6.350 7.237 9.154 316 HD23 LEU 45 3HD2 LEU 45 -6.929 5.569 9.380 317 H THR 46 H THR 46 -1.224 5.177 10.267 318 HA THR 46 HA THR 46 -0.152 2.447 9.970 319 HB THR 46 HB THR 46 1.794 3.520 8.876 320 HG1 THR 46 1HG THR 46 0.179 5.945 9.170 321 HG21 THR 46 1HG2 THR 46 0.403 3.265 7.037 322 HG22 THR 46 2HG2 THR 46 -0.977 4.037 7.855 323 HG23 THR 46 3HG2 THR 46 0.307 5.039 7.137 324 H GLN 47 H GLN 47 -1.033 4.449 12.305 325 HA GLN 47 HA GLN 47 -0.431 4.735 14.371 326 HB2 GLN 47 1HB GLN 47 1.515 2.512 13.675 327 HB3 GLN 47 2HB GLN 47 1.528 3.245 15.267 328 HG2 GLN 47 1HG GLN 47 -1.193 2.524 14.323 329 HG3 GLN 47 2HG GLN 47 -0.121 1.146 14.475 330 HE21 GLN 47 1HE2 GLN 47 -2.229 1.204 16.073 331 HE22 GLN 47 2HE2 GLN 47 -1.817 1.564 17.716 332 H VAL 48 H VAL 48 0.944 6.119 11.960 333 HA VAL 48 HA VAL 48 3.516 6.839 13.032 334 HB VAL 48 HB VAL 48 1.897 7.704 10.636 335 HG11 VAL 48 1HG1 VAL 48 3.116 9.649 11.089 336 HG12 VAL 48 2HG1 VAL 48 4.529 8.743 11.683 337 HG13 VAL 48 3HG1 VAL 48 4.155 8.768 9.943 338 HG21 VAL 48 1HG2 VAL 48 4.468 6.103 10.864 339 HG22 VAL 48 2HG2 VAL 48 2.849 5.430 10.557 340 HG23 VAL 48 3HG2 VAL 48 3.606 6.509 9.361 341 H THR 49 H THR 49 4.031 8.663 14.198 342 HA THR 49 HA THR 49 1.870 10.615 14.600 343 HB THR 49 HB THR 49 2.531 10.622 17.036 344 HG1 THR 49 1HG THR 49 4.713 9.679 16.375 345 HG21 THR 49 1HG2 THR 49 0.714 8.999 16.152 346 HG22 THR 49 2HG2 THR 49 1.984 7.752 16.143 347 HG23 THR 49 3HG2 THR 49 1.506 8.525 17.674 348 H ASP 50 H ASP 50 4.231 10.554 12.781 349 HA ASP 50 HA ASP 50 6.022 12.398 14.048 350 HB2 ASP 50 1HB ASP 50 6.984 10.744 12.543 351 HB3 ASP 50 2HB ASP 50 5.863 11.167 11.265 352 H ARG 51 H ARG 51 5.863 14.649 13.795 353 HA ARG 51 HA ARG 51 3.609 15.785 12.797 354 HB2 ARG 51 1HB ARG 51 6.415 16.927 13.187 355 HB3 ARG 51 2HB ARG 51 5.052 17.939 12.752 356 HG2 ARG 51 1HG ARG 51 3.842 17.272 14.796 357 HG3 ARG 51 2HG ARG 51 5.099 16.123 15.208 358 HD2 ARG 51 1HD ARG 51 6.065 18.911 14.747 359 HD3 ARG 51 2HD ARG 51 5.006 18.723 16.131 360 HE ARG 51 HE ARG 51 6.839 16.600 16.310 361 HH11 ARG 51 2HH2 ARG 51 7.001 20.114 16.266 362 HH12 ARG 51 1HH2 ARG 51 8.440 20.188 17.228 363 HH21 ARG 51 2HH1 ARG 51 8.737 16.695 17.579 364 HH22 ARG 51 1HH1 ARG 51 9.434 18.230 17.980 365 H LYS 52 H LYS 52 6.823 15.265 11.223 366 HA LYS 52 HA LYS 52 6.398 16.704 8.914 367 HB2 LYS 52 1HB LYS 52 7.995 14.170 9.384 368 HB3 LYS 52 2HB LYS 52 8.090 15.136 7.925 369 HG2 LYS 52 1HG LYS 52 8.337 16.887 10.231 370 HG3 LYS 52 2HG LYS 52 9.465 15.557 10.405 371 HD2 LYS 52 1HD LYS 52 10.052 16.055 7.871 372 HD3 LYS 52 2HD LYS 52 9.293 17.606 8.174 373 HE2 LYS 52 1HE LYS 52 10.880 18.167 9.904 374 HE3 LYS 52 2HE LYS 52 11.462 16.517 10.015 375 HZ1 LYS 52 1HZ LYS 52 12.973 17.826 8.754 376 HZ2 LYS 52 2HZ LYS 52 12.278 16.752 7.740 377 HZ3 LYS 52 3HZ LYS 52 11.809 18.316 7.718 378 H CYS 53 H CYS 53 5.024 13.633 9.994 379 HA CYS 53 HA CYS 53 4.158 12.890 7.377 380 HB2 CYS 53 1HB CYS 53 4.312 11.649 9.963 381 HB3 CYS 53 2HB CYS 53 2.665 11.512 9.381 382 HG CYS 53 HG CYS 53 3.010 10.162 7.378 383 H SER 54 H SER 54 2.329 13.661 6.365 384 HA SER 54 HA SER 54 0.535 15.235 8.020 385 HB2 SER 54 1HB SER 54 1.760 15.921 5.688 386 HB3 SER 54 2HB SER 54 0.283 15.239 5.035 387 HG SER 54 HG SER 54 -0.914 16.697 6.496 388 H ARG 55 H ARG 55 -1.729 14.807 8.059 389 HA ARG 55 HA ARG 55 -2.593 12.336 8.101 390 HB2 ARG 55 1HB ARG 55 -4.125 14.786 7.103 391 HB3 ARG 55 2HB ARG 55 -4.915 13.273 7.501 392 HG2 ARG 55 1HG ARG 55 -3.918 13.408 9.823 393 HG3 ARG 55 2HG ARG 55 -3.240 14.970 9.411 394 HD2 ARG 55 1HD ARG 55 -5.200 15.872 10.144 395 HD3 ARG 55 2HD ARG 55 -5.921 15.264 8.667 396 HE ARG 55 HE ARG 55 -5.837 13.149 10.612 397 HH11 ARG 55 2HH2 ARG 55 -7.530 16.155 9.922 398 HH12 ARG 55 1HH2 ARG 55 -8.972 15.683 10.756 399 HH21 ARG 55 2HH1 ARG 55 -7.740 12.525 11.712 400 HH22 ARG 55 1HH1 ARG 55 -9.093 13.604 11.782 401 H ASN 56 H ASN 56 -2.261 14.368 5.157 402 HA ASN 56 HA ASN 56 -2.939 11.991 3.608 403 HB2 ASN 56 1HB ASN 56 -3.270 14.034 1.802 404 HB3 ASN 56 2HB ASN 56 -4.580 13.389 2.771 405 HD21 ASN 56 1HD2 ASN 56 -1.780 15.400 3.640 406 HD22 ASN 56 2HD2 ASN 56 -2.662 16.748 4.275 407 H GLN 57 H GLN 57 -0.414 11.834 4.239 408 HA GLN 57 HA GLN 57 1.314 13.610 2.918 409 HB2 GLN 57 1HB GLN 57 2.155 12.467 4.846 410 HB3 GLN 57 2HB GLN 57 1.674 10.897 4.235 411 HG2 GLN 57 1HG GLN 57 4.112 11.203 3.985 412 HG3 GLN 57 2HG GLN 57 3.354 11.062 2.412 413 HE21 GLN 57 1HE2 GLN 57 5.236 12.090 1.583 414 HE22 GLN 57 2HE2 GLN 57 5.414 13.813 1.623 415 H VAL 58 H VAL 58 -0.261 10.518 2.081 416 HA VAL 58 HA VAL 58 0.517 10.928 -0.669 417 HB VAL 58 HB VAL 58 1.205 8.434 -0.730 418 HG11 VAL 58 1HG1 VAL 58 3.177 10.334 0.563 419 HG12 VAL 58 2HG1 VAL 58 3.498 9.031 -0.606 420 HG13 VAL 58 3HG1 VAL 58 2.641 10.502 -1.126 421 HG21 VAL 58 1HG2 VAL 58 0.742 8.688 2.036 422 HG22 VAL 58 2HG2 VAL 58 1.477 7.312 1.180 423 HG23 VAL 58 3HG2 VAL 58 2.510 8.598 1.848 424 H GLU 59 H GLU 59 -0.611 9.142 -2.064 425 HA GLU 59 HA GLU 59 -3.088 8.394 -0.726 426 HB2 GLU 59 1HB GLU 59 -3.300 10.461 -2.227 427 HB3 GLU 59 2HB GLU 59 -2.942 9.421 -3.590 428 HG2 GLU 59 1HG GLU 59 -5.008 8.411 -3.541 429 HG3 GLU 59 2HG GLU 59 -5.059 8.360 -1.790 430 H LEU 60 H LEU 60 -2.946 6.183 -0.608 431 HA LEU 60 HA LEU 60 -1.685 4.766 -2.805 432 HB2 LEU 60 1HB LEU 60 -2.497 4.083 -0.002 433 HB3 LEU 60 2HB LEU 60 -2.219 2.806 -1.169 434 HG LEU 60 HG LEU 60 0.040 4.358 -1.471 435 HD11 LEU 60 1HD1 LEU 60 -0.291 5.812 0.339 436 HD12 LEU 60 2HD1 LEU 60 -0.870 4.506 1.401 437 HD13 LEU 60 3HD1 LEU 60 0.849 4.585 0.945 438 HD21 LEU 60 1HD2 LEU 60 0.714 2.239 -1.359 439 HD22 LEU 60 2HD2 LEU 60 0.767 2.447 0.408 440 HD23 LEU 60 3HD2 LEU 60 -0.684 1.764 -0.365 441 H ILE 61 H ILE 61 -2.743 3.309 -4.172 442 HA ILE 61 HA ILE 61 -5.611 2.995 -3.772 443 HB ILE 61 HB ILE 61 -4.297 4.329 -6.117 444 HG12 ILE 61 1HG1 ILE 61 -6.905 5.034 -4.778 445 HG13 ILE 61 2HG1 ILE 61 -5.373 5.538 -4.093 446 HG21 ILE 61 1HG2 ILE 61 -6.962 3.915 -6.830 447 HG22 ILE 61 2HG2 ILE 61 -5.523 3.153 -7.550 448 HG23 ILE 61 3HG2 ILE 61 -6.401 2.334 -6.236 449 HD11 ILE 61 1HD1 ILE 61 -5.641 7.347 -5.476 450 HD12 ILE 61 2HD1 ILE 61 -4.982 6.251 -6.714 451 HD13 ILE 61 3HD1 ILE 61 -6.742 6.472 -6.567 452 H ALA 62 H ALA 62 -5.998 0.854 -3.799 453 HA ALA 62 HA ALA 62 -4.034 -0.935 -4.836 454 HB1 ALA 62 1HB ALA 62 -6.441 -1.002 -3.171 455 HB2 ALA 62 2HB ALA 62 -6.377 -2.371 -4.308 456 HB3 ALA 62 3HB ALA 62 -5.032 -2.090 -3.177 457 H ASP 63 H ASP 63 -3.896 -1.806 -6.852 458 HA ASP 63 HA ASP 63 -6.263 -1.491 -8.525 459 HB2 ASP 63 1HB ASP 63 -4.224 0.034 -9.032 460 HB3 ASP 63 2HB ASP 63 -3.385 -1.424 -9.525 461 HA PRO 64 HA PRO 64 -5.079 -5.861 -8.442 462 HB2 PRO 64 1HB PRO 64 -7.609 -6.892 -8.387 463 HB3 PRO 64 2HB PRO 64 -6.685 -6.542 -6.940 464 HG2 PRO 64 1HG PRO 64 -8.949 -5.039 -8.101 465 HG3 PRO 64 2HG PRO 64 -8.300 -4.964 -6.474 466 HD2 PRO 64 1HD PRO 64 -7.892 -3.054 -8.575 467 HD3 PRO 64 2HD PRO 64 -7.151 -3.040 -6.987 468 H GLU 65 H GLU 65 -6.293 -3.818 -10.643 469 HA GLU 65 HA GLU 65 -7.217 -5.663 -12.541 470 HB2 GLU 65 1HB GLU 65 -6.631 -2.760 -12.409 471 HB3 GLU 65 2HB GLU 65 -6.395 -3.452 -14.002 472 HG2 GLU 65 1HG GLU 65 -8.640 -3.332 -14.304 473 HG3 GLU 65 2HG GLU 65 -8.810 -4.608 -13.115 474 H SER 66 H SER 66 -4.058 -3.967 -12.023 475 HA SER 66 HA SER 66 -2.895 -5.991 -13.770 476 HB2 SER 66 1HB SER 66 -2.429 -3.006 -13.671 477 HB3 SER 66 2HB SER 66 -1.110 -4.056 -14.152 478 HG SER 66 HG SER 66 -2.310 -4.809 -15.919 479 H ARG 67 H ARG 67 -3.330 -5.801 -10.770 480 HA ARG 67 HA ARG 67 -2.269 -6.079 -8.903 481 HB2 ARG 67 1HB ARG 67 -0.176 -7.240 -10.802 482 HB3 ARG 67 2HB ARG 67 -0.035 -7.376 -9.060 483 HG2 ARG 67 1HG ARG 67 -2.563 -8.268 -10.498 484 HG3 ARG 67 2HG ARG 67 -1.178 -9.333 -10.369 485 HD2 ARG 67 1HD ARG 67 -1.614 -8.232 -7.752 486 HD3 ARG 67 2HD ARG 67 -3.183 -8.721 -8.360 487 HE ARG 67 HE ARG 67 -1.051 -10.484 -7.548 488 HH11 ARG 67 2HH2 ARG 67 -3.619 -10.186 -9.935 489 HH12 ARG 67 1HH2 ARG 67 -3.787 -11.896 -10.155 490 HH21 ARG 67 2HH1 ARG 67 -1.272 -12.740 -7.838 491 HH22 ARG 67 1HH1 ARG 67 -2.443 -13.359 -8.954 492 H THR 68 H THR 68 -2.119 -3.467 -9.443 493 HA THR 68 HA THR 68 0.605 -2.756 -8.645 494 HB THR 68 HB THR 68 0.227 -0.723 -10.294 495 HG1 THR 68 1HG THR 68 -1.857 -1.130 -11.055 496 HG21 THR 68 1HG2 THR 68 0.777 -3.582 -11.234 497 HG22 THR 68 2HG2 THR 68 0.938 -2.167 -12.303 498 HG23 THR 68 3HG2 THR 68 1.975 -2.319 -10.864 499 H VAL 69 H VAL 69 0.615 -0.315 -7.969 500 HA VAL 69 HA VAL 69 -1.944 0.394 -6.768 501 HB VAL 69 HB VAL 69 0.641 0.058 -5.235 502 HG11 VAL 69 1HG1 VAL 69 -2.071 0.991 -4.236 503 HG12 VAL 69 2HG1 VAL 69 -0.588 0.792 -3.272 504 HG13 VAL 69 3HG1 VAL 69 -0.669 2.047 -4.532 505 HG21 VAL 69 1HG2 VAL 69 -0.424 -1.723 -4.050 506 HG22 VAL 69 2HG2 VAL 69 -1.992 -1.387 -4.823 507 HG23 VAL 69 3HG2 VAL 69 -0.648 -2.044 -5.787 508 H ALA 70 H ALA 70 -2.342 2.547 -6.993 509 HA ALA 70 HA ALA 70 -0.251 4.137 -8.198 510 HB1 ALA 70 1HB ALA 70 -3.122 4.017 -8.227 511 HB2 ALA 70 2HB ALA 70 -2.629 5.636 -7.677 512 HB3 ALA 70 3HB ALA 70 -2.041 5.009 -9.235 513 H VAL 71 H VAL 71 0.611 6.075 -7.307 514 HA VAL 71 HA VAL 71 -0.039 6.525 -4.487 515 HB VAL 71 HB VAL 71 2.667 6.079 -5.735 516 HG11 VAL 71 1HG1 VAL 71 1.996 7.508 -3.148 517 HG12 VAL 71 2HG1 VAL 71 3.588 6.783 -3.478 518 HG13 VAL 71 3HG1 VAL 71 2.977 8.098 -4.511 519 HG21 VAL 71 1HG2 VAL 71 1.009 4.759 -3.612 520 HG22 VAL 71 2HG2 VAL 71 1.974 4.037 -4.922 521 HG23 VAL 71 3HG2 VAL 71 2.784 4.701 -3.483 522 H LYS 72 H LYS 72 -0.148 8.686 -3.900 523 HA LYS 72 HA LYS 72 0.889 10.649 -5.767 524 HB2 LYS 72 1HB LYS 72 -1.295 10.308 -6.691 525 HB3 LYS 72 2HB LYS 72 -2.052 10.358 -5.112 526 HG2 LYS 72 1HG LYS 72 -1.983 12.659 -4.996 527 HG3 LYS 72 2HG LYS 72 -0.410 12.759 -5.761 528 HD2 LYS 72 1HD LYS 72 -1.496 13.461 -7.631 529 HD3 LYS 72 2HD LYS 72 -2.033 11.805 -7.830 530 HE2 LYS 72 1HE LYS 72 -4.185 12.332 -7.292 531 HE3 LYS 72 2HE LYS 72 -3.694 13.218 -5.863 532 HZ1 LYS 72 1HZ LYS 72 -3.417 14.324 -8.565 533 HZ2 LYS 72 2HZ LYS 72 -4.754 14.546 -7.654 534 HZ3 LYS 72 3HZ LYS 72 -3.314 15.124 -7.145 535 H GLN 73 H GLN 73 1.898 12.227 -4.639 536 HA GLN 73 HA GLN 73 1.579 12.184 -1.797 537 HB2 GLN 73 1HB GLN 73 3.835 12.377 -2.530 538 HB3 GLN 73 2HB GLN 73 3.445 13.603 -3.719 539 HG2 GLN 73 1HG GLN 73 3.010 15.263 -1.977 540 HG3 GLN 73 2HG GLN 73 3.125 14.050 -0.717 541 HE21 GLN 73 1HE2 GLN 73 4.629 16.518 -1.137 542 HE22 GLN 73 2HE2 GLN 73 6.308 16.098 -1.194 543 H LEU 74 H LEU 74 0.127 13.435 -0.710 544 HA LEU 74 HA LEU 74 -0.835 15.837 -2.098 545 HB2 LEU 74 1HB LEU 74 -2.425 14.809 0.139 546 HB3 LEU 74 2HB LEU 74 -2.921 15.386 -1.440 547 HG LEU 74 HG LEU 74 -1.583 12.715 -1.275 548 HD11 LEU 74 1HD1 LEU 74 -3.042 12.256 0.447 549 HD12 LEU 74 2HD1 LEU 74 -4.292 13.366 -0.164 550 HD13 LEU 74 3HD1 LEU 74 -4.016 11.804 -0.973 551 HD21 LEU 74 1HD2 LEU 74 -2.322 13.933 -3.413 552 HD22 LEU 74 2HD2 LEU 74 -2.784 12.225 -3.219 553 HD23 LEU 74 3HD2 LEU 74 -3.979 13.510 -2.921 554 H GLY 75 H GLY 75 1.367 14.845 0.176 555 HA2 GLY 75 1HA GLY 75 0.783 16.924 2.143 556 HA3 GLY 75 2HA GLY 75 2.026 15.691 2.227 557 H VAL 76 H VAL 76 3.791 17.075 2.634 558 HA VAL 76 HA VAL 76 4.438 18.871 0.398 559 HB VAL 76 HB VAL 76 3.960 20.336 2.115 560 HG11 VAL 76 1HG1 VAL 76 5.382 18.538 4.107 561 HG12 VAL 76 2HG1 VAL 76 4.472 20.026 4.463 562 HG13 VAL 76 3HG1 VAL 76 3.621 18.587 3.854 563 HG21 VAL 76 1HG2 VAL 76 6.873 19.840 2.752 564 HG22 VAL 76 2HG2 VAL 76 6.351 20.486 1.177 565 HG23 VAL 76 3HG2 VAL 76 5.992 21.384 2.672 566 H ASN 77 H ASN 77 5.748 16.892 3.144 567 HA ASN 77 HA ASN 77 8.351 16.911 2.338 568 HB2 ASN 77 1HB ASN 77 6.645 14.877 3.827 569 HB3 ASN 77 2HB ASN 77 8.326 14.516 3.488 570 HD21 ASN 77 1HD2 ASN 77 6.099 16.255 5.404 571 HD22 ASN 77 2HD2 ASN 77 7.208 17.095 6.435 572 HA PRO 78 HA PRO 78 8.192 14.345 -1.227 573 HB2 PRO 78 1HB PRO 78 10.857 13.846 -1.568 574 HB3 PRO 78 2HB PRO 78 10.081 15.321 -2.109 575 HG2 PRO 78 1HG PRO 78 11.845 14.904 0.226 576 HG3 PRO 78 2HG PRO 78 11.413 16.404 -0.569 577 HD2 PRO 78 1HD PRO 78 10.376 15.419 1.917 578 HD3 PRO 78 2HD PRO 78 9.861 16.861 1.064 579 H SER 79 H SER 79 7.388 12.360 -1.422 580 HA SER 79 HA SER 79 8.333 10.493 0.554 581 HB2 SER 79 1HB SER 79 6.011 10.567 -1.388 582 HB3 SER 79 2HB SER 79 6.475 9.047 -0.649 583 HG SER 79 HG SER 79 5.300 9.681 1.019 584 H THR 80 H THR 80 8.888 8.205 -0.139 585 HA THR 80 HA THR 80 10.179 8.224 -2.789 586 HB THR 80 HB THR 80 11.099 6.900 -0.182 587 HG1 THR 80 1HG THR 80 11.207 9.316 -0.405 588 HG21 THR 80 1HG2 THR 80 11.915 5.741 -2.264 589 HG22 THR 80 2HG2 THR 80 12.505 7.305 -2.875 590 HG23 THR 80 3HG2 THR 80 13.232 6.587 -1.418 591 H VAL 81 H VAL 81 9.356 6.835 -4.210 592 HA VAL 81 HA VAL 81 7.746 4.644 -3.126 593 HB VAL 81 HB VAL 81 7.843 6.003 -5.823 594 HG11 VAL 81 1HG1 VAL 81 7.061 4.108 -6.714 595 HG12 VAL 81 2HG1 VAL 81 6.918 3.337 -5.116 596 HG13 VAL 81 3HG1 VAL 81 5.590 4.345 -5.741 597 HG21 VAL 81 1HG2 VAL 81 6.686 7.322 -4.167 598 HG22 VAL 81 2HG2 VAL 81 5.480 6.589 -5.252 599 HG23 VAL 81 3HG2 VAL 81 5.747 5.908 -3.630 600 H GLY 82 H GLY 82 9.397 3.165 -2.569 601 HA2 GLY 82 1HA GLY 82 10.534 1.266 -3.141 602 HA3 GLY 82 2HA GLY 82 10.479 1.718 -4.833 603 H VAL 83 H VAL 83 12.109 3.089 -5.742 604 HA VAL 83 HA VAL 83 14.291 3.779 -3.913 605 HB VAL 83 HB VAL 83 14.747 1.619 -5.041 606 HG11 VAL 83 1HG1 VAL 83 13.738 2.998 -7.326 607 HG12 VAL 83 2HG1 VAL 83 15.436 2.570 -7.649 608 HG13 VAL 83 3HG1 VAL 83 14.269 1.305 -7.194 609 HG21 VAL 83 1HG2 VAL 83 16.909 2.759 -6.306 610 HG22 VAL 83 2HG2 VAL 83 16.418 4.037 -5.168 611 HG23 VAL 83 3HG2 VAL 83 16.799 2.406 -4.565 612 H GLN 84 H GLN 84 11.938 5.167 -5.345 613 HA GLN 84 HA GLN 84 13.628 7.112 -6.711 614 HB2 GLN 84 1HB GLN 84 12.335 6.056 -8.440 615 HB3 GLN 84 2HB GLN 84 10.870 6.094 -7.480 616 HG2 GLN 84 1HG GLN 84 10.551 8.413 -7.799 617 HG3 GLN 84 2HG GLN 84 12.245 8.707 -8.139 618 HE21 GLN 84 1HE2 GLN 84 10.056 9.594 -9.685 619 HE22 GLN 84 2HE2 GLN 84 10.147 8.882 -11.262 620 H GLU 85 H GLU 85 13.037 9.363 -6.417 621 HA GLU 85 HA GLU 85 11.565 9.717 -3.954 622 HB2 GLU 85 1HB GLU 85 13.915 10.872 -5.038 623 HB3 GLU 85 2HB GLU 85 12.722 12.155 -5.073 624 HG2 GLU 85 1HG GLU 85 13.081 12.472 -2.857 625 HG3 GLU 85 2HG GLU 85 12.341 10.911 -2.559 626 H LEU 86 H LEU 86 9.723 11.076 -3.763 627 HA LEU 86 HA LEU 86 8.505 11.735 -6.347 628 HB2 LEU 86 1HB LEU 86 7.387 10.924 -3.681 629 HB3 LEU 86 2HB LEU 86 6.402 11.803 -4.834 630 HG LEU 86 HG LEU 86 7.563 9.034 -5.070 631 HD11 LEU 86 1HD1 LEU 86 5.445 8.955 -4.098 632 HD12 LEU 86 2HD1 LEU 86 4.806 10.245 -5.145 633 HD13 LEU 86 3HD1 LEU 86 5.132 8.631 -5.821 634 HD21 LEU 86 1HD2 LEU 86 6.580 9.110 -7.454 635 HD22 LEU 86 2HD2 LEU 86 6.751 10.876 -7.309 636 HD23 LEU 86 3HD2 LEU 86 8.183 9.829 -7.168 637 H LYS 87 H LYS 87 6.604 13.580 -5.593 638 HA LYS 87 HA LYS 87 8.006 15.655 -4.118 639 HB2 LYS 87 1HB LYS 87 7.678 15.618 -7.044 640 HB3 LYS 87 2HB LYS 87 7.080 17.080 -6.286 641 HG2 LYS 87 1HG LYS 87 9.185 17.690 -5.458 642 HG3 LYS 87 2HG LYS 87 9.755 16.035 -5.371 643 HD2 LYS 87 1HD LYS 87 9.205 16.546 -8.132 644 HD3 LYS 87 2HD LYS 87 10.059 17.955 -7.536 645 HE2 LYS 87 1HE LYS 87 11.663 16.138 -6.413 646 HE3 LYS 87 2HE LYS 87 10.991 15.077 -7.635 647 HZ1 LYS 87 1HZ LYS 87 12.161 16.094 -9.190 648 HZ2 LYS 87 2HZ LYS 87 11.740 17.594 -8.699 649 HZ3 LYS 87 3HZ LYS 87 13.005 16.831 -8.002 650 HA PRO 88 HA PRO 88 3.988 16.710 -2.939 651 HB2 PRO 88 1HB PRO 88 3.973 19.439 -2.787 652 HB3 PRO 88 2HB PRO 88 4.691 18.414 -1.560 653 HG2 PRO 88 1HG PRO 88 6.032 20.046 -3.629 654 HG3 PRO 88 2HG PRO 88 6.704 19.370 -2.158 655 HD2 PRO 88 1HD PRO 88 7.067 18.377 -4.825 656 HD3 PRO 88 2HD PRO 88 7.641 17.637 -3.344 657 H GLY 89 H GLY 89 2.652 15.848 -4.498 658 HA2 GLY 89 1HA GLY 89 0.698 16.709 -5.670 659 HA3 GLY 89 2HA GLY 89 1.741 17.888 -6.438 660 H LEU 90 H LEU 90 3.585 15.087 -6.111 661 HA LEU 90 HA LEU 90 3.199 14.474 -8.910 662 HB2 LEU 90 1HB LEU 90 5.407 14.720 -7.421 663 HB3 LEU 90 2HB LEU 90 5.138 13.001 -7.205 664 HG LEU 90 HG LEU 90 5.403 12.541 -9.504 665 HD11 LEU 90 1HD1 LEU 90 4.145 14.057 -10.698 666 HD12 LEU 90 2HD1 LEU 90 4.872 15.468 -9.891 667 HD13 LEU 90 3HD1 LEU 90 5.800 14.565 -11.112 668 HD21 LEU 90 1HD2 LEU 90 7.408 13.915 -8.052 669 HD22 LEU 90 2HD2 LEU 90 7.607 12.738 -9.373 670 HD23 LEU 90 3HD2 LEU 90 7.506 14.477 -9.738 671 H SER 91 H SER 91 3.622 11.840 -9.226 672 HA SER 91 HA SER 91 2.074 10.343 -7.371 673 HB2 SER 91 1HB SER 91 0.885 10.082 -10.076 674 HB3 SER 91 2HB SER 91 0.103 10.089 -8.508 675 HG SER 91 HG SER 91 -0.010 12.036 -10.227 676 H GLY 92 H GLY 92 2.532 8.104 -7.573 677 HA2 GLY 92 1HA GLY 92 4.074 7.279 -9.944 678 HA3 GLY 92 2HA GLY 92 4.734 7.037 -8.339 679 H SER 93 H SER 93 4.667 4.693 -9.151 680 HA SER 93 HA SER 93 2.091 3.600 -8.362 681 HB2 SER 93 1HB SER 93 3.159 3.507 -10.991 682 HB3 SER 93 2HB SER 93 3.425 1.905 -10.331 683 HG SER 93 HG SER 93 1.148 2.867 -11.322 684 H LEU 94 H LEU 94 2.229 1.534 -7.260 685 HA LEU 94 HA LEU 94 4.980 0.804 -6.530 686 HB2 LEU 94 1HB LEU 94 2.755 1.632 -4.894 687 HB3 LEU 94 2HB LEU 94 3.226 -0.006 -4.484 688 HG LEU 94 HG LEU 94 5.657 1.337 -4.637 689 HD11 LEU 94 1HD1 LEU 94 5.529 3.407 -3.602 690 HD12 LEU 94 2HD1 LEU 94 4.139 3.439 -4.713 691 HD13 LEU 94 3HD1 LEU 94 3.886 3.115 -2.982 692 HD21 LEU 94 1HD2 LEU 94 5.797 0.950 -2.284 693 HD22 LEU 94 2HD2 LEU 94 4.025 0.900 -2.126 694 HD23 LEU 94 3HD2 LEU 94 4.877 -0.393 -3.003 695 H SER 95 H SER 95 5.562 -1.289 -6.887 696 HA SER 95 HA SER 95 3.455 -2.985 -7.924 697 HB2 SER 95 1HB SER 95 6.462 -3.473 -7.984 698 HB3 SER 95 2HB SER 95 5.242 -4.306 -8.927 699 HG SER 95 HG SER 95 6.174 -1.594 -9.190 700 H LEU 96 H LEU 96 3.650 -5.413 -7.334 701 HA LEU 96 HA LEU 96 3.388 -5.710 -4.596 702 HB2 LEU 96 1HB LEU 96 3.268 -7.340 -6.973 703 HB3 LEU 96 2HB LEU 96 4.061 -8.217 -5.680 704 HG LEU 96 HG LEU 96 1.335 -6.906 -5.473 705 HD11 LEU 96 1HD1 LEU 96 0.521 -9.291 -5.417 706 HD12 LEU 96 2HD1 LEU 96 1.129 -8.721 -6.991 707 HD13 LEU 96 3HD1 LEU 96 2.140 -9.778 -5.975 708 HD21 LEU 96 1HD2 LEU 96 1.121 -7.801 -3.327 709 HD22 LEU 96 2HD2 LEU 96 2.500 -8.905 -3.542 710 HD23 LEU 96 3HD2 LEU 96 2.780 -7.157 -3.361 711 H GLY 97 H GLY 97 4.948 -5.299 -3.117 712 HA2 GLY 97 1HA GLY 97 6.853 -6.354 -2.054 713 HA3 GLY 97 2HA GLY 97 7.610 -6.485 -3.629 714 H ASP 98 H ASP 98 6.752 -3.823 -4.607 715 HA ASP 98 HA ASP 98 8.909 -2.362 -3.946 716 HB2 ASP 98 1HB ASP 98 6.137 -1.656 -4.916 717 HB3 ASP 98 2HB ASP 98 7.220 -0.343 -4.497 718 H VAL 99 H VAL 99 9.219 -0.461 -2.506 719 HA VAL 99 HA VAL 99 7.505 -0.624 -0.134 720 HB VAL 99 HB VAL 99 10.365 0.209 -0.592 721 HG11 VAL 99 1HG1 VAL 99 9.267 1.853 0.910 722 HG12 VAL 99 2HG1 VAL 99 8.791 0.518 1.987 723 HG13 VAL 99 3HG1 VAL 99 10.514 0.887 1.736 724 HG21 VAL 99 1HG2 VAL 99 8.961 -2.105 0.623 725 HG22 VAL 99 2HG2 VAL 99 10.546 -2.013 -0.183 726 HG23 VAL 99 3HG2 VAL 99 10.378 -1.499 1.513 727 H LEU 100 H LEU 100 6.978 1.439 0.975 728 HA LEU 100 HA LEU 100 7.085 3.754 -0.800 729 HB2 LEU 100 1HB LEU 100 4.980 2.811 -1.336 730 HB3 LEU 100 2HB LEU 100 4.597 2.505 0.347 731 HG LEU 100 HG LEU 100 4.477 4.952 0.750 732 HD11 LEU 100 1HD1 LEU 100 4.817 6.564 -0.836 733 HD12 LEU 100 2HD1 LEU 100 6.003 5.348 -1.370 734 HD13 LEU 100 3HD1 LEU 100 4.429 5.478 -2.192 735 HD21 LEU 100 1HD2 LEU 100 2.664 4.029 -1.494 736 HD22 LEU 100 2HD2 LEU 100 2.472 3.594 0.221 737 HD23 LEU 100 3HD2 LEU 100 2.327 5.293 -0.287 738 H TYR 101 H TYR 101 8.754 4.515 0.627 739 HA TYR 101 HA TYR 101 8.458 4.630 3.402 740 HB2 TYR 101 1HB TYR 101 9.903 6.410 1.340 741 HB3 TYR 101 2HB TYR 101 10.269 6.425 3.053 742 HD1 TYR 101 1HD TYR 101 11.089 4.210 4.118 743 HD2 TYR 101 2HD TYR 101 10.999 4.907 -0.102 744 HE1 TYR 101 1HE TYR 101 12.779 2.344 3.767 745 HE2 TYR 101 2HE TYR 101 12.690 3.039 -0.439 746 HH TYR 101 HH TYR 101 14.595 1.905 1.814 747 H LEU 102 H LEU 102 6.529 5.468 4.199 748 HA LEU 102 HA LEU 102 4.965 7.405 3.259 749 HB2 LEU 102 1HB LEU 102 5.413 6.138 5.743 750 HB3 LEU 102 2HB LEU 102 5.305 7.855 6.078 751 HG LEU 102 HG LEU 102 3.198 7.005 4.258 752 HD11 LEU 102 1HD1 LEU 102 1.943 5.768 6.139 753 HD12 LEU 102 2HD1 LEU 102 3.161 4.873 5.199 754 HD13 LEU 102 3HD1 LEU 102 3.558 5.474 6.827 755 HD21 LEU 102 1HD2 LEU 102 1.845 8.341 5.597 756 HD22 LEU 102 2HD2 LEU 102 2.835 8.068 7.050 757 HD23 LEU 102 3HD2 LEU 102 3.446 9.106 5.739 758 H VAL 103 H VAL 103 7.796 8.063 5.447 759 HA VAL 103 HA VAL 103 8.492 10.363 3.926 760 HB VAL 103 HB VAL 103 6.492 11.131 5.232 761 HG11 VAL 103 1HG1 VAL 103 6.707 9.945 7.289 762 HG12 VAL 103 2HG1 VAL 103 8.348 10.578 7.564 763 HG13 VAL 103 3HG1 VAL 103 6.944 11.668 7.667 764 HG21 VAL 103 1HG2 VAL 103 7.355 13.257 5.508 765 HG22 VAL 103 2HG2 VAL 103 8.886 12.667 6.198 766 HG23 VAL 103 3HG2 VAL 103 8.584 12.524 4.450 767 H ASN 104 H ASN 104 10.296 11.625 5.303 768 HA ASN 104 HA ASN 104 12.366 11.419 5.962 769 HB2 ASN 104 1HB ASN 104 10.626 10.654 8.114 770 HB3 ASN 104 2HB ASN 104 12.010 9.583 8.207 771 HD21 ASN 104 1HD2 ASN 104 10.812 12.784 8.563 772 HD22 ASN 104 2HD2 ASN 104 12.247 13.548 9.160 773 H GLY 105 H GLY 105 11.529 9.393 3.998 774 HA2 GLY 105 1HA GLY 105 12.118 7.401 3.123 775 HA3 GLY 105 2HA GLY 105 13.682 7.729 3.843 776 H LEU 106 H LEU 106 10.888 7.464 5.986 777 HA LEU 106 HA LEU 106 11.799 4.770 6.725 778 HB2 LEU 106 1HB LEU 106 11.038 7.120 8.444 779 HB3 LEU 106 2HB LEU 106 10.969 5.476 9.049 780 HG LEU 106 HG LEU 106 13.430 6.924 8.036 781 HD11 LEU 106 1HD1 LEU 106 12.711 5.965 10.820 782 HD12 LEU 106 2HD1 LEU 106 14.207 6.799 10.336 783 HD13 LEU 106 3HD1 LEU 106 12.647 7.651 10.251 784 HD21 LEU 106 1HD2 LEU 106 13.783 4.702 7.380 785 HD22 LEU 106 2HD2 LEU 106 14.611 4.845 8.949 786 HD23 LEU 106 3HD2 LEU 106 13.022 4.049 8.851 787 H TYR 107 H TYR 107 9.779 4.076 8.490 788 HA TYR 107 HA TYR 107 7.797 3.065 8.404 789 HB2 TYR 107 1HB TYR 107 6.752 5.579 7.027 790 HB3 TYR 107 2HB TYR 107 6.023 4.702 8.358 791 HD1 TYR 107 1HD TYR 107 7.870 4.600 10.485 792 HD2 TYR 107 2HD TYR 107 7.384 7.726 7.604 793 HE1 TYR 107 1HE TYR 107 8.864 6.273 12.121 794 HE2 TYR 107 2HE TYR 107 8.379 9.388 9.251 795 HH TYR 107 HH TYR 107 8.716 8.721 12.502 796 HA PRO 108 HA PRO 108 7.924 2.347 3.880 797 HB2 PRO 108 1HB PRO 108 9.176 -0.082 3.848 798 HB3 PRO 108 2HB PRO 108 10.017 1.433 3.586 799 HG2 PRO 108 1HG PRO 108 10.014 -0.294 5.986 800 HG3 PRO 108 2HG PRO 108 11.147 0.967 5.542 801 HD2 PRO 108 1HD PRO 108 9.057 1.148 7.498 802 HD3 PRO 108 2HD PRO 108 10.115 2.443 6.971 803 H LEU 109 H LEU 109 6.084 1.710 2.954 804 HA LEU 109 HA LEU 109 4.658 -0.356 4.467 805 HB2 LEU 109 1HB LEU 109 3.750 1.920 2.723 806 HB3 LEU 109 2HB LEU 109 2.696 0.565 3.079 807 HG LEU 109 HG LEU 109 2.255 2.455 4.555 808 HD11 LEU 109 1HD1 LEU 109 3.317 0.832 6.668 809 HD12 LEU 109 2HD1 LEU 109 1.639 0.987 6.096 810 HD13 LEU 109 3HD1 LEU 109 2.723 -0.216 5.358 811 HD21 LEU 109 1HD2 LEU 109 3.895 3.190 6.228 812 HD22 LEU 109 2HD2 LEU 109 5.116 2.122 5.497 813 HD23 LEU 109 3HD2 LEU 109 4.458 3.489 4.566 814 H THR 110 H THR 110 5.740 -2.178 3.585 815 HA THR 110 HA THR 110 6.149 -2.520 0.824 816 HB THR 110 HB THR 110 5.851 -4.568 3.086 817 HG1 THR 110 1HG THR 110 8.221 -4.155 3.105 818 HG21 THR 110 1HG2 THR 110 6.040 -5.857 1.087 819 HG22 THR 110 2HG2 THR 110 7.052 -4.629 0.289 820 HG23 THR 110 3HG2 THR 110 7.735 -5.641 1.585 821 H LEU 111 H LEU 111 4.900 -3.189 -0.829 822 HA LEU 111 HA LEU 111 2.089 -3.466 -0.269 823 HB2 LEU 111 1HB LEU 111 2.598 -2.108 -2.100 824 HB3 LEU 111 2HB LEU 111 3.773 -3.237 -2.743 825 HG LEU 111 HG LEU 111 2.038 -4.754 -3.459 826 HD11 LEU 111 1HD1 LEU 111 -0.401 -3.516 -3.155 827 HD12 LEU 111 2HD1 LEU 111 0.208 -4.879 -2.186 828 HD13 LEU 111 3HD1 LEU 111 0.391 -3.212 -1.590 829 HD21 LEU 111 1HD2 LEU 111 2.544 -3.105 -5.078 830 HD22 LEU 111 2HD2 LEU 111 0.770 -3.234 -5.038 831 HD23 LEU 111 3HD2 LEU 111 1.581 -1.868 -4.235 832 H ARG 112 H ARG 112 0.966 -5.342 -0.087 833 HA ARG 112 HA ARG 112 2.329 -7.725 -1.039 834 HB2 ARG 112 1HB ARG 112 0.926 -7.301 1.640 835 HB3 ARG 112 2HB ARG 112 1.241 -8.903 1.004 836 HG2 ARG 112 1HG ARG 112 3.435 -6.812 1.355 837 HG3 ARG 112 2HG ARG 112 3.013 -7.959 2.610 838 HD2 ARG 112 1HD ARG 112 3.607 -9.855 1.188 839 HD3 ARG 112 2HD ARG 112 3.782 -8.821 -0.216 840 HE ARG 112 HE ARG 112 5.551 -7.790 1.726 841 HH11 ARG 112 2HH2 ARG 112 5.137 -10.799 -0.051 842 HH12 ARG 112 1HH2 ARG 112 6.822 -11.198 -0.020 843 HH21 ARG 112 2HH1 ARG 112 7.774 -8.315 1.766 844 HH22 ARG 112 1HH1 ARG 112 8.332 -9.775 1.020 845 H TRP 113 H TRP 113 0.789 -9.575 -1.485 846 HA TRP 113 HA TRP 113 -1.902 -8.548 -2.087 847 HB2 TRP 113 1HB TRP 113 -0.976 -8.819 -4.176 848 HB3 TRP 113 2HB TRP 113 0.007 -10.189 -3.698 849 HD1 TRP 113 HD TRP 113 -1.522 -12.574 -3.247 850 HE1 TRP 113 1HE TRP 113 -3.578 -13.565 -4.571 851 HE3 TRP 113 3HE TRP 113 -2.875 -8.200 -5.460 852 HZ2 TRP 113 2HZ TRP 113 -5.496 -12.434 -6.356 853 HZ3 TRP 113 3HZ TRP 113 -4.851 -8.230 -6.979 854 HH2 TRP 113 HH TRP 113 -6.146 -10.251 -7.440 855 H SER 114 H SER 114 -3.657 -10.029 -1.687 856 HA SER 114 HA SER 114 -2.900 -12.061 0.237 857 HB2 SER 114 1HB SER 114 -4.771 -10.119 0.458 858 HB3 SER 114 2HB SER 114 -5.774 -11.353 -0.280 859 HG SER 114 HG SER 114 -4.620 -11.263 2.294 860 H GLY 115 H GLY 115 -3.314 -14.260 -0.115 861 HA2 GLY 115 1HA GLY 115 -5.181 -15.449 -1.679 862 HA3 GLY 115 2HA GLY 115 -3.917 -15.042 -2.823 863 HA PRO 116 HA PRO 116 -2.845 -18.892 -0.460 864 HB2 PRO 116 1HB PRO 116 -3.619 -20.846 -2.207 865 HB3 PRO 116 2HB PRO 116 -4.591 -20.346 -0.837 866 HG2 PRO 116 1HG PRO 116 -4.976 -19.736 -3.704 867 HG3 PRO 116 2HG PRO 116 -6.131 -19.618 -2.392 868 HD2 PRO 116 1HD PRO 116 -4.734 -17.451 -3.649 869 HD3 PRO 116 2HD PRO 116 -5.800 -17.347 -2.262 870 H SER 117 H SER 117 -0.837 -19.791 -0.529 871 HA SER 117 HA SER 117 1.144 -20.191 -1.318 872 HB2 SER 117 1HB SER 117 -0.024 -21.623 -2.980 873 HB3 SER 117 2HB SER 117 -0.194 -20.253 -4.059 874 HG SER 117 HG SER 117 2.414 -21.009 -3.122 875 H SER 118 H SER 118 2.332 -18.338 -0.867 876 HA SER 118 HA SER 118 2.478 -16.428 -3.051 877 HB2 SER 118 1HB SER 118 2.267 -14.540 -1.634 878 HB3 SER 118 2HB SER 118 0.997 -15.621 -1.097 879 HG SER 118 HG SER 118 3.168 -14.653 0.300 880 H GLY 119 H GLY 119 4.594 -16.100 -3.662 881 HA2 GLY 119 1HA GLY 119 6.810 -15.453 -2.780 882 HA3 GLY 119 2HA GLY 119 6.686 -16.825 -1.697 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -20.992 -45.095 -21.098 2 HA2 GLY 1 1HA GLY 1 -23.341 -43.385 -20.569 3 HA3 GLY 1 2HA GLY 1 -21.675 -42.991 -20.193 4 H SER 2 H SER 2 -23.718 -41.545 -21.889 5 HA SER 2 HA SER 2 -22.246 -41.645 -24.405 6 HB2 SER 2 1HB SER 2 -24.242 -40.844 -25.522 7 HB3 SER 2 2HB SER 2 -24.694 -42.217 -24.531 8 HG SER 2 HG SER 2 -26.125 -40.266 -24.411 9 H SER 3 H SER 3 -21.452 -39.668 -25.287 10 HA SER 3 HA SER 3 -20.540 -37.698 -25.167 11 HB2 SER 3 1HB SER 3 -23.375 -37.337 -24.722 12 HB3 SER 3 2HB SER 3 -22.513 -36.115 -23.808 13 HG SER 3 HG SER 3 -22.729 -35.196 -25.811 14 H GLY 4 H GLY 4 -18.832 -38.158 -23.674 15 HA2 GLY 4 1HA GLY 4 -19.363 -37.276 -20.898 16 HA3 GLY 4 2HA GLY 4 -18.280 -38.587 -21.321 17 H SER 5 H SER 5 -18.332 -35.402 -20.389 18 HA SER 5 HA SER 5 -15.919 -34.816 -21.921 19 HB2 SER 5 1HB SER 5 -18.095 -33.292 -21.992 20 HB3 SER 5 2HB SER 5 -17.498 -32.694 -20.457 21 HG SER 5 HG SER 5 -16.132 -32.643 -23.007 22 H SER 6 H SER 6 -17.525 -34.074 -18.731 23 HA SER 6 HA SER 6 -16.766 -33.998 -16.700 24 HB2 SER 6 1HB SER 6 -15.018 -36.035 -17.944 25 HB3 SER 6 2HB SER 6 -14.294 -35.275 -16.541 26 HG SER 6 HG SER 6 -16.674 -35.723 -15.649 27 H GLY 7 H GLY 7 -15.021 -32.993 -15.267 28 HA2 GLY 7 1HA GLY 7 -13.674 -31.246 -14.832 29 HA3 GLY 7 2HA GLY 7 -12.700 -31.820 -16.172 30 H MET 8 H MET 8 -15.039 -29.437 -15.077 31 HA MET 8 HA MET 8 -14.348 -27.712 -17.160 32 HB2 MET 8 1HB MET 8 -16.404 -29.556 -17.820 33 HB3 MET 8 2HB MET 8 -17.273 -28.092 -17.400 34 HG2 MET 8 1HG MET 8 -14.910 -28.072 -19.330 35 HG3 MET 8 2HG MET 8 -16.552 -28.348 -19.874 36 HE1 MET 8 1HE MET 8 -18.573 -25.965 -18.558 37 HE2 MET 8 2HE MET 8 -18.207 -25.269 -20.155 38 HE3 MET 8 3HE MET 8 -18.274 -27.036 -19.948 39 H SER 9 H SER 9 -14.377 -25.750 -16.158 40 HA SER 9 HA SER 9 -16.693 -24.952 -14.733 41 HB2 SER 9 1HB SER 9 -15.421 -24.444 -12.590 42 HB3 SER 9 2HB SER 9 -15.734 -26.143 -12.883 43 HG SER 9 HG SER 9 -13.321 -25.276 -14.001 44 H GLN 10 H GLN 10 -16.298 -22.614 -13.805 45 HA GLN 10 HA GLN 10 -14.244 -21.320 -15.417 46 HB2 GLN 10 1HB GLN 10 -17.134 -21.011 -15.597 47 HB3 GLN 10 2HB GLN 10 -16.403 -19.486 -15.136 48 HG2 GLN 10 1HG GLN 10 -15.423 -21.179 -17.481 49 HG3 GLN 10 2HG GLN 10 -16.582 -19.876 -17.651 50 HE21 GLN 10 1HE2 GLN 10 -15.920 -17.836 -17.778 51 HE22 GLN 10 2HE2 GLN 10 -14.286 -17.282 -17.616 52 H LEU 11 H LEU 11 -12.793 -20.906 -13.739 53 HA LEU 11 HA LEU 11 -13.882 -19.286 -11.542 54 HB2 LEU 11 1HB LEU 11 -11.769 -21.436 -11.494 55 HB3 LEU 11 2HB LEU 11 -11.955 -20.256 -10.212 56 HG LEU 11 HG LEU 11 -14.475 -21.592 -10.873 57 HD11 LEU 11 1HD1 LEU 11 -13.664 -23.653 -11.198 58 HD12 LEU 11 2HD1 LEU 11 -12.055 -23.230 -10.564 59 HD13 LEU 11 3HD1 LEU 11 -13.372 -23.649 -9.442 60 HD21 LEU 11 1HD2 LEU 11 -14.888 -21.129 -8.737 61 HD22 LEU 11 2HD2 LEU 11 -13.420 -21.973 -8.189 62 HD23 LEU 11 3HD2 LEU 11 -13.328 -20.273 -8.711 63 H GLY 12 H GLY 12 -12.066 -17.891 -10.510 64 HA2 GLY 12 1HA GLY 12 -10.039 -17.083 -12.461 65 HA3 GLY 12 2HA GLY 12 -11.248 -15.899 -12.006 66 H SER 13 H SER 13 -8.168 -16.439 -11.445 67 HA SER 13 HA SER 13 -8.061 -16.726 -8.648 68 HB2 SER 13 1HB SER 13 -5.953 -15.545 -10.509 69 HB3 SER 13 2HB SER 13 -5.676 -16.200 -8.907 70 HG SER 13 HG SER 13 -6.158 -17.549 -11.360 71 H ARG 14 H ARG 14 -8.589 -15.188 -7.142 72 HA ARG 14 HA ARG 14 -8.096 -12.430 -7.894 73 HB2 ARG 14 1HB ARG 14 -10.645 -13.554 -6.636 74 HB3 ARG 14 2HB ARG 14 -10.265 -11.844 -6.633 75 HG2 ARG 14 1HG ARG 14 -10.011 -13.133 -9.302 76 HG3 ARG 14 2HG ARG 14 -11.637 -13.161 -8.650 77 HD2 ARG 14 1HD ARG 14 -11.703 -10.750 -8.436 78 HD3 ARG 14 2HD ARG 14 -9.975 -10.605 -8.693 79 HE ARG 14 HE ARG 14 -12.018 -10.885 -10.753 80 HH11 ARG 14 2HH2 ARG 14 -8.634 -11.501 -10.008 81 HH12 ARG 14 1HH2 ARG 14 -8.136 -11.499 -11.667 82 HH21 ARG 14 2HH1 ARG 14 -11.362 -10.881 -12.942 83 HH22 ARG 14 1HH1 ARG 14 -9.698 -11.144 -13.347 84 H GLY 15 H GLY 15 -8.395 -10.986 -5.742 85 HA2 GLY 15 1HA GLY 15 -8.032 -12.226 -3.227 86 HA3 GLY 15 2HA GLY 15 -6.472 -11.797 -3.901 87 H ARG 16 H ARG 16 -6.210 -10.220 -2.156 88 HA ARG 16 HA ARG 16 -7.466 -7.737 -2.896 89 HB2 ARG 16 1HB ARG 16 -7.590 -7.403 -0.201 90 HB3 ARG 16 2HB ARG 16 -8.940 -8.019 -1.133 91 HG2 ARG 16 1HG ARG 16 -8.200 -10.360 -0.674 92 HG3 ARG 16 2HG ARG 16 -6.832 -9.755 0.238 93 HD2 ARG 16 1HD ARG 16 -8.112 -9.258 2.083 94 HD3 ARG 16 2HD ARG 16 -9.432 -8.622 1.122 95 HE ARG 16 HE ARG 16 -9.092 -11.405 2.011 96 HH11 ARG 16 2HH2 ARG 16 -10.738 -9.242 -0.224 97 HH12 ARG 16 1HH2 ARG 16 -12.053 -10.332 -0.510 98 HH21 ARG 16 2HH1 ARG 16 -10.827 -12.844 1.634 99 HH22 ARG 16 1HH1 ARG 16 -12.104 -12.395 0.553 100 H LEU 17 H LEU 17 -6.050 -5.963 -2.623 101 HA LEU 17 HA LEU 17 -3.335 -6.646 -2.017 102 HB2 LEU 17 1HB LEU 17 -4.691 -4.080 -2.847 103 HB3 LEU 17 2HB LEU 17 -2.968 -4.221 -2.562 104 HG LEU 17 HG LEU 17 -4.093 -6.202 -4.454 105 HD11 LEU 17 1HD1 LEU 17 -4.703 -3.386 -4.758 106 HD12 LEU 17 2HD1 LEU 17 -3.682 -3.974 -6.092 107 HD13 LEU 17 3HD1 LEU 17 -5.227 -4.782 -5.731 108 HD21 LEU 17 1HD2 LEU 17 -1.739 -6.191 -4.112 109 HD22 LEU 17 2HD2 LEU 17 -2.037 -5.512 -5.731 110 HD23 LEU 17 3HD2 LEU 17 -1.641 -4.432 -4.372 111 H TRP 18 H TRP 18 -2.005 -5.414 -0.435 112 HA TRP 18 HA TRP 18 -3.300 -3.960 1.624 113 HB2 TRP 18 1HB TRP 18 -2.886 -5.553 3.457 114 HB3 TRP 18 2HB TRP 18 -4.154 -6.057 2.357 115 HD1 TRP 18 HD TRP 18 -3.312 -8.038 0.477 116 HE1 TRP 18 1HE TRP 18 -1.712 -10.117 0.768 117 HE3 TRP 18 3HE TRP 18 -0.976 -6.319 4.653 118 HZ2 TRP 18 2HZ TRP 18 0.305 -10.793 2.669 119 HZ3 TRP 18 3HZ TRP 18 0.797 -7.750 5.664 120 HH2 TRP 18 HH TRP 18 1.448 -9.917 4.740 121 H LEU 19 H LEU 19 -1.560 -3.641 3.488 122 HA LEU 19 HA LEU 19 1.064 -3.566 2.167 123 HB2 LEU 19 1HB LEU 19 0.086 -1.666 4.291 124 HB3 LEU 19 2HB LEU 19 1.526 -1.532 3.301 125 HG LEU 19 HG LEU 19 -1.249 -1.480 2.105 126 HD11 LEU 19 1HD1 LEU 19 0.370 0.856 3.154 127 HD12 LEU 19 2HD1 LEU 19 -1.054 0.997 2.095 128 HD13 LEU 19 3HD1 LEU 19 -1.222 0.300 3.724 129 HD21 LEU 19 1HD2 LEU 19 0.081 -0.090 0.374 130 HD22 LEU 19 2HD2 LEU 19 1.519 -0.823 1.126 131 HD23 LEU 19 3HD2 LEU 19 0.272 -1.860 0.392 132 H GLN 20 H GLN 20 2.866 -4.301 3.301 133 HA GLN 20 HA GLN 20 2.185 -5.584 5.831 134 HB2 GLN 20 1HB GLN 20 2.773 -7.180 4.033 135 HB3 GLN 20 2HB GLN 20 4.297 -6.355 3.769 136 HG2 GLN 20 1HG GLN 20 5.139 -6.992 5.943 137 HG3 GLN 20 2HG GLN 20 3.554 -7.498 6.492 138 HE21 GLN 20 1HE2 GLN 20 2.984 -9.540 6.302 139 HE22 GLN 20 2HE2 GLN 20 3.792 -10.759 5.374 140 H SER 21 H SER 21 2.864 -4.258 7.475 141 HA SER 21 HA SER 21 5.327 -2.799 7.055 142 HB2 SER 21 1HB SER 21 4.513 -1.871 9.435 143 HB3 SER 21 2HB SER 21 3.845 -1.264 7.932 144 HG SER 21 HG SER 21 2.263 -1.923 9.646 145 HA PRO 22 HA PRO 22 7.491 -5.450 9.746 146 HB2 PRO 22 1HB PRO 22 9.564 -3.848 10.524 147 HB3 PRO 22 2HB PRO 22 9.526 -4.688 8.986 148 HG2 PRO 22 1HG PRO 22 9.086 -1.818 9.541 149 HG3 PRO 22 2HG PRO 22 9.471 -2.595 8.019 150 HD2 PRO 22 1HD PRO 22 6.903 -1.621 8.847 151 HD3 PRO 22 2HD PRO 22 7.266 -2.501 7.375 152 H THR 23 H THR 23 8.407 -5.779 11.990 153 HA THR 23 HA THR 23 8.048 -5.729 14.183 154 HB THR 23 HB THR 23 7.620 -2.824 13.398 155 HG1 THR 23 1HG THR 23 9.617 -2.862 14.807 156 HG21 THR 23 1HG2 THR 23 7.607 -3.962 16.244 157 HG22 THR 23 2HG2 THR 23 7.612 -2.237 15.803 158 HG23 THR 23 3HG2 THR 23 6.190 -3.245 15.441 159 H GLY 24 H GLY 24 6.329 -5.423 15.949 160 HA2 GLY 24 1HA GLY 24 3.830 -6.393 14.822 161 HA3 GLY 24 2HA GLY 24 4.320 -6.392 16.504 162 H GLY 25 H GLY 25 4.580 -3.514 14.389 163 HA2 GLY 25 1HA GLY 25 3.307 -1.805 16.190 164 HA3 GLY 25 2HA GLY 25 3.609 -1.491 14.492 165 HA PRO 26 HA PRO 26 -0.780 -1.637 14.312 166 HB2 PRO 26 1HB PRO 26 -1.049 -0.517 11.834 167 HB3 PRO 26 2HB PRO 26 -0.916 0.429 13.303 168 HG2 PRO 26 1HG PRO 26 1.119 -0.039 11.210 169 HG3 PRO 26 2HG PRO 26 1.073 1.211 12.438 170 HD2 PRO 26 1HD PRO 26 2.702 -1.150 12.452 171 HD3 PRO 26 2HD PRO 26 2.570 0.040 13.732 172 HA PRO 27 HA PRO 27 -1.683 -5.133 12.087 173 HB2 PRO 27 1HB PRO 27 -4.353 -4.890 11.555 174 HB3 PRO 27 2HB PRO 27 -3.729 -5.415 13.106 175 HG2 PRO 27 1HG PRO 27 -4.885 -2.797 12.363 176 HG3 PRO 27 2HG PRO 27 -4.655 -3.482 13.959 177 HD2 PRO 27 1HD PRO 27 -3.054 -1.453 12.716 178 HD3 PRO 27 2HD PRO 27 -2.757 -2.220 14.263 179 HA PRO 28 HA PRO 28 -1.638 -4.630 7.870 180 HB2 PRO 28 1HB PRO 28 -2.970 -6.784 6.843 181 HB3 PRO 28 2HB PRO 28 -1.320 -6.867 7.428 182 HG2 PRO 28 1HG PRO 28 -3.793 -7.860 8.708 183 HG3 PRO 28 2HG PRO 28 -2.130 -8.294 9.049 184 HD2 PRO 28 1HD PRO 28 -3.801 -6.552 10.598 185 HD3 PRO 28 2HD PRO 28 -2.105 -6.896 10.873 186 H ILE 29 H ILE 29 -2.468 -3.078 6.634 187 HA ILE 29 HA ILE 29 -5.353 -2.755 6.871 188 HB ILE 29 HB ILE 29 -3.142 -0.972 5.860 189 HG12 ILE 29 1HG1 ILE 29 -4.672 0.252 7.887 190 HG13 ILE 29 2HG1 ILE 29 -4.405 -1.392 8.431 191 HG21 ILE 29 1HG2 ILE 29 -6.052 -0.193 6.046 192 HG22 ILE 29 2HG2 ILE 29 -4.705 0.689 5.287 193 HG23 ILE 29 3HG2 ILE 29 -5.319 -0.808 4.545 194 HD11 ILE 29 1HD1 ILE 29 -2.333 0.701 7.692 195 HD12 ILE 29 2HD1 ILE 29 -2.495 -0.215 9.209 196 HD13 ILE 29 3HD1 ILE 29 -1.918 -1.029 7.736 197 H PHE 30 H PHE 30 -6.770 -3.179 5.232 198 HA PHE 30 HA PHE 30 -5.568 -4.256 2.796 199 HB2 PHE 30 1HB PHE 30 -8.220 -4.476 4.303 200 HB3 PHE 30 2HB PHE 30 -8.153 -4.953 2.618 201 HD1 PHE 30 2HD PHE 30 -6.766 -6.879 1.929 202 HD2 PHE 30 1HD PHE 30 -7.238 -5.838 6.016 203 HE1 PHE 30 2HE PHE 30 -5.930 -9.148 2.604 204 HE2 PHE 30 1HE PHE 30 -6.402 -8.106 6.691 205 HZ PHE 30 HZ PHE 30 -5.758 -9.734 4.977 206 H LEU 31 H LEU 31 -5.378 -2.805 1.153 207 HA LEU 31 HA LEU 31 -6.795 -0.400 1.066 208 HB2 LEU 31 1HB LEU 31 -5.589 -1.731 -1.340 209 HB3 LEU 31 2HB LEU 31 -5.716 -0.022 -0.972 210 HG LEU 31 HG LEU 31 -3.732 -2.039 -0.016 211 HD11 LEU 31 1HD1 LEU 31 -2.576 0.486 -0.181 212 HD12 LEU 31 2HD1 LEU 31 -2.511 -0.804 -1.405 213 HD13 LEU 31 3HD1 LEU 31 -3.763 0.456 -1.507 214 HD21 LEU 31 1HD2 LEU 31 -4.929 0.077 1.691 215 HD22 LEU 31 2HD2 LEU 31 -4.173 -1.474 2.131 216 HD23 LEU 31 3HD2 LEU 31 -3.155 -0.074 1.715 217 HA PRO 32 HA PRO 32 -10.521 -1.516 -0.801 218 HB2 PRO 32 1HB PRO 32 -11.187 0.740 -2.193 219 HB3 PRO 32 2HB PRO 32 -11.418 0.578 -0.463 220 HG2 PRO 32 1HG PRO 32 -9.355 2.112 -1.921 221 HG3 PRO 32 2HG PRO 32 -9.865 2.269 -0.252 222 HD2 PRO 32 1HD PRO 32 -7.472 1.006 -1.205 223 HD3 PRO 32 2HD PRO 32 -8.040 1.061 0.452 224 H SER 33 H SER 33 -11.318 -2.738 -2.428 225 HA SER 33 HA SER 33 -9.530 -2.873 -4.674 226 HB2 SER 33 1HB SER 33 -12.040 -4.536 -4.286 227 HB3 SER 33 2HB SER 33 -10.602 -4.948 -5.198 228 HG SER 33 HG SER 33 -10.552 -6.077 -3.214 229 H ASP 34 H ASP 34 -12.786 -1.746 -3.794 230 HA ASP 34 HA ASP 34 -14.083 -1.697 -6.124 231 HB2 ASP 34 1HB ASP 34 -14.613 -0.666 -3.734 232 HB3 ASP 34 2HB ASP 34 -14.001 0.819 -4.433 233 H GLY 35 H GLY 35 -11.257 0.216 -5.115 234 HA2 GLY 35 1HA GLY 35 -9.858 0.965 -6.987 235 HA3 GLY 35 2HA GLY 35 -11.306 1.633 -7.713 236 H GLN 36 H GLN 36 -11.735 2.012 -4.408 237 HA GLN 36 HA GLN 36 -11.533 4.747 -4.511 238 HB2 GLN 36 1HB GLN 36 -11.832 2.692 -2.349 239 HB3 GLN 36 2HB GLN 36 -11.362 4.300 -1.837 240 HG2 GLN 36 1HG GLN 36 -13.325 5.296 -2.891 241 HG3 GLN 36 2HG GLN 36 -13.734 3.790 -3.687 242 HE21 GLN 36 1HE2 GLN 36 -15.321 2.726 -2.810 243 HE22 GLN 36 2HE2 GLN 36 -15.762 2.673 -1.136 244 H ALA 37 H ALA 37 -10.096 6.101 -2.919 245 HA ALA 37 HA ALA 37 -7.344 5.094 -3.158 246 HB1 ALA 37 1HB ALA 37 -8.648 7.654 -3.868 247 HB2 ALA 37 2HB ALA 37 -7.130 7.828 -2.954 248 HB3 ALA 37 3HB ALA 37 -7.147 6.923 -4.487 249 H LEU 38 H LEU 38 -6.379 4.647 -1.246 250 HA LEU 38 HA LEU 38 -7.599 5.792 1.149 251 HB2 LEU 38 1HB LEU 38 -7.182 3.258 0.673 252 HB3 LEU 38 2HB LEU 38 -5.531 3.623 1.134 253 HG LEU 38 HG LEU 38 -6.279 4.402 3.330 254 HD11 LEU 38 1HD1 LEU 38 -8.751 3.782 3.905 255 HD12 LEU 38 2HD1 LEU 38 -8.378 5.333 3.114 256 HD13 LEU 38 3HD1 LEU 38 -9.006 3.972 2.153 257 HD21 LEU 38 1HD2 LEU 38 -6.762 1.663 2.336 258 HD22 LEU 38 2HD2 LEU 38 -5.754 2.244 3.683 259 HD23 LEU 38 3HD2 LEU 38 -7.510 2.052 3.903 260 H VAL 39 H VAL 39 -6.708 7.609 1.952 261 HA VAL 39 HA VAL 39 -3.997 8.268 1.177 262 HB VAL 39 HB VAL 39 -6.355 9.673 2.330 263 HG11 VAL 39 1HG1 VAL 39 -4.523 11.645 2.574 264 HG12 VAL 39 2HG1 VAL 39 -5.048 10.617 3.929 265 HG13 VAL 39 3HG1 VAL 39 -3.534 10.250 3.067 266 HG21 VAL 39 1HG2 VAL 39 -5.309 11.427 0.651 267 HG22 VAL 39 2HG2 VAL 39 -4.462 9.992 0.026 268 HG23 VAL 39 3HG2 VAL 39 -6.241 10.032 0.057 269 H LEU 40 H LEU 40 -2.220 8.046 2.462 270 HA LEU 40 HA LEU 40 -2.724 7.026 5.157 271 HB2 LEU 40 1HB LEU 40 -0.498 6.711 3.175 272 HB3 LEU 40 2HB LEU 40 -0.189 6.472 4.884 273 HG LEU 40 HG LEU 40 -2.030 4.897 3.082 274 HD11 LEU 40 1HD1 LEU 40 -0.604 3.040 4.306 275 HD12 LEU 40 2HD1 LEU 40 0.023 3.912 2.887 276 HD13 LEU 40 3HD1 LEU 40 0.538 4.388 4.523 277 HD21 LEU 40 1HD2 LEU 40 -3.388 5.108 4.971 278 HD22 LEU 40 2HD2 LEU 40 -2.531 3.569 5.224 279 HD23 LEU 40 3HD2 LEU 40 -2.009 5.032 6.093 280 H GLY 41 H GLY 41 -0.812 7.676 6.740 281 HA2 GLY 41 1HA GLY 41 0.738 9.822 6.694 282 HA3 GLY 41 2HA GLY 41 -0.834 10.592 6.784 283 H ARG 42 H ARG 42 -0.313 11.442 8.910 284 HA ARG 42 HA ARG 42 0.443 9.740 10.981 285 HB2 ARG 42 1HB ARG 42 -0.194 12.567 10.607 286 HB3 ARG 42 2HB ARG 42 -0.924 11.993 12.093 287 HG2 ARG 42 1HG ARG 42 1.383 10.937 12.641 288 HG3 ARG 42 2HG ARG 42 2.018 11.883 11.309 289 HD2 ARG 42 1HD ARG 42 2.324 13.121 13.416 290 HD3 ARG 42 2HD ARG 42 1.187 13.980 12.395 291 HE ARG 42 HE ARG 42 0.553 12.519 14.892 292 HH11 ARG 42 2HH2 ARG 42 -0.659 14.221 12.061 293 HH12 ARG 42 1HH2 ARG 42 -2.223 14.511 12.747 294 HH21 ARG 42 2HH1 ARG 42 -1.510 12.902 15.798 295 HH22 ARG 42 1HH1 ARG 42 -2.710 13.756 14.887 296 H GLY 43 H GLY 43 -0.795 8.659 12.577 297 HA2 GLY 43 1HA GLY 43 -3.178 8.911 13.586 298 HA3 GLY 43 2HA GLY 43 -3.659 8.427 11.972 299 HA PRO 44 HA PRO 44 -2.798 4.654 14.413 300 HB2 PRO 44 1HB PRO 44 -5.312 3.582 14.431 301 HB3 PRO 44 2HB PRO 44 -4.670 4.542 15.749 302 HG2 PRO 44 1HG PRO 44 -6.649 5.309 13.691 303 HG3 PRO 44 2HG PRO 44 -6.315 6.073 15.233 304 HD2 PRO 44 1HD PRO 44 -5.485 6.993 12.645 305 HD3 PRO 44 2HD PRO 44 -5.055 7.692 14.194 306 H LEU 45 H LEU 45 -3.573 5.554 11.390 307 HA LEU 45 HA LEU 45 -4.211 3.113 10.195 308 HB2 LEU 45 1HB LEU 45 -2.992 5.680 9.218 309 HB3 LEU 45 2HB LEU 45 -3.183 4.305 8.149 310 HG LEU 45 HG LEU 45 -5.684 4.370 8.972 311 HD11 LEU 45 1HD1 LEU 45 -4.793 7.222 9.485 312 HD12 LEU 45 2HD1 LEU 45 -6.478 6.650 9.428 313 HD13 LEU 45 3HD1 LEU 45 -5.380 6.058 10.697 314 HD21 LEU 45 1HD2 LEU 45 -4.605 6.417 7.014 315 HD22 LEU 45 2HD2 LEU 45 -4.894 4.696 6.661 316 HD23 LEU 45 3HD2 LEU 45 -6.259 5.763 7.070 317 H THR 46 H THR 46 -1.004 4.826 10.363 318 HA THR 46 HA THR 46 0.238 2.163 10.134 319 HB THR 46 HB THR 46 2.119 3.427 9.029 320 HG1 THR 46 1HG THR 46 1.194 5.440 10.260 321 HG21 THR 46 1HG2 THR 46 -0.703 3.647 7.923 322 HG22 THR 46 2HG2 THR 46 0.647 4.420 7.058 323 HG23 THR 46 3HG2 THR 46 0.652 2.660 7.326 324 H GLN 47 H GLN 47 -0.697 4.177 12.446 325 HA GLN 47 HA GLN 47 -0.052 4.552 14.485 326 HB2 GLN 47 1HB GLN 47 2.034 2.452 13.797 327 HB3 GLN 47 2HB GLN 47 1.989 3.204 15.380 328 HG2 GLN 47 1HG GLN 47 -0.671 2.275 14.453 329 HG3 GLN 47 2HG GLN 47 0.498 0.979 14.602 330 HE21 GLN 47 1HE2 GLN 47 -1.480 0.726 16.228 331 HE22 GLN 47 2HE2 GLN 47 -1.125 1.178 17.862 332 H VAL 48 H VAL 48 1.058 6.054 12.080 333 HA VAL 48 HA VAL 48 3.649 6.927 13.027 334 HB VAL 48 HB VAL 48 1.920 7.706 10.672 335 HG11 VAL 48 1HG1 VAL 48 4.377 8.594 9.991 336 HG12 VAL 48 2HG1 VAL 48 3.148 9.615 10.776 337 HG13 VAL 48 3HG1 VAL 48 4.437 8.866 11.749 338 HG21 VAL 48 1HG2 VAL 48 3.199 5.375 10.957 339 HG22 VAL 48 2HG2 VAL 48 3.095 6.219 9.393 340 HG23 VAL 48 3HG2 VAL 48 4.568 6.356 10.382 341 H THR 49 H THR 49 4.023 8.709 14.269 342 HA THR 49 HA THR 49 1.809 10.617 14.567 343 HB THR 49 HB THR 49 2.501 10.629 17.064 344 HG1 THR 49 1HG THR 49 3.577 8.064 16.136 345 HG21 THR 49 1HG2 THR 49 1.002 8.506 15.608 346 HG22 THR 49 2HG2 THR 49 1.625 7.997 17.196 347 HG23 THR 49 3HG2 THR 49 0.545 9.407 17.074 348 H ASP 50 H ASP 50 4.463 10.433 13.019 349 HA ASP 50 HA ASP 50 6.095 12.327 14.354 350 HB2 ASP 50 1HB ASP 50 6.730 10.482 12.588 351 HB3 ASP 50 2HB ASP 50 6.215 11.654 11.392 352 H ARG 51 H ARG 51 6.245 14.594 13.876 353 HA ARG 51 HA ARG 51 3.949 15.778 12.885 354 HB2 ARG 51 1HB ARG 51 6.754 16.915 13.334 355 HB3 ARG 51 2HB ARG 51 5.354 17.910 12.984 356 HG2 ARG 51 1HG ARG 51 4.356 17.500 15.063 357 HG3 ARG 51 2HG ARG 51 5.119 15.933 15.246 358 HD2 ARG 51 1HD ARG 51 6.746 16.879 16.513 359 HD3 ARG 51 2HD ARG 51 7.244 17.853 15.144 360 HE ARG 51 HE ARG 51 4.885 18.883 16.575 361 HH11 ARG 51 2HH2 ARG 51 8.391 18.953 16.289 362 HH12 ARG 51 1HH2 ARG 51 8.552 20.491 17.069 363 HH21 ARG 51 2HH1 ARG 51 5.096 20.913 17.604 364 HH22 ARG 51 1HH1 ARG 51 6.665 21.614 17.822 365 H LYS 52 H LYS 52 6.842 14.549 11.338 366 HA LYS 52 HA LYS 52 6.778 16.227 9.054 367 HB2 LYS 52 1HB LYS 52 8.114 13.588 9.683 368 HB3 LYS 52 2HB LYS 52 8.266 14.367 8.122 369 HG2 LYS 52 1HG LYS 52 8.827 15.933 10.661 370 HG3 LYS 52 2HG LYS 52 10.052 14.871 9.997 371 HD2 LYS 52 1HD LYS 52 9.954 16.076 7.824 372 HD3 LYS 52 2HD LYS 52 8.678 17.109 8.436 373 HE2 LYS 52 1HE LYS 52 10.117 18.325 9.814 374 HE3 LYS 52 2HE LYS 52 11.203 16.972 10.065 375 HZ1 LYS 52 1HZ LYS 52 12.374 18.280 8.641 376 HZ2 LYS 52 2HZ LYS 52 11.649 17.291 7.563 377 HZ3 LYS 52 3HZ LYS 52 11.069 18.798 7.807 378 H CYS 53 H CYS 53 5.025 13.358 10.121 379 HA CYS 53 HA CYS 53 4.151 12.706 7.472 380 HB2 CYS 53 1HB CYS 53 4.129 11.437 10.056 381 HB3 CYS 53 2HB CYS 53 2.497 11.452 9.419 382 HG CYS 53 HG CYS 53 2.764 10.022 7.487 383 H SER 54 H SER 54 2.253 13.430 6.493 384 HA SER 54 HA SER 54 0.671 15.257 8.118 385 HB2 SER 54 1HB SER 54 1.633 15.300 5.316 386 HB3 SER 54 2HB SER 54 -0.061 15.719 5.474 387 HG SER 54 HG SER 54 0.585 17.648 6.113 388 H ARG 55 H ARG 55 -1.580 14.948 8.288 389 HA ARG 55 HA ARG 55 -2.637 12.555 8.279 390 HB2 ARG 55 1HB ARG 55 -3.664 15.265 8.186 391 HB3 ARG 55 2HB ARG 55 -4.720 14.250 7.225 392 HG2 ARG 55 1HG ARG 55 -4.169 12.710 9.537 393 HG3 ARG 55 2HG ARG 55 -4.387 14.342 10.138 394 HD2 ARG 55 1HD ARG 55 -6.563 14.492 8.868 395 HD3 ARG 55 2HD ARG 55 -6.351 12.833 8.345 396 HE ARG 55 HE ARG 55 -6.918 12.082 10.504 397 HH11 ARG 55 2HH2 ARG 55 -6.355 15.555 10.555 398 HH12 ARG 55 1HH2 ARG 55 -6.971 15.760 12.160 399 HH21 ARG 55 2HH1 ARG 55 -7.731 12.352 12.622 400 HH22 ARG 55 1HH1 ARG 55 -7.759 13.926 13.344 401 H ASN 56 H ASN 56 -2.215 14.640 5.393 402 HA ASN 56 HA ASN 56 -3.140 12.381 3.797 403 HB2 ASN 56 1HB ASN 56 -3.676 15.343 3.559 404 HB3 ASN 56 2HB ASN 56 -3.481 14.451 2.064 405 HD21 ASN 56 1HD2 ASN 56 -4.955 13.810 5.249 406 HD22 ASN 56 2HD2 ASN 56 -6.503 13.289 4.672 407 H GLN 57 H GLN 57 -0.635 11.985 4.218 408 HA GLN 57 HA GLN 57 1.164 13.734 2.957 409 HB2 GLN 57 1HB GLN 57 2.012 12.368 4.726 410 HB3 GLN 57 2HB GLN 57 1.362 10.899 4.025 411 HG2 GLN 57 1HG GLN 57 3.837 11.106 3.687 412 HG3 GLN 57 2HG GLN 57 2.963 10.993 2.172 413 HE21 GLN 57 1HE2 GLN 57 4.653 11.972 1.069 414 HE22 GLN 57 2HE2 GLN 57 4.964 13.674 1.135 415 H VAL 58 H VAL 58 0.083 10.359 2.104 416 HA VAL 58 HA VAL 58 0.276 11.138 -0.705 417 HB VAL 58 HB VAL 58 1.359 8.946 -1.178 418 HG11 VAL 58 1HG1 VAL 58 3.255 10.114 -1.304 419 HG12 VAL 58 2HG1 VAL 58 2.506 11.368 -0.287 420 HG13 VAL 58 3HG1 VAL 58 3.456 10.064 0.464 421 HG21 VAL 58 1HG2 VAL 58 1.424 7.417 0.450 422 HG22 VAL 58 2HG2 VAL 58 2.691 8.398 1.226 423 HG23 VAL 58 3HG2 VAL 58 0.986 8.621 1.687 424 H GLU 59 H GLU 59 -0.900 9.527 -2.132 425 HA GLU 59 HA GLU 59 -3.132 8.446 -0.597 426 HB2 GLU 59 1HB GLU 59 -3.504 10.389 -2.283 427 HB3 GLU 59 2HB GLU 59 -3.224 9.201 -3.540 428 HG2 GLU 59 1HG GLU 59 -5.155 7.946 -2.975 429 HG3 GLU 59 2HG GLU 59 -5.226 8.592 -1.348 430 H LEU 60 H LEU 60 -3.438 6.253 -0.649 431 HA LEU 60 HA LEU 60 -1.886 4.783 -2.658 432 HB2 LEU 60 1HB LEU 60 -2.638 4.234 0.185 433 HB3 LEU 60 2HB LEU 60 -2.382 2.888 -0.908 434 HG LEU 60 HG LEU 60 -0.133 4.342 -1.396 435 HD11 LEU 60 1HD1 LEU 60 -0.175 6.035 0.130 436 HD12 LEU 60 2HD1 LEU 60 -1.109 5.097 1.321 437 HD13 LEU 60 3HD1 LEU 60 0.630 4.783 1.106 438 HD21 LEU 60 1HD2 LEU 60 -0.482 1.886 -0.778 439 HD22 LEU 60 2HD2 LEU 60 1.042 2.652 -0.271 440 HD23 LEU 60 3HD2 LEU 60 -0.266 2.403 0.911 441 H ILE 61 H ILE 61 -2.985 3.806 -4.269 442 HA ILE 61 HA ILE 61 -5.805 3.177 -3.739 443 HB ILE 61 HB ILE 61 -4.804 4.001 -6.443 444 HG12 ILE 61 1HG1 ILE 61 -5.806 6.301 -5.804 445 HG13 ILE 61 2HG1 ILE 61 -5.547 5.805 -4.143 446 HG21 ILE 61 1HG2 ILE 61 -7.116 2.874 -5.782 447 HG22 ILE 61 2HG2 ILE 61 -7.540 4.559 -5.396 448 HG23 ILE 61 3HG2 ILE 61 -6.999 4.131 -7.037 449 HD11 ILE 61 1HD1 ILE 61 -3.623 6.858 -5.988 450 HD12 ILE 61 2HD1 ILE 61 -3.358 6.346 -4.304 451 HD13 ILE 61 3HD1 ILE 61 -3.157 5.178 -5.632 452 H ALA 62 H ALA 62 -6.139 1.027 -3.768 453 HA ALA 62 HA ALA 62 -4.125 -0.708 -4.806 454 HB1 ALA 62 1HB ALA 62 -6.552 -2.103 -4.249 455 HB2 ALA 62 2HB ALA 62 -5.081 -2.013 -3.250 456 HB3 ALA 62 3HB ALA 62 -6.384 -0.821 -3.025 457 H ASP 63 H ASP 63 -3.966 -1.558 -6.829 458 HA ASP 63 HA ASP 63 -6.333 -1.251 -8.505 459 HB2 ASP 63 1HB ASP 63 -3.473 -0.574 -8.930 460 HB3 ASP 63 2HB ASP 63 -4.174 -1.485 -10.253 461 HA PRO 64 HA PRO 64 -5.369 -5.663 -8.341 462 HB2 PRO 64 1HB PRO 64 -7.947 -6.567 -8.403 463 HB3 PRO 64 2HB PRO 64 -7.083 -6.239 -6.914 464 HG2 PRO 64 1HG PRO 64 -9.206 -4.645 -8.214 465 HG3 PRO 64 2HG PRO 64 -8.639 -4.574 -6.558 466 HD2 PRO 64 1HD PRO 64 -8.027 -2.723 -8.662 467 HD3 PRO 64 2HD PRO 64 -7.369 -2.719 -7.038 468 H GLU 65 H GLU 65 -6.416 -3.602 -10.629 469 HA GLU 65 HA GLU 65 -7.402 -5.318 -12.551 470 HB2 GLU 65 1HB GLU 65 -6.560 -2.558 -12.359 471 HB3 GLU 65 2HB GLU 65 -5.908 -3.236 -13.838 472 HG2 GLU 65 1HG GLU 65 -8.312 -4.202 -14.224 473 HG3 GLU 65 2HG GLU 65 -8.820 -3.083 -12.975 474 H SER 66 H SER 66 -4.030 -4.298 -11.760 475 HA SER 66 HA SER 66 -3.144 -6.615 -13.259 476 HB2 SER 66 1HB SER 66 -2.368 -3.750 -13.740 477 HB3 SER 66 2HB SER 66 -1.105 -4.957 -13.873 478 HG SER 66 HG SER 66 -3.503 -4.674 -15.427 479 H ARG 67 H ARG 67 -3.544 -5.765 -10.348 480 HA ARG 67 HA ARG 67 -2.550 -5.984 -8.443 481 HB2 ARG 67 1HB ARG 67 -0.215 -7.295 -9.923 482 HB3 ARG 67 2HB ARG 67 -0.615 -7.500 -8.229 483 HG2 ARG 67 1HG ARG 67 -2.625 -8.204 -10.401 484 HG3 ARG 67 2HG ARG 67 -1.383 -9.345 -9.922 485 HD2 ARG 67 1HD ARG 67 -2.205 -9.453 -7.654 486 HD3 ARG 67 2HD ARG 67 -3.206 -8.030 -7.865 487 HE ARG 67 HE ARG 67 -4.864 -9.378 -8.808 488 HH11 ARG 67 2HH2 ARG 67 -1.788 -11.078 -8.976 489 HH12 ARG 67 1HH2 ARG 67 -2.487 -12.546 -9.573 490 HH21 ARG 67 2HH1 ARG 67 -5.787 -11.314 -9.595 491 HH22 ARG 67 1HH1 ARG 67 -4.777 -12.682 -9.928 492 H THR 68 H THR 68 -2.328 -3.482 -8.956 493 HA THR 68 HA THR 68 0.442 -2.777 -8.364 494 HB THR 68 HB THR 68 0.088 -0.842 -10.094 495 HG1 THR 68 1HG THR 68 -1.866 -1.062 -11.106 496 HG21 THR 68 1HG2 THR 68 1.665 -2.615 -10.692 497 HG22 THR 68 2HG2 THR 68 0.334 -3.761 -10.981 498 HG23 THR 68 3HG2 THR 68 0.574 -2.382 -12.079 499 H VAL 69 H VAL 69 0.491 -0.268 -7.868 500 HA VAL 69 HA VAL 69 -1.990 0.581 -6.632 501 HB VAL 69 HB VAL 69 0.561 0.150 -5.064 502 HG11 VAL 69 1HG1 VAL 69 -2.034 0.944 -3.795 503 HG12 VAL 69 2HG1 VAL 69 -0.361 1.254 -3.272 504 HG13 VAL 69 3HG1 VAL 69 -1.065 2.196 -4.608 505 HG21 VAL 69 1HG2 VAL 69 -2.141 -1.219 -4.835 506 HG22 VAL 69 2HG2 VAL 69 -0.654 -1.943 -5.493 507 HG23 VAL 69 3HG2 VAL 69 -0.736 -1.485 -3.775 508 H ALA 70 H ALA 70 -2.193 2.810 -6.639 509 HA ALA 70 HA ALA 70 0.008 4.219 -7.935 510 HB1 ALA 70 1HB ALA 70 -2.469 5.708 -7.433 511 HB2 ALA 70 2HB ALA 70 -1.622 5.390 -8.966 512 HB3 ALA 70 3HB ALA 70 -2.756 4.186 -8.309 513 H VAL 71 H VAL 71 0.961 6.102 -7.037 514 HA VAL 71 HA VAL 71 0.213 6.653 -4.257 515 HB VAL 71 HB VAL 71 2.987 6.192 -5.367 516 HG11 VAL 71 1HG1 VAL 71 2.459 6.822 -2.478 517 HG12 VAL 71 2HG1 VAL 71 3.943 7.033 -3.439 518 HG13 VAL 71 3HG1 VAL 71 2.575 8.151 -3.656 519 HG21 VAL 71 1HG2 VAL 71 1.138 4.641 -3.596 520 HG22 VAL 71 2HG2 VAL 71 2.267 4.075 -4.850 521 HG23 VAL 71 3HG2 VAL 71 2.884 4.578 -3.258 522 H LYS 72 H LYS 72 -0.434 8.733 -4.135 523 HA LYS 72 HA LYS 72 0.977 10.649 -5.856 524 HB2 LYS 72 1HB LYS 72 -1.177 10.318 -6.845 525 HB3 LYS 72 2HB LYS 72 -1.989 10.431 -5.297 526 HG2 LYS 72 1HG LYS 72 -1.871 12.735 -5.240 527 HG3 LYS 72 2HG LYS 72 -0.285 12.782 -5.983 528 HD2 LYS 72 1HD LYS 72 -1.228 13.278 -7.981 529 HD3 LYS 72 2HD LYS 72 -2.082 11.748 -7.963 530 HE2 LYS 72 1HE LYS 72 -3.569 13.297 -6.168 531 HE3 LYS 72 2HE LYS 72 -3.091 14.469 -7.380 532 HZ1 LYS 72 1HZ LYS 72 -4.759 13.635 -8.541 533 HZ2 LYS 72 2HZ LYS 72 -3.828 12.325 -8.832 534 HZ3 LYS 72 3HZ LYS 72 -4.908 12.304 -7.607 535 H GLN 73 H GLN 73 2.046 12.171 -4.718 536 HA GLN 73 HA GLN 73 1.673 12.247 -1.908 537 HB2 GLN 73 1HB GLN 73 3.918 12.501 -2.652 538 HB3 GLN 73 2HB GLN 73 3.484 13.686 -3.868 539 HG2 GLN 73 1HG GLN 73 3.074 15.393 -2.208 540 HG3 GLN 73 2HG GLN 73 3.085 14.230 -0.898 541 HE21 GLN 73 1HE2 GLN 73 4.704 16.681 -1.639 542 HE22 GLN 73 2HE2 GLN 73 6.362 16.207 -1.471 543 H LEU 74 H LEU 74 0.140 13.435 -0.865 544 HA LEU 74 HA LEU 74 -0.833 15.835 -2.252 545 HB2 LEU 74 1HB LEU 74 -2.441 14.522 -0.126 546 HB3 LEU 74 2HB LEU 74 -2.955 15.413 -1.545 547 HG LEU 74 HG LEU 74 -1.605 12.823 -2.076 548 HD11 LEU 74 1HD1 LEU 74 -3.707 12.959 -0.134 549 HD12 LEU 74 2HD1 LEU 74 -4.316 12.152 -1.598 550 HD13 LEU 74 3HD1 LEU 74 -2.860 11.534 -0.782 551 HD21 LEU 74 1HD2 LEU 74 -3.333 12.647 -3.792 552 HD22 LEU 74 2HD2 LEU 74 -4.128 14.108 -3.159 553 HD23 LEU 74 3HD2 LEU 74 -2.503 14.219 -3.877 554 H GLY 75 H GLY 75 1.294 14.851 0.077 555 HA2 GLY 75 1HA GLY 75 0.556 16.881 2.057 556 HA3 GLY 75 2HA GLY 75 1.783 15.640 2.214 557 H VAL 76 H VAL 76 3.496 17.049 2.784 558 HA VAL 76 HA VAL 76 4.305 18.869 0.622 559 HB VAL 76 HB VAL 76 3.765 20.307 2.329 560 HG11 VAL 76 1HG1 VAL 76 4.805 18.223 4.272 561 HG12 VAL 76 2HG1 VAL 76 4.327 19.869 4.749 562 HG13 VAL 76 3HG1 VAL 76 3.124 18.763 4.044 563 HG21 VAL 76 1HG2 VAL 76 6.551 19.788 3.319 564 HG22 VAL 76 2HG2 VAL 76 6.304 20.261 1.621 565 HG23 VAL 76 3HG2 VAL 76 5.745 21.327 2.932 566 H ASN 77 H ASN 77 5.349 16.654 3.280 567 HA ASN 77 HA ASN 77 8.031 16.714 2.670 568 HB2 ASN 77 1HB ASN 77 6.618 14.195 3.640 569 HB3 ASN 77 2HB ASN 77 8.210 14.776 4.085 570 HD21 ASN 77 1HD2 ASN 77 8.473 16.212 5.699 571 HD22 ASN 77 2HD2 ASN 77 7.203 16.824 6.706 572 HA PRO 78 HA PRO 78 8.027 14.311 -1.013 573 HB2 PRO 78 1HB PRO 78 10.707 13.831 -1.253 574 HB3 PRO 78 2HB PRO 78 9.951 15.325 -1.768 575 HG2 PRO 78 1HG PRO 78 11.610 14.817 0.625 576 HG3 PRO 78 2HG PRO 78 11.209 16.348 -0.127 577 HD2 PRO 78 1HD PRO 78 10.064 15.260 2.267 578 HD3 PRO 78 2HD PRO 78 9.583 16.734 1.451 579 H SER 79 H SER 79 7.317 12.316 -1.403 580 HA SER 79 HA SER 79 8.172 10.372 0.557 581 HB2 SER 79 1HB SER 79 5.884 10.574 -1.405 582 HB3 SER 79 2HB SER 79 6.352 8.991 -0.817 583 HG SER 79 HG SER 79 5.807 9.543 1.272 584 H THR 80 H THR 80 8.737 8.113 -0.235 585 HA THR 80 HA THR 80 10.046 8.233 -2.872 586 HB THR 80 HB THR 80 11.044 6.993 -0.252 587 HG1 THR 80 1HG THR 80 11.413 9.249 -0.298 588 HG21 THR 80 1HG2 THR 80 13.032 6.373 -1.438 589 HG22 THR 80 2HG2 THR 80 11.715 5.843 -2.511 590 HG23 THR 80 3HG2 THR 80 12.588 7.355 -2.855 591 H VAL 81 H VAL 81 9.359 6.770 -4.299 592 HA VAL 81 HA VAL 81 7.761 4.564 -3.233 593 HB VAL 81 HB VAL 81 7.944 5.886 -5.941 594 HG11 VAL 81 1HG1 VAL 81 5.775 3.982 -5.701 595 HG12 VAL 81 2HG1 VAL 81 7.043 4.107 -6.943 596 HG13 VAL 81 3HG1 VAL 81 7.344 3.180 -5.453 597 HG21 VAL 81 1HG2 VAL 81 5.339 5.985 -5.261 598 HG22 VAL 81 2HG2 VAL 81 6.065 5.997 -3.636 599 HG23 VAL 81 3HG2 VAL 81 6.510 7.250 -4.819 600 H GLY 82 H GLY 82 9.472 3.185 -2.548 601 HA2 GLY 82 1HA GLY 82 10.655 1.279 -3.031 602 HA3 GLY 82 2HA GLY 82 10.675 1.696 -4.733 603 H VAL 83 H VAL 83 12.317 3.086 -5.589 604 HA VAL 83 HA VAL 83 14.392 3.853 -3.666 605 HB VAL 83 HB VAL 83 14.915 1.686 -4.794 606 HG11 VAL 83 1HG1 VAL 83 15.772 2.786 -7.321 607 HG12 VAL 83 2HG1 VAL 83 14.692 1.409 -6.996 608 HG13 VAL 83 3HG1 VAL 83 14.026 3.056 -7.101 609 HG21 VAL 83 1HG2 VAL 83 16.578 4.113 -4.732 610 HG22 VAL 83 2HG2 VAL 83 16.918 2.470 -4.137 611 HG23 VAL 83 3HG2 VAL 83 17.163 2.863 -5.856 612 H GLN 84 H GLN 84 12.070 5.167 -5.226 613 HA GLN 84 HA GLN 84 13.773 7.152 -6.517 614 HB2 GLN 84 1HB GLN 84 12.615 6.086 -8.317 615 HB3 GLN 84 2HB GLN 84 11.108 6.017 -7.425 616 HG2 GLN 84 1HG GLN 84 10.601 8.260 -7.815 617 HG3 GLN 84 2HG GLN 84 12.283 8.746 -7.884 618 HE21 GLN 84 1HE2 GLN 84 11.325 9.922 -9.760 619 HE22 GLN 84 2HE2 GLN 84 11.353 9.153 -11.312 620 H GLU 85 H GLU 85 13.182 9.373 -6.193 621 HA GLU 85 HA GLU 85 11.535 9.698 -3.845 622 HB2 GLU 85 1HB GLU 85 13.680 10.778 -3.708 623 HB3 GLU 85 2HB GLU 85 13.508 11.500 -5.295 624 HG2 GLU 85 1HG GLU 85 11.485 12.787 -4.384 625 HG3 GLU 85 2HG GLU 85 11.909 12.193 -2.790 626 H LEU 86 H LEU 86 9.675 11.051 -3.759 627 HA LEU 86 HA LEU 86 8.577 11.649 -6.408 628 HB2 LEU 86 1HB LEU 86 7.375 10.896 -3.769 629 HB3 LEU 86 2HB LEU 86 6.427 11.805 -4.929 630 HG LEU 86 HG LEU 86 7.543 9.017 -5.187 631 HD11 LEU 86 1HD1 LEU 86 5.450 8.849 -4.248 632 HD12 LEU 86 2HD1 LEU 86 4.822 10.272 -5.114 633 HD13 LEU 86 3HD1 LEU 86 5.062 8.737 -5.982 634 HD21 LEU 86 1HD2 LEU 86 8.160 9.896 -7.275 635 HD22 LEU 86 2HD2 LEU 86 6.594 9.097 -7.558 636 HD23 LEU 86 3HD2 LEU 86 6.675 10.868 -7.406 637 H LYS 87 H LYS 87 6.660 13.530 -5.800 638 HA LYS 87 HA LYS 87 8.013 15.653 -4.349 639 HB2 LYS 87 1HB LYS 87 7.920 15.476 -7.257 640 HB3 LYS 87 2HB LYS 87 7.131 16.929 -6.676 641 HG2 LYS 87 1HG LYS 87 9.095 17.678 -5.521 642 HG3 LYS 87 2HG LYS 87 9.844 16.095 -5.586 643 HD2 LYS 87 1HD LYS 87 10.983 17.024 -7.359 644 HD3 LYS 87 2HD LYS 87 9.565 16.515 -8.254 645 HE2 LYS 87 1HE LYS 87 9.785 18.779 -8.890 646 HE3 LYS 87 2HE LYS 87 8.569 18.856 -7.631 647 HZ1 LYS 87 1HZ LYS 87 10.007 19.820 -6.210 648 HZ2 LYS 87 2HZ LYS 87 11.332 19.073 -6.805 649 HZ3 LYS 87 3HZ LYS 87 10.692 20.351 -7.594 650 HA PRO 88 HA PRO 88 3.956 16.810 -3.411 651 HB2 PRO 88 1HB PRO 88 3.922 19.542 -3.479 652 HB3 PRO 88 2HB PRO 88 4.603 18.624 -2.150 653 HG2 PRO 88 1HG PRO 88 6.004 20.095 -4.298 654 HG3 PRO 88 2HG PRO 88 6.629 19.545 -2.756 655 HD2 PRO 88 1HD PRO 88 7.088 18.345 -5.321 656 HD3 PRO 88 2HD PRO 88 7.616 17.731 -3.767 657 H GLY 89 H GLY 89 2.279 16.141 -4.588 658 HA2 GLY 89 1HA GLY 89 0.512 16.734 -5.991 659 HA3 GLY 89 2HA GLY 89 1.523 17.920 -6.792 660 H LEU 90 H LEU 90 3.471 15.214 -6.359 661 HA LEU 90 HA LEU 90 3.161 14.499 -9.135 662 HB2 LEU 90 1HB LEU 90 5.315 14.811 -7.586 663 HB3 LEU 90 2HB LEU 90 5.058 13.097 -7.326 664 HG LEU 90 HG LEU 90 5.396 12.571 -9.603 665 HD11 LEU 90 1HD1 LEU 90 5.898 14.699 -11.164 666 HD12 LEU 90 2HD1 LEU 90 4.284 13.966 -10.995 667 HD13 LEU 90 3HD1 LEU 90 4.703 15.422 -10.060 668 HD21 LEU 90 1HD2 LEU 90 7.362 13.751 -8.093 669 HD22 LEU 90 2HD2 LEU 90 7.611 12.877 -9.624 670 HD23 LEU 90 3HD2 LEU 90 7.465 14.651 -9.626 671 H SER 91 H SER 91 3.600 11.874 -9.394 672 HA SER 91 HA SER 91 2.023 10.396 -7.546 673 HB2 SER 91 1HB SER 91 0.830 9.875 -10.138 674 HB3 SER 91 2HB SER 91 0.045 10.329 -8.638 675 HG SER 91 HG SER 91 -0.111 11.834 -10.599 676 H GLY 92 H GLY 92 2.448 8.134 -7.734 677 HA2 GLY 92 1HA GLY 92 4.068 7.280 -10.035 678 HA3 GLY 92 2HA GLY 92 4.708 7.087 -8.415 679 H SER 93 H SER 93 4.679 4.723 -9.166 680 HA SER 93 HA SER 93 2.104 3.621 -8.385 681 HB2 SER 93 1HB SER 93 2.369 1.827 -10.094 682 HB3 SER 93 2HB SER 93 2.216 3.415 -10.821 683 HG SER 93 HG SER 93 4.585 1.800 -10.526 684 H LEU 94 H LEU 94 2.277 1.421 -7.422 685 HA LEU 94 HA LEU 94 5.015 0.795 -6.572 686 HB2 LEU 94 1HB LEU 94 2.839 1.706 -4.966 687 HB3 LEU 94 2HB LEU 94 3.158 0.033 -4.554 688 HG LEU 94 HG LEU 94 5.679 1.350 -4.704 689 HD11 LEU 94 1HD1 LEU 94 3.783 2.837 -2.874 690 HD12 LEU 94 2HD1 LEU 94 5.505 3.169 -3.177 691 HD13 LEU 94 3HD1 LEU 94 4.305 3.442 -4.464 692 HD21 LEU 94 1HD2 LEU 94 5.886 0.656 -2.406 693 HD22 LEU 94 2HD2 LEU 94 4.123 0.457 -2.263 694 HD23 LEU 94 3HD2 LEU 94 5.056 -0.620 -3.329 695 H SER 95 H SER 95 5.619 -1.264 -7.005 696 HA SER 95 HA SER 95 3.565 -2.985 -8.058 697 HB2 SER 95 1HB SER 95 6.533 -3.613 -7.870 698 HB3 SER 95 2HB SER 95 5.358 -4.293 -8.978 699 HG SER 95 HG SER 95 6.563 -2.740 -10.116 700 H LEU 96 H LEU 96 3.504 -5.335 -7.367 701 HA LEU 96 HA LEU 96 3.162 -5.559 -4.634 702 HB2 LEU 96 1HB LEU 96 3.054 -7.270 -6.987 703 HB3 LEU 96 2HB LEU 96 3.602 -8.137 -5.566 704 HG LEU 96 HG LEU 96 1.056 -6.497 -5.677 705 HD11 LEU 96 1HD1 LEU 96 0.995 -9.477 -5.594 706 HD12 LEU 96 2HD1 LEU 96 -0.162 -8.319 -6.293 707 HD13 LEU 96 3HD1 LEU 96 1.353 -8.690 -7.150 708 HD21 LEU 96 1HD2 LEU 96 1.865 -8.583 -3.642 709 HD22 LEU 96 2HD2 LEU 96 2.153 -6.839 -3.432 710 HD23 LEU 96 3HD2 LEU 96 0.490 -7.454 -3.580 711 H GLY 97 H GLY 97 4.769 -5.123 -3.192 712 HA2 GLY 97 1HA GLY 97 6.544 -6.355 -2.040 713 HA3 GLY 97 2HA GLY 97 7.321 -6.568 -3.596 714 H ASP 98 H ASP 98 6.382 -3.735 -4.419 715 HA ASP 98 HA ASP 98 8.733 -2.452 -3.802 716 HB2 ASP 98 1HB ASP 98 6.041 -1.614 -4.874 717 HB3 ASP 98 2HB ASP 98 7.156 -0.347 -4.405 718 H VAL 99 H VAL 99 9.093 -0.531 -2.385 719 HA VAL 99 HA VAL 99 7.360 -0.624 -0.028 720 HB VAL 99 HB VAL 99 10.155 0.475 -0.388 721 HG11 VAL 99 1HG1 VAL 99 8.991 1.593 1.424 722 HG12 VAL 99 2HG1 VAL 99 8.472 0.031 2.101 723 HG13 VAL 99 3HG1 VAL 99 10.197 0.470 2.098 724 HG21 VAL 99 1HG2 VAL 99 9.948 -2.014 -0.678 725 HG22 VAL 99 2HG2 VAL 99 10.974 -1.509 0.686 726 HG23 VAL 99 3HG2 VAL 99 9.321 -2.098 0.986 727 H LEU 100 H LEU 100 6.986 1.521 1.096 728 HA LEU 100 HA LEU 100 7.052 3.787 -0.722 729 HB2 LEU 100 1HB LEU 100 4.942 2.791 -1.252 730 HB3 LEU 100 2HB LEU 100 4.528 2.615 0.442 731 HG LEU 100 HG LEU 100 4.473 5.095 0.661 732 HD11 LEU 100 1HD1 LEU 100 4.489 5.323 -2.333 733 HD12 LEU 100 2HD1 LEU 100 4.771 6.568 -1.092 734 HD13 LEU 100 3HD1 LEU 100 6.020 5.345 -1.425 735 HD21 LEU 100 1HD2 LEU 100 2.647 3.794 -1.371 736 HD22 LEU 100 2HD2 LEU 100 2.392 3.973 0.382 737 HD23 LEU 100 3HD2 LEU 100 2.364 5.407 -0.673 738 H TYR 101 H TYR 101 8.700 4.561 0.715 739 HA TYR 101 HA TYR 101 8.394 4.689 3.483 740 HB2 TYR 101 1HB TYR 101 9.816 6.475 1.410 741 HB3 TYR 101 2HB TYR 101 10.171 6.525 3.125 742 HD1 TYR 101 2HD TYR 101 11.197 4.502 4.238 743 HD2 TYR 101 1HD TYR 101 10.778 4.811 -0.008 744 HE1 TYR 101 2HE TYR 101 12.923 2.662 3.927 745 HE2 TYR 101 1HE TYR 101 12.505 2.970 -0.305 746 HH TYR 101 HH TYR 101 14.604 2.165 1.484 747 H LEU 102 H LEU 102 6.517 5.533 4.349 748 HA LEU 102 HA LEU 102 4.866 7.396 3.421 749 HB2 LEU 102 1HB LEU 102 5.552 6.312 5.982 750 HB3 LEU 102 2HB LEU 102 5.218 8.022 6.164 751 HG LEU 102 HG LEU 102 3.197 6.815 4.490 752 HD11 LEU 102 1HD1 LEU 102 2.851 5.650 7.167 753 HD12 LEU 102 2HD1 LEU 102 2.506 4.972 5.558 754 HD13 LEU 102 3HD1 LEU 102 4.161 4.920 6.209 755 HD21 LEU 102 1HD2 LEU 102 1.696 7.893 5.970 756 HD22 LEU 102 2HD2 LEU 102 2.899 7.936 7.282 757 HD23 LEU 102 3HD2 LEU 102 3.119 8.954 5.838 758 H VAL 103 H VAL 103 7.743 8.230 5.487 759 HA VAL 103 HA VAL 103 8.372 10.447 3.834 760 HB VAL 103 HB VAL 103 6.505 11.504 4.841 761 HG11 VAL 103 1HG1 VAL 103 6.074 11.604 7.218 762 HG12 VAL 103 2HG1 VAL 103 6.250 9.900 6.736 763 HG13 VAL 103 3HG1 VAL 103 7.585 10.731 7.571 764 HG21 VAL 103 1HG2 VAL 103 7.517 13.387 5.965 765 HG22 VAL 103 2HG2 VAL 103 8.947 12.419 6.396 766 HG23 VAL 103 3HG2 VAL 103 8.623 12.820 4.692 767 H ASN 104 H ASN 104 10.233 11.745 4.908 768 HA ASN 104 HA ASN 104 12.253 11.697 5.695 769 HB2 ASN 104 1HB ASN 104 10.573 11.099 7.874 770 HB3 ASN 104 2HB ASN 104 11.815 9.868 7.988 771 HD21 ASN 104 1HD2 ASN 104 10.977 13.104 8.514 772 HD22 ASN 104 2HD2 ASN 104 12.512 13.730 9.014 773 H GLY 105 H GLY 105 11.295 9.446 3.905 774 HA2 GLY 105 1HA GLY 105 12.021 7.495 3.060 775 HA3 GLY 105 2HA GLY 105 13.578 7.895 3.756 776 H LEU 106 H LEU 106 10.926 7.714 6.031 777 HA LEU 106 HA LEU 106 11.909 5.074 6.865 778 HB2 LEU 106 1HB LEU 106 10.888 7.414 8.471 779 HB3 LEU 106 2HB LEU 106 11.070 5.802 9.135 780 HG LEU 106 HG LEU 106 13.332 7.417 7.926 781 HD11 LEU 106 1HD1 LEU 106 12.984 6.907 10.870 782 HD12 LEU 106 2HD1 LEU 106 13.978 8.129 10.039 783 HD13 LEU 106 3HD1 LEU 106 12.207 8.302 10.082 784 HD21 LEU 106 1HD2 LEU 106 14.673 5.691 9.316 785 HD22 LEU 106 2HD2 LEU 106 13.180 4.723 9.254 786 HD23 LEU 106 3HD2 LEU 106 13.995 5.200 7.745 787 H TYR 107 H TYR 107 9.896 4.356 8.632 788 HA TYR 107 HA TYR 107 8.010 3.162 8.510 789 HB2 TYR 107 1HB TYR 107 6.915 5.722 7.216 790 HB3 TYR 107 2HB TYR 107 6.082 4.681 8.353 791 HD1 TYR 107 1HD TYR 107 7.561 4.407 10.683 792 HD2 TYR 107 2HD TYR 107 7.526 7.786 8.058 793 HE1 TYR 107 1HE TYR 107 8.305 5.909 12.595 794 HE2 TYR 107 2HE TYR 107 8.270 9.276 9.979 795 HH TYR 107 HH TYR 107 9.364 7.959 12.962 796 HA PRO 108 HA PRO 108 8.140 2.498 3.984 797 HB2 PRO 108 1HB PRO 108 9.486 0.120 3.932 798 HB3 PRO 108 2HB PRO 108 10.267 1.668 3.686 799 HG2 PRO 108 1HG PRO 108 10.328 -0.080 6.069 800 HG3 PRO 108 2HG PRO 108 11.413 1.228 5.639 801 HD2 PRO 108 1HD PRO 108 9.315 1.310 7.593 802 HD3 PRO 108 2HD PRO 108 10.322 2.649 7.080 803 H LEU 109 H LEU 109 6.355 1.764 3.017 804 HA LEU 109 HA LEU 109 5.014 -0.379 4.507 805 HB2 LEU 109 1HB LEU 109 4.009 1.943 2.893 806 HB3 LEU 109 2HB LEU 109 3.012 0.519 3.117 807 HG LEU 109 HG LEU 109 2.419 2.214 4.733 808 HD11 LEU 109 1HD1 LEU 109 2.181 0.826 6.523 809 HD12 LEU 109 2HD1 LEU 109 2.694 -0.365 5.304 810 HD13 LEU 109 3HD1 LEU 109 3.873 0.276 6.473 811 HD21 LEU 109 1HD2 LEU 109 4.022 2.947 6.482 812 HD22 LEU 109 2HD2 LEU 109 5.323 2.124 5.590 813 HD23 LEU 109 3HD2 LEU 109 4.459 3.489 4.844 814 H THR 110 H THR 110 5.448 -2.335 3.634 815 HA THR 110 HA THR 110 6.084 -2.525 0.819 816 HB THR 110 HB THR 110 5.840 -4.666 2.998 817 HG1 THR 110 1HG THR 110 8.063 -4.108 3.318 818 HG21 THR 110 1HG2 THR 110 7.570 -5.811 1.569 819 HG22 THR 110 2HG2 THR 110 6.020 -5.624 0.713 820 HG23 THR 110 3HG2 THR 110 7.375 -4.529 0.349 821 H LEU 111 H LEU 111 4.811 -3.217 -0.814 822 HA LEU 111 HA LEU 111 2.014 -3.550 -0.161 823 HB2 LEU 111 1HB LEU 111 2.374 -2.081 -1.926 824 HB3 LEU 111 2HB LEU 111 3.599 -3.094 -2.664 825 HG LEU 111 HG LEU 111 1.886 -4.713 -3.349 826 HD11 LEU 111 1HD1 LEU 111 0.251 -3.227 -1.473 827 HD12 LEU 111 2HD1 LEU 111 -0.535 -3.346 -3.065 828 HD13 LEU 111 3HD1 LEU 111 -0.021 -4.822 -2.215 829 HD21 LEU 111 1HD2 LEU 111 0.742 -3.300 -5.034 830 HD22 LEU 111 2HD2 LEU 111 1.326 -1.852 -4.178 831 HD23 LEU 111 3HD2 LEU 111 2.489 -2.980 -4.916 832 H ARG 112 H ARG 112 0.916 -5.460 -0.122 833 HA ARG 112 HA ARG 112 2.298 -7.739 -1.267 834 HB2 ARG 112 1HB ARG 112 1.068 -7.539 1.521 835 HB3 ARG 112 2HB ARG 112 1.393 -9.083 0.759 836 HG2 ARG 112 1HG ARG 112 3.534 -6.938 1.108 837 HG3 ARG 112 2HG ARG 112 3.236 -8.180 2.309 838 HD2 ARG 112 1HD ARG 112 3.980 -9.926 0.894 839 HD3 ARG 112 2HD ARG 112 3.677 -9.012 -0.570 840 HE ARG 112 HE ARG 112 5.631 -7.532 0.768 841 HH11 ARG 112 2HH2 ARG 112 5.360 -10.843 -0.393 842 HH12 ARG 112 1HH2 ARG 112 7.062 -11.023 -0.662 843 HH21 ARG 112 2HH1 ARG 112 7.876 -7.769 0.414 844 HH22 ARG 112 1HH1 ARG 112 8.502 -9.263 -0.200 845 H TRP 113 H TRP 113 0.775 -9.605 -1.722 846 HA TRP 113 HA TRP 113 -1.996 -8.657 -1.993 847 HB2 TRP 113 1HB TRP 113 -1.203 -8.567 -4.173 848 HB3 TRP 113 2HB TRP 113 -0.198 -9.991 -3.987 849 HD1 TRP 113 HD TRP 113 -1.739 -12.413 -3.714 850 HE1 TRP 113 1HE TRP 113 -3.900 -13.204 -5.006 851 HE3 TRP 113 3HE TRP 113 -3.157 -7.777 -5.249 852 HZ2 TRP 113 2HZ TRP 113 -5.914 -11.833 -6.492 853 HZ3 TRP 113 3HZ TRP 113 -5.233 -7.591 -6.616 854 HH2 TRP 113 HH TRP 113 -6.595 -9.522 -7.240 855 H SER 114 H SER 114 -3.565 -10.113 -1.284 856 HA SER 114 HA SER 114 -2.539 -12.355 0.168 857 HB2 SER 114 1HB SER 114 -4.357 -10.763 1.004 858 HB3 SER 114 2HB SER 114 -5.440 -11.484 -0.170 859 HG SER 114 HG SER 114 -5.031 -12.355 2.274 860 H GLY 115 H GLY 115 -2.809 -14.540 -0.376 861 HA2 GLY 115 1HA GLY 115 -4.712 -15.512 -2.200 862 HA3 GLY 115 2HA GLY 115 -3.215 -15.223 -3.063 863 HA PRO 116 HA PRO 116 -2.735 -18.738 0.122 864 HB2 PRO 116 1HB PRO 116 -4.941 -20.331 0.377 865 HB3 PRO 116 2HB PRO 116 -4.528 -19.076 1.527 866 HG2 PRO 116 1HG PRO 116 -6.637 -19.070 -0.544 867 HG3 PRO 116 2HG PRO 116 -6.479 -18.040 0.865 868 HD2 PRO 116 1HD PRO 116 -5.888 -17.334 -1.852 869 HD3 PRO 116 2HD PRO 116 -5.622 -16.345 -0.430 870 H SER 117 H SER 117 -1.675 -18.718 -2.158 871 HA SER 117 HA SER 117 -1.647 -21.391 -2.899 872 HB2 SER 117 1HB SER 117 -2.576 -21.202 -5.212 873 HB3 SER 117 2HB SER 117 -3.797 -20.979 -3.975 874 HG SER 117 HG SER 117 -3.423 -18.605 -4.251 875 H SER 118 H SER 118 0.568 -20.464 -2.334 876 HA SER 118 HA SER 118 1.655 -18.761 -4.385 877 HB2 SER 118 1HB SER 118 2.094 -18.901 -1.682 878 HB3 SER 118 2HB SER 118 3.432 -19.874 -2.260 879 HG SER 118 HG SER 118 2.970 -17.418 -3.615 880 H GLY 119 H GLY 119 2.562 -19.641 -6.205 881 HA2 GLY 119 1HA GLY 119 3.506 -22.434 -6.049 882 HA3 GLY 119 2HA GLY 119 2.923 -21.619 -7.487 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -36.066 -20.331 3.902 2 HA2 GLY 1 1HA GLY 1 -36.967 -19.276 1.781 3 HA3 GLY 1 2HA GLY 1 -35.649 -18.136 1.971 4 H SER 2 H SER 2 -34.832 -18.894 -0.134 5 HA SER 2 HA SER 2 -32.888 -20.889 0.232 6 HB2 SER 2 1HB SER 2 -35.409 -21.847 -0.634 7 HB3 SER 2 2HB SER 2 -34.429 -21.790 -2.085 8 HG SER 2 HG SER 2 -33.221 -22.885 0.250 9 H SER 3 H SER 3 -31.314 -20.847 -1.519 10 HA SER 3 HA SER 3 -31.930 -18.926 -3.608 11 HB2 SER 3 1HB SER 3 -30.670 -17.692 -1.893 12 HB3 SER 3 2HB SER 3 -29.429 -18.928 -1.863 13 HG SER 3 HG SER 3 -28.511 -18.084 -3.611 14 H GLY 4 H GLY 4 -30.457 -19.158 -5.531 15 HA2 GLY 4 1HA GLY 4 -29.189 -21.829 -5.634 16 HA3 GLY 4 2HA GLY 4 -30.241 -21.237 -6.905 17 H SER 5 H SER 5 -27.340 -20.156 -4.992 18 HA SER 5 HA SER 5 -26.515 -18.455 -7.094 19 HB2 SER 5 1HB SER 5 -25.678 -19.106 -4.351 20 HB3 SER 5 2HB SER 5 -24.301 -18.883 -5.411 21 HG SER 5 HG SER 5 -26.037 -16.998 -4.381 22 H SER 6 H SER 6 -24.140 -18.684 -7.977 23 HA SER 6 HA SER 6 -23.975 -21.358 -9.026 24 HB2 SER 6 1HB SER 6 -22.347 -20.382 -10.617 25 HB3 SER 6 2HB SER 6 -23.842 -19.468 -10.594 26 HG SER 6 HG SER 6 -22.537 -17.791 -10.279 27 H GLY 7 H GLY 7 -23.206 -22.452 -7.078 28 HA2 GLY 7 1HA GLY 7 -21.529 -23.416 -5.915 29 HA3 GLY 7 2HA GLY 7 -20.366 -22.519 -6.871 30 H MET 8 H MET 8 -20.964 -23.063 -3.795 31 HA MET 8 HA MET 8 -20.702 -20.257 -3.032 32 HB2 MET 8 1HB MET 8 -22.020 -22.667 -1.728 33 HB3 MET 8 2HB MET 8 -21.416 -21.386 -0.696 34 HG2 MET 8 1HG MET 8 -23.478 -20.442 -1.052 35 HG3 MET 8 2HG MET 8 -22.772 -19.889 -2.557 36 HE1 MET 8 1HE MET 8 -25.929 -23.089 -1.920 37 HE2 MET 8 2HE MET 8 -24.667 -22.656 -0.741 38 HE3 MET 8 3HE MET 8 -25.880 -21.448 -1.231 39 H SER 9 H SER 9 -19.789 -23.632 -2.017 40 HA SER 9 HA SER 9 -17.436 -22.500 -0.774 41 HB2 SER 9 1HB SER 9 -18.495 -24.031 0.684 42 HB3 SER 9 2HB SER 9 -18.868 -25.159 -0.604 43 HG SER 9 HG SER 9 -16.926 -25.503 1.014 44 H GLN 10 H GLN 10 -15.896 -22.097 -2.370 45 HA GLN 10 HA GLN 10 -14.554 -24.267 -3.447 46 HB2 GLN 10 1HB GLN 10 -16.603 -24.307 -4.944 47 HB3 GLN 10 2HB GLN 10 -16.153 -22.718 -5.530 48 HG2 GLN 10 1HG GLN 10 -14.071 -24.905 -5.598 49 HG3 GLN 10 2HG GLN 10 -15.355 -24.947 -6.790 50 HE21 GLN 10 1HE2 GLN 10 -12.367 -24.298 -6.746 51 HE22 GLN 10 2HE2 GLN 10 -12.215 -22.833 -7.657 52 H LEU 11 H LEU 11 -12.791 -23.101 -2.542 53 HA LEU 11 HA LEU 11 -12.225 -20.483 -2.695 54 HB2 LEU 11 1HB LEU 11 -10.589 -22.960 -2.628 55 HB3 LEU 11 2HB LEU 11 -9.752 -21.468 -3.007 56 HG LEU 11 HG LEU 11 -11.551 -21.543 -0.609 57 HD11 LEU 11 1HD1 LEU 11 -10.356 -23.535 -0.204 58 HD12 LEU 11 2HD1 LEU 11 -8.830 -22.840 -0.801 59 HD13 LEU 11 3HD1 LEU 11 -9.525 -22.274 0.737 60 HD21 LEU 11 1HD2 LEU 11 -10.654 -19.554 -0.217 61 HD22 LEU 11 2HD2 LEU 11 -9.011 -20.238 -0.260 62 HD23 LEU 11 3HD2 LEU 11 -9.781 -19.677 -1.763 63 H GLY 12 H GLY 12 -11.751 -18.968 -4.218 64 HA2 GLY 12 1HA GLY 12 -10.315 -19.212 -6.503 65 HA3 GLY 12 2HA GLY 12 -11.910 -19.751 -6.989 66 H SER 13 H SER 13 -10.574 -17.128 -4.840 67 HA SER 13 HA SER 13 -12.328 -15.312 -6.304 68 HB2 SER 13 1HB SER 13 -11.583 -15.353 -3.352 69 HB3 SER 13 2HB SER 13 -12.299 -13.948 -4.117 70 HG SER 13 HG SER 13 -13.899 -15.337 -3.110 71 H ARG 14 H ARG 14 -11.501 -12.987 -6.335 72 HA ARG 14 HA ARG 14 -8.818 -13.028 -7.132 73 HB2 ARG 14 1HB ARG 14 -9.149 -10.637 -7.605 74 HB3 ARG 14 2HB ARG 14 -10.575 -11.520 -8.111 75 HG2 ARG 14 1HG ARG 14 -11.216 -10.934 -5.482 76 HG3 ARG 14 2HG ARG 14 -10.259 -9.532 -5.916 77 HD2 ARG 14 1HD ARG 14 -11.765 -8.838 -7.584 78 HD3 ARG 14 2HD ARG 14 -12.368 -10.458 -7.870 79 HE ARG 14 HE ARG 14 -13.989 -10.090 -6.235 80 HH11 ARG 14 2HH2 ARG 14 -11.311 -7.876 -5.677 81 HH12 ARG 14 1HH2 ARG 14 -12.101 -7.046 -4.378 82 HH21 ARG 14 2HH1 ARG 14 -15.031 -8.995 -4.521 83 HH22 ARG 14 1HH1 ARG 14 -14.231 -7.687 -3.716 84 H GLY 15 H GLY 15 -6.954 -12.510 -5.981 85 HA2 GLY 15 1HA GLY 15 -6.873 -12.481 -3.234 86 HA3 GLY 15 2HA GLY 15 -5.626 -11.848 -4.291 87 H ARG 16 H ARG 16 -5.677 -10.494 -2.038 88 HA ARG 16 HA ARG 16 -7.128 -8.082 -2.751 89 HB2 ARG 16 1HB ARG 16 -6.720 -8.902 0.153 90 HB3 ARG 16 2HB ARG 16 -7.826 -7.700 -0.482 91 HG2 ARG 16 1HG ARG 16 -8.069 -10.656 -1.187 92 HG3 ARG 16 2HG ARG 16 -8.850 -9.967 0.223 93 HD2 ARG 16 1HD ARG 16 -9.688 -8.161 -1.632 94 HD3 ARG 16 2HD ARG 16 -9.466 -9.541 -2.689 95 HE ARG 16 HE ARG 16 -11.422 -10.422 -1.790 96 HH11 ARG 16 2HH2 ARG 16 -9.915 -8.375 0.644 97 HH12 ARG 16 1HH2 ARG 16 -11.169 -8.623 1.813 98 HH21 ARG 16 2HH1 ARG 16 -13.076 -10.749 -0.248 99 HH22 ARG 16 1HH1 ARG 16 -12.979 -9.982 1.302 100 H LEU 17 H LEU 17 -5.888 -6.184 -2.572 101 HA LEU 17 HA LEU 17 -3.090 -6.587 -1.990 102 HB2 LEU 17 1HB LEU 17 -4.686 -4.277 -3.092 103 HB3 LEU 17 2HB LEU 17 -2.970 -4.178 -2.748 104 HG LEU 17 HG LEU 17 -3.836 -6.440 -4.474 105 HD11 LEU 17 1HD1 LEU 17 -4.011 -5.085 -6.476 106 HD12 LEU 17 2HD1 LEU 17 -5.245 -4.589 -5.292 107 HD13 LEU 17 3HD1 LEU 17 -3.784 -3.598 -5.524 108 HD21 LEU 17 1HD2 LEU 17 -1.481 -6.080 -3.877 109 HD22 LEU 17 2HD2 LEU 17 -1.753 -5.942 -5.631 110 HD23 LEU 17 3HD2 LEU 17 -1.534 -4.476 -4.646 111 H TRP 18 H TRP 18 -1.922 -5.637 -0.301 112 HA TRP 18 HA TRP 18 -3.215 -3.821 1.492 113 HB2 TRP 18 1HB TRP 18 -2.948 -5.327 3.481 114 HB3 TRP 18 2HB TRP 18 -4.289 -5.687 2.412 115 HD1 TRP 18 HD TRP 18 -4.108 -8.012 0.975 116 HE1 TRP 18 1HE TRP 18 -2.714 -10.237 1.240 117 HE3 TRP 18 3HE TRP 18 -0.702 -6.109 4.235 118 HZ2 TRP 18 2HZ TRP 18 -0.395 -10.936 2.750 119 HZ3 TRP 18 3HZ TRP 18 1.095 -7.629 5.057 120 HH2 TRP 18 HH TRP 18 1.281 -9.967 4.367 121 H LEU 19 H LEU 19 -1.603 -3.242 3.295 122 HA LEU 19 HA LEU 19 1.096 -3.498 2.185 123 HB2 LEU 19 1HB LEU 19 0.147 -1.471 4.199 124 HB3 LEU 19 2HB LEU 19 1.615 -1.446 3.241 125 HG LEU 19 HG LEU 19 -1.091 -1.347 1.916 126 HD11 LEU 19 1HD1 LEU 19 -0.349 0.523 3.797 127 HD12 LEU 19 2HD1 LEU 19 0.207 1.254 2.272 128 HD13 LEU 19 3HD1 LEU 19 -1.498 0.780 2.461 129 HD21 LEU 19 1HD2 LEU 19 1.727 -0.618 1.126 130 HD22 LEU 19 2HD2 LEU 19 0.593 -1.743 0.340 131 HD23 LEU 19 3HD2 LEU 19 0.310 0.012 0.253 132 H GLN 20 H GLN 20 2.834 -4.185 3.481 133 HA GLN 20 HA GLN 20 1.957 -5.388 5.990 134 HB2 GLN 20 1HB GLN 20 2.695 -6.938 4.081 135 HB3 GLN 20 2HB GLN 20 4.312 -6.294 4.285 136 HG2 GLN 20 1HG GLN 20 4.516 -7.173 6.502 137 HG3 GLN 20 2HG GLN 20 2.788 -7.410 6.665 138 HE21 GLN 20 1HE2 GLN 20 2.953 -9.553 7.179 139 HE22 GLN 20 2HE2 GLN 20 3.387 -10.791 6.048 140 H SER 21 H SER 21 2.456 -3.687 7.414 141 HA SER 21 HA SER 21 4.931 -2.328 7.156 142 HB2 SER 21 1HB SER 21 4.148 -1.432 9.506 143 HB3 SER 21 2HB SER 21 3.277 -0.953 8.063 144 HG SER 21 HG SER 21 1.693 -1.611 9.491 145 HA PRO 22 HA PRO 22 7.268 -4.944 9.734 146 HB2 PRO 22 1HB PRO 22 9.260 -3.259 10.546 147 HB3 PRO 22 2HB PRO 22 9.250 -4.047 8.981 148 HG2 PRO 22 1HG PRO 22 8.661 -1.226 9.638 149 HG3 PRO 22 2HG PRO 22 9.070 -1.929 8.086 150 HD2 PRO 22 1HD PRO 22 6.463 -1.125 8.973 151 HD3 PRO 22 2HD PRO 22 6.855 -1.934 7.469 152 H THR 23 H THR 23 8.216 -5.310 11.954 153 HA THR 23 HA THR 23 7.874 -5.360 14.150 154 HB THR 23 HB THR 23 7.301 -2.447 13.488 155 HG1 THR 23 1HG THR 23 9.432 -2.393 14.213 156 HG21 THR 23 1HG2 THR 23 5.952 -3.006 15.546 157 HG22 THR 23 2HG2 THR 23 7.413 -3.710 16.278 158 HG23 THR 23 3HG2 THR 23 7.348 -1.968 15.921 159 H GLY 24 H GLY 24 6.151 -5.144 15.948 160 HA2 GLY 24 1HA GLY 24 3.700 -6.224 14.824 161 HA3 GLY 24 2HA GLY 24 4.190 -6.198 16.506 162 H GLY 25 H GLY 25 4.355 -3.287 14.444 163 HA2 GLY 25 1HA GLY 25 2.900 -1.706 16.252 164 HA3 GLY 25 2HA GLY 25 3.331 -1.293 14.604 165 HA PRO 26 HA PRO 26 -1.002 -1.594 13.989 166 HB2 PRO 26 1HB PRO 26 -1.072 -0.481 11.494 167 HB3 PRO 26 2HB PRO 26 -1.100 0.468 12.967 168 HG2 PRO 26 1HG PRO 26 1.129 0.054 11.070 169 HG3 PRO 26 2HG PRO 26 0.939 1.303 12.286 170 HD2 PRO 26 1HD PRO 26 2.621 -1.015 12.454 171 HD3 PRO 26 2HD PRO 26 2.341 0.171 13.714 172 HA PRO 27 HA PRO 27 -1.527 -5.165 11.761 173 HB2 PRO 27 1HB PRO 27 -4.212 -5.152 11.253 174 HB3 PRO 27 2HB PRO 27 -3.530 -5.648 12.789 175 HG2 PRO 27 1HG PRO 27 -4.921 -3.131 12.106 176 HG3 PRO 27 2HG PRO 27 -4.617 -3.823 13.687 177 HD2 PRO 27 1HD PRO 27 -3.214 -1.635 12.473 178 HD3 PRO 27 2HD PRO 27 -2.836 -2.403 14.002 179 HA PRO 28 HA PRO 28 -1.567 -4.581 7.555 180 HB2 PRO 28 1HB PRO 28 -2.718 -6.821 6.494 181 HB3 PRO 28 2HB PRO 28 -1.062 -6.774 7.065 182 HG2 PRO 28 1HG PRO 28 -3.429 -8.000 8.343 183 HG3 PRO 28 2HG PRO 28 -1.731 -8.296 8.663 184 HD2 PRO 28 1HD PRO 28 -3.531 -6.735 10.260 185 HD3 PRO 28 2HD PRO 28 -1.809 -6.936 10.515 186 H ILE 29 H ILE 29 -2.578 -2.886 6.689 187 HA ILE 29 HA ILE 29 -5.454 -2.875 6.858 188 HB ILE 29 HB ILE 29 -3.421 -0.909 5.809 189 HG12 ILE 29 1HG1 ILE 29 -4.942 0.139 7.944 190 HG13 ILE 29 2HG1 ILE 29 -4.508 -1.489 8.426 191 HG21 ILE 29 1HG2 ILE 29 -5.475 -0.694 4.509 192 HG22 ILE 29 2HG2 ILE 29 -6.429 -0.590 6.008 193 HG23 ILE 29 3HG2 ILE 29 -5.263 0.693 5.604 194 HD11 ILE 29 1HD1 ILE 29 -2.721 0.006 9.125 195 HD12 ILE 29 2HD1 ILE 29 -2.108 -0.984 7.779 196 HD13 ILE 29 3HD1 ILE 29 -2.602 0.701 7.490 197 H PHE 30 H PHE 30 -6.903 -3.234 5.205 198 HA PHE 30 HA PHE 30 -5.724 -4.353 2.789 199 HB2 PHE 30 1HB PHE 30 -8.492 -4.314 4.121 200 HB3 PHE 30 2HB PHE 30 -8.257 -5.002 2.527 201 HD1 PHE 30 1HD PHE 30 -6.730 -5.250 5.932 202 HD2 PHE 30 2HD PHE 30 -7.944 -7.278 2.407 203 HE1 PHE 30 1HE PHE 30 -6.088 -7.442 6.972 204 HE2 PHE 30 2HE PHE 30 -7.302 -9.470 3.448 205 HZ PHE 30 HZ PHE 30 -6.382 -9.526 5.717 206 H LEU 31 H LEU 31 -5.357 -2.882 1.184 207 HA LEU 31 HA LEU 31 -6.583 -0.408 1.010 208 HB2 LEU 31 1HB LEU 31 -5.507 -1.925 -1.353 209 HB3 LEU 31 2HB LEU 31 -5.518 -0.195 -1.075 210 HG LEU 31 HG LEU 31 -3.654 -2.282 -0.053 211 HD11 LEU 31 1HD1 LEU 31 -2.538 -1.110 -1.626 212 HD12 LEU 31 2HD1 LEU 31 -3.536 0.349 -1.413 213 HD13 LEU 31 3HD1 LEU 31 -2.224 -0.007 -0.264 214 HD21 LEU 31 1HD2 LEU 31 -4.154 -1.644 2.083 215 HD22 LEU 31 2HD2 LEU 31 -2.942 -0.407 1.672 216 HD23 LEU 31 3HD2 LEU 31 -4.676 -0.012 1.599 217 HA PRO 32 HA PRO 32 -10.433 -1.242 -0.751 218 HB2 PRO 32 1HB PRO 32 -10.980 1.108 -2.036 219 HB3 PRO 32 2HB PRO 32 -11.183 0.890 -0.309 220 HG2 PRO 32 1HG PRO 32 -9.056 2.346 -1.755 221 HG3 PRO 32 2HG PRO 32 -9.518 2.467 -0.069 222 HD2 PRO 32 1HD PRO 32 -7.235 1.091 -1.129 223 HD3 PRO 32 2HD PRO 32 -7.761 1.116 0.542 224 H SER 33 H SER 33 -10.889 -2.722 -2.240 225 HA SER 33 HA SER 33 -9.331 -2.664 -4.605 226 HB2 SER 33 1HB SER 33 -9.992 -4.792 -3.556 227 HB3 SER 33 2HB SER 33 -11.689 -4.405 -3.761 228 HG SER 33 HG SER 33 -10.733 -5.868 -5.417 229 H ASP 34 H ASP 34 -12.504 -1.512 -3.563 230 HA ASP 34 HA ASP 34 -13.931 -1.494 -5.836 231 HB2 ASP 34 1HB ASP 34 -14.898 -0.645 -3.804 232 HB3 ASP 34 2HB ASP 34 -13.650 0.572 -3.623 233 H GLY 35 H GLY 35 -11.066 0.415 -4.954 234 HA2 GLY 35 1HA GLY 35 -9.766 1.198 -6.876 235 HA3 GLY 35 2HA GLY 35 -11.250 1.859 -7.532 236 H GLN 36 H GLN 36 -11.754 2.322 -4.325 237 HA GLN 36 HA GLN 36 -11.438 5.028 -4.420 238 HB2 GLN 36 1HB GLN 36 -11.886 2.992 -2.283 239 HB3 GLN 36 2HB GLN 36 -11.301 4.547 -1.727 240 HG2 GLN 36 1HG GLN 36 -13.159 5.691 -2.941 241 HG3 GLN 36 2HG GLN 36 -13.738 4.144 -3.527 242 HE21 GLN 36 1HE2 GLN 36 -14.572 2.608 -2.069 243 HE22 GLN 36 2HE2 GLN 36 -15.216 3.061 -0.526 244 H ALA 37 H ALA 37 -10.018 6.288 -2.659 245 HA ALA 37 HA ALA 37 -7.273 5.275 -2.963 246 HB1 ALA 37 1HB ALA 37 -8.428 7.644 -3.920 247 HB2 ALA 37 2HB ALA 37 -7.534 8.143 -2.464 248 HB3 ALA 37 3HB ALA 37 -6.688 7.292 -3.779 249 H LEU 38 H LEU 38 -6.375 4.614 -1.082 250 HA LEU 38 HA LEU 38 -7.608 5.512 1.391 251 HB2 LEU 38 1HB LEU 38 -6.980 3.075 0.669 252 HB3 LEU 38 2HB LEU 38 -5.373 3.528 1.203 253 HG LEU 38 HG LEU 38 -6.238 4.040 3.445 254 HD11 LEU 38 1HD1 LEU 38 -8.429 4.768 3.190 255 HD12 LEU 38 2HD1 LEU 38 -8.886 3.376 2.179 256 HD13 LEU 38 3HD1 LEU 38 -8.623 3.159 3.926 257 HD21 LEU 38 1HD2 LEU 38 -5.412 1.901 3.427 258 HD22 LEU 38 2HD2 LEU 38 -7.095 1.596 3.921 259 HD23 LEU 38 3HD2 LEU 38 -6.601 1.328 2.232 260 H VAL 39 H VAL 39 -6.916 7.483 2.070 261 HA VAL 39 HA VAL 39 -4.270 8.378 1.470 262 HB VAL 39 HB VAL 39 -6.741 9.432 2.710 263 HG11 VAL 39 1HG1 VAL 39 -5.516 10.131 4.531 264 HG12 VAL 39 2HG1 VAL 39 -3.996 10.239 3.610 265 HG13 VAL 39 3HG1 VAL 39 -5.245 11.493 3.417 266 HG21 VAL 39 1HG2 VAL 39 -5.271 11.411 1.319 267 HG22 VAL 39 2HG2 VAL 39 -5.084 9.899 0.400 268 HG23 VAL 39 3HG2 VAL 39 -6.710 10.523 0.766 269 H LEU 40 H LEU 40 -2.452 7.952 2.607 270 HA LEU 40 HA LEU 40 -2.827 6.910 5.323 271 HB2 LEU 40 1HB LEU 40 -0.827 6.373 3.158 272 HB3 LEU 40 2HB LEU 40 -0.381 6.128 4.835 273 HG LEU 40 HG LEU 40 -2.511 4.703 3.240 274 HD11 LEU 40 1HD1 LEU 40 -1.176 2.730 4.338 275 HD12 LEU 40 2HD1 LEU 40 -0.543 3.565 2.899 276 HD13 LEU 40 3HD1 LEU 40 0.099 3.960 4.511 277 HD21 LEU 40 1HD2 LEU 40 -2.710 3.470 5.615 278 HD22 LEU 40 2HD2 LEU 40 -2.363 5.123 6.176 279 HD23 LEU 40 3HD2 LEU 40 -3.764 4.817 5.121 280 H GLY 41 H GLY 41 -1.195 7.559 6.957 281 HA2 GLY 41 1HA GLY 41 0.732 9.439 6.776 282 HA3 GLY 41 2HA GLY 41 -0.729 10.407 6.790 283 H ARG 42 H ARG 42 -0.256 11.317 8.871 284 HA ARG 42 HA ARG 42 0.378 9.750 11.061 285 HB2 ARG 42 1HB ARG 42 -0.247 12.548 10.495 286 HB3 ARG 42 2HB ARG 42 -1.019 12.066 11.992 287 HG2 ARG 42 1HG ARG 42 1.295 11.023 12.627 288 HG3 ARG 42 2HG ARG 42 1.941 11.967 11.299 289 HD2 ARG 42 1HD ARG 42 2.162 13.244 13.390 290 HD3 ARG 42 2HD ARG 42 1.024 14.055 12.334 291 HE ARG 42 HE ARG 42 0.373 12.594 14.830 292 HH11 ARG 42 2HH2 ARG 42 -0.806 14.283 11.978 293 HH12 ARG 42 1HH2 ARG 42 -2.387 14.551 12.633 294 HH21 ARG 42 2HH1 ARG 42 -1.712 12.947 15.695 295 HH22 ARG 42 1HH1 ARG 42 -2.906 13.786 14.762 296 H GLY 43 H GLY 43 -0.902 8.734 12.656 297 HA2 GLY 43 1HA GLY 43 -3.253 8.987 13.657 298 HA3 GLY 43 2HA GLY 43 -3.777 8.574 12.036 299 HA PRO 44 HA PRO 44 -3.102 4.674 14.289 300 HB2 PRO 44 1HB PRO 44 -5.626 3.651 14.062 301 HB3 PRO 44 2HB PRO 44 -5.075 4.539 15.469 302 HG2 PRO 44 1HG PRO 44 -6.873 5.434 13.300 303 HG3 PRO 44 2HG PRO 44 -6.650 6.123 14.896 304 HD2 PRO 44 1HD PRO 44 -5.604 7.140 12.426 305 HD3 PRO 44 2HD PRO 44 -5.287 7.761 14.034 306 H LEU 45 H LEU 45 -3.681 5.718 11.252 307 HA LEU 45 HA LEU 45 -4.243 3.349 9.905 308 HB2 LEU 45 1HB LEU 45 -3.119 6.014 9.233 309 HB3 LEU 45 2HB LEU 45 -2.830 4.721 8.086 310 HG LEU 45 HG LEU 45 -4.815 6.068 7.532 311 HD11 LEU 45 1HD1 LEU 45 -4.539 3.528 7.070 312 HD12 LEU 45 2HD1 LEU 45 -5.830 3.340 8.280 313 HD13 LEU 45 3HD1 LEU 45 -6.122 4.299 6.809 314 HD21 LEU 45 1HD2 LEU 45 -6.742 5.088 9.358 315 HD22 LEU 45 2HD2 LEU 45 -5.393 5.737 10.321 316 HD23 LEU 45 3HD2 LEU 45 -6.200 6.766 9.115 317 H THR 46 H THR 46 -1.022 4.984 10.350 318 HA THR 46 HA THR 46 0.173 2.294 10.190 319 HB THR 46 HB THR 46 2.079 3.395 9.059 320 HG1 THR 46 1HG THR 46 0.365 5.763 9.234 321 HG21 THR 46 1HG2 THR 46 0.495 4.798 7.270 322 HG22 THR 46 2HG2 THR 46 0.759 3.039 7.196 323 HG23 THR 46 3HG2 THR 46 -0.694 3.689 7.994 324 H GLN 47 H GLN 47 -0.830 4.331 12.427 325 HA GLN 47 HA GLN 47 -0.267 4.718 14.488 326 HB2 GLN 47 1HB GLN 47 1.971 2.721 13.948 327 HB3 GLN 47 2HB GLN 47 1.649 3.394 15.533 328 HG2 GLN 47 1HG GLN 47 -0.850 2.449 14.400 329 HG3 GLN 47 2HG GLN 47 0.346 1.176 14.262 330 HE21 GLN 47 1HE2 GLN 47 -2.000 1.294 15.933 331 HE22 GLN 47 2HE2 GLN 47 -1.493 1.140 17.582 332 H VAL 48 H VAL 48 1.047 6.086 12.014 333 HA VAL 48 HA VAL 48 3.543 7.040 13.061 334 HB VAL 48 HB VAL 48 1.855 7.819 10.676 335 HG11 VAL 48 1HG1 VAL 48 4.420 8.650 10.126 336 HG12 VAL 48 2HG1 VAL 48 3.088 9.700 10.667 337 HG13 VAL 48 3HG1 VAL 48 4.252 9.058 11.851 338 HG21 VAL 48 1HG2 VAL 48 2.933 5.486 10.814 339 HG22 VAL 48 2HG2 VAL 48 3.262 6.465 9.365 340 HG23 VAL 48 3HG2 VAL 48 4.488 6.336 10.648 341 H THR 49 H THR 49 3.894 8.838 14.292 342 HA THR 49 HA THR 49 1.657 10.723 14.566 343 HB THR 49 HB THR 49 2.408 10.748 17.076 344 HG1 THR 49 1HG THR 49 4.348 9.427 16.510 345 HG21 THR 49 1HG2 THR 49 1.014 8.376 15.755 346 HG22 THR 49 2HG2 THR 49 1.229 8.465 17.520 347 HG23 THR 49 3HG2 THR 49 0.274 9.707 16.676 348 H ASP 50 H ASP 50 4.199 10.669 12.947 349 HA ASP 50 HA ASP 50 5.796 12.612 14.323 350 HB2 ASP 50 1HB ASP 50 6.223 10.690 12.284 351 HB3 ASP 50 2HB ASP 50 6.388 12.234 11.471 352 H ARG 51 H ARG 51 6.050 14.833 13.561 353 HA ARG 51 HA ARG 51 3.727 15.933 12.513 354 HB2 ARG 51 1HB ARG 51 6.535 17.015 12.988 355 HB3 ARG 51 2HB ARG 51 5.287 18.033 12.297 356 HG2 ARG 51 1HG ARG 51 4.930 16.518 14.923 357 HG3 ARG 51 2HG ARG 51 5.533 18.162 14.844 358 HD2 ARG 51 1HD ARG 51 3.466 19.048 14.264 359 HD3 ARG 51 2HD ARG 51 3.000 17.640 13.329 360 HE ARG 51 HE ARG 51 3.059 16.683 15.932 361 HH11 ARG 51 2HH2 ARG 51 1.445 19.380 14.351 362 HH12 ARG 51 1HH2 ARG 51 0.090 19.368 15.431 363 HH21 ARG 51 2HH1 ARG 51 1.273 16.667 17.357 364 HH22 ARG 51 1HH1 ARG 51 -0.008 17.815 17.152 365 H LYS 52 H LYS 52 6.934 15.093 11.107 366 HA LYS 52 HA LYS 52 6.674 16.380 8.674 367 HB2 LYS 52 1HB LYS 52 8.094 13.777 9.314 368 HB3 LYS 52 2HB LYS 52 8.356 14.756 7.884 369 HG2 LYS 52 1HG LYS 52 8.551 16.219 10.485 370 HG3 LYS 52 2HG LYS 52 9.797 15.018 10.208 371 HD2 LYS 52 1HD LYS 52 10.003 16.137 7.822 372 HD3 LYS 52 2HD LYS 52 9.155 17.482 8.558 373 HE2 LYS 52 1HE LYS 52 11.607 16.284 9.899 374 HE3 LYS 52 2HE LYS 52 11.782 17.462 8.613 375 HZ1 LYS 52 1HZ LYS 52 10.624 19.042 9.864 376 HZ2 LYS 52 2HZ LYS 52 10.087 17.952 10.954 377 HZ3 LYS 52 3HZ LYS 52 11.668 18.358 10.916 378 H CYS 53 H CYS 53 4.888 13.717 10.009 379 HA CYS 53 HA CYS 53 4.124 12.739 7.399 380 HB2 CYS 53 1HB CYS 53 4.141 11.678 10.086 381 HB3 CYS 53 2HB CYS 53 2.527 11.544 9.415 382 HG CYS 53 HG CYS 53 2.980 10.122 7.454 383 H SER 54 H SER 54 2.241 13.375 6.356 384 HA SER 54 HA SER 54 0.544 15.188 7.877 385 HB2 SER 54 1HB SER 54 1.830 15.677 5.515 386 HB3 SER 54 2HB SER 54 0.311 15.058 4.899 387 HG SER 54 HG SER 54 0.574 17.488 5.417 388 H ARG 55 H ARG 55 -1.688 14.774 8.033 389 HA ARG 55 HA ARG 55 -2.628 12.331 8.087 390 HB2 ARG 55 1HB ARG 55 -3.758 14.950 8.057 391 HB3 ARG 55 2HB ARG 55 -4.716 14.022 6.920 392 HG2 ARG 55 1HG ARG 55 -4.471 12.223 9.014 393 HG3 ARG 55 2HG ARG 55 -4.498 13.749 9.876 394 HD2 ARG 55 1HD ARG 55 -6.710 14.117 9.399 395 HD3 ARG 55 2HD ARG 55 -6.527 13.631 7.725 396 HE ARG 55 HE ARG 55 -6.362 11.366 9.561 397 HH11 ARG 55 2HH2 ARG 55 -8.579 13.466 7.813 398 HH12 ARG 55 1HH2 ARG 55 -9.868 12.309 7.801 399 HH21 ARG 55 2HH1 ARG 55 -8.062 9.839 9.546 400 HH22 ARG 55 1HH1 ARG 55 -9.572 10.232 8.794 401 H ASN 56 H ASN 56 -2.245 14.342 5.150 402 HA ASN 56 HA ASN 56 -3.097 12.018 3.608 403 HB2 ASN 56 1HB ASN 56 -3.480 13.957 1.789 404 HB3 ASN 56 2HB ASN 56 -4.725 13.572 2.960 405 HD21 ASN 56 1HD2 ASN 56 -5.627 15.570 3.023 406 HD22 ASN 56 2HD2 ASN 56 -4.869 16.970 3.707 407 H GLN 57 H GLN 57 -0.525 11.869 4.275 408 HA GLN 57 HA GLN 57 1.247 13.529 2.942 409 HB2 GLN 57 1HB GLN 57 1.979 12.163 4.810 410 HB3 GLN 57 2HB GLN 57 1.517 10.683 3.993 411 HG2 GLN 57 1HG GLN 57 3.968 11.043 3.859 412 HG3 GLN 57 2HG GLN 57 3.246 11.051 2.262 413 HE21 GLN 57 1HE2 GLN 57 5.212 12.163 1.675 414 HE22 GLN 57 2HE2 GLN 57 5.335 13.881 1.859 415 H VAL 58 H VAL 58 -0.254 10.370 2.040 416 HA VAL 58 HA VAL 58 0.250 11.004 -0.737 417 HB VAL 58 HB VAL 58 1.168 8.666 -1.081 418 HG11 VAL 58 1HG1 VAL 58 3.261 9.535 -1.178 419 HG12 VAL 58 2HG1 VAL 58 2.416 11.051 -0.781 420 HG13 VAL 58 3HG1 VAL 58 3.218 10.116 0.504 421 HG21 VAL 58 1HG2 VAL 58 2.331 8.645 1.631 422 HG22 VAL 58 2HG2 VAL 58 0.585 8.303 1.571 423 HG23 VAL 58 3HG2 VAL 58 1.720 7.306 0.630 424 H GLU 59 H GLU 59 -1.040 9.592 -2.192 425 HA GLU 59 HA GLU 59 -3.331 8.555 -0.716 426 HB2 GLU 59 1HB GLU 59 -4.032 10.420 -2.052 427 HB3 GLU 59 2HB GLU 59 -3.108 9.882 -3.440 428 HG2 GLU 59 1HG GLU 59 -4.590 7.812 -3.540 429 HG3 GLU 59 2HG GLU 59 -5.568 8.508 -2.263 430 H LEU 60 H LEU 60 -3.210 6.352 -0.575 431 HA LEU 60 HA LEU 60 -1.901 4.905 -2.723 432 HB2 LEU 60 1HB LEU 60 -2.739 4.285 0.083 433 HB3 LEU 60 2HB LEU 60 -2.468 2.975 -1.048 434 HG LEU 60 HG LEU 60 -0.181 4.370 -1.430 435 HD11 LEU 60 1HD1 LEU 60 -0.659 6.092 0.187 436 HD12 LEU 60 2HD1 LEU 60 -0.966 4.877 1.452 437 HD13 LEU 60 3HD1 LEU 60 0.674 5.077 0.788 438 HD21 LEU 60 1HD2 LEU 60 -0.826 2.216 0.585 439 HD22 LEU 60 2HD2 LEU 60 -0.123 2.049 -1.042 440 HD23 LEU 60 3HD2 LEU 60 0.835 2.773 0.273 441 H ILE 61 H ILE 61 -2.928 3.551 -4.171 442 HA ILE 61 HA ILE 61 -5.801 3.176 -3.789 443 HB ILE 61 HB ILE 61 -4.433 4.484 -6.114 444 HG12 ILE 61 1HG1 ILE 61 -7.115 5.184 -4.949 445 HG13 ILE 61 2HG1 ILE 61 -5.651 5.657 -4.111 446 HG21 ILE 61 1HG2 ILE 61 -6.563 2.488 -6.255 447 HG22 ILE 61 2HG2 ILE 61 -7.021 4.050 -6.973 448 HG23 ILE 61 3HG2 ILE 61 -5.565 3.202 -7.545 449 HD11 ILE 61 1HD1 ILE 61 -5.688 7.482 -5.478 450 HD12 ILE 61 2HD1 ILE 61 -5.053 6.379 -6.723 451 HD13 ILE 61 3HD1 ILE 61 -6.801 6.705 -6.629 452 H ALA 62 H ALA 62 -6.138 1.026 -3.729 453 HA ALA 62 HA ALA 62 -4.163 -0.764 -4.743 454 HB1 ALA 62 1HB ALA 62 -5.172 -2.163 -3.297 455 HB2 ALA 62 2HB ALA 62 -6.230 -0.807 -2.840 456 HB3 ALA 62 3HB ALA 62 -6.747 -1.954 -4.099 457 H ASP 63 H ASP 63 -4.009 -1.604 -6.765 458 HA ASP 63 HA ASP 63 -6.390 -1.324 -8.426 459 HB2 ASP 63 1HB ASP 63 -3.929 -0.144 -8.841 460 HB3 ASP 63 2HB ASP 63 -3.728 -1.633 -9.743 461 HA PRO 64 HA PRO 64 -5.455 -5.743 -8.174 462 HB2 PRO 64 1HB PRO 64 -8.040 -6.628 -8.148 463 HB3 PRO 64 2HB PRO 64 -7.133 -6.276 -6.691 464 HG2 PRO 64 1HG PRO 64 -9.280 -4.693 -7.966 465 HG3 PRO 64 2HG PRO 64 -8.668 -4.592 -6.327 466 HD2 PRO 64 1HD PRO 64 -8.100 -2.790 -8.485 467 HD3 PRO 64 2HD PRO 64 -7.398 -2.757 -6.880 468 H GLU 65 H GLU 65 -6.490 -3.721 -10.482 469 HA GLU 65 HA GLU 65 -7.316 -5.730 -12.328 470 HB2 GLU 65 1HB GLU 65 -8.382 -3.807 -12.956 471 HB3 GLU 65 2HB GLU 65 -7.160 -2.771 -12.244 472 HG2 GLU 65 1HG GLU 65 -5.657 -3.142 -14.166 473 HG3 GLU 65 2HG GLU 65 -6.769 -4.310 -14.854 474 H SER 66 H SER 66 -4.326 -4.255 -11.265 475 HA SER 66 HA SER 66 -2.941 -5.859 -13.216 476 HB2 SER 66 1HB SER 66 -3.117 -2.953 -13.369 477 HB3 SER 66 2HB SER 66 -1.453 -3.435 -13.103 478 HG SER 66 HG SER 66 -1.812 -3.432 -15.343 479 H ARG 67 H ARG 67 -3.508 -5.825 -10.244 480 HA ARG 67 HA ARG 67 -2.500 -5.904 -8.311 481 HB2 ARG 67 1HB ARG 67 -0.463 -7.227 -10.154 482 HB3 ARG 67 2HB ARG 67 -0.234 -7.213 -8.416 483 HG2 ARG 67 1HG ARG 67 -1.487 -9.119 -8.412 484 HG3 ARG 67 2HG ARG 67 -2.866 -8.053 -8.599 485 HD2 ARG 67 1HD ARG 67 -2.951 -8.380 -10.973 486 HD3 ARG 67 2HD ARG 67 -1.320 -9.018 -11.035 487 HE ARG 67 HE ARG 67 -2.565 -10.837 -9.402 488 HH11 ARG 67 2HH2 ARG 67 -3.436 -9.489 -12.534 489 HH12 ARG 67 1HH2 ARG 67 -4.303 -10.899 -13.043 490 HH21 ARG 67 2HH1 ARG 67 -3.708 -12.698 -10.074 491 HH22 ARG 67 1HH1 ARG 67 -4.459 -12.737 -11.634 492 H THR 68 H THR 68 -2.235 -3.312 -9.253 493 HA THR 68 HA THR 68 0.508 -2.628 -8.427 494 HB THR 68 HB THR 68 0.064 -0.614 -10.072 495 HG1 THR 68 1HG THR 68 -1.672 -2.748 -11.082 496 HG21 THR 68 1HG2 THR 68 1.682 -1.943 -11.073 497 HG22 THR 68 2HG2 THR 68 0.802 -3.448 -10.712 498 HG23 THR 68 3HG2 THR 68 0.319 -2.446 -12.102 499 H VAL 69 H VAL 69 0.517 -0.104 -7.883 500 HA VAL 69 HA VAL 69 -1.934 0.698 -6.590 501 HB VAL 69 HB VAL 69 0.578 0.082 -5.022 502 HG11 VAL 69 1HG1 VAL 69 -1.402 2.066 -4.550 503 HG12 VAL 69 2HG1 VAL 69 -1.673 0.759 -3.372 504 HG13 VAL 69 3HG1 VAL 69 -0.080 1.547 -3.476 505 HG21 VAL 69 1HG2 VAL 69 -0.703 -1.926 -5.484 506 HG22 VAL 69 2HG2 VAL 69 -0.901 -1.477 -3.773 507 HG23 VAL 69 3HG2 VAL 69 -2.202 -1.136 -4.939 508 H ALA 70 H ALA 70 -2.156 2.845 -6.947 509 HA ALA 70 HA ALA 70 0.152 4.286 -7.926 510 HB1 ALA 70 1HB ALA 70 -2.059 6.008 -7.765 511 HB2 ALA 70 2HB ALA 70 -1.508 5.114 -9.202 512 HB3 ALA 70 3HB ALA 70 -2.757 4.415 -8.143 513 H VAL 71 H VAL 71 1.033 6.174 -6.951 514 HA VAL 71 HA VAL 71 0.101 6.699 -4.224 515 HB VAL 71 HB VAL 71 2.991 6.386 -5.059 516 HG11 VAL 71 1HG1 VAL 71 2.203 7.994 -3.122 517 HG12 VAL 71 2HG1 VAL 71 2.039 6.472 -2.214 518 HG13 VAL 71 3HG1 VAL 71 3.614 6.931 -2.905 519 HG21 VAL 71 1HG2 VAL 71 1.063 4.488 -3.732 520 HG22 VAL 71 2HG2 VAL 71 2.223 4.186 -5.048 521 HG23 VAL 71 3HG2 VAL 71 2.806 4.404 -3.380 522 H LYS 72 H LYS 72 -0.665 8.749 -4.314 523 HA LYS 72 HA LYS 72 0.849 10.643 -5.969 524 HB2 LYS 72 1HB LYS 72 -1.577 10.128 -6.553 525 HB3 LYS 72 2HB LYS 72 -2.023 10.925 -5.057 526 HG2 LYS 72 1HG LYS 72 -0.566 12.924 -5.906 527 HG3 LYS 72 2HG LYS 72 -0.615 12.133 -7.469 528 HD2 LYS 72 1HD LYS 72 -3.134 12.782 -5.874 529 HD3 LYS 72 2HD LYS 72 -2.439 13.894 -7.037 530 HE2 LYS 72 1HE LYS 72 -2.576 11.362 -8.357 531 HE3 LYS 72 2HE LYS 72 -4.104 11.552 -7.520 532 HZ1 LYS 72 1HZ LYS 72 -4.597 13.413 -8.709 533 HZ2 LYS 72 2HZ LYS 72 -3.043 13.804 -9.023 534 HZ3 LYS 72 3HZ LYS 72 -3.758 12.581 -9.836 535 H GLN 73 H GLN 73 1.881 12.323 -4.993 536 HA GLN 73 HA GLN 73 1.770 12.362 -2.132 537 HB2 GLN 73 1HB GLN 73 3.968 12.517 -3.067 538 HB3 GLN 73 2HB GLN 73 3.489 13.753 -4.213 539 HG2 GLN 73 1HG GLN 73 3.266 15.421 -2.475 540 HG3 GLN 73 2HG GLN 73 3.346 14.216 -1.205 541 HE21 GLN 73 1HE2 GLN 73 4.976 16.623 -1.854 542 HE22 GLN 73 2HE2 GLN 73 6.626 16.097 -1.892 543 H LEU 74 H LEU 74 0.304 13.587 -1.038 544 HA LEU 74 HA LEU 74 -0.580 16.063 -2.351 545 HB2 LEU 74 1HB LEU 74 -2.269 14.702 -0.312 546 HB3 LEU 74 2HB LEU 74 -2.730 15.724 -1.659 547 HG LEU 74 HG LEU 74 -1.508 13.221 -2.549 548 HD11 LEU 74 1HD1 LEU 74 -3.252 13.016 -0.299 549 HD12 LEU 74 2HD1 LEU 74 -4.101 12.386 -1.731 550 HD13 LEU 74 3HD1 LEU 74 -2.516 11.719 -1.271 551 HD21 LEU 74 1HD2 LEU 74 -4.165 14.576 -3.080 552 HD22 LEU 74 2HD2 LEU 74 -2.685 14.686 -4.063 553 HD23 LEU 74 3HD2 LEU 74 -3.558 13.140 -3.938 554 H GLY 75 H GLY 75 1.612 15.052 -0.221 555 HA2 GLY 75 1HA GLY 75 0.894 16.934 1.925 556 HA3 GLY 75 2HA GLY 75 2.098 15.663 2.002 557 H VAL 76 H VAL 76 3.729 17.177 2.719 558 HA VAL 76 HA VAL 76 4.602 19.005 0.589 559 HB VAL 76 HB VAL 76 4.013 20.370 2.359 560 HG11 VAL 76 1HG1 VAL 76 5.254 18.365 4.274 561 HG12 VAL 76 2HG1 VAL 76 4.503 19.913 4.732 562 HG13 VAL 76 3HG1 VAL 76 3.515 18.626 3.999 563 HG21 VAL 76 1HG2 VAL 76 6.845 19.893 3.245 564 HG22 VAL 76 2HG2 VAL 76 6.521 20.445 1.584 565 HG23 VAL 76 3HG2 VAL 76 5.981 21.425 2.969 566 H ASN 77 H ASN 77 5.648 16.770 3.238 567 HA ASN 77 HA ASN 77 8.326 16.823 2.552 568 HB2 ASN 77 1HB ASN 77 6.943 14.360 3.692 569 HB3 ASN 77 2HB ASN 77 8.553 14.953 4.048 570 HD21 ASN 77 1HD2 ASN 77 8.880 16.396 5.625 571 HD22 ASN 77 2HD2 ASN 77 7.651 17.084 6.633 572 HA PRO 78 HA PRO 78 8.171 14.253 -1.015 573 HB2 PRO 78 1HB PRO 78 10.841 13.774 -1.349 574 HB3 PRO 78 2HB PRO 78 10.054 15.239 -1.901 575 HG2 PRO 78 1HG PRO 78 11.819 14.852 0.438 576 HG3 PRO 78 2HG PRO 78 11.375 16.344 -0.368 577 HD2 PRO 78 1HD PRO 78 10.343 15.368 2.124 578 HD3 PRO 78 2HD PRO 78 9.817 16.799 1.261 579 H SER 79 H SER 79 7.557 12.213 -1.375 580 HA SER 79 HA SER 79 8.527 10.367 0.646 581 HB2 SER 79 1HB SER 79 6.068 10.465 -1.115 582 HB3 SER 79 2HB SER 79 6.590 8.928 -0.452 583 HG SER 79 HG SER 79 5.127 9.838 1.021 584 H THR 80 H THR 80 9.015 8.076 -0.109 585 HA THR 80 HA THR 80 10.148 8.131 -2.830 586 HB THR 80 HB THR 80 11.180 6.774 -0.283 587 HG1 THR 80 1HG THR 80 12.726 8.509 -0.481 588 HG21 THR 80 1HG2 THR 80 13.181 6.273 -1.609 589 HG22 THR 80 2HG2 THR 80 11.778 5.588 -2.463 590 HG23 THR 80 3HG2 THR 80 12.503 7.114 -3.023 591 H VAL 81 H VAL 81 9.212 6.798 -4.235 592 HA VAL 81 HA VAL 81 7.589 4.637 -3.127 593 HB VAL 81 HB VAL 81 7.668 6.092 -5.763 594 HG11 VAL 81 1HG1 VAL 81 6.712 3.356 -5.195 595 HG12 VAL 81 2HG1 VAL 81 5.529 4.407 -6.008 596 HG13 VAL 81 3HG1 VAL 81 7.127 4.132 -6.742 597 HG21 VAL 81 1HG2 VAL 81 6.437 7.063 -3.790 598 HG22 VAL 81 2HG2 VAL 81 5.429 6.754 -5.225 599 HG23 VAL 81 3HG2 VAL 81 5.368 5.640 -3.838 600 H GLY 82 H GLY 82 9.451 3.306 -2.543 601 HA2 GLY 82 1HA GLY 82 10.397 1.272 -3.189 602 HA3 GLY 82 2HA GLY 82 10.415 1.792 -4.862 603 H VAL 83 H VAL 83 12.123 3.131 -5.663 604 HA VAL 83 HA VAL 83 14.248 3.711 -3.735 605 HB VAL 83 HB VAL 83 14.674 1.549 -4.883 606 HG11 VAL 83 1HG1 VAL 83 14.373 1.284 -7.076 607 HG12 VAL 83 2HG1 VAL 83 13.799 2.966 -7.172 608 HG13 VAL 83 3HG1 VAL 83 15.521 2.598 -7.430 609 HG21 VAL 83 1HG2 VAL 83 16.942 2.641 -6.004 610 HG22 VAL 83 2HG2 VAL 83 16.437 3.901 -4.852 611 HG23 VAL 83 3HG2 VAL 83 16.727 2.240 -4.283 612 H GLN 84 H GLN 84 11.979 5.102 -5.414 613 HA GLN 84 HA GLN 84 13.798 7.085 -6.539 614 HB2 GLN 84 1HB GLN 84 12.786 6.133 -8.458 615 HB3 GLN 84 2HB GLN 84 11.230 5.950 -7.672 616 HG2 GLN 84 1HG GLN 84 10.668 8.216 -7.928 617 HG3 GLN 84 2HG GLN 84 12.340 8.740 -7.968 618 HE21 GLN 84 1HE2 GLN 84 11.328 9.952 -9.810 619 HE22 GLN 84 2HE2 GLN 84 11.399 9.240 -11.387 620 H GLU 85 H GLU 85 13.401 9.239 -5.973 621 HA GLU 85 HA GLU 85 11.588 9.570 -3.800 622 HB2 GLU 85 1HB GLU 85 13.988 10.794 -4.672 623 HB3 GLU 85 2HB GLU 85 12.772 12.048 -4.802 624 HG2 GLU 85 1HG GLU 85 12.938 12.358 -2.563 625 HG3 GLU 85 2HG GLU 85 12.205 10.783 -2.338 626 H LEU 86 H LEU 86 9.726 10.931 -3.737 627 HA LEU 86 HA LEU 86 8.642 11.479 -6.400 628 HB2 LEU 86 1HB LEU 86 7.444 10.821 -3.737 629 HB3 LEU 86 2HB LEU 86 6.501 11.721 -4.907 630 HG LEU 86 HG LEU 86 7.559 8.907 -5.107 631 HD11 LEU 86 1HD1 LEU 86 5.058 8.692 -5.907 632 HD12 LEU 86 2HD1 LEU 86 5.469 8.776 -4.177 633 HD13 LEU 86 3HD1 LEU 86 4.874 10.225 -5.023 634 HD21 LEU 86 1HD2 LEU 86 6.599 8.955 -7.478 635 HD22 LEU 86 2HD2 LEU 86 6.733 10.726 -7.367 636 HD23 LEU 86 3HD2 LEU 86 8.188 9.713 -7.218 637 H LYS 87 H LYS 87 6.820 13.426 -6.005 638 HA LYS 87 HA LYS 87 8.198 15.581 -4.600 639 HB2 LYS 87 1HB LYS 87 7.913 15.309 -7.519 640 HB3 LYS 87 2HB LYS 87 7.342 16.841 -6.891 641 HG2 LYS 87 1HG LYS 87 9.501 17.527 -6.796 642 HG3 LYS 87 2HG LYS 87 9.749 16.387 -5.489 643 HD2 LYS 87 1HD LYS 87 10.769 14.809 -6.859 644 HD3 LYS 87 2HD LYS 87 9.821 15.251 -8.265 645 HE2 LYS 87 1HE LYS 87 11.519 16.551 -9.018 646 HE3 LYS 87 2HE LYS 87 11.414 17.543 -7.577 647 HZ1 LYS 87 1HZ LYS 87 12.702 15.528 -6.575 648 HZ2 LYS 87 2HZ LYS 87 13.171 15.310 -8.124 649 HZ3 LYS 87 3HZ LYS 87 13.488 16.721 -7.365 650 HA PRO 88 HA PRO 88 4.180 16.804 -3.592 651 HB2 PRO 88 1HB PRO 88 4.210 19.536 -3.680 652 HB3 PRO 88 2HB PRO 88 4.890 18.612 -2.355 653 HG2 PRO 88 1HG PRO 88 6.292 20.033 -4.535 654 HG3 PRO 88 2HG PRO 88 6.928 19.479 -2.999 655 HD2 PRO 88 1HD PRO 88 7.318 18.250 -5.561 656 HD3 PRO 88 2HD PRO 88 7.854 17.634 -4.011 657 H GLY 89 H GLY 89 2.528 16.099 -4.795 658 HA2 GLY 89 1HA GLY 89 0.733 16.740 -6.162 659 HA3 GLY 89 2HA GLY 89 1.755 17.905 -6.980 660 H LEU 90 H LEU 90 3.602 15.104 -6.508 661 HA LEU 90 HA LEU 90 3.273 14.400 -9.293 662 HB2 LEU 90 1HB LEU 90 5.456 14.698 -7.824 663 HB3 LEU 90 2HB LEU 90 5.161 13.013 -7.446 664 HG LEU 90 HG LEU 90 5.469 12.321 -9.673 665 HD11 LEU 90 1HD1 LEU 90 5.888 14.211 -11.465 666 HD12 LEU 90 2HD1 LEU 90 4.243 13.659 -11.068 667 HD13 LEU 90 3HD1 LEU 90 4.869 15.169 -10.363 668 HD21 LEU 90 1HD2 LEU 90 7.684 12.667 -9.853 669 HD22 LEU 90 2HD2 LEU 90 7.521 14.440 -9.843 670 HD23 LEU 90 3HD2 LEU 90 7.478 13.534 -8.311 671 H SER 91 H SER 91 3.607 11.787 -9.581 672 HA SER 91 HA SER 91 2.060 10.332 -7.689 673 HB2 SER 91 1HB SER 91 0.761 9.876 -10.245 674 HB3 SER 91 2HB SER 91 0.043 10.320 -8.709 675 HG SER 91 HG SER 91 -0.396 11.968 -10.234 676 H GLY 92 H GLY 92 2.652 8.152 -7.768 677 HA2 GLY 92 1HA GLY 92 4.069 7.236 -10.191 678 HA3 GLY 92 2HA GLY 92 4.783 7.047 -8.602 679 H SER 93 H SER 93 4.700 4.679 -9.334 680 HA SER 93 HA SER 93 2.152 3.604 -8.436 681 HB2 SER 93 1HB SER 93 3.562 3.117 -11.016 682 HB3 SER 93 2HB SER 93 2.995 1.671 -10.204 683 HG SER 93 HG SER 93 0.955 2.183 -10.652 684 H LEU 94 H LEU 94 2.339 1.453 -7.408 685 HA LEU 94 HA LEU 94 5.106 0.809 -6.668 686 HB2 LEU 94 1HB LEU 94 2.987 1.738 -5.002 687 HB3 LEU 94 2HB LEU 94 3.307 0.065 -4.589 688 HG LEU 94 HG LEU 94 5.838 1.320 -4.809 689 HD11 LEU 94 1HD1 LEU 94 4.079 2.930 -2.957 690 HD12 LEU 94 2HD1 LEU 94 5.769 3.228 -3.431 691 HD13 LEU 94 3HD1 LEU 94 4.459 3.451 -4.616 692 HD21 LEU 94 1HD2 LEU 94 4.307 0.594 -2.298 693 HD22 LEU 94 2HD2 LEU 94 5.154 -0.573 -3.342 694 HD23 LEU 94 3HD2 LEU 94 6.073 0.699 -2.501 695 H SER 95 H SER 95 5.697 -1.275 -7.031 696 HA SER 95 HA SER 95 3.613 -2.997 -8.037 697 HB2 SER 95 1HB SER 95 6.642 -3.366 -7.969 698 HB3 SER 95 2HB SER 95 5.515 -4.438 -8.776 699 HG SER 95 HG SER 95 5.199 -1.751 -9.507 700 H LEU 96 H LEU 96 3.684 -5.387 -7.351 701 HA LEU 96 HA LEU 96 3.337 -5.580 -4.607 702 HB2 LEU 96 1HB LEU 96 3.341 -7.362 -6.936 703 HB3 LEU 96 2HB LEU 96 3.805 -8.156 -5.444 704 HG LEU 96 HG LEU 96 1.276 -6.517 -5.736 705 HD11 LEU 96 1HD1 LEU 96 1.257 -9.513 -5.713 706 HD12 LEU 96 2HD1 LEU 96 0.056 -8.365 -6.352 707 HD13 LEU 96 3HD1 LEU 96 1.575 -8.648 -7.236 708 HD21 LEU 96 1HD2 LEU 96 1.943 -8.622 -3.671 709 HD22 LEU 96 2HD2 LEU 96 2.249 -6.885 -3.435 710 HD23 LEU 96 3HD2 LEU 96 0.586 -7.470 -3.678 711 H GLY 97 H GLY 97 4.861 -5.274 -3.074 712 HA2 GLY 97 1HA GLY 97 6.694 -6.387 -1.959 713 HA3 GLY 97 2HA GLY 97 7.482 -6.573 -3.513 714 H ASP 98 H ASP 98 6.742 -3.873 -4.525 715 HA ASP 98 HA ASP 98 8.957 -2.508 -3.847 716 HB2 ASP 98 1HB ASP 98 6.226 -1.661 -4.836 717 HB3 ASP 98 2HB ASP 98 7.398 -0.417 -4.449 718 H VAL 99 H VAL 99 9.338 -0.620 -2.410 719 HA VAL 99 HA VAL 99 7.643 -0.732 -0.031 720 HB VAL 99 HB VAL 99 10.428 0.357 -0.485 721 HG11 VAL 99 1HG1 VAL 99 10.386 0.262 2.122 722 HG12 VAL 99 2HG1 VAL 99 9.636 1.643 1.286 723 HG13 VAL 99 3HG1 VAL 99 8.619 0.329 1.923 724 HG21 VAL 99 1HG2 VAL 99 9.368 -2.253 0.576 725 HG22 VAL 99 2HG2 VAL 99 10.694 -1.949 -0.573 726 HG23 VAL 99 3HG2 VAL 99 10.923 -1.612 1.160 727 H LEU 100 H LEU 100 7.165 1.366 1.083 728 HA LEU 100 HA LEU 100 7.172 3.651 -0.723 729 HB2 LEU 100 1HB LEU 100 5.082 2.689 -1.248 730 HB3 LEU 100 2HB LEU 100 4.720 2.342 0.432 731 HG LEU 100 HG LEU 100 4.510 4.757 0.894 732 HD11 LEU 100 1HD1 LEU 100 4.544 5.379 -2.034 733 HD12 LEU 100 2HD1 LEU 100 4.832 6.438 -0.632 734 HD13 LEU 100 3HD1 LEU 100 6.085 5.283 -1.149 735 HD21 LEU 100 1HD2 LEU 100 2.791 3.292 -1.025 736 HD22 LEU 100 2HD2 LEU 100 2.406 4.013 0.556 737 HD23 LEU 100 3HD2 LEU 100 2.512 5.045 -0.891 738 H TYR 101 H TYR 101 8.835 4.454 0.686 739 HA TYR 101 HA TYR 101 8.570 4.578 3.460 740 HB2 TYR 101 1HB TYR 101 9.932 6.388 1.368 741 HB3 TYR 101 2HB TYR 101 10.316 6.435 3.077 742 HD1 TYR 101 1HD TYR 101 11.327 4.362 4.164 743 HD2 TYR 101 2HD TYR 101 10.954 4.804 -0.076 744 HE1 TYR 101 1HE TYR 101 13.073 2.547 3.813 745 HE2 TYR 101 2HE TYR 101 12.701 2.988 -0.411 746 HH TYR 101 HH TYR 101 13.648 0.923 2.044 747 H LEU 102 H LEU 102 6.642 5.366 4.299 748 HA LEU 102 HA LEU 102 4.994 7.242 3.380 749 HB2 LEU 102 1HB LEU 102 5.518 5.998 5.848 750 HB3 LEU 102 2HB LEU 102 5.412 7.713 6.194 751 HG LEU 102 HG LEU 102 3.255 6.857 4.435 752 HD11 LEU 102 1HD1 LEU 102 3.824 5.223 6.863 753 HD12 LEU 102 2HD1 LEU 102 2.134 5.676 6.537 754 HD13 LEU 102 3HD1 LEU 102 3.062 4.768 5.320 755 HD21 LEU 102 1HD2 LEU 102 1.952 8.213 5.781 756 HD22 LEU 102 2HD2 LEU 102 2.932 7.899 7.234 757 HD23 LEU 102 3HD2 LEU 102 3.563 8.952 5.944 758 H VAL 103 H VAL 103 7.848 8.017 5.498 759 HA VAL 103 HA VAL 103 8.418 10.331 3.938 760 HB VAL 103 HB VAL 103 6.459 11.069 5.284 761 HG11 VAL 103 1HG1 VAL 103 6.743 9.794 7.304 762 HG12 VAL 103 2HG1 VAL 103 8.332 10.535 7.612 763 HG13 VAL 103 3HG1 VAL 103 6.854 11.521 7.720 764 HG21 VAL 103 1HG2 VAL 103 8.812 12.617 6.308 765 HG22 VAL 103 2HG2 VAL 103 8.571 12.487 4.549 766 HG23 VAL 103 3HG2 VAL 103 7.296 13.192 5.573 767 H ASN 104 H ASN 104 10.252 11.637 5.188 768 HA ASN 104 HA ASN 104 12.358 11.482 5.747 769 HB2 ASN 104 1HB ASN 104 10.734 10.836 8.005 770 HB3 ASN 104 2HB ASN 104 12.086 9.723 8.081 771 HD21 ASN 104 1HD2 ASN 104 11.022 12.998 8.287 772 HD22 ASN 104 2HD2 ASN 104 12.503 13.728 8.812 773 H GLY 105 H GLY 105 11.507 9.389 3.889 774 HA2 GLY 105 1HA GLY 105 12.089 7.373 3.067 775 HA3 GLY 105 2HA GLY 105 13.667 7.735 3.737 776 H LEU 106 H LEU 106 10.929 7.522 5.957 777 HA LEU 106 HA LEU 106 11.898 4.872 6.779 778 HB2 LEU 106 1HB LEU 106 11.090 7.269 8.406 779 HB3 LEU 106 2HB LEU 106 11.051 5.651 9.076 780 HG LEU 106 HG LEU 106 13.487 7.092 7.995 781 HD11 LEU 106 1HD1 LEU 106 14.121 6.563 10.532 782 HD12 LEU 106 2HD1 LEU 106 13.266 8.046 10.045 783 HD13 LEU 106 3HD1 LEU 106 12.354 6.673 10.717 784 HD21 LEU 106 1HD2 LEU 106 13.931 4.875 7.458 785 HD22 LEU 106 2HD2 LEU 106 14.671 5.059 9.066 786 HD23 LEU 106 3HD2 LEU 106 13.095 4.249 8.899 787 H TYR 107 H TYR 107 9.908 4.187 8.576 788 HA TYR 107 HA TYR 107 7.975 3.069 8.484 789 HB2 TYR 107 1HB TYR 107 6.832 5.606 7.227 790 HB3 TYR 107 2HB TYR 107 6.147 4.655 8.529 791 HD1 TYR 107 2HD TYR 107 8.010 4.508 10.628 792 HD2 TYR 107 1HD TYR 107 7.444 7.738 7.880 793 HE1 TYR 107 2HE TYR 107 8.991 6.131 12.322 794 HE2 TYR 107 1HE TYR 107 8.426 9.350 9.583 795 HH TYR 107 HH TYR 107 9.859 8.171 12.562 796 HA PRO 108 HA PRO 108 7.975 2.496 3.939 797 HB2 PRO 108 1HB PRO 108 9.286 0.102 3.793 798 HB3 PRO 108 2HB PRO 108 10.080 1.646 3.554 799 HG2 PRO 108 1HG PRO 108 10.195 -0.154 5.896 800 HG3 PRO 108 2HG PRO 108 11.282 1.149 5.459 801 HD2 PRO 108 1HD PRO 108 9.249 1.216 7.482 802 HD3 PRO 108 2HD PRO 108 10.258 2.553 6.964 803 H LEU 109 H LEU 109 6.144 1.814 3.022 804 HA LEU 109 HA LEU 109 4.795 -0.304 4.533 805 HB2 LEU 109 1HB LEU 109 3.816 1.977 2.840 806 HB3 LEU 109 2HB LEU 109 2.798 0.585 3.156 807 HG LEU 109 HG LEU 109 2.372 2.501 4.668 808 HD11 LEU 109 1HD1 LEU 109 1.560 0.596 5.629 809 HD12 LEU 109 2HD1 LEU 109 3.149 -0.205 5.666 810 HD13 LEU 109 3HD1 LEU 109 2.762 1.060 6.856 811 HD21 LEU 109 1HD2 LEU 109 5.148 1.928 5.742 812 HD22 LEU 109 2HD2 LEU 109 4.653 3.370 4.824 813 HD23 LEU 109 3HD2 LEU 109 3.964 3.062 6.436 814 H THR 110 H THR 110 5.631 -2.194 3.677 815 HA THR 110 HA THR 110 6.140 -2.492 0.901 816 HB THR 110 HB THR 110 5.872 -4.448 3.243 817 HG1 THR 110 1HG THR 110 8.086 -3.309 1.686 818 HG21 THR 110 1HG2 THR 110 5.651 -5.733 1.151 819 HG22 THR 110 2HG2 THR 110 6.984 -4.814 0.411 820 HG23 THR 110 3HG2 THR 110 7.312 -5.926 1.762 821 H LEU 111 H LEU 111 4.915 -3.203 -0.765 822 HA LEU 111 HA LEU 111 2.088 -3.496 -0.183 823 HB2 LEU 111 1HB LEU 111 2.768 -1.954 -1.919 824 HB3 LEU 111 2HB LEU 111 3.634 -3.222 -2.762 825 HG LEU 111 HG LEU 111 1.477 -4.410 -3.139 826 HD11 LEU 111 1HD1 LEU 111 0.238 -1.906 -1.963 827 HD12 LEU 111 2HD1 LEU 111 -0.638 -3.227 -2.773 828 HD13 LEU 111 3HD1 LEU 111 0.218 -3.534 -1.243 829 HD21 LEU 111 1HD2 LEU 111 2.550 -2.758 -4.751 830 HD22 LEU 111 2HD2 LEU 111 0.821 -3.108 -4.988 831 HD23 LEU 111 3HD2 LEU 111 1.323 -1.590 -4.206 832 H ARG 112 H ARG 112 1.003 -5.408 -0.170 833 HA ARG 112 HA ARG 112 2.433 -7.672 -1.301 834 HB2 ARG 112 1HB ARG 112 0.973 -7.530 1.381 835 HB3 ARG 112 2HB ARG 112 1.417 -9.049 0.628 836 HG2 ARG 112 1HG ARG 112 3.524 -6.906 1.025 837 HG3 ARG 112 2HG ARG 112 3.052 -7.914 2.378 838 HD2 ARG 112 1HD ARG 112 3.673 -9.953 1.164 839 HD3 ARG 112 2HD ARG 112 3.942 -9.052 -0.314 840 HE ARG 112 HE ARG 112 5.627 -7.844 1.568 841 HH11 ARG 112 2HH2 ARG 112 5.222 -11.083 0.254 842 HH12 ARG 112 1HH2 ARG 112 6.886 -11.515 0.463 843 HH21 ARG 112 2HH1 ARG 112 7.823 -8.413 1.844 844 HH22 ARG 112 1HH1 ARG 112 8.376 -9.986 1.374 845 H TRP 113 H TRP 113 0.786 -9.653 -1.496 846 HA TRP 113 HA TRP 113 -1.913 -8.671 -2.038 847 HB2 TRP 113 1HB TRP 113 -1.179 -8.479 -4.191 848 HB3 TRP 113 2HB TRP 113 0.026 -9.741 -4.028 849 HD1 TRP 113 HD TRP 113 -1.257 -12.371 -3.727 850 HE1 TRP 113 1HE TRP 113 -3.195 -13.428 -5.173 851 HE3 TRP 113 3HE TRP 113 -3.033 -7.959 -5.526 852 HZ2 TRP 113 2HZ TRP 113 -5.208 -12.325 -6.869 853 HZ3 TRP 113 3HZ TRP 113 -4.988 -8.038 -7.071 854 HH2 TRP 113 HH TRP 113 -6.069 -10.123 -7.747 855 H SER 114 H SER 114 -3.424 -10.112 -1.260 856 HA SER 114 HA SER 114 -2.440 -12.392 0.093 857 HB2 SER 114 1HB SER 114 -4.242 -11.495 1.237 858 HB3 SER 114 2HB SER 114 -5.067 -10.993 -0.225 859 HG SER 114 HG SER 114 -5.675 -13.207 -0.610 860 H GLY 115 H GLY 115 -2.347 -14.505 -0.632 861 HA2 GLY 115 1HA GLY 115 -4.054 -15.347 -2.837 862 HA3 GLY 115 2HA GLY 115 -2.332 -15.321 -3.159 863 HA PRO 116 HA PRO 116 -3.595 -19.107 -0.727 864 HB2 PRO 116 1HB PRO 116 -4.256 -20.916 -2.666 865 HB3 PRO 116 2HB PRO 116 -5.447 -20.005 -1.759 866 HG2 PRO 116 1HG PRO 116 -4.548 -19.619 -4.548 867 HG3 PRO 116 2HG PRO 116 -6.000 -19.021 -3.770 868 HD2 PRO 116 1HD PRO 116 -3.633 -17.518 -4.371 869 HD3 PRO 116 2HD PRO 116 -5.038 -16.952 -3.490 870 H SER 117 H SER 117 -2.327 -20.990 -0.304 871 HA SER 117 HA SER 117 -0.461 -22.095 -0.331 872 HB2 SER 117 1HB SER 117 -1.053 -22.912 -2.533 873 HB3 SER 117 2HB SER 117 -0.533 -21.424 -3.299 874 HG SER 117 HG SER 117 1.011 -23.247 -3.455 875 H SER 118 H SER 118 0.842 -20.829 1.026 876 HA SER 118 HA SER 118 2.704 -19.116 -0.393 877 HB2 SER 118 1HB SER 118 2.478 -17.309 1.162 878 HB3 SER 118 2HB SER 118 0.848 -17.739 0.686 879 HG SER 118 HG SER 118 2.208 -18.333 3.156 880 H GLY 119 H GLY 119 4.717 -18.676 0.973 881 HA2 GLY 119 1HA GLY 119 5.399 -19.729 3.357 882 HA3 GLY 119 2HA GLY 119 5.498 -21.124 2.301 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -36.609 -6.157 -5.391 2 HA2 GLY 1 1HA GLY 1 -37.943 -4.400 -7.231 3 HA3 GLY 1 2HA GLY 1 -36.228 -4.068 -7.098 4 H SER 2 H SER 2 -34.689 -5.520 -7.955 5 HA SER 2 HA SER 2 -35.381 -6.971 -10.105 6 HB2 SER 2 1HB SER 2 -33.164 -8.198 -9.729 7 HB3 SER 2 2HB SER 2 -33.079 -6.448 -9.763 8 HG SER 2 HG SER 2 -32.145 -6.605 -7.849 9 H SER 3 H SER 3 -35.035 -9.477 -10.395 10 HA SER 3 HA SER 3 -36.467 -10.763 -8.204 11 HB2 SER 3 1HB SER 3 -37.899 -10.842 -10.089 12 HB3 SER 3 2HB SER 3 -36.580 -11.122 -11.207 13 HG SER 3 HG SER 3 -37.411 -13.139 -11.025 14 H GLY 4 H GLY 4 -34.205 -11.491 -10.969 15 HA2 GLY 4 1HA GLY 4 -32.104 -12.486 -9.521 16 HA3 GLY 4 2HA GLY 4 -33.186 -13.851 -9.707 17 H SER 5 H SER 5 -31.656 -14.957 -11.084 18 HA SER 5 HA SER 5 -31.866 -14.030 -13.804 19 HB2 SER 5 1HB SER 5 -29.478 -13.668 -12.296 20 HB3 SER 5 2HB SER 5 -29.163 -15.023 -13.362 21 HG SER 5 HG SER 5 -28.760 -13.472 -14.797 22 H SER 6 H SER 6 -31.822 -15.772 -15.328 23 HA SER 6 HA SER 6 -31.830 -18.381 -14.032 24 HB2 SER 6 1HB SER 6 -33.902 -17.357 -15.327 25 HB3 SER 6 2HB SER 6 -33.024 -17.847 -16.762 26 HG SER 6 HG SER 6 -34.357 -19.411 -14.850 27 H GLY 7 H GLY 7 -30.052 -19.635 -14.447 28 HA2 GLY 7 1HA GLY 7 -28.997 -20.664 -16.542 29 HA3 GLY 7 2HA GLY 7 -28.472 -19.022 -16.859 30 H MET 8 H MET 8 -27.195 -21.792 -15.907 31 HA MET 8 HA MET 8 -26.176 -21.616 -13.439 32 HB2 MET 8 1HB MET 8 -25.460 -22.854 -16.002 33 HB3 MET 8 2HB MET 8 -24.002 -22.417 -15.134 34 HG2 MET 8 1HG MET 8 -25.685 -23.548 -13.155 35 HG3 MET 8 2HG MET 8 -25.925 -24.563 -14.563 36 HE1 MET 8 1HE MET 8 -23.926 -23.192 -11.931 37 HE2 MET 8 2HE MET 8 -23.671 -24.884 -11.443 38 HE3 MET 8 3HE MET 8 -22.295 -23.902 -12.000 39 H SER 9 H SER 9 -25.212 -19.946 -12.368 40 HA SER 9 HA SER 9 -22.987 -18.673 -13.667 41 HB2 SER 9 1HB SER 9 -24.788 -17.176 -14.323 42 HB3 SER 9 2HB SER 9 -25.438 -17.148 -12.696 43 HG SER 9 HG SER 9 -24.055 -15.604 -12.159 44 H GLN 10 H GLN 10 -21.449 -17.842 -12.138 45 HA GLN 10 HA GLN 10 -22.031 -17.417 -9.475 46 HB2 GLN 10 1HB GLN 10 -20.599 -19.525 -8.680 47 HB3 GLN 10 2HB GLN 10 -22.336 -19.633 -8.884 48 HG2 GLN 10 1HG GLN 10 -22.040 -20.554 -11.170 49 HG3 GLN 10 2HG GLN 10 -20.302 -20.375 -11.040 50 HE21 GLN 10 1HE2 GLN 10 -19.100 -21.763 -9.812 51 HE22 GLN 10 2HE2 GLN 10 -19.708 -23.237 -9.136 52 H LEU 11 H LEU 11 -20.362 -16.183 -8.657 53 HA LEU 11 HA LEU 11 -17.882 -16.228 -10.219 54 HB2 LEU 11 1HB LEU 11 -19.207 -14.069 -8.580 55 HB3 LEU 11 2HB LEU 11 -17.568 -13.946 -9.186 56 HG LEU 11 HG LEU 11 -19.271 -14.654 -11.377 57 HD11 LEU 11 1HD1 LEU 11 -20.877 -13.458 -9.580 58 HD12 LEU 11 2HD1 LEU 11 -20.213 -12.020 -10.393 59 HD13 LEU 11 3HD1 LEU 11 -21.055 -13.269 -11.341 60 HD21 LEU 11 1HD2 LEU 11 -17.049 -13.126 -10.938 61 HD22 LEU 11 2HD2 LEU 11 -17.999 -13.147 -12.442 62 HD23 LEU 11 3HD2 LEU 11 -18.292 -11.884 -11.223 63 H GLY 12 H GLY 12 -15.857 -15.688 -8.896 64 HA2 GLY 12 1HA GLY 12 -15.977 -17.245 -6.389 65 HA3 GLY 12 2HA GLY 12 -14.593 -17.123 -7.456 66 H SER 13 H SER 13 -13.011 -16.076 -6.301 67 HA SER 13 HA SER 13 -13.696 -13.417 -5.395 68 HB2 SER 13 1HB SER 13 -12.193 -15.423 -3.655 69 HB3 SER 13 2HB SER 13 -12.511 -13.749 -3.244 70 HG SER 13 HG SER 13 -14.898 -14.800 -3.873 71 H ARG 14 H ARG 14 -11.717 -12.035 -5.101 72 HA ARG 14 HA ARG 14 -9.500 -13.153 -6.624 73 HB2 ARG 14 1HB ARG 14 -10.681 -10.338 -6.636 74 HB3 ARG 14 2HB ARG 14 -9.086 -10.671 -7.281 75 HG2 ARG 14 1HG ARG 14 -9.919 -11.983 -9.055 76 HG3 ARG 14 2HG ARG 14 -11.401 -12.379 -8.209 77 HD2 ARG 14 1HD ARG 14 -12.474 -10.607 -9.144 78 HD3 ARG 14 2HD ARG 14 -11.261 -9.496 -8.541 79 HE ARG 14 HE ARG 14 -10.179 -10.907 -10.793 80 HH11 ARG 14 2HH2 ARG 14 -12.574 -8.444 -10.028 81 HH12 ARG 14 1HH2 ARG 14 -12.458 -7.670 -11.573 82 HH21 ARG 14 2HH1 ARG 14 -10.027 -9.886 -12.832 83 HH22 ARG 14 1HH1 ARG 14 -11.000 -8.495 -13.178 84 H GLY 15 H GLY 15 -7.330 -12.065 -6.106 85 HA2 GLY 15 1HA GLY 15 -6.726 -12.192 -3.415 86 HA3 GLY 15 2HA GLY 15 -5.756 -11.405 -4.644 87 H ARG 16 H ARG 16 -5.549 -10.218 -2.263 88 HA ARG 16 HA ARG 16 -7.115 -7.820 -2.660 89 HB2 ARG 16 1HB ARG 16 -6.703 -9.149 0.067 90 HB3 ARG 16 2HB ARG 16 -7.507 -7.615 -0.198 91 HG2 ARG 16 1HG ARG 16 -8.475 -10.122 -1.616 92 HG3 ARG 16 2HG ARG 16 -8.964 -9.793 0.034 93 HD2 ARG 16 1HD ARG 16 -9.271 -7.377 -1.573 94 HD3 ARG 16 2HD ARG 16 -10.090 -8.711 -2.358 95 HE ARG 16 HE ARG 16 -10.920 -9.017 0.233 96 HH11 ARG 16 2HH2 ARG 16 -10.816 -6.207 -1.882 97 HH12 ARG 16 1HH2 ARG 16 -12.175 -5.435 -1.135 98 HH21 ARG 16 2HH1 ARG 16 -12.713 -8.000 1.219 99 HH22 ARG 16 1HH1 ARG 16 -13.262 -6.462 0.640 100 H LEU 17 H LEU 17 -5.813 -5.991 -2.550 101 HA LEU 17 HA LEU 17 -3.031 -6.410 -1.940 102 HB2 LEU 17 1HB LEU 17 -4.604 -4.056 -2.980 103 HB3 LEU 17 2HB LEU 17 -2.884 -3.997 -2.653 104 HG LEU 17 HG LEU 17 -3.806 -6.202 -4.422 105 HD11 LEU 17 1HD1 LEU 17 -3.556 -3.447 -5.612 106 HD12 LEU 17 2HD1 LEU 17 -4.239 -4.929 -6.324 107 HD13 LEU 17 3HD1 LEU 17 -5.122 -4.071 -5.039 108 HD21 LEU 17 1HD2 LEU 17 -1.729 -5.359 -5.683 109 HD22 LEU 17 2HD2 LEU 17 -1.426 -4.364 -4.239 110 HD23 LEU 17 3HD2 LEU 17 -1.496 -6.137 -4.099 111 H TRP 18 H TRP 18 -1.886 -5.598 -0.189 112 HA TRP 18 HA TRP 18 -3.134 -3.764 1.620 113 HB2 TRP 18 1HB TRP 18 -2.935 -5.345 3.576 114 HB3 TRP 18 2HB TRP 18 -4.299 -5.581 2.500 115 HD1 TRP 18 HD TRP 18 -4.353 -7.896 1.096 116 HE1 TRP 18 1HE TRP 18 -3.069 -10.198 1.229 117 HE3 TRP 18 3HE TRP 18 -0.622 -6.239 4.127 118 HZ2 TRP 18 2HZ TRP 18 -0.691 -11.048 2.558 119 HZ3 TRP 18 3HZ TRP 18 1.141 -7.869 4.796 120 HH2 TRP 18 HH TRP 18 1.147 -10.201 4.061 121 H LEU 19 H LEU 19 -1.538 -3.181 3.378 122 HA LEU 19 HA LEU 19 1.166 -3.545 2.332 123 HB2 LEU 19 1HB LEU 19 0.209 -1.545 4.376 124 HB3 LEU 19 2HB LEU 19 1.737 -1.555 3.517 125 HG LEU 19 HG LEU 19 0.622 0.066 2.357 126 HD11 LEU 19 1HD1 LEU 19 1.292 -1.786 0.816 127 HD12 LEU 19 2HD1 LEU 19 -0.393 -2.358 0.854 128 HD13 LEU 19 3HD1 LEU 19 -0.016 -0.747 0.199 129 HD21 LEU 19 1HD2 LEU 19 -1.556 -0.622 3.728 130 HD22 LEU 19 2HD2 LEU 19 -1.619 0.449 2.307 131 HD23 LEU 19 3HD2 LEU 19 -2.030 -1.275 2.141 132 H GLN 20 H GLN 20 2.910 -4.178 3.715 133 HA GLN 20 HA GLN 20 1.936 -5.568 6.088 134 HB2 GLN 20 1HB GLN 20 2.911 -6.910 4.084 135 HB3 GLN 20 2HB GLN 20 4.471 -6.275 4.569 136 HG2 GLN 20 1HG GLN 20 4.308 -7.306 6.766 137 HG3 GLN 20 2HG GLN 20 2.623 -7.719 6.518 138 HE21 GLN 20 1HE2 GLN 20 2.341 -9.781 6.216 139 HE22 GLN 20 2HE2 GLN 20 3.345 -10.864 5.310 140 H SER 21 H SER 21 2.445 -4.424 7.907 141 HA SER 21 HA SER 21 4.695 -2.659 7.826 142 HB2 SER 21 1HB SER 21 3.702 -2.693 10.453 143 HB3 SER 21 2HB SER 21 3.304 -1.530 9.203 144 HG SER 21 HG SER 21 1.308 -2.275 9.387 145 HA PRO 22 HA PRO 22 7.405 -5.387 9.865 146 HB2 PRO 22 1HB PRO 22 9.215 -3.642 10.937 147 HB3 PRO 22 2HB PRO 22 9.243 -4.140 9.258 148 HG2 PRO 22 1HG PRO 22 8.353 -1.569 10.414 149 HG3 PRO 22 2HG PRO 22 8.788 -1.935 8.757 150 HD2 PRO 22 1HD PRO 22 6.137 -1.619 9.806 151 HD3 PRO 22 2HD PRO 22 6.569 -2.098 8.176 152 H THR 23 H THR 23 8.491 -5.988 11.982 153 HA THR 23 HA THR 23 6.589 -6.324 13.893 154 HB THR 23 HB THR 23 8.947 -7.346 13.658 155 HG1 THR 23 1HG THR 23 8.183 -6.173 16.237 156 HG21 THR 23 1HG2 THR 23 9.613 -4.818 15.258 157 HG22 THR 23 2HG2 THR 23 10.675 -6.239 15.114 158 HG23 THR 23 3HG2 THR 23 10.299 -5.260 13.677 159 H GLY 24 H GLY 24 5.999 -5.351 15.874 160 HA2 GLY 24 1HA GLY 24 5.493 -3.625 17.222 161 HA3 GLY 24 2HA GLY 24 7.041 -2.919 16.803 162 H GLY 25 H GLY 25 4.163 -3.688 14.728 163 HA2 GLY 25 1HA GLY 25 3.767 -0.807 14.292 164 HA3 GLY 25 2HA GLY 25 4.079 -1.845 12.915 165 HA PRO 26 HA PRO 26 -0.409 -1.939 13.838 166 HB2 PRO 26 1HB PRO 26 -1.340 -0.717 11.578 167 HB3 PRO 26 2HB PRO 26 -1.085 0.131 13.090 168 HG2 PRO 26 1HG PRO 26 0.552 0.196 10.629 169 HG3 PRO 26 2HG PRO 26 0.537 1.327 11.967 170 HD2 PRO 26 1HD PRO 26 2.511 -0.688 11.445 171 HD3 PRO 26 2HD PRO 26 2.432 0.365 12.843 172 HA PRO 27 HA PRO 27 -1.274 -5.298 11.387 173 HB2 PRO 27 1HB PRO 27 -3.971 -5.236 10.954 174 HB3 PRO 27 2HB PRO 27 -3.254 -5.790 12.454 175 HG2 PRO 27 1HG PRO 27 -4.631 -3.236 11.891 176 HG3 PRO 27 2HG PRO 27 -4.292 -3.982 13.440 177 HD2 PRO 27 1HD PRO 27 -2.896 -1.773 12.258 178 HD3 PRO 27 2HD PRO 27 -2.486 -2.594 13.751 179 HA PRO 28 HA PRO 28 -1.416 -4.574 7.205 180 HB2 PRO 28 1HB PRO 28 -2.611 -6.771 6.104 181 HB3 PRO 28 2HB PRO 28 -0.940 -6.752 6.631 182 HG2 PRO 28 1HG PRO 28 -3.280 -8.005 7.932 183 HG3 PRO 28 2HG PRO 28 -1.577 -8.322 8.197 184 HD2 PRO 28 1HD PRO 28 -3.323 -6.802 9.890 185 HD3 PRO 28 2HD PRO 28 -1.597 -7.022 10.093 186 H ILE 29 H ILE 29 -2.435 -2.854 6.402 187 HA ILE 29 HA ILE 29 -5.283 -2.756 6.706 188 HB ILE 29 HB ILE 29 -3.175 -0.927 5.602 189 HG12 ILE 29 1HG1 ILE 29 -4.912 0.275 7.514 190 HG13 ILE 29 2HG1 ILE 29 -4.472 -1.305 8.133 191 HG21 ILE 29 1HG2 ILE 29 -6.027 -0.961 4.916 192 HG22 ILE 29 2HG2 ILE 29 -5.464 0.590 5.583 193 HG23 ILE 29 3HG2 ILE 29 -4.666 -0.105 4.152 194 HD11 ILE 29 1HD1 ILE 29 -2.769 1.091 7.671 195 HD12 ILE 29 2HD1 ILE 29 -2.587 -0.223 8.858 196 HD13 ILE 29 3HD1 ILE 29 -2.036 -0.456 7.181 197 H PHE 30 H PHE 30 -6.847 -3.205 5.204 198 HA PHE 30 HA PHE 30 -5.868 -4.367 2.716 199 HB2 PHE 30 1HB PHE 30 -8.473 -4.383 4.338 200 HB3 PHE 30 2HB PHE 30 -8.425 -5.044 2.716 201 HD1 PHE 30 1HD PHE 30 -7.234 -5.478 6.162 202 HD2 PHE 30 2HD PHE 30 -7.350 -7.150 2.264 203 HE1 PHE 30 1HE PHE 30 -6.437 -7.674 7.080 204 HE2 PHE 30 2HE PHE 30 -6.552 -9.346 3.182 205 HZ PHE 30 HZ PHE 30 -6.105 -9.581 5.579 206 H LEU 31 H LEU 31 -5.591 -2.780 1.175 207 HA LEU 31 HA LEU 31 -7.068 -0.427 1.066 208 HB2 LEU 31 1HB LEU 31 -5.860 -1.686 -1.367 209 HB3 LEU 31 2HB LEU 31 -5.948 0.005 -0.916 210 HG LEU 31 HG LEU 31 -4.043 -2.115 0.028 211 HD11 LEU 31 1HD1 LEU 31 -3.914 0.481 -1.403 212 HD12 LEU 31 2HD1 LEU 31 -2.589 0.127 -0.269 213 HD13 LEU 31 3HD1 LEU 31 -2.944 -0.998 -1.602 214 HD21 LEU 31 1HD2 LEU 31 -4.196 -1.432 2.143 215 HD22 LEU 31 2HD2 LEU 31 -3.446 0.088 1.597 216 HD23 LEU 31 3HD2 LEU 31 -5.218 -0.041 1.708 217 HA PRO 32 HA PRO 32 -10.750 -1.573 -0.868 218 HB2 PRO 32 1HB PRO 32 -11.382 0.632 -2.355 219 HB3 PRO 32 2HB PRO 32 -11.646 0.534 -0.625 220 HG2 PRO 32 1HG PRO 32 -9.550 2.008 -2.099 221 HG3 PRO 32 2HG PRO 32 -10.091 2.228 -0.447 222 HD2 PRO 32 1HD PRO 32 -7.685 0.924 -1.306 223 HD3 PRO 32 2HD PRO 32 -8.284 1.042 0.336 224 H SER 33 H SER 33 -11.845 -2.411 -2.699 225 HA SER 33 HA SER 33 -9.890 -2.913 -4.775 226 HB2 SER 33 1HB SER 33 -11.431 -4.738 -5.468 227 HB3 SER 33 2HB SER 33 -10.959 -4.885 -3.787 228 HG SER 33 HG SER 33 -12.991 -4.561 -3.145 229 H ASP 34 H ASP 34 -13.106 -1.477 -4.138 230 HA ASP 34 HA ASP 34 -14.159 -1.243 -6.569 231 HB2 ASP 34 1HB ASP 34 -15.333 -0.304 -4.711 232 HB3 ASP 34 2HB ASP 34 -13.987 0.728 -4.268 233 H GLY 35 H GLY 35 -11.239 0.305 -5.287 234 HA2 GLY 35 1HA GLY 35 -9.615 0.979 -6.970 235 HA3 GLY 35 2HA GLY 35 -10.914 1.775 -7.835 236 H GLN 36 H GLN 36 -11.745 2.235 -4.653 237 HA GLN 36 HA GLN 36 -11.325 4.908 -4.659 238 HB2 GLN 36 1HB GLN 36 -11.932 2.847 -2.597 239 HB3 GLN 36 2HB GLN 36 -11.291 4.349 -1.964 240 HG2 GLN 36 1HG GLN 36 -13.041 5.618 -3.253 241 HG3 GLN 36 2HG GLN 36 -13.698 4.099 -3.830 242 HE21 GLN 36 1HE2 GLN 36 -15.286 3.241 -2.734 243 HE22 GLN 36 2HE2 GLN 36 -15.700 3.537 -1.078 244 H ALA 37 H ALA 37 -9.952 6.093 -2.796 245 HA ALA 37 HA ALA 37 -7.233 4.979 -2.932 246 HB1 ALA 37 1HB ALA 37 -7.808 7.031 -4.400 247 HB2 ALA 37 2HB ALA 37 -7.897 7.935 -2.869 248 HB3 ALA 37 3HB ALA 37 -6.376 7.144 -3.349 249 H LEU 38 H LEU 38 -6.374 4.527 -0.968 250 HA LEU 38 HA LEU 38 -7.752 5.622 1.356 251 HB2 LEU 38 1HB LEU 38 -7.106 3.096 0.797 252 HB3 LEU 38 2HB LEU 38 -5.607 3.571 1.571 253 HG LEU 38 HG LEU 38 -6.715 4.084 3.627 254 HD11 LEU 38 1HD1 LEU 38 -9.224 3.924 1.986 255 HD12 LEU 38 2HD1 LEU 38 -9.276 3.605 3.736 256 HD13 LEU 38 3HD1 LEU 38 -8.690 5.174 3.136 257 HD21 LEU 38 1HD2 LEU 38 -7.098 1.472 2.341 258 HD22 LEU 38 2HD2 LEU 38 -6.422 1.888 3.934 259 HD23 LEU 38 3HD2 LEU 38 -8.185 1.772 3.718 260 H VAL 39 H VAL 39 -6.992 7.549 2.055 261 HA VAL 39 HA VAL 39 -4.353 8.397 1.444 262 HB VAL 39 HB VAL 39 -6.766 9.444 2.795 263 HG11 VAL 39 1HG1 VAL 39 -5.519 10.107 4.598 264 HG12 VAL 39 2HG1 VAL 39 -3.995 10.142 3.677 265 HG13 VAL 39 3HG1 VAL 39 -5.174 11.464 3.498 266 HG21 VAL 39 1HG2 VAL 39 -6.662 11.061 1.189 267 HG22 VAL 39 2HG2 VAL 39 -4.884 11.141 1.222 268 HG23 VAL 39 3HG2 VAL 39 -5.699 9.813 0.361 269 H LEU 40 H LEU 40 -2.492 8.304 2.654 270 HA LEU 40 HA LEU 40 -2.767 6.972 5.259 271 HB2 LEU 40 1HB LEU 40 -0.712 6.756 3.082 272 HB3 LEU 40 2HB LEU 40 -0.296 6.375 4.741 273 HG LEU 40 HG LEU 40 -2.275 4.984 2.940 274 HD11 LEU 40 1HD1 LEU 40 0.349 4.328 4.194 275 HD12 LEU 40 2HD1 LEU 40 -0.839 3.017 4.004 276 HD13 LEU 40 3HD1 LEU 40 -0.288 3.932 2.580 277 HD21 LEU 40 1HD2 LEU 40 -2.631 3.516 5.074 278 HD22 LEU 40 2HD2 LEU 40 -2.177 5.005 5.938 279 HD23 LEU 40 3HD2 LEU 40 -3.578 5.005 4.840 280 H GLY 41 H GLY 41 -0.862 7.540 6.784 281 HA2 GLY 41 1HA GLY 41 0.819 9.555 6.796 282 HA3 GLY 41 2HA GLY 41 -0.681 10.461 6.830 283 H ARG 42 H ARG 42 -0.066 11.275 8.969 284 HA ARG 42 HA ARG 42 0.567 9.692 11.086 285 HB2 ARG 42 1HB ARG 42 -0.285 12.438 10.631 286 HB3 ARG 42 2HB ARG 42 -1.074 11.834 12.075 287 HG2 ARG 42 1HG ARG 42 1.201 11.036 12.900 288 HG3 ARG 42 2HG ARG 42 1.929 11.826 11.516 289 HD2 ARG 42 1HD ARG 42 1.905 13.205 13.674 290 HD3 ARG 42 2HD ARG 42 1.247 14.013 12.265 291 HE ARG 42 HE ARG 42 -0.277 13.036 14.603 292 HH11 ARG 42 2HH2 ARG 42 -0.390 14.331 11.334 293 HH12 ARG 42 1HH2 ARG 42 -2.035 14.860 11.463 294 HH21 ARG 42 2HH1 ARG 42 -2.446 13.733 14.775 295 HH22 ARG 42 1HH1 ARG 42 -3.212 14.518 13.434 296 H GLY 43 H GLY 43 -0.724 8.894 12.931 297 HA2 GLY 43 1HA GLY 43 -3.058 8.778 13.795 298 HA3 GLY 43 2HA GLY 43 -3.525 8.319 12.169 299 HA PRO 44 HA PRO 44 -2.413 4.539 14.518 300 HB2 PRO 44 1HB PRO 44 -4.877 3.365 14.655 301 HB3 PRO 44 2HB PRO 44 -4.200 4.325 15.955 302 HG2 PRO 44 1HG PRO 44 -6.321 5.050 14.028 303 HG3 PRO 44 2HG PRO 44 -5.931 5.798 15.564 304 HD2 PRO 44 1HD PRO 44 -5.287 6.799 12.955 305 HD3 PRO 44 2HD PRO 44 -4.797 7.485 14.491 306 H LEU 45 H LEU 45 -3.510 5.448 11.567 307 HA LEU 45 HA LEU 45 -4.055 2.989 10.376 308 HB2 LEU 45 1HB LEU 45 -2.918 5.532 9.207 309 HB3 LEU 45 2HB LEU 45 -3.518 4.179 8.270 310 HG LEU 45 HG LEU 45 -5.436 5.333 8.224 311 HD11 LEU 45 1HD1 LEU 45 -5.576 4.312 11.072 312 HD12 LEU 45 2HD1 LEU 45 -6.963 4.947 10.154 313 HD13 LEU 45 3HD1 LEU 45 -6.120 3.483 9.593 314 HD21 LEU 45 1HD2 LEU 45 -4.210 6.884 10.463 315 HD22 LEU 45 2HD2 LEU 45 -4.835 7.433 8.889 316 HD23 LEU 45 3HD2 LEU 45 -5.966 7.015 10.199 317 H THR 46 H THR 46 -0.971 4.920 10.301 318 HA THR 46 HA THR 46 0.425 2.368 9.842 319 HB THR 46 HB THR 46 2.158 3.841 8.771 320 HG1 THR 46 1HG THR 46 1.216 5.664 10.258 321 HG21 THR 46 1HG2 THR 46 -0.624 3.593 7.816 322 HG22 THR 46 2HG2 THR 46 0.157 5.076 7.217 323 HG23 THR 46 3HG2 THR 46 0.892 3.488 6.891 324 H GLN 47 H GLN 47 -0.493 4.185 12.360 325 HA GLN 47 HA GLN 47 0.240 4.461 14.384 326 HB2 GLN 47 1HB GLN 47 2.239 2.364 13.483 327 HB3 GLN 47 2HB GLN 47 2.322 3.043 15.096 328 HG2 GLN 47 1HG GLN 47 -0.433 2.297 14.431 329 HG3 GLN 47 2HG GLN 47 0.645 0.932 14.217 330 HE21 GLN 47 1HE2 GLN 47 -1.440 1.838 16.264 331 HE22 GLN 47 2HE2 GLN 47 -0.695 1.577 17.806 332 H VAL 48 H VAL 48 1.210 6.163 12.108 333 HA VAL 48 HA VAL 48 3.859 6.943 13.024 334 HB VAL 48 HB VAL 48 2.123 7.656 10.665 335 HG11 VAL 48 1HG1 VAL 48 3.112 9.655 10.541 336 HG12 VAL 48 2HG1 VAL 48 4.181 9.278 11.913 337 HG13 VAL 48 3HG1 VAL 48 4.652 8.807 10.262 338 HG21 VAL 48 1HG2 VAL 48 4.611 6.891 9.752 339 HG22 VAL 48 2HG2 VAL 48 4.382 5.848 11.176 340 HG23 VAL 48 3HG2 VAL 48 3.178 5.841 9.865 341 H THR 49 H THR 49 4.235 8.673 14.335 342 HA THR 49 HA THR 49 1.931 10.438 14.851 343 HB THR 49 HB THR 49 2.834 10.561 17.190 344 HG1 THR 49 1HG THR 49 4.940 9.890 17.276 345 HG21 THR 49 1HG2 THR 49 2.236 7.834 15.984 346 HG22 THR 49 2HG2 THR 49 2.720 7.964 17.692 347 HG23 THR 49 3HG2 THR 49 1.250 8.788 17.119 348 H ASP 50 H ASP 50 5.021 10.172 13.485 349 HA ASP 50 HA ASP 50 6.333 12.381 14.305 350 HB2 ASP 50 1HB ASP 50 6.732 10.536 12.368 351 HB3 ASP 50 2HB ASP 50 6.191 11.849 11.342 352 H ARG 51 H ARG 51 6.453 14.617 13.386 353 HA ARG 51 HA ARG 51 3.851 15.582 12.796 354 HB2 ARG 51 1HB ARG 51 6.572 16.950 13.056 355 HB3 ARG 51 2HB ARG 51 5.097 17.837 12.727 356 HG2 ARG 51 1HG ARG 51 4.096 17.106 14.834 357 HG3 ARG 51 2HG ARG 51 5.408 15.983 15.130 358 HD2 ARG 51 1HD ARG 51 6.082 18.907 14.748 359 HD3 ARG 51 2HD ARG 51 5.380 18.407 16.274 360 HE ARG 51 HE ARG 51 7.610 16.709 15.412 361 HH11 ARG 51 2HH2 ARG 51 6.710 19.628 17.159 362 HH12 ARG 51 1HH2 ARG 51 8.156 19.657 18.112 363 HH21 ARG 51 2HH1 ARG 51 9.518 16.746 16.670 364 HH22 ARG 51 1HH1 ARG 51 9.764 18.006 17.832 365 H LYS 52 H LYS 52 6.910 14.940 11.073 366 HA LYS 52 HA LYS 52 6.395 16.460 8.785 367 HB2 LYS 52 1HB LYS 52 8.060 13.951 9.153 368 HB3 LYS 52 2HB LYS 52 8.105 14.988 7.741 369 HG2 LYS 52 1HG LYS 52 8.388 16.546 10.219 370 HG3 LYS 52 2HG LYS 52 9.614 15.298 10.108 371 HD2 LYS 52 1HD LYS 52 10.113 16.104 7.738 372 HD3 LYS 52 2HD LYS 52 9.008 17.436 8.014 373 HE2 LYS 52 1HE LYS 52 11.117 18.365 8.566 374 HE3 LYS 52 2HE LYS 52 10.441 17.959 10.131 375 HZ1 LYS 52 1HZ LYS 52 12.767 16.992 8.974 376 HZ2 LYS 52 2HZ LYS 52 12.160 16.650 10.451 377 HZ3 LYS 52 3HZ LYS 52 11.758 15.723 9.169 378 H CYS 53 H CYS 53 4.816 13.686 10.069 379 HA CYS 53 HA CYS 53 3.995 12.721 7.476 380 HB2 CYS 53 1HB CYS 53 4.146 11.626 10.133 381 HB3 CYS 53 2HB CYS 53 2.498 11.481 9.556 382 HG CYS 53 HG CYS 53 2.825 10.014 7.634 383 H SER 54 H SER 54 2.136 13.426 6.460 384 HA SER 54 HA SER 54 0.400 15.124 8.062 385 HB2 SER 54 1HB SER 54 1.631 15.682 5.678 386 HB3 SER 54 2HB SER 54 0.100 15.065 5.092 387 HG SER 54 HG SER 54 0.669 17.443 6.494 388 H ARG 55 H ARG 55 -1.822 14.657 8.239 389 HA ARG 55 HA ARG 55 -2.699 12.186 8.251 390 HB2 ARG 55 1HB ARG 55 -3.886 14.763 8.353 391 HB3 ARG 55 2HB ARG 55 -4.831 13.893 7.162 392 HG2 ARG 55 1HG ARG 55 -4.488 12.003 9.211 393 HG3 ARG 55 2HG ARG 55 -4.692 13.508 10.085 394 HD2 ARG 55 1HD ARG 55 -6.866 13.865 9.256 395 HD3 ARG 55 2HD ARG 55 -6.582 12.933 7.800 396 HE ARG 55 HE ARG 55 -6.371 11.195 10.077 397 HH11 ARG 55 2HH2 ARG 55 -8.774 12.966 8.216 398 HH12 ARG 55 1HH2 ARG 55 -10.063 11.876 8.602 399 HH21 ARG 55 2HH1 ARG 55 -8.071 9.755 10.587 400 HH22 ARG 55 1HH1 ARG 55 -9.661 10.037 9.959 401 H ASN 56 H ASN 56 -2.426 14.286 5.364 402 HA ASN 56 HA ASN 56 -3.219 11.975 3.774 403 HB2 ASN 56 1HB ASN 56 -3.516 14.854 2.820 404 HB3 ASN 56 2HB ASN 56 -4.295 13.422 2.176 405 HD21 ASN 56 1HD2 ASN 56 -5.740 15.642 2.793 406 HD22 ASN 56 2HD2 ASN 56 -6.767 15.362 4.160 407 H GLN 57 H GLN 57 -0.632 11.923 4.341 408 HA GLN 57 HA GLN 57 1.020 13.725 3.044 409 HB2 GLN 57 1HB GLN 57 1.983 12.383 4.757 410 HB3 GLN 57 2HB GLN 57 1.383 10.892 4.060 411 HG2 GLN 57 1HG GLN 57 3.824 11.164 3.658 412 HG3 GLN 57 2HG GLN 57 2.932 11.104 2.151 413 HE21 GLN 57 1HE2 GLN 57 4.871 12.114 1.310 414 HE22 GLN 57 2HE2 GLN 57 5.051 13.836 1.369 415 H VAL 58 H VAL 58 -0.198 10.456 2.048 416 HA VAL 58 HA VAL 58 0.207 11.280 -0.721 417 HB VAL 58 HB VAL 58 1.070 8.916 -1.139 418 HG11 VAL 58 1HG1 VAL 58 2.601 11.170 0.123 419 HG12 VAL 58 2HG1 VAL 58 3.439 9.643 -0.244 420 HG13 VAL 58 3HG1 VAL 58 2.643 10.557 -1.548 421 HG21 VAL 58 1HG2 VAL 58 0.539 7.939 1.032 422 HG22 VAL 58 2HG2 VAL 58 2.292 7.867 0.736 423 HG23 VAL 58 3HG2 VAL 58 1.626 9.092 1.842 424 H GLU 59 H GLU 59 -0.887 9.517 -2.206 425 HA GLU 59 HA GLU 59 -3.294 8.640 -0.808 426 HB2 GLU 59 1HB GLU 59 -3.662 10.634 -2.307 427 HB3 GLU 59 2HB GLU 59 -3.130 9.674 -3.673 428 HG2 GLU 59 1HG GLU 59 -5.121 8.561 -3.817 429 HG3 GLU 59 2HG GLU 59 -5.200 8.292 -2.088 430 H LEU 60 H LEU 60 -3.218 6.437 -0.675 431 HA LEU 60 HA LEU 60 -1.865 4.988 -2.806 432 HB2 LEU 60 1HB LEU 60 -2.499 4.525 0.040 433 HB3 LEU 60 2HB LEU 60 -2.609 3.114 -0.993 434 HG LEU 60 HG LEU 60 -0.193 4.202 -1.760 435 HD11 LEU 60 1HD1 LEU 60 0.475 5.662 -0.215 436 HD12 LEU 60 2HD1 LEU 60 -0.827 5.202 0.908 437 HD13 LEU 60 3HD1 LEU 60 0.684 4.261 0.864 438 HD21 LEU 60 1HD2 LEU 60 0.810 2.324 -0.600 439 HD22 LEU 60 2HD2 LEU 60 -0.648 2.127 0.401 440 HD23 LEU 60 3HD2 LEU 60 -0.725 1.829 -1.352 441 H ILE 61 H ILE 61 -2.881 3.486 -4.154 442 HA ILE 61 HA ILE 61 -5.755 3.155 -3.789 443 HB ILE 61 HB ILE 61 -4.411 4.306 -6.225 444 HG12 ILE 61 1HG1 ILE 61 -6.920 5.331 -4.936 445 HG13 ILE 61 2HG1 ILE 61 -5.373 5.677 -4.189 446 HG21 ILE 61 1HG2 ILE 61 -6.674 2.486 -6.104 447 HG22 ILE 61 2HG2 ILE 61 -7.122 4.059 -6.806 448 HG23 ILE 61 3HG2 ILE 61 -5.785 3.119 -7.510 449 HD11 ILE 61 1HD1 ILE 61 -5.494 7.488 -5.629 450 HD12 ILE 61 2HD1 ILE 61 -4.706 6.323 -6.720 451 HD13 ILE 61 3HD1 ILE 61 -6.460 6.601 -6.832 452 H ALA 62 H ALA 62 -6.228 1.028 -3.860 453 HA ALA 62 HA ALA 62 -4.207 -0.815 -4.686 454 HB1 ALA 62 1HB ALA 62 -5.346 -2.109 -3.247 455 HB2 ALA 62 2HB ALA 62 -6.520 -0.790 -3.024 456 HB3 ALA 62 3HB ALA 62 -6.795 -2.024 -4.277 457 H ASP 63 H ASP 63 -3.864 -1.542 -6.721 458 HA ASP 63 HA ASP 63 -6.129 -1.319 -8.545 459 HB2 ASP 63 1HB ASP 63 -3.352 -0.412 -8.741 460 HB3 ASP 63 2HB ASP 63 -3.718 -1.523 -10.046 461 HA PRO 64 HA PRO 64 -4.992 -5.699 -8.286 462 HB2 PRO 64 1HB PRO 64 -7.531 -6.710 -8.343 463 HB3 PRO 64 2HB PRO 64 -6.681 -6.336 -6.857 464 HG2 PRO 64 1HG PRO 64 -8.868 -4.841 -8.168 465 HG3 PRO 64 2HG PRO 64 -8.306 -4.735 -6.512 466 HD2 PRO 64 1HD PRO 64 -7.770 -2.875 -8.628 467 HD3 PRO 64 2HD PRO 64 -7.114 -2.832 -7.004 468 H GLU 65 H GLU 65 -6.082 -3.696 -10.591 469 HA GLU 65 HA GLU 65 -6.974 -5.509 -12.499 470 HB2 GLU 65 1HB GLU 65 -6.503 -2.698 -12.302 471 HB3 GLU 65 2HB GLU 65 -5.629 -3.245 -13.718 472 HG2 GLU 65 1HG GLU 65 -7.709 -4.395 -14.539 473 HG3 GLU 65 2HG GLU 65 -8.578 -3.799 -13.139 474 H SER 66 H SER 66 -3.710 -4.196 -11.702 475 HA SER 66 HA SER 66 -2.624 -6.397 -13.250 476 HB2 SER 66 1HB SER 66 -2.071 -3.463 -13.610 477 HB3 SER 66 2HB SER 66 -0.713 -4.561 -13.765 478 HG SER 66 HG SER 66 -1.821 -4.161 -15.807 479 H ARG 67 H ARG 67 -3.127 -5.852 -10.337 480 HA ARG 67 HA ARG 67 -2.145 -5.977 -8.414 481 HB2 ARG 67 1HB ARG 67 0.219 -7.169 -9.950 482 HB3 ARG 67 2HB ARG 67 -0.091 -7.376 -8.237 483 HG2 ARG 67 1HG ARG 67 -2.334 -8.120 -10.086 484 HG3 ARG 67 2HG ARG 67 -0.921 -9.156 -10.130 485 HD2 ARG 67 1HD ARG 67 -1.692 -8.497 -7.363 486 HD3 ARG 67 2HD ARG 67 -3.009 -9.255 -8.236 487 HE ARG 67 HE ARG 67 -0.486 -10.510 -7.455 488 HH11 ARG 67 2HH2 ARG 67 -3.166 -10.643 -9.731 489 HH12 ARG 67 1HH2 ARG 67 -2.953 -12.326 -10.081 490 HH21 ARG 67 2HH1 ARG 67 -0.203 -12.730 -7.917 491 HH22 ARG 67 1HH1 ARG 67 -1.256 -13.521 -9.042 492 H THR 68 H THR 68 -2.011 -3.429 -9.094 493 HA THR 68 HA THR 68 0.702 -2.620 -8.341 494 HB THR 68 HB THR 68 0.431 -0.742 -10.084 495 HG1 THR 68 1HG THR 68 -1.241 -1.295 -11.686 496 HG21 THR 68 1HG2 THR 68 0.881 -3.641 -10.660 497 HG22 THR 68 2HG2 THR 68 0.432 -2.657 -12.074 498 HG23 THR 68 3HG2 THR 68 1.870 -2.233 -11.115 499 H VAL 69 H VAL 69 0.607 -0.080 -7.898 500 HA VAL 69 HA VAL 69 -1.932 0.688 -6.760 501 HB VAL 69 HB VAL 69 0.524 0.236 -5.054 502 HG11 VAL 69 1HG1 VAL 69 -0.250 1.814 -3.683 503 HG12 VAL 69 2HG1 VAL 69 -1.646 2.100 -4.750 504 HG13 VAL 69 3HG1 VAL 69 -1.742 0.867 -3.470 505 HG21 VAL 69 1HG2 VAL 69 -0.943 -1.333 -3.811 506 HG22 VAL 69 2HG2 VAL 69 -2.210 -1.085 -5.036 507 HG23 VAL 69 3HG2 VAL 69 -0.664 -1.838 -5.495 508 H ALA 70 H ALA 70 -2.160 2.921 -6.715 509 HA ALA 70 HA ALA 70 0.050 4.372 -7.932 510 HB1 ALA 70 1HB ALA 70 -2.164 6.071 -7.576 511 HB2 ALA 70 2HB ALA 70 -1.691 5.229 -9.071 512 HB3 ALA 70 3HB ALA 70 -2.862 4.479 -7.959 513 H VAL 71 H VAL 71 0.982 6.253 -6.988 514 HA VAL 71 HA VAL 71 0.247 6.713 -4.190 515 HB VAL 71 HB VAL 71 3.066 6.447 -5.254 516 HG11 VAL 71 1HG1 VAL 71 2.400 8.028 -3.235 517 HG12 VAL 71 2HG1 VAL 71 2.374 6.490 -2.339 518 HG13 VAL 71 3HG1 VAL 71 3.859 7.010 -3.170 519 HG21 VAL 71 1HG2 VAL 71 2.431 4.237 -5.176 520 HG22 VAL 71 2HG2 VAL 71 2.964 4.471 -3.494 521 HG23 VAL 71 3HG2 VAL 71 1.229 4.510 -3.891 522 H LYS 72 H LYS 72 -0.668 8.717 -4.337 523 HA LYS 72 HA LYS 72 0.797 10.694 -5.938 524 HB2 LYS 72 1HB LYS 72 -1.623 10.062 -6.530 525 HB3 LYS 72 2HB LYS 72 -2.089 10.902 -5.065 526 HG2 LYS 72 1HG LYS 72 -0.449 12.797 -6.132 527 HG3 LYS 72 2HG LYS 72 -0.953 12.011 -7.614 528 HD2 LYS 72 1HD LYS 72 -3.089 12.677 -5.594 529 HD3 LYS 72 2HD LYS 72 -2.385 14.005 -6.496 530 HE2 LYS 72 1HE LYS 72 -3.259 11.549 -8.024 531 HE3 LYS 72 2HE LYS 72 -4.497 12.644 -7.441 532 HZ1 LYS 72 1HZ LYS 72 -4.017 13.681 -9.343 533 HZ2 LYS 72 2HZ LYS 72 -2.790 14.351 -8.498 534 HZ3 LYS 72 3HZ LYS 72 -2.508 13.068 -9.469 535 H GLN 73 H GLN 73 1.937 12.191 -4.838 536 HA GLN 73 HA GLN 73 1.690 12.252 -2.011 537 HB2 GLN 73 1HB GLN 73 3.904 12.459 -2.908 538 HB3 GLN 73 2HB GLN 73 3.427 13.726 -4.022 539 HG2 GLN 73 1HG GLN 73 3.135 15.328 -2.227 540 HG3 GLN 73 2HG GLN 73 3.234 14.080 -1.001 541 HE21 GLN 73 1HE2 GLN 73 4.806 16.510 -1.380 542 HE22 GLN 73 2HE2 GLN 73 6.470 16.039 -1.479 543 H LEU 74 H LEU 74 0.207 13.451 -0.910 544 HA LEU 74 HA LEU 74 -0.812 15.851 -2.259 545 HB2 LEU 74 1HB LEU 74 -2.345 14.809 0.003 546 HB3 LEU 74 2HB LEU 74 -2.875 15.357 -1.575 547 HG LEU 74 HG LEU 74 -1.524 12.683 -1.275 548 HD11 LEU 74 1HD1 LEU 74 -4.501 12.801 -1.170 549 HD12 LEU 74 2HD1 LEU 74 -3.371 11.594 -0.511 550 HD13 LEU 74 3HD1 LEU 74 -3.596 13.151 0.322 551 HD21 LEU 74 1HD2 LEU 74 -3.700 13.526 -3.193 552 HD22 LEU 74 2HD2 LEU 74 -1.969 13.776 -3.524 553 HD23 LEU 74 3HD2 LEU 74 -2.604 12.128 -3.299 554 H GLY 75 H GLY 75 1.352 14.778 0.090 555 HA2 GLY 75 1HA GLY 75 0.813 16.868 2.035 556 HA3 GLY 75 2HA GLY 75 2.075 15.653 2.085 557 H VAL 76 H VAL 76 3.863 16.998 2.438 558 HA VAL 76 HA VAL 76 4.457 18.819 0.212 559 HB VAL 76 HB VAL 76 3.977 20.339 1.853 560 HG11 VAL 76 1HG1 VAL 76 3.354 19.269 3.768 561 HG12 VAL 76 2HG1 VAL 76 4.744 18.157 3.735 562 HG13 VAL 76 3HG1 VAL 76 4.957 19.831 4.301 563 HG21 VAL 76 1HG2 VAL 76 6.011 21.327 2.581 564 HG22 VAL 76 2HG2 VAL 76 6.849 19.757 2.621 565 HG23 VAL 76 3HG2 VAL 76 6.390 20.482 1.061 566 H ASN 77 H ASN 77 5.678 16.739 2.899 567 HA ASN 77 HA ASN 77 8.332 16.854 2.138 568 HB2 ASN 77 1HB ASN 77 6.628 14.928 3.740 569 HB3 ASN 77 2HB ASN 77 8.252 14.427 3.315 570 HD21 ASN 77 1HD2 ASN 77 6.295 16.331 5.339 571 HD22 ASN 77 2HD2 ASN 77 7.523 17.130 6.262 572 HA PRO 78 HA PRO 78 8.222 14.182 -1.348 573 HB2 PRO 78 1HB PRO 78 10.885 13.634 -1.623 574 HB3 PRO 78 2HB PRO 78 10.143 15.107 -2.215 575 HG2 PRO 78 1HG PRO 78 11.855 14.720 0.164 576 HG3 PRO 78 2HG PRO 78 11.462 16.207 -0.676 577 HD2 PRO 78 1HD PRO 78 10.361 15.299 1.812 578 HD3 PRO 78 2HD PRO 78 9.886 16.728 0.915 579 H SER 79 H SER 79 7.457 12.184 -1.581 580 HA SER 79 HA SER 79 8.359 10.347 0.463 581 HB2 SER 79 1HB SER 79 5.970 10.488 -1.380 582 HB3 SER 79 2HB SER 79 6.432 8.933 -0.716 583 HG SER 79 HG SER 79 5.105 9.670 0.857 584 H THR 80 H THR 80 8.827 8.030 -0.212 585 HA THR 80 HA THR 80 10.064 7.986 -2.888 586 HB THR 80 HB THR 80 10.974 6.690 -0.263 587 HG1 THR 80 1HG THR 80 11.842 8.883 -2.011 588 HG21 THR 80 1HG2 THR 80 12.267 6.830 -3.039 589 HG22 THR 80 2HG2 THR 80 13.074 6.242 -1.565 590 HG23 THR 80 3HG2 THR 80 11.689 5.349 -2.238 591 H VAL 81 H VAL 81 9.104 6.663 -4.285 592 HA VAL 81 HA VAL 81 7.458 4.522 -3.165 593 HB VAL 81 HB VAL 81 7.499 6.065 -5.738 594 HG11 VAL 81 1HG1 VAL 81 5.546 4.345 -6.309 595 HG12 VAL 81 2HG1 VAL 81 7.236 4.040 -6.777 596 HG13 VAL 81 3HG1 VAL 81 6.557 3.256 -5.330 597 HG21 VAL 81 1HG2 VAL 81 5.089 5.303 -4.096 598 HG22 VAL 81 2HG2 VAL 81 6.143 6.646 -3.593 599 HG23 VAL 81 3HG2 VAL 81 5.328 6.699 -5.175 600 H GLY 82 H GLY 82 9.463 3.308 -2.586 601 HA2 GLY 82 1HA GLY 82 10.391 1.247 -3.203 602 HA3 GLY 82 2HA GLY 82 10.321 1.705 -4.893 603 H VAL 83 H VAL 83 11.997 2.952 -5.840 604 HA VAL 83 HA VAL 83 14.200 3.639 -4.028 605 HB VAL 83 HB VAL 83 14.536 1.457 -5.227 606 HG11 VAL 83 1HG1 VAL 83 14.190 1.270 -7.421 607 HG12 VAL 83 2HG1 VAL 83 13.670 2.972 -7.465 608 HG13 VAL 83 3HG1 VAL 83 15.377 2.555 -7.749 609 HG21 VAL 83 1HG2 VAL 83 16.604 2.101 -4.624 610 HG22 VAL 83 2HG2 VAL 83 16.810 2.543 -6.336 611 HG23 VAL 83 3HG2 VAL 83 16.337 3.781 -5.149 612 H GLN 84 H GLN 84 11.846 5.059 -5.460 613 HA GLN 84 HA GLN 84 13.560 6.991 -6.813 614 HB2 GLN 84 1HB GLN 84 12.260 5.950 -8.548 615 HB3 GLN 84 2HB GLN 84 10.792 6.007 -7.592 616 HG2 GLN 84 1HG GLN 84 10.488 8.318 -7.928 617 HG3 GLN 84 2HG GLN 84 12.192 8.610 -8.219 618 HE21 GLN 84 1HE2 GLN 84 11.756 9.729 -10.105 619 HE22 GLN 84 2HE2 GLN 84 11.295 8.954 -11.584 620 H GLU 85 H GLU 85 13.126 9.215 -6.389 621 HA GLU 85 HA GLU 85 11.567 9.578 -3.990 622 HB2 GLU 85 1HB GLU 85 14.014 10.579 -4.810 623 HB3 GLU 85 2HB GLU 85 12.952 11.928 -5.161 624 HG2 GLU 85 1HG GLU 85 12.687 12.420 -2.955 625 HG3 GLU 85 2HG GLU 85 12.304 10.757 -2.554 626 H LEU 86 H LEU 86 9.643 10.731 -3.883 627 HA LEU 86 HA LEU 86 8.557 11.555 -6.459 628 HB2 LEU 86 1HB LEU 86 7.378 10.799 -3.806 629 HB3 LEU 86 2HB LEU 86 6.440 11.720 -4.964 630 HG LEU 86 HG LEU 86 7.479 8.904 -5.189 631 HD11 LEU 86 1HD1 LEU 86 5.371 8.710 -4.372 632 HD12 LEU 86 2HD1 LEU 86 4.831 10.256 -5.071 633 HD13 LEU 86 3HD1 LEU 86 4.969 8.812 -6.103 634 HD21 LEU 86 1HD2 LEU 86 8.177 9.709 -7.273 635 HD22 LEU 86 2HD2 LEU 86 6.575 8.997 -7.586 636 HD23 LEU 86 3HD2 LEU 86 6.753 10.763 -7.449 637 H LYS 87 H LYS 87 6.717 13.477 -5.755 638 HA LYS 87 HA LYS 87 8.168 15.512 -4.274 639 HB2 LYS 87 1HB LYS 87 7.903 15.457 -7.204 640 HB3 LYS 87 2HB LYS 87 7.336 16.946 -6.477 641 HG2 LYS 87 1HG LYS 87 9.452 17.390 -5.443 642 HG3 LYS 87 2HG LYS 87 10.003 15.740 -5.656 643 HD2 LYS 87 1HD LYS 87 9.613 16.333 -8.260 644 HD3 LYS 87 2HD LYS 87 9.847 17.969 -7.678 645 HE2 LYS 87 1HE LYS 87 11.821 15.951 -6.678 646 HE3 LYS 87 2HE LYS 87 11.903 16.301 -8.393 647 HZ1 LYS 87 1HZ LYS 87 11.811 18.444 -6.400 648 HZ2 LYS 87 2HZ LYS 87 13.220 17.763 -6.866 649 HZ3 LYS 87 3HZ LYS 87 12.287 18.537 -7.959 650 HA PRO 88 HA PRO 88 4.170 16.729 -3.185 651 HB2 PRO 88 1HB PRO 88 4.257 19.457 -3.054 652 HB3 PRO 88 2HB PRO 88 4.911 18.417 -1.804 653 HG2 PRO 88 1HG PRO 88 6.354 19.978 -3.858 654 HG3 PRO 88 2HG PRO 88 6.970 19.289 -2.369 655 HD2 PRO 88 1HD PRO 88 7.348 18.261 -5.020 656 HD3 PRO 88 2HD PRO 88 7.863 17.512 -3.522 657 H GLY 89 H GLY 89 2.808 15.919 -4.740 658 HA2 GLY 89 1HA GLY 89 0.923 16.827 -5.967 659 HA3 GLY 89 2HA GLY 89 2.015 17.976 -6.714 660 H LEU 90 H LEU 90 3.704 15.058 -6.313 661 HA LEU 90 HA LEU 90 3.362 14.471 -9.134 662 HB2 LEU 90 1HB LEU 90 5.568 14.694 -7.664 663 HB3 LEU 90 2HB LEU 90 5.260 12.993 -7.377 664 HG LEU 90 HG LEU 90 5.493 12.440 -9.668 665 HD11 LEU 90 1HD1 LEU 90 4.389 13.911 -11.002 666 HD12 LEU 90 2HD1 LEU 90 4.981 15.338 -10.119 667 HD13 LEU 90 3HD1 LEU 90 6.048 14.499 -11.271 668 HD21 LEU 90 1HD2 LEU 90 7.700 12.526 -9.497 669 HD22 LEU 90 2HD2 LEU 90 7.690 14.244 -9.964 670 HD23 LEU 90 3HD2 LEU 90 7.551 13.787 -8.249 671 H SER 91 H SER 91 3.647 11.869 -9.507 672 HA SER 91 HA SER 91 2.070 10.407 -7.627 673 HB2 SER 91 1HB SER 91 0.838 9.958 -10.213 674 HB3 SER 91 2HB SER 91 0.083 10.424 -8.702 675 HG SER 91 HG SER 91 1.098 12.089 -10.806 676 H GLY 92 H GLY 92 2.644 8.222 -7.691 677 HA2 GLY 92 1HA GLY 92 4.110 7.288 -10.076 678 HA3 GLY 92 2HA GLY 92 4.795 7.107 -8.474 679 H SER 93 H SER 93 4.708 4.735 -9.221 680 HA SER 93 HA SER 93 2.163 3.671 -8.309 681 HB2 SER 93 1HB SER 93 3.668 2.954 -10.839 682 HB3 SER 93 2HB SER 93 2.651 1.761 -10.057 683 HG SER 93 HG SER 93 1.919 4.216 -11.328 684 H LEU 94 H LEU 94 2.352 1.497 -7.324 685 HA LEU 94 HA LEU 94 5.128 0.863 -6.597 686 HB2 LEU 94 1HB LEU 94 2.993 1.700 -4.931 687 HB3 LEU 94 2HB LEU 94 3.260 -0.001 -4.604 688 HG LEU 94 HG LEU 94 5.833 1.099 -4.653 689 HD11 LEU 94 1HD1 LEU 94 4.696 3.344 -4.589 690 HD12 LEU 94 2HD1 LEU 94 4.070 2.903 -2.982 691 HD13 LEU 94 3HD1 LEU 94 5.826 3.020 -3.252 692 HD21 LEU 94 1HD2 LEU 94 5.865 0.556 -2.293 693 HD22 LEU 94 2HD2 LEU 94 4.086 0.519 -2.245 694 HD23 LEU 94 3HD2 LEU 94 4.977 -0.697 -3.192 695 H SER 95 H SER 95 5.777 -1.213 -6.959 696 HA SER 95 HA SER 95 3.754 -2.940 -8.092 697 HB2 SER 95 1HB SER 95 6.645 -3.742 -8.001 698 HB3 SER 95 2HB SER 95 5.464 -3.985 -9.273 699 HG SER 95 HG SER 95 5.582 -1.566 -9.583 700 H LEU 96 H LEU 96 3.442 -5.140 -7.334 701 HA LEU 96 HA LEU 96 3.266 -5.500 -4.667 702 HB2 LEU 96 1HB LEU 96 3.128 -7.132 -7.046 703 HB3 LEU 96 2HB LEU 96 3.820 -8.043 -5.718 704 HG LEU 96 HG LEU 96 1.189 -6.548 -5.564 705 HD11 LEU 96 1HD1 LEU 96 1.470 -8.617 -7.182 706 HD12 LEU 96 2HD1 LEU 96 1.331 -9.532 -5.662 707 HD13 LEU 96 3HD1 LEU 96 0.027 -8.426 -6.157 708 HD21 LEU 96 1HD2 LEU 96 0.840 -7.967 -3.543 709 HD22 LEU 96 2HD2 LEU 96 2.530 -8.506 -3.682 710 HD23 LEU 96 3HD2 LEU 96 2.165 -6.789 -3.386 711 H GLY 97 H GLY 97 4.784 -5.244 -3.118 712 HA2 GLY 97 1HA GLY 97 6.609 -6.382 -2.026 713 HA3 GLY 97 2HA GLY 97 7.400 -6.543 -3.581 714 H ASP 98 H ASP 98 6.745 -3.845 -4.578 715 HA ASP 98 HA ASP 98 8.950 -2.508 -3.808 716 HB2 ASP 98 1HB ASP 98 6.273 -1.622 -4.906 717 HB3 ASP 98 2HB ASP 98 7.454 -0.399 -4.481 718 H VAL 99 H VAL 99 9.303 -0.643 -2.344 719 HA VAL 99 HA VAL 99 7.518 -0.741 -0.036 720 HB VAL 99 HB VAL 99 10.308 0.369 -0.403 721 HG11 VAL 99 1HG1 VAL 99 9.225 1.640 1.317 722 HG12 VAL 99 2HG1 VAL 99 8.538 0.172 2.053 723 HG13 VAL 99 3HG1 VAL 99 10.293 0.461 2.115 724 HG21 VAL 99 1HG2 VAL 99 10.411 -1.688 1.451 725 HG22 VAL 99 2HG2 VAL 99 9.271 -2.298 0.227 726 HG23 VAL 99 3HG2 VAL 99 10.907 -1.787 -0.255 727 H LEU 100 H LEU 100 7.215 1.456 1.119 728 HA LEU 100 HA LEU 100 7.189 3.699 -0.711 729 HB2 LEU 100 1HB LEU 100 5.111 2.742 -1.297 730 HB3 LEU 100 2HB LEU 100 4.696 2.406 0.372 731 HG LEU 100 HG LEU 100 4.546 4.860 0.797 732 HD11 LEU 100 1HD1 LEU 100 4.548 5.318 -2.172 733 HD12 LEU 100 2HD1 LEU 100 4.763 6.479 -0.839 734 HD13 LEU 100 3HD1 LEU 100 6.073 5.348 -1.254 735 HD21 LEU 100 1HD2 LEU 100 2.635 3.262 0.005 736 HD22 LEU 100 2HD2 LEU 100 2.362 5.019 0.077 737 HD23 LEU 100 3HD2 LEU 100 2.701 4.234 -1.485 738 H TYR 101 H TYR 101 8.809 4.501 0.745 739 HA TYR 101 HA TYR 101 8.457 4.625 3.512 740 HB2 TYR 101 1HB TYR 101 9.906 6.411 1.459 741 HB3 TYR 101 2HB TYR 101 10.229 6.471 3.180 742 HD1 TYR 101 2HD TYR 101 11.269 4.482 4.321 743 HD2 TYR 101 1HD TYR 101 10.881 4.724 0.067 744 HE1 TYR 101 2HE TYR 101 13.012 2.650 4.051 745 HE2 TYR 101 1HE TYR 101 12.625 2.892 -0.189 746 HH TYR 101 HH TYR 101 13.560 0.930 2.331 747 H LEU 102 H LEU 102 6.544 5.453 4.324 748 HA LEU 102 HA LEU 102 4.906 7.304 3.364 749 HB2 LEU 102 1HB LEU 102 5.464 6.161 5.885 750 HB3 LEU 102 2HB LEU 102 5.307 7.886 6.149 751 HG LEU 102 HG LEU 102 3.181 6.884 4.429 752 HD11 LEU 102 1HD1 LEU 102 3.420 5.640 7.182 753 HD12 LEU 102 2HD1 LEU 102 1.991 5.563 6.123 754 HD13 LEU 102 3HD1 LEU 102 3.513 4.789 5.622 755 HD21 LEU 102 1HD2 LEU 102 2.746 8.013 7.166 756 HD22 LEU 102 2HD2 LEU 102 3.465 9.045 5.907 757 HD23 LEU 102 3HD2 LEU 102 1.865 8.311 5.648 758 H VAL 103 H VAL 103 7.737 8.166 5.480 759 HA VAL 103 HA VAL 103 8.379 10.383 3.830 760 HB VAL 103 HB VAL 103 6.491 11.431 4.805 761 HG11 VAL 103 1HG1 VAL 103 7.533 10.610 7.538 762 HG12 VAL 103 2HG1 VAL 103 6.062 11.556 7.202 763 HG13 VAL 103 3HG1 VAL 103 6.165 9.856 6.685 764 HG21 VAL 103 1HG2 VAL 103 8.602 12.760 4.691 765 HG22 VAL 103 2HG2 VAL 103 7.472 13.320 5.947 766 HG23 VAL 103 3HG2 VAL 103 8.901 12.360 6.399 767 H ASN 104 H ASN 104 10.215 11.695 4.929 768 HA ASN 104 HA ASN 104 12.227 11.656 5.739 769 HB2 ASN 104 1HB ASN 104 10.514 11.072 7.899 770 HB3 ASN 104 2HB ASN 104 11.766 9.855 8.047 771 HD21 ASN 104 1HD2 ASN 104 10.964 13.214 8.182 772 HD22 ASN 104 2HD2 ASN 104 12.459 13.819 8.814 773 H GLY 105 H GLY 105 11.335 9.407 3.940 774 HA2 GLY 105 1HA GLY 105 12.070 7.443 3.132 775 HA3 GLY 105 2HA GLY 105 13.612 7.851 3.857 776 H LEU 106 H LEU 106 10.893 7.670 6.060 777 HA LEU 106 HA LEU 106 11.882 5.052 6.953 778 HB2 LEU 106 1HB LEU 106 10.799 7.410 8.485 779 HB3 LEU 106 2HB LEU 106 10.923 5.807 9.182 780 HG LEU 106 HG LEU 106 13.225 7.475 8.130 781 HD11 LEU 106 1HD1 LEU 106 12.384 8.387 10.192 782 HD12 LEU 106 2HD1 LEU 106 12.370 6.777 10.951 783 HD13 LEU 106 3HD1 LEU 106 13.917 7.542 10.516 784 HD21 LEU 106 1HD2 LEU 106 13.158 4.687 9.296 785 HD22 LEU 106 2HD2 LEU 106 13.795 5.211 7.719 786 HD23 LEU 106 3HD2 LEU 106 14.632 5.681 9.218 787 H TYR 107 H TYR 107 9.829 4.304 8.648 788 HA TYR 107 HA TYR 107 7.963 3.086 8.476 789 HB2 TYR 107 1HB TYR 107 6.858 5.602 7.112 790 HB3 TYR 107 2HB TYR 107 6.023 4.571 8.257 791 HD1 TYR 107 2HD TYR 107 7.510 4.374 10.610 792 HD2 TYR 107 1HD TYR 107 7.362 7.704 7.928 793 HE1 TYR 107 2HE TYR 107 8.186 5.935 12.499 794 HE2 TYR 107 1HE TYR 107 8.038 9.254 9.827 795 HH TYR 107 HH TYR 107 8.595 7.964 13.094 796 HA PRO 108 HA PRO 108 8.263 2.388 3.961 797 HB2 PRO 108 1HB PRO 108 9.667 0.044 3.971 798 HB3 PRO 108 2HB PRO 108 10.418 1.610 3.736 799 HG2 PRO 108 1HG PRO 108 10.447 -0.118 6.135 800 HG3 PRO 108 2HG PRO 108 11.511 1.213 5.728 801 HD2 PRO 108 1HD PRO 108 9.351 1.258 7.615 802 HD3 PRO 108 2HD PRO 108 10.341 2.618 7.123 803 H LEU 109 H LEU 109 6.400 1.755 3.098 804 HA LEU 109 HA LEU 109 5.109 -0.457 4.513 805 HB2 LEU 109 1HB LEU 109 4.090 1.795 2.801 806 HB3 LEU 109 2HB LEU 109 3.113 0.376 3.121 807 HG LEU 109 HG LEU 109 2.552 2.217 4.624 808 HD11 LEU 109 1HD1 LEU 109 3.909 0.205 6.389 809 HD12 LEU 109 2HD1 LEU 109 2.298 0.949 6.532 810 HD13 LEU 109 3HD1 LEU 109 2.593 -0.305 5.304 811 HD21 LEU 109 1HD2 LEU 109 4.135 2.987 6.344 812 HD22 LEU 109 2HD2 LEU 109 5.418 2.011 5.589 813 HD23 LEU 109 3HD2 LEU 109 4.690 3.368 4.696 814 H THR 110 H THR 110 5.238 -2.449 3.644 815 HA THR 110 HA THR 110 6.072 -2.661 0.856 816 HB THR 110 HB THR 110 5.886 -4.618 3.204 817 HG1 THR 110 1HG THR 110 8.262 -4.398 2.820 818 HG21 THR 110 1HG2 THR 110 5.653 -6.019 1.253 819 HG22 THR 110 2HG2 THR 110 6.744 -4.988 0.296 820 HG23 THR 110 3HG2 THR 110 7.398 -6.004 1.603 821 H LEU 111 H LEU 111 4.749 -3.135 -0.785 822 HA LEU 111 HA LEU 111 1.969 -3.519 -0.180 823 HB2 LEU 111 1HB LEU 111 2.719 -2.030 -1.965 824 HB3 LEU 111 2HB LEU 111 3.469 -3.377 -2.799 825 HG LEU 111 HG LEU 111 1.206 -4.432 -3.026 826 HD11 LEU 111 1HD1 LEU 111 -0.781 -2.992 -2.711 827 HD12 LEU 111 2HD1 LEU 111 0.050 -3.375 -1.184 828 HD13 LEU 111 3HD1 LEU 111 0.254 -1.772 -1.930 829 HD21 LEU 111 1HD2 LEU 111 0.655 -3.249 -4.958 830 HD22 LEU 111 2HD2 LEU 111 1.187 -1.692 -4.278 831 HD23 LEU 111 3HD2 LEU 111 2.391 -2.919 -4.741 832 H ARG 112 H ARG 112 0.854 -5.414 -0.123 833 HA ARG 112 HA ARG 112 2.280 -7.731 -1.155 834 HB2 ARG 112 1HB ARG 112 0.740 -7.434 1.463 835 HB3 ARG 112 2HB ARG 112 1.071 -9.009 0.768 836 HG2 ARG 112 1HG ARG 112 3.278 -6.971 1.288 837 HG3 ARG 112 2HG ARG 112 2.768 -8.124 2.506 838 HD2 ARG 112 1HD ARG 112 3.393 -10.015 1.097 839 HD3 ARG 112 2HD ARG 112 3.647 -8.976 -0.291 840 HE ARG 112 HE ARG 112 5.369 -7.952 1.653 841 HH11 ARG 112 2HH2 ARG 112 4.909 -11.089 0.126 842 HH12 ARG 112 1HH2 ARG 112 6.570 -11.555 0.291 843 HH21 ARG 112 2HH1 ARG 112 7.559 -8.566 1.871 844 HH22 ARG 112 1HH1 ARG 112 8.087 -10.110 1.290 845 H TRP 113 H TRP 113 0.673 -9.661 -1.508 846 HA TRP 113 HA TRP 113 -2.018 -8.697 -2.120 847 HB2 TRP 113 1HB TRP 113 -1.135 -8.423 -4.229 848 HB3 TRP 113 2HB TRP 113 -0.013 -9.759 -4.065 849 HD1 TRP 113 HD TRP 113 -1.356 -12.325 -4.034 850 HE1 TRP 113 1HE TRP 113 -3.328 -13.212 -5.547 851 HE3 TRP 113 3HE TRP 113 -3.039 -7.738 -5.443 852 HZ2 TRP 113 2HZ TRP 113 -5.326 -11.925 -7.127 853 HZ3 TRP 113 3HZ TRP 113 -5.006 -7.642 -6.972 854 HH2 TRP 113 HH TRP 113 -6.140 -9.638 -7.810 855 H SER 114 H SER 114 -3.556 -10.199 -1.508 856 HA SER 114 HA SER 114 -2.593 -12.499 -0.157 857 HB2 SER 114 1HB SER 114 -4.454 -11.521 0.892 858 HB3 SER 114 2HB SER 114 -5.286 -11.220 -0.620 859 HG SER 114 HG SER 114 -4.795 -13.943 -0.016 860 H GLY 115 H GLY 115 -3.037 -14.733 -0.701 861 HA2 GLY 115 1HA GLY 115 -4.494 -15.933 -2.519 862 HA3 GLY 115 2HA GLY 115 -3.338 -15.155 -3.583 863 HA PRO 116 HA PRO 116 -1.537 -18.915 -1.357 864 HB2 PRO 116 1HB PRO 116 -2.766 -21.132 -2.377 865 HB3 PRO 116 2HB PRO 116 -3.180 -20.437 -0.823 866 HG2 PRO 116 1HG PRO 116 -4.669 -20.295 -3.373 867 HG3 PRO 116 2HG PRO 116 -5.246 -19.988 -1.746 868 HD2 PRO 116 1HD PRO 116 -4.597 -18.026 -3.736 869 HD3 PRO 116 2HD PRO 116 -5.062 -17.720 -2.074 870 H SER 117 H SER 117 0.163 -20.271 -2.115 871 HA SER 117 HA SER 117 0.607 -19.673 -4.926 872 HB2 SER 117 1HB SER 117 3.022 -20.202 -4.383 873 HB3 SER 117 2HB SER 117 2.376 -18.812 -3.532 874 HG SER 117 HG SER 117 3.006 -21.420 -2.528 875 H SER 118 H SER 118 1.243 -22.286 -2.465 876 HA SER 118 HA SER 118 1.605 -24.218 -4.484 877 HB2 SER 118 1HB SER 118 2.677 -24.356 -2.242 878 HB3 SER 118 2HB SER 118 1.104 -24.541 -1.491 879 HG SER 118 HG SER 118 0.887 -26.588 -2.309 880 H GLY 119 H GLY 119 0.203 -26.093 -4.921 881 HA2 GLY 119 1HA GLY 119 -1.893 -27.206 -4.440 882 HA3 GLY 119 2HA GLY 119 -2.623 -25.635 -4.175 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -23.968 20.573 -0.333 2 HA2 GLY 1 1HA GLY 1 -21.113 21.084 -0.078 3 HA3 GLY 1 2HA GLY 1 -22.255 20.713 1.199 4 H SER 2 H SER 2 -22.521 18.590 1.907 5 HA SER 2 HA SER 2 -20.780 16.685 0.572 6 HB2 SER 2 1HB SER 2 -21.013 17.375 3.253 7 HB3 SER 2 2HB SER 2 -21.973 15.911 3.173 8 HG SER 2 HG SER 2 -19.270 16.149 3.206 9 H SER 3 H SER 3 -21.574 14.614 -0.085 10 HA SER 3 HA SER 3 -24.410 14.184 0.316 11 HB2 SER 3 1HB SER 3 -23.004 14.164 -2.390 12 HB3 SER 3 2HB SER 3 -24.603 13.497 -2.126 13 HG SER 3 HG SER 3 -25.164 15.714 -1.254 14 H GLY 4 H GLY 4 -21.448 12.853 -1.342 15 HA2 GLY 4 1HA GLY 4 -20.813 10.770 0.190 16 HA3 GLY 4 2HA GLY 4 -22.232 10.144 -0.626 17 H SER 5 H SER 5 -19.197 9.543 -0.795 18 HA SER 5 HA SER 5 -19.207 9.041 -3.548 19 HB2 SER 5 1HB SER 5 -17.980 11.554 -2.667 20 HB3 SER 5 2HB SER 5 -16.800 10.516 -3.442 21 HG SER 5 HG SER 5 -18.169 12.037 -4.829 22 H SER 6 H SER 6 -16.886 9.785 -0.837 23 HA SER 6 HA SER 6 -15.551 7.291 -1.455 24 HB2 SER 6 1HB SER 6 -14.475 9.712 -0.962 25 HB3 SER 6 2HB SER 6 -14.577 9.155 0.697 26 HG SER 6 HG SER 6 -12.625 8.360 0.102 27 H GLY 7 H GLY 7 -15.114 5.703 0.256 28 HA2 GLY 7 1HA GLY 7 -16.281 6.013 2.854 29 HA3 GLY 7 2HA GLY 7 -17.249 4.990 1.811 30 H MET 8 H MET 8 -16.815 2.842 1.998 31 HA MET 8 HA MET 8 -14.037 2.066 2.160 32 HB2 MET 8 1HB MET 8 -16.199 1.541 4.232 33 HB3 MET 8 2HB MET 8 -14.966 0.321 3.986 34 HG2 MET 8 1HG MET 8 -13.185 1.872 4.565 35 HG3 MET 8 2HG MET 8 -14.272 3.246 4.507 36 HE1 MET 8 1HE MET 8 -16.393 3.249 5.602 37 HE2 MET 8 2HE MET 8 -16.969 2.017 6.750 38 HE3 MET 8 3HE MET 8 -16.189 3.499 7.352 39 H SER 9 H SER 9 -13.935 -0.510 2.079 40 HA SER 9 HA SER 9 -16.087 -1.908 1.083 41 HB2 SER 9 1HB SER 9 -15.537 -2.099 -1.311 42 HB3 SER 9 2HB SER 9 -15.903 -0.437 -0.896 43 HG SER 9 HG SER 9 -13.990 -0.627 -2.241 44 H GLN 10 H GLN 10 -15.225 -3.524 2.459 45 HA GLN 10 HA GLN 10 -12.572 -4.467 1.705 46 HB2 GLN 10 1HB GLN 10 -14.039 -4.279 4.297 47 HB3 GLN 10 2HB GLN 10 -13.099 -5.741 4.075 48 HG2 GLN 10 1HG GLN 10 -11.090 -4.630 4.182 49 HG3 GLN 10 2HG GLN 10 -11.674 -3.268 3.247 50 HE21 GLN 10 1HE2 GLN 10 -13.459 -1.980 4.408 51 HE22 GLN 10 2HE2 GLN 10 -13.148 -1.546 6.056 52 H LEU 11 H LEU 11 -13.622 -5.560 -0.184 53 HA LEU 11 HA LEU 11 -14.894 -8.060 0.689 54 HB2 LEU 11 1HB LEU 11 -15.522 -6.321 -1.693 55 HB3 LEU 11 2HB LEU 11 -16.036 -7.992 -1.568 56 HG LEU 11 HG LEU 11 -16.730 -6.210 0.715 57 HD11 LEU 11 1HD1 LEU 11 -18.088 -5.991 -1.986 58 HD12 LEU 11 2HD1 LEU 11 -18.707 -5.316 -0.460 59 HD13 LEU 11 3HD1 LEU 11 -17.176 -4.717 -1.141 60 HD21 LEU 11 1HD2 LEU 11 -18.924 -7.710 -0.289 61 HD22 LEU 11 2HD2 LEU 11 -17.492 -8.768 -0.305 62 HD23 LEU 11 3HD2 LEU 11 -17.989 -7.966 1.204 63 H GLY 12 H GLY 12 -13.478 -6.715 -2.373 64 HA2 GLY 12 1HA GLY 12 -11.622 -7.370 -3.508 65 HA3 GLY 12 2HA GLY 12 -11.209 -8.478 -2.214 66 H SER 13 H SER 13 -12.573 -8.147 -5.380 67 HA SER 13 HA SER 13 -14.117 -10.494 -5.359 68 HB2 SER 13 1HB SER 13 -14.493 -10.056 -7.635 69 HB3 SER 13 2HB SER 13 -14.172 -8.457 -6.994 70 HG SER 13 HG SER 13 -12.213 -8.383 -7.987 71 H ARG 14 H ARG 14 -10.797 -9.650 -6.564 72 HA ARG 14 HA ARG 14 -10.191 -12.481 -6.352 73 HB2 ARG 14 1HB ARG 14 -9.667 -10.618 -8.696 74 HB3 ARG 14 2HB ARG 14 -8.599 -11.979 -8.416 75 HG2 ARG 14 1HG ARG 14 -10.339 -13.579 -8.746 76 HG3 ARG 14 2HG ARG 14 -11.606 -12.396 -8.486 77 HD2 ARG 14 1HD ARG 14 -11.287 -11.392 -10.629 78 HD3 ARG 14 2HD ARG 14 -9.682 -12.071 -10.815 79 HE ARG 14 HE ARG 14 -10.628 -14.084 -11.575 80 HH11 ARG 14 2HH2 ARG 14 -13.127 -12.078 -10.121 81 HH12 ARG 14 1HH2 ARG 14 -14.429 -13.086 -10.659 82 HH21 ARG 14 2HH1 ARG 14 -12.345 -15.414 -12.285 83 HH22 ARG 14 1HH1 ARG 14 -13.981 -14.997 -11.898 84 H GLY 15 H GLY 15 -8.968 -12.254 -4.435 85 HA2 GLY 15 1HA GLY 15 -7.191 -11.762 -3.153 86 HA3 GLY 15 2HA GLY 15 -6.311 -11.413 -4.628 87 H ARG 16 H ARG 16 -6.984 -10.085 -1.736 88 HA ARG 16 HA ARG 16 -7.490 -7.445 -2.835 89 HB2 ARG 16 1HB ARG 16 -7.820 -6.907 -0.283 90 HB3 ARG 16 2HB ARG 16 -9.073 -7.811 -1.111 91 HG2 ARG 16 1HG ARG 16 -6.835 -9.382 0.157 92 HG3 ARG 16 2HG ARG 16 -8.012 -8.646 1.226 93 HD2 ARG 16 1HD ARG 16 -9.533 -9.837 -0.871 94 HD3 ARG 16 2HD ARG 16 -8.298 -11.011 -0.465 95 HE ARG 16 HE ARG 16 -9.265 -10.128 2.007 96 HH11 ARG 16 2HH2 ARG 16 -10.667 -11.621 -0.854 97 HH12 ARG 16 1HH2 ARG 16 -11.929 -12.419 0.025 98 HH21 ARG 16 2HH1 ARG 16 -10.929 -11.180 3.167 99 HH22 ARG 16 1HH1 ARG 16 -12.079 -12.167 2.327 100 H LEU 17 H LEU 17 -5.918 -5.821 -2.655 101 HA LEU 17 HA LEU 17 -3.299 -6.671 -1.893 102 HB2 LEU 17 1HB LEU 17 -4.384 -4.013 -2.832 103 HB3 LEU 17 2HB LEU 17 -2.687 -4.356 -2.560 104 HG LEU 17 HG LEU 17 -3.964 -6.297 -4.350 105 HD11 LEU 17 1HD1 LEU 17 -4.491 -4.952 -6.175 106 HD12 LEU 17 2HD1 LEU 17 -5.199 -4.076 -4.797 107 HD13 LEU 17 3HD1 LEU 17 -3.657 -3.532 -5.499 108 HD21 LEU 17 1HD2 LEU 17 -1.507 -4.536 -4.493 109 HD22 LEU 17 2HD2 LEU 17 -1.589 -6.271 -4.104 110 HD23 LEU 17 3HD2 LEU 17 -1.972 -5.708 -5.749 111 H TRP 18 H TRP 18 -1.923 -5.365 -0.358 112 HA TRP 18 HA TRP 18 -3.222 -3.801 1.620 113 HB2 TRP 18 1HB TRP 18 -2.801 -5.353 3.520 114 HB3 TRP 18 2HB TRP 18 -4.128 -5.806 2.469 115 HD1 TRP 18 HD TRP 18 -3.589 -7.950 0.737 116 HE1 TRP 18 1HE TRP 18 -2.055 -10.082 0.985 117 HE3 TRP 18 3HE TRP 18 -0.721 -6.097 4.505 118 HZ2 TRP 18 2HZ TRP 18 0.137 -10.740 2.690 119 HZ3 TRP 18 3HZ TRP 18 1.094 -7.549 5.405 120 HH2 TRP 18 HH TRP 18 1.544 -9.797 4.558 121 H LEU 19 H LEU 19 -1.491 -3.480 3.516 122 HA LEU 19 HA LEU 19 1.159 -3.539 2.247 123 HB2 LEU 19 1HB LEU 19 0.185 -1.424 4.158 124 HB3 LEU 19 2HB LEU 19 1.650 -1.423 3.196 125 HG LEU 19 HG LEU 19 -1.082 -1.420 1.912 126 HD11 LEU 19 1HD1 LEU 19 0.532 1.004 2.754 127 HD12 LEU 19 2HD1 LEU 19 -0.934 1.023 1.744 128 HD13 LEU 19 3HD1 LEU 19 -1.027 0.480 3.436 129 HD21 LEU 19 1HD2 LEU 19 0.635 -2.000 0.378 130 HD22 LEU 19 2HD2 LEU 19 0.219 -0.298 0.067 131 HD23 LEU 19 3HD2 LEU 19 1.700 -0.702 0.969 132 H GLN 20 H GLN 20 2.943 -4.075 3.570 133 HA GLN 20 HA GLN 20 2.127 -5.166 6.151 134 HB2 GLN 20 1HB GLN 20 2.842 -6.834 4.359 135 HB3 GLN 20 2HB GLN 20 4.444 -6.126 4.418 136 HG2 GLN 20 1HG GLN 20 4.747 -6.766 6.737 137 HG3 GLN 20 2HG GLN 20 3.054 -7.179 6.918 138 HE21 GLN 20 1HE2 GLN 20 3.974 -9.194 7.711 139 HE22 GLN 20 2HE2 GLN 20 4.362 -10.464 6.598 140 H SER 21 H SER 21 2.749 -3.708 7.702 141 HA SER 21 HA SER 21 5.019 -2.062 7.251 142 HB2 SER 21 1HB SER 21 4.446 -1.467 9.777 143 HB3 SER 21 2HB SER 21 3.420 -0.907 8.471 144 HG SER 21 HG SER 21 1.807 -2.090 9.230 145 HA PRO 22 HA PRO 22 7.908 -4.599 9.295 146 HB2 PRO 22 1HB PRO 22 9.844 -2.780 9.934 147 HB3 PRO 22 2HB PRO 22 9.680 -3.483 8.338 148 HG2 PRO 22 1HG PRO 22 8.952 -0.767 9.250 149 HG3 PRO 22 2HG PRO 22 9.195 -1.348 7.614 150 HD2 PRO 22 1HD PRO 22 6.681 -0.837 8.898 151 HD3 PRO 22 2HD PRO 22 6.924 -1.527 7.305 152 H THR 23 H THR 23 8.656 -5.408 11.275 153 HA THR 23 HA THR 23 8.683 -5.584 13.496 154 HB THR 23 HB THR 23 9.160 -2.875 13.040 155 HG1 THR 23 1HG THR 23 10.218 -3.364 14.938 156 HG21 THR 23 1HG2 THR 23 6.613 -2.601 13.728 157 HG22 THR 23 2HG2 THR 23 7.198 -3.016 15.357 158 HG23 THR 23 3HG2 THR 23 7.833 -1.578 14.523 159 H GLY 24 H GLY 24 7.101 -4.953 15.557 160 HA2 GLY 24 1HA GLY 24 4.604 -6.178 14.777 161 HA3 GLY 24 2HA GLY 24 5.157 -5.798 16.396 162 H GLY 25 H GLY 25 4.946 -3.566 13.561 163 HA2 GLY 25 1HA GLY 25 3.742 -1.504 15.056 164 HA3 GLY 25 2HA GLY 25 3.888 -1.597 13.312 165 HA PRO 26 HA PRO 26 -0.506 -1.987 13.850 166 HB2 PRO 26 1HB PRO 26 -1.212 -0.820 11.483 167 HB3 PRO 26 2HB PRO 26 -0.990 0.084 12.968 168 HG2 PRO 26 1HG PRO 26 0.793 -0.083 10.616 169 HG3 PRO 26 2HG PRO 26 0.776 1.111 11.898 170 HD2 PRO 26 1HD PRO 26 2.633 -1.054 11.595 171 HD3 PRO 26 2HD PRO 26 2.544 0.070 12.936 172 HA PRO 27 HA PRO 27 -1.414 -5.425 11.533 173 HB2 PRO 27 1HB PRO 27 -4.101 -5.280 11.055 174 HB3 PRO 27 2HB PRO 27 -3.427 -5.804 12.585 175 HG2 PRO 27 1HG PRO 27 -4.699 -3.223 11.906 176 HG3 PRO 27 2HG PRO 27 -4.411 -3.923 13.487 177 HD2 PRO 27 1HD PRO 27 -2.916 -1.813 12.246 178 HD3 PRO 27 2HD PRO 27 -2.559 -2.592 13.775 179 HA PRO 28 HA PRO 28 -1.469 -4.855 7.325 180 HB2 PRO 28 1HB PRO 28 -2.728 -7.047 6.287 181 HB3 PRO 28 2HB PRO 28 -1.065 -7.070 6.841 182 HG2 PRO 28 1HG PRO 28 -3.470 -8.186 8.150 183 HG3 PRO 28 2HG PRO 28 -1.783 -8.554 8.453 184 HD2 PRO 28 1HD PRO 28 -3.497 -6.909 10.061 185 HD3 PRO 28 2HD PRO 28 -1.782 -7.184 10.299 186 H ILE 29 H ILE 29 -2.467 -3.001 6.750 187 HA ILE 29 HA ILE 29 -5.329 -2.960 6.817 188 HB ILE 29 HB ILE 29 -3.198 -1.003 5.990 189 HG12 ILE 29 1HG1 ILE 29 -4.980 -0.062 8.015 190 HG13 ILE 29 2HG1 ILE 29 -4.473 -1.680 8.461 191 HG21 ILE 29 1HG2 ILE 29 -6.192 -0.538 5.933 192 HG22 ILE 29 2HG2 ILE 29 -4.918 0.659 5.602 193 HG23 ILE 29 3HG2 ILE 29 -5.148 -0.722 4.504 194 HD11 ILE 29 1HD1 ILE 29 -2.805 -0.228 9.370 195 HD12 ILE 29 2HD1 ILE 29 -2.061 -0.926 7.911 196 HD13 ILE 29 3HD1 ILE 29 -2.713 0.730 7.873 197 H PHE 30 H PHE 30 -6.734 -3.434 5.196 198 HA PHE 30 HA PHE 30 -5.540 -4.287 2.686 199 HB2 PHE 30 1HB PHE 30 -8.253 -4.515 4.099 200 HB3 PHE 30 2HB PHE 30 -8.078 -5.007 2.426 201 HD1 PHE 30 1HD PHE 30 -7.076 -5.753 5.884 202 HD2 PHE 30 2HD PHE 30 -6.954 -7.046 1.844 203 HE1 PHE 30 1HE PHE 30 -6.283 -8.014 6.632 204 HE2 PHE 30 2HE PHE 30 -6.162 -9.307 2.592 205 HZ PHE 30 HZ PHE 30 -5.836 -9.764 4.977 206 H LEU 31 H LEU 31 -5.352 -2.791 1.087 207 HA LEU 31 HA LEU 31 -6.762 -0.363 1.130 208 HB2 LEU 31 1HB LEU 31 -5.573 -1.425 -1.385 209 HB3 LEU 31 2HB LEU 31 -5.538 0.195 -0.719 210 HG LEU 31 HG LEU 31 -3.833 -2.179 0.020 211 HD11 LEU 31 1HD1 LEU 31 -3.434 0.460 -1.287 212 HD12 LEU 31 2HD1 LEU 31 -2.140 -0.114 -0.207 213 HD13 LEU 31 3HD1 LEU 31 -2.652 -1.110 -1.590 214 HD21 LEU 31 1HD2 LEU 31 -4.210 -1.514 2.172 215 HD22 LEU 31 2HD2 LEU 31 -2.877 -0.416 1.746 216 HD23 LEU 31 3HD2 LEU 31 -4.557 0.171 1.716 217 HA PRO 32 HA PRO 32 -10.396 -1.337 -0.983 218 HB2 PRO 32 1HB PRO 32 -10.900 0.895 -2.477 219 HB3 PRO 32 2HB PRO 32 -11.228 0.798 -0.758 220 HG2 PRO 32 1HG PRO 32 -9.032 2.206 -2.150 221 HG3 PRO 32 2HG PRO 32 -9.622 2.437 -0.516 222 HD2 PRO 32 1HD PRO 32 -7.234 1.054 -1.299 223 HD3 PRO 32 2HD PRO 32 -7.885 1.185 0.323 224 H SER 33 H SER 33 -11.392 -2.253 -2.792 225 HA SER 33 HA SER 33 -9.458 -2.484 -4.961 226 HB2 SER 33 1HB SER 33 -11.402 -4.405 -3.713 227 HB3 SER 33 2HB SER 33 -11.123 -4.563 -5.435 228 HG SER 33 HG SER 33 -9.015 -4.496 -3.447 229 H ASP 34 H ASP 34 -12.289 -0.929 -4.034 230 HA ASP 34 HA ASP 34 -13.763 -1.292 -6.427 231 HB2 ASP 34 1HB ASP 34 -13.947 0.561 -4.030 232 HB3 ASP 34 2HB ASP 34 -14.961 0.847 -5.431 233 H GLY 35 H GLY 35 -10.951 0.438 -5.529 234 HA2 GLY 35 1HA GLY 35 -9.816 1.588 -7.335 235 HA3 GLY 35 2HA GLY 35 -11.333 2.365 -7.741 236 H GLN 36 H GLN 36 -11.859 2.468 -4.625 237 HA GLN 36 HA GLN 36 -11.340 5.079 -4.260 238 HB2 GLN 36 1HB GLN 36 -11.857 2.755 -2.462 239 HB3 GLN 36 2HB GLN 36 -11.172 4.164 -1.677 240 HG2 GLN 36 1HG GLN 36 -12.982 5.592 -2.621 241 HG3 GLN 36 2HG GLN 36 -13.655 4.207 -3.458 242 HE21 GLN 36 1HE2 GLN 36 -15.597 4.663 -2.311 243 HE22 GLN 36 2HE2 GLN 36 -15.834 4.110 -0.686 244 H ALA 37 H ALA 37 -9.824 6.020 -2.411 245 HA ALA 37 HA ALA 37 -7.162 4.817 -2.741 246 HB1 ALA 37 1HB ALA 37 -7.433 7.779 -2.434 247 HB2 ALA 37 2HB ALA 37 -6.254 6.829 -3.371 248 HB3 ALA 37 3HB ALA 37 -7.898 7.082 -4.004 249 H LEU 38 H LEU 38 -6.104 4.416 -0.848 250 HA LEU 38 HA LEU 38 -7.446 5.288 1.581 251 HB2 LEU 38 1HB LEU 38 -6.665 2.879 0.958 252 HB3 LEU 38 2HB LEU 38 -5.085 3.445 1.461 253 HG LEU 38 HG LEU 38 -5.881 3.908 3.696 254 HD11 LEU 38 1HD1 LEU 38 -8.594 3.345 2.520 255 HD12 LEU 38 2HD1 LEU 38 -8.284 3.137 4.261 256 HD13 LEU 38 3HD1 LEU 38 -8.047 4.728 3.498 257 HD21 LEU 38 1HD2 LEU 38 -6.356 1.210 2.508 258 HD22 LEU 38 2HD2 LEU 38 -5.160 1.743 3.714 259 HD23 LEU 38 3HD2 LEU 38 -6.857 1.494 4.192 260 H VAL 39 H VAL 39 -6.914 7.402 2.011 261 HA VAL 39 HA VAL 39 -4.317 8.415 1.488 262 HB VAL 39 HB VAL 39 -6.877 9.353 2.637 263 HG11 VAL 39 1HG1 VAL 39 -5.791 10.256 4.437 264 HG12 VAL 39 2HG1 VAL 39 -4.223 10.332 3.597 265 HG13 VAL 39 3HG1 VAL 39 -5.479 11.544 3.249 266 HG21 VAL 39 1HG2 VAL 39 -5.417 9.711 0.276 267 HG22 VAL 39 2HG2 VAL 39 -6.889 10.581 0.770 268 HG23 VAL 39 3HG2 VAL 39 -5.287 11.267 1.132 269 H LEU 40 H LEU 40 -2.529 7.809 2.591 270 HA LEU 40 HA LEU 40 -2.864 6.921 5.341 271 HB2 LEU 40 1HB LEU 40 -1.183 6.219 3.136 272 HB3 LEU 40 2HB LEU 40 -0.169 6.758 4.460 273 HG LEU 40 HG LEU 40 -1.193 5.109 5.956 274 HD11 LEU 40 1HD1 LEU 40 -2.912 4.486 3.556 275 HD12 LEU 40 2HD1 LEU 40 -2.652 3.315 4.871 276 HD13 LEU 40 3HD1 LEU 40 -3.410 4.888 5.216 277 HD21 LEU 40 1HD2 LEU 40 0.288 4.424 3.514 278 HD22 LEU 40 2HD2 LEU 40 0.609 4.008 5.215 279 HD23 LEU 40 3HD2 LEU 40 -0.553 3.047 4.268 280 H GLY 41 H GLY 41 -0.819 7.598 6.783 281 HA2 GLY 41 1HA GLY 41 0.696 9.716 6.720 282 HA3 GLY 41 2HA GLY 41 -0.854 10.531 6.762 283 H ARG 42 H ARG 42 -0.171 11.438 8.864 284 HA ARG 42 HA ARG 42 0.541 9.904 11.005 285 HB2 ARG 42 1HB ARG 42 -0.327 12.643 10.504 286 HB3 ARG 42 2HB ARG 42 -1.047 12.076 11.997 287 HG2 ARG 42 1HG ARG 42 1.263 11.301 12.739 288 HG3 ARG 42 2HG ARG 42 1.927 12.052 11.301 289 HD2 ARG 42 1HD ARG 42 2.127 13.608 13.195 290 HD3 ARG 42 2HD ARG 42 0.996 14.264 12.027 291 HE ARG 42 HE ARG 42 -0.366 12.647 14.022 292 HH11 ARG 42 2HH2 ARG 42 1.038 15.822 13.450 293 HH12 ARG 42 1HH2 ARG 42 0.045 16.615 14.627 294 HH21 ARG 42 2HH1 ARG 42 -1.677 13.692 15.574 295 HH22 ARG 42 1HH1 ARG 42 -1.510 15.394 15.843 296 H GLY 43 H GLY 43 -0.701 9.161 12.904 297 HA2 GLY 43 1HA GLY 43 -2.993 9.068 13.853 298 HA3 GLY 43 2HA GLY 43 -3.534 8.610 12.250 299 HA PRO 44 HA PRO 44 -2.415 4.812 14.553 300 HB2 PRO 44 1HB PRO 44 -4.890 3.664 14.714 301 HB3 PRO 44 2HB PRO 44 -4.188 4.614 16.009 302 HG2 PRO 44 1HG PRO 44 -6.323 5.365 14.107 303 HG3 PRO 44 2HG PRO 44 -5.909 6.105 15.640 304 HD2 PRO 44 1HD PRO 44 -5.282 7.106 13.026 305 HD3 PRO 44 2HD PRO 44 -4.769 7.784 14.559 306 H LEU 45 H LEU 45 -3.397 5.757 11.611 307 HA LEU 45 HA LEU 45 -4.068 3.344 10.391 308 HB2 LEU 45 1HB LEU 45 -2.920 5.945 9.422 309 HB3 LEU 45 2HB LEU 45 -3.142 4.596 8.326 310 HG LEU 45 HG LEU 45 -5.605 4.610 9.271 311 HD11 LEU 45 1HD1 LEU 45 -6.415 6.836 9.843 312 HD12 LEU 45 2HD1 LEU 45 -5.184 6.291 11.008 313 HD13 LEU 45 3HD1 LEU 45 -4.758 7.480 9.754 314 HD21 LEU 45 1HD2 LEU 45 -6.296 5.946 7.406 315 HD22 LEU 45 2HD2 LEU 45 -4.709 6.749 7.324 316 HD23 LEU 45 3HD2 LEU 45 -4.853 5.020 6.926 317 H THR 46 H THR 46 -0.864 5.067 10.450 318 HA THR 46 HA THR 46 0.376 2.415 10.108 319 HB THR 46 HB THR 46 2.130 3.605 8.828 320 HG1 THR 46 1HG THR 46 0.378 5.916 9.218 321 HG21 THR 46 1HG2 THR 46 -0.735 3.795 8.050 322 HG22 THR 46 2HG2 THR 46 0.300 5.017 7.272 323 HG23 THR 46 3HG2 THR 46 0.666 3.286 7.078 324 H GLN 47 H GLN 47 -0.428 4.425 12.479 325 HA GLN 47 HA GLN 47 0.330 4.755 14.488 326 HB2 GLN 47 1HB GLN 47 2.598 2.867 13.715 327 HB3 GLN 47 2HB GLN 47 2.291 3.429 15.347 328 HG2 GLN 47 1HG GLN 47 -0.206 2.448 14.321 329 HG3 GLN 47 2HG GLN 47 1.013 1.258 13.911 330 HE21 GLN 47 1HE2 GLN 47 -1.239 1.535 15.961 331 HE22 GLN 47 2HE2 GLN 47 -0.538 1.040 17.465 332 H VAL 48 H VAL 48 1.352 6.214 11.935 333 HA VAL 48 HA VAL 48 3.927 7.190 12.740 334 HB VAL 48 HB VAL 48 1.983 7.963 10.560 335 HG11 VAL 48 1HG1 VAL 48 4.560 9.190 11.432 336 HG12 VAL 48 2HG1 VAL 48 4.287 9.009 9.682 337 HG13 VAL 48 3HG1 VAL 48 3.132 9.934 10.672 338 HG21 VAL 48 1HG2 VAL 48 3.331 6.718 9.080 339 HG22 VAL 48 2HG2 VAL 48 4.667 6.605 10.251 340 HG23 VAL 48 3HG2 VAL 48 3.167 5.686 10.520 341 H THR 49 H THR 49 4.368 8.947 13.997 342 HA THR 49 HA THR 49 2.141 10.784 14.546 343 HB THR 49 HB THR 49 3.101 10.760 16.965 344 HG1 THR 49 1HG THR 49 4.073 8.222 15.867 345 HG21 THR 49 1HG2 THR 49 0.977 9.568 16.521 346 HG22 THR 49 2HG2 THR 49 1.871 8.200 15.813 347 HG23 THR 49 3HG2 THR 49 2.014 8.554 17.552 348 H ASP 50 H ASP 50 4.687 10.682 12.778 349 HA ASP 50 HA ASP 50 6.301 12.679 14.008 350 HB2 ASP 50 1HB ASP 50 6.624 10.777 11.962 351 HB3 ASP 50 2HB ASP 50 6.620 12.301 11.096 352 H ARG 51 H ARG 51 6.138 14.924 13.628 353 HA ARG 51 HA ARG 51 3.811 15.904 12.521 354 HB2 ARG 51 1HB ARG 51 5.062 18.152 12.639 355 HB3 ARG 51 2HB ARG 51 4.971 17.254 14.141 356 HG2 ARG 51 1HG ARG 51 7.241 16.598 14.051 357 HG3 ARG 51 2HG ARG 51 7.342 16.807 12.314 358 HD2 ARG 51 1HD ARG 51 6.761 19.242 14.006 359 HD3 ARG 51 2HD ARG 51 8.396 18.614 13.998 360 HE ARG 51 HE ARG 51 7.583 18.738 11.292 361 HH11 ARG 51 2HH2 ARG 51 8.120 20.977 13.953 362 HH12 ARG 51 1HH2 ARG 51 8.546 22.301 12.920 363 HH21 ARG 51 2HH1 ARG 51 8.145 20.484 9.930 364 HH22 ARG 51 1HH1 ARG 51 8.560 22.019 10.617 365 H LYS 52 H LYS 52 6.995 15.155 11.143 366 HA LYS 52 HA LYS 52 6.869 16.757 8.864 367 HB2 LYS 52 1HB LYS 52 8.252 14.093 9.297 368 HB3 LYS 52 2HB LYS 52 8.564 15.193 7.969 369 HG2 LYS 52 1HG LYS 52 8.690 16.704 10.431 370 HG3 LYS 52 2HG LYS 52 9.661 15.260 10.632 371 HD2 LYS 52 1HD LYS 52 10.039 16.561 7.995 372 HD3 LYS 52 2HD LYS 52 10.479 17.592 9.342 373 HE2 LYS 52 1HE LYS 52 11.710 15.365 10.208 374 HE3 LYS 52 2HE LYS 52 11.673 14.947 8.506 375 HZ1 LYS 52 1HZ LYS 52 13.653 16.163 9.089 376 HZ2 LYS 52 2HZ LYS 52 12.764 17.025 8.024 377 HZ3 LYS 52 3HZ LYS 52 12.775 17.442 9.602 378 H CYS 53 H CYS 53 4.995 14.012 9.849 379 HA CYS 53 HA CYS 53 4.367 13.239 7.148 380 HB2 CYS 53 1HB CYS 53 4.111 12.058 9.775 381 HB3 CYS 53 2HB CYS 53 2.560 12.024 8.959 382 HG CYS 53 HG CYS 53 3.020 10.395 7.279 383 H SER 54 H SER 54 1.826 13.021 6.719 384 HA SER 54 HA SER 54 0.402 15.220 7.924 385 HB2 SER 54 1HB SER 54 1.688 15.705 5.562 386 HB3 SER 54 2HB SER 54 0.173 15.076 4.946 387 HG SER 54 HG SER 54 -0.323 16.855 6.985 388 H ARG 55 H ARG 55 -1.826 14.792 8.085 389 HA ARG 55 HA ARG 55 -2.751 12.341 8.141 390 HB2 ARG 55 1HB ARG 55 -3.992 15.007 7.719 391 HB3 ARG 55 2HB ARG 55 -5.005 13.685 7.175 392 HG2 ARG 55 1HG ARG 55 -4.263 12.630 9.550 393 HG3 ARG 55 2HG ARG 55 -4.038 14.320 9.957 394 HD2 ARG 55 1HD ARG 55 -6.592 13.712 8.533 395 HD3 ARG 55 2HD ARG 55 -6.451 12.990 10.123 396 HE ARG 55 HE ARG 55 -6.533 15.130 11.099 397 HH11 ARG 55 2HH2 ARG 55 -6.037 15.421 7.628 398 HH12 ARG 55 1HH2 ARG 55 -6.296 17.134 7.606 399 HH21 ARG 55 2HH1 ARG 55 -6.875 17.389 11.071 400 HH22 ARG 55 1HH1 ARG 55 -6.776 18.261 9.577 401 H ASN 56 H ASN 56 -2.261 14.304 5.212 402 HA ASN 56 HA ASN 56 -3.123 11.990 3.667 403 HB2 ASN 56 1HB ASN 56 -3.636 13.843 1.844 404 HB3 ASN 56 2HB ASN 56 -4.813 13.546 3.108 405 HD21 ASN 56 1HD2 ASN 56 -5.557 15.685 2.659 406 HD22 ASN 56 2HD2 ASN 56 -4.789 17.067 3.367 407 H GLN 57 H GLN 57 -0.583 11.792 4.212 408 HA GLN 57 HA GLN 57 1.146 13.554 2.902 409 HB2 GLN 57 1HB GLN 57 1.970 12.248 4.754 410 HB3 GLN 57 2HB GLN 57 1.485 10.740 4.005 411 HG2 GLN 57 1HG GLN 57 3.915 11.053 3.755 412 HG3 GLN 57 2HG GLN 57 3.145 11.091 2.181 413 HE21 GLN 57 1HE2 GLN 57 5.107 12.173 1.537 414 HE22 GLN 57 2HE2 GLN 57 5.272 13.886 1.736 415 H VAL 58 H VAL 58 -0.285 10.355 2.032 416 HA VAL 58 HA VAL 58 0.226 10.977 -0.753 417 HB VAL 58 HB VAL 58 1.113 8.626 -1.070 418 HG11 VAL 58 1HG1 VAL 58 2.395 11.012 -0.703 419 HG12 VAL 58 2HG1 VAL 58 3.195 9.994 0.518 420 HG13 VAL 58 3HG1 VAL 58 3.192 9.497 -1.190 421 HG21 VAL 58 1HG2 VAL 58 2.420 8.357 1.446 422 HG22 VAL 58 2HG2 VAL 58 0.678 8.543 1.762 423 HG23 VAL 58 3HG2 VAL 58 1.253 7.252 0.680 424 H GLU 59 H GLU 59 -1.074 9.580 -2.209 425 HA GLU 59 HA GLU 59 -3.371 8.538 -0.742 426 HB2 GLU 59 1HB GLU 59 -4.104 10.443 -1.986 427 HB3 GLU 59 2HB GLU 59 -3.171 9.992 -3.399 428 HG2 GLU 59 1HG GLU 59 -4.625 8.046 -3.806 429 HG3 GLU 59 2HG GLU 59 -5.493 8.334 -2.311 430 H LEU 60 H LEU 60 -3.030 6.335 -0.621 431 HA LEU 60 HA LEU 60 -1.811 4.966 -2.840 432 HB2 LEU 60 1HB LEU 60 -2.686 4.258 -0.070 433 HB3 LEU 60 2HB LEU 60 -2.444 2.977 -1.240 434 HG LEU 60 HG LEU 60 -0.179 4.760 -1.300 435 HD11 LEU 60 1HD1 LEU 60 -0.249 3.479 1.374 436 HD12 LEU 60 2HD1 LEU 60 0.511 4.997 0.839 437 HD13 LEU 60 3HD1 LEU 60 -1.238 4.945 1.167 438 HD21 LEU 60 1HD2 LEU 60 0.899 2.832 -1.614 439 HD22 LEU 60 2HD2 LEU 60 0.232 2.112 -0.130 440 HD23 LEU 60 3HD2 LEU 60 -0.711 2.073 -1.640 441 H ILE 61 H ILE 61 -2.811 3.439 -4.211 442 HA ILE 61 HA ILE 61 -5.702 3.187 -3.959 443 HB ILE 61 HB ILE 61 -4.257 4.331 -6.343 444 HG12 ILE 61 1HG1 ILE 61 -6.624 5.355 -4.748 445 HG13 ILE 61 2HG1 ILE 61 -4.969 5.889 -4.537 446 HG21 ILE 61 1HG2 ILE 61 -6.375 2.472 -6.424 447 HG22 ILE 61 2HG2 ILE 61 -7.093 4.066 -6.757 448 HG23 ILE 61 3HG2 ILE 61 -5.740 3.474 -7.751 449 HD11 ILE 61 1HD1 ILE 61 -6.669 7.168 -6.180 450 HD12 ILE 61 2HD1 ILE 61 -4.930 7.056 -6.543 451 HD13 ILE 61 3HD1 ILE 61 -6.076 5.946 -7.332 452 H ALA 62 H ALA 62 -6.058 1.041 -3.869 453 HA ALA 62 HA ALA 62 -4.094 -0.786 -4.840 454 HB1 ALA 62 1HB ALA 62 -6.385 -0.774 -3.085 455 HB2 ALA 62 2HB ALA 62 -6.550 -2.104 -4.257 456 HB3 ALA 62 3HB ALA 62 -5.097 -1.994 -3.235 457 H ASP 63 H ASP 63 -3.940 -1.684 -6.840 458 HA ASP 63 HA ASP 63 -6.313 -1.440 -8.517 459 HB2 ASP 63 1HB ASP 63 -3.429 -1.401 -9.505 460 HB3 ASP 63 2HB ASP 63 -4.868 -1.050 -10.441 461 HA PRO 64 HA PRO 64 -5.117 -5.805 -8.279 462 HB2 PRO 64 1HB PRO 64 -7.643 -6.839 -8.135 463 HB3 PRO 64 2HB PRO 64 -6.690 -6.435 -6.720 464 HG2 PRO 64 1HG PRO 64 -8.983 -4.979 -7.889 465 HG3 PRO 64 2HG PRO 64 -8.301 -4.844 -6.280 466 HD2 PRO 64 1HD PRO 64 -7.940 -3.011 -8.456 467 HD3 PRO 64 2HD PRO 64 -7.167 -2.938 -6.886 468 H GLU 65 H GLU 65 -6.364 -3.845 -10.530 469 HA GLU 65 HA GLU 65 -7.241 -5.839 -12.340 470 HB2 GLU 65 1HB GLU 65 -6.571 -2.887 -12.684 471 HB3 GLU 65 2HB GLU 65 -7.187 -3.884 -13.986 472 HG2 GLU 65 1HG GLU 65 -9.214 -4.420 -12.624 473 HG3 GLU 65 2HG GLU 65 -8.597 -3.434 -11.313 474 H SER 66 H SER 66 -4.170 -4.385 -11.436 475 HA SER 66 HA SER 66 -2.905 -6.079 -13.401 476 HB2 SER 66 1HB SER 66 -2.659 -3.075 -13.270 477 HB3 SER 66 2HB SER 66 -1.241 -4.007 -13.707 478 HG SER 66 HG SER 66 -3.526 -3.454 -15.194 479 H ARG 67 H ARG 67 -3.385 -5.738 -10.341 480 HA ARG 67 HA ARG 67 -2.308 -5.941 -8.475 481 HB2 ARG 67 1HB ARG 67 -0.245 -7.241 -10.317 482 HB3 ARG 67 2HB ARG 67 -0.124 -7.307 -8.570 483 HG2 ARG 67 1HG ARG 67 -1.602 -9.023 -8.491 484 HG3 ARG 67 2HG ARG 67 -2.817 -8.056 -9.303 485 HD2 ARG 67 1HD ARG 67 -2.010 -8.730 -11.501 486 HD3 ARG 67 2HD ARG 67 -0.576 -9.470 -10.817 487 HE ARG 67 HE ARG 67 -2.689 -10.790 -9.559 488 HH11 ARG 67 2HH2 ARG 67 -1.711 -10.261 -12.898 489 HH12 ARG 67 1HH2 ARG 67 -2.407 -11.740 -13.470 490 HH21 ARG 67 2HH1 ARG 67 -3.607 -12.741 -10.314 491 HH22 ARG 67 1HH1 ARG 67 -3.493 -13.161 -11.990 492 H THR 68 H THR 68 -2.116 -3.375 -9.057 493 HA THR 68 HA THR 68 0.654 -2.690 -8.408 494 HB THR 68 HB THR 68 0.219 -0.688 -10.087 495 HG1 THR 68 1HG THR 68 -1.513 -2.884 -10.984 496 HG21 THR 68 1HG2 THR 68 0.465 -3.438 -11.384 497 HG22 THR 68 2HG2 THR 68 1.199 -1.905 -11.914 498 HG23 THR 68 3HG2 THR 68 1.808 -2.728 -10.457 499 H VAL 69 H VAL 69 0.671 -0.155 -7.904 500 HA VAL 69 HA VAL 69 -1.796 0.612 -6.586 501 HB VAL 69 HB VAL 69 0.819 0.239 -5.112 502 HG11 VAL 69 1HG1 VAL 69 0.096 1.800 -3.693 503 HG12 VAL 69 2HG1 VAL 69 -1.422 1.985 -4.605 504 HG13 VAL 69 3HG1 VAL 69 -1.301 0.762 -3.317 505 HG21 VAL 69 1HG2 VAL 69 -1.844 -1.193 -4.824 506 HG22 VAL 69 2HG2 VAL 69 -0.340 -1.881 -5.482 507 HG23 VAL 69 3HG2 VAL 69 -0.428 -1.412 -3.767 508 H ALA 70 H ALA 70 -2.067 2.834 -6.567 509 HA ALA 70 HA ALA 70 0.103 4.327 -7.844 510 HB1 ALA 70 1HB ALA 70 -1.556 5.209 -9.073 511 HB2 ALA 70 2HB ALA 70 -2.728 4.184 -8.209 512 HB3 ALA 70 3HB ALA 70 -2.348 5.812 -7.597 513 H VAL 71 H VAL 71 1.031 6.133 -6.865 514 HA VAL 71 HA VAL 71 0.027 6.761 -4.179 515 HB VAL 71 HB VAL 71 2.918 6.472 -5.021 516 HG11 VAL 71 1HG1 VAL 71 3.550 7.073 -2.848 517 HG12 VAL 71 2HG1 VAL 71 2.249 8.225 -3.236 518 HG13 VAL 71 3HG1 VAL 71 1.913 6.820 -2.197 519 HG21 VAL 71 1HG2 VAL 71 2.950 4.538 -3.470 520 HG22 VAL 71 2HG2 VAL 71 1.190 4.702 -3.259 521 HG23 VAL 71 3HG2 VAL 71 1.861 4.288 -4.855 522 H LYS 72 H LYS 72 -0.727 8.811 -4.225 523 HA LYS 72 HA LYS 72 0.693 10.692 -5.979 524 HB2 LYS 72 1HB LYS 72 -1.766 10.065 -6.454 525 HB3 LYS 72 2HB LYS 72 -2.156 11.007 -5.030 526 HG2 LYS 72 1HG LYS 72 -0.589 12.837 -6.199 527 HG3 LYS 72 2HG LYS 72 -0.971 11.933 -7.652 528 HD2 LYS 72 1HD LYS 72 -3.241 12.689 -5.810 529 HD3 LYS 72 2HD LYS 72 -2.533 13.946 -6.804 530 HE2 LYS 72 1HE LYS 72 -3.196 11.347 -8.169 531 HE3 LYS 72 2HE LYS 72 -4.546 12.353 -7.682 532 HZ1 LYS 72 1HZ LYS 72 -3.205 14.197 -8.803 533 HZ2 LYS 72 2HZ LYS 72 -2.400 12.987 -9.548 534 HZ3 LYS 72 3HZ LYS 72 -4.014 13.138 -9.748 535 H GLN 73 H GLN 73 1.978 12.092 -4.917 536 HA GLN 73 HA GLN 73 1.817 12.290 -2.116 537 HB2 GLN 73 1HB GLN 73 3.980 12.489 -3.136 538 HB3 GLN 73 2HB GLN 73 3.436 13.734 -4.244 539 HG2 GLN 73 1HG GLN 73 3.281 15.381 -2.500 540 HG3 GLN 73 2HG GLN 73 3.346 14.171 -1.235 541 HE21 GLN 73 1HE2 GLN 73 5.005 16.559 -1.870 542 HE22 GLN 73 2HE2 GLN 73 6.649 16.014 -1.911 543 H LEU 74 H LEU 74 0.465 13.559 -0.927 544 HA LEU 74 HA LEU 74 -0.522 16.005 -2.220 545 HB2 LEU 74 1HB LEU 74 -2.176 14.548 -0.210 546 HB3 LEU 74 2HB LEU 74 -2.666 15.640 -1.489 547 HG LEU 74 HG LEU 74 -1.448 13.233 -2.580 548 HD11 LEU 74 1HD1 LEU 74 -2.821 12.705 -0.235 549 HD12 LEU 74 2HD1 LEU 74 -4.036 12.417 -1.504 550 HD13 LEU 74 3HD1 LEU 74 -2.482 11.550 -1.547 551 HD21 LEU 74 1HD2 LEU 74 -3.523 13.178 -3.889 552 HD22 LEU 74 2HD2 LEU 74 -4.203 14.465 -2.864 553 HD23 LEU 74 3HD2 LEU 74 -2.783 14.797 -3.885 554 H GLY 75 H GLY 75 1.725 15.028 -0.172 555 HA2 GLY 75 1HA GLY 75 0.982 16.783 2.067 556 HA3 GLY 75 2HA GLY 75 2.260 15.585 2.048 557 H VAL 76 H VAL 76 3.952 16.998 2.661 558 HA VAL 76 HA VAL 76 4.585 19.036 0.639 559 HB VAL 76 HB VAL 76 4.022 20.260 2.525 560 HG11 VAL 76 1HG1 VAL 76 3.774 18.344 4.067 561 HG12 VAL 76 2HG1 VAL 76 5.543 18.284 4.261 562 HG13 VAL 76 3HG1 VAL 76 4.634 19.708 4.823 563 HG21 VAL 76 1HG2 VAL 76 6.282 20.810 1.621 564 HG22 VAL 76 2HG2 VAL 76 6.078 21.241 3.336 565 HG23 VAL 76 3HG2 VAL 76 6.999 19.786 2.888 566 H ASN 77 H ASN 77 5.893 16.747 3.125 567 HA ASN 77 HA ASN 77 8.510 16.946 2.188 568 HB2 ASN 77 1HB ASN 77 6.970 15.013 3.941 569 HB3 ASN 77 2HB ASN 77 8.564 14.535 3.394 570 HD21 ASN 77 1HD2 ASN 77 6.715 16.559 5.457 571 HD22 ASN 77 2HD2 ASN 77 8.007 17.345 6.302 572 HA PRO 78 HA PRO 78 8.165 14.226 -1.245 573 HB2 PRO 78 1HB PRO 78 10.804 13.691 -1.711 574 HB3 PRO 78 2HB PRO 78 10.011 15.152 -2.263 575 HG2 PRO 78 1HG PRO 78 11.897 14.804 -0.014 576 HG3 PRO 78 2HG PRO 78 11.433 16.278 -0.839 577 HD2 PRO 78 1HD PRO 78 10.526 15.393 1.734 578 HD3 PRO 78 2HD PRO 78 9.975 16.808 0.858 579 H SER 79 H SER 79 7.493 12.189 -1.503 580 HA SER 79 HA SER 79 8.480 10.398 0.546 581 HB2 SER 79 1HB SER 79 6.042 10.452 -1.240 582 HB3 SER 79 2HB SER 79 6.555 8.927 -0.547 583 HG SER 79 HG SER 79 5.184 9.733 0.987 584 H THR 80 H THR 80 8.980 8.085 -0.121 585 HA THR 80 HA THR 80 10.163 8.050 -2.821 586 HB THR 80 HB THR 80 11.122 6.749 -0.217 587 HG1 THR 80 1HG THR 80 12.851 8.409 -0.704 588 HG21 THR 80 1HG2 THR 80 11.723 5.563 -2.448 589 HG22 THR 80 2HG2 THR 80 12.603 7.051 -2.870 590 HG23 THR 80 3HG2 THR 80 13.095 6.099 -1.449 591 H VAL 81 H VAL 81 9.176 6.734 -4.206 592 HA VAL 81 HA VAL 81 7.569 4.575 -3.070 593 HB VAL 81 HB VAL 81 7.605 6.016 -5.717 594 HG11 VAL 81 1HG1 VAL 81 7.037 4.036 -6.649 595 HG12 VAL 81 2HG1 VAL 81 6.611 3.301 -5.085 596 HG13 VAL 81 3HG1 VAL 81 5.448 4.362 -5.916 597 HG21 VAL 81 1HG2 VAL 81 6.423 6.964 -3.659 598 HG22 VAL 81 2HG2 VAL 81 5.443 6.780 -5.133 599 HG23 VAL 81 3HG2 VAL 81 5.291 5.598 -3.811 600 H GLY 82 H GLY 82 9.517 3.311 -2.513 601 HA2 GLY 82 1HA GLY 82 10.436 1.258 -3.173 602 HA3 GLY 82 2HA GLY 82 10.416 1.772 -4.848 603 H VAL 83 H VAL 83 12.119 3.060 -5.702 604 HA VAL 83 HA VAL 83 14.272 3.682 -3.813 605 HB VAL 83 HB VAL 83 14.685 1.519 -4.962 606 HG11 VAL 83 1HG1 VAL 83 14.314 1.248 -7.143 607 HG12 VAL 83 2HG1 VAL 83 13.766 2.938 -7.242 608 HG13 VAL 83 3HG1 VAL 83 15.476 2.539 -7.531 609 HG21 VAL 83 1HG2 VAL 83 16.742 2.239 -4.397 610 HG22 VAL 83 2HG2 VAL 83 16.926 2.597 -6.131 611 HG23 VAL 83 3HG2 VAL 83 16.439 3.885 -5.004 612 H GLN 84 H GLN 84 11.976 5.108 -5.357 613 HA GLN 84 HA GLN 84 13.757 7.055 -6.601 614 HB2 GLN 84 1HB GLN 84 12.597 6.099 -8.442 615 HB3 GLN 84 2HB GLN 84 11.087 5.989 -7.560 616 HG2 GLN 84 1HG GLN 84 10.609 8.279 -7.803 617 HG3 GLN 84 2HG GLN 84 12.295 8.726 -7.972 618 HE21 GLN 84 1HE2 GLN 84 9.591 8.808 -9.578 619 HE22 GLN 84 2HE2 GLN 84 10.077 8.471 -11.206 620 H GLU 85 H GLU 85 13.280 9.277 -6.200 621 HA GLU 85 HA GLU 85 11.623 9.623 -3.870 622 HB2 GLU 85 1HB GLU 85 14.052 10.754 -4.780 623 HB3 GLU 85 2HB GLU 85 12.887 12.059 -4.887 624 HG2 GLU 85 1HG GLU 85 12.729 12.256 -2.620 625 HG3 GLU 85 2HG GLU 85 12.571 10.526 -2.393 626 H LEU 86 H LEU 86 9.676 10.743 -3.826 627 HA LEU 86 HA LEU 86 8.621 11.477 -6.436 628 HB2 LEU 86 1HB LEU 86 7.430 10.820 -3.764 629 HB3 LEU 86 2HB LEU 86 6.493 11.704 -4.951 630 HG LEU 86 HG LEU 86 7.545 8.886 -5.102 631 HD11 LEU 86 1HD1 LEU 86 5.018 8.760 -5.978 632 HD12 LEU 86 2HD1 LEU 86 5.454 8.685 -4.253 633 HD13 LEU 86 3HD1 LEU 86 4.891 10.217 -4.964 634 HD21 LEU 86 1HD2 LEU 86 6.753 10.673 -7.400 635 HD22 LEU 86 2HD2 LEU 86 8.203 9.657 -7.217 636 HD23 LEU 86 3HD2 LEU 86 6.615 8.900 -7.484 637 H LYS 87 H LYS 87 6.768 13.420 -5.843 638 HA LYS 87 HA LYS 87 8.172 15.524 -4.422 639 HB2 LYS 87 1HB LYS 87 8.120 15.306 -7.328 640 HB3 LYS 87 2HB LYS 87 7.365 16.790 -6.782 641 HG2 LYS 87 1HG LYS 87 9.329 17.512 -5.625 642 HG3 LYS 87 2HG LYS 87 10.027 15.905 -5.615 643 HD2 LYS 87 1HD LYS 87 11.236 16.707 -7.397 644 HD3 LYS 87 2HD LYS 87 9.809 16.256 -8.309 645 HE2 LYS 87 1HE LYS 87 9.302 18.428 -8.784 646 HE3 LYS 87 2HE LYS 87 9.492 18.920 -7.113 647 HZ1 LYS 87 1HZ LYS 87 11.720 19.298 -7.416 648 HZ2 LYS 87 2HZ LYS 87 11.848 18.339 -8.731 649 HZ3 LYS 87 3HZ LYS 87 11.114 19.793 -8.849 650 HA PRO 88 HA PRO 88 4.139 16.821 -3.567 651 HB2 PRO 88 1HB PRO 88 4.189 19.551 -3.681 652 HB3 PRO 88 2HB PRO 88 4.823 18.636 -2.326 653 HG2 PRO 88 1HG PRO 88 6.299 20.027 -4.477 654 HG3 PRO 88 2HG PRO 88 6.885 19.485 -2.917 655 HD2 PRO 88 1HD PRO 88 7.344 18.228 -5.454 656 HD3 PRO 88 2HD PRO 88 7.830 17.625 -3.882 657 H GLY 89 H GLY 89 2.479 16.160 -4.774 658 HA2 GLY 89 1HA GLY 89 0.746 16.775 -6.212 659 HA3 GLY 89 2HA GLY 89 1.792 17.936 -7.005 660 H LEU 90 H LEU 90 3.606 15.119 -6.465 661 HA LEU 90 HA LEU 90 3.355 14.409 -9.259 662 HB2 LEU 90 1HB LEU 90 5.496 14.704 -7.706 663 HB3 LEU 90 2HB LEU 90 5.196 13.008 -7.385 664 HG LEU 90 HG LEU 90 5.549 12.389 -9.636 665 HD11 LEU 90 1HD1 LEU 90 4.449 13.772 -11.063 666 HD12 LEU 90 2HD1 LEU 90 4.964 15.250 -10.216 667 HD13 LEU 90 3HD1 LEU 90 6.097 14.403 -11.296 668 HD21 LEU 90 1HD2 LEU 90 7.523 13.590 -8.152 669 HD22 LEU 90 2HD2 LEU 90 7.769 12.648 -9.642 670 HD23 LEU 90 3HD2 LEU 90 7.661 14.423 -9.719 671 H SER 91 H SER 91 3.704 11.790 -9.516 672 HA SER 91 HA SER 91 2.098 10.354 -7.659 673 HB2 SER 91 1HB SER 91 0.886 9.853 -10.243 674 HB3 SER 91 2HB SER 91 0.118 10.341 -8.746 675 HG SER 91 HG SER 91 1.492 12.209 -10.474 676 H GLY 92 H GLY 92 2.725 8.187 -7.673 677 HA2 GLY 92 1HA GLY 92 4.236 7.249 -10.032 678 HA3 GLY 92 2HA GLY 92 4.867 7.063 -8.407 679 H SER 93 H SER 93 4.782 4.695 -9.285 680 HA SER 93 HA SER 93 2.212 3.622 -8.437 681 HB2 SER 93 1HB SER 93 2.265 1.946 -10.184 682 HB3 SER 93 2HB SER 93 2.461 3.514 -10.940 683 HG SER 93 HG SER 93 4.457 1.493 -10.462 684 H LEU 94 H LEU 94 2.361 1.429 -7.472 685 HA LEU 94 HA LEU 94 5.101 0.764 -6.653 686 HB2 LEU 94 1HB LEU 94 2.896 1.627 -5.034 687 HB3 LEU 94 2HB LEU 94 3.285 -0.034 -4.633 688 HG LEU 94 HG LEU 94 5.751 1.376 -4.797 689 HD11 LEU 94 1HD1 LEU 94 5.523 3.189 -3.272 690 HD12 LEU 94 2HD1 LEU 94 4.303 3.417 -4.547 691 HD13 LEU 94 3HD1 LEU 94 3.817 2.794 -2.952 692 HD21 LEU 94 1HD2 LEU 94 5.031 -0.629 -3.392 693 HD22 LEU 94 2HD2 LEU 94 6.083 0.577 -2.613 694 HD23 LEU 94 3HD2 LEU 94 4.338 0.556 -2.259 695 H SER 95 H SER 95 5.695 -1.313 -7.044 696 HA SER 95 HA SER 95 3.604 -3.020 -8.085 697 HB2 SER 95 1HB SER 95 6.491 -3.851 -8.103 698 HB3 SER 95 2HB SER 95 5.252 -4.111 -9.315 699 HG SER 95 HG SER 95 6.920 -1.843 -8.882 700 H LEU 96 H LEU 96 3.410 -5.278 -7.346 701 HA LEU 96 HA LEU 96 3.279 -5.598 -4.657 702 HB2 LEU 96 1HB LEU 96 3.137 -7.274 -7.021 703 HB3 LEU 96 2HB LEU 96 3.811 -8.148 -5.660 704 HG LEU 96 HG LEU 96 1.192 -6.630 -5.555 705 HD11 LEU 96 1HD1 LEU 96 0.042 -8.408 -6.310 706 HD12 LEU 96 2HD1 LEU 96 1.583 -8.833 -7.091 707 HD13 LEU 96 3HD1 LEU 96 1.136 -9.582 -5.540 708 HD21 LEU 96 1HD2 LEU 96 0.803 -7.679 -3.472 709 HD22 LEU 96 2HD2 LEU 96 2.188 -8.778 -3.677 710 HD23 LEU 96 3HD2 LEU 96 2.463 -7.041 -3.403 711 H GLY 97 H GLY 97 4.849 -5.274 -3.171 712 HA2 GLY 97 1HA GLY 97 6.716 -6.415 -2.122 713 HA3 GLY 97 2HA GLY 97 7.469 -6.542 -3.699 714 H ASP 98 H ASP 98 6.758 -3.862 -4.667 715 HA ASP 98 HA ASP 98 8.941 -2.480 -3.940 716 HB2 ASP 98 1HB ASP 98 6.208 -1.621 -4.926 717 HB3 ASP 98 2HB ASP 98 7.403 -0.395 -4.552 718 H VAL 99 H VAL 99 9.267 -0.576 -2.495 719 HA VAL 99 HA VAL 99 7.541 -0.735 -0.136 720 HB VAL 99 HB VAL 99 10.380 0.163 -0.607 721 HG11 VAL 99 1HG1 VAL 99 9.380 1.803 0.887 722 HG12 VAL 99 2HG1 VAL 99 8.719 0.507 1.912 723 HG13 VAL 99 3HG1 VAL 99 10.480 0.743 1.800 724 HG21 VAL 99 1HG2 VAL 99 10.095 -2.231 -0.344 725 HG22 VAL 99 2HG2 VAL 99 10.865 -1.563 1.116 726 HG23 VAL 99 3HG2 VAL 99 9.137 -1.989 1.137 727 H LEU 100 H LEU 100 7.075 1.365 1.002 728 HA LEU 100 HA LEU 100 7.094 3.659 -0.791 729 HB2 LEU 100 1HB LEU 100 5.004 2.737 -1.340 730 HB3 LEU 100 2HB LEU 100 4.640 2.328 0.325 731 HG LEU 100 HG LEU 100 4.414 4.721 0.875 732 HD11 LEU 100 1HD1 LEU 100 4.789 6.456 -0.556 733 HD12 LEU 100 2HD1 LEU 100 5.992 5.302 -1.179 734 HD13 LEU 100 3HD1 LEU 100 4.428 5.492 -2.008 735 HD21 LEU 100 1HD2 LEU 100 2.484 3.308 0.111 736 HD22 LEU 100 2HD2 LEU 100 2.281 5.060 -0.131 737 HD23 LEU 100 3HD2 LEU 100 2.692 4.012 -1.510 738 H TYR 101 H TYR 101 8.756 4.446 0.631 739 HA TYR 101 HA TYR 101 8.470 4.559 3.405 740 HB2 TYR 101 1HB TYR 101 9.874 6.346 1.322 741 HB3 TYR 101 2HB TYR 101 10.234 6.409 3.036 742 HD1 TYR 101 2HD TYR 101 11.189 4.318 4.158 743 HD2 TYR 101 1HD TYR 101 10.927 4.760 -0.089 744 HE1 TYR 101 2HE TYR 101 12.925 2.486 3.853 745 HE2 TYR 101 1HE TYR 101 12.663 2.927 -0.380 746 HH TYR 101 HH TYR 101 14.534 1.988 0.991 747 H LEU 102 H LEU 102 6.552 5.372 4.238 748 HA LEU 102 HA LEU 102 4.921 7.255 3.316 749 HB2 LEU 102 1HB LEU 102 5.389 5.995 5.758 750 HB3 LEU 102 2HB LEU 102 5.412 7.705 6.143 751 HG LEU 102 HG LEU 102 3.168 7.023 4.406 752 HD11 LEU 102 1HD1 LEU 102 3.518 5.485 6.978 753 HD12 LEU 102 2HD1 LEU 102 1.913 5.847 6.300 754 HD13 LEU 102 3HD1 LEU 102 3.078 4.883 5.361 755 HD21 LEU 102 1HD2 LEU 102 3.196 8.177 7.205 756 HD22 LEU 102 2HD2 LEU 102 3.493 9.125 5.727 757 HD23 LEU 102 3HD2 LEU 102 1.920 8.328 5.972 758 H VAL 103 H VAL 103 7.781 8.032 5.426 759 HA VAL 103 HA VAL 103 8.349 10.337 3.841 760 HB VAL 103 HB VAL 103 6.432 11.112 5.200 761 HG11 VAL 103 1HG1 VAL 103 8.266 10.412 7.508 762 HG12 VAL 103 2HG1 VAL 103 6.891 11.532 7.661 763 HG13 VAL 103 3HG1 VAL 103 6.609 9.836 7.201 764 HG21 VAL 103 1HG2 VAL 103 7.358 13.210 5.717 765 HG22 VAL 103 2HG2 VAL 103 8.936 12.510 6.151 766 HG23 VAL 103 3HG2 VAL 103 8.423 12.561 4.447 767 H ASN 104 H ASN 104 10.226 11.619 5.028 768 HA ASN 104 HA ASN 104 12.355 11.413 5.501 769 HB2 ASN 104 1HB ASN 104 11.639 9.770 7.946 770 HB3 ASN 104 2HB ASN 104 12.754 11.116 7.823 771 HD21 ASN 104 1HD2 ASN 104 11.519 13.146 6.799 772 HD22 ASN 104 2HD2 ASN 104 10.099 13.622 7.670 773 H GLY 105 H GLY 105 11.650 9.375 3.687 774 HA2 GLY 105 1HA GLY 105 12.071 7.254 3.000 775 HA3 GLY 105 2HA GLY 105 13.665 7.612 3.634 776 H LEU 106 H LEU 106 10.807 7.464 5.761 777 HA LEU 106 HA LEU 106 11.802 4.889 6.767 778 HB2 LEU 106 1HB LEU 106 11.047 7.396 8.225 779 HB3 LEU 106 2HB LEU 106 10.827 5.837 8.995 780 HG LEU 106 HG LEU 106 13.402 7.129 8.093 781 HD11 LEU 106 1HD1 LEU 106 12.072 6.557 10.673 782 HD12 LEU 106 2HD1 LEU 106 13.822 6.234 10.611 783 HD13 LEU 106 3HD1 LEU 106 13.201 7.855 10.216 784 HD21 LEU 106 1HD2 LEU 106 14.414 4.916 9.043 785 HD22 LEU 106 2HD2 LEU 106 12.834 4.226 8.599 786 HD23 LEU 106 3HD2 LEU 106 13.852 4.991 7.355 787 H TYR 107 H TYR 107 9.785 4.267 8.543 788 HA TYR 107 HA TYR 107 7.864 3.121 8.440 789 HB2 TYR 107 1HB TYR 107 6.721 5.643 7.152 790 HB3 TYR 107 2HB TYR 107 6.031 4.701 8.460 791 HD1 TYR 107 2HD TYR 107 7.875 4.581 10.573 792 HD2 TYR 107 1HD TYR 107 7.331 7.780 7.785 793 HE1 TYR 107 2HE TYR 107 8.842 6.223 12.257 794 HE2 TYR 107 1HE TYR 107 8.300 9.411 9.478 795 HH TYR 107 HH TYR 107 8.455 8.934 12.552 796 HA PRO 108 HA PRO 108 7.890 2.487 3.907 797 HB2 PRO 108 1HB PRO 108 9.168 0.073 3.810 798 HB3 PRO 108 2HB PRO 108 9.987 1.602 3.558 799 HG2 PRO 108 1HG PRO 108 10.048 -0.166 5.927 800 HG3 PRO 108 2HG PRO 108 11.159 1.115 5.484 801 HD2 PRO 108 1HD PRO 108 9.104 1.239 7.482 802 HD3 PRO 108 2HD PRO 108 10.138 2.554 6.958 803 H LEU 109 H LEU 109 6.167 1.672 2.856 804 HA LEU 109 HA LEU 109 4.742 -0.370 4.413 805 HB2 LEU 109 1HB LEU 109 3.793 1.930 2.732 806 HB3 LEU 109 2HB LEU 109 2.765 0.537 3.002 807 HG LEU 109 HG LEU 109 2.194 2.267 4.570 808 HD11 LEU 109 1HD1 LEU 109 2.618 -0.318 5.249 809 HD12 LEU 109 2HD1 LEU 109 3.643 0.503 6.451 810 HD13 LEU 109 3HD1 LEU 109 1.911 0.900 6.338 811 HD21 LEU 109 1HD2 LEU 109 3.750 3.189 6.193 812 HD22 LEU 109 2HD2 LEU 109 5.071 2.203 5.522 813 HD23 LEU 109 3HD2 LEU 109 4.329 3.486 4.536 814 H THR 110 H THR 110 5.623 -2.248 3.552 815 HA THR 110 HA THR 110 6.102 -2.532 0.764 816 HB THR 110 HB THR 110 5.887 -4.550 3.061 817 HG1 THR 110 1HG THR 110 7.509 -2.765 3.170 818 HG21 THR 110 1HG2 THR 110 5.860 -5.787 0.954 819 HG22 THR 110 2HG2 THR 110 7.091 -4.709 0.252 820 HG23 THR 110 3HG2 THR 110 7.531 -5.827 1.566 821 H LEU 111 H LEU 111 4.809 -3.117 -0.875 822 HA LEU 111 HA LEU 111 2.022 -3.398 -0.317 823 HB2 LEU 111 1HB LEU 111 2.593 -2.139 -2.209 824 HB3 LEU 111 2HB LEU 111 3.715 -3.350 -2.798 825 HG LEU 111 HG LEU 111 1.874 -4.842 -3.375 826 HD11 LEU 111 1HD1 LEU 111 0.007 -4.694 -2.165 827 HD12 LEU 111 2HD1 LEU 111 0.340 -3.011 -1.691 828 HD13 LEU 111 3HD1 LEU 111 -0.451 -3.357 -3.247 829 HD21 LEU 111 1HD2 LEU 111 1.501 -2.031 -4.445 830 HD22 LEU 111 2HD2 LEU 111 2.624 -3.267 -5.061 831 HD23 LEU 111 3HD2 LEU 111 0.867 -3.517 -5.191 832 H ARG 112 H ARG 112 0.735 -5.235 -0.413 833 HA ARG 112 HA ARG 112 2.088 -7.688 -1.120 834 HB2 ARG 112 1HB ARG 112 0.668 -7.146 1.528 835 HB3 ARG 112 2HB ARG 112 0.957 -8.773 0.946 836 HG2 ARG 112 1HG ARG 112 3.193 -6.721 1.250 837 HG3 ARG 112 2HG ARG 112 2.728 -7.805 2.546 838 HD2 ARG 112 1HD ARG 112 3.343 -9.765 1.269 839 HD3 ARG 112 2HD ARG 112 3.450 -8.854 -0.224 840 HE ARG 112 HE ARG 112 5.297 -7.618 1.468 841 HH11 ARG 112 2HH2 ARG 112 4.805 -10.889 0.267 842 HH12 ARG 112 1HH2 ARG 112 6.486 -11.301 0.328 843 HH21 ARG 112 2HH1 ARG 112 7.515 -8.162 1.549 844 HH22 ARG 112 1HH1 ARG 112 8.038 -9.740 1.062 845 H TRP 113 H TRP 113 0.573 -9.426 -1.735 846 HA TRP 113 HA TRP 113 -2.150 -8.413 -2.201 847 HB2 TRP 113 1HB TRP 113 -1.270 -8.472 -4.326 848 HB3 TRP 113 2HB TRP 113 -0.240 -9.850 -3.994 849 HD1 TRP 113 HD TRP 113 -1.840 -12.269 -3.536 850 HE1 TRP 113 1HE TRP 113 -3.846 -13.212 -4.968 851 HE3 TRP 113 3HE TRP 113 -3.013 -7.853 -5.768 852 HZ2 TRP 113 2HZ TRP 113 -5.657 -12.033 -6.831 853 HZ3 TRP 113 3HZ TRP 113 -4.913 -7.836 -7.381 854 HH2 TRP 113 HH TRP 113 -6.217 -9.830 -7.924 855 H SER 114 H SER 114 -3.845 -9.837 -1.667 856 HA SER 114 HA SER 114 -2.994 -12.056 -0.034 857 HB2 SER 114 1HB SER 114 -4.728 -10.319 0.704 858 HB3 SER 114 2HB SER 114 -5.823 -11.013 -0.475 859 HG SER 114 HG SER 114 -6.058 -11.889 1.726 860 H GLY 115 H GLY 115 -3.232 -14.203 -0.637 861 HA2 GLY 115 1HA GLY 115 -5.009 -14.825 -2.893 862 HA3 GLY 115 2HA GLY 115 -3.310 -15.237 -3.015 863 HA PRO 116 HA PRO 116 -5.056 -18.834 -1.026 864 HB2 PRO 116 1HB PRO 116 -3.458 -20.677 -2.257 865 HB3 PRO 116 2HB PRO 116 -5.010 -20.174 -2.898 866 HG2 PRO 116 1HG PRO 116 -2.298 -19.441 -3.819 867 HG3 PRO 116 2HG PRO 116 -3.822 -19.306 -4.674 868 HD2 PRO 116 1HD PRO 116 -2.357 -17.176 -3.431 869 HD3 PRO 116 2HD PRO 116 -3.935 -17.063 -4.184 870 H SER 117 H SER 117 -4.431 -18.214 1.044 871 HA SER 117 HA SER 117 -2.014 -19.588 1.784 872 HB2 SER 117 1HB SER 117 -1.035 -17.680 2.943 873 HB3 SER 117 2HB SER 117 -1.288 -17.253 1.263 874 HG SER 117 HG SER 117 -2.032 -15.751 3.167 875 H SER 118 H SER 118 -2.332 -20.644 3.732 876 HA SER 118 HA SER 118 -3.775 -19.544 5.825 877 HB2 SER 118 1HB SER 118 -5.646 -20.161 4.113 878 HB3 SER 118 2HB SER 118 -5.300 -21.828 4.527 879 HG SER 118 HG SER 118 -6.959 -20.282 5.813 880 H GLY 119 H GLY 119 -2.967 -20.553 7.643 881 HA2 GLY 119 1HA GLY 119 -1.279 -22.857 7.311 882 HA3 GLY 119 2HA GLY 119 -1.598 -21.961 8.782 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -18.134 -3.680 -37.341 2 HA2 GLY 1 1HA GLY 1 -18.644 -3.627 -34.686 3 HA3 GLY 1 2HA GLY 1 -18.600 -5.345 -35.029 4 H SER 2 H SER 2 -16.642 -6.079 -34.282 5 HA SER 2 HA SER 2 -14.329 -4.429 -34.861 6 HB2 SER 2 1HB SER 2 -13.168 -5.945 -33.218 7 HB3 SER 2 2HB SER 2 -14.519 -5.065 -32.533 8 HG SER 2 HG SER 2 -15.369 -6.943 -31.994 9 H SER 3 H SER 3 -15.319 -7.937 -34.881 10 HA SER 3 HA SER 3 -14.759 -9.605 -36.150 11 HB2 SER 3 1HB SER 3 -15.281 -7.472 -37.928 12 HB3 SER 3 2HB SER 3 -13.813 -8.205 -38.544 13 HG SER 3 HG SER 3 -16.415 -9.365 -38.214 14 H GLY 4 H GLY 4 -12.932 -10.498 -35.166 15 HA2 GLY 4 1HA GLY 4 -10.486 -10.477 -36.490 16 HA3 GLY 4 2HA GLY 4 -10.375 -9.287 -35.208 17 H SER 5 H SER 5 -9.751 -10.001 -33.213 18 HA SER 5 HA SER 5 -10.492 -12.704 -32.491 19 HB2 SER 5 1HB SER 5 -7.753 -11.755 -33.055 20 HB3 SER 5 2HB SER 5 -7.901 -12.476 -31.465 21 HG SER 5 HG SER 5 -9.155 -14.239 -32.799 22 H SER 6 H SER 6 -11.652 -12.403 -30.624 23 HA SER 6 HA SER 6 -12.195 -11.759 -28.623 24 HB2 SER 6 1HB SER 6 -9.403 -11.930 -28.488 25 HB3 SER 6 2HB SER 6 -9.734 -10.346 -27.816 26 HG SER 6 HG SER 6 -11.235 -11.348 -26.319 27 H GLY 7 H GLY 7 -13.298 -9.958 -27.758 28 HA2 GLY 7 1HA GLY 7 -12.451 -7.277 -28.186 29 HA3 GLY 7 2HA GLY 7 -13.694 -7.726 -29.337 30 H MET 8 H MET 8 -13.010 -8.231 -25.794 31 HA MET 8 HA MET 8 -15.231 -6.785 -24.991 32 HB2 MET 8 1HB MET 8 -15.757 -9.537 -25.824 33 HB3 MET 8 2HB MET 8 -16.043 -9.404 -24.100 34 HG2 MET 8 1HG MET 8 -17.271 -7.099 -24.995 35 HG3 MET 8 2HG MET 8 -17.531 -8.157 -26.368 36 HE1 MET 8 1HE MET 8 -19.232 -9.265 -26.696 37 HE2 MET 8 2HE MET 8 -19.102 -10.821 -25.841 38 HE3 MET 8 3HE MET 8 -20.528 -9.786 -25.592 39 H SER 9 H SER 9 -15.684 -7.143 -22.554 40 HA SER 9 HA SER 9 -13.340 -8.332 -21.303 41 HB2 SER 9 1HB SER 9 -13.341 -6.417 -19.665 42 HB3 SER 9 2HB SER 9 -12.910 -5.949 -21.298 43 HG SER 9 HG SER 9 -15.664 -5.804 -20.796 44 H GLN 10 H GLN 10 -13.720 -9.018 -19.029 45 HA GLN 10 HA GLN 10 -16.561 -9.512 -18.612 46 HB2 GLN 10 1HB GLN 10 -14.859 -11.457 -18.925 47 HB3 GLN 10 2HB GLN 10 -14.290 -11.059 -17.316 48 HG2 GLN 10 1HG GLN 10 -15.935 -12.457 -16.579 49 HG3 GLN 10 2HG GLN 10 -17.026 -11.126 -16.908 50 HE21 GLN 10 1HE2 GLN 10 -16.492 -14.310 -17.405 51 HE22 GLN 10 2HE2 GLN 10 -17.397 -14.592 -18.856 52 H LEU 11 H LEU 11 -13.788 -7.793 -17.478 53 HA LEU 11 HA LEU 11 -13.296 -6.715 -15.600 54 HB2 LEU 11 1HB LEU 11 -16.255 -6.269 -15.890 55 HB3 LEU 11 2HB LEU 11 -15.347 -5.521 -14.591 56 HG LEU 11 HG LEU 11 -13.950 -5.036 -17.046 57 HD11 LEU 11 1HD1 LEU 11 -15.905 -3.520 -17.962 58 HD12 LEU 11 2HD1 LEU 11 -15.743 -5.222 -18.456 59 HD13 LEU 11 3HD1 LEU 11 -16.925 -4.767 -17.204 60 HD21 LEU 11 1HD2 LEU 11 -14.443 -3.734 -14.696 61 HD22 LEU 11 2HD2 LEU 11 -13.707 -3.000 -16.141 62 HD23 LEU 11 3HD2 LEU 11 -15.451 -2.811 -15.837 63 H GLY 12 H GLY 12 -12.428 -8.277 -14.237 64 HA2 GLY 12 1HA GLY 12 -14.274 -9.232 -12.148 65 HA3 GLY 12 2HA GLY 12 -13.221 -10.363 -12.974 66 H SER 13 H SER 13 -13.432 -9.035 -10.098 67 HA SER 13 HA SER 13 -10.603 -8.330 -9.988 68 HB2 SER 13 1HB SER 13 -12.906 -7.410 -8.212 69 HB3 SER 13 2HB SER 13 -11.221 -7.064 -7.880 70 HG SER 13 HG SER 13 -12.906 -6.055 -9.956 71 H ARG 14 H ARG 14 -9.296 -9.603 -8.684 72 HA ARG 14 HA ARG 14 -10.709 -11.413 -6.896 73 HB2 ARG 14 1HB ARG 14 -8.569 -11.961 -8.950 74 HB3 ARG 14 2HB ARG 14 -8.500 -12.883 -7.461 75 HG2 ARG 14 1HG ARG 14 -10.545 -13.964 -7.860 76 HG3 ARG 14 2HG ARG 14 -11.168 -12.660 -8.851 77 HD2 ARG 14 1HD ARG 14 -10.636 -14.018 -10.617 78 HD3 ARG 14 2HD ARG 14 -8.997 -13.452 -10.363 79 HE ARG 14 HE ARG 14 -10.059 -16.103 -9.685 80 HH11 ARG 14 2HH2 ARG 14 -7.500 -13.766 -9.072 81 HH12 ARG 14 1HH2 ARG 14 -6.379 -14.953 -8.495 82 HH21 ARG 14 2HH1 ARG 14 -8.580 -17.670 -8.924 83 HH22 ARG 14 1HH1 ARG 14 -6.997 -17.189 -8.410 84 H GLY 15 H GLY 15 -9.310 -12.199 -5.031 85 HA2 GLY 15 1HA GLY 15 -8.063 -11.687 -3.228 86 HA3 GLY 15 2HA GLY 15 -6.802 -11.310 -4.385 87 H ARG 16 H ARG 16 -6.344 -9.765 -2.421 88 HA ARG 16 HA ARG 16 -7.305 -7.214 -3.264 89 HB2 ARG 16 1HB ARG 16 -7.769 -6.647 -0.723 90 HB3 ARG 16 2HB ARG 16 -9.018 -7.440 -1.661 91 HG2 ARG 16 1HG ARG 16 -8.090 -9.680 -0.820 92 HG3 ARG 16 2HG ARG 16 -7.056 -8.769 0.262 93 HD2 ARG 16 1HD ARG 16 -8.761 -8.452 1.733 94 HD3 ARG 16 2HD ARG 16 -9.784 -7.773 0.484 95 HE ARG 16 HE ARG 16 -10.877 -9.829 0.316 96 HH11 ARG 16 2HH2 ARG 16 -7.733 -10.340 1.810 97 HH12 ARG 16 1HH2 ARG 16 -8.019 -12.016 2.139 98 HH21 ARG 16 2HH1 ARG 16 -11.256 -12.040 0.751 99 HH22 ARG 16 1HH1 ARG 16 -10.037 -12.990 1.533 100 H LEU 17 H LEU 17 -5.752 -5.577 -2.831 101 HA LEU 17 HA LEU 17 -3.201 -6.553 -1.947 102 HB2 LEU 17 1HB LEU 17 -4.090 -3.815 -2.868 103 HB3 LEU 17 2HB LEU 17 -2.433 -4.300 -2.567 104 HG LEU 17 HG LEU 17 -3.713 -6.125 -4.429 105 HD11 LEU 17 1HD1 LEU 17 -3.643 -3.212 -5.264 106 HD12 LEU 17 2HD1 LEU 17 -4.015 -4.606 -6.306 107 HD13 LEU 17 3HD1 LEU 17 -5.109 -4.177 -4.970 108 HD21 LEU 17 1HD2 LEU 17 -1.743 -5.346 -5.845 109 HD22 LEU 17 2HD2 LEU 17 -1.274 -4.346 -4.449 110 HD23 LEU 17 3HD2 LEU 17 -1.365 -6.117 -4.286 111 H TRP 18 H TRP 18 -1.919 -5.499 -0.235 112 HA TRP 18 HA TRP 18 -3.208 -3.801 1.633 113 HB2 TRP 18 1HB TRP 18 -3.223 -5.389 3.531 114 HB3 TRP 18 2HB TRP 18 -4.447 -5.703 2.316 115 HD1 TRP 18 HD TRP 18 -4.047 -7.952 0.752 116 HE1 TRP 18 1HE TRP 18 -2.748 -10.217 1.135 117 HE3 TRP 18 3HE TRP 18 -1.208 -6.277 4.623 118 HZ2 TRP 18 2HZ TRP 18 -0.725 -11.035 2.974 119 HZ3 TRP 18 3HZ TRP 18 0.405 -7.873 5.656 120 HH2 TRP 18 HH TRP 18 0.671 -10.179 4.892 121 H LEU 19 H LEU 19 -1.654 -3.161 3.325 122 HA LEU 19 HA LEU 19 1.065 -3.584 2.396 123 HB2 LEU 19 1HB LEU 19 0.012 -1.698 4.506 124 HB3 LEU 19 2HB LEU 19 1.619 -1.701 3.806 125 HG LEU 19 HG LEU 19 0.684 0.006 2.623 126 HD11 LEU 19 1HD1 LEU 19 0.165 -0.684 0.377 127 HD12 LEU 19 2HD1 LEU 19 1.417 -1.762 1.038 128 HD13 LEU 19 3HD1 LEU 19 -0.271 -2.318 0.931 129 HD21 LEU 19 1HD2 LEU 19 -1.991 -1.176 2.087 130 HD22 LEU 19 2HD2 LEU 19 -1.641 -0.682 3.761 131 HD23 LEU 19 3HD2 LEU 19 -1.519 0.504 2.440 132 H GLN 20 H GLN 20 2.678 -4.604 3.575 133 HA GLN 20 HA GLN 20 1.667 -6.063 5.876 134 HB2 GLN 20 1HB GLN 20 2.690 -7.244 3.812 135 HB3 GLN 20 2HB GLN 20 4.239 -6.630 4.355 136 HG2 GLN 20 1HG GLN 20 3.637 -7.696 6.667 137 HG3 GLN 20 2HG GLN 20 2.385 -8.561 5.798 138 HE21 GLN 20 1HE2 GLN 20 2.868 -10.274 4.571 139 HE22 GLN 20 2HE2 GLN 20 4.457 -10.917 4.317 140 H SER 21 H SER 21 2.027 -4.880 7.727 141 HA SER 21 HA SER 21 4.493 -3.393 7.896 142 HB2 SER 21 1HB SER 21 3.073 -3.096 10.315 143 HB3 SER 21 2HB SER 21 3.132 -1.957 8.984 144 HG SER 21 HG SER 21 0.961 -2.376 9.264 145 HA PRO 22 HA PRO 22 6.337 -6.354 10.501 146 HB2 PRO 22 1HB PRO 22 8.210 -4.841 11.793 147 HB3 PRO 22 2HB PRO 22 8.431 -5.458 10.168 148 HG2 PRO 22 1HG PRO 22 7.804 -2.702 11.035 149 HG3 PRO 22 2HG PRO 22 8.439 -3.251 9.497 150 HD2 PRO 22 1HD PRO 22 5.742 -2.448 10.052 151 HD3 PRO 22 2HD PRO 22 6.350 -3.106 8.547 152 H THR 23 H THR 23 6.979 -6.927 12.815 153 HA THR 23 HA THR 23 4.663 -6.503 14.372 154 HB THR 23 HB THR 23 6.187 -8.527 14.407 155 HG1 THR 23 1HG THR 23 4.955 -8.349 16.283 156 HG21 THR 23 1HG2 THR 23 8.378 -7.204 14.439 157 HG22 THR 23 2HG2 THR 23 7.977 -6.712 16.102 158 HG23 THR 23 3HG2 THR 23 8.247 -8.430 15.722 159 H GLY 24 H GLY 24 7.274 -4.434 13.687 160 HA2 GLY 24 1HA GLY 24 7.122 -3.095 16.294 161 HA3 GLY 24 2HA GLY 24 8.298 -2.813 15.026 162 H GLY 25 H GLY 25 4.841 -3.147 14.252 163 HA2 GLY 25 1HA GLY 25 4.377 -0.285 14.266 164 HA3 GLY 25 2HA GLY 25 4.530 -1.000 12.674 165 HA PRO 26 HA PRO 26 0.212 -1.578 13.921 166 HB2 PRO 26 1HB PRO 26 -0.953 -0.469 11.712 167 HB3 PRO 26 2HB PRO 26 -0.644 0.429 13.185 168 HG2 PRO 26 1HG PRO 26 0.806 0.536 10.611 169 HG3 PRO 26 2HG PRO 26 0.815 1.695 11.925 170 HD2 PRO 26 1HD PRO 26 2.869 -0.207 11.299 171 HD3 PRO 26 2HD PRO 26 2.825 0.871 12.680 172 HA PRO 27 HA PRO 27 -0.616 -5.038 11.602 173 HB2 PRO 27 1HB PRO 27 -3.336 -5.146 11.356 174 HB3 PRO 27 2HB PRO 27 -2.486 -5.621 12.813 175 HG2 PRO 27 1HG PRO 27 -4.050 -3.166 12.297 176 HG3 PRO 27 2HG PRO 27 -3.562 -3.855 13.833 177 HD2 PRO 27 1HD PRO 27 -2.386 -1.596 12.514 178 HD3 PRO 27 2HD PRO 27 -1.827 -2.356 13.991 179 HA PRO 28 HA PRO 28 -1.093 -4.428 7.426 180 HB2 PRO 28 1HB PRO 28 -2.242 -6.710 6.457 181 HB3 PRO 28 2HB PRO 28 -0.542 -6.592 6.865 182 HG2 PRO 28 1HG PRO 28 -2.716 -7.933 8.353 183 HG3 PRO 28 2HG PRO 28 -0.984 -8.154 8.503 184 HD2 PRO 28 1HD PRO 28 -2.687 -6.687 10.284 185 HD3 PRO 28 2HD PRO 28 -0.941 -6.812 10.369 186 H ILE 29 H ILE 29 -2.244 -2.879 6.481 187 HA ILE 29 HA ILE 29 -5.119 -3.043 6.929 188 HB ILE 29 HB ILE 29 -3.302 -0.832 5.976 189 HG12 ILE 29 1HG1 ILE 29 -4.819 -0.124 8.262 190 HG13 ILE 29 2HG1 ILE 29 -4.181 -1.726 8.572 191 HG21 ILE 29 1HG2 ILE 29 -5.321 -0.532 4.764 192 HG22 ILE 29 2HG2 ILE 29 -6.318 -0.914 6.189 193 HG23 ILE 29 3HG2 ILE 29 -5.374 0.595 6.141 194 HD11 ILE 29 1HD1 ILE 29 -2.499 0.622 7.580 195 HD12 ILE 29 2HD1 ILE 29 -2.617 0.110 9.281 196 HD13 ILE 29 3HD1 ILE 29 -1.897 -0.980 8.072 197 H PHE 30 H PHE 30 -6.631 -3.222 5.265 198 HA PHE 30 HA PHE 30 -5.455 -4.023 2.706 199 HB2 PHE 30 1HB PHE 30 -8.024 -4.580 4.273 200 HB3 PHE 30 2HB PHE 30 -7.981 -4.901 2.551 201 HD1 PHE 30 2HD PHE 30 -6.226 -5.727 5.724 202 HD2 PHE 30 1HD PHE 30 -7.138 -6.927 1.757 203 HE1 PHE 30 2HE PHE 30 -5.202 -7.975 6.169 204 HE2 PHE 30 1HE PHE 30 -6.114 -9.175 2.202 205 HZ PHE 30 HZ PHE 30 -5.158 -9.672 4.402 206 H LEU 31 H LEU 31 -5.596 -2.604 1.040 207 HA LEU 31 HA LEU 31 -7.160 -0.252 1.294 208 HB2 LEU 31 1HB LEU 31 -6.069 -1.066 -1.339 209 HB3 LEU 31 2HB LEU 31 -6.041 0.489 -0.532 210 HG LEU 31 HG LEU 31 -4.212 -1.873 -0.102 211 HD11 LEU 31 1HD1 LEU 31 -2.769 0.516 -0.306 212 HD12 LEU 31 2HD1 LEU 31 -2.950 -0.750 -1.543 213 HD13 LEU 31 3HD1 LEU 31 -4.059 0.642 -1.526 214 HD21 LEU 31 1HD2 LEU 31 -4.014 -1.380 2.053 215 HD22 LEU 31 2HD2 LEU 31 -3.347 0.200 1.578 216 HD23 LEU 31 3HD2 LEU 31 -5.090 0.028 1.889 217 HA PRO 32 HA PRO 32 -10.791 -1.457 -0.704 218 HB2 PRO 32 1HB PRO 32 -11.500 0.718 -2.199 219 HB3 PRO 32 2HB PRO 32 -11.753 0.621 -0.468 220 HG2 PRO 32 1HG PRO 32 -9.712 2.154 -1.960 221 HG3 PRO 32 2HG PRO 32 -10.252 2.365 -0.306 222 HD2 PRO 32 1HD PRO 32 -7.810 1.133 -1.169 223 HD3 PRO 32 2HD PRO 32 -8.405 1.242 0.476 224 H SER 33 H SER 33 -11.955 -2.159 -2.616 225 HA SER 33 HA SER 33 -9.964 -2.677 -4.668 226 HB2 SER 33 1HB SER 33 -11.472 -4.533 -5.364 227 HB3 SER 33 2HB SER 33 -10.972 -4.682 -3.691 228 HG SER 33 HG SER 33 -12.996 -4.195 -2.976 229 H ASP 34 H ASP 34 -13.210 -1.324 -4.006 230 HA ASP 34 HA ASP 34 -14.306 -1.106 -6.409 231 HB2 ASP 34 1HB ASP 34 -14.062 1.076 -4.286 232 HB3 ASP 34 2HB ASP 34 -15.182 1.166 -5.631 233 H GLY 35 H GLY 35 -11.442 0.610 -5.142 234 HA2 GLY 35 1HA GLY 35 -9.858 1.219 -6.956 235 HA3 GLY 35 2HA GLY 35 -11.194 2.070 -7.705 236 H GLN 36 H GLN 36 -11.801 2.405 -4.452 237 HA GLN 36 HA GLN 36 -11.308 5.078 -4.395 238 HB2 GLN 36 1HB GLN 36 -11.815 2.966 -2.326 239 HB3 GLN 36 2HB GLN 36 -11.241 4.516 -1.745 240 HG2 GLN 36 1HG GLN 36 -13.634 4.681 -1.753 241 HG3 GLN 36 2HG GLN 36 -13.096 5.615 -3.135 242 HE21 GLN 36 1HE2 GLN 36 -13.191 4.686 -5.238 243 HE22 GLN 36 2HE2 GLN 36 -14.350 3.460 -5.630 244 H ALA 37 H ALA 37 -9.803 6.205 -2.662 245 HA ALA 37 HA ALA 37 -7.146 4.961 -2.874 246 HB1 ALA 37 1HB ALA 37 -7.927 7.209 -4.186 247 HB2 ALA 37 2HB ALA 37 -7.378 7.923 -2.651 248 HB3 ALA 37 3HB ALA 37 -6.262 6.931 -3.620 249 H LEU 38 H LEU 38 -6.238 4.475 -0.941 250 HA LEU 38 HA LEU 38 -7.508 5.568 1.434 251 HB2 LEU 38 1HB LEU 38 -7.014 3.087 0.976 252 HB3 LEU 38 2HB LEU 38 -5.344 3.482 1.333 253 HG LEU 38 HG LEU 38 -5.941 4.196 3.584 254 HD11 LEU 38 1HD1 LEU 38 -8.747 3.811 2.591 255 HD12 LEU 38 2HD1 LEU 38 -8.374 3.590 4.317 256 HD13 LEU 38 3HD1 LEU 38 -8.040 5.150 3.527 257 HD21 LEU 38 1HD2 LEU 38 -6.515 1.481 2.575 258 HD22 LEU 38 2HD2 LEU 38 -5.417 2.028 3.865 259 HD23 LEU 38 3HD2 LEU 38 -7.157 1.846 4.194 260 H VAL 39 H VAL 39 -6.791 7.629 1.823 261 HA VAL 39 HA VAL 39 -4.120 8.402 1.269 262 HB VAL 39 HB VAL 39 -6.582 9.586 2.413 263 HG11 VAL 39 1HG1 VAL 39 -5.369 10.423 4.173 264 HG12 VAL 39 2HG1 VAL 39 -3.831 10.391 3.278 265 HG13 VAL 39 3HG1 VAL 39 -5.024 11.670 2.950 266 HG21 VAL 39 1HG2 VAL 39 -6.389 11.076 0.674 267 HG22 VAL 39 2HG2 VAL 39 -4.609 11.042 0.692 268 HG23 VAL 39 3HG2 VAL 39 -5.519 9.685 -0.017 269 H LEU 40 H LEU 40 -2.331 7.947 2.435 270 HA LEU 40 HA LEU 40 -2.746 7.099 5.207 271 HB2 LEU 40 1HB LEU 40 -0.602 6.541 3.170 272 HB3 LEU 40 2HB LEU 40 -0.352 6.242 4.878 273 HG LEU 40 HG LEU 40 -2.308 4.903 3.011 274 HD11 LEU 40 1HD1 LEU 40 -0.628 3.449 2.879 275 HD12 LEU 40 2HD1 LEU 40 0.254 4.225 4.217 276 HD13 LEU 40 3HD1 LEU 40 -0.998 3.007 4.563 277 HD21 LEU 40 1HD2 LEU 40 -2.416 5.103 6.003 278 HD22 LEU 40 2HD2 LEU 40 -3.732 5.164 4.807 279 HD23 LEU 40 3HD2 LEU 40 -2.947 3.612 5.189 280 H GLY 41 H GLY 41 -1.089 7.813 6.820 281 HA2 GLY 41 1HA GLY 41 0.794 9.726 6.571 282 HA3 GLY 41 2HA GLY 41 -0.686 10.664 6.560 283 H ARG 42 H ARG 42 -0.001 11.626 8.618 284 HA ARG 42 HA ARG 42 0.620 10.180 10.841 285 HB2 ARG 42 1HB ARG 42 -0.165 12.922 10.196 286 HB3 ARG 42 2HB ARG 42 -0.877 12.448 11.726 287 HG2 ARG 42 1HG ARG 42 1.408 11.666 12.495 288 HG3 ARG 42 2HG ARG 42 2.085 12.272 10.997 289 HD2 ARG 42 1HD ARG 42 0.552 13.986 13.013 290 HD3 ARG 42 2HD ARG 42 2.299 13.897 12.917 291 HE ARG 42 HE ARG 42 1.337 14.526 10.312 292 HH11 ARG 42 2HH2 ARG 42 1.488 15.987 13.510 293 HH12 ARG 42 1HH2 ARG 42 1.515 17.611 12.907 294 HH21 ARG 42 2HH1 ARG 42 1.373 16.668 9.516 295 HH22 ARG 42 1HH1 ARG 42 1.449 18.000 10.620 296 H GLY 43 H GLY 43 -0.590 9.216 12.539 297 HA2 GLY 43 1HA GLY 43 -2.930 9.362 13.552 298 HA3 GLY 43 2HA GLY 43 -3.460 8.867 11.957 299 HA PRO 44 HA PRO 44 -2.493 5.110 14.378 300 HB2 PRO 44 1HB PRO 44 -4.993 4.007 14.452 301 HB3 PRO 44 2HB PRO 44 -4.335 4.978 15.754 302 HG2 PRO 44 1HG PRO 44 -6.366 5.715 13.736 303 HG3 PRO 44 2HG PRO 44 -6.010 6.488 15.268 304 HD2 PRO 44 1HD PRO 44 -5.246 7.410 12.662 305 HD3 PRO 44 2HD PRO 44 -4.792 8.119 14.199 306 H LEU 45 H LEU 45 -3.343 5.992 11.370 307 HA LEU 45 HA LEU 45 -3.982 3.548 10.190 308 HB2 LEU 45 1HB LEU 45 -3.055 6.216 9.318 309 HB3 LEU 45 2HB LEU 45 -2.729 4.900 8.208 310 HG LEU 45 HG LEU 45 -4.872 6.184 7.834 311 HD11 LEU 45 1HD1 LEU 45 -5.659 4.408 6.728 312 HD12 LEU 45 2HD1 LEU 45 -4.252 3.544 7.395 313 HD13 LEU 45 3HD1 LEU 45 -5.830 3.438 8.211 314 HD21 LEU 45 1HD2 LEU 45 -6.208 6.546 9.570 315 HD22 LEU 45 2HD2 LEU 45 -6.622 4.815 9.540 316 HD23 LEU 45 3HD2 LEU 45 -5.302 5.397 10.584 317 H THR 46 H THR 46 -0.777 5.272 10.270 318 HA THR 46 HA THR 46 0.468 2.605 10.104 319 HB THR 46 HB THR 46 2.276 3.770 8.823 320 HG1 THR 46 1HG THR 46 1.591 5.860 10.000 321 HG21 THR 46 1HG2 THR 46 -0.544 3.662 7.910 322 HG22 THR 46 2HG2 THR 46 0.413 4.908 7.073 323 HG23 THR 46 3HG2 THR 46 0.940 3.208 7.038 324 H GLN 47 H GLN 47 -0.400 4.660 12.365 325 HA GLN 47 HA GLN 47 0.329 5.142 14.351 326 HB2 GLN 47 1HB GLN 47 2.498 3.129 13.650 327 HB3 GLN 47 2HB GLN 47 2.434 3.911 15.217 328 HG2 GLN 47 1HG GLN 47 -0.197 2.852 14.414 329 HG3 GLN 47 2HG GLN 47 1.026 1.597 14.446 330 HE21 GLN 47 1HE2 GLN 47 -1.190 1.812 16.183 331 HE22 GLN 47 2HE2 GLN 47 -0.622 2.021 17.806 332 H VAL 48 H VAL 48 1.324 6.525 11.782 333 HA VAL 48 HA VAL 48 3.914 7.520 12.490 334 HB VAL 48 HB VAL 48 1.883 8.100 10.348 335 HG11 VAL 48 1HG1 VAL 48 2.677 10.240 10.431 336 HG12 VAL 48 2HG1 VAL 48 4.214 9.762 11.192 337 HG13 VAL 48 3HG1 VAL 48 3.971 9.514 9.446 338 HG21 VAL 48 1HG2 VAL 48 3.294 6.967 8.916 339 HG22 VAL 48 2HG2 VAL 48 4.744 7.315 9.889 340 HG23 VAL 48 3HG2 VAL 48 3.579 6.083 10.434 341 H THR 49 H THR 49 4.351 9.139 13.894 342 HA THR 49 HA THR 49 2.205 11.084 14.405 343 HB THR 49 HB THR 49 2.172 9.536 16.283 344 HG1 THR 49 1HG THR 49 2.981 11.098 17.893 345 HG21 THR 49 1HG2 THR 49 4.116 8.301 16.543 346 HG22 THR 49 2HG2 THR 49 5.139 9.602 15.889 347 HG23 THR 49 3HG2 THR 49 4.594 9.664 17.583 348 H ASP 50 H ASP 50 4.526 11.131 12.550 349 HA ASP 50 HA ASP 50 6.227 13.030 13.918 350 HB2 ASP 50 1HB ASP 50 7.245 11.196 12.540 351 HB3 ASP 50 2HB ASP 50 6.415 11.809 11.123 352 H ARG 51 H ARG 51 5.828 15.231 13.623 353 HA ARG 51 HA ARG 51 3.704 16.172 12.250 354 HB2 ARG 51 1HB ARG 51 6.345 17.534 12.961 355 HB3 ARG 51 2HB ARG 51 4.977 18.423 12.321 356 HG2 ARG 51 1HG ARG 51 3.628 17.986 14.231 357 HG3 ARG 51 2HG ARG 51 4.600 16.614 14.727 358 HD2 ARG 51 1HD ARG 51 6.496 18.605 14.820 359 HD3 ARG 51 2HD ARG 51 5.058 19.533 15.196 360 HE ARG 51 HE ARG 51 4.776 17.345 16.839 361 HH11 ARG 51 2HH2 ARG 51 7.433 19.584 16.283 362 HH12 ARG 51 1HH2 ARG 51 8.067 19.430 17.888 363 HH21 ARG 51 2HH1 ARG 51 5.612 17.142 18.956 364 HH22 ARG 51 1HH1 ARG 51 7.025 18.032 19.418 365 H LYS 52 H LYS 52 6.945 15.340 11.077 366 HA LYS 52 HA LYS 52 6.985 16.847 8.739 367 HB2 LYS 52 1HB LYS 52 8.267 14.192 9.438 368 HB3 LYS 52 2HB LYS 52 8.622 15.092 7.978 369 HG2 LYS 52 1HG LYS 52 8.750 16.699 10.487 370 HG3 LYS 52 2HG LYS 52 9.945 15.422 10.378 371 HD2 LYS 52 1HD LYS 52 9.698 16.877 7.834 372 HD3 LYS 52 2HD LYS 52 10.081 17.963 9.155 373 HE2 LYS 52 1HE LYS 52 12.012 16.520 9.800 374 HE3 LYS 52 2HE LYS 52 11.617 15.399 8.512 375 HZ1 LYS 52 1HZ LYS 52 13.329 17.241 8.113 376 HZ2 LYS 52 2HZ LYS 52 12.259 16.893 6.929 377 HZ3 LYS 52 3HZ LYS 52 12.036 18.208 7.871 378 H CYS 53 H CYS 53 4.936 14.241 9.716 379 HA CYS 53 HA CYS 53 4.377 13.510 6.961 380 HB2 CYS 53 1HB CYS 53 4.311 12.108 9.446 381 HB3 CYS 53 2HB CYS 53 2.670 12.159 8.834 382 HG CYS 53 HG CYS 53 3.136 10.153 7.607 383 H SER 54 H SER 54 1.904 13.323 6.445 384 HA SER 54 HA SER 54 0.408 15.365 7.851 385 HB2 SER 54 1HB SER 54 1.634 15.966 5.454 386 HB3 SER 54 2HB SER 54 0.072 15.404 4.893 387 HG SER 54 HG SER 54 0.696 17.646 6.564 388 H ARG 55 H ARG 55 -1.832 14.910 7.961 389 HA ARG 55 HA ARG 55 -2.693 12.430 7.939 390 HB2 ARG 55 1HB ARG 55 -3.978 15.078 7.669 391 HB3 ARG 55 2HB ARG 55 -4.961 13.802 6.981 392 HG2 ARG 55 1HG ARG 55 -4.268 12.558 9.287 393 HG3 ARG 55 2HG ARG 55 -4.106 14.214 9.836 394 HD2 ARG 55 1HD ARG 55 -6.604 13.191 8.409 395 HD3 ARG 55 2HD ARG 55 -6.427 13.150 10.152 396 HE ARG 55 HE ARG 55 -6.814 15.546 8.481 397 HH11 ARG 55 2HH2 ARG 55 -5.862 14.300 11.631 398 HH12 ARG 55 1HH2 ARG 55 -6.159 15.795 12.454 399 HH21 ARG 55 2HH1 ARG 55 -7.205 17.518 9.566 400 HH22 ARG 55 1HH1 ARG 55 -6.928 17.638 11.271 401 H ASN 56 H ASN 56 -2.330 14.540 5.079 402 HA ASN 56 HA ASN 56 -3.167 12.268 3.452 403 HB2 ASN 56 1HB ASN 56 -3.483 14.333 1.713 404 HB3 ASN 56 2HB ASN 56 -4.775 13.805 2.774 405 HD21 ASN 56 1HD2 ASN 56 -5.815 15.560 3.363 406 HD22 ASN 56 2HD2 ASN 56 -5.131 16.990 4.062 407 H GLN 57 H GLN 57 -0.612 12.056 4.102 408 HA GLN 57 HA GLN 57 1.148 13.777 2.770 409 HB2 GLN 57 1HB GLN 57 2.024 12.595 4.635 410 HB3 GLN 57 2HB GLN 57 1.409 11.054 4.073 411 HG2 GLN 57 1HG GLN 57 3.865 11.219 3.731 412 HG3 GLN 57 2HG GLN 57 3.024 11.040 2.204 413 HE21 GLN 57 1HE2 GLN 57 5.109 11.908 1.444 414 HE22 GLN 57 2HE2 GLN 57 5.308 13.623 1.311 415 H VAL 58 H VAL 58 -0.095 10.447 2.040 416 HA VAL 58 HA VAL 58 0.418 10.998 -0.777 417 HB VAL 58 HB VAL 58 1.281 8.600 -0.936 418 HG11 VAL 58 1HG1 VAL 58 2.587 11.084 -0.447 419 HG12 VAL 58 2HG1 VAL 58 3.496 9.818 0.413 420 HG13 VAL 58 3HG1 VAL 58 3.196 9.667 -1.335 421 HG21 VAL 58 1HG2 VAL 58 1.535 9.065 2.044 422 HG22 VAL 58 2HG2 VAL 58 0.786 7.692 1.193 423 HG23 VAL 58 3HG2 VAL 58 2.554 7.900 1.165 424 H GLU 59 H GLU 59 -0.768 9.385 -2.192 425 HA GLU 59 HA GLU 59 -3.116 8.424 -0.752 426 HB2 GLU 59 1HB GLU 59 -3.896 10.285 -2.010 427 HB3 GLU 59 2HB GLU 59 -2.897 9.892 -3.395 428 HG2 GLU 59 1HG GLU 59 -4.269 7.966 -3.954 429 HG3 GLU 59 2HG GLU 59 -5.130 8.053 -2.430 430 H LEU 60 H LEU 60 -3.249 6.226 -0.799 431 HA LEU 60 HA LEU 60 -1.857 4.854 -2.973 432 HB2 LEU 60 1HB LEU 60 -2.633 4.117 -0.172 433 HB3 LEU 60 2HB LEU 60 -2.344 2.863 -1.362 434 HG LEU 60 HG LEU 60 -0.118 4.493 -1.638 435 HD11 LEU 60 1HD1 LEU 60 0.465 4.284 1.037 436 HD12 LEU 60 2HD1 LEU 60 0.007 5.779 0.186 437 HD13 LEU 60 3HD1 LEU 60 -1.227 4.836 1.056 438 HD21 LEU 60 1HD2 LEU 60 0.108 2.256 0.293 439 HD22 LEU 60 2HD2 LEU 60 -0.612 1.867 -1.288 440 HD23 LEU 60 3HD2 LEU 60 1.013 2.589 -1.204 441 H ILE 61 H ILE 61 -2.909 3.399 -4.347 442 HA ILE 61 HA ILE 61 -5.795 3.140 -3.952 443 HB ILE 61 HB ILE 61 -4.396 4.158 -6.419 444 HG12 ILE 61 1HG1 ILE 61 -6.695 5.285 -4.793 445 HG13 ILE 61 2HG1 ILE 61 -5.027 5.808 -4.674 446 HG21 ILE 61 1HG2 ILE 61 -7.105 4.055 -7.002 447 HG22 ILE 61 2HG2 ILE 61 -5.836 2.986 -7.648 448 HG23 ILE 61 3HG2 ILE 61 -6.777 2.489 -6.221 449 HD11 ILE 61 1HD1 ILE 61 -5.255 6.098 -7.321 450 HD12 ILE 61 2HD1 ILE 61 -6.988 6.203 -6.928 451 HD13 ILE 61 3HD1 ILE 61 -5.840 7.360 -6.210 452 H ALA 62 H ALA 62 -6.301 1.024 -3.899 453 HA ALA 62 HA ALA 62 -4.369 -0.909 -4.716 454 HB1 ALA 62 1HB ALA 62 -6.828 -2.183 -4.231 455 HB2 ALA 62 2HB ALA 62 -5.501 -1.945 -3.068 456 HB3 ALA 62 3HB ALA 62 -6.830 -0.764 -3.157 457 H ASP 63 H ASP 63 -4.032 -1.515 -6.790 458 HA ASP 63 HA ASP 63 -6.355 -1.383 -8.547 459 HB2 ASP 63 1HB ASP 63 -3.464 -0.689 -8.899 460 HB3 ASP 63 2HB ASP 63 -4.211 -1.502 -10.259 461 HA PRO 64 HA PRO 64 -5.178 -5.747 -8.279 462 HB2 PRO 64 1HB PRO 64 -7.708 -6.779 -8.313 463 HB3 PRO 64 2HB PRO 64 -6.853 -6.387 -6.835 464 HG2 PRO 64 1HG PRO 64 -9.060 -4.920 -8.144 465 HG3 PRO 64 2HG PRO 64 -8.489 -4.797 -6.492 466 HD2 PRO 64 1HD PRO 64 -7.981 -2.949 -8.626 467 HD3 PRO 64 2HD PRO 64 -7.315 -2.888 -7.006 468 H GLU 65 H GLU 65 -6.337 -3.774 -10.590 469 HA GLU 65 HA GLU 65 -7.103 -5.723 -12.470 470 HB2 GLU 65 1HB GLU 65 -6.775 -3.737 -14.096 471 HB3 GLU 65 2HB GLU 65 -7.981 -3.556 -12.838 472 HG2 GLU 65 1HG GLU 65 -6.621 -2.095 -11.555 473 HG3 GLU 65 2HG GLU 65 -5.139 -2.643 -12.313 474 H SER 66 H SER 66 -4.044 -4.111 -11.564 475 HA SER 66 HA SER 66 -2.709 -5.971 -13.350 476 HB2 SER 66 1HB SER 66 -2.352 -2.969 -13.216 477 HB3 SER 66 2HB SER 66 -0.986 -3.979 -13.648 478 HG SER 66 HG SER 66 -3.057 -4.874 -15.111 479 H ARG 67 H ARG 67 -3.317 -5.881 -10.405 480 HA ARG 67 HA ARG 67 -2.358 -6.018 -8.457 481 HB2 ARG 67 1HB ARG 67 0.021 -7.162 -10.001 482 HB3 ARG 67 2HB ARG 67 -0.407 -7.521 -8.340 483 HG2 ARG 67 1HG ARG 67 -2.193 -8.137 -10.741 484 HG3 ARG 67 2HG ARG 67 -1.124 -9.303 -9.987 485 HD2 ARG 67 1HD ARG 67 -2.344 -8.891 -7.783 486 HD3 ARG 67 2HD ARG 67 -3.481 -7.884 -8.657 487 HE ARG 67 HE ARG 67 -4.453 -9.809 -9.591 488 HH11 ARG 67 2HH2 ARG 67 -1.357 -10.639 -8.138 489 HH12 ARG 67 1HH2 ARG 67 -1.588 -12.347 -8.314 490 HH21 ARG 67 2HH1 ARG 67 -4.758 -12.062 -9.822 491 HH22 ARG 67 1HH1 ARG 67 -3.536 -13.161 -9.278 492 H THR 68 H THR 68 -2.078 -3.414 -9.338 493 HA THR 68 HA THR 68 0.615 -2.729 -8.374 494 HB THR 68 HB THR 68 0.334 -0.755 -10.092 495 HG1 THR 68 1HG THR 68 -1.383 -2.882 -11.156 496 HG21 THR 68 1HG2 THR 68 0.543 -2.959 -11.933 497 HG22 THR 68 2HG2 THR 68 1.867 -1.973 -11.267 498 HG23 THR 68 3HG2 THR 68 1.348 -3.452 -10.424 499 H VAL 69 H VAL 69 0.582 -0.171 -7.922 500 HA VAL 69 HA VAL 69 -1.963 0.599 -6.769 501 HB VAL 69 HB VAL 69 0.548 0.255 -5.117 502 HG11 VAL 69 1HG1 VAL 69 -0.704 1.097 -3.244 503 HG12 VAL 69 2HG1 VAL 69 -0.821 2.283 -4.565 504 HG13 VAL 69 3HG1 VAL 69 -2.191 1.202 -4.217 505 HG21 VAL 69 1HG2 VAL 69 -1.084 -1.273 -3.795 506 HG22 VAL 69 2HG2 VAL 69 -2.025 -1.305 -5.306 507 HG23 VAL 69 3HG2 VAL 69 -0.345 -1.895 -5.290 508 H ALA 70 H ALA 70 -2.283 2.758 -7.064 509 HA ALA 70 HA ALA 70 -0.074 4.247 -8.204 510 HB1 ALA 70 1HB ALA 70 -2.421 5.835 -7.949 511 HB2 ALA 70 2HB ALA 70 -1.774 5.069 -9.420 512 HB3 ALA 70 3HB ALA 70 -2.954 4.200 -8.410 513 H VAL 71 H VAL 71 0.922 6.031 -7.254 514 HA VAL 71 HA VAL 71 0.051 6.616 -4.509 515 HB VAL 71 HB VAL 71 2.835 6.297 -5.637 516 HG11 VAL 71 1HG1 VAL 71 2.656 8.310 -4.166 517 HG12 VAL 71 2HG1 VAL 71 2.086 7.250 -2.854 518 HG13 VAL 71 3HG1 VAL 71 3.724 7.041 -3.519 519 HG21 VAL 71 1HG2 VAL 71 2.216 4.171 -5.018 520 HG22 VAL 71 2HG2 VAL 71 2.864 4.769 -3.471 521 HG23 VAL 71 3HG2 VAL 71 1.106 4.741 -3.749 522 H LYS 72 H LYS 72 -0.196 8.770 -3.993 523 HA LYS 72 HA LYS 72 0.872 10.724 -5.871 524 HB2 LYS 72 1HB LYS 72 -1.350 10.272 -6.732 525 HB3 LYS 72 2HB LYS 72 -2.060 10.479 -5.144 526 HG2 LYS 72 1HG LYS 72 -2.055 12.756 -5.311 527 HG3 LYS 72 2HG LYS 72 -0.409 12.796 -5.912 528 HD2 LYS 72 1HD LYS 72 -1.303 13.374 -7.924 529 HD3 LYS 72 2HD LYS 72 -1.790 11.697 -8.070 530 HE2 LYS 72 1HE LYS 72 -3.999 12.195 -7.772 531 HE3 LYS 72 2HE LYS 72 -3.670 13.234 -6.400 532 HZ1 LYS 72 1HZ LYS 72 -3.722 15.010 -7.695 533 HZ2 LYS 72 2HZ LYS 72 -2.785 14.349 -8.858 534 HZ3 LYS 72 3HZ LYS 72 -4.393 14.067 -8.848 535 H GLN 73 H GLN 73 1.905 12.297 -4.765 536 HA GLN 73 HA GLN 73 1.597 12.312 -1.925 537 HB2 GLN 73 1HB GLN 73 3.845 12.511 -2.711 538 HB3 GLN 73 2HB GLN 73 3.424 13.747 -3.879 539 HG2 GLN 73 1HG GLN 73 3.030 15.391 -2.128 540 HG3 GLN 73 2HG GLN 73 3.122 14.170 -0.874 541 HE21 GLN 73 1HE2 GLN 73 4.662 16.638 -1.342 542 HE22 GLN 73 2HE2 GLN 73 6.335 16.191 -1.367 543 H LEU 74 H LEU 74 -0.131 13.377 -1.048 544 HA LEU 74 HA LEU 74 -1.023 15.816 -2.393 545 HB2 LEU 74 1HB LEU 74 -2.551 14.591 -0.159 546 HB3 LEU 74 2HB LEU 74 -3.117 15.421 -1.594 547 HG LEU 74 HG LEU 74 -1.786 12.797 -2.032 548 HD11 LEU 74 1HD1 LEU 74 -3.075 11.562 -0.720 549 HD12 LEU 74 2HD1 LEU 74 -3.821 13.036 -0.058 550 HD13 LEU 74 3HD1 LEU 74 -4.531 12.242 -1.484 551 HD21 LEU 74 1HD2 LEU 74 -2.677 14.118 -3.893 552 HD22 LEU 74 2HD2 LEU 74 -3.525 12.562 -3.727 553 HD23 LEU 74 3HD2 LEU 74 -4.299 14.062 -3.162 554 H GLY 75 H GLY 75 1.161 14.891 -0.068 555 HA2 GLY 75 1HA GLY 75 0.502 16.991 1.855 556 HA3 GLY 75 2HA GLY 75 1.754 15.773 1.991 557 H VAL 76 H VAL 76 3.475 17.212 2.436 558 HA VAL 76 HA VAL 76 4.164 18.970 0.182 559 HB VAL 76 HB VAL 76 3.683 20.490 1.819 560 HG11 VAL 76 1HG1 VAL 76 3.980 20.203 4.205 561 HG12 VAL 76 2HG1 VAL 76 3.135 18.781 3.548 562 HG13 VAL 76 3HG1 VAL 76 4.866 18.680 3.951 563 HG21 VAL 76 1HG2 VAL 76 6.520 19.875 2.672 564 HG22 VAL 76 2HG2 VAL 76 6.129 20.567 1.079 565 HG23 VAL 76 3HG2 VAL 76 5.709 21.456 2.564 566 H ASN 77 H ASN 77 5.458 17.087 3.005 567 HA ASN 77 HA ASN 77 8.068 17.108 2.205 568 HB2 ASN 77 1HB ASN 77 6.782 14.663 3.493 569 HB3 ASN 77 2HB ASN 77 8.387 15.307 3.774 570 HD21 ASN 77 1HD2 ASN 77 8.721 16.692 5.369 571 HD22 ASN 77 2HD2 ASN 77 7.507 17.446 6.347 572 HA PRO 78 HA PRO 78 7.916 14.373 -1.235 573 HB2 PRO 78 1HB PRO 78 10.591 13.955 -1.607 574 HB3 PRO 78 2HB PRO 78 9.749 15.370 -2.207 575 HG2 PRO 78 1HG PRO 78 11.574 15.142 0.107 576 HG3 PRO 78 2HG PRO 78 11.070 16.581 -0.755 577 HD2 PRO 78 1HD PRO 78 10.120 15.691 1.801 578 HD3 PRO 78 2HD PRO 78 9.534 17.066 0.886 579 H SER 79 H SER 79 7.353 12.301 -1.488 580 HA SER 79 HA SER 79 8.409 10.580 0.597 581 HB2 SER 79 1HB SER 79 5.936 10.505 -1.148 582 HB3 SER 79 2HB SER 79 6.510 9.031 -0.395 583 HG SER 79 HG SER 79 5.859 9.717 1.543 584 H THR 80 H THR 80 8.960 8.272 -0.059 585 HA THR 80 HA THR 80 10.089 8.248 -2.782 586 HB THR 80 HB THR 80 11.127 7.005 -0.180 587 HG1 THR 80 1HG THR 80 11.862 9.204 -1.978 588 HG21 THR 80 1HG2 THR 80 11.867 5.635 -2.083 589 HG22 THR 80 2HG2 THR 80 12.246 7.095 -3.029 590 HG23 THR 80 3HG2 THR 80 13.219 6.685 -1.596 591 H VAL 81 H VAL 81 9.115 6.896 -4.141 592 HA VAL 81 HA VAL 81 7.591 4.699 -2.960 593 HB VAL 81 HB VAL 81 7.506 6.174 -5.582 594 HG11 VAL 81 1HG1 VAL 81 5.472 4.438 -5.883 595 HG12 VAL 81 2HG1 VAL 81 7.105 4.142 -6.526 596 HG13 VAL 81 3HG1 VAL 81 6.606 3.399 -4.988 597 HG21 VAL 81 1HG2 VAL 81 5.406 5.618 -3.459 598 HG22 VAL 81 2HG2 VAL 81 6.285 7.149 -3.689 599 HG23 VAL 81 3HG2 VAL 81 5.166 6.567 -4.945 600 H GLY 82 H GLY 82 9.295 3.238 -2.487 601 HA2 GLY 82 1HA GLY 82 10.339 1.299 -3.158 602 HA3 GLY 82 2HA GLY 82 10.270 1.814 -4.832 603 H VAL 83 H VAL 83 11.958 3.057 -5.744 604 HA VAL 83 HA VAL 83 14.150 3.717 -3.911 605 HB VAL 83 HB VAL 83 14.549 1.557 -5.063 606 HG11 VAL 83 1HG1 VAL 83 15.263 2.514 -7.659 607 HG12 VAL 83 2HG1 VAL 83 14.054 1.284 -7.219 608 HG13 VAL 83 3HG1 VAL 83 13.580 2.996 -7.334 609 HG21 VAL 83 1HG2 VAL 83 16.739 2.652 -6.313 610 HG22 VAL 83 2HG2 VAL 83 16.279 3.937 -5.170 611 HG23 VAL 83 3HG2 VAL 83 16.618 2.294 -4.574 612 H GLN 84 H GLN 84 11.801 5.118 -5.414 613 HA GLN 84 HA GLN 84 13.539 7.083 -6.688 614 HB2 GLN 84 1HB GLN 84 12.329 6.037 -8.483 615 HB3 GLN 84 2HB GLN 84 10.823 6.056 -7.587 616 HG2 GLN 84 1HG GLN 84 10.499 8.374 -7.901 617 HG3 GLN 84 2HG GLN 84 12.205 8.686 -8.155 618 HE21 GLN 84 1HE2 GLN 84 10.661 9.833 -9.893 619 HE22 GLN 84 2HE2 GLN 84 10.636 9.050 -11.437 620 H GLU 85 H GLU 85 13.101 9.282 -6.220 621 HA GLU 85 HA GLU 85 11.446 9.614 -3.892 622 HB2 GLU 85 1HB GLU 85 13.611 10.638 -3.745 623 HB3 GLU 85 2HB GLU 85 13.460 11.381 -5.325 624 HG2 GLU 85 1HG GLU 85 11.487 12.729 -4.406 625 HG3 GLU 85 2HG GLU 85 11.869 12.093 -2.819 626 H LEU 86 H LEU 86 9.623 11.011 -3.757 627 HA LEU 86 HA LEU 86 8.520 11.708 -6.381 628 HB2 LEU 86 1HB LEU 86 7.294 10.934 -3.753 629 HB3 LEU 86 2HB LEU 86 6.370 11.839 -4.936 630 HG LEU 86 HG LEU 86 7.458 9.039 -5.131 631 HD11 LEU 86 1HD1 LEU 86 4.761 10.345 -5.195 632 HD12 LEU 86 2HD1 LEU 86 5.009 8.795 -6.035 633 HD13 LEU 86 3HD1 LEU 86 5.322 8.920 -4.287 634 HD21 LEU 86 1HD2 LEU 86 8.181 9.834 -7.204 635 HD22 LEU 86 2HD2 LEU 86 6.585 9.124 -7.548 636 HD23 LEU 86 3HD2 LEU 86 6.762 10.890 -7.405 637 H LYS 87 H LYS 87 6.641 13.604 -5.697 638 HA LYS 87 HA LYS 87 8.046 15.650 -4.184 639 HB2 LYS 87 1HB LYS 87 7.855 15.595 -7.111 640 HB3 LYS 87 2HB LYS 87 7.207 17.065 -6.413 641 HG2 LYS 87 1HG LYS 87 9.271 17.593 -5.309 642 HG3 LYS 87 2HG LYS 87 9.894 15.967 -5.506 643 HD2 LYS 87 1HD LYS 87 11.036 17.033 -7.231 644 HD3 LYS 87 2HD LYS 87 9.617 16.494 -8.107 645 HE2 LYS 87 1HE LYS 87 9.195 18.653 -8.660 646 HE3 LYS 87 2HE LYS 87 8.863 18.984 -6.972 647 HZ1 LYS 87 1HZ LYS 87 11.046 19.804 -8.494 648 HZ2 LYS 87 2HZ LYS 87 10.671 20.210 -6.957 649 HZ3 LYS 87 3HZ LYS 87 11.601 18.900 -7.252 650 HA PRO 88 HA PRO 88 4.019 16.823 -3.153 651 HB2 PRO 88 1HB PRO 88 4.060 19.554 -3.044 652 HB3 PRO 88 2HB PRO 88 4.717 18.534 -1.779 653 HG2 PRO 88 1HG PRO 88 6.156 20.102 -3.831 654 HG3 PRO 88 2HG PRO 88 6.767 19.436 -2.329 655 HD2 PRO 88 1HD PRO 88 7.190 18.392 -4.967 656 HD3 PRO 88 2HD PRO 88 7.702 17.664 -3.458 657 H GLY 89 H GLY 89 2.668 15.988 -4.698 658 HA2 GLY 89 1HA GLY 89 0.788 16.855 -5.956 659 HA3 GLY 89 2HA GLY 89 1.872 18.010 -6.706 660 H LEU 90 H LEU 90 3.651 15.174 -6.293 661 HA LEU 90 HA LEU 90 3.330 14.538 -9.097 662 HB2 LEU 90 1HB LEU 90 5.505 14.774 -7.553 663 HB3 LEU 90 2HB LEU 90 5.211 13.060 -7.336 664 HG LEU 90 HG LEU 90 5.518 12.589 -9.631 665 HD11 LEU 90 1HD1 LEU 90 4.422 14.054 -10.966 666 HD12 LEU 90 2HD1 LEU 90 4.905 15.472 -10.005 667 HD13 LEU 90 3HD1 LEU 90 6.057 14.735 -11.144 668 HD21 LEU 90 1HD2 LEU 90 7.663 14.498 -9.786 669 HD22 LEU 90 2HD2 LEU 90 7.513 13.890 -8.120 670 HD23 LEU 90 3HD2 LEU 90 7.723 12.748 -9.469 671 H SER 91 H SER 91 3.723 11.898 -9.375 672 HA SER 91 HA SER 91 2.111 10.446 -7.537 673 HB2 SER 91 1HB SER 91 0.926 9.983 -10.153 674 HB3 SER 91 2HB SER 91 0.139 10.396 -8.643 675 HG SER 91 HG SER 91 0.527 11.972 -10.808 676 H GLY 92 H GLY 92 2.756 8.286 -7.555 677 HA2 GLY 92 1HA GLY 92 4.324 7.391 -9.898 678 HA3 GLY 92 2HA GLY 92 4.874 7.142 -8.253 679 H SER 93 H SER 93 4.830 4.799 -9.074 680 HA SER 93 HA SER 93 2.212 3.731 -8.414 681 HB2 SER 93 1HB SER 93 3.463 3.610 -11.003 682 HB3 SER 93 2HB SER 93 3.476 1.990 -10.335 683 HG SER 93 HG SER 93 1.506 2.562 -11.559 684 H LEU 94 H LEU 94 2.284 1.705 -7.276 685 HA LEU 94 HA LEU 94 5.003 0.904 -6.499 686 HB2 LEU 94 1HB LEU 94 2.782 1.783 -4.923 687 HB3 LEU 94 2HB LEU 94 3.104 0.102 -4.549 688 HG LEU 94 HG LEU 94 5.634 1.308 -4.568 689 HD11 LEU 94 1HD1 LEU 94 3.822 3.043 -2.891 690 HD12 LEU 94 2HD1 LEU 94 5.543 3.271 -3.286 691 HD13 LEU 94 3HD1 LEU 94 4.304 3.490 -4.545 692 HD21 LEU 94 1HD2 LEU 94 4.860 -0.500 -3.097 693 HD22 LEU 94 2HD2 LEU 94 5.621 0.824 -2.182 694 HD23 LEU 94 3HD2 LEU 94 3.848 0.661 -2.205 695 H SER 95 H SER 95 5.547 -1.247 -6.678 696 HA SER 95 HA SER 95 3.466 -2.890 -7.870 697 HB2 SER 95 1HB SER 95 6.481 -3.345 -7.870 698 HB3 SER 95 2HB SER 95 5.296 -4.246 -8.794 699 HG SER 95 HG SER 95 6.573 -1.971 -9.498 700 H LEU 96 H LEU 96 3.545 -5.294 -7.268 701 HA LEU 96 HA LEU 96 3.259 -5.605 -4.540 702 HB2 LEU 96 1HB LEU 96 3.190 -7.252 -6.933 703 HB3 LEU 96 2HB LEU 96 3.838 -8.131 -5.563 704 HG LEU 96 HG LEU 96 1.168 -6.698 -5.632 705 HD11 LEU 96 1HD1 LEU 96 0.486 -8.500 -6.755 706 HD12 LEU 96 2HD1 LEU 96 1.997 -9.384 -6.431 707 HD13 LEU 96 3HD1 LEU 96 0.689 -9.386 -5.224 708 HD21 LEU 96 1HD2 LEU 96 2.752 -7.873 -3.437 709 HD22 LEU 96 2HD2 LEU 96 1.463 -6.645 -3.405 710 HD23 LEU 96 3HD2 LEU 96 1.045 -8.373 -3.497 711 H GLY 97 H GLY 97 4.816 -5.238 -3.046 712 HA2 GLY 97 1HA GLY 97 6.675 -6.338 -1.958 713 HA3 GLY 97 2HA GLY 97 7.442 -6.513 -3.523 714 H ASP 98 H ASP 98 6.625 -3.806 -4.498 715 HA ASP 98 HA ASP 98 8.852 -2.423 -3.824 716 HB2 ASP 98 1HB ASP 98 6.123 -1.609 -4.852 717 HB3 ASP 98 2HB ASP 98 7.290 -0.357 -4.476 718 H VAL 99 H VAL 99 9.222 -0.569 -2.368 719 HA VAL 99 HA VAL 99 7.485 -0.664 -0.024 720 HB VAL 99 HB VAL 99 10.237 0.528 -0.418 721 HG11 VAL 99 1HG1 VAL 99 9.107 1.636 1.396 722 HG12 VAL 99 2HG1 VAL 99 8.555 0.084 2.069 723 HG13 VAL 99 3HG1 VAL 99 10.286 0.497 2.089 724 HG21 VAL 99 1HG2 VAL 99 9.367 -2.139 0.738 725 HG22 VAL 99 2HG2 VAL 99 10.381 -1.858 -0.697 726 HG23 VAL 99 3HG2 VAL 99 10.997 -1.449 0.922 727 H LEU 100 H LEU 100 7.104 1.498 1.108 728 HA LEU 100 HA LEU 100 7.030 3.735 -0.747 729 HB2 LEU 100 1HB LEU 100 4.935 2.767 -1.222 730 HB3 LEU 100 2HB LEU 100 4.609 2.424 0.465 731 HG LEU 100 HG LEU 100 4.398 4.845 0.920 732 HD11 LEU 100 1HD1 LEU 100 4.162 5.641 -1.893 733 HD12 LEU 100 2HD1 LEU 100 4.930 6.471 -0.519 734 HD13 LEU 100 3HD1 LEU 100 5.817 5.206 -1.403 735 HD21 LEU 100 1HD2 LEU 100 2.213 5.002 0.208 736 HD22 LEU 100 2HD2 LEU 100 2.558 4.271 -1.378 737 HD23 LEU 100 3HD2 LEU 100 2.504 3.250 0.079 738 H TYR 101 H TYR 101 8.716 4.566 0.618 739 HA TYR 101 HA TYR 101 8.513 4.737 3.390 740 HB2 TYR 101 1HB TYR 101 9.799 6.521 1.229 741 HB3 TYR 101 2HB TYR 101 10.213 6.628 2.929 742 HD1 TYR 101 1HD TYR 101 11.303 4.628 4.058 743 HD2 TYR 101 2HD TYR 101 10.806 4.892 -0.183 744 HE1 TYR 101 1HE TYR 101 13.077 2.836 3.732 745 HE2 TYR 101 2HE TYR 101 12.582 3.100 -0.495 746 HH TYR 101 HH TYR 101 14.003 1.793 0.460 747 H LEU 102 H LEU 102 6.627 5.527 4.299 748 HA LEU 102 HA LEU 102 4.912 7.353 3.392 749 HB2 LEU 102 1HB LEU 102 5.543 6.171 5.867 750 HB3 LEU 102 2HB LEU 102 5.414 7.891 6.179 751 HG LEU 102 HG LEU 102 3.214 6.993 4.513 752 HD11 LEU 102 1HD1 LEU 102 2.157 5.736 6.562 753 HD12 LEU 102 2HD1 LEU 102 3.174 4.869 5.386 754 HD13 LEU 102 3HD1 LEU 102 3.856 5.374 6.951 755 HD21 LEU 102 1HD2 LEU 102 3.318 8.193 7.295 756 HD22 LEU 102 2HD2 LEU 102 3.248 9.093 5.760 757 HD23 LEU 102 3HD2 LEU 102 1.878 8.072 6.256 758 H VAL 103 H VAL 103 7.838 8.207 5.377 759 HA VAL 103 HA VAL 103 8.311 10.500 3.758 760 HB VAL 103 HB VAL 103 6.403 11.267 5.129 761 HG11 VAL 103 1HG1 VAL 103 6.688 9.987 7.145 762 HG12 VAL 103 2HG1 VAL 103 8.285 10.713 7.444 763 HG13 VAL 103 3HG1 VAL 103 6.817 11.712 7.564 764 HG21 VAL 103 1HG2 VAL 103 8.353 12.740 4.324 765 HG22 VAL 103 2HG2 VAL 103 7.297 13.390 5.601 766 HG23 VAL 103 3HG2 VAL 103 8.894 12.726 6.020 767 H ASN 104 H ASN 104 10.179 11.847 4.885 768 HA ASN 104 HA ASN 104 12.319 11.698 5.329 769 HB2 ASN 104 1HB ASN 104 11.661 10.086 7.814 770 HB3 ASN 104 2HB ASN 104 12.769 11.434 7.650 771 HD21 ASN 104 1HD2 ASN 104 11.484 13.426 6.574 772 HD22 ASN 104 2HD2 ASN 104 10.085 13.917 7.468 773 H GLY 105 H GLY 105 11.674 9.634 3.548 774 HA2 GLY 105 1HA GLY 105 12.110 7.498 2.904 775 HA3 GLY 105 2HA GLY 105 13.710 7.915 3.485 776 H LEU 106 H LEU 106 10.884 7.701 5.662 777 HA LEU 106 HA LEU 106 11.992 5.187 6.702 778 HB2 LEU 106 1HB LEU 106 11.250 7.715 8.115 779 HB3 LEU 106 2HB LEU 106 11.010 6.183 8.931 780 HG LEU 106 HG LEU 106 13.603 7.394 7.967 781 HD11 LEU 106 1HD1 LEU 106 12.350 6.812 10.620 782 HD12 LEU 106 2HD1 LEU 106 14.122 6.742 10.467 783 HD13 LEU 106 3HD1 LEU 106 13.253 8.243 10.065 784 HD21 LEU 106 1HD2 LEU 106 14.523 5.173 9.072 785 HD22 LEU 106 2HD2 LEU 106 12.954 4.532 8.528 786 HD23 LEU 106 3HD2 LEU 106 14.080 5.247 7.349 787 H TYR 107 H TYR 107 10.036 4.556 8.550 788 HA TYR 107 HA TYR 107 8.146 3.354 8.521 789 HB2 TYR 107 1HB TYR 107 6.911 5.818 7.204 790 HB3 TYR 107 2HB TYR 107 6.267 4.883 8.538 791 HD1 TYR 107 2HD TYR 107 8.162 4.843 10.616 792 HD2 TYR 107 1HD TYR 107 7.460 7.984 7.797 793 HE1 TYR 107 2HE TYR 107 9.113 6.537 12.256 794 HE2 TYR 107 1HE TYR 107 8.414 9.667 9.447 795 HH TYR 107 HH TYR 107 10.306 9.061 11.746 796 HA PRO 108 HA PRO 108 8.080 2.629 3.997 797 HB2 PRO 108 1HB PRO 108 9.467 0.276 3.903 798 HB3 PRO 108 2HB PRO 108 10.204 1.836 3.597 799 HG2 PRO 108 1HG PRO 108 10.424 0.120 5.994 800 HG3 PRO 108 2HG PRO 108 11.458 1.443 5.492 801 HD2 PRO 108 1HD PRO 108 9.465 1.510 7.553 802 HD3 PRO 108 2HD PRO 108 10.418 2.861 6.972 803 H LEU 109 H LEU 109 6.480 1.563 2.916 804 HA LEU 109 HA LEU 109 5.168 -0.467 4.588 805 HB2 LEU 109 1HB LEU 109 4.035 1.742 2.896 806 HB3 LEU 109 2HB LEU 109 3.099 0.301 3.241 807 HG LEU 109 HG LEU 109 2.468 1.999 4.798 808 HD11 LEU 109 1HD1 LEU 109 2.519 0.770 6.727 809 HD12 LEU 109 2HD1 LEU 109 3.011 -0.473 5.552 810 HD13 LEU 109 3HD1 LEU 109 4.238 0.344 6.549 811 HD21 LEU 109 1HD2 LEU 109 5.341 2.228 5.720 812 HD22 LEU 109 2HD2 LEU 109 4.585 3.334 4.548 813 HD23 LEU 109 3HD2 LEU 109 3.946 3.222 6.206 814 H THR 110 H THR 110 5.416 -2.469 3.770 815 HA THR 110 HA THR 110 6.181 -2.766 0.997 816 HB THR 110 HB THR 110 5.748 -4.764 3.281 817 HG1 THR 110 1HG THR 110 7.980 -3.304 2.062 818 HG21 THR 110 1HG2 THR 110 5.846 -6.154 1.369 819 HG22 THR 110 2HG2 THR 110 6.827 -4.985 0.454 820 HG23 THR 110 3HG2 THR 110 7.574 -5.955 1.746 821 H LEU 111 H LEU 111 4.929 -3.327 -0.687 822 HA LEU 111 HA LEU 111 2.097 -3.581 -0.139 823 HB2 LEU 111 1HB LEU 111 2.602 -2.049 -1.831 824 HB3 LEU 111 2HB LEU 111 3.768 -3.114 -2.590 825 HG LEU 111 HG LEU 111 1.955 -4.597 -3.341 826 HD11 LEU 111 1HD1 LEU 111 -0.221 -4.426 -2.758 827 HD12 LEU 111 2HD1 LEU 111 0.461 -3.624 -1.323 828 HD13 LEU 111 3HD1 LEU 111 -0.178 -2.649 -2.668 829 HD21 LEU 111 1HD2 LEU 111 1.359 -1.742 -4.145 830 HD22 LEU 111 2HD2 LEU 111 2.780 -2.654 -4.708 831 HD23 LEU 111 3HD2 LEU 111 1.141 -3.224 -5.106 832 H ARG 112 H ARG 112 0.944 -5.457 -0.210 833 HA ARG 112 HA ARG 112 2.326 -7.740 -1.357 834 HB2 ARG 112 1HB ARG 112 0.936 -7.540 1.348 835 HB3 ARG 112 2HB ARG 112 1.146 -9.090 0.558 836 HG2 ARG 112 1HG ARG 112 3.466 -7.177 1.074 837 HG3 ARG 112 2HG ARG 112 2.987 -8.412 2.220 838 HD2 ARG 112 1HD ARG 112 3.601 -10.191 0.767 839 HD3 ARG 112 2HD ARG 112 3.518 -9.185 -0.665 840 HE ARG 112 HE ARG 112 5.531 -8.166 1.134 841 HH11 ARG 112 2HH2 ARG 112 4.931 -10.780 -1.143 842 HH12 ARG 112 1HH2 ARG 112 6.607 -11.013 -1.515 843 HH21 ARG 112 2HH1 ARG 112 7.742 -8.472 0.645 844 HH22 ARG 112 1HH1 ARG 112 8.217 -9.691 -0.491 845 H TRP 113 H TRP 113 0.489 -9.707 -1.306 846 HA TRP 113 HA TRP 113 -2.059 -8.530 -2.144 847 HB2 TRP 113 1HB TRP 113 -0.981 -8.812 -4.211 848 HB3 TRP 113 2HB TRP 113 -0.284 -10.353 -3.749 849 HD1 TRP 113 HD TRP 113 -2.204 -12.446 -3.485 850 HE1 TRP 113 1HE TRP 113 -4.361 -12.999 -4.901 851 HE3 TRP 113 3HE TRP 113 -2.728 -7.797 -5.476 852 HZ2 TRP 113 2HZ TRP 113 -6.007 -11.465 -6.655 853 HZ3 TRP 113 3HZ TRP 113 -4.637 -7.408 -7.031 854 HH2 TRP 113 HH TRP 113 -6.245 -9.150 -7.629 855 H SER 114 H SER 114 -3.865 -9.899 -1.690 856 HA SER 114 HA SER 114 -3.237 -11.900 0.275 857 HB2 SER 114 1HB SER 114 -5.039 -10.160 0.616 858 HB3 SER 114 2HB SER 114 -5.954 -10.898 -0.684 859 HG SER 114 HG SER 114 -6.435 -12.637 0.558 860 H GLY 115 H GLY 115 -3.582 -14.130 0.019 861 HA2 GLY 115 1HA GLY 115 -4.481 -14.975 -2.671 862 HA3 GLY 115 2HA GLY 115 -3.234 -15.777 -1.737 863 HA PRO 116 HA PRO 116 -6.854 -18.119 -0.632 864 HB2 PRO 116 1HB PRO 116 -5.580 -20.513 -0.290 865 HB3 PRO 116 2HB PRO 116 -6.251 -19.995 -1.823 866 HG2 PRO 116 1HG PRO 116 -3.421 -20.087 -0.976 867 HG3 PRO 116 2HG PRO 116 -4.078 -19.988 -2.597 868 HD2 PRO 116 1HD PRO 116 -2.913 -17.848 -1.084 869 HD3 PRO 116 2HD PRO 116 -3.675 -17.725 -2.658 870 H SER 117 H SER 117 -6.795 -16.568 1.205 871 HA SER 117 HA SER 117 -6.426 -18.179 3.532 872 HB2 SER 117 1HB SER 117 -4.180 -16.913 2.921 873 HB3 SER 117 2HB SER 117 -5.005 -15.508 3.566 874 HG SER 117 HG SER 117 -3.997 -17.777 4.898 875 H SER 118 H SER 118 -8.569 -17.912 4.162 876 HA SER 118 HA SER 118 -9.325 -15.178 4.759 877 HB2 SER 118 1HB SER 118 -10.929 -17.167 3.115 878 HB3 SER 118 2HB SER 118 -11.713 -15.851 3.967 879 HG SER 118 HG SER 118 -9.514 -14.960 2.521 880 H GLY 119 H GLY 119 -10.413 -18.652 4.917 881 HA2 GLY 119 1HA GLY 119 -10.773 -18.319 7.820 882 HA3 GLY 119 2HA GLY 119 -12.099 -18.919 6.844 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -17.684 -32.826 -29.187 2 HA2 GLY 1 1HA GLY 1 -15.442 -33.351 -28.452 3 HA3 GLY 1 2HA GLY 1 -14.983 -33.583 -30.128 4 H SER 2 H SER 2 -14.881 -31.419 -27.556 5 HA SER 2 HA SER 2 -14.421 -29.309 -27.329 6 HB2 SER 2 1HB SER 2 -13.331 -29.613 -30.161 7 HB3 SER 2 2HB SER 2 -13.029 -28.216 -29.147 8 HG SER 2 HG SER 2 -12.263 -29.988 -27.523 9 H SER 3 H SER 3 -16.715 -28.725 -27.217 10 HA SER 3 HA SER 3 -17.370 -26.807 -29.202 11 HB2 SER 3 1HB SER 3 -18.527 -29.492 -29.351 12 HB3 SER 3 2HB SER 3 -19.779 -28.290 -29.109 13 HG SER 3 HG SER 3 -18.400 -27.119 -30.930 14 H GLY 4 H GLY 4 -18.002 -25.119 -27.912 15 HA2 GLY 4 1HA GLY 4 -18.504 -25.090 -25.278 16 HA3 GLY 4 2HA GLY 4 -19.259 -23.982 -26.407 17 H SER 5 H SER 5 -20.044 -25.805 -23.864 18 HA SER 5 HA SER 5 -22.736 -26.062 -24.745 19 HB2 SER 5 1HB SER 5 -21.969 -28.213 -25.549 20 HB3 SER 5 2HB SER 5 -21.089 -28.530 -24.068 21 HG SER 5 HG SER 5 -22.989 -28.902 -22.954 22 H SER 6 H SER 6 -20.397 -27.267 -22.222 23 HA SER 6 HA SER 6 -22.325 -26.772 -20.186 24 HB2 SER 6 1HB SER 6 -19.517 -27.869 -20.301 25 HB3 SER 6 2HB SER 6 -20.132 -27.324 -18.754 26 HG SER 6 HG SER 6 -21.501 -28.995 -18.653 27 H GLY 7 H GLY 7 -22.003 -25.255 -18.373 28 HA2 GLY 7 1HA GLY 7 -21.356 -22.675 -19.122 29 HA3 GLY 7 2HA GLY 7 -21.474 -23.263 -17.476 30 H MET 8 H MET 8 -19.577 -23.904 -16.312 31 HA MET 8 HA MET 8 -17.480 -23.839 -15.745 32 HB2 MET 8 1HB MET 8 -17.449 -24.726 -18.563 33 HB3 MET 8 2HB MET 8 -15.961 -23.897 -18.151 34 HG2 MET 8 1HG MET 8 -16.103 -25.449 -15.957 35 HG3 MET 8 2HG MET 8 -17.093 -26.450 -17.000 36 HE1 MET 8 1HE MET 8 -14.257 -28.399 -16.802 37 HE2 MET 8 2HE MET 8 -13.175 -27.086 -16.279 38 HE3 MET 8 3HE MET 8 -14.811 -27.219 -15.590 39 H SER 9 H SER 9 -16.708 -21.950 -14.913 40 HA SER 9 HA SER 9 -16.586 -19.681 -16.704 41 HB2 SER 9 1HB SER 9 -16.516 -19.982 -13.681 42 HB3 SER 9 2HB SER 9 -16.087 -18.467 -14.451 43 HG SER 9 HG SER 9 -18.322 -18.969 -15.636 44 H GLN 10 H GLN 10 -14.607 -18.122 -16.198 45 HA GLN 10 HA GLN 10 -12.282 -19.767 -16.543 46 HB2 GLN 10 1HB GLN 10 -11.177 -17.508 -16.996 47 HB3 GLN 10 2HB GLN 10 -12.466 -17.957 -18.095 48 HG2 GLN 10 1HG GLN 10 -13.919 -16.333 -17.293 49 HG3 GLN 10 2HG GLN 10 -13.297 -16.424 -15.657 50 HE21 GLN 10 1HE2 GLN 10 -13.470 -14.062 -15.914 51 HE22 GLN 10 2HE2 GLN 10 -12.118 -13.183 -16.547 52 H LEU 11 H LEU 11 -13.071 -20.270 -14.020 53 HA LEU 11 HA LEU 11 -12.490 -18.590 -11.981 54 HB2 LEU 11 1HB LEU 11 -12.364 -21.537 -12.366 55 HB3 LEU 11 2HB LEU 11 -11.628 -20.881 -10.918 56 HG LEU 11 HG LEU 11 -14.094 -19.618 -10.971 57 HD11 LEU 11 1HD1 LEU 11 -14.425 -22.462 -11.959 58 HD12 LEU 11 2HD1 LEU 11 -15.729 -21.475 -11.255 59 HD13 LEU 11 3HD1 LEU 11 -14.944 -20.964 -12.769 60 HD21 LEU 11 1HD2 LEU 11 -12.698 -21.624 -9.392 61 HD22 LEU 11 2HD2 LEU 11 -13.753 -20.286 -8.877 62 HD23 LEU 11 3HD2 LEU 11 -14.464 -21.847 -9.353 63 H GLY 12 H GLY 12 -10.710 -17.663 -11.052 64 HA2 GLY 12 1HA GLY 12 -8.099 -18.405 -12.232 65 HA3 GLY 12 2HA GLY 12 -8.561 -16.773 -11.789 66 H SER 13 H SER 13 -8.744 -16.171 -9.527 67 HA SER 13 HA SER 13 -8.392 -17.988 -7.473 68 HB2 SER 13 1HB SER 13 -6.032 -17.263 -6.783 69 HB3 SER 13 2HB SER 13 -6.134 -18.373 -8.136 70 HG SER 13 HG SER 13 -5.844 -16.594 -9.595 71 H ARG 14 H ARG 14 -7.660 -14.682 -8.727 72 HA ARG 14 HA ARG 14 -7.971 -12.700 -7.918 73 HB2 ARG 14 1HB ARG 14 -10.300 -14.189 -6.659 74 HB3 ARG 14 2HB ARG 14 -10.065 -12.491 -6.293 75 HG2 ARG 14 1HG ARG 14 -10.873 -11.850 -8.319 76 HG3 ARG 14 2HG ARG 14 -9.801 -12.946 -9.169 77 HD2 ARG 14 1HD ARG 14 -11.489 -14.428 -9.531 78 HD3 ARG 14 2HD ARG 14 -11.884 -14.480 -7.825 79 HE ARG 14 HE ARG 14 -12.858 -12.008 -8.847 80 HH11 ARG 14 2HH2 ARG 14 -13.479 -15.453 -9.199 81 HH12 ARG 14 1HH2 ARG 14 -15.150 -15.241 -9.604 82 HH21 ARG 14 2HH1 ARG 14 -15.062 -11.726 -9.380 83 HH22 ARG 14 1HH1 ARG 14 -16.056 -13.106 -9.707 84 H GLY 15 H GLY 15 -8.205 -11.310 -5.733 85 HA2 GLY 15 1HA GLY 15 -7.473 -12.554 -3.287 86 HA3 GLY 15 2HA GLY 15 -6.058 -11.900 -4.088 87 H ARG 16 H ARG 16 -5.799 -10.304 -2.389 88 HA ARG 16 HA ARG 16 -7.421 -8.002 -2.920 89 HB2 ARG 16 1HB ARG 16 -8.112 -9.593 -0.741 90 HB3 ARG 16 2HB ARG 16 -7.036 -8.426 0.002 91 HG2 ARG 16 1HG ARG 16 -8.538 -6.717 -0.225 92 HG3 ARG 16 2HG ARG 16 -8.932 -7.159 -1.874 93 HD2 ARG 16 1HD ARG 16 -10.923 -7.934 -1.096 94 HD3 ARG 16 2HD ARG 16 -10.042 -9.252 -0.348 95 HE ARG 16 HE ARG 16 -10.242 -8.195 1.749 96 HH11 ARG 16 2HH2 ARG 16 -11.197 -5.977 -0.811 97 HH12 ARG 16 1HH2 ARG 16 -11.852 -4.800 0.279 98 HH21 ARG 16 2HH1 ARG 16 -11.106 -6.643 3.186 99 HH22 ARG 16 1HH1 ARG 16 -11.800 -5.182 2.567 100 H LEU 17 H LEU 17 -6.277 -6.030 -2.483 101 HA LEU 17 HA LEU 17 -3.443 -6.406 -2.120 102 HB2 LEU 17 1HB LEU 17 -5.224 -4.125 -2.914 103 HB3 LEU 17 2HB LEU 17 -3.558 -3.834 -2.455 104 HG LEU 17 HG LEU 17 -4.231 -5.858 -4.584 105 HD11 LEU 17 1HD1 LEU 17 -3.782 -3.975 -6.236 106 HD12 LEU 17 2HD1 LEU 17 -5.365 -3.973 -5.423 107 HD13 LEU 17 3HD1 LEU 17 -4.087 -2.857 -4.885 108 HD21 LEU 17 1HD2 LEU 17 -1.978 -5.330 -5.384 109 HD22 LEU 17 2HD2 LEU 17 -1.783 -4.145 -4.070 110 HD23 LEU 17 3HD2 LEU 17 -1.959 -5.875 -3.689 111 H TRP 18 H TRP 18 -2.168 -5.408 -0.462 112 HA TRP 18 HA TRP 18 -3.402 -3.991 1.660 113 HB2 TRP 18 1HB TRP 18 -3.000 -5.679 3.426 114 HB3 TRP 18 2HB TRP 18 -4.324 -6.063 2.344 115 HD1 TRP 18 HD TRP 18 -3.954 -8.208 0.683 116 HE1 TRP 18 1HE TRP 18 -2.346 -10.300 0.706 117 HE3 TRP 18 3HE TRP 18 -0.670 -6.306 4.067 118 HZ2 TRP 18 2HZ TRP 18 0.064 -10.911 2.107 119 HZ3 TRP 18 3HZ TRP 18 1.283 -7.715 4.708 120 HH2 TRP 18 HH TRP 18 1.677 -9.944 3.787 121 H LEU 19 H LEU 19 -1.688 -3.541 3.394 122 HA LEU 19 HA LEU 19 0.954 -3.642 2.119 123 HB2 LEU 19 1HB LEU 19 0.026 -1.670 4.199 124 HB3 LEU 19 2HB LEU 19 1.475 -1.602 3.216 125 HG LEU 19 HG LEU 19 -1.234 -1.550 1.908 126 HD11 LEU 19 1HD1 LEU 19 -1.073 0.967 1.987 127 HD12 LEU 19 2HD1 LEU 19 -1.488 0.169 3.523 128 HD13 LEU 19 3HD1 LEU 19 0.165 0.770 3.251 129 HD21 LEU 19 1HD2 LEU 19 0.210 0.024 0.382 130 HD22 LEU 19 2HD2 LEU 19 1.572 -0.815 1.161 131 HD23 LEU 19 3HD2 LEU 19 0.352 -1.746 0.259 132 H GLN 20 H GLN 20 2.681 -4.527 3.217 133 HA GLN 20 HA GLN 20 1.938 -5.865 5.677 134 HB2 GLN 20 1HB GLN 20 2.937 -7.135 3.705 135 HB3 GLN 20 2HB GLN 20 4.437 -6.271 3.980 136 HG2 GLN 20 1HG GLN 20 4.835 -7.330 6.052 137 HG3 GLN 20 2HG GLN 20 3.141 -7.701 6.309 138 HE21 GLN 20 1HE2 GLN 20 5.034 -8.169 3.360 139 HE22 GLN 20 2HE2 GLN 20 4.939 -9.898 3.296 140 H SER 21 H SER 21 2.170 -4.334 7.322 141 HA SER 21 HA SER 21 4.260 -2.481 7.332 142 HB2 SER 21 1HB SER 21 3.426 -2.729 9.990 143 HB3 SER 21 2HB SER 21 2.767 -1.624 8.800 144 HG SER 21 HG SER 21 0.935 -2.705 8.935 145 HA PRO 22 HA PRO 22 7.422 -4.872 9.128 146 HB2 PRO 22 1HB PRO 22 9.014 -2.933 10.211 147 HB3 PRO 22 2HB PRO 22 9.034 -3.349 8.509 148 HG2 PRO 22 1HG PRO 22 7.844 -0.985 9.825 149 HG3 PRO 22 2HG PRO 22 8.248 -1.213 8.136 150 HD2 PRO 22 1HD PRO 22 5.631 -1.327 9.305 151 HD3 PRO 22 2HD PRO 22 6.050 -1.669 7.638 152 H THR 23 H THR 23 8.438 -5.705 11.066 153 HA THR 23 HA THR 23 6.694 -6.181 13.067 154 HB THR 23 HB THR 23 8.892 -7.295 12.773 155 HG1 THR 23 1HG THR 23 9.330 -7.258 15.094 156 HG21 THR 23 1HG2 THR 23 9.942 -4.575 13.691 157 HG22 THR 23 2HG2 THR 23 10.890 -6.071 13.867 158 HG23 THR 23 3HG2 THR 23 10.429 -5.495 12.247 159 H GLY 24 H GLY 24 6.630 -5.457 15.369 160 HA2 GLY 24 1HA GLY 24 6.068 -3.829 16.817 161 HA3 GLY 24 2HA GLY 24 7.562 -3.060 16.318 162 H GLY 25 H GLY 25 4.699 -3.715 14.226 163 HA2 GLY 25 1HA GLY 25 4.158 -0.813 14.157 164 HA3 GLY 25 2HA GLY 25 4.378 -1.729 12.679 165 HA PRO 26 HA PRO 26 -0.030 -1.977 13.803 166 HB2 PRO 26 1HB PRO 26 -1.075 -0.857 11.540 167 HB3 PRO 26 2HB PRO 26 -0.771 0.053 13.007 168 HG2 PRO 26 1HG PRO 26 0.761 0.047 10.478 169 HG3 PRO 26 2HG PRO 26 0.783 1.228 11.773 170 HD2 PRO 26 1HD PRO 26 2.766 -0.776 11.244 171 HD3 PRO 26 2HD PRO 26 2.729 0.329 12.604 172 HA PRO 27 HA PRO 27 -0.945 -5.438 11.518 173 HB2 PRO 27 1HB PRO 27 -3.657 -5.426 11.185 174 HB3 PRO 27 2HB PRO 27 -2.877 -5.912 12.677 175 HG2 PRO 27 1HG PRO 27 -4.308 -3.398 12.069 176 HG3 PRO 27 2HG PRO 27 -3.902 -4.080 13.631 177 HD2 PRO 27 1HD PRO 27 -2.581 -1.902 12.313 178 HD3 PRO 27 2HD PRO 27 -2.105 -2.659 13.820 179 HA PRO 28 HA PRO 28 -1.258 -4.883 7.319 180 HB2 PRO 28 1HB PRO 28 -2.477 -7.129 6.351 181 HB3 PRO 28 2HB PRO 28 -0.788 -7.079 6.813 182 HG2 PRO 28 1HG PRO 28 -3.067 -8.295 8.251 183 HG3 PRO 28 2HG PRO 28 -1.352 -8.590 8.461 184 HD2 PRO 28 1HD PRO 28 -3.043 -7.016 10.161 185 HD3 PRO 28 2HD PRO 28 -1.309 -7.217 10.305 186 H ILE 29 H ILE 29 -2.330 -3.165 6.569 187 HA ILE 29 HA ILE 29 -5.197 -3.199 6.877 188 HB ILE 29 HB ILE 29 -3.224 -1.172 5.835 189 HG12 ILE 29 1HG1 ILE 29 -4.781 -0.258 8.037 190 HG13 ILE 29 2HG1 ILE 29 -4.200 -1.860 8.445 191 HG21 ILE 29 1HG2 ILE 29 -6.136 -1.314 5.484 192 HG22 ILE 29 2HG2 ILE 29 -5.562 0.205 6.215 193 HG23 ILE 29 3HG2 ILE 29 -4.918 -0.326 4.643 194 HD11 ILE 29 1HD1 ILE 29 -2.581 0.596 7.703 195 HD12 ILE 29 2HD1 ILE 29 -2.441 -0.437 9.146 196 HD13 ILE 29 3HD1 ILE 29 -1.880 -1.034 7.566 197 H PHE 30 H PHE 30 -6.729 -3.207 5.177 198 HA PHE 30 HA PHE 30 -5.642 -4.344 2.708 199 HB2 PHE 30 1HB PHE 30 -8.343 -4.376 4.168 200 HB3 PHE 30 2HB PHE 30 -8.200 -4.959 2.522 201 HD1 PHE 30 1HD PHE 30 -6.574 -5.446 5.850 202 HD2 PHE 30 2HD PHE 30 -7.827 -7.212 2.201 203 HE1 PHE 30 1HE PHE 30 -5.891 -7.703 6.709 204 HE2 PHE 30 2HE PHE 30 -7.145 -9.470 3.059 205 HZ PHE 30 HZ PHE 30 -6.185 -9.688 5.303 206 H LEU 31 H LEU 31 -5.572 -3.052 0.937 207 HA LEU 31 HA LEU 31 -6.768 -0.485 0.993 208 HB2 LEU 31 1HB LEU 31 -5.665 -1.870 -1.438 209 HB3 LEU 31 2HB LEU 31 -5.741 -0.152 -1.096 210 HG LEU 31 HG LEU 31 -3.783 -2.201 -0.175 211 HD11 LEU 31 1HD1 LEU 31 -3.693 0.647 -1.161 212 HD12 LEU 31 2HD1 LEU 31 -2.282 -0.133 -0.406 213 HD13 LEU 31 3HD1 LEU 31 -2.992 -0.818 -1.888 214 HD21 LEU 31 1HD2 LEU 31 -3.123 -0.372 1.616 215 HD22 LEU 31 2HD2 LEU 31 -4.871 -0.037 1.576 216 HD23 LEU 31 3HD2 LEU 31 -4.286 -1.666 1.990 217 HA PRO 32 HA PRO 32 -10.602 -1.378 -0.773 218 HB2 PRO 32 1HB PRO 32 -11.222 0.977 -2.012 219 HB3 PRO 32 2HB PRO 32 -11.406 0.724 -0.288 220 HG2 PRO 32 1HG PRO 32 -9.330 2.263 -1.725 221 HG3 PRO 32 2HG PRO 32 -9.782 2.342 -0.033 222 HD2 PRO 32 1HD PRO 32 -7.471 1.047 -1.134 223 HD3 PRO 32 2HD PRO 32 -7.985 1.028 0.541 224 H SER 33 H SER 33 -11.201 -2.734 -2.333 225 HA SER 33 HA SER 33 -9.589 -2.704 -4.669 226 HB2 SER 33 1HB SER 33 -12.126 -4.329 -4.288 227 HB3 SER 33 2HB SER 33 -10.722 -4.731 -5.257 228 HG SER 33 HG SER 33 -10.111 -5.844 -3.531 229 H ASP 34 H ASP 34 -12.779 -1.517 -3.659 230 HA ASP 34 HA ASP 34 -14.152 -1.352 -5.935 231 HB2 ASP 34 1HB ASP 34 -13.802 0.625 -3.659 232 HB3 ASP 34 2HB ASP 34 -14.870 1.016 -4.993 233 H GLY 35 H GLY 35 -11.174 0.338 -5.042 234 HA2 GLY 35 1HA GLY 35 -9.835 1.109 -6.925 235 HA3 GLY 35 2HA GLY 35 -11.279 1.853 -7.582 236 H GLN 36 H GLN 36 -11.775 2.292 -4.367 237 HA GLN 36 HA GLN 36 -11.326 4.982 -4.423 238 HB2 GLN 36 1HB GLN 36 -11.921 2.940 -2.338 239 HB3 GLN 36 2HB GLN 36 -11.215 4.424 -1.729 240 HG2 GLN 36 1HG GLN 36 -12.971 5.749 -2.930 241 HG3 GLN 36 2HG GLN 36 -13.679 4.263 -3.531 242 HE21 GLN 36 1HE2 GLN 36 -14.537 2.732 -2.033 243 HE22 GLN 36 2HE2 GLN 36 -15.163 3.233 -0.498 244 H ALA 37 H ALA 37 -9.870 6.085 -2.531 245 HA ALA 37 HA ALA 37 -7.184 4.917 -2.792 246 HB1 ALA 37 1HB ALA 37 -6.308 6.952 -3.425 247 HB2 ALA 37 2HB ALA 37 -7.934 7.115 -4.130 248 HB3 ALA 37 3HB ALA 37 -7.559 7.882 -2.567 249 H LEU 38 H LEU 38 -6.198 4.502 -0.874 250 HA LEU 38 HA LEU 38 -7.521 5.520 1.515 251 HB2 LEU 38 1HB LEU 38 -6.891 3.037 0.958 252 HB3 LEU 38 2HB LEU 38 -5.299 3.515 1.512 253 HG LEU 38 HG LEU 38 -6.149 4.084 3.700 254 HD11 LEU 38 1HD1 LEU 38 -8.827 3.750 2.394 255 HD12 LEU 38 2HD1 LEU 38 -8.648 3.431 4.136 256 HD13 LEU 38 3HD1 LEU 38 -8.234 5.032 3.478 257 HD21 LEU 38 1HD2 LEU 38 -6.859 1.389 2.586 258 HD22 LEU 38 2HD2 LEU 38 -5.553 1.855 3.702 259 HD23 LEU 38 3HD2 LEU 38 -7.235 1.783 4.281 260 H VAL 39 H VAL 39 -6.830 7.539 2.053 261 HA VAL 39 HA VAL 39 -4.204 8.419 1.436 262 HB VAL 39 HB VAL 39 -6.646 9.468 2.749 263 HG11 VAL 39 1HG1 VAL 39 -5.424 10.316 4.475 264 HG12 VAL 39 2HG1 VAL 39 -3.892 10.253 3.571 265 HG13 VAL 39 3HG1 VAL 39 -5.051 11.569 3.267 266 HG21 VAL 39 1HG2 VAL 39 -5.227 9.826 0.318 267 HG22 VAL 39 2HG2 VAL 39 -6.725 10.628 0.847 268 HG23 VAL 39 3HG2 VAL 39 -5.146 11.371 1.199 269 H LEU 40 H LEU 40 -2.348 8.072 2.540 270 HA LEU 40 HA LEU 40 -2.624 6.972 5.240 271 HB2 LEU 40 1HB LEU 40 -0.558 6.706 3.079 272 HB3 LEU 40 2HB LEU 40 -0.143 6.387 4.751 273 HG LEU 40 HG LEU 40 -2.108 4.916 2.997 274 HD11 LEU 40 1HD1 LEU 40 -0.680 3.139 3.099 275 HD12 LEU 40 2HD1 LEU 40 0.493 4.471 3.239 276 HD13 LEU 40 3HD1 LEU 40 -0.038 3.596 4.695 277 HD21 LEU 40 1HD2 LEU 40 -2.018 5.060 5.986 278 HD22 LEU 40 2HD2 LEU 40 -3.412 4.949 4.885 279 HD23 LEU 40 3HD2 LEU 40 -2.409 3.512 5.199 280 H GLY 41 H GLY 41 -0.620 7.582 6.691 281 HA2 GLY 41 1HA GLY 41 0.998 9.624 6.655 282 HA3 GLY 41 2HA GLY 41 -0.511 10.515 6.675 283 H ARG 42 H ARG 42 0.129 11.394 8.786 284 HA ARG 42 HA ARG 42 0.745 9.816 10.938 285 HB2 ARG 42 1HB ARG 42 0.010 12.602 10.430 286 HB3 ARG 42 2HB ARG 42 -0.720 12.061 11.928 287 HG2 ARG 42 1HG ARG 42 1.549 11.199 12.665 288 HG3 ARG 42 2HG ARG 42 2.244 11.880 11.208 289 HD2 ARG 42 1HD ARG 42 0.727 13.494 13.316 290 HD3 ARG 42 2HD ARG 42 2.473 13.394 13.211 291 HE ARG 42 HE ARG 42 1.695 14.187 10.657 292 HH11 ARG 42 2HH2 ARG 42 1.185 15.436 13.906 293 HH12 ARG 42 1HH2 ARG 42 1.069 17.086 13.392 294 HH21 ARG 42 2HH1 ARG 42 1.542 16.364 9.977 295 HH22 ARG 42 1HH1 ARG 42 1.273 17.617 11.142 296 H GLY 43 H GLY 43 -0.501 8.804 12.586 297 HA2 GLY 43 1HA GLY 43 -2.867 8.957 13.560 298 HA3 GLY 43 2HA GLY 43 -3.360 8.499 11.942 299 HA PRO 44 HA PRO 44 -2.463 4.687 14.305 300 HB2 PRO 44 1HB PRO 44 -4.970 3.599 14.313 301 HB3 PRO 44 2HB PRO 44 -4.329 4.538 15.646 302 HG2 PRO 44 1HG PRO 44 -6.320 5.330 13.610 303 HG3 PRO 44 2HG PRO 44 -5.986 6.068 15.164 304 HD2 PRO 44 1HD PRO 44 -5.171 7.040 12.591 305 HD3 PRO 44 2HD PRO 44 -4.740 7.713 14.150 306 H LEU 45 H LEU 45 -3.235 5.639 11.303 307 HA LEU 45 HA LEU 45 -3.880 3.230 10.056 308 HB2 LEU 45 1HB LEU 45 -2.643 5.811 9.149 309 HB3 LEU 45 2HB LEU 45 -2.804 4.460 8.045 310 HG LEU 45 HG LEU 45 -5.324 4.497 8.828 311 HD11 LEU 45 1HD1 LEU 45 -4.978 6.192 10.582 312 HD12 LEU 45 2HD1 LEU 45 -4.504 7.371 9.335 313 HD13 LEU 45 3HD1 LEU 45 -6.158 6.714 9.356 314 HD21 LEU 45 1HD2 LEU 45 -5.844 6.029 6.960 315 HD22 LEU 45 2HD2 LEU 45 -4.127 6.495 6.888 316 HD23 LEU 45 3HD2 LEU 45 -4.609 4.817 6.539 317 H THR 46 H THR 46 -0.656 4.907 10.238 318 HA THR 46 HA THR 46 0.558 2.231 10.005 319 HB THR 46 HB THR 46 2.450 3.483 8.895 320 HG1 THR 46 1HG THR 46 1.359 5.499 10.123 321 HG21 THR 46 1HG2 THR 46 1.104 4.353 6.865 322 HG22 THR 46 2HG2 THR 46 0.844 2.643 7.284 323 HG23 THR 46 3HG2 THR 46 -0.359 3.867 7.754 324 H GLN 47 H GLN 47 -0.335 4.294 12.307 325 HA GLN 47 HA GLN 47 0.323 4.663 14.343 326 HB2 GLN 47 1HB GLN 47 2.451 2.579 13.704 327 HB3 GLN 47 2HB GLN 47 2.253 3.276 15.299 328 HG2 GLN 47 1HG GLN 47 -0.336 2.403 14.260 329 HG3 GLN 47 2HG GLN 47 0.817 1.086 14.182 330 HE21 GLN 47 1HE2 GLN 47 -1.362 0.984 15.827 331 HE22 GLN 47 2HE2 GLN 47 -0.887 1.045 17.491 332 H VAL 48 H VAL 48 1.438 6.141 11.933 333 HA VAL 48 HA VAL 48 4.065 6.950 12.811 334 HB VAL 48 HB VAL 48 2.246 7.718 10.531 335 HG11 VAL 48 1HG1 VAL 48 4.397 8.931 9.709 336 HG12 VAL 48 2HG1 VAL 48 3.335 9.748 10.882 337 HG13 VAL 48 3HG1 VAL 48 4.836 8.966 11.434 338 HG21 VAL 48 1HG2 VAL 48 3.385 6.227 9.291 339 HG22 VAL 48 2HG2 VAL 48 4.953 6.706 9.983 340 HG23 VAL 48 3HG2 VAL 48 3.913 5.551 10.850 341 H THR 49 H THR 49 4.532 8.678 14.095 342 HA THR 49 HA THR 49 2.351 10.593 14.581 343 HB THR 49 HB THR 49 2.770 10.458 16.948 344 HG1 THR 49 1HG THR 49 5.083 8.930 15.983 345 HG21 THR 49 1HG2 THR 49 3.404 7.574 16.331 346 HG22 THR 49 2HG2 THR 49 2.215 8.246 17.473 347 HG23 THR 49 3HG2 THR 49 1.857 8.217 15.730 348 H ASP 50 H ASP 50 4.514 10.743 12.631 349 HA ASP 50 HA ASP 50 6.360 12.560 13.888 350 HB2 ASP 50 1HB ASP 50 6.832 10.738 12.017 351 HB3 ASP 50 2HB ASP 50 6.233 11.963 10.917 352 H ARG 51 H ARG 51 6.127 14.812 13.711 353 HA ARG 51 HA ARG 51 3.779 15.874 12.778 354 HB2 ARG 51 1HB ARG 51 6.506 17.139 13.318 355 HB3 ARG 51 2HB ARG 51 5.101 18.103 12.906 356 HG2 ARG 51 1HG ARG 51 3.907 17.404 14.883 357 HG3 ARG 51 2HG ARG 51 5.034 16.099 15.197 358 HD2 ARG 51 1HD ARG 51 5.717 17.763 16.737 359 HD3 ARG 51 2HD ARG 51 6.852 17.968 15.417 360 HE ARG 51 HE ARG 51 4.720 19.651 14.762 361 HH11 ARG 51 2HH2 ARG 51 6.902 19.324 17.503 362 HH12 ARG 51 1HH2 ARG 51 6.836 21.004 17.919 363 HH21 ARG 51 2HH1 ARG 51 4.633 21.868 15.311 364 HH22 ARG 51 1HH1 ARG 51 5.537 22.461 16.664 365 H LYS 52 H LYS 52 6.921 15.290 11.187 366 HA LYS 52 HA LYS 52 6.546 16.969 8.980 367 HB2 LYS 52 1HB LYS 52 8.186 14.437 9.296 368 HB3 LYS 52 2HB LYS 52 8.303 15.539 7.938 369 HG2 LYS 52 1HG LYS 52 8.577 17.344 9.952 370 HG3 LYS 52 2HG LYS 52 9.185 15.927 10.785 371 HD2 LYS 52 1HD LYS 52 11.086 15.812 9.495 372 HD3 LYS 52 2HD LYS 52 10.241 16.247 8.022 373 HE2 LYS 52 1HE LYS 52 10.083 18.613 9.470 374 HE3 LYS 52 2HE LYS 52 11.639 17.992 9.983 375 HZ1 LYS 52 1HZ LYS 52 12.305 17.830 7.717 376 HZ2 LYS 52 2HZ LYS 52 10.825 18.253 7.172 377 HZ3 LYS 52 3HZ LYS 52 11.743 19.342 7.972 378 H CYS 53 H CYS 53 5.038 13.979 9.947 379 HA CYS 53 HA CYS 53 4.335 13.212 7.282 380 HB2 CYS 53 1HB CYS 53 4.312 11.989 9.865 381 HB3 CYS 53 2HB CYS 53 2.675 11.936 9.242 382 HG CYS 53 HG CYS 53 2.962 10.257 7.593 383 H SER 54 H SER 54 2.240 13.462 6.316 384 HA SER 54 HA SER 54 0.560 15.378 7.737 385 HB2 SER 54 1HB SER 54 1.605 15.326 4.980 386 HB3 SER 54 2HB SER 54 -0.133 15.544 5.026 387 HG SER 54 HG SER 54 1.910 17.187 6.228 388 H ARG 55 H ARG 55 -1.604 14.823 8.035 389 HA ARG 55 HA ARG 55 -2.454 12.352 8.086 390 HB2 ARG 55 1HB ARG 55 -3.760 14.982 7.837 391 HB3 ARG 55 2HB ARG 55 -4.763 13.709 7.170 392 HG2 ARG 55 1HG ARG 55 -4.022 12.455 9.452 393 HG3 ARG 55 2HG ARG 55 -3.828 14.107 10.004 394 HD2 ARG 55 1HD ARG 55 -6.287 14.220 8.693 395 HD3 ARG 55 2HD ARG 55 -6.314 12.609 9.383 396 HE ARG 55 HE ARG 55 -5.376 14.427 11.384 397 HH11 ARG 55 2HH2 ARG 55 -8.322 13.641 9.628 398 HH12 ARG 55 1HH2 ARG 55 -9.373 14.182 10.893 399 HH21 ARG 55 2HH1 ARG 55 -6.763 15.141 13.055 400 HH22 ARG 55 1HH1 ARG 55 -8.480 15.041 12.856 401 H ASN 56 H ASN 56 -2.311 14.427 5.165 402 HA ASN 56 HA ASN 56 -3.155 12.096 3.628 403 HB2 ASN 56 1HB ASN 56 -3.413 15.037 2.812 404 HB3 ASN 56 2HB ASN 56 -4.033 13.661 1.921 405 HD21 ASN 56 1HD2 ASN 56 -6.146 13.724 2.016 406 HD22 ASN 56 2HD2 ASN 56 -7.125 13.925 3.431 407 H GLN 57 H GLN 57 -0.554 11.988 4.197 408 HA GLN 57 HA GLN 57 1.148 13.684 2.838 409 HB2 GLN 57 1HB GLN 57 2.038 12.311 4.586 410 HB3 GLN 57 2HB GLN 57 1.431 10.838 3.857 411 HG2 GLN 57 1HG GLN 57 3.859 11.033 3.472 412 HG3 GLN 57 2HG GLN 57 3.001 11.110 1.946 413 HE21 GLN 57 1HE2 GLN 57 5.115 12.063 1.343 414 HE22 GLN 57 2HE2 GLN 57 5.324 13.777 1.475 415 H VAL 58 H VAL 58 -0.101 10.394 1.927 416 HA VAL 58 HA VAL 58 0.205 11.179 -0.865 417 HB VAL 58 HB VAL 58 1.086 8.789 -1.238 418 HG11 VAL 58 1HG1 VAL 58 3.447 9.851 -0.210 419 HG12 VAL 58 2HG1 VAL 58 2.787 10.113 -1.842 420 HG13 VAL 58 3HG1 VAL 58 2.440 11.281 -0.544 421 HG21 VAL 58 1HG2 VAL 58 0.666 8.328 1.325 422 HG22 VAL 58 2HG2 VAL 58 2.058 7.602 0.485 423 HG23 VAL 58 3HG2 VAL 58 2.286 9.045 1.502 424 H GLU 59 H GLU 59 -1.036 9.650 -2.325 425 HA GLU 59 HA GLU 59 -3.324 8.636 -0.825 426 HB2 GLU 59 1HB GLU 59 -3.847 10.601 -2.257 427 HB3 GLU 59 2HB GLU 59 -3.232 9.754 -3.663 428 HG2 GLU 59 1HG GLU 59 -5.112 8.448 -3.867 429 HG3 GLU 59 2HG GLU 59 -5.262 8.211 -2.137 430 H LEU 60 H LEU 60 -3.186 6.434 -0.686 431 HA LEU 60 HA LEU 60 -1.869 4.994 -2.829 432 HB2 LEU 60 1HB LEU 60 -2.704 4.403 -0.023 433 HB3 LEU 60 2HB LEU 60 -2.510 3.067 -1.140 434 HG LEU 60 HG LEU 60 -0.178 4.432 -1.562 435 HD11 LEU 60 1HD1 LEU 60 0.714 4.906 0.750 436 HD12 LEU 60 2HD1 LEU 60 -0.474 6.075 0.125 437 HD13 LEU 60 3HD1 LEU 60 -0.970 4.859 1.326 438 HD21 LEU 60 1HD2 LEU 60 -0.327 2.431 0.672 439 HD22 LEU 60 2HD2 LEU 60 -0.748 1.954 -0.991 440 HD23 LEU 60 3HD2 LEU 60 0.872 2.597 -0.633 441 H ILE 61 H ILE 61 -2.870 3.471 -4.180 442 HA ILE 61 HA ILE 61 -5.755 3.180 -3.883 443 HB ILE 61 HB ILE 61 -4.356 4.273 -6.319 444 HG12 ILE 61 1HG1 ILE 61 -6.732 5.376 -4.803 445 HG13 ILE 61 2HG1 ILE 61 -5.077 5.823 -4.439 446 HG21 ILE 61 1HG2 ILE 61 -5.792 3.129 -7.575 447 HG22 ILE 61 2HG2 ILE 61 -6.706 2.567 -6.155 448 HG23 ILE 61 3HG2 ILE 61 -7.076 4.149 -6.884 449 HD11 ILE 61 1HD1 ILE 61 -4.950 6.276 -7.071 450 HD12 ILE 61 2HD1 ILE 61 -6.715 6.429 -6.895 451 HD13 ILE 61 3HD1 ILE 61 -5.633 7.493 -5.966 452 H ALA 62 H ALA 62 -6.196 1.048 -3.885 453 HA ALA 62 HA ALA 62 -4.191 -0.804 -4.719 454 HB1 ALA 62 1HB ALA 62 -6.354 -0.778 -2.954 455 HB2 ALA 62 2HB ALA 62 -6.878 -1.879 -4.252 456 HB3 ALA 62 3HB ALA 62 -5.359 -2.192 -3.378 457 H ASP 63 H ASP 63 -3.950 -1.783 -6.679 458 HA ASP 63 HA ASP 63 -6.165 -1.409 -8.540 459 HB2 ASP 63 1HB ASP 63 -3.770 -0.231 -8.850 460 HB3 ASP 63 2HB ASP 63 -3.320 -1.804 -9.478 461 HA PRO 64 HA PRO 64 -5.448 -5.858 -8.111 462 HB2 PRO 64 1HB PRO 64 -8.067 -6.630 -8.230 463 HB3 PRO 64 2HB PRO 64 -7.239 -6.279 -6.726 464 HG2 PRO 64 1HG PRO 64 -9.229 -4.640 -8.173 465 HG3 PRO 64 2HG PRO 64 -8.717 -4.522 -6.501 466 HD2 PRO 64 1HD PRO 64 -7.935 -2.803 -8.659 467 HD3 PRO 64 2HD PRO 64 -7.335 -2.758 -7.014 468 H GLU 65 H GLU 65 -6.243 -3.854 -10.526 469 HA GLU 65 HA GLU 65 -7.086 -5.834 -12.379 470 HB2 GLU 65 1HB GLU 65 -7.905 -3.833 -13.128 471 HB3 GLU 65 2HB GLU 65 -6.634 -2.903 -12.358 472 HG2 GLU 65 1HG GLU 65 -6.418 -2.703 -14.794 473 HG3 GLU 65 2HG GLU 65 -5.040 -3.583 -14.163 474 H SER 66 H SER 66 -4.027 -4.417 -11.280 475 HA SER 66 HA SER 66 -2.667 -6.337 -12.947 476 HB2 SER 66 1HB SER 66 -2.552 -3.404 -13.323 477 HB3 SER 66 2HB SER 66 -0.970 -4.136 -13.145 478 HG SER 66 HG SER 66 -1.152 -5.075 -15.072 479 H ARG 67 H ARG 67 -3.348 -5.948 -10.037 480 HA ARG 67 HA ARG 67 -2.441 -5.941 -8.065 481 HB2 ARG 67 1HB ARG 67 -0.245 -7.320 -9.675 482 HB3 ARG 67 2HB ARG 67 -0.175 -7.217 -7.927 483 HG2 ARG 67 1HG ARG 67 -1.357 -9.178 -7.987 484 HG3 ARG 67 2HG ARG 67 -2.743 -8.136 -8.244 485 HD2 ARG 67 1HD ARG 67 -3.083 -9.134 -10.254 486 HD3 ARG 67 2HD ARG 67 -1.562 -8.469 -10.817 487 HE ARG 67 HE ARG 67 -0.724 -10.664 -9.394 488 HH11 ARG 67 2HH2 ARG 67 -3.170 -10.250 -11.890 489 HH12 ARG 67 1HH2 ARG 67 -3.002 -11.862 -12.501 490 HH21 ARG 67 2HH1 ARG 67 -0.502 -12.790 -10.200 491 HH22 ARG 67 1HH1 ARG 67 -1.474 -13.317 -11.533 492 H THR 68 H THR 68 -2.072 -3.446 -9.433 493 HA THR 68 HA THR 68 0.584 -2.637 -8.443 494 HB THR 68 HB THR 68 0.139 -0.740 -10.224 495 HG1 THR 68 1HG THR 68 -1.664 -1.183 -11.447 496 HG21 THR 68 1HG2 THR 68 1.846 -2.158 -10.986 497 HG22 THR 68 2HG2 THR 68 0.870 -3.626 -10.739 498 HG23 THR 68 3HG2 THR 68 0.566 -2.582 -12.148 499 H VAL 69 H VAL 69 0.550 -0.105 -8.026 500 HA VAL 69 HA VAL 69 -1.954 0.746 -6.872 501 HB VAL 69 HB VAL 69 0.506 0.259 -5.180 502 HG11 VAL 69 1HG1 VAL 69 -1.323 2.308 -4.884 503 HG12 VAL 69 2HG1 VAL 69 -1.973 1.041 -3.817 504 HG13 VAL 69 3HG1 VAL 69 -0.307 1.624 -3.593 505 HG21 VAL 69 1HG2 VAL 69 -0.713 -1.800 -5.585 506 HG22 VAL 69 2HG2 VAL 69 -0.986 -1.268 -3.909 507 HG23 VAL 69 3HG2 VAL 69 -2.249 -1.018 -5.138 508 H ALA 70 H ALA 70 -2.099 2.998 -6.774 509 HA ALA 70 HA ALA 70 0.203 4.374 -7.952 510 HB1 ALA 70 1HB ALA 70 -1.317 5.483 -9.189 511 HB2 ALA 70 2HB ALA 70 -2.537 4.347 -8.567 512 HB3 ALA 70 3HB ALA 70 -2.273 5.905 -7.748 513 H VAL 71 H VAL 71 1.169 6.139 -6.925 514 HA VAL 71 HA VAL 71 0.115 6.741 -4.250 515 HB VAL 71 HB VAL 71 2.976 6.322 -5.130 516 HG11 VAL 71 1HG1 VAL 71 2.188 6.998 -2.305 517 HG12 VAL 71 2HG1 VAL 71 3.764 7.167 -3.117 518 HG13 VAL 71 3HG1 VAL 71 2.441 8.297 -3.496 519 HG21 VAL 71 1HG2 VAL 71 1.761 4.251 -4.668 520 HG22 VAL 71 2HG2 VAL 71 2.976 4.560 -3.404 521 HG23 VAL 71 3HG2 VAL 71 1.255 4.882 -3.083 522 H LYS 72 H LYS 72 -0.680 8.778 -4.305 523 HA LYS 72 HA LYS 72 0.784 10.711 -5.964 524 HB2 LYS 72 1HB LYS 72 -1.436 10.344 -6.828 525 HB3 LYS 72 2HB LYS 72 -2.154 10.551 -5.244 526 HG2 LYS 72 1HG LYS 72 -2.032 12.843 -5.338 527 HG3 LYS 72 2HG LYS 72 -0.443 12.831 -6.077 528 HD2 LYS 72 1HD LYS 72 -1.358 13.223 -8.111 529 HD3 LYS 72 2HD LYS 72 -2.286 11.741 -8.001 530 HE2 LYS 72 1HE LYS 72 -3.669 13.487 -6.290 531 HE3 LYS 72 2HE LYS 72 -3.164 14.532 -7.603 532 HZ1 LYS 72 1HZ LYS 72 -4.017 12.467 -8.971 533 HZ2 LYS 72 2HZ LYS 72 -4.971 12.289 -7.657 534 HZ3 LYS 72 3HZ LYS 72 -5.010 13.680 -8.512 535 H GLN 73 H GLN 73 1.948 12.189 -4.867 536 HA GLN 73 HA GLN 73 1.635 12.321 -2.045 537 HB2 GLN 73 1HB GLN 73 3.878 12.440 -2.847 538 HB3 GLN 73 2HB GLN 73 3.482 13.648 -4.054 539 HG2 GLN 73 1HG GLN 73 3.124 15.353 -2.339 540 HG3 GLN 73 2HG GLN 73 3.245 14.166 -1.056 541 HE21 GLN 73 1HE2 GLN 73 4.793 16.636 -1.869 542 HE22 GLN 73 2HE2 GLN 73 6.460 16.165 -1.851 543 H LEU 74 H LEU 74 0.240 13.647 -0.971 544 HA LEU 74 HA LEU 74 -0.601 16.085 -2.379 545 HB2 LEU 74 1HB LEU 74 -2.341 14.790 -0.335 546 HB3 LEU 74 2HB LEU 74 -2.769 15.806 -1.698 547 HG LEU 74 HG LEU 74 -1.580 13.220 -2.466 548 HD11 LEU 74 1HD1 LEU 74 -4.247 12.518 -1.896 549 HD12 LEU 74 2HD1 LEU 74 -2.761 11.868 -1.163 550 HD13 LEU 74 3HD1 LEU 74 -3.596 13.246 -0.408 551 HD21 LEU 74 1HD2 LEU 74 -3.595 13.229 -3.976 552 HD22 LEU 74 2HD2 LEU 74 -4.021 14.811 -3.279 553 HD23 LEU 74 3HD2 LEU 74 -2.490 14.612 -4.165 554 H GLY 75 H GLY 75 1.452 14.994 -0.080 555 HA2 GLY 75 1HA GLY 75 0.742 16.904 2.012 556 HA3 GLY 75 2HA GLY 75 2.013 15.698 2.052 557 H VAL 76 H VAL 76 3.795 16.987 2.549 558 HA VAL 76 HA VAL 76 4.430 19.030 0.535 559 HB VAL 76 HB VAL 76 3.945 20.314 2.382 560 HG11 VAL 76 1HG1 VAL 76 3.574 18.360 3.906 561 HG12 VAL 76 2HG1 VAL 76 5.326 18.334 4.222 562 HG13 VAL 76 3HG1 VAL 76 4.358 19.753 4.688 563 HG21 VAL 76 1HG2 VAL 76 5.992 21.242 3.154 564 HG22 VAL 76 2HG2 VAL 76 6.853 19.696 2.962 565 HG23 VAL 76 3HG2 VAL 76 6.323 20.604 1.526 566 H ASN 77 H ASN 77 5.769 16.824 3.090 567 HA ASN 77 HA ASN 77 8.358 16.934 2.119 568 HB2 ASN 77 1HB ASN 77 6.853 14.825 3.742 569 HB3 ASN 77 2HB ASN 77 8.565 14.682 3.400 570 HD21 ASN 77 1HD2 ASN 77 6.166 16.067 5.352 571 HD22 ASN 77 2HD2 ASN 77 7.147 17.105 6.332 572 HA PRO 78 HA PRO 78 7.932 14.232 -1.322 573 HB2 PRO 78 1HB PRO 78 10.565 13.743 -1.866 574 HB3 PRO 78 2HB PRO 78 9.729 15.190 -2.395 575 HG2 PRO 78 1HG PRO 78 11.688 14.878 -0.202 576 HG3 PRO 78 2HG PRO 78 11.173 16.343 -1.014 577 HD2 PRO 78 1HD PRO 78 10.359 15.445 1.585 578 HD3 PRO 78 2HD PRO 78 9.757 16.848 0.726 579 H SER 79 H SER 79 7.301 12.179 -1.570 580 HA SER 79 HA SER 79 8.333 10.416 0.474 581 HB2 SER 79 1HB SER 79 5.929 10.376 -1.363 582 HB3 SER 79 2HB SER 79 6.471 8.883 -0.623 583 HG SER 79 HG SER 79 5.163 9.588 0.957 584 H THR 80 H THR 80 8.910 8.116 -0.180 585 HA THR 80 HA THR 80 10.116 8.101 -2.870 586 HB THR 80 HB THR 80 11.145 6.740 -0.328 587 HG1 THR 80 1HG THR 80 11.854 8.795 0.072 588 HG21 THR 80 1HG2 THR 80 12.016 5.814 -2.501 589 HG22 THR 80 2HG2 THR 80 12.484 7.461 -2.989 590 HG23 THR 80 3HG2 THR 80 13.280 6.684 -1.599 591 H VAL 81 H VAL 81 9.066 6.792 -4.217 592 HA VAL 81 HA VAL 81 7.593 4.562 -3.056 593 HB VAL 81 HB VAL 81 7.560 6.006 -5.696 594 HG11 VAL 81 1HG1 VAL 81 5.587 4.290 -6.121 595 HG12 VAL 81 2HG1 VAL 81 7.265 3.896 -6.566 596 HG13 VAL 81 3HG1 VAL 81 6.568 3.250 -5.061 597 HG21 VAL 81 1HG2 VAL 81 5.419 5.458 -3.612 598 HG22 VAL 81 2HG2 VAL 81 6.283 6.995 -3.853 599 HG23 VAL 81 3HG2 VAL 81 5.197 6.376 -5.121 600 H GLY 82 H GLY 82 9.511 3.307 -2.489 601 HA2 GLY 82 1HA GLY 82 10.505 1.292 -3.142 602 HA3 GLY 82 2HA GLY 82 10.507 1.818 -4.813 603 H VAL 83 H VAL 83 12.197 3.149 -5.623 604 HA VAL 83 HA VAL 83 14.286 3.832 -3.688 605 HB VAL 83 HB VAL 83 14.767 1.658 -4.811 606 HG11 VAL 83 1HG1 VAL 83 13.892 3.020 -7.118 607 HG12 VAL 83 2HG1 VAL 83 15.637 2.751 -7.344 608 HG13 VAL 83 3HG1 VAL 83 14.560 1.373 -7.014 609 HG21 VAL 83 1HG2 VAL 83 17.033 2.816 -5.891 610 HG22 VAL 83 2HG2 VAL 83 16.479 4.038 -4.722 611 HG23 VAL 83 3HG2 VAL 83 16.800 2.372 -4.183 612 H GLN 84 H GLN 84 11.996 5.151 -5.369 613 HA GLN 84 HA GLN 84 13.767 7.148 -6.546 614 HB2 GLN 84 1HB GLN 84 12.747 6.124 -8.432 615 HB3 GLN 84 2HB GLN 84 11.196 5.965 -7.631 616 HG2 GLN 84 1HG GLN 84 10.637 8.225 -7.941 617 HG3 GLN 84 2HG GLN 84 12.309 8.744 -8.010 618 HE21 GLN 84 1HE2 GLN 84 9.553 7.906 -9.749 619 HE22 GLN 84 2HE2 GLN 84 10.210 7.848 -11.351 620 H GLU 85 H GLU 85 13.309 9.315 -6.049 621 HA GLU 85 HA GLU 85 11.512 9.644 -3.854 622 HB2 GLU 85 1HB GLU 85 13.908 10.839 -4.643 623 HB3 GLU 85 2HB GLU 85 12.728 12.088 -4.988 624 HG2 GLU 85 1HG GLU 85 12.485 12.557 -2.782 625 HG3 GLU 85 2HG GLU 85 12.100 10.886 -2.419 626 H LEU 86 H LEU 86 9.689 11.107 -3.795 627 HA LEU 86 HA LEU 86 8.578 11.573 -6.470 628 HB2 LEU 86 1HB LEU 86 7.361 10.925 -3.807 629 HB3 LEU 86 2HB LEU 86 6.419 11.762 -5.025 630 HG LEU 86 HG LEU 86 7.579 8.980 -5.136 631 HD11 LEU 86 1HD1 LEU 86 5.485 8.848 -4.173 632 HD12 LEU 86 2HD1 LEU 86 4.829 10.185 -5.148 633 HD13 LEU 86 3HD1 LEU 86 5.114 8.595 -5.896 634 HD21 LEU 86 1HD2 LEU 86 8.178 9.786 -7.264 635 HD22 LEU 86 2HD2 LEU 86 6.641 8.921 -7.505 636 HD23 LEU 86 3HD2 LEU 86 6.661 10.700 -7.442 637 H LYS 87 H LYS 87 6.659 13.469 -5.946 638 HA LYS 87 HA LYS 87 8.015 15.646 -4.571 639 HB2 LYS 87 1HB LYS 87 7.820 15.377 -7.482 640 HB3 LYS 87 2HB LYS 87 7.112 16.869 -6.895 641 HG2 LYS 87 1HG LYS 87 9.288 17.611 -6.981 642 HG3 LYS 87 2HG LYS 87 9.380 16.873 -5.395 643 HD2 LYS 87 1HD LYS 87 11.088 15.621 -6.226 644 HD3 LYS 87 2HD LYS 87 9.862 14.703 -7.077 645 HE2 LYS 87 1HE LYS 87 10.053 16.539 -8.936 646 HE3 LYS 87 2HE LYS 87 11.538 17.011 -8.133 647 HZ1 LYS 87 1HZ LYS 87 12.095 14.547 -8.301 648 HZ2 LYS 87 2HZ LYS 87 10.915 14.473 -9.429 649 HZ3 LYS 87 3HZ LYS 87 12.203 15.451 -9.657 650 HA PRO 88 HA PRO 88 3.969 16.802 -3.594 651 HB2 PRO 88 1HB PRO 88 3.928 19.532 -3.719 652 HB3 PRO 88 2HB PRO 88 4.631 18.644 -2.381 653 HG2 PRO 88 1HG PRO 88 5.998 20.071 -4.580 654 HG3 PRO 88 2HG PRO 88 6.646 19.555 -3.036 655 HD2 PRO 88 1HD PRO 88 7.070 18.301 -5.581 656 HD3 PRO 88 2HD PRO 88 7.621 17.721 -4.022 657 H GLY 89 H GLY 89 2.289 16.091 -4.743 658 HA2 GLY 89 1HA GLY 89 0.497 16.643 -6.132 659 HA3 GLY 89 2HA GLY 89 1.484 17.830 -6.962 660 H LEU 90 H LEU 90 3.466 15.148 -6.515 661 HA LEU 90 HA LEU 90 3.145 14.400 -9.279 662 HB2 LEU 90 1HB LEU 90 5.306 14.743 -7.772 663 HB3 LEU 90 2HB LEU 90 5.048 13.043 -7.431 664 HG LEU 90 HG LEU 90 5.402 12.402 -9.663 665 HD11 LEU 90 1HD1 LEU 90 5.787 14.347 -11.413 666 HD12 LEU 90 2HD1 LEU 90 4.160 13.717 -11.059 667 HD13 LEU 90 3HD1 LEU 90 4.709 15.235 -10.309 668 HD21 LEU 90 1HD2 LEU 90 7.608 12.860 -9.883 669 HD22 LEU 90 2HD2 LEU 90 7.381 14.617 -9.706 670 HD23 LEU 90 3HD2 LEU 90 7.371 13.569 -8.267 671 H SER 91 H SER 91 3.578 11.778 -9.525 672 HA SER 91 HA SER 91 2.029 10.302 -7.657 673 HB2 SER 91 1HB SER 91 0.779 9.787 -10.222 674 HB3 SER 91 2HB SER 91 0.028 10.241 -8.706 675 HG SER 91 HG SER 91 0.571 11.794 -10.942 676 H GLY 92 H GLY 92 2.658 8.128 -7.722 677 HA2 GLY 92 1HA GLY 92 4.196 7.265 -10.093 678 HA3 GLY 92 2HA GLY 92 4.808 7.039 -8.467 679 H SER 93 H SER 93 4.787 4.690 -9.261 680 HA SER 93 HA SER 93 2.194 3.580 -8.553 681 HB2 SER 93 1HB SER 93 2.513 1.805 -10.283 682 HB3 SER 93 2HB SER 93 2.344 3.403 -10.981 683 HG SER 93 HG SER 93 4.851 3.383 -10.844 684 H LEU 94 H LEU 94 2.313 1.486 -7.473 685 HA LEU 94 HA LEU 94 5.040 0.782 -6.638 686 HB2 LEU 94 1HB LEU 94 2.899 1.768 -5.057 687 HB3 LEU 94 2HB LEU 94 3.105 0.075 -4.652 688 HG LEU 94 HG LEU 94 5.705 1.234 -4.741 689 HD11 LEU 94 1HD1 LEU 94 3.928 2.802 -2.871 690 HD12 LEU 94 2HD1 LEU 94 5.638 3.077 -3.281 691 HD13 LEU 94 3HD1 LEU 94 4.371 3.392 -4.491 692 HD21 LEU 94 1HD2 LEU 94 5.872 0.437 -2.513 693 HD22 LEU 94 2HD2 LEU 94 4.108 0.491 -2.283 694 HD23 LEU 94 3HD2 LEU 94 4.826 -0.707 -3.387 695 H SER 95 H SER 95 5.610 -1.323 -6.935 696 HA SER 95 HA SER 95 3.517 -3.019 -7.995 697 HB2 SER 95 1HB SER 95 6.500 -3.610 -7.930 698 HB3 SER 95 2HB SER 95 5.287 -4.353 -8.954 699 HG SER 95 HG SER 95 5.313 -2.657 -10.310 700 H LEU 96 H LEU 96 3.369 -5.310 -7.252 701 HA LEU 96 HA LEU 96 3.187 -5.532 -4.519 702 HB2 LEU 96 1HB LEU 96 3.017 -7.299 -6.852 703 HB3 LEU 96 2HB LEU 96 3.508 -8.121 -5.384 704 HG LEU 96 HG LEU 96 1.037 -6.381 -5.585 705 HD11 LEU 96 1HD1 LEU 96 1.167 -8.518 -7.072 706 HD12 LEU 96 2HD1 LEU 96 0.942 -9.382 -5.532 707 HD13 LEU 96 3HD1 LEU 96 -0.281 -8.212 -6.083 708 HD21 LEU 96 1HD2 LEU 96 0.382 -7.351 -3.492 709 HD22 LEU 96 2HD2 LEU 96 1.780 -8.452 -3.504 710 HD23 LEU 96 3HD2 LEU 96 2.029 -6.699 -3.317 711 H GLY 97 H GLY 97 4.903 -5.020 -3.214 712 HA2 GLY 97 1HA GLY 97 6.706 -6.342 -2.133 713 HA3 GLY 97 2HA GLY 97 7.419 -6.492 -3.727 714 H ASP 98 H ASP 98 6.479 -3.670 -4.469 715 HA ASP 98 HA ASP 98 8.824 -2.381 -3.842 716 HB2 ASP 98 1HB ASP 98 6.132 -1.567 -4.917 717 HB3 ASP 98 2HB ASP 98 7.204 -0.281 -4.399 718 H VAL 99 H VAL 99 9.194 -0.505 -2.382 719 HA VAL 99 HA VAL 99 7.515 -0.671 -0.002 720 HB VAL 99 HB VAL 99 10.243 0.543 -0.488 721 HG11 VAL 99 1HG1 VAL 99 10.346 0.629 2.023 722 HG12 VAL 99 2HG1 VAL 99 9.183 1.760 1.289 723 HG13 VAL 99 3HG1 VAL 99 8.605 0.258 2.050 724 HG21 VAL 99 1HG2 VAL 99 10.124 -1.670 1.390 725 HG22 VAL 99 2HG2 VAL 99 9.504 -2.147 -0.209 726 HG23 VAL 99 3HG2 VAL 99 11.138 -1.458 -0.057 727 H LEU 100 H LEU 100 7.174 1.501 1.181 728 HA LEU 100 HA LEU 100 6.952 3.738 -0.656 729 HB2 LEU 100 1HB LEU 100 4.865 2.537 -0.966 730 HB3 LEU 100 2HB LEU 100 4.580 2.521 0.763 731 HG LEU 100 HG LEU 100 4.355 4.960 0.781 732 HD11 LEU 100 1HD1 LEU 100 5.663 4.780 -1.750 733 HD12 LEU 100 2HD1 LEU 100 4.078 5.557 -1.985 734 HD13 LEU 100 3HD1 LEU 100 5.233 6.229 -0.809 735 HD21 LEU 100 1HD2 LEU 100 2.342 3.675 0.497 736 HD22 LEU 100 2HD2 LEU 100 2.249 5.125 -0.531 737 HD23 LEU 100 3HD2 LEU 100 2.619 3.542 -1.256 738 H TYR 101 H TYR 101 8.630 4.670 0.619 739 HA TYR 101 HA TYR 101 8.526 4.799 3.416 740 HB2 TYR 101 1HB TYR 101 9.744 6.535 1.181 741 HB3 TYR 101 2HB TYR 101 10.157 6.763 2.869 742 HD1 TYR 101 2HD TYR 101 11.356 4.925 4.113 743 HD2 TYR 101 1HD TYR 101 10.748 4.799 -0.120 744 HE1 TYR 101 2HE TYR 101 13.183 3.170 3.895 745 HE2 TYR 101 1HE TYR 101 12.577 3.045 -0.324 746 HH TYR 101 HH TYR 101 14.706 2.357 2.235 747 H LEU 102 H LEU 102 6.655 5.567 4.374 748 HA LEU 102 HA LEU 102 4.873 7.342 3.540 749 HB2 LEU 102 1HB LEU 102 5.700 6.271 6.021 750 HB3 LEU 102 2HB LEU 102 5.491 7.993 6.268 751 HG LEU 102 HG LEU 102 3.256 6.969 4.761 752 HD11 LEU 102 1HD1 LEU 102 2.601 5.098 5.781 753 HD12 LEU 102 2HD1 LEU 102 4.270 4.979 6.388 754 HD13 LEU 102 3HD1 LEU 102 3.007 5.729 7.395 755 HD21 LEU 102 1HD2 LEU 102 1.991 7.891 6.701 756 HD22 LEU 102 2HD2 LEU 102 3.544 8.205 7.511 757 HD23 LEU 102 3HD2 LEU 102 3.154 9.031 5.983 758 H VAL 103 H VAL 103 7.874 8.330 5.344 759 HA VAL 103 HA VAL 103 8.269 10.543 3.622 760 HB VAL 103 HB VAL 103 6.333 11.354 4.921 761 HG11 VAL 103 1HG1 VAL 103 8.196 10.989 7.288 762 HG12 VAL 103 2HG1 VAL 103 6.704 11.959 7.328 763 HG13 VAL 103 3HG1 VAL 103 6.620 10.208 7.016 764 HG21 VAL 103 1HG2 VAL 103 7.161 13.519 5.221 765 HG22 VAL 103 2HG2 VAL 103 8.748 12.942 5.783 766 HG23 VAL 103 3HG2 VAL 103 8.308 12.802 4.064 767 H ASN 104 H ASN 104 10.096 12.006 4.661 768 HA ASN 104 HA ASN 104 12.227 11.961 5.149 769 HB2 ASN 104 1HB ASN 104 10.698 11.607 7.515 770 HB3 ASN 104 2HB ASN 104 12.026 10.477 7.689 771 HD21 ASN 104 1HD2 ASN 104 11.067 13.801 7.396 772 HD22 ASN 104 2HD2 ASN 104 12.570 14.543 7.836 773 H GLY 105 H GLY 105 11.586 9.758 3.484 774 HA2 GLY 105 1HA GLY 105 12.133 7.632 2.920 775 HA3 GLY 105 2HA GLY 105 13.712 8.119 3.505 776 H LEU 106 H LEU 106 10.938 7.990 5.725 777 HA LEU 106 HA LEU 106 12.049 5.510 6.840 778 HB2 LEU 106 1HB LEU 106 11.227 8.060 8.195 779 HB3 LEU 106 2HB LEU 106 11.169 6.532 9.051 780 HG LEU 106 HG LEU 106 13.624 7.807 7.816 781 HD11 LEU 106 1HD1 LEU 106 12.541 7.641 10.607 782 HD12 LEU 106 2HD1 LEU 106 14.301 7.676 10.343 783 HD13 LEU 106 3HD1 LEU 106 13.285 9.011 9.747 784 HD21 LEU 106 1HD2 LEU 106 13.915 5.470 7.560 785 HD22 LEU 106 2HD2 LEU 106 14.842 5.938 9.006 786 HD23 LEU 106 3HD2 LEU 106 13.263 5.134 9.182 787 H TYR 107 H TYR 107 10.107 4.970 8.743 788 HA TYR 107 HA TYR 107 8.234 3.728 8.752 789 HB2 TYR 107 1HB TYR 107 6.998 6.216 7.466 790 HB3 TYR 107 2HB TYR 107 6.337 5.256 8.775 791 HD1 TYR 107 2HD TYR 107 8.173 5.156 10.881 792 HD2 TYR 107 1HD TYR 107 7.616 8.353 8.092 793 HE1 TYR 107 2HE TYR 107 9.133 6.802 12.564 794 HE2 TYR 107 1HE TYR 107 8.578 9.987 9.785 795 HH TYR 107 HH TYR 107 8.711 9.568 12.818 796 HA PRO 108 HA PRO 108 8.040 2.981 4.237 797 HB2 PRO 108 1HB PRO 108 9.411 0.620 4.119 798 HB3 PRO 108 2HB PRO 108 10.149 2.174 3.786 799 HG2 PRO 108 1HG PRO 108 10.421 0.470 6.186 800 HG3 PRO 108 2HG PRO 108 11.450 1.784 5.650 801 HD2 PRO 108 1HD PRO 108 9.510 1.874 7.762 802 HD3 PRO 108 2HD PRO 108 10.455 3.216 7.149 803 H LEU 109 H LEU 109 7.107 1.034 3.007 804 HA LEU 109 HA LEU 109 5.651 -0.725 4.756 805 HB2 LEU 109 1HB LEU 109 4.316 1.509 3.262 806 HB3 LEU 109 2HB LEU 109 3.473 -0.001 3.546 807 HG LEU 109 HG LEU 109 4.479 0.669 6.058 808 HD11 LEU 109 1HD1 LEU 109 3.275 3.076 6.089 809 HD12 LEU 109 2HD1 LEU 109 5.028 2.852 5.877 810 HD13 LEU 109 3HD1 LEU 109 3.986 3.117 4.458 811 HD21 LEU 109 1HD2 LEU 109 1.719 1.533 5.325 812 HD22 LEU 109 2HD2 LEU 109 2.154 -0.178 5.092 813 HD23 LEU 109 3HD2 LEU 109 2.296 0.565 6.703 814 H THR 110 H THR 110 5.303 -2.678 3.761 815 HA THR 110 HA THR 110 6.196 -2.832 0.977 816 HB THR 110 HB THR 110 5.789 -4.955 3.149 817 HG1 THR 110 1HG THR 110 8.115 -4.696 3.244 818 HG21 THR 110 1HG2 THR 110 5.709 -5.935 0.852 819 HG22 THR 110 2HG2 THR 110 7.194 -5.052 0.427 820 HG23 THR 110 3HG2 THR 110 7.245 -6.340 1.655 821 H LEU 111 H LEU 111 4.886 -3.290 -0.698 822 HA LEU 111 HA LEU 111 2.066 -3.501 -0.080 823 HB2 LEU 111 1HB LEU 111 2.575 -1.902 -1.713 824 HB3 LEU 111 2HB LEU 111 3.676 -2.970 -2.560 825 HG LEU 111 HG LEU 111 1.799 -4.345 -3.331 826 HD11 LEU 111 1HD1 LEU 111 -0.360 -4.150 -2.671 827 HD12 LEU 111 2HD1 LEU 111 0.408 -3.508 -1.200 828 HD13 LEU 111 3HD1 LEU 111 -0.248 -2.392 -2.421 829 HD21 LEU 111 1HD2 LEU 111 1.300 -1.415 -3.916 830 HD22 LEU 111 2HD2 LEU 111 2.594 -2.392 -4.650 831 HD23 LEU 111 3HD2 LEU 111 0.889 -2.810 -4.943 832 H ARG 112 H ARG 112 1.011 -5.402 0.074 833 HA ARG 112 HA ARG 112 2.182 -7.623 -1.392 834 HB2 ARG 112 1HB ARG 112 1.105 -7.592 1.465 835 HB3 ARG 112 2HB ARG 112 1.318 -9.084 0.570 836 HG2 ARG 112 1HG ARG 112 3.596 -7.088 0.879 837 HG3 ARG 112 2HG ARG 112 3.272 -8.296 2.106 838 HD2 ARG 112 1HD ARG 112 3.799 -10.105 0.660 839 HD3 ARG 112 2HD ARG 112 3.526 -9.159 -0.790 840 HE ARG 112 HE ARG 112 5.645 -7.874 0.529 841 HH11 ARG 112 2HH2 ARG 112 5.040 -11.083 -0.783 842 HH12 ARG 112 1HH2 ARG 112 6.707 -11.389 -1.142 843 HH21 ARG 112 2HH1 ARG 112 7.843 -8.278 0.055 844 HH22 ARG 112 1HH1 ARG 112 8.312 -9.783 -0.662 845 H TRP 113 H TRP 113 0.493 -9.479 -1.676 846 HA TRP 113 HA TRP 113 -2.234 -8.411 -1.726 847 HB2 TRP 113 1HB TRP 113 -1.949 -8.070 -3.923 848 HB3 TRP 113 2HB TRP 113 -0.558 -9.129 -4.031 849 HD1 TRP 113 HD TRP 113 -1.471 -11.960 -3.713 850 HE1 TRP 113 1HE TRP 113 -3.368 -13.188 -5.076 851 HE3 TRP 113 3HE TRP 113 -3.894 -7.732 -5.165 852 HZ2 TRP 113 2HZ TRP 113 -5.618 -12.275 -6.575 853 HZ3 TRP 113 3HZ TRP 113 -5.932 -7.988 -6.577 854 HH2 TRP 113 HH TRP 113 -6.800 -10.162 -7.281 855 H SER 114 H SER 114 -3.733 -9.927 -1.029 856 HA SER 114 HA SER 114 -2.662 -12.320 0.044 857 HB2 SER 114 1HB SER 114 -4.534 -10.878 1.044 858 HB3 SER 114 2HB SER 114 -5.596 -11.533 -0.186 859 HG SER 114 HG SER 114 -4.572 -13.708 0.771 860 H GLY 115 H GLY 115 -2.844 -14.431 -0.754 861 HA2 GLY 115 1HA GLY 115 -4.713 -15.115 -2.816 862 HA3 GLY 115 2HA GLY 115 -3.084 -14.926 -3.434 863 HA PRO 116 HA PRO 116 -3.218 -19.151 -1.907 864 HB2 PRO 116 1HB PRO 116 -1.938 -20.306 -4.027 865 HB3 PRO 116 2HB PRO 116 -3.681 -20.165 -3.921 866 HG2 PRO 116 1HG PRO 116 -1.793 -18.602 -5.573 867 HG3 PRO 116 2HG PRO 116 -3.527 -18.777 -5.757 868 HD2 PRO 116 1HD PRO 116 -2.134 -16.513 -4.678 869 HD3 PRO 116 2HD PRO 116 -3.871 -16.736 -4.755 870 H SER 117 H SER 117 -1.869 -18.146 -0.228 871 HA SER 117 HA SER 117 0.871 -18.977 -0.770 872 HB2 SER 117 1HB SER 117 -0.163 -16.407 0.431 873 HB3 SER 117 2HB SER 117 1.372 -17.038 0.995 874 HG SER 117 HG SER 117 0.656 -16.036 -1.577 875 H SER 118 H SER 118 2.109 -19.501 1.300 876 HA SER 118 HA SER 118 2.320 -20.559 3.182 877 HB2 SER 118 1HB SER 118 -0.326 -19.203 3.829 878 HB3 SER 118 2HB SER 118 0.512 -20.208 4.995 879 HG SER 118 HG SER 118 1.152 -18.049 5.333 880 H GLY 119 H GLY 119 1.196 -22.351 4.674 881 HA2 GLY 119 1HA GLY 119 0.060 -24.291 4.848 882 HA3 GLY 119 2HA GLY 119 -1.050 -23.733 3.612 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -37.366 -24.881 -15.788 2 HA2 GLY 1 1HA GLY 1 -35.104 -26.278 -15.723 3 HA3 GLY 1 2HA GLY 1 -35.711 -26.735 -17.302 4 H SER 2 H SER 2 -33.815 -24.491 -15.632 5 HA SER 2 HA SER 2 -33.489 -22.950 -17.969 6 HB2 SER 2 1HB SER 2 -35.576 -21.932 -16.883 7 HB3 SER 2 2HB SER 2 -34.556 -21.447 -15.543 8 HG SER 2 HG SER 2 -34.123 -20.694 -18.309 9 H SER 3 H SER 3 -31.447 -21.899 -17.932 10 HA SER 3 HA SER 3 -30.147 -21.312 -15.526 11 HB2 SER 3 1HB SER 3 -29.724 -24.005 -16.682 12 HB3 SER 3 2HB SER 3 -28.232 -23.123 -16.423 13 HG SER 3 HG SER 3 -29.208 -24.480 -14.581 14 H GLY 4 H GLY 4 -28.029 -20.267 -15.940 15 HA2 GLY 4 1HA GLY 4 -26.752 -20.128 -18.393 16 HA3 GLY 4 2HA GLY 4 -27.983 -18.881 -18.418 17 H SER 5 H SER 5 -27.564 -16.928 -17.436 18 HA SER 5 HA SER 5 -25.327 -16.919 -15.567 19 HB2 SER 5 1HB SER 5 -24.591 -14.768 -16.489 20 HB3 SER 5 2HB SER 5 -24.639 -15.974 -17.759 21 HG SER 5 HG SER 5 -26.320 -14.975 -18.729 22 H SER 6 H SER 6 -25.430 -15.174 -13.918 23 HA SER 6 HA SER 6 -27.752 -13.576 -13.788 24 HB2 SER 6 1HB SER 6 -28.421 -16.003 -12.990 25 HB3 SER 6 2HB SER 6 -27.545 -15.584 -11.530 26 HG SER 6 HG SER 6 -29.869 -14.284 -12.646 27 H GLY 7 H GLY 7 -26.572 -11.746 -13.274 28 HA2 GLY 7 1HA GLY 7 -25.511 -11.430 -10.681 29 HA3 GLY 7 2HA GLY 7 -24.197 -11.710 -11.806 30 H MET 8 H MET 8 -23.371 -9.556 -11.598 31 HA MET 8 HA MET 8 -24.960 -7.653 -13.108 32 HB2 MET 8 1HB MET 8 -23.678 -7.268 -10.359 33 HB3 MET 8 2HB MET 8 -24.009 -5.892 -11.391 34 HG2 MET 8 1HG MET 8 -26.329 -6.112 -11.191 35 HG3 MET 8 2HG MET 8 -26.258 -7.848 -10.967 36 HE1 MET 8 1HE MET 8 -26.486 -8.359 -7.356 37 HE2 MET 8 2HE MET 8 -27.597 -8.291 -8.745 38 HE3 MET 8 3HE MET 8 -26.001 -9.060 -8.918 39 H SER 9 H SER 9 -21.769 -8.154 -11.427 40 HA SER 9 HA SER 9 -20.546 -7.066 -13.843 41 HB2 SER 9 1HB SER 9 -20.362 -5.939 -11.379 42 HB3 SER 9 2HB SER 9 -19.025 -7.066 -11.257 43 HG SER 9 HG SER 9 -19.397 -4.932 -13.161 44 H GLN 10 H GLN 10 -18.443 -8.052 -14.466 45 HA GLN 10 HA GLN 10 -18.120 -10.702 -13.294 46 HB2 GLN 10 1HB GLN 10 -19.167 -10.390 -15.754 47 HB3 GLN 10 2HB GLN 10 -17.476 -10.272 -16.201 48 HG2 GLN 10 1HG GLN 10 -17.111 -12.446 -14.843 49 HG3 GLN 10 2HG GLN 10 -18.856 -12.589 -14.782 50 HE21 GLN 10 1HE2 GLN 10 -19.552 -14.002 -16.179 51 HE22 GLN 10 2HE2 GLN 10 -19.019 -14.223 -17.812 52 H LEU 11 H LEU 11 -16.298 -10.325 -12.037 53 HA LEU 11 HA LEU 11 -13.874 -9.760 -13.508 54 HB2 LEU 11 1HB LEU 11 -14.639 -8.066 -11.129 55 HB3 LEU 11 2HB LEU 11 -13.153 -7.976 -12.055 56 HG LEU 11 HG LEU 11 -15.881 -7.422 -13.244 57 HD11 LEU 11 1HD1 LEU 11 -15.869 -5.295 -12.535 58 HD12 LEU 11 2HD1 LEU 11 -14.766 -5.896 -11.274 59 HD13 LEU 11 3HD1 LEU 11 -14.109 -5.126 -12.738 60 HD21 LEU 11 1HD2 LEU 11 -14.831 -6.768 -15.164 61 HD22 LEU 11 2HD2 LEU 11 -13.324 -6.322 -14.329 62 HD23 LEU 11 3HD2 LEU 11 -13.706 -8.036 -14.622 63 H GLY 12 H GLY 12 -15.163 -10.007 -10.114 64 HA2 GLY 12 1HA GLY 12 -14.358 -11.179 -8.352 65 HA3 GLY 12 2HA GLY 12 -14.440 -12.520 -9.477 66 H SER 13 H SER 13 -12.323 -10.018 -8.047 67 HA SER 13 HA SER 13 -10.031 -10.518 -9.425 68 HB2 SER 13 1HB SER 13 -10.165 -9.956 -6.433 69 HB3 SER 13 2HB SER 13 -8.858 -9.542 -7.524 70 HG SER 13 HG SER 13 -10.842 -7.965 -6.866 71 H ARG 14 H ARG 14 -7.956 -11.577 -8.301 72 HA ARG 14 HA ARG 14 -8.832 -14.216 -7.448 73 HB2 ARG 14 1HB ARG 14 -6.280 -13.313 -8.872 74 HB3 ARG 14 2HB ARG 14 -6.521 -14.944 -8.279 75 HG2 ARG 14 1HG ARG 14 -8.870 -14.432 -9.735 76 HG3 ARG 14 2HG ARG 14 -7.626 -13.647 -10.688 77 HD2 ARG 14 1HD ARG 14 -6.742 -15.640 -11.368 78 HD3 ARG 14 2HD ARG 14 -6.735 -16.287 -9.739 79 HE ARG 14 HE ARG 14 -8.743 -16.773 -11.764 80 HH11 ARG 14 2HH2 ARG 14 -8.334 -16.389 -8.290 81 HH12 ARG 14 1HH2 ARG 14 -9.726 -17.339 -7.892 82 HH21 ARG 14 2HH1 ARG 14 -10.581 -18.026 -11.239 83 HH22 ARG 14 1HH1 ARG 14 -11.013 -18.276 -9.581 84 H GLY 15 H GLY 15 -7.977 -11.438 -6.054 85 HA2 GLY 15 1HA GLY 15 -7.002 -12.574 -3.677 86 HA3 GLY 15 2HA GLY 15 -5.645 -11.918 -4.572 87 H ARG 16 H ARG 16 -5.660 -10.514 -2.488 88 HA ARG 16 HA ARG 16 -7.141 -8.125 -3.170 89 HB2 ARG 16 1HB ARG 16 -7.933 -9.750 -1.047 90 HB3 ARG 16 2HB ARG 16 -6.892 -8.593 -0.242 91 HG2 ARG 16 1HG ARG 16 -8.304 -6.804 -0.665 92 HG3 ARG 16 2HG ARG 16 -8.824 -7.436 -2.215 93 HD2 ARG 16 1HD ARG 16 -9.674 -9.139 0.055 94 HD3 ARG 16 2HD ARG 16 -10.308 -7.509 0.158 95 HE ARG 16 HE ARG 16 -10.654 -8.399 -2.528 96 HH11 ARG 16 2HH2 ARG 16 -11.856 -9.134 0.696 97 HH12 ARG 16 1HH2 ARG 16 -13.389 -9.710 0.133 98 HH21 ARG 16 2HH1 ARG 16 -12.677 -9.158 -3.273 99 HH22 ARG 16 1HH1 ARG 16 -13.859 -9.724 -2.140 100 H LEU 17 H LEU 17 -6.002 -6.172 -2.662 101 HA LEU 17 HA LEU 17 -3.194 -6.589 -2.117 102 HB2 LEU 17 1HB LEU 17 -4.838 -4.230 -3.016 103 HB3 LEU 17 2HB LEU 17 -3.144 -4.087 -2.591 104 HG LEU 17 HG LEU 17 -3.931 -6.152 -4.613 105 HD11 LEU 17 1HD1 LEU 17 -3.672 -3.201 -5.257 106 HD12 LEU 17 2HD1 LEU 17 -3.848 -4.530 -6.428 107 HD13 LEU 17 3HD1 LEU 17 -5.175 -4.153 -5.304 108 HD21 LEU 17 1HD2 LEU 17 -1.740 -5.641 -5.542 109 HD22 LEU 17 2HD2 LEU 17 -1.523 -4.328 -4.360 110 HD23 LEU 17 3HD2 LEU 17 -1.615 -6.018 -3.807 111 H TRP 18 H TRP 18 -2.025 -5.443 -0.434 112 HA TRP 18 HA TRP 18 -3.437 -4.020 1.569 113 HB2 TRP 18 1HB TRP 18 -2.987 -5.678 3.401 114 HB3 TRP 18 2HB TRP 18 -4.324 -6.046 2.329 115 HD1 TRP 18 HD TRP 18 -3.901 -8.133 0.550 116 HE1 TRP 18 1HE TRP 18 -2.357 -10.272 0.612 117 HE3 TRP 18 3HE TRP 18 -0.791 -6.427 4.193 118 HZ2 TRP 18 2HZ TRP 18 -0.060 -10.995 2.144 119 HZ3 TRP 18 3HZ TRP 18 1.077 -7.912 4.914 120 HH2 TRP 18 HH TRP 18 1.468 -10.124 3.952 121 H LEU 19 H LEU 19 -1.866 -3.346 3.314 122 HA LEU 19 HA LEU 19 0.857 -3.420 2.226 123 HB2 LEU 19 1HB LEU 19 -0.326 -1.394 4.122 124 HB3 LEU 19 2HB LEU 19 1.222 -1.315 3.304 125 HG LEU 19 HG LEU 19 -1.378 -1.380 1.769 126 HD11 LEU 19 1HD1 LEU 19 -1.466 0.487 3.381 127 HD12 LEU 19 2HD1 LEU 19 0.069 1.106 2.724 128 HD13 LEU 19 3HD1 LEU 19 -1.380 1.040 1.691 129 HD21 LEU 19 1HD2 LEU 19 0.306 -1.785 0.253 130 HD22 LEU 19 2HD2 LEU 19 0.196 -0.009 0.187 131 HD23 LEU 19 3HD2 LEU 19 1.491 -0.787 1.130 132 H GLN 20 H GLN 20 2.426 -4.457 3.350 133 HA GLN 20 HA GLN 20 1.632 -5.512 5.923 134 HB2 GLN 20 1HB GLN 20 2.592 -6.958 4.024 135 HB3 GLN 20 2HB GLN 20 4.137 -6.189 4.331 136 HG2 GLN 20 1HG GLN 20 4.059 -6.962 6.705 137 HG3 GLN 20 2HG GLN 20 2.502 -7.713 6.416 138 HE21 GLN 20 1HE2 GLN 20 2.536 -9.782 6.029 139 HE22 GLN 20 2HE2 GLN 20 3.817 -10.702 5.313 140 H SER 21 H SER 21 1.977 -3.957 7.501 141 HA SER 21 HA SER 21 4.099 -2.147 7.357 142 HB2 SER 21 1HB SER 21 3.307 -2.339 10.066 143 HB3 SER 21 2HB SER 21 2.749 -1.175 8.882 144 HG SER 21 HG SER 21 0.856 -2.177 8.755 145 HA PRO 22 HA PRO 22 7.277 -4.516 9.157 146 HB2 PRO 22 1HB PRO 22 8.943 -2.559 10.086 147 HB3 PRO 22 2HB PRO 22 8.894 -3.059 8.407 148 HG2 PRO 22 1HG PRO 22 7.797 -0.609 9.644 149 HG3 PRO 22 2HG PRO 22 8.136 -0.928 7.955 150 HD2 PRO 22 1HD PRO 22 5.561 -0.929 9.218 151 HD3 PRO 22 2HD PRO 22 5.914 -1.362 7.557 152 H THR 23 H THR 23 8.386 -5.230 11.110 153 HA THR 23 HA THR 23 6.717 -5.623 13.184 154 HB THR 23 HB THR 23 8.990 -6.648 12.815 155 HG1 THR 23 1HG THR 23 8.656 -5.202 15.347 156 HG21 THR 23 1HG2 THR 23 10.439 -4.745 12.393 157 HG22 THR 23 2HG2 THR 23 9.873 -3.914 13.862 158 HG23 THR 23 3HG2 THR 23 10.894 -5.366 13.998 159 H GLY 24 H GLY 24 6.634 -4.768 15.418 160 HA2 GLY 24 1HA GLY 24 6.109 -3.079 16.805 161 HA3 GLY 24 2HA GLY 24 7.554 -2.290 16.204 162 H GLY 25 H GLY 25 4.554 -3.166 14.378 163 HA2 GLY 25 1HA GLY 25 3.870 -0.315 14.182 164 HA3 GLY 25 2HA GLY 25 4.180 -1.215 12.710 165 HA PRO 26 HA PRO 26 -0.205 -1.817 13.814 166 HB2 PRO 26 1HB PRO 26 -1.334 -0.732 11.574 167 HB3 PRO 26 2HB PRO 26 -1.106 0.164 13.062 168 HG2 PRO 26 1HG PRO 26 0.425 0.342 10.540 169 HG3 PRO 26 2HG PRO 26 0.349 1.490 11.861 170 HD2 PRO 26 1HD PRO 26 2.488 -0.334 11.292 171 HD3 PRO 26 2HD PRO 26 2.360 0.732 12.677 172 HA PRO 27 HA PRO 27 -0.836 -5.284 11.444 173 HB2 PRO 27 1HB PRO 27 -3.540 -5.480 11.097 174 HB3 PRO 27 2HB PRO 27 -2.729 -5.937 12.581 175 HG2 PRO 27 1HG PRO 27 -4.353 -3.531 12.022 176 HG3 PRO 27 2HG PRO 27 -3.900 -4.214 13.571 177 HD2 PRO 27 1HD PRO 27 -2.751 -1.908 12.310 178 HD3 PRO 27 2HD PRO 27 -2.222 -2.660 13.802 179 HA PRO 28 HA PRO 28 -1.177 -4.660 7.257 180 HB2 PRO 28 1HB PRO 28 -2.214 -6.972 6.232 181 HB3 PRO 28 2HB PRO 28 -0.535 -6.801 6.704 182 HG2 PRO 28 1HG PRO 28 -2.717 -8.223 8.102 183 HG3 PRO 28 2HG PRO 28 -0.986 -8.389 8.315 184 HD2 PRO 28 1HD PRO 28 -2.801 -6.991 10.040 185 HD3 PRO 28 2HD PRO 28 -1.056 -7.059 10.189 186 H ILE 29 H ILE 29 -2.367 -3.042 6.476 187 HA ILE 29 HA ILE 29 -5.230 -3.301 6.785 188 HB ILE 29 HB ILE 29 -3.450 -1.089 5.763 189 HG12 ILE 29 1HG1 ILE 29 -4.936 -0.334 8.049 190 HG13 ILE 29 2HG1 ILE 29 -4.288 -1.924 8.397 191 HG21 ILE 29 1HG2 ILE 29 -6.446 -1.321 5.884 192 HG22 ILE 29 2HG2 ILE 29 -5.643 0.258 6.061 193 HG23 ILE 29 3HG2 ILE 29 -5.407 -0.700 4.579 194 HD11 ILE 29 1HD1 ILE 29 -2.010 -1.129 7.685 195 HD12 ILE 29 2HD1 ILE 29 -2.692 0.498 7.444 196 HD13 ILE 29 3HD1 ILE 29 -2.660 -0.221 9.072 197 H PHE 30 H PHE 30 -6.739 -3.429 5.081 198 HA PHE 30 HA PHE 30 -5.536 -4.359 2.578 199 HB2 PHE 30 1HB PHE 30 -8.160 -4.797 4.096 200 HB3 PHE 30 2HB PHE 30 -8.057 -5.210 2.395 201 HD1 PHE 30 2HD PHE 30 -6.300 -5.849 5.623 202 HD2 PHE 30 1HD PHE 30 -7.362 -7.335 1.793 203 HE1 PHE 30 2HE PHE 30 -5.335 -8.086 6.224 204 HE2 PHE 30 1HE PHE 30 -6.396 -9.573 2.394 205 HZ PHE 30 HZ PHE 30 -5.394 -9.921 4.602 206 H LEU 31 H LEU 31 -5.388 -2.685 1.136 207 HA LEU 31 HA LEU 31 -6.940 -0.398 1.203 208 HB2 LEU 31 1HB LEU 31 -5.841 -1.429 -1.374 209 HB3 LEU 31 2HB LEU 31 -5.874 0.205 -0.742 210 HG LEU 31 HG LEU 31 -3.984 -2.041 -0.066 211 HD11 LEU 31 1HD1 LEU 31 -2.412 0.067 -0.381 212 HD12 LEU 31 2HD1 LEU 31 -3.019 -0.867 -1.770 213 HD13 LEU 31 3HD1 LEU 31 -3.803 0.666 -1.316 214 HD21 LEU 31 1HD2 LEU 31 -4.857 0.182 1.698 215 HD22 LEU 31 2HD2 LEU 31 -4.209 -1.427 2.099 216 HD23 LEU 31 3HD2 LEU 31 -3.106 -0.123 1.597 217 HA PRO 32 HA PRO 32 -10.662 -1.491 -0.686 218 HB2 PRO 32 1HB PRO 32 -11.354 0.752 -2.086 219 HB3 PRO 32 2HB PRO 32 -11.566 0.600 -0.353 220 HG2 PRO 32 1HG PRO 32 -9.526 2.135 -1.842 221 HG3 PRO 32 2HG PRO 32 -10.019 2.300 -0.169 222 HD2 PRO 32 1HD PRO 32 -7.630 1.042 -1.138 223 HD3 PRO 32 2HD PRO 32 -8.180 1.106 0.524 224 H SER 33 H SER 33 -11.863 -2.164 -2.562 225 HA SER 33 HA SER 33 -9.954 -2.572 -4.717 226 HB2 SER 33 1HB SER 33 -11.408 -4.467 -5.388 227 HB3 SER 33 2HB SER 33 -10.859 -4.633 -3.732 228 HG SER 33 HG SER 33 -13.337 -4.817 -4.493 229 H ASP 34 H ASP 34 -13.183 -1.319 -3.842 230 HA ASP 34 HA ASP 34 -14.432 -1.080 -6.166 231 HB2 ASP 34 1HB ASP 34 -15.439 -0.189 -4.174 232 HB3 ASP 34 2HB ASP 34 -14.110 0.919 -3.899 233 H GLY 35 H GLY 35 -11.473 0.574 -5.108 234 HA2 GLY 35 1HA GLY 35 -10.027 1.280 -6.960 235 HA3 GLY 35 2HA GLY 35 -11.420 2.087 -7.652 236 H GLN 36 H GLN 36 -11.860 2.409 -4.361 237 HA GLN 36 HA GLN 36 -11.418 5.109 -4.360 238 HB2 GLN 36 1HB GLN 36 -11.879 3.013 -2.265 239 HB3 GLN 36 2HB GLN 36 -11.294 4.566 -1.705 240 HG2 GLN 36 1HG GLN 36 -13.174 5.732 -2.764 241 HG3 GLN 36 2HG GLN 36 -13.704 4.260 -3.553 242 HE21 GLN 36 1HE2 GLN 36 -15.331 3.277 -2.651 243 HE22 GLN 36 2HE2 GLN 36 -15.768 3.277 -0.975 244 H ALA 37 H ALA 37 -9.913 6.143 -2.460 245 HA ALA 37 HA ALA 37 -7.242 4.963 -2.801 246 HB1 ALA 37 1HB ALA 37 -6.353 6.996 -3.431 247 HB2 ALA 37 2HB ALA 37 -7.986 7.171 -4.118 248 HB3 ALA 37 3HB ALA 37 -7.591 7.932 -2.558 249 H LEU 38 H LEU 38 -6.227 4.526 -0.903 250 HA LEU 38 HA LEU 38 -7.499 5.534 1.516 251 HB2 LEU 38 1HB LEU 38 -6.893 3.057 0.940 252 HB3 LEU 38 2HB LEU 38 -5.280 3.523 1.441 253 HG LEU 38 HG LEU 38 -6.022 4.052 3.661 254 HD11 LEU 38 1HD1 LEU 38 -8.074 5.113 3.480 255 HD12 LEU 38 2HD1 LEU 38 -8.780 3.812 2.490 256 HD13 LEU 38 3HD1 LEU 38 -8.504 3.556 4.229 257 HD21 LEU 38 1HD2 LEU 38 -6.712 1.418 2.482 258 HD22 LEU 38 2HD2 LEU 38 -5.587 1.838 3.795 259 HD23 LEU 38 3HD2 LEU 38 -7.336 1.750 4.116 260 H VAL 39 H VAL 39 -6.796 7.540 2.076 261 HA VAL 39 HA VAL 39 -4.164 8.408 1.424 262 HB VAL 39 HB VAL 39 -6.601 9.492 2.721 263 HG11 VAL 39 1HG1 VAL 39 -5.123 11.588 3.288 264 HG12 VAL 39 2HG1 VAL 39 -5.258 10.246 4.450 265 HG13 VAL 39 3HG1 VAL 39 -3.816 10.386 3.415 266 HG21 VAL 39 1HG2 VAL 39 -5.150 11.388 1.154 267 HG22 VAL 39 2HG2 VAL 39 -5.129 9.830 0.294 268 HG23 VAL 39 3HG2 VAL 39 -6.680 10.564 0.769 269 H LEU 40 H LEU 40 -2.317 8.035 2.532 270 HA LEU 40 HA LEU 40 -2.616 7.009 5.260 271 HB2 LEU 40 1HB LEU 40 -0.568 6.615 3.101 272 HB3 LEU 40 2HB LEU 40 -0.160 6.327 4.781 273 HG LEU 40 HG LEU 40 -2.187 4.878 3.077 274 HD11 LEU 40 1HD1 LEU 40 0.318 4.291 3.134 275 HD12 LEU 40 2HD1 LEU 40 -0.006 3.673 4.771 276 HD13 LEU 40 3HD1 LEU 40 -0.862 2.981 3.372 277 HD21 LEU 40 1HD2 LEU 40 -3.455 5.023 4.993 278 HD22 LEU 40 2HD2 LEU 40 -2.527 3.535 5.297 279 HD23 LEU 40 3HD2 LEU 40 -2.035 5.062 6.066 280 H GLY 41 H GLY 41 -0.604 7.601 6.695 281 HA2 GLY 41 1HA GLY 41 1.070 9.622 6.546 282 HA3 GLY 41 2HA GLY 41 -0.432 10.521 6.632 283 H ARG 42 H ARG 42 -0.180 11.417 8.702 284 HA ARG 42 HA ARG 42 0.695 9.851 10.853 285 HB2 ARG 42 1HB ARG 42 -0.047 12.626 10.343 286 HB3 ARG 42 2HB ARG 42 -0.784 12.097 11.842 287 HG2 ARG 42 1HG ARG 42 1.604 11.108 12.387 288 HG3 ARG 42 2HG ARG 42 2.162 12.181 11.119 289 HD2 ARG 42 1HD ARG 42 2.371 13.503 13.078 290 HD3 ARG 42 2HD ARG 42 0.864 14.063 12.380 291 HE ARG 42 HE ARG 42 0.460 11.842 14.228 292 HH11 ARG 42 2HH2 ARG 42 0.897 15.327 14.018 293 HH12 ARG 42 1HH2 ARG 42 0.098 15.646 15.522 294 HH21 ARG 42 2HH1 ARG 42 -0.594 12.262 16.212 295 HH22 ARG 42 1HH1 ARG 42 -0.756 13.891 16.778 296 H GLY 43 H GLY 43 -0.510 8.853 12.545 297 HA2 GLY 43 1HA GLY 43 -2.845 8.973 13.571 298 HA3 GLY 43 2HA GLY 43 -3.384 8.530 11.964 299 HA PRO 44 HA PRO 44 -2.403 4.701 14.272 300 HB2 PRO 44 1HB PRO 44 -4.910 3.617 14.379 301 HB3 PRO 44 2HB PRO 44 -4.211 4.546 15.690 302 HG2 PRO 44 1HG PRO 44 -6.286 5.355 13.746 303 HG3 PRO 44 2HG PRO 44 -5.884 6.082 15.289 304 HD2 PRO 44 1HD PRO 44 -5.178 7.070 12.690 305 HD3 PRO 44 2HD PRO 44 -4.679 7.732 14.235 306 H LEU 45 H LEU 45 -3.303 5.674 11.312 307 HA LEU 45 HA LEU 45 -3.996 3.266 10.082 308 HB2 LEU 45 1HB LEU 45 -2.817 5.859 9.127 309 HB3 LEU 45 2HB LEU 45 -3.042 4.512 8.028 310 HG LEU 45 HG LEU 45 -5.513 4.547 8.947 311 HD11 LEU 45 1HD1 LEU 45 -5.068 6.226 10.695 312 HD12 LEU 45 2HD1 LEU 45 -4.667 7.416 9.435 313 HD13 LEU 45 3HD1 LEU 45 -6.316 6.757 9.543 314 HD21 LEU 45 1HD2 LEU 45 -4.775 4.944 6.614 315 HD22 LEU 45 2HD2 LEU 45 -6.167 5.944 7.092 316 HD23 LEU 45 3HD2 LEU 45 -4.542 6.664 7.008 317 H THR 46 H THR 46 -0.781 4.967 10.169 318 HA THR 46 HA THR 46 0.443 2.305 9.845 319 HB THR 46 HB THR 46 2.269 3.573 8.651 320 HG1 THR 46 1HG THR 46 1.100 5.571 9.940 321 HG21 THR 46 1HG2 THR 46 0.389 2.698 7.245 322 HG22 THR 46 2HG2 THR 46 -0.539 4.179 7.581 323 HG23 THR 46 3HG2 THR 46 0.967 4.267 6.636 324 H GLN 47 H GLN 47 -0.379 4.275 12.219 325 HA GLN 47 HA GLN 47 0.370 4.629 14.226 326 HB2 GLN 47 1HB GLN 47 2.499 2.616 13.408 327 HB3 GLN 47 2HB GLN 47 2.449 3.312 15.015 328 HG2 GLN 47 1HG GLN 47 -0.206 2.360 14.186 329 HG3 GLN 47 2HG GLN 47 0.984 1.077 14.098 330 HE21 GLN 47 1HE2 GLN 47 -1.063 0.932 15.869 331 HE22 GLN 47 2HE2 GLN 47 -0.502 1.102 17.499 332 H VAL 48 H VAL 48 1.334 6.167 11.764 333 HA VAL 48 HA VAL 48 3.939 7.102 12.606 334 HB VAL 48 HB VAL 48 2.095 7.698 10.297 335 HG11 VAL 48 1HG1 VAL 48 4.723 9.046 10.997 336 HG12 VAL 48 2HG1 VAL 48 3.936 9.139 9.402 337 HG13 VAL 48 3HG1 VAL 48 3.123 9.810 10.837 338 HG21 VAL 48 1HG2 VAL 48 3.762 6.635 8.949 339 HG22 VAL 48 2HG2 VAL 48 4.914 6.580 10.305 340 HG23 VAL 48 3HG2 VAL 48 3.449 5.569 10.340 341 H THR 49 H THR 49 4.295 8.838 13.904 342 HA THR 49 HA THR 49 2.041 10.690 14.294 343 HB THR 49 HB THR 49 2.805 10.737 16.732 344 HG1 THR 49 1HG THR 49 4.676 9.600 17.043 345 HG21 THR 49 1HG2 THR 49 1.003 9.038 15.693 346 HG22 THR 49 2HG2 THR 49 2.267 7.837 16.053 347 HG23 THR 49 3HG2 THR 49 1.582 8.828 17.363 348 H ASP 50 H ASP 50 4.671 10.557 12.628 349 HA ASP 50 HA ASP 50 6.292 12.524 13.825 350 HB2 ASP 50 1HB ASP 50 6.828 10.726 11.970 351 HB3 ASP 50 2HB ASP 50 6.198 11.918 10.850 352 H ARG 51 H ARG 51 6.228 14.797 13.499 353 HA ARG 51 HA ARG 51 3.843 15.883 12.612 354 HB2 ARG 51 1HB ARG 51 6.585 17.148 13.093 355 HB3 ARG 51 2HB ARG 51 5.145 18.092 12.767 356 HG2 ARG 51 1HG ARG 51 4.068 17.360 14.789 357 HG3 ARG 51 2HG ARG 51 5.202 16.043 15.015 358 HD2 ARG 51 1HD ARG 51 6.153 17.542 16.501 359 HD3 ARG 51 2HD ARG 51 6.984 18.079 15.055 360 HE ARG 51 HE ARG 51 4.833 19.499 16.472 361 HH11 ARG 51 2HH2 ARG 51 6.657 19.218 13.476 362 HH12 ARG 51 1HH2 ARG 51 6.292 20.828 12.953 363 HH21 ARG 51 2HH1 ARG 51 4.352 21.625 15.783 364 HH22 ARG 51 1HH1 ARG 51 4.973 22.207 14.275 365 H LYS 52 H LYS 52 7.076 15.465 11.080 366 HA LYS 52 HA LYS 52 6.751 17.062 8.870 367 HB2 LYS 52 1HB LYS 52 8.286 14.509 9.354 368 HB3 LYS 52 2HB LYS 52 8.329 15.315 7.799 369 HG2 LYS 52 1HG LYS 52 8.746 17.094 10.166 370 HG3 LYS 52 2HG LYS 52 10.011 15.914 9.889 371 HD2 LYS 52 1HD LYS 52 9.484 16.915 7.315 372 HD3 LYS 52 2HD LYS 52 9.337 18.331 8.337 373 HE2 LYS 52 1HE LYS 52 11.645 16.865 9.242 374 HE3 LYS 52 2HE LYS 52 11.745 16.963 7.495 375 HZ1 LYS 52 1HZ LYS 52 12.674 18.874 8.781 376 HZ2 LYS 52 2HZ LYS 52 11.639 19.276 7.584 377 HZ3 LYS 52 3HZ LYS 52 11.143 19.312 9.139 378 H CYS 53 H CYS 53 5.296 13.924 9.667 379 HA CYS 53 HA CYS 53 4.473 13.347 7.028 380 HB2 CYS 53 1HB CYS 53 4.454 12.024 9.523 381 HB3 CYS 53 2HB CYS 53 2.773 12.142 9.043 382 HG CYS 53 HG CYS 53 2.865 10.264 7.612 383 H SER 54 H SER 54 1.871 13.008 6.766 384 HA SER 54 HA SER 54 0.415 15.126 8.024 385 HB2 SER 54 1HB SER 54 1.695 15.794 5.684 386 HB3 SER 54 2HB SER 54 0.167 15.212 5.054 387 HG SER 54 HG SER 54 -0.057 16.930 7.280 388 H ARG 55 H ARG 55 -1.755 14.541 8.226 389 HA ARG 55 HA ARG 55 -2.578 12.061 8.013 390 HB2 ARG 55 1HB ARG 55 -3.895 14.688 8.078 391 HB3 ARG 55 2HB ARG 55 -4.886 13.518 7.229 392 HG2 ARG 55 1HG ARG 55 -4.098 12.002 9.379 393 HG3 ARG 55 2HG ARG 55 -4.083 13.595 10.110 394 HD2 ARG 55 1HD ARG 55 -6.374 13.807 10.016 395 HD3 ARG 55 2HD ARG 55 -6.483 13.072 8.430 396 HE ARG 55 HE ARG 55 -6.723 10.945 9.429 397 HH11 ARG 55 2HH2 ARG 55 -5.831 13.337 11.852 398 HH12 ARG 55 1HH2 ARG 55 -6.155 12.287 13.191 399 HH21 ARG 55 2HH1 ARG 55 -7.150 9.560 11.196 400 HH22 ARG 55 1HH1 ARG 55 -6.910 10.125 12.816 401 H ASN 56 H ASN 56 -2.372 14.422 5.337 402 HA ASN 56 HA ASN 56 -3.292 12.306 3.553 403 HB2 ASN 56 1HB ASN 56 -3.650 15.315 3.509 404 HB3 ASN 56 2HB ASN 56 -3.585 14.468 1.976 405 HD21 ASN 56 1HD2 ASN 56 -5.115 14.332 5.180 406 HD22 ASN 56 2HD2 ASN 56 -6.669 13.768 4.663 407 H GLN 57 H GLN 57 -0.693 12.035 4.231 408 HA GLN 57 HA GLN 57 1.095 13.735 2.949 409 HB2 GLN 57 1HB GLN 57 1.856 12.328 4.759 410 HB3 GLN 57 2HB GLN 57 1.323 10.870 3.947 411 HG2 GLN 57 1HG GLN 57 3.715 10.995 3.641 412 HG3 GLN 57 2HG GLN 57 2.991 11.372 2.090 413 HE21 GLN 57 1HE2 GLN 57 5.033 12.363 1.622 414 HE22 GLN 57 2HE2 GLN 57 5.367 13.988 2.120 415 H VAL 58 H VAL 58 -0.243 10.490 2.018 416 HA VAL 58 HA VAL 58 0.188 11.234 -0.766 417 HB VAL 58 HB VAL 58 1.050 8.868 -1.137 418 HG11 VAL 58 1HG1 VAL 58 2.583 11.130 0.109 419 HG12 VAL 58 2HG1 VAL 58 3.416 9.594 -0.232 420 HG13 VAL 58 3HG1 VAL 58 2.634 10.496 -1.554 421 HG21 VAL 58 1HG2 VAL 58 2.424 8.111 0.962 422 HG22 VAL 58 2HG2 VAL 58 1.202 9.042 1.862 423 HG23 VAL 58 3HG2 VAL 58 0.702 7.684 0.826 424 H GLU 59 H GLU 59 -0.945 9.507 -2.222 425 HA GLU 59 HA GLU 59 -3.323 8.608 -0.791 426 HB2 GLU 59 1HB GLU 59 -3.716 10.627 -2.259 427 HB3 GLU 59 2HB GLU 59 -3.226 9.676 -3.647 428 HG2 GLU 59 1HG GLU 59 -5.230 8.588 -3.753 429 HG3 GLU 59 2HG GLU 59 -5.253 8.278 -2.029 430 H LEU 60 H LEU 60 -3.286 6.404 -0.713 431 HA LEU 60 HA LEU 60 -1.939 4.987 -2.868 432 HB2 LEU 60 1HB LEU 60 -2.744 4.352 -0.060 433 HB3 LEU 60 2HB LEU 60 -2.535 3.038 -1.201 434 HG LEU 60 HG LEU 60 -0.239 4.601 -1.535 435 HD11 LEU 60 1HD1 LEU 60 -1.226 4.731 1.273 436 HD12 LEU 60 2HD1 LEU 60 0.508 4.423 1.015 437 HD13 LEU 60 3HD1 LEU 60 -0.246 5.887 0.340 438 HD21 LEU 60 1HD2 LEU 60 -0.486 2.119 -1.594 439 HD22 LEU 60 2HD2 LEU 60 0.927 2.690 -0.675 440 HD23 LEU 60 3HD2 LEU 60 -0.525 2.125 0.186 441 H ILE 61 H ILE 61 -2.963 3.451 -4.200 442 HA ILE 61 HA ILE 61 -5.845 3.180 -3.869 443 HB ILE 61 HB ILE 61 -4.466 4.274 -6.316 444 HG12 ILE 61 1HG1 ILE 61 -6.817 5.356 -4.741 445 HG13 ILE 61 2HG1 ILE 61 -5.156 5.839 -4.464 446 HG21 ILE 61 1HG2 ILE 61 -6.888 2.626 -6.105 447 HG22 ILE 61 2HG2 ILE 61 -7.130 4.171 -6.955 448 HG23 ILE 61 3HG2 ILE 61 -5.885 3.031 -7.519 449 HD11 ILE 61 1HD1 ILE 61 -5.222 7.269 -6.217 450 HD12 ILE 61 2HD1 ILE 61 -5.731 5.963 -7.313 451 HD13 ILE 61 3HD1 ILE 61 -6.950 6.886 -6.402 452 H ALA 62 H ALA 62 -6.303 1.052 -3.870 453 HA ALA 62 HA ALA 62 -4.320 -0.816 -4.711 454 HB1 ALA 62 1HB ALA 62 -6.889 -2.027 -4.282 455 HB2 ALA 62 2HB ALA 62 -5.457 -2.056 -3.226 456 HB3 ALA 62 3HB ALA 62 -6.657 -0.752 -3.062 457 H ASP 63 H ASP 63 -4.009 -1.605 -6.731 458 HA ASP 63 HA ASP 63 -6.267 -1.326 -8.557 459 HB2 ASP 63 1HB ASP 63 -3.902 -0.052 -8.841 460 HB3 ASP 63 2HB ASP 63 -3.431 -1.583 -9.552 461 HA PRO 64 HA PRO 64 -5.353 -5.746 -8.244 462 HB2 PRO 64 1HB PRO 64 -7.934 -6.630 -8.394 463 HB3 PRO 64 2HB PRO 64 -7.128 -6.280 -6.878 464 HG2 PRO 64 1HG PRO 64 -9.183 -4.695 -8.294 465 HG3 PRO 64 2HG PRO 64 -8.683 -4.597 -6.618 466 HD2 PRO 64 1HD PRO 64 -7.970 -2.792 -8.730 467 HD3 PRO 64 2HD PRO 64 -7.379 -2.761 -7.081 468 H GLU 65 H GLU 65 -6.223 -3.721 -10.614 469 HA GLU 65 HA GLU 65 -7.087 -5.573 -12.531 470 HB2 GLU 65 1HB GLU 65 -6.383 -2.713 -12.410 471 HB3 GLU 65 2HB GLU 65 -5.933 -3.445 -13.938 472 HG2 GLU 65 1HG GLU 65 -8.261 -4.366 -14.166 473 HG3 GLU 65 2HG GLU 65 -8.704 -3.590 -12.658 474 H SER 66 H SER 66 -3.889 -4.277 -11.534 475 HA SER 66 HA SER 66 -2.701 -6.429 -13.060 476 HB2 SER 66 1HB SER 66 -1.973 -3.486 -13.293 477 HB3 SER 66 2HB SER 66 -0.829 -4.747 -13.708 478 HG SER 66 HG SER 66 -3.269 -4.014 -14.998 479 H ARG 67 H ARG 67 -3.324 -5.839 -10.172 480 HA ARG 67 HA ARG 67 -2.411 -5.897 -8.211 481 HB2 ARG 67 1HB ARG 67 -0.168 -7.255 -9.781 482 HB3 ARG 67 2HB ARG 67 -0.182 -7.189 -8.030 483 HG2 ARG 67 1HG ARG 67 -1.407 -9.105 -8.110 484 HG3 ARG 67 2HG ARG 67 -2.755 -8.092 -8.589 485 HD2 ARG 67 1HD ARG 67 -2.825 -9.343 -10.495 486 HD3 ARG 67 2HD ARG 67 -1.413 -8.440 -11.006 487 HE ARG 67 HE ARG 67 -0.555 -10.595 -9.322 488 HH11 ARG 67 2HH2 ARG 67 -1.912 -10.036 -12.521 489 HH12 ARG 67 1HH2 ARG 67 -1.210 -11.463 -13.207 490 HH21 ARG 67 2HH1 ARG 67 0.370 -12.478 -10.228 491 HH22 ARG 67 1HH1 ARG 67 0.096 -12.861 -11.894 492 H THR 68 H THR 68 -2.151 -3.376 -9.319 493 HA THR 68 HA THR 68 0.556 -2.571 -8.474 494 HB THR 68 HB THR 68 -0.006 -0.614 -10.171 495 HG1 THR 68 1HG THR 68 -1.588 -2.885 -11.129 496 HG21 THR 68 1HG2 THR 68 0.503 -3.473 -11.151 497 HG22 THR 68 2HG2 THR 68 0.740 -2.006 -12.130 498 HG23 THR 68 3HG2 THR 68 1.753 -2.291 -10.695 499 H VAL 69 H VAL 69 0.486 -0.036 -7.999 500 HA VAL 69 HA VAL 69 -1.973 0.778 -6.760 501 HB VAL 69 HB VAL 69 0.456 0.079 -5.101 502 HG11 VAL 69 1HG1 VAL 69 -0.832 0.943 -3.174 503 HG12 VAL 69 2HG1 VAL 69 -0.447 2.217 -4.356 504 HG13 VAL 69 3HG1 VAL 69 -2.087 1.528 -4.291 505 HG21 VAL 69 1HG2 VAL 69 -0.874 -1.872 -5.520 506 HG22 VAL 69 2HG2 VAL 69 -1.215 -1.334 -3.858 507 HG23 VAL 69 3HG2 VAL 69 -2.380 -0.995 -5.161 508 H ALA 70 H ALA 70 -2.140 2.950 -7.027 509 HA ALA 70 HA ALA 70 0.240 4.344 -7.933 510 HB1 ALA 70 1HB ALA 70 -1.327 5.206 -9.300 511 HB2 ALA 70 2HB ALA 70 -2.644 4.506 -8.329 512 HB3 ALA 70 3HB ALA 70 -1.963 6.091 -7.893 513 H VAL 71 H VAL 71 1.116 6.191 -6.899 514 HA VAL 71 HA VAL 71 0.042 6.722 -4.223 515 HB VAL 71 HB VAL 71 2.939 6.316 -4.991 516 HG11 VAL 71 1HG1 VAL 71 1.810 7.916 -2.922 517 HG12 VAL 71 2HG1 VAL 71 2.526 6.476 -2.159 518 HG13 VAL 71 3HG1 VAL 71 3.521 7.517 -3.206 519 HG21 VAL 71 1HG2 VAL 71 1.020 4.684 -3.304 520 HG22 VAL 71 2HG2 VAL 71 1.880 4.185 -4.780 521 HG23 VAL 71 3HG2 VAL 71 2.787 4.467 -3.275 522 H LYS 72 H LYS 72 -0.706 8.776 -4.285 523 HA LYS 72 HA LYS 72 0.850 10.690 -5.879 524 HB2 LYS 72 1HB LYS 72 -1.347 10.428 -6.799 525 HB3 LYS 72 2HB LYS 72 -2.103 10.573 -5.225 526 HG2 LYS 72 1HG LYS 72 -0.947 12.928 -5.116 527 HG3 LYS 72 2HG LYS 72 -0.712 12.738 -6.842 528 HD2 LYS 72 1HD LYS 72 -3.445 12.396 -5.538 529 HD3 LYS 72 2HD LYS 72 -2.865 13.957 -6.081 530 HE2 LYS 72 1HE LYS 72 -2.578 11.778 -8.094 531 HE3 LYS 72 2HE LYS 72 -4.237 12.150 -7.667 532 HZ1 LYS 72 1HZ LYS 72 -2.221 13.964 -8.763 533 HZ2 LYS 72 2HZ LYS 72 -3.693 13.599 -9.369 534 HZ3 LYS 72 3HZ LYS 72 -3.568 14.534 -8.036 535 H GLN 73 H GLN 73 2.011 12.159 -4.763 536 HA GLN 73 HA GLN 73 1.722 12.233 -1.944 537 HB2 GLN 73 1HB GLN 73 3.952 12.413 -2.749 538 HB3 GLN 73 2HB GLN 73 3.525 13.615 -3.950 539 HG2 GLN 73 1HG GLN 73 3.272 15.343 -2.307 540 HG3 GLN 73 2HG GLN 73 3.183 14.195 -0.986 541 HE21 GLN 73 1HE2 GLN 73 5.007 16.512 -1.905 542 HE22 GLN 73 2HE2 GLN 73 6.615 15.923 -1.649 543 H LEU 74 H LEU 74 0.387 13.550 -0.781 544 HA LEU 74 HA LEU 74 -0.563 15.977 -2.139 545 HB2 LEU 74 1HB LEU 74 -2.217 14.751 -0.013 546 HB3 LEU 74 2HB LEU 74 -2.690 15.614 -1.464 547 HG LEU 74 HG LEU 74 -1.458 12.917 -1.816 548 HD11 LEU 74 1HD1 LEU 74 -4.214 12.430 -1.558 549 HD12 LEU 74 2HD1 LEU 74 -2.897 11.840 -0.516 550 HD13 LEU 74 3HD1 LEU 74 -3.744 13.352 -0.110 551 HD21 LEU 74 1HD2 LEU 74 -3.942 13.779 -3.202 552 HD22 LEU 74 2HD2 LEU 74 -2.455 14.688 -3.564 553 HD23 LEU 74 3HD2 LEU 74 -2.508 12.928 -3.824 554 H GLY 75 H GLY 75 1.515 14.806 0.174 555 HA2 GLY 75 1HA GLY 75 0.900 16.740 2.257 556 HA3 GLY 75 2HA GLY 75 2.182 15.545 2.245 557 H VAL 76 H VAL 76 4.020 16.766 2.612 558 HA VAL 76 HA VAL 76 4.546 18.858 0.619 559 HB VAL 76 HB VAL 76 4.126 20.114 2.507 560 HG11 VAL 76 1HG1 VAL 76 3.894 18.107 4.017 561 HG12 VAL 76 2HG1 VAL 76 5.655 18.174 4.267 562 HG13 VAL 76 3HG1 VAL 76 4.632 19.539 4.775 563 HG21 VAL 76 1HG2 VAL 76 7.088 19.488 2.750 564 HG22 VAL 76 2HG2 VAL 76 6.363 20.600 1.564 565 HG23 VAL 76 3HG2 VAL 76 6.265 20.966 3.303 566 H ASN 77 H ASN 77 6.015 16.661 3.112 567 HA ASN 77 HA ASN 77 8.553 16.777 2.026 568 HB2 ASN 77 1HB ASN 77 7.118 14.665 3.707 569 HB3 ASN 77 2HB ASN 77 8.809 14.503 3.276 570 HD21 ASN 77 1HD2 ASN 77 6.591 15.773 5.443 571 HD22 ASN 77 2HD2 ASN 77 7.615 16.841 6.344 572 HA PRO 78 HA PRO 78 7.988 14.098 -1.413 573 HB2 PRO 78 1HB PRO 78 10.598 13.629 -2.076 574 HB3 PRO 78 2HB PRO 78 9.731 15.075 -2.557 575 HG2 PRO 78 1HG PRO 78 11.786 14.759 -0.456 576 HG3 PRO 78 2HG PRO 78 11.228 16.227 -1.233 577 HD2 PRO 78 1HD PRO 78 10.535 15.305 1.393 578 HD3 PRO 78 2HD PRO 78 9.887 16.711 0.571 579 H SER 79 H SER 79 7.265 12.074 -1.530 580 HA SER 79 HA SER 79 8.367 10.304 0.441 581 HB2 SER 79 1HB SER 79 5.913 10.449 -1.223 582 HB3 SER 79 2HB SER 79 6.522 8.821 -1.001 583 HG SER 79 HG SER 79 6.029 10.695 1.154 584 H THR 80 H THR 80 8.995 8.014 -0.200 585 HA THR 80 HA THR 80 10.263 8.025 -2.861 586 HB THR 80 HB THR 80 11.214 6.755 -0.239 587 HG1 THR 80 1HG THR 80 11.267 9.172 -0.505 588 HG21 THR 80 1HG2 THR 80 12.393 6.967 -3.049 589 HG22 THR 80 2HG2 THR 80 13.415 6.727 -1.612 590 HG23 THR 80 3HG2 THR 80 12.202 5.503 -2.056 591 H VAL 81 H VAL 81 9.057 6.823 -4.201 592 HA VAL 81 HA VAL 81 7.680 4.514 -3.101 593 HB VAL 81 HB VAL 81 7.606 5.978 -5.736 594 HG11 VAL 81 1HG1 VAL 81 7.196 3.869 -6.555 595 HG12 VAL 81 2HG1 VAL 81 6.536 3.275 -5.012 596 HG13 VAL 81 3HG1 VAL 81 5.552 4.332 -6.052 597 HG21 VAL 81 1HG2 VAL 81 5.421 6.656 -5.102 598 HG22 VAL 81 2HG2 VAL 81 5.368 5.495 -3.754 599 HG23 VAL 81 3HG2 VAL 81 6.447 6.908 -3.670 600 H GLY 82 H GLY 82 9.510 3.165 -2.619 601 HA2 GLY 82 1HA GLY 82 10.556 1.223 -3.338 602 HA3 GLY 82 2HA GLY 82 10.512 1.788 -4.996 603 H VAL 83 H VAL 83 12.191 3.098 -5.830 604 HA VAL 83 HA VAL 83 14.311 3.787 -3.929 605 HB VAL 83 HB VAL 83 14.788 1.623 -5.062 606 HG11 VAL 83 1HG1 VAL 83 14.490 1.334 -7.253 607 HG12 VAL 83 2HG1 VAL 83 13.858 2.995 -7.356 608 HG13 VAL 83 3HG1 VAL 83 15.591 2.684 -7.620 609 HG21 VAL 83 1HG2 VAL 83 16.483 4.023 -5.048 610 HG22 VAL 83 2HG2 VAL 83 16.825 2.371 -4.481 611 HG23 VAL 83 3HG2 VAL 83 17.018 2.779 -6.203 612 H GLN 84 H GLN 84 11.995 5.145 -5.489 613 HA GLN 84 HA GLN 84 13.731 7.119 -6.751 614 HB2 GLN 84 1HB GLN 84 12.590 6.118 -8.581 615 HB3 GLN 84 2HB GLN 84 11.082 5.989 -7.697 616 HG2 GLN 84 1HG GLN 84 10.577 8.282 -7.942 617 HG3 GLN 84 2HG GLN 84 12.254 8.737 -8.167 618 HE21 GLN 84 1HE2 GLN 84 9.323 7.933 -9.639 619 HE22 GLN 84 2HE2 GLN 84 9.830 7.857 -11.294 620 H GLU 85 H GLU 85 13.310 9.301 -6.251 621 HA GLU 85 HA GLU 85 11.624 9.640 -3.960 622 HB2 GLU 85 1HB GLU 85 13.759 10.717 -3.824 623 HB3 GLU 85 2HB GLU 85 13.604 11.419 -5.422 624 HG2 GLU 85 1HG GLU 85 11.618 12.766 -4.559 625 HG3 GLU 85 2HG GLU 85 11.966 12.157 -2.954 626 H LEU 86 H LEU 86 9.685 10.800 -3.874 627 HA LEU 86 HA LEU 86 8.561 11.453 -6.483 628 HB2 LEU 86 1HB LEU 86 7.422 10.819 -3.781 629 HB3 LEU 86 2HB LEU 86 6.453 11.658 -4.976 630 HG LEU 86 HG LEU 86 7.563 8.860 -5.078 631 HD11 LEU 86 1HD1 LEU 86 5.482 8.673 -4.175 632 HD12 LEU 86 2HD1 LEU 86 4.871 10.137 -4.981 633 HD13 LEU 86 3HD1 LEU 86 5.045 8.622 -5.899 634 HD21 LEU 86 1HD2 LEU 86 6.627 8.787 -7.446 635 HD22 LEU 86 2HD2 LEU 86 6.680 10.566 -7.408 636 HD23 LEU 86 3HD2 LEU 86 8.180 9.627 -7.217 637 H LYS 87 H LYS 87 6.679 13.369 -5.865 638 HA LYS 87 HA LYS 87 8.080 15.516 -4.504 639 HB2 LYS 87 1HB LYS 87 7.979 15.258 -7.399 640 HB3 LYS 87 2HB LYS 87 7.178 16.723 -6.869 641 HG2 LYS 87 1HG LYS 87 9.134 17.526 -5.736 642 HG3 LYS 87 2HG LYS 87 9.896 15.948 -5.749 643 HD2 LYS 87 1HD LYS 87 11.026 16.797 -7.561 644 HD3 LYS 87 2HD LYS 87 9.592 16.299 -8.436 645 HE2 LYS 87 1HE LYS 87 8.898 18.460 -8.796 646 HE3 LYS 87 2HE LYS 87 9.335 18.978 -7.180 647 HZ1 LYS 87 1HZ LYS 87 10.709 19.517 -9.434 648 HZ2 LYS 87 2HZ LYS 87 11.277 19.697 -7.913 649 HZ3 LYS 87 3HZ LYS 87 11.605 18.334 -8.751 650 HA PRO 88 HA PRO 88 4.048 16.753 -3.561 651 HB2 PRO 88 1HB PRO 88 4.040 19.481 -3.724 652 HB3 PRO 88 2HB PRO 88 4.729 18.604 -2.373 653 HG2 PRO 88 1HG PRO 88 6.117 19.985 -4.587 654 HG3 PRO 88 2HG PRO 88 6.756 19.483 -3.035 655 HD2 PRO 88 1HD PRO 88 7.170 18.190 -5.562 656 HD3 PRO 88 2HD PRO 88 7.712 17.624 -3.994 657 H GLY 89 H GLY 89 2.336 16.080 -4.679 658 HA2 GLY 89 1HA GLY 89 0.565 16.606 -6.089 659 HA3 GLY 89 2HA GLY 89 1.552 17.792 -6.920 660 H LEU 90 H LEU 90 3.477 15.046 -6.425 661 HA LEU 90 HA LEU 90 3.178 14.314 -9.204 662 HB2 LEU 90 1HB LEU 90 5.341 14.660 -7.711 663 HB3 LEU 90 2HB LEU 90 5.076 12.968 -7.339 664 HG LEU 90 HG LEU 90 5.401 12.292 -9.574 665 HD11 LEU 90 1HD1 LEU 90 5.851 14.230 -11.326 666 HD12 LEU 90 2HD1 LEU 90 4.211 13.623 -10.994 667 HD13 LEU 90 3HD1 LEU 90 4.771 15.133 -10.236 668 HD21 LEU 90 1HD2 LEU 90 7.617 12.636 -9.702 669 HD22 LEU 90 2HD2 LEU 90 7.452 14.408 -9.709 670 HD23 LEU 90 3HD2 LEU 90 7.385 13.514 -8.171 671 H SER 91 H SER 91 3.549 11.713 -9.488 672 HA SER 91 HA SER 91 2.053 10.218 -7.596 673 HB2 SER 91 1HB SER 91 0.706 9.782 -10.134 674 HB3 SER 91 2HB SER 91 0.014 10.176 -8.573 675 HG SER 91 HG SER 91 0.214 12.382 -8.994 676 H GLY 92 H GLY 92 2.697 8.057 -7.706 677 HA2 GLY 92 1HA GLY 92 4.083 7.202 -10.171 678 HA3 GLY 92 2HA GLY 92 4.810 6.984 -8.592 679 H SER 93 H SER 93 4.737 4.633 -9.411 680 HA SER 93 HA SER 93 2.178 3.518 -8.575 681 HB2 SER 93 1HB SER 93 2.568 1.665 -10.242 682 HB3 SER 93 2HB SER 93 2.269 3.229 -10.974 683 HG SER 93 HG SER 93 4.361 1.629 -11.402 684 H LEU 94 H LEU 94 2.334 1.416 -7.479 685 HA LEU 94 HA LEU 94 5.069 0.792 -6.612 686 HB2 LEU 94 1HB LEU 94 2.910 1.781 -5.055 687 HB3 LEU 94 2HB LEU 94 3.152 0.104 -4.605 688 HG LEU 94 HG LEU 94 5.721 1.365 -4.746 689 HD11 LEU 94 1HD1 LEU 94 5.567 3.163 -3.208 690 HD12 LEU 94 2HD1 LEU 94 4.339 3.460 -4.462 691 HD13 LEU 94 3HD1 LEU 94 3.852 2.827 -2.871 692 HD21 LEU 94 1HD2 LEU 94 4.143 0.433 -2.333 693 HD22 LEU 94 2HD2 LEU 94 5.076 -0.627 -3.416 694 HD23 LEU 94 3HD2 LEU 94 5.908 0.622 -2.460 695 H SER 95 H SER 95 5.668 -1.213 -7.216 696 HA SER 95 HA SER 95 3.604 -2.990 -8.113 697 HB2 SER 95 1HB SER 95 6.575 -3.610 -8.022 698 HB3 SER 95 2HB SER 95 5.366 -4.268 -9.107 699 HG SER 95 HG SER 95 5.758 -2.663 -10.456 700 H LEU 96 H LEU 96 3.415 -5.241 -7.326 701 HA LEU 96 HA LEU 96 3.249 -5.452 -4.603 702 HB2 LEU 96 1HB LEU 96 3.077 -7.226 -6.921 703 HB3 LEU 96 2HB LEU 96 3.610 -8.048 -5.468 704 HG LEU 96 HG LEU 96 1.114 -6.339 -5.587 705 HD11 LEU 96 1HD1 LEU 96 -0.201 -8.187 -6.075 706 HD12 LEU 96 2HD1 LEU 96 1.203 -8.405 -7.147 707 HD13 LEU 96 3HD1 LEU 96 1.079 -9.346 -5.642 708 HD21 LEU 96 1HD2 LEU 96 2.334 -6.886 -3.365 709 HD22 LEU 96 2HD2 LEU 96 0.575 -7.136 -3.477 710 HD23 LEU 96 3HD2 LEU 96 1.682 -8.525 -3.602 711 H GLY 97 H GLY 97 4.917 -5.000 -3.237 712 HA2 GLY 97 1HA GLY 97 6.735 -6.294 -2.169 713 HA3 GLY 97 2HA GLY 97 7.467 -6.410 -3.757 714 H ASP 98 H ASP 98 6.647 -3.648 -4.585 715 HA ASP 98 HA ASP 98 8.910 -2.323 -3.894 716 HB2 ASP 98 1HB ASP 98 6.186 -1.465 -4.882 717 HB3 ASP 98 2HB ASP 98 7.330 -0.218 -4.428 718 H VAL 99 H VAL 99 9.209 -0.371 -2.463 719 HA VAL 99 HA VAL 99 7.565 -0.614 -0.055 720 HB VAL 99 HB VAL 99 10.330 0.484 -0.579 721 HG11 VAL 99 1HG1 VAL 99 10.449 0.833 1.895 722 HG12 VAL 99 2HG1 VAL 99 9.311 1.924 1.069 723 HG13 VAL 99 3HG1 VAL 99 8.699 0.523 1.981 724 HG21 VAL 99 1HG2 VAL 99 9.619 -2.098 -0.260 725 HG22 VAL 99 2HG2 VAL 99 11.166 -1.432 0.314 726 HG23 VAL 99 3HG2 VAL 99 9.808 -1.630 1.447 727 H LEU 100 H LEU 100 7.169 1.513 1.144 728 HA LEU 100 HA LEU 100 6.979 3.788 -0.656 729 HB2 LEU 100 1HB LEU 100 4.896 2.673 -1.040 730 HB3 LEU 100 2HB LEU 100 4.614 2.474 0.678 731 HG LEU 100 HG LEU 100 4.418 4.935 0.920 732 HD11 LEU 100 1HD1 LEU 100 5.845 5.311 -1.221 733 HD12 LEU 100 2HD1 LEU 100 4.285 5.189 -2.071 734 HD13 LEU 100 3HD1 LEU 100 4.528 6.443 -0.831 735 HD21 LEU 100 1HD2 LEU 100 2.202 5.066 0.188 736 HD22 LEU 100 2HD2 LEU 100 2.503 4.018 -1.220 737 HD23 LEU 100 3HD2 LEU 100 2.483 3.324 0.419 738 H TYR 101 H TYR 101 8.647 4.706 0.641 739 HA TYR 101 HA TYR 101 8.515 4.795 3.442 740 HB2 TYR 101 1HB TYR 101 9.778 6.535 1.237 741 HB3 TYR 101 2HB TYR 101 10.165 6.757 2.931 742 HD1 TYR 101 1HD TYR 101 11.319 4.895 4.193 743 HD2 TYR 101 2HD TYR 101 10.806 4.809 -0.053 744 HE1 TYR 101 1HE TYR 101 13.138 3.128 4.002 745 HE2 TYR 101 2HE TYR 101 12.627 3.043 -0.230 746 HH TYR 101 HH TYR 101 14.084 1.853 0.820 747 H LEU 102 H LEU 102 6.630 5.565 4.376 748 HA LEU 102 HA LEU 102 4.882 7.371 3.538 749 HB2 LEU 102 1HB LEU 102 5.655 6.255 6.018 750 HB3 LEU 102 2HB LEU 102 5.455 7.976 6.285 751 HG LEU 102 HG LEU 102 3.242 6.976 4.722 752 HD11 LEU 102 1HD1 LEU 102 2.532 5.121 5.743 753 HD12 LEU 102 2HD1 LEU 102 4.203 4.967 6.338 754 HD13 LEU 102 3HD1 LEU 102 2.961 5.732 7.359 755 HD21 LEU 102 1HD2 LEU 102 1.971 7.855 6.733 756 HD22 LEU 102 2HD2 LEU 102 3.553 8.278 7.432 757 HD23 LEU 102 3HD2 LEU 102 3.032 9.015 5.898 758 H VAL 103 H VAL 103 7.867 8.295 5.400 759 HA VAL 103 HA VAL 103 8.307 10.534 3.723 760 HB VAL 103 HB VAL 103 6.363 11.340 5.017 761 HG11 VAL 103 1HG1 VAL 103 6.805 11.941 7.451 762 HG12 VAL 103 2HG1 VAL 103 6.548 10.215 7.100 763 HG13 VAL 103 3HG1 VAL 103 8.195 10.832 7.375 764 HG21 VAL 103 1HG2 VAL 103 7.219 13.495 5.402 765 HG22 VAL 103 2HG2 VAL 103 8.814 12.875 5.891 766 HG23 VAL 103 3HG2 VAL 103 8.315 12.798 4.184 767 H ASN 104 H ASN 104 10.133 11.963 4.823 768 HA ASN 104 HA ASN 104 12.265 11.867 5.313 769 HB2 ASN 104 1HB ASN 104 11.606 10.362 7.860 770 HB3 ASN 104 2HB ASN 104 12.665 11.742 7.648 771 HD21 ASN 104 1HD2 ASN 104 11.370 13.660 6.520 772 HD22 ASN 104 2HD2 ASN 104 9.922 14.129 7.348 773 H GLY 105 H GLY 105 11.694 9.716 3.618 774 HA2 GLY 105 1HA GLY 105 12.178 7.561 3.079 775 HA3 GLY 105 2HA GLY 105 13.754 8.024 3.687 776 H LEU 106 H LEU 106 10.892 7.893 5.813 777 HA LEU 106 HA LEU 106 11.972 5.420 6.972 778 HB2 LEU 106 1HB LEU 106 11.230 8.008 8.270 779 HB3 LEU 106 2HB LEU 106 10.968 6.512 9.145 780 HG LEU 106 HG LEU 106 13.584 7.660 8.163 781 HD11 LEU 106 1HD1 LEU 106 12.252 7.290 10.798 782 HD12 LEU 106 2HD1 LEU 106 14.014 7.051 10.727 783 HD13 LEU 106 3HD1 LEU 106 13.304 8.599 10.211 784 HD21 LEU 106 1HD2 LEU 106 13.898 5.419 7.614 785 HD22 LEU 106 2HD2 LEU 106 14.568 5.543 9.258 786 HD23 LEU 106 3HD2 LEU 106 12.953 4.839 9.006 787 H TYR 107 H TYR 107 9.981 4.895 8.827 788 HA TYR 107 HA TYR 107 8.100 3.664 8.784 789 HB2 TYR 107 1HB TYR 107 6.920 6.179 7.496 790 HB3 TYR 107 2HB TYR 107 6.213 5.208 8.772 791 HD1 TYR 107 2HD TYR 107 7.978 5.060 10.930 792 HD2 TYR 107 1HD TYR 107 7.555 8.298 8.165 793 HE1 TYR 107 2HE TYR 107 8.911 6.671 12.662 794 HE2 TYR 107 1HE TYR 107 8.489 9.898 9.906 795 HH TYR 107 HH TYR 107 9.787 8.701 12.941 796 HA PRO 108 HA PRO 108 7.991 2.962 4.257 797 HB2 PRO 108 1HB PRO 108 9.353 0.595 4.142 798 HB3 PRO 108 2HB PRO 108 10.104 2.149 3.838 799 HG2 PRO 108 1HG PRO 108 10.324 0.420 6.225 800 HG3 PRO 108 2HG PRO 108 11.369 1.734 5.721 801 HD2 PRO 108 1HD PRO 108 9.391 1.812 7.797 802 HD3 PRO 108 2HD PRO 108 10.353 3.156 7.216 803 H LEU 109 H LEU 109 7.111 0.985 2.999 804 HA LEU 109 HA LEU 109 5.587 -0.749 4.714 805 HB2 LEU 109 1HB LEU 109 4.307 1.462 3.136 806 HB3 LEU 109 2HB LEU 109 3.453 -0.039 3.432 807 HG LEU 109 HG LEU 109 4.368 0.668 5.957 808 HD11 LEU 109 1HD1 LEU 109 3.240 3.104 5.919 809 HD12 LEU 109 2HD1 LEU 109 4.991 2.833 5.746 810 HD13 LEU 109 3HD1 LEU 109 3.985 3.104 4.303 811 HD21 LEU 109 1HD2 LEU 109 2.153 0.666 6.523 812 HD22 LEU 109 2HD2 LEU 109 1.661 1.578 5.075 813 HD23 LEU 109 3HD2 LEU 109 2.069 -0.150 4.943 814 H THR 110 H THR 110 5.215 -2.706 3.717 815 HA THR 110 HA THR 110 6.214 -2.892 0.967 816 HB THR 110 HB THR 110 5.674 -5.119 2.991 817 HG1 THR 110 1HG THR 110 8.098 -3.596 2.344 818 HG21 THR 110 1HG2 THR 110 6.825 -4.950 0.283 819 HG22 THR 110 2HG2 THR 110 7.998 -5.594 1.458 820 HG23 THR 110 3HG2 THR 110 6.423 -6.396 1.241 821 H LEU 111 H LEU 111 4.911 -3.231 -0.723 822 HA LEU 111 HA LEU 111 2.093 -3.473 -0.187 823 HB2 LEU 111 1HB LEU 111 2.653 -1.928 -1.848 824 HB3 LEU 111 2HB LEU 111 3.784 -3.018 -2.626 825 HG LEU 111 HG LEU 111 1.875 -4.445 -3.348 826 HD11 LEU 111 1HD1 LEU 111 0.084 -4.166 -1.964 827 HD12 LEU 111 2HD1 LEU 111 0.338 -2.412 -1.793 828 HD13 LEU 111 3HD1 LEU 111 -0.390 -3.065 -3.281 829 HD21 LEU 111 1HD2 LEU 111 2.186 -1.594 -4.213 830 HD22 LEU 111 2HD2 LEU 111 2.590 -3.102 -5.068 831 HD23 LEU 111 3HD2 LEU 111 0.892 -2.587 -4.925 832 H ARG 112 H ARG 112 1.144 -5.397 0.185 833 HA ARG 112 HA ARG 112 2.329 -7.673 -1.193 834 HB2 ARG 112 1HB ARG 112 0.951 -7.514 1.530 835 HB3 ARG 112 2HB ARG 112 1.294 -9.037 0.735 836 HG2 ARG 112 1HG ARG 112 3.492 -6.984 1.185 837 HG3 ARG 112 2HG ARG 112 3.039 -8.107 2.452 838 HD2 ARG 112 1HD ARG 112 3.466 -10.027 0.877 839 HD3 ARG 112 2HD ARG 112 3.967 -8.886 -0.356 840 HE ARG 112 HE ARG 112 5.521 -8.260 1.900 841 HH11 ARG 112 2HH2 ARG 112 5.032 -11.073 -0.157 842 HH12 ARG 112 1HH2 ARG 112 6.630 -11.692 0.092 843 HH21 ARG 112 2HH1 ARG 112 7.630 -9.076 2.229 844 HH22 ARG 112 1HH1 ARG 112 8.118 -10.549 1.458 845 H TRP 113 H TRP 113 0.641 -9.528 -1.534 846 HA TRP 113 HA TRP 113 -2.054 -8.446 -1.889 847 HB2 TRP 113 1HB TRP 113 -1.483 -8.147 -4.055 848 HB3 TRP 113 2HB TRP 113 -0.192 -9.330 -4.012 849 HD1 TRP 113 HD TRP 113 -1.484 -12.045 -3.589 850 HE1 TRP 113 1HE TRP 113 -3.325 -13.148 -5.124 851 HE3 TRP 113 3HE TRP 113 -3.140 -7.692 -5.630 852 HZ2 TRP 113 2HZ TRP 113 -5.225 -12.100 -6.978 853 HZ3 TRP 113 3HZ TRP 113 -4.991 -7.820 -7.295 854 HH2 TRP 113 HH TRP 113 -6.027 -9.927 -7.975 855 H SER 114 H SER 114 -3.635 -9.952 -1.340 856 HA SER 114 HA SER 114 -2.669 -12.318 -0.095 857 HB2 SER 114 1HB SER 114 -4.621 -10.797 0.674 858 HB3 SER 114 2HB SER 114 -5.579 -11.570 -0.572 859 HG SER 114 HG SER 114 -5.637 -13.437 0.547 860 H GLY 115 H GLY 115 -2.813 -14.444 -0.858 861 HA2 GLY 115 1HA GLY 115 -4.457 -15.042 -3.175 862 HA3 GLY 115 2HA GLY 115 -2.727 -15.110 -3.446 863 HA PRO 116 HA PRO 116 -4.258 -18.982 -1.378 864 HB2 PRO 116 1HB PRO 116 -4.611 -20.660 -3.506 865 HB3 PRO 116 2HB PRO 116 -5.928 -19.798 -2.737 866 HG2 PRO 116 1HG PRO 116 -4.613 -19.244 -5.326 867 HG3 PRO 116 2HG PRO 116 -6.168 -18.685 -4.743 868 HD2 PRO 116 1HD PRO 116 -3.739 -17.166 -4.878 869 HD3 PRO 116 2HD PRO 116 -5.263 -16.646 -4.188 870 H SER 117 H SER 117 -2.602 -19.885 -0.348 871 HA SER 117 HA SER 117 -0.831 -21.472 -1.720 872 HB2 SER 117 1HB SER 117 -0.166 -18.720 -2.002 873 HB3 SER 117 2HB SER 117 0.969 -19.359 -0.830 874 HG SER 117 HG SER 117 0.824 -19.799 -3.564 875 H SER 118 H SER 118 -1.264 -22.831 0.081 876 HA SER 118 HA SER 118 0.163 -22.024 2.465 877 HB2 SER 118 1HB SER 118 -2.078 -21.444 3.090 878 HB3 SER 118 2HB SER 118 -2.748 -22.884 2.351 879 HG SER 118 HG SER 118 -1.994 -22.565 4.903 880 H GLY 119 H GLY 119 -1.879 -24.657 0.990 881 HA2 GLY 119 1HA GLY 119 0.355 -26.514 1.296 882 HA3 GLY 119 2HA GLY 119 -1.114 -26.884 2.178 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -34.824 -32.815 -7.736 2 HA2 GLY 1 1HA GLY 1 -33.651 -32.213 -5.303 3 HA3 GLY 1 2HA GLY 1 -32.363 -32.833 -6.317 4 H SER 2 H SER 2 -32.070 -30.249 -5.554 5 HA SER 2 HA SER 2 -31.896 -28.922 -7.960 6 HB2 SER 2 1HB SER 2 -34.517 -28.791 -7.022 7 HB3 SER 2 2HB SER 2 -33.830 -27.295 -6.420 8 HG SER 2 HG SER 2 -34.797 -27.494 -8.757 9 H SER 3 H SER 3 -30.937 -26.710 -7.658 10 HA SER 3 HA SER 3 -29.776 -26.541 -4.994 11 HB2 SER 3 1HB SER 3 -28.711 -26.231 -7.707 12 HB3 SER 3 2HB SER 3 -28.348 -24.826 -6.726 13 HG SER 3 HG SER 3 -27.941 -27.271 -5.402 14 H GLY 4 H GLY 4 -30.815 -24.424 -7.774 15 HA2 GLY 4 1HA GLY 4 -32.484 -22.755 -7.443 16 HA3 GLY 4 2HA GLY 4 -31.934 -22.544 -5.793 17 H SER 5 H SER 5 -31.290 -20.395 -5.778 18 HA SER 5 HA SER 5 -30.152 -19.073 -7.868 19 HB2 SER 5 1HB SER 5 -29.238 -17.516 -6.041 20 HB3 SER 5 2HB SER 5 -30.969 -17.792 -6.036 21 HG SER 5 HG SER 5 -29.241 -19.463 -4.457 22 H SER 6 H SER 6 -28.256 -19.467 -8.945 23 HA SER 6 HA SER 6 -26.402 -21.268 -8.235 24 HB2 SER 6 1HB SER 6 -26.660 -19.973 -10.436 25 HB3 SER 6 2HB SER 6 -25.729 -18.683 -9.700 26 HG SER 6 HG SER 6 -23.904 -19.944 -9.655 27 H GLY 7 H GLY 7 -25.229 -21.415 -6.356 28 HA2 GLY 7 1HA GLY 7 -23.873 -20.852 -4.655 29 HA3 GLY 7 2HA GLY 7 -23.313 -19.506 -5.628 30 H MET 8 H MET 8 -24.086 -19.844 -2.648 31 HA MET 8 HA MET 8 -26.102 -17.737 -2.593 32 HB2 MET 8 1HB MET 8 -25.485 -20.131 -0.900 33 HB3 MET 8 2HB MET 8 -25.880 -18.689 0.014 34 HG2 MET 8 1HG MET 8 -28.063 -19.262 -0.332 35 HG3 MET 8 2HG MET 8 -27.840 -18.654 -1.960 36 HE1 MET 8 1HE MET 8 -26.781 -22.571 -0.341 37 HE2 MET 8 2HE MET 8 -27.724 -21.299 0.474 38 HE3 MET 8 3HE MET 8 -28.559 -22.645 -0.339 39 H SER 9 H SER 9 -23.152 -18.927 -0.824 40 HA SER 9 HA SER 9 -22.767 -16.578 0.576 41 HB2 SER 9 1HB SER 9 -21.690 -18.699 1.195 42 HB3 SER 9 2HB SER 9 -20.777 -18.716 -0.301 43 HG SER 9 HG SER 9 -19.622 -16.842 0.388 44 H GLN 10 H GLN 10 -21.271 -14.797 0.236 45 HA GLN 10 HA GLN 10 -19.767 -14.634 -2.127 46 HB2 GLN 10 1HB GLN 10 -22.540 -13.616 -2.195 47 HB3 GLN 10 2HB GLN 10 -21.359 -12.398 -2.634 48 HG2 GLN 10 1HG GLN 10 -20.489 -14.734 -3.973 49 HG3 GLN 10 2HG GLN 10 -22.233 -14.762 -4.140 50 HE21 GLN 10 1HE2 GLN 10 -21.678 -14.474 -6.412 51 HE22 GLN 10 2HE2 GLN 10 -21.455 -12.879 -7.048 52 H LEU 11 H LEU 11 -18.095 -14.045 -0.681 53 HA LEU 11 HA LEU 11 -18.563 -11.722 1.004 54 HB2 LEU 11 1HB LEU 11 -16.339 -13.748 0.807 55 HB3 LEU 11 2HB LEU 11 -16.220 -12.304 1.793 56 HG LEU 11 HG LEU 11 -18.380 -14.406 2.110 57 HD11 LEU 11 1HD1 LEU 11 -15.980 -15.161 2.561 58 HD12 LEU 11 2HD1 LEU 11 -16.009 -14.036 3.940 59 HD13 LEU 11 3HD1 LEU 11 -17.169 -15.384 3.867 60 HD21 LEU 11 1HD2 LEU 11 -17.743 -11.841 3.507 61 HD22 LEU 11 2HD2 LEU 11 -19.315 -12.559 3.084 62 HD23 LEU 11 3HD2 LEU 11 -18.386 -13.200 4.460 63 H GLY 12 H GLY 12 -16.229 -12.860 -1.537 64 HA2 GLY 12 1HA GLY 12 -16.226 -10.280 -2.783 65 HA3 GLY 12 2HA GLY 12 -14.763 -10.573 -1.863 66 H SER 13 H SER 13 -13.548 -10.559 -3.894 67 HA SER 13 HA SER 13 -13.279 -13.174 -4.911 68 HB2 SER 13 1HB SER 13 -14.872 -11.194 -6.443 69 HB3 SER 13 2HB SER 13 -13.578 -11.925 -7.372 70 HG SER 13 HG SER 13 -15.673 -13.097 -7.408 71 H ARG 14 H ARG 14 -11.379 -13.292 -6.456 72 HA ARG 14 HA ARG 14 -9.349 -12.804 -7.005 73 HB2 ARG 14 1HB ARG 14 -10.630 -10.074 -7.137 74 HB3 ARG 14 2HB ARG 14 -8.882 -10.147 -7.252 75 HG2 ARG 14 1HG ARG 14 -10.034 -12.216 -8.941 76 HG3 ARG 14 2HG ARG 14 -10.797 -10.682 -9.312 77 HD2 ARG 14 1HD ARG 14 -8.830 -9.728 -10.105 78 HD3 ARG 14 2HD ARG 14 -7.815 -10.616 -8.985 79 HE ARG 14 HE ARG 14 -8.798 -12.604 -10.642 80 HH11 ARG 14 2HH2 ARG 14 -7.134 -9.557 -11.220 81 HH12 ARG 14 1HH2 ARG 14 -6.378 -10.100 -12.680 82 HH21 ARG 14 2HH1 ARG 14 -7.800 -13.321 -12.569 83 HH22 ARG 14 1HH1 ARG 14 -6.759 -12.255 -13.453 84 H GLY 15 H GLY 15 -7.220 -11.702 -6.228 85 HA2 GLY 15 1HA GLY 15 -6.948 -12.010 -3.462 86 HA3 GLY 15 2HA GLY 15 -5.786 -11.281 -4.551 87 H ARG 16 H ARG 16 -5.724 -10.108 -2.185 88 HA ARG 16 HA ARG 16 -7.209 -7.658 -2.645 89 HB2 ARG 16 1HB ARG 16 -6.738 -8.836 0.135 90 HB3 ARG 16 2HB ARG 16 -7.715 -7.436 -0.261 91 HG2 ARG 16 1HG ARG 16 -8.362 -10.137 -1.487 92 HG3 ARG 16 2HG ARG 16 -8.893 -9.763 0.141 93 HD2 ARG 16 1HD ARG 16 -9.681 -7.471 -1.158 94 HD3 ARG 16 2HD ARG 16 -9.823 -8.628 -2.466 95 HE ARG 16 HE ARG 16 -11.062 -9.945 -0.390 96 HH11 ARG 16 2HH2 ARG 16 -11.440 -6.717 -1.739 97 HH12 ARG 16 1HH2 ARG 16 -13.117 -6.600 -1.322 98 HH21 ARG 16 2HH1 ARG 16 -13.275 -9.791 0.160 99 HH22 ARG 16 1HH1 ARG 16 -14.168 -8.361 -0.234 100 H LEU 17 H LEU 17 -5.893 -5.838 -2.547 101 HA LEU 17 HA LEU 17 -3.107 -6.276 -1.983 102 HB2 LEU 17 1HB LEU 17 -4.708 -3.929 -2.991 103 HB3 LEU 17 2HB LEU 17 -2.995 -3.823 -2.638 104 HG LEU 17 HG LEU 17 -3.895 -6.006 -4.469 105 HD11 LEU 17 1HD1 LEU 17 -3.551 -3.179 -5.483 106 HD12 LEU 17 2HD1 LEU 17 -4.075 -4.622 -6.383 107 HD13 LEU 17 3HD1 LEU 17 -5.137 -3.911 -5.144 108 HD21 LEU 17 1HD2 LEU 17 -1.749 -5.457 -5.581 109 HD22 LEU 17 2HD2 LEU 17 -1.470 -4.192 -4.360 110 HD23 LEU 17 3HD2 LEU 17 -1.562 -5.900 -3.868 111 H TRP 18 H TRP 18 -1.893 -5.369 -0.293 112 HA TRP 18 HA TRP 18 -3.084 -3.586 1.573 113 HB2 TRP 18 1HB TRP 18 -2.961 -5.143 3.519 114 HB3 TRP 18 2HB TRP 18 -4.289 -5.425 2.410 115 HD1 TRP 18 HD TRP 18 -4.291 -7.783 1.095 116 HE1 TRP 18 1HE TRP 18 -2.966 -10.056 1.304 117 HE3 TRP 18 3HE TRP 18 -0.616 -5.971 4.105 118 HZ2 TRP 18 2HZ TRP 18 -0.583 -10.823 2.674 119 HZ3 TRP 18 3HZ TRP 18 1.173 -7.548 4.833 120 HH2 TRP 18 HH TRP 18 1.227 -9.899 4.166 121 H LEU 19 H LEU 19 -1.444 -2.812 3.076 122 HA LEU 19 HA LEU 19 1.234 -3.392 2.094 123 HB2 LEU 19 1HB LEU 19 0.385 -1.243 4.030 124 HB3 LEU 19 2HB LEU 19 1.882 -1.349 3.124 125 HG LEU 19 HG LEU 19 0.837 0.184 1.832 126 HD11 LEU 19 1HD1 LEU 19 0.189 -0.731 -0.185 127 HD12 LEU 19 2HD1 LEU 19 1.058 -2.090 0.569 128 HD13 LEU 19 3HD1 LEU 19 -0.722 -2.055 0.581 129 HD21 LEU 19 1HD2 LEU 19 -1.905 -1.003 2.281 130 HD22 LEU 19 2HD2 LEU 19 -1.161 0.167 3.397 131 HD23 LEU 19 3HD2 LEU 19 -1.478 0.627 1.707 132 H GLN 20 H GLN 20 2.976 -3.977 3.508 133 HA GLN 20 HA GLN 20 1.978 -5.226 5.947 134 HB2 GLN 20 1HB GLN 20 2.981 -6.658 4.013 135 HB3 GLN 20 2HB GLN 20 4.533 -6.011 4.504 136 HG2 GLN 20 1HG GLN 20 4.155 -6.863 6.828 137 HG3 GLN 20 2HG GLN 20 2.601 -7.508 6.338 138 HE21 GLN 20 1HE2 GLN 20 2.518 -9.522 5.700 139 HE22 GLN 20 2HE2 GLN 20 3.834 -10.499 5.139 140 H SER 21 H SER 21 2.319 -3.626 7.497 141 HA SER 21 HA SER 21 4.544 -1.943 7.426 142 HB2 SER 21 1HB SER 21 3.791 -1.667 9.973 143 HB3 SER 21 2HB SER 21 2.831 -1.007 8.665 144 HG SER 21 HG SER 21 1.229 -2.310 9.210 145 HA PRO 22 HA PRO 22 7.497 -4.481 9.376 146 HB2 PRO 22 1HB PRO 22 9.289 -2.610 10.245 147 HB3 PRO 22 2HB PRO 22 9.234 -3.189 8.592 148 HG2 PRO 22 1HG PRO 22 8.303 -0.604 9.682 149 HG3 PRO 22 2HG PRO 22 8.649 -1.033 8.019 150 HD2 PRO 22 1HD PRO 22 6.058 -0.777 9.222 151 HD3 PRO 22 2HD PRO 22 6.408 -1.319 7.593 152 H THR 23 H THR 23 8.061 -5.489 11.285 153 HA THR 23 HA THR 23 8.014 -5.853 13.486 154 HB THR 23 HB THR 23 8.425 -3.075 13.279 155 HG1 THR 23 1HG THR 23 9.023 -3.536 15.590 156 HG21 THR 23 1HG2 THR 23 6.514 -3.570 15.592 157 HG22 THR 23 2HG2 THR 23 7.088 -2.017 14.938 158 HG23 THR 23 3HG2 THR 23 5.889 -2.975 14.035 159 H GLY 24 H GLY 24 6.359 -5.515 15.511 160 HA2 GLY 24 1HA GLY 24 3.892 -6.614 14.499 161 HA3 GLY 24 2HA GLY 24 4.383 -6.433 16.171 162 H GLY 25 H GLY 25 4.247 -3.894 13.597 163 HA2 GLY 25 1HA GLY 25 3.008 -2.005 15.279 164 HA3 GLY 25 2HA GLY 25 3.191 -1.910 13.539 165 HA PRO 26 HA PRO 26 -1.211 -2.351 13.922 166 HB2 PRO 26 1HB PRO 26 -1.858 -0.971 11.654 167 HB3 PRO 26 2HB PRO 26 -1.673 -0.207 13.220 168 HG2 PRO 26 1HG PRO 26 0.168 -0.163 10.908 169 HG3 PRO 26 2HG PRO 26 0.119 0.909 12.293 170 HD2 PRO 26 1HD PRO 26 1.982 -1.224 11.838 171 HD3 PRO 26 2HD PRO 26 1.860 -0.227 13.274 172 HA PRO 27 HA PRO 27 -2.086 -5.544 11.264 173 HB2 PRO 27 1HB PRO 27 -4.740 -5.298 10.663 174 HB3 PRO 27 2HB PRO 27 -4.158 -5.964 12.176 175 HG2 PRO 27 1HG PRO 27 -5.344 -3.307 11.656 176 HG3 PRO 27 2HG PRO 27 -5.153 -4.144 13.184 177 HD2 PRO 27 1HD PRO 27 -3.556 -1.971 12.206 178 HD3 PRO 27 2HD PRO 27 -3.295 -2.884 13.679 179 HA PRO 28 HA PRO 28 -1.913 -4.622 7.121 180 HB2 PRO 28 1HB PRO 28 -3.173 -6.681 5.838 181 HB3 PRO 28 2HB PRO 28 -1.542 -6.799 6.469 182 HG2 PRO 28 1HG PRO 28 -4.038 -7.950 7.557 183 HG3 PRO 28 2HG PRO 28 -2.380 -8.393 7.910 184 HD2 PRO 28 1HD PRO 28 -4.131 -6.839 9.567 185 HD3 PRO 28 2HD PRO 28 -2.439 -7.184 9.865 186 H ILE 29 H ILE 29 -2.774 -2.782 6.395 187 HA ILE 29 HA ILE 29 -5.635 -2.557 6.475 188 HB ILE 29 HB ILE 29 -3.386 -0.729 5.663 189 HG12 ILE 29 1HG1 ILE 29 -4.902 0.464 7.646 190 HG13 ILE 29 2HG1 ILE 29 -4.943 -1.228 8.101 191 HG21 ILE 29 1HG2 ILE 29 -6.346 -0.398 5.268 192 HG22 ILE 29 2HG2 ILE 29 -5.318 1.013 5.612 193 HG23 ILE 29 3HG2 ILE 29 -4.999 0.008 4.178 194 HD11 ILE 29 1HD1 ILE 29 -2.953 -0.591 9.122 195 HD12 ILE 29 2HD1 ILE 29 -2.324 -1.102 7.538 196 HD13 ILE 29 3HD1 ILE 29 -2.582 0.626 7.877 197 H PHE 30 H PHE 30 -6.899 -3.484 4.960 198 HA PHE 30 HA PHE 30 -5.756 -4.084 2.380 199 HB2 PHE 30 1HB PHE 30 -8.525 -4.471 3.669 200 HB3 PHE 30 2HB PHE 30 -8.062 -5.170 2.131 201 HD1 PHE 30 2HD PHE 30 -7.548 -5.314 5.762 202 HD2 PHE 30 1HD PHE 30 -6.626 -7.102 2.026 203 HE1 PHE 30 2HE PHE 30 -6.653 -7.336 6.950 204 HE2 PHE 30 1HE PHE 30 -5.732 -9.124 3.214 205 HZ PHE 30 HZ PHE 30 -5.756 -9.217 5.662 206 H LEU 31 H LEU 31 -5.675 -2.465 0.884 207 HA LEU 31 HA LEU 31 -7.318 -0.202 0.990 208 HB2 LEU 31 1HB LEU 31 -6.029 -1.106 -1.548 209 HB3 LEU 31 2HB LEU 31 -6.192 0.509 -0.885 210 HG LEU 31 HG LEU 31 -4.234 -1.648 -0.091 211 HD11 LEU 31 1HD1 LEU 31 -2.818 -0.531 -1.378 212 HD12 LEU 31 2HD1 LEU 31 -4.129 0.580 -1.843 213 HD13 LEU 31 3HD1 LEU 31 -3.099 0.955 -0.441 214 HD21 LEU 31 1HD2 LEU 31 -5.056 0.805 1.457 215 HD22 LEU 31 2HD2 LEU 31 -4.874 -0.874 2.020 216 HD23 LEU 31 3HD2 LEU 31 -3.434 0.091 1.619 217 HA PRO 32 HA PRO 32 -10.867 -1.447 -1.124 218 HB2 PRO 32 1HB PRO 32 -11.599 0.780 -2.529 219 HB3 PRO 32 2HB PRO 32 -11.896 0.589 -0.812 220 HG2 PRO 32 1HG PRO 32 -9.861 2.251 -2.167 221 HG3 PRO 32 2HG PRO 32 -10.452 2.364 -0.521 222 HD2 PRO 32 1HD PRO 32 -7.952 1.246 -1.374 223 HD3 PRO 32 2HD PRO 32 -8.594 1.254 0.256 224 H SER 33 H SER 33 -11.794 -2.383 -2.960 225 HA SER 33 HA SER 33 -9.804 -2.547 -5.059 226 HB2 SER 33 1HB SER 33 -10.671 -4.655 -4.018 227 HB3 SER 33 2HB SER 33 -12.287 -4.250 -4.563 228 HG SER 33 HG SER 33 -10.518 -5.644 -5.916 229 H ASP 34 H ASP 34 -12.920 -1.186 -4.258 230 HA ASP 34 HA ASP 34 -14.174 -1.166 -6.674 231 HB2 ASP 34 1HB ASP 34 -14.086 1.110 -4.637 232 HB3 ASP 34 2HB ASP 34 -15.337 0.870 -5.841 233 H GLY 35 H GLY 35 -11.451 0.769 -5.400 234 HA2 GLY 35 1HA GLY 35 -9.976 1.516 -7.295 235 HA3 GLY 35 2HA GLY 35 -11.395 2.350 -7.898 236 H GLN 36 H GLN 36 -11.939 2.525 -4.673 237 HA GLN 36 HA GLN 36 -11.509 5.176 -4.444 238 HB2 GLN 36 1HB GLN 36 -11.932 2.918 -2.554 239 HB3 GLN 36 2HB GLN 36 -11.216 4.344 -1.830 240 HG2 GLN 36 1HG GLN 36 -13.060 5.752 -2.741 241 HG3 GLN 36 2HG GLN 36 -13.767 4.346 -3.512 242 HE21 GLN 36 1HE2 GLN 36 -14.580 2.632 -2.229 243 HE22 GLN 36 2HE2 GLN 36 -15.127 2.892 -0.606 244 H ALA 37 H ALA 37 -9.982 6.102 -2.485 245 HA ALA 37 HA ALA 37 -7.287 5.035 -2.952 246 HB1 ALA 37 1HB ALA 37 -7.616 7.980 -2.619 247 HB2 ALA 37 2HB ALA 37 -6.481 7.063 -3.639 248 HB3 ALA 37 3HB ALA 37 -8.166 7.293 -4.167 249 H LEU 38 H LEU 38 -6.369 4.444 -1.057 250 HA LEU 38 HA LEU 38 -7.556 5.480 1.386 251 HB2 LEU 38 1HB LEU 38 -6.992 2.989 0.732 252 HB3 LEU 38 2HB LEU 38 -5.394 3.419 1.307 253 HG LEU 38 HG LEU 38 -6.284 3.988 3.504 254 HD11 LEU 38 1HD1 LEU 38 -8.411 4.880 3.143 255 HD12 LEU 38 2HD1 LEU 38 -8.951 3.469 2.202 256 HD13 LEU 38 3HD1 LEU 38 -8.728 3.332 3.963 257 HD21 LEU 38 1HD2 LEU 38 -5.633 1.799 3.573 258 HD22 LEU 38 2HD2 LEU 38 -7.357 1.617 3.980 259 HD23 LEU 38 3HD2 LEU 38 -6.794 1.291 2.323 260 H VAL 39 H VAL 39 -6.784 7.454 1.968 261 HA VAL 39 HA VAL 39 -4.114 8.224 1.317 262 HB VAL 39 HB VAL 39 -6.524 9.410 2.568 263 HG11 VAL 39 1HG1 VAL 39 -4.891 11.442 3.122 264 HG12 VAL 39 2HG1 VAL 39 -5.263 10.178 4.319 265 HG13 VAL 39 3HG1 VAL 39 -3.740 10.113 3.400 266 HG21 VAL 39 1HG2 VAL 39 -6.413 10.094 0.400 267 HG22 VAL 39 2HG2 VAL 39 -5.397 11.370 1.110 268 HG23 VAL 39 3HG2 VAL 39 -4.640 9.961 0.329 269 H LEU 40 H LEU 40 -2.298 7.763 2.441 270 HA LEU 40 HA LEU 40 -2.650 6.661 5.120 271 HB2 LEU 40 1HB LEU 40 -1.056 5.987 2.895 272 HB3 LEU 40 2HB LEU 40 0.047 6.588 4.117 273 HG LEU 40 HG LEU 40 -1.013 4.965 5.745 274 HD11 LEU 40 1HD1 LEU 40 -2.208 3.025 4.744 275 HD12 LEU 40 2HD1 LEU 40 -3.120 4.551 4.665 276 HD13 LEU 40 3HD1 LEU 40 -2.306 3.924 3.211 277 HD21 LEU 40 1HD2 LEU 40 0.409 3.213 5.136 278 HD22 LEU 40 2HD2 LEU 40 0.215 3.530 3.395 279 HD23 LEU 40 3HD2 LEU 40 1.155 4.655 4.405 280 H GLY 41 H GLY 41 -0.577 7.235 6.584 281 HA2 GLY 41 1HA GLY 41 0.940 9.348 6.650 282 HA3 GLY 41 2HA GLY 41 -0.607 10.166 6.749 283 H ARG 42 H ARG 42 -0.186 10.954 8.892 284 HA ARG 42 HA ARG 42 0.575 9.224 10.940 285 HB2 ARG 42 1HB ARG 42 -0.076 12.045 10.608 286 HB3 ARG 42 2HB ARG 42 -0.863 11.444 12.054 287 HG2 ARG 42 1HG ARG 42 1.435 10.379 12.661 288 HG3 ARG 42 2HG ARG 42 2.108 11.383 11.392 289 HD2 ARG 42 1HD ARG 42 2.307 12.543 13.557 290 HD3 ARG 42 2HD ARG 42 1.205 13.425 12.518 291 HE ARG 42 HE ARG 42 0.478 11.859 14.926 292 HH11 ARG 42 2HH2 ARG 42 -0.620 13.678 12.121 293 HH12 ARG 42 1HH2 ARG 42 -2.214 13.931 12.750 294 HH21 ARG 42 2HH1 ARG 42 -1.625 12.192 15.756 295 HH22 ARG 42 1HH1 ARG 42 -2.790 13.080 14.831 296 H GLY 43 H GLY 43 -0.661 8.029 12.434 297 HA2 GLY 43 1HA GLY 43 -3.086 8.257 13.415 298 HA3 GLY 43 2HA GLY 43 -3.502 7.754 11.789 299 HA PRO 44 HA PRO 44 -2.619 4.009 14.255 300 HB2 PRO 44 1HB PRO 44 -5.088 2.843 14.132 301 HB3 PRO 44 2HB PRO 44 -4.558 3.824 15.484 302 HG2 PRO 44 1HG PRO 44 -6.445 4.520 13.318 303 HG3 PRO 44 2HG PRO 44 -6.228 5.293 14.875 304 HD2 PRO 44 1HD PRO 44 -5.289 6.248 12.339 305 HD3 PRO 44 2HD PRO 44 -4.973 6.960 13.909 306 H LEU 45 H LEU 45 -3.602 4.821 11.176 307 HA LEU 45 HA LEU 45 -3.935 2.355 9.993 308 HB2 LEU 45 1HB LEU 45 -2.915 5.008 9.029 309 HB3 LEU 45 2HB LEU 45 -2.939 3.620 7.960 310 HG LEU 45 HG LEU 45 -5.464 3.455 8.719 311 HD11 LEU 45 1HD1 LEU 45 -4.861 6.390 9.179 312 HD12 LEU 45 2HD1 LEU 45 -6.479 5.652 9.112 313 HD13 LEU 45 3HD1 LEU 45 -5.351 5.205 10.414 314 HD21 LEU 45 1HD2 LEU 45 -4.625 3.813 6.423 315 HD22 LEU 45 2HD2 LEU 45 -6.108 4.735 6.768 316 HD23 LEU 45 3HD2 LEU 45 -4.531 5.560 6.749 317 H THR 46 H THR 46 -0.865 4.299 10.184 318 HA THR 46 HA THR 46 0.575 1.741 9.934 319 HB THR 46 HB THR 46 2.313 3.030 8.812 320 HG1 THR 46 1HG THR 46 0.582 5.321 9.387 321 HG21 THR 46 1HG2 THR 46 0.437 2.631 7.263 322 HG22 THR 46 2HG2 THR 46 -0.455 4.013 7.942 323 HG23 THR 46 3HG2 THR 46 1.038 4.287 7.011 324 H GLN 47 H GLN 47 -0.549 3.728 12.262 325 HA GLN 47 HA GLN 47 -0.005 4.070 14.336 326 HB2 GLN 47 1HB GLN 47 2.053 1.938 13.697 327 HB3 GLN 47 2HB GLN 47 2.043 2.708 15.271 328 HG2 GLN 47 1HG GLN 47 -0.666 1.907 14.449 329 HG3 GLN 47 2HG GLN 47 0.432 0.542 14.450 330 HE21 GLN 47 1HE2 GLN 47 -1.817 1.261 16.209 331 HE22 GLN 47 2HE2 GLN 47 -1.209 1.263 17.831 332 H VAL 48 H VAL 48 1.306 5.527 11.952 333 HA VAL 48 HA VAL 48 3.830 6.388 13.026 334 HB VAL 48 HB VAL 48 2.156 7.136 10.632 335 HG11 VAL 48 1HG1 VAL 48 4.399 8.368 9.997 336 HG12 VAL 48 2HG1 VAL 48 3.160 9.186 10.979 337 HG13 VAL 48 3HG1 VAL 48 4.592 8.478 11.763 338 HG21 VAL 48 1HG2 VAL 48 3.478 5.747 9.426 339 HG22 VAL 48 2HG2 VAL 48 4.939 6.147 10.361 340 HG23 VAL 48 3HG2 VAL 48 3.760 4.980 11.007 341 H THR 49 H THR 49 4.240 8.216 14.222 342 HA THR 49 HA THR 49 1.988 10.060 14.622 343 HB THR 49 HB THR 49 2.638 10.062 17.075 344 HG1 THR 49 1HG THR 49 4.834 9.156 16.432 345 HG21 THR 49 1HG2 THR 49 1.071 8.156 15.776 346 HG22 THR 49 2HG2 THR 49 2.270 7.148 16.622 347 HG23 THR 49 3HG2 THR 49 1.253 8.282 17.543 348 H ASP 50 H ASP 50 4.471 10.053 12.896 349 HA ASP 50 HA ASP 50 6.165 11.931 14.198 350 HB2 ASP 50 1HB ASP 50 7.172 10.411 12.606 351 HB3 ASP 50 2HB ASP 50 5.992 10.807 11.373 352 H ARG 51 H ARG 51 6.124 14.209 13.897 353 HA ARG 51 HA ARG 51 3.770 15.350 13.057 354 HB2 ARG 51 1HB ARG 51 6.569 16.505 13.449 355 HB3 ARG 51 2HB ARG 51 5.192 17.521 13.073 356 HG2 ARG 51 1HG ARG 51 4.071 16.967 15.119 357 HG3 ARG 51 2HG ARG 51 5.089 15.569 15.401 358 HD2 ARG 51 1HD ARG 51 7.056 17.373 15.432 359 HD3 ARG 51 2HD ARG 51 5.756 18.500 15.767 360 HE ARG 51 HE ARG 51 5.349 16.343 17.528 361 HH11 ARG 51 2HH2 ARG 51 7.881 18.709 16.918 362 HH12 ARG 51 1HH2 ARG 51 8.451 18.710 18.554 363 HH21 ARG 51 2HH1 ARG 51 6.100 16.344 19.686 364 HH22 ARG 51 1HH1 ARG 51 7.431 17.356 20.139 365 H LYS 52 H LYS 52 6.979 15.000 11.415 366 HA LYS 52 HA LYS 52 6.514 16.512 9.184 367 HB2 LYS 52 1HB LYS 52 8.082 13.934 9.479 368 HB3 LYS 52 2HB LYS 52 8.171 14.989 8.084 369 HG2 LYS 52 1HG LYS 52 8.479 16.589 10.488 370 HG3 LYS 52 2HG LYS 52 9.585 15.232 10.566 371 HD2 LYS 52 1HD LYS 52 10.474 15.801 8.312 372 HD3 LYS 52 2HD LYS 52 9.334 17.126 8.181 373 HE2 LYS 52 1HE LYS 52 11.340 16.945 10.470 374 HE3 LYS 52 2HE LYS 52 11.736 17.719 8.948 375 HZ1 LYS 52 1HZ LYS 52 9.594 19.007 9.358 376 HZ2 LYS 52 2HZ LYS 52 9.730 18.515 10.909 377 HZ3 LYS 52 3HZ LYS 52 10.913 19.413 10.231 378 H CYS 53 H CYS 53 5.188 13.348 10.095 379 HA CYS 53 HA CYS 53 4.294 12.678 7.506 380 HB2 CYS 53 1HB CYS 53 4.197 11.529 10.164 381 HB3 CYS 53 2HB CYS 53 2.628 11.399 9.394 382 HG CYS 53 HG CYS 53 3.143 9.858 7.620 383 H SER 54 H SER 54 2.330 13.185 6.483 384 HA SER 54 HA SER 54 0.649 15.037 7.983 385 HB2 SER 54 1HB SER 54 1.679 15.018 5.203 386 HB3 SER 54 2HB SER 54 -0.035 15.367 5.309 387 HG SER 54 HG SER 54 0.402 17.128 6.715 388 H ARG 55 H ARG 55 -1.542 14.549 8.219 389 HA ARG 55 HA ARG 55 -2.464 12.103 8.191 390 HB2 ARG 55 1HB ARG 55 -3.746 14.776 7.831 391 HB3 ARG 55 2HB ARG 55 -4.758 13.422 7.368 392 HG2 ARG 55 1HG ARG 55 -3.765 12.475 9.744 393 HG3 ARG 55 2HG ARG 55 -3.741 14.196 10.074 394 HD2 ARG 55 1HD ARG 55 -6.169 14.320 9.336 395 HD3 ARG 55 2HD ARG 55 -6.167 12.576 9.160 396 HE ARG 55 HE ARG 55 -5.195 13.213 11.774 397 HH11 ARG 55 2HH2 ARG 55 -8.176 13.331 9.909 398 HH12 ARG 55 1HH2 ARG 55 -9.201 13.174 11.297 399 HH21 ARG 55 2HH1 ARG 55 -6.546 13.006 13.605 400 HH22 ARG 55 1HH1 ARG 55 -8.267 12.988 13.413 401 H ASN 56 H ASN 56 -2.183 14.237 5.328 402 HA ASN 56 HA ASN 56 -3.057 11.969 3.716 403 HB2 ASN 56 1HB ASN 56 -3.257 14.929 2.958 404 HB3 ASN 56 2HB ASN 56 -3.904 13.579 2.046 405 HD21 ASN 56 1HD2 ASN 56 -6.008 13.557 2.162 406 HD22 ASN 56 2HD2 ASN 56 -6.989 13.806 3.567 407 H GLN 57 H GLN 57 -0.498 11.719 4.239 408 HA GLN 57 HA GLN 57 1.248 13.465 2.946 409 HB2 GLN 57 1HB GLN 57 2.061 12.063 4.737 410 HB3 GLN 57 2HB GLN 57 1.536 10.599 3.928 411 HG2 GLN 57 1HG GLN 57 3.998 10.959 3.706 412 HG3 GLN 57 2HG GLN 57 3.199 10.914 2.147 413 HE21 GLN 57 1HE2 GLN 57 4.992 12.035 1.294 414 HE22 GLN 57 2HE2 GLN 57 5.166 13.750 1.464 415 H VAL 58 H VAL 58 -0.211 10.291 2.002 416 HA VAL 58 HA VAL 58 0.204 11.023 -0.774 417 HB VAL 58 HB VAL 58 1.084 8.666 -1.182 418 HG11 VAL 58 1HG1 VAL 58 2.755 10.792 0.187 419 HG12 VAL 58 2HG1 VAL 58 3.448 9.359 -0.609 420 HG13 VAL 58 3HG1 VAL 58 2.514 10.540 -1.558 421 HG21 VAL 58 1HG2 VAL 58 0.798 7.488 0.803 422 HG22 VAL 58 2HG2 VAL 58 2.527 7.906 0.856 423 HG23 VAL 58 3HG2 VAL 58 1.354 8.844 1.812 424 H GLU 59 H GLU 59 -1.112 9.634 -2.241 425 HA GLU 59 HA GLU 59 -3.386 8.584 -0.747 426 HB2 GLU 59 1HB GLU 59 -4.131 10.463 -2.017 427 HB3 GLU 59 2HB GLU 59 -3.193 10.001 -3.423 428 HG2 GLU 59 1HG GLU 59 -4.691 8.286 -4.039 429 HG3 GLU 59 2HG GLU 59 -5.306 8.092 -2.409 430 H LEU 60 H LEU 60 -3.221 6.378 -0.639 431 HA LEU 60 HA LEU 60 -1.948 4.966 -2.818 432 HB2 LEU 60 1HB LEU 60 -2.889 4.257 -0.059 433 HB3 LEU 60 2HB LEU 60 -2.543 2.997 -1.227 434 HG LEU 60 HG LEU 60 -0.275 4.521 -1.413 435 HD11 LEU 60 1HD1 LEU 60 -1.192 5.903 0.519 436 HD12 LEU 60 2HD1 LEU 60 -0.894 4.477 1.542 437 HD13 LEU 60 3HD1 LEU 60 0.460 5.264 0.696 438 HD21 LEU 60 1HD2 LEU 60 -0.152 2.172 -1.305 439 HD22 LEU 60 2HD2 LEU 60 0.727 2.760 0.127 440 HD23 LEU 60 3HD2 LEU 60 -0.924 2.119 0.298 441 H ILE 61 H ILE 61 -2.962 3.516 -4.229 442 HA ILE 61 HA ILE 61 -5.859 3.280 -3.963 443 HB ILE 61 HB ILE 61 -4.387 4.353 -6.364 444 HG12 ILE 61 1HG1 ILE 61 -6.770 5.502 -4.895 445 HG13 ILE 61 2HG1 ILE 61 -5.115 5.901 -4.481 446 HG21 ILE 61 1HG2 ILE 61 -5.908 3.528 -7.751 447 HG22 ILE 61 2HG2 ILE 61 -6.556 2.558 -6.407 448 HG23 ILE 61 3HG2 ILE 61 -7.234 4.167 -6.751 449 HD11 ILE 61 1HD1 ILE 61 -6.706 6.655 -6.903 450 HD12 ILE 61 2HD1 ILE 61 -5.472 7.584 -6.017 451 HD13 ILE 61 3HD1 ILE 61 -4.978 6.314 -7.163 452 H ALA 62 H ALA 62 -6.371 1.164 -4.000 453 HA ALA 62 HA ALA 62 -4.408 -0.747 -4.784 454 HB1 ALA 62 1HB ALA 62 -6.967 -1.954 -4.472 455 HB2 ALA 62 2HB ALA 62 -5.627 -1.910 -3.301 456 HB3 ALA 62 3HB ALA 62 -6.869 -0.635 -3.281 457 H ASP 63 H ASP 63 -4.158 -1.785 -6.722 458 HA ASP 63 HA ASP 63 -6.308 -1.387 -8.646 459 HB2 ASP 63 1HB ASP 63 -3.354 -0.875 -8.881 460 HB3 ASP 63 2HB ASP 63 -4.145 -1.566 -10.284 461 HA PRO 64 HA PRO 64 -5.291 -5.793 -8.293 462 HB2 PRO 64 1HB PRO 64 -7.854 -6.739 -8.356 463 HB3 PRO 64 2HB PRO 64 -7.007 -6.364 -6.868 464 HG2 PRO 64 1HG PRO 64 -9.144 -4.834 -8.221 465 HG3 PRO 64 2HG PRO 64 -8.593 -4.717 -6.562 466 HD2 PRO 64 1HD PRO 64 -7.992 -2.904 -8.702 467 HD3 PRO 64 2HD PRO 64 -7.348 -2.853 -7.073 468 H GLU 65 H GLU 65 -6.299 -3.799 -10.638 469 HA GLU 65 HA GLU 65 -7.211 -5.637 -12.525 470 HB2 GLU 65 1HB GLU 65 -6.648 -3.792 -14.169 471 HB3 GLU 65 2HB GLU 65 -7.675 -3.295 -12.840 472 HG2 GLU 65 1HG GLU 65 -5.872 -2.188 -11.705 473 HG3 GLU 65 2HG GLU 65 -4.653 -2.996 -12.671 474 H SER 66 H SER 66 -3.977 -4.607 -11.456 475 HA SER 66 HA SER 66 -2.879 -6.766 -12.986 476 HB2 SER 66 1HB SER 66 -2.051 -3.870 -13.437 477 HB3 SER 66 2HB SER 66 -1.025 -5.221 -13.879 478 HG SER 66 HG SER 66 -2.294 -4.560 -15.690 479 H ARG 67 H ARG 67 -3.331 -6.274 -10.162 480 HA ARG 67 HA ARG 67 -2.346 -6.136 -8.228 481 HB2 ARG 67 1HB ARG 67 -0.187 -7.572 -9.842 482 HB3 ARG 67 2HB ARG 67 -0.096 -7.412 -8.099 483 HG2 ARG 67 1HG ARG 67 -1.436 -9.226 -7.884 484 HG3 ARG 67 2HG ARG 67 -2.739 -8.332 -8.643 485 HD2 ARG 67 1HD ARG 67 -2.631 -9.828 -10.354 486 HD3 ARG 67 2HD ARG 67 -1.119 -9.074 -10.818 487 HE ARG 67 HE ARG 67 -0.790 -11.051 -8.686 488 HH11 ARG 67 2HH2 ARG 67 -0.992 -10.594 -12.169 489 HH12 ARG 67 1HH2 ARG 67 -0.126 -12.048 -12.538 490 HH21 ARG 67 2HH1 ARG 67 0.352 -12.969 -9.172 491 HH22 ARG 67 1HH1 ARG 67 0.643 -13.408 -10.822 492 H THR 68 H THR 68 -2.222 -3.663 -8.730 493 HA THR 68 HA THR 68 0.518 -2.824 -8.217 494 HB THR 68 HB THR 68 0.009 -0.947 -10.017 495 HG1 THR 68 1HG THR 68 -1.919 -1.423 -10.990 496 HG21 THR 68 1HG2 THR 68 1.790 -2.568 -10.478 497 HG22 THR 68 2HG2 THR 68 0.596 -3.857 -10.765 498 HG23 THR 68 3HG2 THR 68 0.735 -2.501 -11.910 499 H VAL 69 H VAL 69 0.421 -0.252 -7.893 500 HA VAL 69 HA VAL 69 -2.070 0.573 -6.711 501 HB VAL 69 HB VAL 69 0.396 0.075 -5.035 502 HG11 VAL 69 1HG1 VAL 69 -1.528 0.872 -3.271 503 HG12 VAL 69 2HG1 VAL 69 -0.266 1.936 -3.939 504 HG13 VAL 69 3HG1 VAL 69 -1.890 1.915 -4.668 505 HG21 VAL 69 1HG2 VAL 69 -2.365 -1.154 -5.108 506 HG22 VAL 69 2HG2 VAL 69 -0.781 -1.959 -5.208 507 HG23 VAL 69 3HG2 VAL 69 -1.325 -1.252 -3.668 508 H ALA 70 H ALA 70 -2.253 2.813 -6.706 509 HA ALA 70 HA ALA 70 0.037 4.197 -7.890 510 HB1 ALA 70 1HB ALA 70 -2.738 5.346 -7.610 511 HB2 ALA 70 2HB ALA 70 -1.510 5.649 -8.862 512 HB3 ALA 70 3HB ALA 70 -2.412 4.115 -8.853 513 H VAL 71 H VAL 71 0.915 6.077 -6.939 514 HA VAL 71 HA VAL 71 -0.112 6.689 -4.258 515 HB VAL 71 HB VAL 71 2.775 6.359 -5.100 516 HG11 VAL 71 1HG1 VAL 71 1.568 7.870 -2.941 517 HG12 VAL 71 2HG1 VAL 71 2.596 6.565 -2.302 518 HG13 VAL 71 3HG1 VAL 71 3.275 7.759 -3.434 519 HG21 VAL 71 1HG2 VAL 71 1.866 4.193 -4.799 520 HG22 VAL 71 2HG2 VAL 71 2.707 4.574 -3.277 521 HG23 VAL 71 3HG2 VAL 71 0.934 4.694 -3.368 522 H LYS 72 H LYS 72 -0.649 8.800 -4.055 523 HA LYS 72 HA LYS 72 0.697 10.674 -5.873 524 HB2 LYS 72 1HB LYS 72 -1.521 10.361 -6.715 525 HB3 LYS 72 2HB LYS 72 -2.229 10.512 -5.120 526 HG2 LYS 72 1HG LYS 72 -2.107 12.809 -5.131 527 HG3 LYS 72 2HG LYS 72 -0.540 12.828 -5.914 528 HD2 LYS 72 1HD LYS 72 -1.559 13.369 -7.864 529 HD3 LYS 72 2HD LYS 72 -2.332 11.796 -7.866 530 HE2 LYS 72 1HE LYS 72 -4.347 12.621 -7.055 531 HE3 LYS 72 2HE LYS 72 -3.579 13.865 -6.088 532 HZ1 LYS 72 1HZ LYS 72 -4.784 14.296 -8.418 533 HZ2 LYS 72 2HZ LYS 72 -3.658 15.289 -7.775 534 HZ3 LYS 72 3HZ LYS 72 -3.229 14.192 -8.907 535 H GLN 73 H GLN 73 1.895 12.150 -4.809 536 HA GLN 73 HA GLN 73 1.676 12.291 -1.988 537 HB2 GLN 73 1HB GLN 73 3.878 12.447 -2.941 538 HB3 GLN 73 2HB GLN 73 3.398 13.719 -4.046 539 HG2 GLN 73 1HG GLN 73 3.208 15.340 -2.277 540 HG3 GLN 73 2HG GLN 73 3.226 14.105 -1.033 541 HE21 GLN 73 1HE2 GLN 73 4.946 16.511 -1.857 542 HE22 GLN 73 2HE2 GLN 73 6.578 15.936 -1.772 543 H LEU 74 H LEU 74 0.245 13.545 -0.880 544 HA LEU 74 HA LEU 74 -0.654 16.005 -2.214 545 HB2 LEU 74 1HB LEU 74 -2.344 14.601 -0.195 546 HB3 LEU 74 2HB LEU 74 -2.810 15.677 -1.498 547 HG LEU 74 HG LEU 74 -1.599 13.219 -2.506 548 HD11 LEU 74 1HD1 LEU 74 -2.638 11.621 -1.373 549 HD12 LEU 74 2HD1 LEU 74 -3.193 12.854 -0.215 550 HD13 LEU 74 3HD1 LEU 74 -4.215 12.414 -1.604 551 HD21 LEU 74 1HD2 LEU 74 -3.791 13.180 -3.776 552 HD22 LEU 74 2HD2 LEU 74 -4.199 14.698 -2.941 553 HD23 LEU 74 3HD2 LEU 74 -2.773 14.622 -4.004 554 H GLY 75 H GLY 75 1.524 15.000 -0.069 555 HA2 GLY 75 1HA GLY 75 0.779 16.833 2.102 556 HA3 GLY 75 2HA GLY 75 2.039 15.615 2.132 557 H VAL 76 H VAL 76 3.754 16.997 2.732 558 HA VAL 76 HA VAL 76 4.435 19.010 0.700 559 HB VAL 76 HB VAL 76 3.943 20.280 2.553 560 HG11 VAL 76 1HG1 VAL 76 3.515 18.379 4.081 561 HG12 VAL 76 2HG1 VAL 76 5.267 18.222 4.353 562 HG13 VAL 76 3HG1 VAL 76 4.414 19.696 4.871 563 HG21 VAL 76 1HG2 VAL 76 6.254 20.703 1.745 564 HG22 VAL 76 2HG2 VAL 76 6.035 21.108 3.465 565 HG23 VAL 76 3HG2 VAL 76 6.869 19.605 3.004 566 H ASN 77 H ASN 77 5.721 16.726 3.208 567 HA ASN 77 HA ASN 77 8.331 16.858 2.277 568 HB2 ASN 77 1HB ASN 77 6.762 14.815 3.907 569 HB3 ASN 77 2HB ASN 77 8.434 14.507 3.481 570 HD21 ASN 77 1HD2 ASN 77 6.320 15.988 5.627 571 HD22 ASN 77 2HD2 ASN 77 7.432 16.957 6.535 572 HA PRO 78 HA PRO 78 7.920 14.226 -1.220 573 HB2 PRO 78 1HB PRO 78 10.556 13.754 -1.763 574 HB3 PRO 78 2HB PRO 78 9.719 15.208 -2.268 575 HG2 PRO 78 1HG PRO 78 11.669 14.860 -0.073 576 HG3 PRO 78 2HG PRO 78 11.154 16.339 -0.859 577 HD2 PRO 78 1HD PRO 78 10.331 15.389 1.719 578 HD3 PRO 78 2HD PRO 78 9.730 16.807 0.884 579 H SER 79 H SER 79 7.252 12.189 -1.463 580 HA SER 79 HA SER 79 8.269 10.390 0.546 581 HB2 SER 79 1HB SER 79 5.927 10.349 -1.373 582 HB3 SER 79 2HB SER 79 6.451 8.861 -0.609 583 HG SER 79 HG SER 79 6.277 10.121 1.487 584 H THR 80 H THR 80 8.877 8.103 -0.128 585 HA THR 80 HA THR 80 10.123 8.117 -2.800 586 HB THR 80 HB THR 80 11.166 7.006 -0.141 587 HG1 THR 80 1HG THR 80 12.117 9.034 -2.034 588 HG21 THR 80 1HG2 THR 80 11.921 5.612 -2.081 589 HG22 THR 80 2HG2 THR 80 12.429 7.091 -2.933 590 HG23 THR 80 3HG2 THR 80 13.260 6.594 -1.439 591 H VAL 81 H VAL 81 9.133 6.750 -4.135 592 HA VAL 81 HA VAL 81 7.768 4.463 -2.939 593 HB VAL 81 HB VAL 81 7.598 5.847 -5.615 594 HG11 VAL 81 1HG1 VAL 81 6.793 3.110 -4.844 595 HG12 VAL 81 2HG1 VAL 81 5.520 4.074 -5.631 596 HG13 VAL 81 3HG1 VAL 81 7.078 3.816 -6.453 597 HG21 VAL 81 1HG2 VAL 81 5.967 7.025 -4.660 598 HG22 VAL 81 2HG2 VAL 81 5.086 5.523 -4.293 599 HG23 VAL 81 3HG2 VAL 81 6.251 6.180 -3.119 600 H GLY 82 H GLY 82 9.468 3.024 -2.505 601 HA2 GLY 82 1HA GLY 82 10.603 1.150 -3.211 602 HA3 GLY 82 2HA GLY 82 10.554 1.717 -4.869 603 H VAL 83 H VAL 83 12.189 3.121 -5.679 604 HA VAL 83 HA VAL 83 14.298 3.825 -3.779 605 HB VAL 83 HB VAL 83 14.839 1.668 -4.874 606 HG11 VAL 83 1HG1 VAL 83 13.931 3.049 -7.217 607 HG12 VAL 83 2HG1 VAL 83 15.632 2.579 -7.451 608 HG13 VAL 83 3HG1 VAL 83 14.416 1.346 -7.038 609 HG21 VAL 83 1HG2 VAL 83 17.034 2.828 -6.047 610 HG22 VAL 83 2HG2 VAL 83 16.470 4.120 -4.960 611 HG23 VAL 83 3HG2 VAL 83 16.849 2.508 -4.306 612 H GLN 84 H GLN 84 11.982 5.174 -5.286 613 HA GLN 84 HA GLN 84 13.685 7.132 -6.618 614 HB2 GLN 84 1HB GLN 84 12.467 6.074 -8.387 615 HB3 GLN 84 2HB GLN 84 10.978 6.046 -7.463 616 HG2 GLN 84 1HG GLN 84 10.546 8.327 -7.809 617 HG3 GLN 84 2HG GLN 84 12.240 8.730 -8.013 618 HE21 GLN 84 1HE2 GLN 84 11.556 9.902 -9.877 619 HE22 GLN 84 2HE2 GLN 84 11.309 9.108 -11.396 620 H GLU 85 H GLU 85 13.166 9.354 -6.249 621 HA GLU 85 HA GLU 85 11.563 9.704 -3.878 622 HB2 GLU 85 1HB GLU 85 13.969 10.833 -4.810 623 HB3 GLU 85 2HB GLU 85 12.802 12.130 -4.974 624 HG2 GLU 85 1HG GLU 85 13.011 12.510 -2.748 625 HG3 GLU 85 2HG GLU 85 12.207 10.979 -2.462 626 H LEU 86 H LEU 86 9.629 10.863 -3.794 627 HA LEU 86 HA LEU 86 8.517 11.550 -6.401 628 HB2 LEU 86 1HB LEU 86 7.367 10.875 -3.715 629 HB3 LEU 86 2HB LEU 86 6.405 11.747 -4.892 630 HG LEU 86 HG LEU 86 7.493 8.943 -5.054 631 HD11 LEU 86 1HD1 LEU 86 4.779 10.230 -5.072 632 HD12 LEU 86 2HD1 LEU 86 5.023 8.630 -5.813 633 HD13 LEU 86 3HD1 LEU 86 5.393 8.878 -4.090 634 HD21 LEU 86 1HD2 LEU 86 6.552 8.935 -7.424 635 HD22 LEU 86 2HD2 LEU 86 6.639 10.711 -7.346 636 HD23 LEU 86 3HD2 LEU 86 8.120 9.739 -7.174 637 H LYS 87 H LYS 87 6.639 13.465 -5.761 638 HA LYS 87 HA LYS 87 8.026 15.584 -4.352 639 HB2 LYS 87 1HB LYS 87 7.978 15.375 -7.258 640 HB3 LYS 87 2HB LYS 87 7.202 16.847 -6.708 641 HG2 LYS 87 1HG LYS 87 9.154 17.602 -5.563 642 HG3 LYS 87 2HG LYS 87 9.869 16.003 -5.528 643 HD2 LYS 87 1HD LYS 87 9.595 16.391 -8.251 644 HD3 LYS 87 2HD LYS 87 9.877 18.033 -7.710 645 HE2 LYS 87 1HE LYS 87 11.771 16.572 -6.253 646 HE3 LYS 87 2HE LYS 87 11.743 15.739 -7.794 647 HZ1 LYS 87 1HZ LYS 87 13.276 17.492 -7.947 648 HZ2 LYS 87 2HZ LYS 87 11.985 17.959 -8.832 649 HZ3 LYS 87 3HZ LYS 87 12.232 18.597 -7.349 650 HA PRO 88 HA PRO 88 3.980 16.832 -3.491 651 HB2 PRO 88 1HB PRO 88 3.995 19.562 -3.601 652 HB3 PRO 88 2HB PRO 88 4.642 18.654 -2.249 653 HG2 PRO 88 1HG PRO 88 6.099 20.066 -4.400 654 HG3 PRO 88 2HG PRO 88 6.693 19.529 -2.841 655 HD2 PRO 88 1HD PRO 88 7.164 18.281 -5.380 656 HD3 PRO 88 2HD PRO 88 7.660 17.682 -3.810 657 H GLY 89 H GLY 89 2.324 16.155 -4.695 658 HA2 GLY 89 1HA GLY 89 0.581 16.760 -6.129 659 HA3 GLY 89 2HA GLY 89 1.621 17.920 -6.931 660 H LEU 90 H LEU 90 3.492 15.159 -6.408 661 HA LEU 90 HA LEU 90 3.227 14.421 -9.186 662 HB2 LEU 90 1HB LEU 90 5.361 14.720 -7.612 663 HB3 LEU 90 2HB LEU 90 5.069 13.017 -7.320 664 HG LEU 90 HG LEU 90 5.435 12.436 -9.578 665 HD11 LEU 90 1HD1 LEU 90 4.270 13.888 -10.924 666 HD12 LEU 90 2HD1 LEU 90 4.935 15.337 -10.132 667 HD13 LEU 90 3HD1 LEU 90 5.945 14.393 -11.253 668 HD21 LEU 90 1HD2 LEU 90 7.395 13.645 -8.068 669 HD22 LEU 90 2HD2 LEU 90 7.652 12.696 -9.552 670 HD23 LEU 90 3HD2 LEU 90 7.539 14.471 -9.638 671 H SER 91 H SER 91 3.608 11.792 -9.415 672 HA SER 91 HA SER 91 2.012 10.349 -7.564 673 HB2 SER 91 1HB SER 91 0.779 9.875 -10.152 674 HB3 SER 91 2HB SER 91 0.020 10.308 -8.633 675 HG SER 91 HG SER 91 0.321 12.518 -9.082 676 H GLY 92 H GLY 92 2.622 8.174 -7.611 677 HA2 GLY 92 1HA GLY 92 4.118 7.259 -9.988 678 HA3 GLY 92 2HA GLY 92 4.765 7.062 -8.371 679 H SER 93 H SER 93 4.683 4.699 -9.233 680 HA SER 93 HA SER 93 2.096 3.624 -8.432 681 HB2 SER 93 1HB SER 93 3.867 2.744 -10.748 682 HB3 SER 93 2HB SER 93 2.592 1.730 -10.101 683 HG SER 93 HG SER 93 2.344 4.302 -11.386 684 H LEU 94 H LEU 94 2.226 1.429 -7.448 685 HA LEU 94 HA LEU 94 4.935 0.769 -6.539 686 HB2 LEU 94 1HB LEU 94 2.762 1.767 -4.971 687 HB3 LEU 94 2HB LEU 94 3.062 0.103 -4.511 688 HG LEU 94 HG LEU 94 5.578 1.492 -4.718 689 HD11 LEU 94 1HD1 LEU 94 4.050 3.480 -4.318 690 HD12 LEU 94 2HD1 LEU 94 3.712 2.775 -2.719 691 HD13 LEU 94 3HD1 LEU 94 5.373 3.244 -3.151 692 HD21 LEU 94 1HD2 LEU 94 5.231 -0.546 -3.441 693 HD22 LEU 94 2HD2 LEU 94 5.803 0.763 -2.379 694 HD23 LEU 94 3HD2 LEU 94 4.086 0.294 -2.368 695 H SER 95 H SER 95 5.483 -1.278 -7.054 696 HA SER 95 HA SER 95 3.335 -3.000 -7.922 697 HB2 SER 95 1HB SER 95 6.351 -3.426 -8.083 698 HB3 SER 95 2HB SER 95 5.129 -4.391 -8.888 699 HG SER 95 HG SER 95 4.622 -1.854 -9.595 700 H LEU 96 H LEU 96 3.839 -5.501 -7.371 701 HA LEU 96 HA LEU 96 3.540 -5.732 -4.592 702 HB2 LEU 96 1HB LEU 96 3.433 -7.417 -6.945 703 HB3 LEU 96 2HB LEU 96 4.220 -8.245 -5.616 704 HG LEU 96 HG LEU 96 1.456 -7.004 -5.568 705 HD11 LEU 96 1HD1 LEU 96 2.367 -9.527 -6.493 706 HD12 LEU 96 2HD1 LEU 96 1.491 -9.799 -4.968 707 HD13 LEU 96 3HD1 LEU 96 0.695 -8.947 -6.312 708 HD21 LEU 96 1HD2 LEU 96 1.317 -8.222 -3.329 709 HD22 LEU 96 2HD2 LEU 96 3.094 -8.299 -3.389 710 HD23 LEU 96 3HD2 LEU 96 2.271 -6.721 -3.383 711 H GLY 97 H GLY 97 5.067 -5.524 -3.054 712 HA2 GLY 97 1HA GLY 97 7.035 -6.463 -2.079 713 HA3 GLY 97 2HA GLY 97 7.765 -6.553 -3.669 714 H ASP 98 H ASP 98 6.920 -3.925 -4.640 715 HA ASP 98 HA ASP 98 9.015 -2.417 -4.029 716 HB2 ASP 98 1HB ASP 98 6.189 -1.781 -4.844 717 HB3 ASP 98 2HB ASP 98 7.195 -0.429 -4.367 718 H VAL 99 H VAL 99 9.124 -0.289 -2.701 719 HA VAL 99 HA VAL 99 7.704 -0.674 -0.158 720 HB VAL 99 HB VAL 99 10.423 0.494 -0.773 721 HG11 VAL 99 1HG1 VAL 99 8.884 0.378 1.838 722 HG12 VAL 99 2HG1 VAL 99 10.632 0.691 1.726 723 HG13 VAL 99 3HG1 VAL 99 9.475 1.824 0.986 724 HG21 VAL 99 1HG2 VAL 99 9.554 -2.162 -0.223 725 HG22 VAL 99 2HG2 VAL 99 11.218 -1.553 -0.395 726 HG23 VAL 99 3HG2 VAL 99 10.441 -1.579 1.207 727 H LEU 100 H LEU 100 7.318 1.431 1.065 728 HA LEU 100 HA LEU 100 7.075 3.735 -0.685 729 HB2 LEU 100 1HB LEU 100 5.000 2.535 -1.048 730 HB3 LEU 100 2HB LEU 100 4.716 2.432 0.678 731 HG LEU 100 HG LEU 100 4.537 4.909 0.780 732 HD11 LEU 100 1HD1 LEU 100 5.804 4.863 -1.681 733 HD12 LEU 100 2HD1 LEU 100 4.126 5.302 -2.083 734 HD13 LEU 100 3HD1 LEU 100 5.043 6.274 -0.907 735 HD21 LEU 100 1HD2 LEU 100 2.487 4.509 -1.200 736 HD22 LEU 100 2HD2 LEU 100 2.674 3.040 -0.212 737 HD23 LEU 100 3HD2 LEU 100 2.351 4.605 0.572 738 H TYR 101 H TYR 101 8.694 4.711 0.595 739 HA TYR 101 HA TYR 101 8.598 4.711 3.409 740 HB2 TYR 101 1HB TYR 101 9.813 6.536 1.244 741 HB3 TYR 101 2HB TYR 101 10.223 6.694 2.941 742 HD1 TYR 101 1HD TYR 101 11.501 4.889 4.096 743 HD2 TYR 101 2HD TYR 101 10.753 4.781 -0.115 744 HE1 TYR 101 1HE TYR 101 13.335 3.151 3.807 745 HE2 TYR 101 2HE TYR 101 12.589 3.044 -0.389 746 HH TYR 101 HH TYR 101 14.713 2.234 2.248 747 H LEU 102 H LEU 102 6.706 5.430 4.371 748 HA LEU 102 HA LEU 102 4.915 7.211 3.594 749 HB2 LEU 102 1HB LEU 102 5.837 6.161 6.091 750 HB3 LEU 102 2HB LEU 102 5.434 7.852 6.309 751 HG LEU 102 HG LEU 102 3.353 6.572 4.779 752 HD11 LEU 102 1HD1 LEU 102 2.725 4.738 5.959 753 HD12 LEU 102 2HD1 LEU 102 4.482 4.631 6.225 754 HD13 LEU 102 3HD1 LEU 102 3.433 5.329 7.482 755 HD21 LEU 102 1HD2 LEU 102 1.935 7.419 6.584 756 HD22 LEU 102 2HD2 LEU 102 3.379 7.767 7.564 757 HD23 LEU 102 3HD2 LEU 102 3.103 8.648 6.042 758 H VAL 103 H VAL 103 7.876 8.208 5.459 759 HA VAL 103 HA VAL 103 8.230 10.474 3.776 760 HB VAL 103 HB VAL 103 6.318 11.210 5.153 761 HG11 VAL 103 1HG1 VAL 103 8.247 10.839 7.469 762 HG12 VAL 103 2HG1 VAL 103 6.693 11.701 7.562 763 HG13 VAL 103 3HG1 VAL 103 6.724 9.960 7.192 764 HG21 VAL 103 1HG2 VAL 103 8.294 12.700 4.315 765 HG22 VAL 103 2HG2 VAL 103 7.116 13.370 5.470 766 HG23 VAL 103 3HG2 VAL 103 8.707 12.813 6.043 767 H ASN 104 H ASN 104 10.065 11.920 4.830 768 HA ASN 104 HA ASN 104 12.210 11.877 5.256 769 HB2 ASN 104 1HB ASN 104 10.742 11.428 7.648 770 HB3 ASN 104 2HB ASN 104 12.095 10.319 7.753 771 HD21 ASN 104 1HD2 ASN 104 11.052 13.612 7.684 772 HD22 ASN 104 2HD2 ASN 104 12.557 14.376 8.073 773 H GLY 105 H GLY 105 11.476 9.677 3.573 774 HA2 GLY 105 1HA GLY 105 12.046 7.586 2.925 775 HA3 GLY 105 2HA GLY 105 13.638 8.067 3.477 776 H LEU 106 H LEU 106 10.976 7.901 5.810 777 HA LEU 106 HA LEU 106 12.134 5.399 6.827 778 HB2 LEU 106 1HB LEU 106 11.276 7.901 8.248 779 HB3 LEU 106 2HB LEU 106 11.268 6.355 9.074 780 HG LEU 106 HG LEU 106 13.668 7.728 7.836 781 HD11 LEU 106 1HD1 LEU 106 12.640 8.522 10.080 782 HD12 LEU 106 2HD1 LEU 106 13.341 7.025 10.741 783 HD13 LEU 106 3HD1 LEU 106 14.394 8.240 9.977 784 HD21 LEU 106 1HD2 LEU 106 13.351 4.970 9.007 785 HD22 LEU 106 2HD2 LEU 106 14.114 5.465 7.477 786 HD23 LEU 106 3HD2 LEU 106 14.915 5.820 9.027 787 H TYR 107 H TYR 107 10.228 4.798 8.764 788 HA TYR 107 HA TYR 107 8.387 3.510 8.783 789 HB2 TYR 107 1HB TYR 107 7.104 6.005 7.548 790 HB3 TYR 107 2HB TYR 107 6.441 4.992 8.816 791 HD1 TYR 107 1HD TYR 107 8.278 4.843 10.930 792 HD2 TYR 107 2HD TYR 107 7.656 8.132 8.265 793 HE1 TYR 107 1HE TYR 107 9.194 6.444 12.680 794 HE2 TYR 107 2HE TYR 107 8.574 9.721 10.024 795 HH TYR 107 HH TYR 107 10.309 8.686 12.658 796 HA PRO 108 HA PRO 108 8.141 2.848 4.248 797 HB2 PRO 108 1HB PRO 108 9.651 0.581 4.031 798 HB3 PRO 108 2HB PRO 108 10.281 2.185 3.714 799 HG2 PRO 108 1HG PRO 108 10.734 0.448 6.062 800 HG3 PRO 108 2HG PRO 108 11.661 1.835 5.528 801 HD2 PRO 108 1HD PRO 108 9.788 1.756 7.698 802 HD3 PRO 108 2HD PRO 108 10.628 3.168 7.090 803 H LEU 109 H LEU 109 7.409 0.752 3.018 804 HA LEU 109 HA LEU 109 6.015 -1.018 4.817 805 HB2 LEU 109 1HB LEU 109 4.560 0.934 3.039 806 HB3 LEU 109 2HB LEU 109 3.830 -0.555 3.607 807 HG LEU 109 HG LEU 109 4.698 0.486 5.967 808 HD11 LEU 109 1HD1 LEU 109 5.367 2.597 5.665 809 HD12 LEU 109 2HD1 LEU 109 4.631 2.702 4.048 810 HD13 LEU 109 3HD1 LEU 109 3.636 2.975 5.498 811 HD21 LEU 109 1HD2 LEU 109 2.323 -0.226 4.883 812 HD22 LEU 109 2HD2 LEU 109 2.508 0.513 6.492 813 HD23 LEU 109 3HD2 LEU 109 2.070 1.524 5.094 814 H THR 110 H THR 110 4.920 -2.810 3.540 815 HA THR 110 HA THR 110 6.300 -3.167 0.960 816 HB THR 110 HB THR 110 5.818 -5.161 3.236 817 HG1 THR 110 1HG THR 110 7.685 -3.886 3.581 818 HG21 THR 110 1HG2 THR 110 6.992 -5.484 0.429 819 HG22 THR 110 2HG2 THR 110 7.328 -6.622 1.756 820 HG23 THR 110 3HG2 THR 110 5.664 -6.422 1.154 821 H LEU 111 H LEU 111 4.956 -3.281 -0.714 822 HA LEU 111 HA LEU 111 2.158 -3.540 -0.257 823 HB2 LEU 111 1HB LEU 111 2.950 -2.064 -1.954 824 HB3 LEU 111 2HB LEU 111 3.864 -3.339 -2.735 825 HG LEU 111 HG LEU 111 1.843 -4.442 -3.466 826 HD11 LEU 111 1HD1 LEU 111 0.086 -4.306 -2.085 827 HD12 LEU 111 2HD1 LEU 111 0.584 -2.722 -1.443 828 HD13 LEU 111 3HD1 LEU 111 -0.307 -2.819 -2.981 829 HD21 LEU 111 1HD2 LEU 111 1.070 -2.867 -5.076 830 HD22 LEU 111 2HD2 LEU 111 1.529 -1.489 -4.047 831 HD23 LEU 111 3HD2 LEU 111 2.789 -2.515 -4.774 832 H ARG 112 H ARG 112 1.092 -5.405 0.092 833 HA ARG 112 HA ARG 112 2.274 -7.777 -1.118 834 HB2 ARG 112 1HB ARG 112 0.762 -7.423 1.510 835 HB3 ARG 112 2HB ARG 112 1.003 -9.003 0.791 836 HG2 ARG 112 1HG ARG 112 3.341 -7.119 1.295 837 HG3 ARG 112 2HG ARG 112 2.747 -8.190 2.549 838 HD2 ARG 112 1HD ARG 112 3.214 -10.168 1.190 839 HD3 ARG 112 2HD ARG 112 3.561 -9.188 -0.220 840 HE ARG 112 HE ARG 112 5.343 -8.267 1.732 841 HH11 ARG 112 2HH2 ARG 112 4.658 -11.363 0.205 842 HH12 ARG 112 1HH2 ARG 112 6.278 -11.951 0.377 843 HH21 ARG 112 2HH1 ARG 112 7.480 -9.043 1.960 844 HH22 ARG 112 1HH1 ARG 112 7.894 -10.622 1.383 845 H TRP 113 H TRP 113 0.472 -9.609 -1.362 846 HA TRP 113 HA TRP 113 -2.139 -8.464 -1.944 847 HB2 TRP 113 1HB TRP 113 -1.412 -8.146 -4.073 848 HB3 TRP 113 2HB TRP 113 -0.201 -9.411 -3.985 849 HD1 TRP 113 HD TRP 113 -1.545 -12.059 -3.805 850 HE1 TRP 113 1HE TRP 113 -3.431 -13.019 -5.381 851 HE3 TRP 113 3HE TRP 113 -3.152 -7.545 -5.509 852 HZ2 TRP 113 2HZ TRP 113 -5.341 -11.811 -7.124 853 HZ3 TRP 113 3HZ TRP 113 -5.032 -7.524 -7.146 854 HH2 TRP 113 HH TRP 113 -6.119 -9.560 -7.953 855 H SER 114 H SER 114 -3.691 -9.878 -1.224 856 HA SER 114 HA SER 114 -2.822 -12.298 -0.066 857 HB2 SER 114 1HB SER 114 -4.617 -11.085 0.999 858 HB3 SER 114 2HB SER 114 -5.556 -11.030 -0.480 859 HG SER 114 HG SER 114 -6.324 -12.666 1.021 860 H GLY 115 H GLY 115 -3.506 -14.486 -0.658 861 HA2 GLY 115 1HA GLY 115 -4.833 -14.876 -3.205 862 HA3 GLY 115 2HA GLY 115 -3.132 -15.294 -3.190 863 HA PRO 116 HA PRO 116 -5.579 -18.787 -1.467 864 HB2 PRO 116 1HB PRO 116 -5.311 -20.590 -3.503 865 HB3 PRO 116 2HB PRO 116 -6.720 -19.567 -3.308 866 HG2 PRO 116 1HG PRO 116 -4.508 -19.324 -5.254 867 HG3 PRO 116 2HG PRO 116 -6.102 -18.597 -5.307 868 HD2 PRO 116 1HD PRO 116 -3.644 -17.295 -4.604 869 HD3 PRO 116 2HD PRO 116 -5.252 -16.601 -4.546 870 H SER 117 H SER 117 -4.445 -19.603 0.169 871 HA SER 117 HA SER 117 -2.401 -21.409 -0.480 872 HB2 SER 117 1HB SER 117 -1.604 -18.668 0.559 873 HB3 SER 117 2HB SER 117 -0.607 -20.076 0.865 874 HG SER 117 HG SER 117 0.115 -19.032 -1.048 875 H SER 118 H SER 118 -3.102 -19.021 2.187 876 HA SER 118 HA SER 118 -3.338 -19.326 4.342 877 HB2 SER 118 1HB SER 118 -5.617 -19.781 3.634 878 HB3 SER 118 2HB SER 118 -5.231 -21.446 3.249 879 HG SER 118 HG SER 118 -6.276 -20.718 5.476 880 H GLY 119 H GLY 119 -1.273 -20.017 5.071 881 HA2 GLY 119 1HA GLY 119 -1.146 -22.837 5.838 882 HA3 GLY 119 2HA GLY 119 0.129 -22.224 4.804 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -17.851 -3.302 -12.401 2 HA2 GLY 1 1HA GLY 1 -19.195 -5.875 -12.453 3 HA3 GLY 1 2HA GLY 1 -17.480 -5.933 -12.100 4 H SER 2 H SER 2 -20.430 -4.021 -11.156 5 HA SER 2 HA SER 2 -19.264 -3.753 -8.521 6 HB2 SER 2 1HB SER 2 -20.169 -1.727 -9.663 7 HB3 SER 2 2HB SER 2 -21.753 -2.472 -9.735 8 HG SER 2 HG SER 2 -21.692 -2.578 -7.348 9 H SER 3 H SER 3 -19.581 -5.975 -7.817 10 HA SER 3 HA SER 3 -22.323 -6.876 -7.762 11 HB2 SER 3 1HB SER 3 -19.923 -8.195 -8.170 12 HB3 SER 3 2HB SER 3 -20.234 -8.557 -6.484 13 HG SER 3 HG SER 3 -21.589 -9.423 -8.791 14 H GLY 4 H GLY 4 -23.283 -7.684 -5.696 15 HA2 GLY 4 1HA GLY 4 -22.049 -7.117 -3.195 16 HA3 GLY 4 2HA GLY 4 -23.179 -5.850 -3.633 17 H SER 5 H SER 5 -23.039 -9.487 -3.812 18 HA SER 5 HA SER 5 -25.511 -9.533 -2.323 19 HB2 SER 5 1HB SER 5 -25.154 -10.712 -5.105 20 HB3 SER 5 2HB SER 5 -26.387 -11.299 -4.006 21 HG SER 5 HG SER 5 -27.544 -9.718 -4.907 22 H SER 6 H SER 6 -25.823 -11.547 -1.171 23 HA SER 6 HA SER 6 -25.215 -13.355 -0.137 24 HB2 SER 6 1HB SER 6 -23.493 -13.891 -2.598 25 HB3 SER 6 2HB SER 6 -23.801 -15.067 -1.336 26 HG SER 6 HG SER 6 -25.664 -15.527 -2.268 27 H GLY 7 H GLY 7 -23.227 -14.534 0.916 28 HA2 GLY 7 1HA GLY 7 -20.928 -12.690 1.099 29 HA3 GLY 7 2HA GLY 7 -21.754 -13.252 2.539 30 H MET 8 H MET 8 -19.186 -13.894 2.593 31 HA MET 8 HA MET 8 -18.093 -15.872 1.233 32 HB2 MET 8 1HB MET 8 -17.436 -14.610 3.500 33 HB3 MET 8 2HB MET 8 -18.089 -16.040 4.275 34 HG2 MET 8 1HG MET 8 -16.471 -17.162 2.311 35 HG3 MET 8 2HG MET 8 -15.571 -15.716 2.725 36 HE1 MET 8 1HE MET 8 -14.907 -18.994 3.276 37 HE2 MET 8 2HE MET 8 -13.768 -17.628 3.348 38 HE3 MET 8 3HE MET 8 -13.934 -18.724 4.741 39 H SER 9 H SER 9 -18.533 -17.971 0.696 40 HA SER 9 HA SER 9 -20.650 -19.246 2.230 41 HB2 SER 9 1HB SER 9 -20.694 -18.852 -0.386 42 HB3 SER 9 2HB SER 9 -19.636 -20.248 -0.441 43 HG SER 9 HG SER 9 -22.367 -20.075 0.402 44 H GLN 10 H GLN 10 -17.629 -20.133 0.387 45 HA GLN 10 HA GLN 10 -16.438 -21.354 2.560 46 HB2 GLN 10 1HB GLN 10 -18.205 -23.054 2.373 47 HB3 GLN 10 2HB GLN 10 -17.857 -23.282 0.671 48 HG2 GLN 10 1HG GLN 10 -15.882 -24.456 1.078 49 HG3 GLN 10 2HG GLN 10 -15.556 -23.612 2.578 50 HE21 GLN 10 1HE2 GLN 10 -16.046 -24.533 4.438 51 HE22 GLN 10 2HE2 GLN 10 -16.993 -25.965 4.664 52 H LEU 11 H LEU 11 -14.556 -20.352 1.810 53 HA LEU 11 HA LEU 11 -12.723 -20.075 0.614 54 HB2 LEU 11 1HB LEU 11 -13.547 -22.810 -0.296 55 HB3 LEU 11 2HB LEU 11 -12.175 -22.014 -1.041 56 HG LEU 11 HG LEU 11 -12.371 -22.360 1.952 57 HD11 LEU 11 1HD1 LEU 11 -10.902 -24.283 0.152 58 HD12 LEU 11 2HD1 LEU 11 -11.302 -24.444 1.879 59 HD13 LEU 11 3HD1 LEU 11 -12.588 -24.557 0.653 60 HD21 LEU 11 1HD2 LEU 11 -10.159 -21.760 2.048 61 HD22 LEU 11 2HD2 LEU 11 -9.824 -22.285 0.380 62 HD23 LEU 11 3HD2 LEU 11 -10.711 -20.770 0.675 63 H GLY 12 H GLY 12 -12.081 -18.940 -1.236 64 HA2 GLY 12 1HA GLY 12 -12.808 -18.954 -3.754 65 HA3 GLY 12 2HA GLY 12 -14.280 -18.304 -3.061 66 H SER 13 H SER 13 -14.262 -16.149 -3.631 67 HA SER 13 HA SER 13 -13.664 -14.066 -3.725 68 HB2 SER 13 1HB SER 13 -12.116 -14.962 -1.290 69 HB3 SER 13 2HB SER 13 -11.861 -13.339 -1.900 70 HG SER 13 HG SER 13 -14.242 -14.511 -0.813 71 H ARG 14 H ARG 14 -11.600 -12.490 -3.972 72 HA ARG 14 HA ARG 14 -9.647 -14.031 -5.487 73 HB2 ARG 14 1HB ARG 14 -10.840 -11.267 -5.980 74 HB3 ARG 14 2HB ARG 14 -9.352 -11.768 -6.759 75 HG2 ARG 14 1HG ARG 14 -10.427 -13.214 -8.187 76 HG3 ARG 14 2HG ARG 14 -11.533 -13.777 -6.951 77 HD2 ARG 14 1HD ARG 14 -13.124 -12.160 -7.432 78 HD3 ARG 14 2HD ARG 14 -11.929 -10.941 -7.825 79 HE ARG 14 HE ARG 14 -12.088 -11.578 -10.062 80 HH11 ARG 14 2HH2 ARG 14 -13.182 -14.253 -8.055 81 HH12 ARG 14 1HH2 ARG 14 -13.661 -15.234 -9.400 82 HH21 ARG 14 2HH1 ARG 14 -12.721 -12.870 -11.837 83 HH22 ARG 14 1HH1 ARG 14 -13.397 -14.442 -11.566 84 H GLY 15 H GLY 15 -7.513 -12.541 -5.803 85 HA2 GLY 15 1HA GLY 15 -6.235 -12.320 -3.383 86 HA3 GLY 15 2HA GLY 15 -5.755 -11.505 -4.857 87 H ARG 16 H ARG 16 -5.268 -10.265 -2.414 88 HA ARG 16 HA ARG 16 -6.971 -7.973 -2.719 89 HB2 ARG 16 1HB ARG 16 -6.532 -9.330 -0.010 90 HB3 ARG 16 2HB ARG 16 -7.318 -7.780 -0.232 91 HG2 ARG 16 1HG ARG 16 -8.299 -10.352 -1.551 92 HG3 ARG 16 2HG ARG 16 -8.894 -9.781 -0.004 93 HD2 ARG 16 1HD ARG 16 -9.640 -7.646 -1.070 94 HD3 ARG 16 2HD ARG 16 -9.027 -8.197 -2.617 95 HE ARG 16 HE ARG 16 -10.824 -10.174 -1.551 96 HH11 ARG 16 2HH2 ARG 16 -10.834 -6.965 -2.995 97 HH12 ARG 16 1HH2 ARG 16 -12.433 -7.122 -3.642 98 HH21 ARG 16 2HH1 ARG 16 -12.934 -10.381 -2.404 99 HH22 ARG 16 1HH1 ARG 16 -13.636 -9.078 -3.303 100 H LEU 17 H LEU 17 -5.722 -6.107 -2.611 101 HA LEU 17 HA LEU 17 -2.927 -6.449 -1.997 102 HB2 LEU 17 1HB LEU 17 -4.550 -4.137 -3.059 103 HB3 LEU 17 2HB LEU 17 -2.827 -4.053 -2.748 104 HG LEU 17 HG LEU 17 -3.720 -6.294 -4.481 105 HD11 LEU 17 1HD1 LEU 17 -4.005 -3.399 -5.281 106 HD12 LEU 17 2HD1 LEU 17 -3.712 -4.688 -6.473 107 HD13 LEU 17 3HD1 LEU 17 -5.172 -4.731 -5.455 108 HD21 LEU 17 1HD2 LEU 17 -1.436 -4.306 -4.606 109 HD22 LEU 17 2HD2 LEU 17 -1.368 -5.979 -4.002 110 HD23 LEU 17 3HD2 LEU 17 -1.683 -5.667 -5.726 111 H TRP 18 H TRP 18 -1.777 -5.416 -0.322 112 HA TRP 18 HA TRP 18 -3.083 -3.646 1.474 113 HB2 TRP 18 1HB TRP 18 -2.834 -5.208 3.463 114 HB3 TRP 18 2HB TRP 18 -4.225 -5.425 2.419 115 HD1 TRP 18 HD TRP 18 -4.296 -7.720 0.947 116 HE1 TRP 18 1HE TRP 18 -3.066 -10.050 1.087 117 HE3 TRP 18 3HE TRP 18 -0.595 -6.170 4.070 118 HZ2 TRP 18 2HZ TRP 18 -0.736 -10.963 2.457 119 HZ3 TRP 18 3HZ TRP 18 1.118 -7.845 4.761 120 HH2 TRP 18 HH TRP 18 1.089 -10.169 4.006 121 H LEU 19 H LEU 19 -1.502 -3.115 3.321 122 HA LEU 19 HA LEU 19 1.204 -3.354 2.245 123 HB2 LEU 19 1HB LEU 19 0.198 -1.479 4.381 124 HB3 LEU 19 2HB LEU 19 1.727 -1.408 3.528 125 HG LEU 19 HG LEU 19 0.573 0.234 2.439 126 HD11 LEU 19 1HD1 LEU 19 -0.440 -2.093 0.798 127 HD12 LEU 19 2HD1 LEU 19 0.037 -0.470 0.245 128 HD13 LEU 19 3HD1 LEU 19 1.271 -1.605 0.843 129 HD21 LEU 19 1HD2 LEU 19 -1.674 0.567 2.413 130 HD22 LEU 19 2HD2 LEU 19 -2.045 -1.154 2.148 131 HD23 LEU 19 3HD2 LEU 19 -1.590 -0.581 3.771 132 H GLN 20 H GLN 20 2.954 -4.083 3.532 133 HA GLN 20 HA GLN 20 2.057 -5.490 5.927 134 HB2 GLN 20 1HB GLN 20 2.768 -6.915 3.921 135 HB3 GLN 20 2HB GLN 20 4.392 -6.294 4.144 136 HG2 GLN 20 1HG GLN 20 4.240 -7.111 6.585 137 HG3 GLN 20 2HG GLN 20 2.762 -7.936 6.131 138 HE21 GLN 20 1HE2 GLN 20 2.953 -9.951 5.548 139 HE22 GLN 20 2HE2 GLN 20 4.343 -10.724 4.863 140 H SER 21 H SER 21 2.667 -4.192 7.629 141 HA SER 21 HA SER 21 5.014 -2.613 7.432 142 HB2 SER 21 1HB SER 21 4.274 -2.537 10.100 143 HB3 SER 21 2HB SER 21 3.680 -1.454 8.856 144 HG SER 21 HG SER 21 1.738 -2.299 9.105 145 HA PRO 22 HA PRO 22 7.753 -5.463 9.256 146 HB2 PRO 22 1HB PRO 22 9.706 -3.801 10.198 147 HB3 PRO 22 2HB PRO 22 9.591 -4.288 8.519 148 HG2 PRO 22 1HG PRO 22 8.894 -1.691 9.747 149 HG3 PRO 22 2HG PRO 22 9.190 -2.063 8.061 150 HD2 PRO 22 1HD PRO 22 6.639 -1.646 9.303 151 HD3 PRO 22 2HD PRO 22 6.930 -2.132 7.645 152 H THR 23 H THR 23 8.999 -6.085 11.294 153 HA THR 23 HA THR 23 7.293 -6.478 13.326 154 HB THR 23 HB THR 23 10.304 -5.924 13.378 155 HG1 THR 23 1HG THR 23 10.207 -7.974 12.550 156 HG21 THR 23 1HG2 THR 23 9.381 -5.840 15.705 157 HG22 THR 23 2HG2 THR 23 8.520 -7.369 15.409 158 HG23 THR 23 3HG2 THR 23 10.300 -7.340 15.435 159 H GLY 24 H GLY 24 6.895 -5.547 15.429 160 HA2 GLY 24 1HA GLY 24 6.178 -3.831 16.694 161 HA3 GLY 24 2HA GLY 24 7.718 -3.084 16.318 162 H GLY 25 H GLY 25 4.582 -3.767 14.592 163 HA2 GLY 25 1HA GLY 25 4.282 -0.927 14.033 164 HA3 GLY 25 2HA GLY 25 4.553 -1.956 12.641 165 HA PRO 26 HA PRO 26 0.095 -2.058 13.715 166 HB2 PRO 26 1HB PRO 26 -0.914 -0.784 11.517 167 HB3 PRO 26 2HB PRO 26 -0.607 0.029 13.039 168 HG2 PRO 26 1HG PRO 26 0.944 0.152 10.525 169 HG3 PRO 26 2HG PRO 26 0.976 1.252 11.890 170 HD2 PRO 26 1HD PRO 26 2.930 -0.749 11.252 171 HD3 PRO 26 2HD PRO 26 2.900 0.271 12.677 172 HA PRO 27 HA PRO 27 -0.842 -5.366 11.224 173 HB2 PRO 27 1HB PRO 27 -3.558 -5.320 10.921 174 HB3 PRO 27 2HB PRO 27 -2.765 -5.906 12.370 175 HG2 PRO 27 1HG PRO 27 -4.190 -3.352 11.941 176 HG3 PRO 27 2HG PRO 27 -3.771 -4.135 13.452 177 HD2 PRO 27 1HD PRO 27 -2.452 -1.882 12.264 178 HD3 PRO 27 2HD PRO 27 -1.965 -2.738 13.714 179 HA PRO 28 HA PRO 28 -1.186 -4.533 7.074 180 HB2 PRO 28 1HB PRO 28 -2.401 -6.719 5.971 181 HB3 PRO 28 2HB PRO 28 -0.707 -6.689 6.422 182 HG2 PRO 28 1HG PRO 28 -2.967 -8.010 7.796 183 HG3 PRO 28 2HG PRO 28 -1.249 -8.308 7.973 184 HD2 PRO 28 1HD PRO 28 -2.935 -6.858 9.785 185 HD3 PRO 28 2HD PRO 28 -1.198 -7.058 9.902 186 H ILE 29 H ILE 29 -2.257 -2.857 6.259 187 HA ILE 29 HA ILE 29 -5.093 -2.789 6.732 188 HB ILE 29 HB ILE 29 -3.106 -0.898 5.492 189 HG12 ILE 29 1HG1 ILE 29 -4.608 0.188 7.667 190 HG13 ILE 29 2HG1 ILE 29 -4.030 -1.393 8.155 191 HG21 ILE 29 1HG2 ILE 29 -4.821 0.703 5.106 192 HG22 ILE 29 2HG2 ILE 29 -5.332 -0.809 4.318 193 HG23 ILE 29 3HG2 ILE 29 -6.052 -0.328 5.873 194 HD11 ILE 29 1HD1 ILE 29 -2.034 0.274 6.692 195 HD12 ILE 29 2HD1 ILE 29 -2.519 0.884 8.293 196 HD13 ILE 29 3HD1 ILE 29 -1.825 -0.748 8.134 197 H PHE 30 H PHE 30 -6.729 -3.141 5.261 198 HA PHE 30 HA PHE 30 -5.845 -4.289 2.728 199 HB2 PHE 30 1HB PHE 30 -8.388 -4.319 4.444 200 HB3 PHE 30 2HB PHE 30 -8.404 -4.953 2.810 201 HD1 PHE 30 2HD PHE 30 -6.862 -5.388 6.146 202 HD2 PHE 30 1HD PHE 30 -7.585 -7.119 2.340 203 HE1 PHE 30 2HE PHE 30 -6.045 -7.603 6.998 204 HE2 PHE 30 1HE PHE 30 -6.767 -9.334 3.192 205 HZ PHE 30 HZ PHE 30 -6.007 -9.549 5.511 206 H LEU 31 H LEU 31 -5.613 -2.676 1.206 207 HA LEU 31 HA LEU 31 -7.120 -0.327 1.194 208 HB2 LEU 31 1HB LEU 31 -5.926 -1.468 -1.297 209 HB3 LEU 31 2HB LEU 31 -6.002 0.196 -0.754 210 HG LEU 31 HG LEU 31 -4.094 -1.978 0.055 211 HD11 LEU 31 1HD1 LEU 31 -2.767 0.450 -0.144 212 HD12 LEU 31 2HD1 LEU 31 -2.846 -0.825 -1.384 213 HD13 LEU 31 3HD1 LEU 31 -4.000 0.530 -1.426 214 HD21 LEU 31 1HD2 LEU 31 -3.500 0.198 1.702 215 HD22 LEU 31 2HD2 LEU 31 -5.258 -0.035 1.864 216 HD23 LEU 31 3HD2 LEU 31 -4.147 -1.385 2.196 217 HA PRO 32 HA PRO 32 -10.787 -1.481 -0.764 218 HB2 PRO 32 1HB PRO 32 -11.449 0.736 -2.218 219 HB3 PRO 32 2HB PRO 32 -11.709 0.611 -0.490 220 HG2 PRO 32 1HG PRO 32 -9.634 2.131 -1.947 221 HG3 PRO 32 2HG PRO 32 -10.175 2.322 -0.291 222 HD2 PRO 32 1HD PRO 32 -7.755 1.059 -1.172 223 HD3 PRO 32 2HD PRO 32 -8.352 1.147 0.473 224 H SER 33 H SER 33 -12.013 -1.967 -2.763 225 HA SER 33 HA SER 33 -10.013 -2.504 -4.814 226 HB2 SER 33 1HB SER 33 -11.829 -4.239 -5.557 227 HB3 SER 33 2HB SER 33 -10.825 -4.605 -4.168 228 HG SER 33 HG SER 33 -13.523 -4.423 -4.278 229 H ASP 34 H ASP 34 -13.282 -1.233 -4.079 230 HA ASP 34 HA ASP 34 -14.423 -0.955 -6.439 231 HB2 ASP 34 1HB ASP 34 -14.189 0.908 -4.077 232 HB3 ASP 34 2HB ASP 34 -14.983 1.518 -5.515 233 H GLY 35 H GLY 35 -11.489 0.680 -5.263 234 HA2 GLY 35 1HA GLY 35 -9.940 1.351 -7.034 235 HA3 GLY 35 2HA GLY 35 -11.289 2.132 -7.835 236 H GLN 36 H GLN 36 -11.725 2.435 -4.473 237 HA GLN 36 HA GLN 36 -11.370 5.180 -4.550 238 HB2 GLN 36 1HB GLN 36 -11.848 3.136 -2.388 239 HB3 GLN 36 2HB GLN 36 -11.407 4.761 -1.904 240 HG2 GLN 36 1HG GLN 36 -13.323 5.728 -2.993 241 HG3 GLN 36 2HG GLN 36 -13.636 4.272 -3.917 242 HE21 GLN 36 1HE2 GLN 36 -14.756 2.606 -3.055 243 HE22 GLN 36 2HE2 GLN 36 -15.520 2.625 -1.500 244 H ALA 37 H ALA 37 -9.896 6.428 -2.946 245 HA ALA 37 HA ALA 37 -7.218 5.229 -3.101 246 HB1 ALA 37 1HB ALA 37 -6.426 7.251 -3.778 247 HB2 ALA 37 2HB ALA 37 -8.118 7.549 -4.242 248 HB3 ALA 37 3HB ALA 37 -7.502 8.152 -2.685 249 H LEU 38 H LEU 38 -6.410 4.543 -1.188 250 HA LEU 38 HA LEU 38 -7.643 5.557 1.240 251 HB2 LEU 38 1HB LEU 38 -7.322 3.105 0.726 252 HB3 LEU 38 2HB LEU 38 -5.600 3.359 0.929 253 HG LEU 38 HG LEU 38 -5.931 4.027 3.255 254 HD11 LEU 38 1HD1 LEU 38 -8.789 4.024 2.457 255 HD12 LEU 38 2HD1 LEU 38 -8.412 3.404 4.083 256 HD13 LEU 38 3HD1 LEU 38 -7.914 5.049 3.620 257 HD21 LEU 38 1HD2 LEU 38 -7.123 1.392 2.392 258 HD22 LEU 38 2HD2 LEU 38 -5.489 1.734 3.009 259 HD23 LEU 38 3HD2 LEU 38 -6.889 1.816 4.105 260 H VAL 39 H VAL 39 -6.845 7.498 1.894 261 HA VAL 39 HA VAL 39 -4.172 8.267 1.317 262 HB VAL 39 HB VAL 39 -6.601 9.399 2.472 263 HG11 VAL 39 1HG1 VAL 39 -5.356 11.208 3.722 264 HG12 VAL 39 2HG1 VAL 39 -5.375 9.614 4.513 265 HG13 VAL 39 3HG1 VAL 39 -3.916 10.164 3.655 266 HG21 VAL 39 1HG2 VAL 39 -6.202 11.028 0.959 267 HG22 VAL 39 2HG2 VAL 39 -4.482 11.159 1.396 268 HG23 VAL 39 3HG2 VAL 39 -5.025 9.870 0.296 269 H LEU 40 H LEU 40 -2.407 8.541 2.783 270 HA LEU 40 HA LEU 40 -2.738 7.098 5.316 271 HB2 LEU 40 1HB LEU 40 -0.627 6.749 3.204 272 HB3 LEU 40 2HB LEU 40 -0.310 6.355 4.882 273 HG LEU 40 HG LEU 40 -2.271 5.062 2.989 274 HD11 LEU 40 1HD1 LEU 40 0.312 4.460 3.478 275 HD12 LEU 40 2HD1 LEU 40 -0.476 3.485 4.742 276 HD13 LEU 40 3HD1 LEU 40 -0.920 3.255 3.034 277 HD21 LEU 40 1HD2 LEU 40 -2.362 5.158 5.975 278 HD22 LEU 40 2HD2 LEU 40 -3.685 5.108 4.785 279 HD23 LEU 40 3HD2 LEU 40 -2.764 3.630 5.155 280 H GLY 41 H GLY 41 -0.637 7.588 6.736 281 HA2 GLY 41 1HA GLY 41 1.023 9.622 6.650 282 HA3 GLY 41 2HA GLY 41 -0.479 10.508 6.826 283 H ARG 42 H ARG 42 0.061 11.303 8.931 284 HA ARG 42 HA ARG 42 0.945 9.655 10.963 285 HB2 ARG 42 1HB ARG 42 0.117 12.422 10.624 286 HB3 ARG 42 2HB ARG 42 -0.596 11.803 12.100 287 HG2 ARG 42 1HG ARG 42 1.798 10.859 12.617 288 HG3 ARG 42 2HG ARG 42 2.349 11.947 11.359 289 HD2 ARG 42 1HD ARG 42 2.530 13.079 13.529 290 HD3 ARG 42 2HD ARG 42 1.295 13.876 12.574 291 HE ARG 42 HE ARG 42 -0.140 11.976 13.991 292 HH11 ARG 42 2HH2 ARG 42 2.110 14.520 14.913 293 HH12 ARG 42 1HH2 ARG 42 1.383 14.777 16.463 294 HH21 ARG 42 2HH1 ARG 42 -1.100 12.316 16.037 295 HH22 ARG 42 1HH1 ARG 42 -0.455 13.515 17.107 296 H GLY 43 H GLY 43 -0.148 8.476 12.598 297 HA2 GLY 43 1HA GLY 43 -2.497 8.513 13.693 298 HA3 GLY 43 2HA GLY 43 -3.006 8.024 12.089 299 HA PRO 44 HA PRO 44 -1.756 4.287 14.419 300 HB2 PRO 44 1HB PRO 44 -4.181 3.032 14.543 301 HB3 PRO 44 2HB PRO 44 -3.543 4.016 15.845 302 HG2 PRO 44 1HG PRO 44 -5.676 4.667 13.904 303 HG3 PRO 44 2HG PRO 44 -5.320 5.430 15.441 304 HD2 PRO 44 1HD PRO 44 -4.693 6.448 12.834 305 HD3 PRO 44 2HD PRO 44 -4.236 7.153 14.372 306 H LEU 45 H LEU 45 -3.212 5.059 11.491 307 HA LEU 45 HA LEU 45 -3.516 2.586 10.327 308 HB2 LEU 45 1HB LEU 45 -2.588 5.178 9.082 309 HB3 LEU 45 2HB LEU 45 -3.167 3.781 8.197 310 HG LEU 45 HG LEU 45 -4.665 5.855 9.670 311 HD11 LEU 45 1HD1 LEU 45 -6.391 5.218 7.948 312 HD12 LEU 45 2HD1 LEU 45 -4.839 5.804 7.302 313 HD13 LEU 45 3HD1 LEU 45 -5.204 4.062 7.295 314 HD21 LEU 45 1HD2 LEU 45 -5.131 4.020 11.169 315 HD22 LEU 45 2HD2 LEU 45 -6.570 4.357 10.176 316 HD23 LEU 45 3HD2 LEU 45 -5.537 2.956 9.801 317 H THR 46 H THR 46 -0.570 4.718 10.265 318 HA THR 46 HA THR 46 0.985 2.273 9.726 319 HB THR 46 HB THR 46 2.558 3.809 8.556 320 HG1 THR 46 1HG THR 46 1.154 5.539 10.135 321 HG21 THR 46 1HG2 THR 46 0.997 3.201 6.902 322 HG22 THR 46 2HG2 THR 46 -0.376 3.871 7.816 323 HG23 THR 46 3HG2 THR 46 0.737 4.961 6.955 324 H GLN 47 H GLN 47 -0.005 3.919 12.285 325 HA GLN 47 HA GLN 47 0.771 4.336 14.270 326 HB2 GLN 47 1HB GLN 47 2.919 2.362 13.400 327 HB3 GLN 47 2HB GLN 47 2.823 2.988 15.034 328 HG2 GLN 47 1HG GLN 47 0.193 2.062 14.129 329 HG3 GLN 47 2HG GLN 47 1.386 0.790 13.959 330 HE21 GLN 47 1HE2 GLN 47 -0.716 0.626 15.727 331 HE22 GLN 47 2HE2 GLN 47 -0.141 0.654 17.361 332 H VAL 48 H VAL 48 1.642 6.026 11.939 333 HA VAL 48 HA VAL 48 4.279 6.912 12.778 334 HB VAL 48 HB VAL 48 2.447 7.640 10.489 335 HG11 VAL 48 1HG1 VAL 48 4.766 8.764 9.751 336 HG12 VAL 48 2HG1 VAL 48 3.514 9.650 10.654 337 HG13 VAL 48 3HG1 VAL 48 4.915 8.966 11.513 338 HG21 VAL 48 1HG2 VAL 48 3.444 5.496 10.145 339 HG22 VAL 48 2HG2 VAL 48 4.350 6.657 9.145 340 HG23 VAL 48 3HG2 VAL 48 5.038 6.077 10.681 341 H THR 49 H THR 49 4.654 8.709 14.010 342 HA THR 49 HA THR 49 2.352 10.474 14.500 343 HB THR 49 HB THR 49 3.295 10.540 16.917 344 HG1 THR 49 1HG THR 49 5.324 9.511 16.455 345 HG21 THR 49 1HG2 THR 49 1.267 9.105 16.200 346 HG22 THR 49 2HG2 THR 49 2.411 7.753 16.024 347 HG23 THR 49 3HG2 THR 49 2.167 8.510 17.616 348 H ASP 50 H ASP 50 4.742 10.564 12.639 349 HA ASP 50 HA ASP 50 6.331 12.613 13.853 350 HB2 ASP 50 1HB ASP 50 6.764 10.703 11.871 351 HB3 ASP 50 2HB ASP 50 6.572 12.166 10.926 352 H ARG 51 H ARG 51 5.953 14.830 13.544 353 HA ARG 51 HA ARG 51 3.607 15.731 12.549 354 HB2 ARG 51 1HB ARG 51 6.300 17.175 12.721 355 HB3 ARG 51 2HB ARG 51 4.778 17.999 12.446 356 HG2 ARG 51 1HG ARG 51 4.607 16.169 14.743 357 HG3 ARG 51 2HG ARG 51 5.901 17.333 14.948 358 HD2 ARG 51 1HD ARG 51 3.179 18.283 14.005 359 HD3 ARG 51 2HD ARG 51 3.435 17.954 15.707 360 HE ARG 51 HE ARG 51 4.582 20.167 14.161 361 HH11 ARG 51 2HH2 ARG 51 4.902 18.196 17.059 362 HH12 ARG 51 1HH2 ARG 51 5.821 19.385 17.921 363 HH21 ARG 51 2HH1 ARG 51 5.795 21.735 15.297 364 HH22 ARG 51 1HH1 ARG 51 6.333 21.412 16.912 365 H LYS 52 H LYS 52 6.821 15.467 10.904 366 HA LYS 52 HA LYS 52 6.233 16.760 8.562 367 HB2 LYS 52 1HB LYS 52 7.980 14.321 9.005 368 HB3 LYS 52 2HB LYS 52 8.009 15.331 7.573 369 HG2 LYS 52 1HG LYS 52 9.510 16.658 8.638 370 HG3 LYS 52 2HG LYS 52 8.211 17.175 9.694 371 HD2 LYS 52 1HD LYS 52 8.726 15.419 11.314 372 HD3 LYS 52 2HD LYS 52 9.865 14.665 10.217 373 HE2 LYS 52 1HE LYS 52 11.522 16.241 10.618 374 HE3 LYS 52 2HE LYS 52 10.379 17.551 10.842 375 HZ1 LYS 52 1HZ LYS 52 10.126 15.566 12.845 376 HZ2 LYS 52 2HZ LYS 52 11.634 16.191 12.806 377 HZ3 LYS 52 3HZ LYS 52 10.347 17.176 13.005 378 H CYS 53 H CYS 53 4.943 13.763 9.831 379 HA CYS 53 HA CYS 53 4.060 12.890 7.227 380 HB2 CYS 53 1HB CYS 53 4.587 11.609 9.694 381 HB3 CYS 53 2HB CYS 53 2.863 11.441 9.429 382 HG CYS 53 HG CYS 53 2.896 10.332 7.173 383 H SER 54 H SER 54 2.338 14.000 6.354 384 HA SER 54 HA SER 54 0.471 15.233 8.157 385 HB2 SER 54 1HB SER 54 1.517 16.075 5.801 386 HB3 SER 54 2HB SER 54 0.069 15.305 5.183 387 HG SER 54 HG SER 54 0.326 17.718 6.459 388 H ARG 55 H ARG 55 -1.738 14.650 8.356 389 HA ARG 55 HA ARG 55 -2.460 12.135 8.332 390 HB2 ARG 55 1HB ARG 55 -4.194 14.537 7.579 391 HB3 ARG 55 2HB ARG 55 -4.870 12.963 7.946 392 HG2 ARG 55 1HG ARG 55 -3.967 13.014 10.212 393 HG3 ARG 55 2HG ARG 55 -3.016 14.444 9.863 394 HD2 ARG 55 1HD ARG 55 -6.072 14.318 9.855 395 HD3 ARG 55 2HD ARG 55 -5.092 15.000 11.138 396 HE ARG 55 HE ARG 55 -4.579 16.870 9.761 397 HH11 ARG 55 2HH2 ARG 55 -6.417 14.452 7.984 398 HH12 ARG 55 1HH2 ARG 55 -6.779 15.512 6.664 399 HH21 ARG 55 2HH1 ARG 55 -5.057 18.270 8.019 400 HH22 ARG 55 1HH1 ARG 55 -6.000 17.699 6.683 401 H ASN 56 H ASN 56 -2.306 14.270 5.474 402 HA ASN 56 HA ASN 56 -3.055 11.958 3.862 403 HB2 ASN 56 1HB ASN 56 -3.605 13.969 2.143 404 HB3 ASN 56 2HB ASN 56 -4.800 13.398 3.291 405 HD21 ASN 56 1HD2 ASN 56 -5.861 15.326 3.436 406 HD22 ASN 56 2HD2 ASN 56 -5.227 16.729 4.229 407 H GLN 57 H GLN 57 -0.459 11.966 4.451 408 HA GLN 57 HA GLN 57 1.132 13.801 3.092 409 HB2 GLN 57 1HB GLN 57 2.170 12.620 4.861 410 HB3 GLN 57 2HB GLN 57 1.593 11.064 4.298 411 HG2 GLN 57 1HG GLN 57 3.974 11.231 3.790 412 HG3 GLN 57 2HG GLN 57 3.085 11.263 2.281 413 HE21 GLN 57 1HE2 GLN 57 5.090 12.204 1.494 414 HE22 GLN 57 2HE2 GLN 57 5.344 13.914 1.603 415 H VAL 58 H VAL 58 -0.212 10.580 2.212 416 HA VAL 58 HA VAL 58 0.331 11.216 -0.570 417 HB VAL 58 HB VAL 58 1.092 8.732 -0.765 418 HG11 VAL 58 1HG1 VAL 58 2.942 9.791 -1.414 419 HG12 VAL 58 2HG1 VAL 58 2.459 11.231 -0.486 420 HG13 VAL 58 3HG1 VAL 58 3.441 9.963 0.286 421 HG21 VAL 58 1HG2 VAL 58 0.728 8.043 1.522 422 HG22 VAL 58 2HG2 VAL 58 2.476 8.013 1.185 423 HG23 VAL 58 3HG2 VAL 58 1.774 9.350 2.128 424 H GLU 59 H GLU 59 -0.711 9.263 -1.942 425 HA GLU 59 HA GLU 59 -3.137 8.461 -0.550 426 HB2 GLU 59 1HB GLU 59 -3.511 10.511 -2.010 427 HB3 GLU 59 2HB GLU 59 -3.084 9.536 -3.402 428 HG2 GLU 59 1HG GLU 59 -4.930 7.891 -2.657 429 HG3 GLU 59 2HG GLU 59 -5.436 9.114 -1.508 430 H LEU 60 H LEU 60 -3.104 6.257 -0.512 431 HA LEU 60 HA LEU 60 -1.784 4.886 -2.722 432 HB2 LEU 60 1HB LEU 60 -2.536 4.129 0.086 433 HB3 LEU 60 2HB LEU 60 -2.174 2.900 -1.110 434 HG LEU 60 HG LEU 60 0.001 4.496 -1.413 435 HD11 LEU 60 1HD1 LEU 60 0.419 4.618 1.350 436 HD12 LEU 60 2HD1 LEU 60 0.193 5.981 0.228 437 HD13 LEU 60 3HD1 LEU 60 -1.205 5.301 1.095 438 HD21 LEU 60 1HD2 LEU 60 1.114 2.661 -0.768 439 HD22 LEU 60 2HD2 LEU 60 0.305 2.598 0.816 440 HD23 LEU 60 3HD2 LEU 60 -0.502 1.930 -0.623 441 H ILE 61 H ILE 61 -2.851 3.529 -4.143 442 HA ILE 61 HA ILE 61 -5.709 3.139 -3.656 443 HB ILE 61 HB ILE 61 -4.516 4.107 -6.256 444 HG12 ILE 61 1HG1 ILE 61 -6.478 5.892 -5.246 445 HG13 ILE 61 2HG1 ILE 61 -5.380 5.556 -3.922 446 HG21 ILE 61 1HG2 ILE 61 -7.052 4.400 -6.740 447 HG22 ILE 61 2HG2 ILE 61 -6.307 2.792 -6.904 448 HG23 ILE 61 3HG2 ILE 61 -7.262 3.187 -5.455 449 HD11 ILE 61 1HD1 ILE 61 -4.150 7.228 -4.920 450 HD12 ILE 61 2HD1 ILE 61 -3.553 5.878 -5.916 451 HD13 ILE 61 3HD1 ILE 61 -4.855 6.928 -6.527 452 H ALA 62 H ALA 62 -6.201 1.017 -3.753 453 HA ALA 62 HA ALA 62 -4.217 -0.830 -4.640 454 HB1 ALA 62 1HB ALA 62 -6.723 -2.115 -4.247 455 HB2 ALA 62 2HB ALA 62 -5.345 -2.043 -3.123 456 HB3 ALA 62 3HB ALA 62 -6.625 -0.808 -3.043 457 H ASP 63 H ASP 63 -3.901 -1.542 -6.686 458 HA ASP 63 HA ASP 63 -6.179 -1.270 -8.487 459 HB2 ASP 63 1HB ASP 63 -3.204 -1.115 -9.166 460 HB3 ASP 63 2HB ASP 63 -4.515 -0.951 -10.317 461 HA PRO 64 HA PRO 64 -5.028 -5.650 -8.334 462 HB2 PRO 64 1HB PRO 64 -7.564 -6.666 -8.408 463 HB3 PRO 64 2HB PRO 64 -6.712 -6.322 -6.916 464 HG2 PRO 64 1HG PRO 64 -8.906 -4.805 -8.189 465 HG3 PRO 64 2HG PRO 64 -8.340 -4.734 -6.532 466 HD2 PRO 64 1HD PRO 64 -7.815 -2.826 -8.608 467 HD3 PRO 64 2HD PRO 64 -7.155 -2.817 -6.985 468 H GLU 65 H GLU 65 -6.126 -3.599 -10.593 469 HA GLU 65 HA GLU 65 -7.037 -5.349 -12.540 470 HB2 GLU 65 1HB GLU 65 -6.578 -3.484 -14.113 471 HB3 GLU 65 2HB GLU 65 -7.389 -2.922 -12.665 472 HG2 GLU 65 1HG GLU 65 -5.159 -2.250 -11.705 473 HG3 GLU 65 2HG GLU 65 -4.383 -2.761 -13.190 474 H SER 66 H SER 66 -3.746 -4.201 -11.649 475 HA SER 66 HA SER 66 -2.708 -6.399 -13.213 476 HB2 SER 66 1HB SER 66 -2.190 -3.496 -13.711 477 HB3 SER 66 2HB SER 66 -0.782 -4.538 -13.749 478 HG SER 66 HG SER 66 -2.554 -5.886 -15.157 479 H ARG 67 H ARG 67 -3.127 -6.113 -10.373 480 HA ARG 67 HA ARG 67 -2.132 -6.119 -8.440 481 HB2 ARG 67 1HB ARG 67 0.086 -7.376 -10.131 482 HB3 ARG 67 2HB ARG 67 0.076 -7.418 -8.379 483 HG2 ARG 67 1HG ARG 67 -1.475 -9.088 -8.319 484 HG3 ARG 67 2HG ARG 67 -2.508 -8.285 -9.485 485 HD2 ARG 67 1HD ARG 67 -1.902 -10.085 -10.802 486 HD3 ARG 67 2HD ARG 67 -0.537 -9.053 -11.181 487 HE ARG 67 HE ARG 67 -0.048 -10.640 -8.790 488 HH11 ARG 67 2HH2 ARG 67 -0.023 -10.744 -12.308 489 HH12 ARG 67 1HH2 ARG 67 1.138 -12.027 -12.389 490 HH21 ARG 67 2HH1 ARG 67 1.484 -12.332 -8.897 491 HH22 ARG 67 1HH1 ARG 67 2.001 -12.937 -10.436 492 H THR 68 H THR 68 -2.030 -3.590 -8.904 493 HA THR 68 HA THR 68 0.670 -2.765 -8.207 494 HB THR 68 HB THR 68 0.211 -0.833 -10.005 495 HG1 THR 68 1HG THR 68 -1.905 -1.725 -10.552 496 HG21 THR 68 1HG2 THR 68 1.443 -2.070 -11.694 497 HG22 THR 68 2HG2 THR 68 2.057 -2.634 -10.121 498 HG23 THR 68 3HG2 THR 68 0.898 -3.630 -11.033 499 H VAL 69 H VAL 69 0.560 -0.208 -7.820 500 HA VAL 69 HA VAL 69 -2.014 0.557 -6.751 501 HB VAL 69 HB VAL 69 0.426 0.203 -4.999 502 HG11 VAL 69 1HG1 VAL 69 -0.476 1.566 -3.463 503 HG12 VAL 69 2HG1 VAL 69 -1.518 2.164 -4.776 504 HG13 VAL 69 3HG1 VAL 69 -2.104 0.884 -3.686 505 HG21 VAL 69 1HG2 VAL 69 -2.256 -1.216 -5.060 506 HG22 VAL 69 2HG2 VAL 69 -0.647 -1.920 -5.353 507 HG23 VAL 69 3HG2 VAL 69 -1.085 -1.346 -3.726 508 H ALA 70 H ALA 70 -2.280 2.784 -6.780 509 HA ALA 70 HA ALA 70 -0.070 4.239 -7.994 510 HB1 ALA 70 1HB ALA 70 -2.987 4.297 -8.080 511 HB2 ALA 70 2HB ALA 70 -2.313 5.911 -7.751 512 HB3 ALA 70 3HB ALA 70 -1.805 5.013 -9.202 513 H VAL 71 H VAL 71 0.833 6.136 -7.077 514 HA VAL 71 HA VAL 71 0.006 6.689 -4.321 515 HB VAL 71 HB VAL 71 2.750 6.045 -5.370 516 HG11 VAL 71 1HG1 VAL 71 2.155 7.456 -2.748 517 HG12 VAL 71 2HG1 VAL 71 3.749 6.942 -3.351 518 HG13 VAL 71 3HG1 VAL 71 2.854 8.233 -4.189 519 HG21 VAL 71 1HG2 VAL 71 0.871 4.934 -3.334 520 HG22 VAL 71 2HG2 VAL 71 1.968 4.100 -4.460 521 HG23 VAL 71 3HG2 VAL 71 2.613 4.851 -2.980 522 H LYS 72 H LYS 72 -0.641 8.771 -4.218 523 HA LYS 72 HA LYS 72 0.728 10.659 -6.006 524 HB2 LYS 72 1HB LYS 72 -1.584 10.253 -6.709 525 HB3 LYS 72 2HB LYS 72 -2.169 10.658 -5.108 526 HG2 LYS 72 1HG LYS 72 -2.129 12.874 -5.592 527 HG3 LYS 72 2HG LYS 72 -0.433 12.794 -6.025 528 HD2 LYS 72 1HD LYS 72 -1.536 13.535 -8.011 529 HD3 LYS 72 2HD LYS 72 -1.179 11.844 -8.302 530 HE2 LYS 72 1HE LYS 72 -3.527 11.270 -7.516 531 HE3 LYS 72 2HE LYS 72 -3.862 12.986 -7.387 532 HZ1 LYS 72 1HZ LYS 72 -4.234 13.032 -9.540 533 HZ2 LYS 72 2HZ LYS 72 -2.744 12.460 -9.886 534 HZ3 LYS 72 3HZ LYS 72 -3.983 11.422 -9.647 535 H GLN 73 H GLN 73 1.818 12.292 -5.033 536 HA GLN 73 HA GLN 73 1.760 12.351 -2.184 537 HB2 GLN 73 1HB GLN 73 3.918 12.575 -3.203 538 HB3 GLN 73 2HB GLN 73 3.363 13.817 -4.308 539 HG2 GLN 73 1HG GLN 73 3.235 15.470 -2.586 540 HG3 GLN 73 2HG GLN 73 3.238 14.272 -1.307 541 HE21 GLN 73 1HE2 GLN 73 4.971 16.627 -1.998 542 HE22 GLN 73 2HE2 GLN 73 6.601 16.043 -1.958 543 H LEU 74 H LEU 74 0.283 13.516 -1.040 544 HA LEU 74 HA LEU 74 -0.708 15.981 -2.298 545 HB2 LEU 74 1HB LEU 74 -2.444 14.933 -0.251 546 HB3 LEU 74 2HB LEU 74 -2.794 15.373 -1.911 547 HG LEU 74 HG LEU 74 -1.457 12.746 -1.320 548 HD11 LEU 74 1HD1 LEU 74 -3.187 11.909 -0.218 549 HD12 LEU 74 2HD1 LEU 74 -3.985 13.500 -0.250 550 HD13 LEU 74 3HD1 LEU 74 -4.268 12.335 -1.566 551 HD21 LEU 74 1HD2 LEU 74 -2.136 12.114 -3.417 552 HD22 LEU 74 2HD2 LEU 74 -3.538 13.210 -3.421 553 HD23 LEU 74 3HD2 LEU 74 -1.899 13.861 -3.663 554 H GLY 75 H GLY 75 1.355 14.736 0.020 555 HA2 GLY 75 1HA GLY 75 0.704 16.611 2.141 556 HA3 GLY 75 2HA GLY 75 1.993 15.425 2.115 557 H VAL 76 H VAL 76 3.782 16.699 2.597 558 HA VAL 76 HA VAL 76 4.370 18.787 0.619 559 HB VAL 76 HB VAL 76 3.786 20.040 2.478 560 HG11 VAL 76 1HG1 VAL 76 4.232 19.522 4.770 561 HG12 VAL 76 2HG1 VAL 76 3.604 18.040 4.010 562 HG13 VAL 76 3HG1 VAL 76 5.348 18.209 4.323 563 HG21 VAL 76 1HG2 VAL 76 5.705 21.209 2.967 564 HG22 VAL 76 2HG2 VAL 76 6.671 19.737 3.232 565 HG23 VAL 76 3HG2 VAL 76 6.268 20.252 1.576 566 H ASN 77 H ASN 77 5.725 16.647 3.223 567 HA ASN 77 HA ASN 77 8.327 16.815 2.371 568 HB2 ASN 77 1HB ASN 77 6.698 14.945 4.049 569 HB3 ASN 77 2HB ASN 77 8.173 14.250 3.406 570 HD21 ASN 77 1HD2 ASN 77 6.788 16.799 5.364 571 HD22 ASN 77 2HD2 ASN 77 8.214 17.233 6.248 572 HA PRO 78 HA PRO 78 8.222 14.263 -1.200 573 HB2 PRO 78 1HB PRO 78 10.880 13.706 -1.498 574 HB3 PRO 78 2HB PRO 78 10.151 15.208 -2.030 575 HG2 PRO 78 1HG PRO 78 11.859 14.711 0.331 576 HG3 PRO 78 2HG PRO 78 11.478 16.234 -0.447 577 HD2 PRO 78 1HD PRO 78 10.370 15.234 2.002 578 HD3 PRO 78 2HD PRO 78 9.906 16.701 1.164 579 H SER 79 H SER 79 7.384 12.299 -1.452 580 HA SER 79 HA SER 79 8.219 10.382 0.523 581 HB2 SER 79 1HB SER 79 5.965 10.579 -1.477 582 HB3 SER 79 2HB SER 79 6.391 9.001 -0.845 583 HG SER 79 HG SER 79 5.717 9.554 1.166 584 H THR 80 H THR 80 8.752 8.090 -0.186 585 HA THR 80 HA THR 80 10.095 8.094 -2.808 586 HB THR 80 HB THR 80 11.049 6.865 -0.167 587 HG1 THR 80 1HG THR 80 12.560 8.671 -0.373 588 HG21 THR 80 1HG2 THR 80 12.517 7.265 -2.824 589 HG22 THR 80 2HG2 THR 80 13.148 6.465 -1.364 590 HG23 THR 80 3HG2 THR 80 11.842 5.703 -2.303 591 H VAL 81 H VAL 81 9.113 6.753 -4.175 592 HA VAL 81 HA VAL 81 7.628 4.519 -3.029 593 HB VAL 81 HB VAL 81 7.634 5.917 -5.699 594 HG11 VAL 81 1HG1 VAL 81 6.696 3.179 -5.009 595 HG12 VAL 81 2HG1 VAL 81 5.584 4.186 -5.968 596 HG13 VAL 81 3HG1 VAL 81 7.227 3.855 -6.567 597 HG21 VAL 81 1HG2 VAL 81 5.905 5.874 -3.295 598 HG22 VAL 81 2HG2 VAL 81 6.165 7.154 -4.505 599 HG23 VAL 81 3HG2 VAL 81 5.051 5.810 -4.855 600 H GLY 82 H GLY 82 9.375 3.130 -2.457 601 HA2 GLY 82 1HA GLY 82 10.486 1.202 -3.045 602 HA3 GLY 82 2HA GLY 82 10.450 1.669 -4.734 603 H VAL 83 H VAL 83 12.094 3.025 -5.617 604 HA VAL 83 HA VAL 83 14.221 3.777 -3.751 605 HB VAL 83 HB VAL 83 14.733 1.589 -4.795 606 HG11 VAL 83 1HG1 VAL 83 14.386 1.185 -6.960 607 HG12 VAL 83 2HG1 VAL 83 13.729 2.831 -7.134 608 HG13 VAL 83 3HG1 VAL 83 15.459 2.528 -7.420 609 HG21 VAL 83 1HG2 VAL 83 16.912 2.731 -6.045 610 HG22 VAL 83 2HG2 VAL 83 16.378 4.018 -4.937 611 HG23 VAL 83 3HG2 VAL 83 16.768 2.401 -4.302 612 H GLN 84 H GLN 84 11.892 5.081 -5.317 613 HA GLN 84 HA GLN 84 13.605 7.012 -6.676 614 HB2 GLN 84 1HB GLN 84 12.450 6.019 -8.474 615 HB3 GLN 84 2HB GLN 84 10.979 5.795 -7.547 616 HG2 GLN 84 1HG GLN 84 11.782 8.639 -7.785 617 HG3 GLN 84 2HG GLN 84 11.467 7.882 -9.334 618 HE21 GLN 84 1HE2 GLN 84 9.578 8.812 -9.830 619 HE22 GLN 84 2HE2 GLN 84 8.100 8.625 -8.946 620 H GLU 85 H GLU 85 13.248 9.190 -6.177 621 HA GLU 85 HA GLU 85 11.577 9.608 -3.893 622 HB2 GLU 85 1HB GLU 85 13.983 10.696 -4.803 623 HB3 GLU 85 2HB GLU 85 12.839 11.991 -5.099 624 HG2 GLU 85 1HG GLU 85 12.824 12.503 -2.893 625 HG3 GLU 85 2HG GLU 85 12.218 10.903 -2.513 626 H LEU 86 H LEU 86 9.731 10.969 -3.784 627 HA LEU 86 HA LEU 86 8.564 11.529 -6.408 628 HB2 LEU 86 1HB LEU 86 7.442 10.895 -3.704 629 HB3 LEU 86 2HB LEU 86 6.473 11.786 -4.861 630 HG LEU 86 HG LEU 86 7.500 8.961 -5.039 631 HD11 LEU 86 1HD1 LEU 86 5.035 8.654 -5.731 632 HD12 LEU 86 2HD1 LEU 86 5.404 9.000 -4.024 633 HD13 LEU 86 3HD1 LEU 86 4.801 10.296 -5.085 634 HD21 LEU 86 1HD2 LEU 86 6.519 8.976 -7.399 635 HD22 LEU 86 2HD2 LEU 86 6.665 10.748 -7.323 636 HD23 LEU 86 3HD2 LEU 86 8.116 9.728 -7.170 637 H LYS 87 H LYS 87 6.710 13.474 -5.792 638 HA LYS 87 HA LYS 87 8.108 15.604 -4.420 639 HB2 LYS 87 1HB LYS 87 8.131 15.336 -7.315 640 HB3 LYS 87 2HB LYS 87 7.333 16.818 -6.828 641 HG2 LYS 87 1HG LYS 87 9.250 17.595 -5.617 642 HG3 LYS 87 2HG LYS 87 9.982 16.003 -5.578 643 HD2 LYS 87 1HD LYS 87 11.213 16.817 -7.339 644 HD3 LYS 87 2HD LYS 87 9.818 16.326 -8.278 645 HE2 LYS 87 1HE LYS 87 9.522 18.479 -8.924 646 HE3 LYS 87 2HE LYS 87 9.182 18.914 -7.261 647 HZ1 LYS 87 1HZ LYS 87 11.859 18.794 -8.470 648 HZ2 LYS 87 2HZ LYS 87 11.026 20.156 -8.125 649 HZ3 LYS 87 3HZ LYS 87 11.547 19.190 -6.916 650 HA PRO 88 HA PRO 88 4.063 16.925 -3.663 651 HB2 PRO 88 1HB PRO 88 4.111 19.652 -3.844 652 HB3 PRO 88 2HB PRO 88 4.725 18.772 -2.458 653 HG2 PRO 88 1HG PRO 88 6.233 20.111 -4.620 654 HG3 PRO 88 2HG PRO 88 6.795 19.609 -3.038 655 HD2 PRO 88 1HD PRO 88 7.294 18.290 -5.536 656 HD3 PRO 88 2HD PRO 88 7.757 17.727 -3.942 657 H GLY 89 H GLY 89 2.376 16.290 -4.839 658 HA2 GLY 89 1HA GLY 89 0.681 16.844 -6.329 659 HA3 GLY 89 2HA GLY 89 1.735 17.990 -7.133 660 H LEU 90 H LEU 90 3.561 15.203 -6.522 661 HA LEU 90 HA LEU 90 3.362 14.440 -9.301 662 HB2 LEU 90 1HB LEU 90 5.456 14.721 -7.659 663 HB3 LEU 90 2HB LEU 90 5.133 13.021 -7.383 664 HG LEU 90 HG LEU 90 5.552 12.447 -9.636 665 HD11 LEU 90 1HD1 LEU 90 4.947 15.298 -10.164 666 HD12 LEU 90 2HD1 LEU 90 6.203 14.559 -11.186 667 HD13 LEU 90 3HD1 LEU 90 4.576 13.841 -11.117 668 HD21 LEU 90 1HD2 LEU 90 7.487 13.598 -8.057 669 HD22 LEU 90 2HD2 LEU 90 7.773 12.672 -9.550 670 HD23 LEU 90 3HD2 LEU 90 7.692 14.449 -9.606 671 H SER 91 H SER 91 3.727 11.796 -9.473 672 HA SER 91 HA SER 91 2.046 10.407 -7.656 673 HB2 SER 91 1HB SER 91 0.912 9.921 -10.296 674 HB3 SER 91 2HB SER 91 0.096 10.345 -8.804 675 HG SER 91 HG SER 91 0.570 11.913 -10.972 676 H GLY 92 H GLY 92 2.635 8.226 -7.639 677 HA2 GLY 92 1HA GLY 92 4.199 7.248 -9.946 678 HA3 GLY 92 2HA GLY 92 4.789 7.076 -8.305 679 H SER 93 H SER 93 4.697 4.699 -9.176 680 HA SER 93 HA SER 93 2.117 3.656 -8.327 681 HB2 SER 93 1HB SER 93 2.023 2.082 -10.110 682 HB3 SER 93 2HB SER 93 2.452 3.600 -10.874 683 HG SER 93 HG SER 93 4.055 2.434 -11.708 684 H LEU 94 H LEU 94 2.233 1.616 -7.187 685 HA LEU 94 HA LEU 94 4.981 0.876 -6.451 686 HB2 LEU 94 1HB LEU 94 2.722 1.670 -4.850 687 HB3 LEU 94 2HB LEU 94 3.188 0.029 -4.450 688 HG LEU 94 HG LEU 94 5.619 1.378 -4.536 689 HD11 LEU 94 1HD1 LEU 94 3.701 3.137 -3.000 690 HD12 LEU 94 2HD1 LEU 94 5.429 3.405 -3.335 691 HD13 LEU 94 3HD1 LEU 94 4.241 3.502 -4.656 692 HD21 LEU 94 1HD2 LEU 94 4.997 -0.353 -2.944 693 HD22 LEU 94 2HD2 LEU 94 5.603 1.090 -2.096 694 HD23 LEU 94 3HD2 LEU 94 3.855 0.758 -2.150 695 H SER 95 H SER 95 5.592 -1.213 -6.792 696 HA SER 95 HA SER 95 3.566 -2.902 -7.967 697 HB2 SER 95 1HB SER 95 6.533 -3.518 -7.729 698 HB3 SER 95 2HB SER 95 5.385 -4.200 -8.863 699 HG SER 95 HG SER 95 5.628 -2.513 -10.175 700 H LEU 96 H LEU 96 3.605 -5.308 -7.346 701 HA LEU 96 HA LEU 96 3.178 -5.564 -4.607 702 HB2 LEU 96 1HB LEU 96 3.079 -7.222 -6.996 703 HB3 LEU 96 2HB LEU 96 3.622 -8.124 -5.595 704 HG LEU 96 HG LEU 96 1.073 -6.488 -5.695 705 HD11 LEU 96 1HD1 LEU 96 1.174 -9.495 -5.710 706 HD12 LEU 96 2HD1 LEU 96 -0.154 -8.401 -6.169 707 HD13 LEU 96 3HD1 LEU 96 1.269 -8.567 -7.226 708 HD21 LEU 96 1HD2 LEU 96 1.811 -8.597 -3.666 709 HD22 LEU 96 2HD2 LEU 96 2.219 -6.878 -3.447 710 HD23 LEU 96 3HD2 LEU 96 0.517 -7.378 -3.593 711 H GLY 97 H GLY 97 4.717 -5.292 -3.075 712 HA2 GLY 97 1HA GLY 97 6.486 -6.475 -1.940 713 HA3 GLY 97 2HA GLY 97 7.270 -6.726 -3.487 714 H ASP 98 H ASP 98 6.391 -3.866 -4.325 715 HA ASP 98 HA ASP 98 8.778 -2.642 -3.724 716 HB2 ASP 98 1HB ASP 98 6.087 -1.674 -4.725 717 HB3 ASP 98 2HB ASP 98 7.336 -0.497 -4.369 718 H VAL 99 H VAL 99 9.087 -0.581 -2.407 719 HA VAL 99 HA VAL 99 7.410 -0.679 -0.003 720 HB VAL 99 HB VAL 99 10.229 0.329 -0.434 721 HG11 VAL 99 1HG1 VAL 99 8.495 0.215 2.051 722 HG12 VAL 99 2HG1 VAL 99 10.262 0.433 2.087 723 HG13 VAL 99 3HG1 VAL 99 9.230 1.649 1.295 724 HG21 VAL 99 1HG2 VAL 99 9.137 -2.192 0.847 725 HG22 VAL 99 2HG2 VAL 99 10.241 -2.057 -0.543 726 HG23 VAL 99 3HG2 VAL 99 10.801 -1.609 1.086 727 H LEU 100 H LEU 100 7.055 1.482 1.092 728 HA LEU 100 HA LEU 100 7.144 3.732 -0.742 729 HB2 LEU 100 1HB LEU 100 5.051 2.913 -1.364 730 HB3 LEU 100 2HB LEU 100 4.630 2.446 0.272 731 HG LEU 100 HG LEU 100 4.487 4.859 0.890 732 HD11 LEU 100 1HD1 LEU 100 4.841 6.591 -0.542 733 HD12 LEU 100 2HD1 LEU 100 5.997 5.422 -1.226 734 HD13 LEU 100 3HD1 LEU 100 4.402 5.644 -1.984 735 HD21 LEU 100 1HD2 LEU 100 2.381 5.300 -0.483 736 HD22 LEU 100 2HD2 LEU 100 2.714 3.745 -1.283 737 HD23 LEU 100 3HD2 LEU 100 2.432 3.799 0.473 738 H TYR 101 H TYR 101 8.764 4.528 0.705 739 HA TYR 101 HA TYR 101 8.414 4.667 3.473 740 HB2 TYR 101 1HB TYR 101 9.890 6.436 1.423 741 HB3 TYR 101 2HB TYR 101 10.224 6.466 3.143 742 HD1 TYR 101 1HD TYR 101 11.243 4.452 4.250 743 HD2 TYR 101 2HD TYR 101 10.810 4.739 0.003 744 HE1 TYR 101 1HE TYR 101 12.946 2.590 3.943 745 HE2 TYR 101 2HE TYR 101 12.515 2.876 -0.289 746 HH TYR 101 HH TYR 101 14.105 1.427 2.540 747 H LEU 102 H LEU 102 6.501 5.522 4.264 748 HA LEU 102 HA LEU 102 4.923 7.426 3.274 749 HB2 LEU 102 1HB LEU 102 5.442 6.271 5.836 750 HB3 LEU 102 2HB LEU 102 5.159 7.988 6.049 751 HG LEU 102 HG LEU 102 3.182 6.899 4.248 752 HD11 LEU 102 1HD1 LEU 102 3.995 4.925 5.957 753 HD12 LEU 102 2HD1 LEU 102 2.664 5.674 6.870 754 HD13 LEU 102 3HD1 LEU 102 2.377 5.053 5.227 755 HD21 LEU 102 1HD2 LEU 102 2.755 7.933 7.053 756 HD22 LEU 102 2HD2 LEU 102 3.135 9.001 5.681 757 HD23 LEU 102 3HD2 LEU 102 1.656 8.012 5.656 758 H VAL 103 H VAL 103 7.723 8.156 5.478 759 HA VAL 103 HA VAL 103 8.372 10.456 3.910 760 HB VAL 103 HB VAL 103 6.450 11.272 5.219 761 HG11 VAL 103 1HG1 VAL 103 8.191 10.651 7.629 762 HG12 VAL 103 2HG1 VAL 103 6.667 11.569 7.661 763 HG13 VAL 103 3HG1 VAL 103 6.662 9.851 7.194 764 HG21 VAL 103 1HG2 VAL 103 7.409 13.334 5.788 765 HG22 VAL 103 2HG2 VAL 103 8.942 12.588 6.302 766 HG23 VAL 103 3HG2 VAL 103 8.526 12.667 4.573 767 H ASN 104 H ASN 104 10.239 11.705 5.161 768 HA ASN 104 HA ASN 104 12.355 11.460 5.676 769 HB2 ASN 104 1HB ASN 104 11.525 9.808 8.085 770 HB3 ASN 104 2HB ASN 104 12.708 11.099 8.005 771 HD21 ASN 104 1HD2 ASN 104 11.556 13.177 6.913 772 HD22 ASN 104 2HD2 ASN 104 10.156 13.722 7.774 773 H GLY 105 H GLY 105 11.698 9.469 3.814 774 HA2 GLY 105 1HA GLY 105 12.076 7.333 3.129 775 HA3 GLY 105 2HA GLY 105 13.670 7.679 3.770 776 H LEU 106 H LEU 106 10.770 7.510 5.852 777 HA LEU 106 HA LEU 106 11.774 4.946 6.875 778 HB2 LEU 106 1HB LEU 106 10.982 7.448 8.315 779 HB3 LEU 106 2HB LEU 106 10.728 5.893 9.082 780 HG LEU 106 HG LEU 106 13.331 7.182 8.271 781 HD11 LEU 106 1HD1 LEU 106 13.847 6.497 10.700 782 HD12 LEU 106 2HD1 LEU 106 12.741 7.865 10.422 783 HD13 LEU 106 3HD1 LEU 106 12.089 6.267 10.859 784 HD21 LEU 106 1HD2 LEU 106 12.761 4.266 8.725 785 HD22 LEU 106 2HD2 LEU 106 13.772 5.049 7.486 786 HD23 LEU 106 3HD2 LEU 106 14.337 4.962 9.172 787 H TYR 107 H TYR 107 9.727 4.300 8.611 788 HA TYR 107 HA TYR 107 7.819 3.141 8.475 789 HB2 TYR 107 1HB TYR 107 6.713 5.664 7.146 790 HB3 TYR 107 2HB TYR 107 5.956 4.701 8.399 791 HD1 TYR 107 1HD TYR 107 7.663 4.553 10.614 792 HD2 TYR 107 2HD TYR 107 7.304 7.789 7.839 793 HE1 TYR 107 1HE TYR 107 8.534 6.168 12.374 794 HE2 TYR 107 2HE TYR 107 8.176 9.393 9.607 795 HH TYR 107 HH TYR 107 8.112 8.965 12.615 796 HA PRO 108 HA PRO 108 7.960 2.495 3.939 797 HB2 PRO 108 1HB PRO 108 9.320 0.126 3.867 798 HB3 PRO 108 2HB PRO 108 10.091 1.681 3.624 799 HG2 PRO 108 1HG PRO 108 10.176 -0.079 5.998 800 HG3 PRO 108 2HG PRO 108 11.250 1.238 5.568 801 HD2 PRO 108 1HD PRO 108 9.163 1.296 7.535 802 HD3 PRO 108 2HD PRO 108 10.158 2.644 7.023 803 H LEU 109 H LEU 109 6.284 1.615 2.862 804 HA LEU 109 HA LEU 109 4.894 -0.455 4.412 805 HB2 LEU 109 1HB LEU 109 3.921 1.787 2.671 806 HB3 LEU 109 2HB LEU 109 2.931 0.363 2.922 807 HG LEU 109 HG LEU 109 2.231 2.054 4.458 808 HD11 LEU 109 1HD1 LEU 109 2.517 -0.404 5.209 809 HD12 LEU 109 2HD1 LEU 109 3.850 0.220 6.210 810 HD13 LEU 109 3HD1 LEU 109 2.198 0.842 6.440 811 HD21 LEU 109 1HD2 LEU 109 5.143 2.252 5.256 812 HD22 LEU 109 2HD2 LEU 109 4.112 3.512 4.535 813 HD23 LEU 109 3HD2 LEU 109 3.806 2.956 6.199 814 H THR 110 H THR 110 5.222 -2.460 3.626 815 HA THR 110 HA THR 110 6.030 -2.760 0.856 816 HB THR 110 HB THR 110 5.800 -4.608 3.282 817 HG1 THR 110 1HG THR 110 8.199 -4.528 2.713 818 HG21 THR 110 1HG2 THR 110 5.492 -6.127 1.442 819 HG22 THR 110 2HG2 THR 110 6.564 -5.178 0.383 820 HG23 THR 110 3HG2 THR 110 7.249 -6.123 1.727 821 H LEU 111 H LEU 111 4.685 -3.098 -0.789 822 HA LEU 111 HA LEU 111 1.913 -3.526 -0.240 823 HB2 LEU 111 1HB LEU 111 2.377 -2.067 -1.995 824 HB3 LEU 111 2HB LEU 111 3.586 -3.124 -2.697 825 HG LEU 111 HG LEU 111 1.826 -4.693 -3.405 826 HD11 LEU 111 1HD1 LEU 111 0.207 -3.123 -1.594 827 HD12 LEU 111 2HD1 LEU 111 -0.534 -3.196 -3.211 828 HD13 LEU 111 3HD1 LEU 111 -0.127 -4.700 -2.350 829 HD21 LEU 111 1HD2 LEU 111 1.212 -1.875 -4.329 830 HD22 LEU 111 2HD2 LEU 111 2.610 -2.835 -4.871 831 HD23 LEU 111 3HD2 LEU 111 0.956 -3.393 -5.223 832 H ARG 112 H ARG 112 0.867 -5.434 -0.042 833 HA ARG 112 HA ARG 112 2.278 -7.751 -1.102 834 HB2 ARG 112 1HB ARG 112 0.798 -7.363 1.524 835 HB3 ARG 112 2HB ARG 112 0.930 -8.968 0.833 836 HG2 ARG 112 1HG ARG 112 3.347 -7.166 1.302 837 HG3 ARG 112 2HG ARG 112 2.773 -8.314 2.495 838 HD2 ARG 112 1HD ARG 112 3.362 -10.188 1.184 839 HD3 ARG 112 2HD ARG 112 3.280 -9.296 -0.322 840 HE ARG 112 HE ARG 112 5.342 -8.063 1.110 841 HH11 ARG 112 2HH2 ARG 112 4.670 -11.326 -0.024 842 HH12 ARG 112 1HH2 ARG 112 6.341 -11.749 -0.190 843 HH21 ARG 112 2HH1 ARG 112 7.547 -8.621 0.890 844 HH22 ARG 112 1HH1 ARG 112 7.989 -10.201 0.333 845 H TRP 113 H TRP 113 0.727 -9.657 -1.566 846 HA TRP 113 HA TRP 113 -1.960 -8.685 -2.232 847 HB2 TRP 113 1HB TRP 113 -1.062 -8.541 -4.329 848 HB3 TRP 113 2HB TRP 113 0.105 -9.820 -4.054 849 HD1 TRP 113 HD TRP 113 -1.178 -12.429 -3.873 850 HE1 TRP 113 1HE TRP 113 -3.048 -13.479 -5.411 851 HE3 TRP 113 3HE TRP 113 -2.895 -8.007 -5.702 852 HZ2 TRP 113 2HZ TRP 113 -4.991 -12.367 -7.180 853 HZ3 TRP 113 3HZ TRP 113 -4.782 -8.077 -7.330 854 HH2 TRP 113 HH TRP 113 -5.824 -10.160 -8.072 855 H SER 114 H SER 114 -3.529 -10.082 -1.502 856 HA SER 114 HA SER 114 -2.667 -12.352 -0.057 857 HB2 SER 114 1HB SER 114 -4.522 -11.362 0.939 858 HB3 SER 114 2HB SER 114 -5.272 -10.957 -0.592 859 HG SER 114 HG SER 114 -6.420 -12.748 -0.444 860 H GLY 115 H GLY 115 -2.774 -14.540 -0.637 861 HA2 GLY 115 1HA GLY 115 -4.376 -15.743 -2.491 862 HA3 GLY 115 2HA GLY 115 -3.030 -15.132 -3.432 863 HA PRO 116 HA PRO 116 -1.891 -19.074 -1.256 864 HB2 PRO 116 1HB PRO 116 -2.296 -20.933 -3.218 865 HB3 PRO 116 2HB PRO 116 -3.450 -20.626 -1.936 866 HG2 PRO 116 1HG PRO 116 -3.577 -19.815 -4.775 867 HG3 PRO 116 2HG PRO 116 -4.873 -19.898 -3.599 868 HD2 PRO 116 1HD PRO 116 -3.546 -17.530 -4.526 869 HD3 PRO 116 2HD PRO 116 -4.760 -17.626 -3.266 870 H SER 117 H SER 117 0.134 -20.056 -1.279 871 HA SER 117 HA SER 117 1.613 -20.115 -3.629 872 HB2 SER 117 1HB SER 117 1.618 -17.557 -2.261 873 HB3 SER 117 2HB SER 117 3.221 -18.259 -2.162 874 HG SER 117 HG SER 117 1.858 -17.229 -4.373 875 H SER 118 H SER 118 2.889 -21.884 -3.237 876 HA SER 118 HA SER 118 4.443 -21.959 -0.858 877 HB2 SER 118 1HB SER 118 2.080 -22.959 -0.317 878 HB3 SER 118 2HB SER 118 2.593 -24.326 -1.285 879 HG SER 118 HG SER 118 3.732 -25.027 0.376 880 H GLY 119 H GLY 119 3.059 -24.104 -3.461 881 HA2 GLY 119 1HA GLY 119 5.756 -25.160 -3.955 882 HA3 GLY 119 2HA GLY 119 4.237 -25.862 -4.473 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -36.471 -16.710 7.862 2 HA2 GLY 1 1HA GLY 1 -34.115 -18.493 7.997 3 HA3 GLY 1 2HA GLY 1 -35.655 -18.904 7.268 4 H SER 2 H SER 2 -35.798 -18.712 5.075 5 HA SER 2 HA SER 2 -35.380 -18.124 3.029 6 HB2 SER 2 1HB SER 2 -34.297 -15.523 4.203 7 HB3 SER 2 2HB SER 2 -34.712 -15.775 2.519 8 HG SER 2 HG SER 2 -36.925 -16.467 3.565 9 H SER 3 H SER 3 -33.538 -17.613 1.396 10 HA SER 3 HA SER 3 -30.930 -17.956 2.590 11 HB2 SER 3 1HB SER 3 -31.813 -20.254 2.091 12 HB3 SER 3 2HB SER 3 -31.999 -19.802 0.408 13 HG SER 3 HG SER 3 -29.650 -19.351 0.387 14 H GLY 4 H GLY 4 -32.673 -17.973 -0.614 15 HA2 GLY 4 1HA GLY 4 -32.540 -16.455 -2.309 16 HA3 GLY 4 2HA GLY 4 -31.362 -15.525 -1.404 17 H SER 5 H SER 5 -31.013 -15.961 -4.156 18 HA SER 5 HA SER 5 -29.703 -18.154 -4.970 19 HB2 SER 5 1HB SER 5 -30.230 -15.707 -6.050 20 HB3 SER 5 2HB SER 5 -28.499 -15.550 -5.827 21 HG SER 5 HG SER 5 -29.756 -17.785 -7.176 22 H SER 6 H SER 6 -27.296 -18.522 -5.367 23 HA SER 6 HA SER 6 -25.831 -17.578 -3.030 24 HB2 SER 6 1HB SER 6 -26.067 -19.957 -2.889 25 HB3 SER 6 2HB SER 6 -25.717 -20.180 -4.592 26 HG SER 6 HG SER 6 -23.795 -20.696 -3.650 27 H GLY 7 H GLY 7 -25.332 -18.747 -6.447 28 HA2 GLY 7 1HA GLY 7 -24.265 -16.703 -7.701 29 HA3 GLY 7 2HA GLY 7 -22.925 -17.094 -6.642 30 H MET 8 H MET 8 -21.906 -17.436 -8.899 31 HA MET 8 HA MET 8 -22.305 -20.242 -9.575 32 HB2 MET 8 1HB MET 8 -22.397 -17.789 -11.307 33 HB3 MET 8 2HB MET 8 -21.475 -19.124 -11.970 34 HG2 MET 8 1HG MET 8 -24.242 -19.634 -10.831 35 HG3 MET 8 2HG MET 8 -24.078 -18.965 -12.443 36 HE1 MET 8 1HE MET 8 -22.341 -21.652 -14.491 37 HE2 MET 8 2HE MET 8 -23.625 -20.420 -14.542 38 HE3 MET 8 3HE MET 8 -21.995 -19.984 -13.977 39 H SER 9 H SER 9 -20.141 -17.361 -10.093 40 HA SER 9 HA SER 9 -17.902 -19.199 -10.072 41 HB2 SER 9 1HB SER 9 -16.596 -17.240 -10.908 42 HB3 SER 9 2HB SER 9 -17.954 -17.634 -11.943 43 HG SER 9 HG SER 9 -17.412 -15.277 -10.749 44 H GLN 10 H GLN 10 -17.326 -19.648 -7.948 45 HA GLN 10 HA GLN 10 -16.359 -17.441 -6.425 46 HB2 GLN 10 1HB GLN 10 -18.993 -18.535 -5.876 47 HB3 GLN 10 2HB GLN 10 -17.934 -18.867 -4.520 48 HG2 GLN 10 1HG GLN 10 -18.379 -16.735 -3.852 49 HG3 GLN 10 2HG GLN 10 -17.269 -16.237 -5.113 50 HE21 GLN 10 1HE2 GLN 10 -20.655 -17.125 -4.535 51 HE22 GLN 10 2HE2 GLN 10 -21.373 -16.035 -5.673 52 H LEU 11 H LEU 11 -14.319 -18.475 -6.629 53 HA LEU 11 HA LEU 11 -14.003 -21.226 -6.018 54 HB2 LEU 11 1HB LEU 11 -12.093 -18.933 -6.428 55 HB3 LEU 11 2HB LEU 11 -11.547 -20.548 -6.021 56 HG LEU 11 HG LEU 11 -13.241 -19.916 -8.450 57 HD11 LEU 11 1HD1 LEU 11 -11.335 -19.763 -9.785 58 HD12 LEU 11 2HD1 LEU 11 -10.919 -18.809 -8.341 59 HD13 LEU 11 3HD1 LEU 11 -10.280 -20.459 -8.532 60 HD21 LEU 11 1HD2 LEU 11 -13.464 -22.211 -7.801 61 HD22 LEU 11 2HD2 LEU 11 -12.397 -22.135 -9.225 62 HD23 LEU 11 3HD2 LEU 11 -11.703 -22.383 -7.604 63 H GLY 12 H GLY 12 -12.921 -18.208 -4.296 64 HA2 GLY 12 1HA GLY 12 -13.858 -18.851 -1.796 65 HA3 GLY 12 2HA GLY 12 -12.302 -19.649 -1.907 66 H SER 13 H SER 13 -13.821 -16.440 -2.711 67 HA SER 13 HA SER 13 -13.167 -14.401 -2.360 68 HB2 SER 13 1HB SER 13 -12.755 -15.248 0.002 69 HB3 SER 13 2HB SER 13 -11.073 -15.485 -0.427 70 HG SER 13 HG SER 13 -10.823 -13.241 -0.766 71 H ARG 14 H ARG 14 -11.883 -13.015 -3.592 72 HA ARG 14 HA ARG 14 -9.750 -14.295 -5.006 73 HB2 ARG 14 1HB ARG 14 -11.139 -11.591 -5.250 74 HB3 ARG 14 2HB ARG 14 -9.719 -11.973 -6.204 75 HG2 ARG 14 1HG ARG 14 -10.899 -14.018 -7.092 76 HG3 ARG 14 2HG ARG 14 -12.328 -13.564 -6.185 77 HD2 ARG 14 1HD ARG 14 -12.925 -12.443 -8.092 78 HD3 ARG 14 2HD ARG 14 -11.821 -11.208 -7.523 79 HE ARG 14 HE ARG 14 -10.420 -13.272 -9.016 80 HH11 ARG 14 2HH2 ARG 14 -12.399 -10.384 -9.376 81 HH12 ARG 14 1HH2 ARG 14 -11.776 -9.998 -10.945 82 HH21 ARG 14 2HH1 ARG 14 -9.597 -12.762 -11.086 83 HH22 ARG 14 1HH1 ARG 14 -10.171 -11.359 -11.925 84 H GLY 15 H GLY 15 -7.782 -12.588 -5.510 85 HA2 GLY 15 1HA GLY 15 -6.287 -12.378 -3.175 86 HA3 GLY 15 2HA GLY 15 -5.949 -11.578 -4.696 87 H ARG 16 H ARG 16 -5.435 -10.411 -2.114 88 HA ARG 16 HA ARG 16 -7.130 -8.099 -2.415 89 HB2 ARG 16 1HB ARG 16 -6.568 -9.329 0.328 90 HB3 ARG 16 2HB ARG 16 -7.560 -7.920 0.004 91 HG2 ARG 16 1HG ARG 16 -8.188 -10.656 -1.187 92 HG3 ARG 16 2HG ARG 16 -8.803 -10.156 0.376 93 HD2 ARG 16 1HD ARG 16 -9.297 -8.006 -1.491 94 HD3 ARG 16 2HD ARG 16 -9.832 -9.497 -2.240 95 HE ARG 16 HE ARG 16 -10.719 -9.397 0.507 96 HH11 ARG 16 2HH2 ARG 16 -11.397 -8.045 -2.670 97 HH12 ARG 16 1HH2 ARG 16 -13.065 -7.734 -2.323 98 HH21 ARG 16 2HH1 ARG 16 -12.920 -8.987 0.966 99 HH22 ARG 16 1HH1 ARG 16 -13.937 -8.273 -0.240 100 H LEU 17 H LEU 17 -5.932 -6.191 -2.219 101 HA LEU 17 HA LEU 17 -3.105 -6.518 -1.740 102 HB2 LEU 17 1HB LEU 17 -4.812 -4.212 -2.672 103 HB3 LEU 17 2HB LEU 17 -3.088 -4.077 -2.386 104 HG LEU 17 HG LEU 17 -3.976 -6.269 -4.198 105 HD11 LEU 17 1HD1 LEU 17 -5.429 -4.541 -4.996 106 HD12 LEU 17 2HD1 LEU 17 -4.114 -3.342 -4.962 107 HD13 LEU 17 3HD1 LEU 17 -4.064 -4.685 -6.128 108 HD21 LEU 17 1HD2 LEU 17 -1.687 -4.284 -4.302 109 HD22 LEU 17 2HD2 LEU 17 -1.610 -5.945 -3.666 110 HD23 LEU 17 3HD2 LEU 17 -1.931 -5.668 -5.395 111 H TRP 18 H TRP 18 -1.908 -5.536 -0.069 112 HA TRP 18 HA TRP 18 -3.152 -3.842 1.834 113 HB2 TRP 18 1HB TRP 18 -2.894 -5.446 3.761 114 HB3 TRP 18 2HB TRP 18 -4.276 -5.687 2.712 115 HD1 TRP 18 HD TRP 18 -4.250 -7.944 1.163 116 HE1 TRP 18 1HE TRP 18 -2.964 -10.245 1.283 117 HE3 TRP 18 3HE TRP 18 -0.670 -6.374 4.414 118 HZ2 TRP 18 2HZ TRP 18 -0.646 -11.131 2.692 119 HZ3 TRP 18 3HZ TRP 18 1.068 -8.019 5.112 120 HH2 TRP 18 HH TRP 18 1.117 -10.326 4.305 121 H LEU 19 H LEU 19 -1.526 -3.143 3.456 122 HA LEU 19 HA LEU 19 1.151 -3.482 2.367 123 HB2 LEU 19 1HB LEU 19 0.134 -1.558 4.461 124 HB3 LEU 19 2HB LEU 19 1.713 -1.539 3.700 125 HG LEU 19 HG LEU 19 0.742 0.060 2.433 126 HD11 LEU 19 1HD1 LEU 19 -0.359 -2.393 1.032 127 HD12 LEU 19 2HD1 LEU 19 -0.115 -0.787 0.304 128 HD13 LEU 19 3HD1 LEU 19 1.286 -1.733 0.863 129 HD21 LEU 19 1HD2 LEU 19 -1.428 -0.292 3.832 130 HD22 LEU 19 2HD2 LEU 19 -1.509 0.551 2.266 131 HD23 LEU 19 3HD2 LEU 19 -2.004 -1.154 2.384 132 H GLN 20 H GLN 20 2.961 -4.093 3.688 133 HA GLN 20 HA GLN 20 2.109 -5.529 6.081 134 HB2 GLN 20 1HB GLN 20 2.847 -6.940 4.067 135 HB3 GLN 20 2HB GLN 20 4.458 -6.290 4.299 136 HG2 GLN 20 1HG GLN 20 4.511 -7.185 6.618 137 HG3 GLN 20 2HG GLN 20 2.872 -7.780 6.445 138 HE21 GLN 20 1HE2 GLN 20 2.725 -9.841 6.059 139 HE22 GLN 20 2HE2 GLN 20 3.831 -10.833 5.168 140 H SER 21 H SER 21 2.662 -4.109 7.722 141 HA SER 21 HA SER 21 4.970 -2.502 7.517 142 HB2 SER 21 1HB SER 21 4.338 -2.294 10.136 143 HB3 SER 21 2HB SER 21 3.462 -1.439 8.882 144 HG SER 21 HG SER 21 1.723 -2.691 9.176 145 HA PRO 22 HA PRO 22 7.814 -5.307 9.257 146 HB2 PRO 22 1HB PRO 22 9.819 -3.597 9.984 147 HB3 PRO 22 2HB PRO 22 9.599 -4.174 8.344 148 HG2 PRO 22 1HG PRO 22 8.975 -1.514 9.472 149 HG3 PRO 22 2HG PRO 22 9.166 -1.977 7.792 150 HD2 PRO 22 1HD PRO 22 6.696 -1.492 9.169 151 HD3 PRO 22 2HD PRO 22 6.884 -2.066 7.524 152 H THR 23 H THR 23 9.202 -5.802 11.246 153 HA THR 23 HA THR 23 8.981 -6.358 13.408 154 HB THR 23 HB THR 23 8.879 -3.310 13.335 155 HG1 THR 23 1HG THR 23 10.842 -4.388 12.687 156 HG21 THR 23 1HG2 THR 23 8.277 -3.413 15.565 157 HG22 THR 23 2HG2 THR 23 8.616 -5.157 15.667 158 HG23 THR 23 3HG2 THR 23 9.948 -3.983 15.795 159 H GLY 24 H GLY 24 6.537 -6.689 11.956 160 HA2 GLY 24 1HA GLY 24 4.416 -7.259 12.461 161 HA3 GLY 24 2HA GLY 24 4.752 -6.927 14.149 162 H GLY 25 H GLY 25 5.352 -4.254 14.295 163 HA2 GLY 25 1HA GLY 25 4.165 -2.343 14.625 164 HA3 GLY 25 2HA GLY 25 4.171 -2.336 12.872 165 HA PRO 26 HA PRO 26 -0.188 -2.372 13.748 166 HB2 PRO 26 1HB PRO 26 -0.960 -0.978 11.528 167 HB3 PRO 26 2HB PRO 26 -0.543 -0.208 13.046 168 HG2 PRO 26 1HG PRO 26 1.034 -0.357 10.550 169 HG3 PRO 26 2HG PRO 26 1.225 0.737 11.906 170 HD2 PRO 26 1HD PRO 26 2.844 -1.554 11.309 171 HD3 PRO 26 2HD PRO 26 2.961 -0.528 12.724 172 HA PRO 27 HA PRO 27 -1.626 -5.503 11.265 173 HB2 PRO 27 1HB PRO 27 -4.285 -5.001 10.881 174 HB3 PRO 27 2HB PRO 27 -3.643 -5.688 12.359 175 HG2 PRO 27 1HG PRO 27 -4.598 -2.936 11.858 176 HG3 PRO 27 2HG PRO 27 -4.361 -3.753 13.389 177 HD2 PRO 27 1HD PRO 27 -2.645 -1.779 12.214 178 HD3 PRO 27 2HD PRO 27 -2.350 -2.680 13.688 179 HA PRO 28 HA PRO 28 -1.609 -4.650 7.109 180 HB2 PRO 28 1HB PRO 28 -2.890 -6.777 5.968 181 HB3 PRO 28 2HB PRO 28 -1.225 -6.839 6.510 182 HG2 PRO 28 1HG PRO 28 -3.629 -8.004 7.774 183 HG3 PRO 28 2HG PRO 28 -1.944 -8.400 8.048 184 HD2 PRO 28 1HD PRO 28 -3.636 -6.826 9.748 185 HD3 PRO 28 2HD PRO 28 -1.923 -7.125 9.962 186 H ILE 29 H ILE 29 -2.555 -2.842 6.401 187 HA ILE 29 HA ILE 29 -5.408 -2.675 6.628 188 HB ILE 29 HB ILE 29 -3.253 -0.837 5.611 189 HG12 ILE 29 1HG1 ILE 29 -4.732 0.356 7.663 190 HG13 ILE 29 2HG1 ILE 29 -4.565 -1.314 8.168 191 HG21 ILE 29 1HG2 ILE 29 -6.240 -0.572 5.405 192 HG22 ILE 29 2HG2 ILE 29 -5.214 0.867 5.617 193 HG23 ILE 29 3HG2 ILE 29 -4.978 -0.193 4.207 194 HD11 ILE 29 1HD1 ILE 29 -2.496 0.792 7.900 195 HD12 ILE 29 2HD1 ILE 29 -2.512 -0.662 8.926 196 HD13 ILE 29 3HD1 ILE 29 -2.020 -0.783 7.220 197 H PHE 30 H PHE 30 -6.823 -3.486 5.187 198 HA PHE 30 HA PHE 30 -5.827 -4.367 2.635 199 HB2 PHE 30 1HB PHE 30 -8.551 -4.356 4.064 200 HB3 PHE 30 2HB PHE 30 -8.307 -5.118 2.505 201 HD1 PHE 30 1HD PHE 30 -7.623 -5.340 6.090 202 HD2 PHE 30 2HD PHE 30 -7.057 -7.193 2.315 203 HE1 PHE 30 1HE PHE 30 -6.911 -7.456 7.236 204 HE2 PHE 30 2HE PHE 30 -6.344 -9.309 3.461 205 HZ PHE 30 HZ PHE 30 -6.280 -9.416 5.908 206 H LEU 31 H LEU 31 -5.528 -2.802 1.094 207 HA LEU 31 HA LEU 31 -6.941 -0.397 1.034 208 HB2 LEU 31 1HB LEU 31 -5.616 -1.720 -1.325 209 HB3 LEU 31 2HB LEU 31 -5.858 -0.009 -1.036 210 HG LEU 31 HG LEU 31 -3.807 -1.864 0.090 211 HD11 LEU 31 1HD1 LEU 31 -3.061 0.914 -0.215 212 HD12 LEU 31 2HD1 LEU 31 -2.413 -0.538 -1.016 213 HD13 LEU 31 3HD1 LEU 31 -3.832 0.294 -1.695 214 HD21 LEU 31 1HD2 LEU 31 -4.422 -1.241 2.188 215 HD22 LEU 31 2HD2 LEU 31 -3.408 0.162 1.775 216 HD23 LEU 31 3HD2 LEU 31 -5.179 0.276 1.644 217 HA PRO 32 HA PRO 32 -10.617 -1.438 -0.971 218 HB2 PRO 32 1HB PRO 32 -11.221 0.846 -2.344 219 HB3 PRO 32 2HB PRO 32 -11.505 0.658 -0.625 220 HG2 PRO 32 1HG PRO 32 -9.386 2.196 -1.997 221 HG3 PRO 32 2HG PRO 32 -9.943 2.331 -0.341 222 HD2 PRO 32 1HD PRO 32 -7.535 1.060 -1.244 223 HD3 PRO 32 2HD PRO 32 -8.150 1.094 0.397 224 H SER 33 H SER 33 -11.347 -2.656 -2.625 225 HA SER 33 HA SER 33 -9.497 -2.811 -4.801 226 HB2 SER 33 1HB SER 33 -10.979 -4.710 -5.539 227 HB3 SER 33 2HB SER 33 -10.344 -4.899 -3.917 228 HG SER 33 HG SER 33 -12.744 -5.306 -4.316 229 H ASP 34 H ASP 34 -12.709 -1.490 -4.062 230 HA ASP 34 HA ASP 34 -13.859 -1.337 -6.481 231 HB2 ASP 34 1HB ASP 34 -14.103 -0.031 -3.950 232 HB3 ASP 34 2HB ASP 34 -14.086 1.248 -5.148 233 H GLY 35 H GLY 35 -11.101 0.513 -5.156 234 HA2 GLY 35 1HA GLY 35 -9.535 1.237 -6.944 235 HA3 GLY 35 2HA GLY 35 -10.910 2.022 -7.695 236 H GLN 36 H GLN 36 -11.691 2.355 -4.529 237 HA GLN 36 HA GLN 36 -11.331 5.013 -4.397 238 HB2 GLN 36 1HB GLN 36 -11.733 2.838 -2.389 239 HB3 GLN 36 2HB GLN 36 -11.177 4.369 -1.742 240 HG2 GLN 36 1HG GLN 36 -13.563 4.517 -1.710 241 HG3 GLN 36 2HG GLN 36 -13.069 5.491 -3.081 242 HE21 GLN 36 1HE2 GLN 36 -14.010 5.143 -4.942 243 HE22 GLN 36 2HE2 GLN 36 -14.876 3.724 -5.429 244 H ALA 37 H ALA 37 -9.918 6.193 -2.589 245 HA ALA 37 HA ALA 37 -7.167 5.194 -2.890 246 HB1 ALA 37 1HB ALA 37 -7.233 8.020 -2.425 247 HB2 ALA 37 2HB ALA 37 -6.673 7.150 -3.873 248 HB3 ALA 37 3HB ALA 37 -8.375 7.653 -3.740 249 H LEU 38 H LEU 38 -6.227 4.628 -0.997 250 HA LEU 38 HA LEU 38 -7.537 5.481 1.452 251 HB2 LEU 38 1HB LEU 38 -6.724 3.073 0.717 252 HB3 LEU 38 2HB LEU 38 -5.197 3.629 1.374 253 HG LEU 38 HG LEU 38 -6.170 3.974 3.553 254 HD11 LEU 38 1HD1 LEU 38 -8.780 3.504 2.135 255 HD12 LEU 38 2HD1 LEU 38 -8.617 3.187 3.879 256 HD13 LEU 38 3HD1 LEU 38 -8.307 4.818 3.239 257 HD21 LEU 38 1HD2 LEU 38 -5.395 1.756 3.215 258 HD22 LEU 38 2HD2 LEU 38 -6.959 1.631 4.056 259 HD23 LEU 38 3HD2 LEU 38 -6.859 1.305 2.309 260 H VAL 39 H VAL 39 -6.962 7.543 2.007 261 HA VAL 39 HA VAL 39 -4.371 8.561 1.461 262 HB VAL 39 HB VAL 39 -6.887 9.458 2.735 263 HG11 VAL 39 1HG1 VAL 39 -5.448 11.605 3.408 264 HG12 VAL 39 2HG1 VAL 39 -5.738 10.263 4.541 265 HG13 VAL 39 3HG1 VAL 39 -4.195 10.365 3.659 266 HG21 VAL 39 1HG2 VAL 39 -6.745 10.172 0.549 267 HG22 VAL 39 2HG2 VAL 39 -6.050 11.577 1.393 268 HG23 VAL 39 3HG2 VAL 39 -4.979 10.386 0.615 269 H LEU 40 H LEU 40 -2.539 7.999 2.506 270 HA LEU 40 HA LEU 40 -2.797 6.888 5.184 271 HB2 LEU 40 1HB LEU 40 -1.170 6.369 2.913 272 HB3 LEU 40 2HB LEU 40 -0.113 6.916 4.199 273 HG LEU 40 HG LEU 40 -1.100 5.172 5.697 274 HD11 LEU 40 1HD1 LEU 40 -3.245 4.802 4.742 275 HD12 LEU 40 2HD1 LEU 40 -2.545 4.372 3.162 276 HD13 LEU 40 3HD1 LEU 40 -2.325 3.289 4.558 277 HD21 LEU 40 1HD2 LEU 40 0.932 4.964 3.937 278 HD22 LEU 40 2HD2 LEU 40 0.464 3.671 5.068 279 HD23 LEU 40 3HD2 LEU 40 -0.096 3.622 3.379 280 H GLY 41 H GLY 41 -0.767 7.526 6.653 281 HA2 GLY 41 1HA GLY 41 0.713 9.610 6.824 282 HA3 GLY 41 2HA GLY 41 -0.811 10.472 6.757 283 H ARG 42 H ARG 42 -0.157 11.288 8.942 284 HA ARG 42 HA ARG 42 0.331 9.762 11.094 285 HB2 ARG 42 1HB ARG 42 -0.563 12.469 10.570 286 HB3 ARG 42 2HB ARG 42 -1.467 11.857 11.941 287 HG2 ARG 42 1HG ARG 42 0.738 11.121 12.982 288 HG3 ARG 42 2HG ARG 42 1.573 11.914 11.661 289 HD2 ARG 42 1HD ARG 42 1.445 13.410 13.635 290 HD3 ARG 42 2HD ARG 42 0.559 14.094 12.287 291 HE ARG 42 HE ARG 42 -1.062 12.433 14.105 292 HH11 ARG 42 2HH2 ARG 42 0.067 15.672 13.319 293 HH12 ARG 42 1HH2 ARG 42 -1.215 16.464 14.174 294 HH21 ARG 42 2HH1 ARG 42 -2.753 13.478 15.233 295 HH22 ARG 42 1HH1 ARG 42 -2.830 15.208 15.269 296 H GLY 43 H GLY 43 -0.988 8.840 12.826 297 HA2 GLY 43 1HA GLY 43 -3.375 8.660 13.583 298 HA3 GLY 43 2HA GLY 43 -3.728 8.168 11.938 299 HA PRO 44 HA PRO 44 -2.541 4.476 14.406 300 HB2 PRO 44 1HB PRO 44 -4.963 3.215 14.535 301 HB3 PRO 44 2HB PRO 44 -4.337 4.223 15.825 302 HG2 PRO 44 1HG PRO 44 -6.459 4.833 13.859 303 HG3 PRO 44 2HG PRO 44 -6.116 5.623 15.385 304 HD2 PRO 44 1HD PRO 44 -5.476 6.599 12.765 305 HD3 PRO 44 2HD PRO 44 -5.031 7.331 14.294 306 H LEU 45 H LEU 45 -3.568 5.301 11.423 307 HA LEU 45 HA LEU 45 -4.045 2.812 10.261 308 HB2 LEU 45 1HB LEU 45 -3.143 5.487 9.248 309 HB3 LEU 45 2HB LEU 45 -3.192 4.105 8.172 310 HG LEU 45 HG LEU 45 -5.664 3.868 9.077 311 HD11 LEU 45 1HD1 LEU 45 -6.735 5.928 9.657 312 HD12 LEU 45 2HD1 LEU 45 -5.356 5.692 10.758 313 HD13 LEU 45 3HD1 LEU 45 -5.230 6.846 9.409 314 HD21 LEU 45 1HD2 LEU 45 -4.945 4.270 6.736 315 HD22 LEU 45 2HD2 LEU 45 -6.455 5.108 7.167 316 HD23 LEU 45 3HD2 LEU 45 -4.928 6.018 7.073 317 H THR 46 H THR 46 -0.994 4.795 10.239 318 HA THR 46 HA THR 46 0.458 2.252 9.913 319 HB THR 46 HB THR 46 2.177 3.705 8.777 320 HG1 THR 46 1HG THR 46 0.867 5.560 10.123 321 HG21 THR 46 1HG2 THR 46 -0.655 3.492 7.804 322 HG22 THR 46 2HG2 THR 46 0.360 4.708 6.992 323 HG23 THR 46 3HG2 THR 46 0.854 2.998 7.001 324 H GLN 47 H GLN 47 -0.509 4.277 12.277 325 HA GLN 47 HA GLN 47 0.190 4.671 14.294 326 HB2 GLN 47 1HB GLN 47 2.341 2.637 13.585 327 HB3 GLN 47 2HB GLN 47 2.217 3.353 15.180 328 HG2 GLN 47 1HG GLN 47 -0.401 2.402 14.267 329 HG3 GLN 47 2HG GLN 47 0.783 1.112 14.200 330 HE21 GLN 47 1HE2 GLN 47 -1.357 1.056 15.922 331 HE22 GLN 47 2HE2 GLN 47 -0.823 1.179 17.565 332 H VAL 48 H VAL 48 1.146 6.232 11.904 333 HA VAL 48 HA VAL 48 3.786 7.108 12.687 334 HB VAL 48 HB VAL 48 1.867 7.760 10.462 335 HG11 VAL 48 1HG1 VAL 48 3.853 9.526 11.583 336 HG12 VAL 48 2HG1 VAL 48 4.333 9.043 9.938 337 HG13 VAL 48 3HG1 VAL 48 2.744 9.795 10.216 338 HG21 VAL 48 1HG2 VAL 48 4.732 6.865 10.194 339 HG22 VAL 48 2HG2 VAL 48 3.442 5.689 10.539 340 HG23 VAL 48 3HG2 VAL 48 3.377 6.673 9.057 341 H THR 49 H THR 49 4.250 8.875 13.930 342 HA THR 49 HA THR 49 1.953 10.564 14.680 343 HB THR 49 HB THR 49 2.965 10.685 16.913 344 HG1 THR 49 1HG THR 49 4.983 8.916 15.739 345 HG21 THR 49 1HG2 THR 49 1.687 8.553 16.481 346 HG22 THR 49 2HG2 THR 49 3.192 7.801 15.901 347 HG23 THR 49 3HG2 THR 49 3.046 8.303 17.602 348 H ASP 50 H ASP 50 5.313 10.364 13.580 349 HA ASP 50 HA ASP 50 6.337 12.727 14.084 350 HB2 ASP 50 1HB ASP 50 7.287 10.959 12.554 351 HB3 ASP 50 2HB ASP 50 6.205 11.502 11.287 352 H ARG 51 H ARG 51 5.725 14.882 13.781 353 HA ARG 51 HA ARG 51 3.282 15.505 12.698 354 HB2 ARG 51 1HB ARG 51 4.159 17.906 12.788 355 HB3 ARG 51 2HB ARG 51 4.312 17.012 14.287 356 HG2 ARG 51 1HG ARG 51 6.662 16.667 13.984 357 HG3 ARG 51 2HG ARG 51 6.591 17.055 12.277 358 HD2 ARG 51 1HD ARG 51 6.057 19.053 14.529 359 HD3 ARG 51 2HD ARG 51 7.575 18.912 13.666 360 HE ARG 51 HE ARG 51 5.246 19.294 11.914 361 HH11 ARG 51 2HH2 ARG 51 7.773 20.886 13.775 362 HH12 ARG 51 1HH2 ARG 51 7.697 22.356 12.862 363 HH21 ARG 51 2HH1 ARG 51 5.144 21.233 10.710 364 HH22 ARG 51 1HH1 ARG 51 6.191 22.555 11.107 365 H LYS 52 H LYS 52 6.496 15.175 11.242 366 HA LYS 52 HA LYS 52 6.120 16.724 8.960 367 HB2 LYS 52 1HB LYS 52 7.808 14.233 9.337 368 HB3 LYS 52 2HB LYS 52 7.968 15.388 8.029 369 HG2 LYS 52 1HG LYS 52 7.973 16.870 10.503 370 HG3 LYS 52 2HG LYS 52 9.084 15.528 10.690 371 HD2 LYS 52 1HD LYS 52 10.063 16.206 8.388 372 HD3 LYS 52 2HD LYS 52 9.128 17.681 8.534 373 HE2 LYS 52 1HE LYS 52 10.601 18.582 10.021 374 HE3 LYS 52 2HE LYS 52 10.603 17.137 11.011 375 HZ1 LYS 52 1HZ LYS 52 12.394 16.340 9.953 376 HZ2 LYS 52 2HZ LYS 52 11.986 16.944 8.491 377 HZ3 LYS 52 3HZ LYS 52 12.676 17.912 9.611 378 H CYS 53 H CYS 53 4.554 13.835 10.015 379 HA CYS 53 HA CYS 53 3.946 12.988 7.319 380 HB2 CYS 53 1HB CYS 53 4.062 11.708 9.871 381 HB3 CYS 53 2HB CYS 53 2.416 11.568 9.285 382 HG CYS 53 HG CYS 53 2.768 10.233 7.280 383 H SER 54 H SER 54 2.178 13.790 6.233 384 HA SER 54 HA SER 54 0.284 15.309 7.811 385 HB2 SER 54 1HB SER 54 1.549 15.950 5.483 386 HB3 SER 54 2HB SER 54 0.092 15.233 4.824 387 HG SER 54 HG SER 54 -0.565 17.298 5.116 388 H ARG 55 H ARG 55 -1.924 14.762 7.934 389 HA ARG 55 HA ARG 55 -2.712 12.262 7.921 390 HB2 ARG 55 1HB ARG 55 -3.983 14.731 8.137 391 HB3 ARG 55 2HB ARG 55 -4.808 14.030 6.760 392 HG2 ARG 55 1HG ARG 55 -4.680 11.889 8.561 393 HG3 ARG 55 2HG ARG 55 -4.936 13.266 9.614 394 HD2 ARG 55 1HD ARG 55 -6.647 13.371 7.207 395 HD3 ARG 55 2HD ARG 55 -6.918 11.918 8.148 396 HE ARG 55 HE ARG 55 -7.831 13.221 9.875 397 HH11 ARG 55 2HH2 ARG 55 -6.103 15.303 7.625 398 HH12 ARG 55 1HH2 ARG 55 -6.673 16.771 8.347 399 HH21 ARG 55 2HH1 ARG 55 -8.583 15.156 10.828 400 HH22 ARG 55 1HH1 ARG 55 -8.093 16.687 10.181 401 H ASN 56 H ASN 56 -2.330 14.333 5.047 402 HA ASN 56 HA ASN 56 -3.133 12.039 3.434 403 HB2 ASN 56 1HB ASN 56 -3.471 14.022 1.649 404 HB3 ASN 56 2HB ASN 56 -4.748 13.600 2.773 405 HD21 ASN 56 1HD2 ASN 56 -5.586 15.684 2.628 406 HD22 ASN 56 2HD2 ASN 56 -4.884 17.037 3.450 407 H GLN 57 H GLN 57 -0.559 11.957 4.221 408 HA GLN 57 HA GLN 57 1.194 13.632 2.850 409 HB2 GLN 57 1HB GLN 57 1.929 12.446 4.831 410 HB3 GLN 57 2HB GLN 57 1.542 10.890 4.125 411 HG2 GLN 57 1HG GLN 57 3.972 11.288 4.003 412 HG3 GLN 57 2HG GLN 57 3.296 11.221 2.388 413 HE21 GLN 57 1HE2 GLN 57 5.131 12.368 1.668 414 HE22 GLN 57 2HE2 GLN 57 5.262 14.086 1.838 415 H VAL 58 H VAL 58 -0.427 10.561 2.029 416 HA VAL 58 HA VAL 58 0.301 10.944 -0.723 417 HB VAL 58 HB VAL 58 1.146 8.531 -0.835 418 HG11 VAL 58 1HG1 VAL 58 3.422 9.222 -0.581 419 HG12 VAL 58 2HG1 VAL 58 2.503 10.636 -1.150 420 HG13 VAL 58 3HG1 VAL 58 2.971 10.510 0.563 421 HG21 VAL 58 1HG2 VAL 58 0.472 8.042 1.565 422 HG22 VAL 58 2HG2 VAL 58 2.117 7.546 1.101 423 HG23 VAL 58 3HG2 VAL 58 1.871 9.021 2.066 424 H GLU 59 H GLU 59 -0.945 9.453 -2.146 425 HA GLU 59 HA GLU 59 -3.295 8.488 -0.708 426 HB2 GLU 59 1HB GLU 59 -3.729 10.487 -2.147 427 HB3 GLU 59 2HB GLU 59 -3.147 9.604 -3.545 428 HG2 GLU 59 1HG GLU 59 -4.996 8.128 -3.558 429 HG3 GLU 59 2HG GLU 59 -5.353 8.392 -1.863 430 H LEU 60 H LEU 60 -3.049 6.286 -0.544 431 HA LEU 60 HA LEU 60 -1.781 4.862 -2.722 432 HB2 LEU 60 1HB LEU 60 -2.568 4.252 0.094 433 HB3 LEU 60 2HB LEU 60 -2.375 2.923 -1.032 434 HG LEU 60 HG LEU 60 -0.085 4.545 -1.362 435 HD11 LEU 60 1HD1 LEU 60 -1.087 4.569 1.419 436 HD12 LEU 60 2HD1 LEU 60 0.625 4.124 1.217 437 HD13 LEU 60 3HD1 LEU 60 0.028 5.676 0.581 438 HD21 LEU 60 1HD2 LEU 60 -0.350 2.053 -1.565 439 HD22 LEU 60 2HD2 LEU 60 1.109 2.595 -0.700 440 HD23 LEU 60 3HD2 LEU 60 -0.286 1.969 0.212 441 H ILE 61 H ILE 61 -2.797 3.428 -4.124 442 HA ILE 61 HA ILE 61 -5.676 3.089 -3.762 443 HB ILE 61 HB ILE 61 -4.281 4.359 -6.087 444 HG12 ILE 61 1HG1 ILE 61 -6.969 5.000 -4.862 445 HG13 ILE 61 2HG1 ILE 61 -5.472 5.629 -4.205 446 HG21 ILE 61 1HG2 ILE 61 -5.362 3.052 -7.532 447 HG22 ILE 61 2HG2 ILE 61 -6.362 2.321 -6.255 448 HG23 ILE 61 3HG2 ILE 61 -6.850 3.866 -6.991 449 HD11 ILE 61 1HD1 ILE 61 -5.892 7.337 -5.692 450 HD12 ILE 61 2HD1 ILE 61 -5.072 6.239 -6.828 451 HD13 ILE 61 3HD1 ILE 61 -6.850 6.297 -6.774 452 H ALA 62 H ALA 62 -6.127 0.959 -3.781 453 HA ALA 62 HA ALA 62 -4.129 -0.895 -4.620 454 HB1 ALA 62 1HB ALA 62 -6.400 -0.856 -2.929 455 HB2 ALA 62 2HB ALA 62 -6.752 -2.054 -4.197 456 HB3 ALA 62 3HB ALA 62 -5.280 -2.211 -3.209 457 H ASP 63 H ASP 63 -3.835 -1.757 -6.618 458 HA ASP 63 HA ASP 63 -6.070 -1.440 -8.465 459 HB2 ASP 63 1HB ASP 63 -3.294 -0.610 -8.651 460 HB3 ASP 63 2HB ASP 63 -3.601 -1.810 -9.890 461 HA PRO 64 HA PRO 64 -5.192 -5.867 -8.130 462 HB2 PRO 64 1HB PRO 64 -7.781 -6.731 -8.277 463 HB3 PRO 64 2HB PRO 64 -6.972 -6.382 -6.762 464 HG2 PRO 64 1HG PRO 64 -9.014 -4.786 -8.184 465 HG3 PRO 64 2HG PRO 64 -8.513 -4.685 -6.508 466 HD2 PRO 64 1HD PRO 64 -7.786 -2.894 -8.627 467 HD3 PRO 64 2HD PRO 64 -7.194 -2.861 -6.978 468 H GLU 65 H GLU 65 -6.063 -3.844 -10.507 469 HA GLU 65 HA GLU 65 -6.973 -5.648 -12.423 470 HB2 GLU 65 1HB GLU 65 -6.036 -2.842 -12.328 471 HB3 GLU 65 2HB GLU 65 -5.707 -3.630 -13.859 472 HG2 GLU 65 1HG GLU 65 -7.894 -3.535 -14.459 473 HG3 GLU 65 2HG GLU 65 -8.392 -4.329 -12.978 474 H SER 66 H SER 66 -3.684 -4.390 -11.596 475 HA SER 66 HA SER 66 -2.626 -6.711 -12.978 476 HB2 SER 66 1HB SER 66 -1.824 -3.817 -13.427 477 HB3 SER 66 2HB SER 66 -0.696 -5.120 -13.742 478 HG SER 66 HG SER 66 -2.772 -4.237 -15.291 479 H ARG 67 H ARG 67 -3.143 -6.057 -10.130 480 HA ARG 67 HA ARG 67 -2.189 -6.067 -8.188 481 HB2 ARG 67 1HB ARG 67 0.044 -7.417 -9.779 482 HB3 ARG 67 2HB ARG 67 0.068 -7.315 -8.030 483 HG2 ARG 67 1HG ARG 67 -1.080 -9.291 -8.102 484 HG3 ARG 67 2HG ARG 67 -2.477 -8.286 -8.434 485 HD2 ARG 67 1HD ARG 67 -1.823 -8.482 -10.946 486 HD3 ARG 67 2HD ARG 67 -0.727 -9.756 -10.450 487 HE ARG 67 HE ARG 67 -3.343 -10.236 -9.335 488 HH11 ARG 67 2HH2 ARG 67 -1.575 -10.384 -12.374 489 HH12 ARG 67 1HH2 ARG 67 -2.581 -11.623 -13.046 490 HH21 ARG 67 2HH1 ARG 67 -4.671 -11.870 -10.222 491 HH22 ARG 67 1HH1 ARG 67 -4.354 -12.474 -11.814 492 H THR 68 H THR 68 -2.029 -3.555 -9.223 493 HA THR 68 HA THR 68 0.687 -2.689 -8.483 494 HB THR 68 HB THR 68 0.080 -0.776 -10.208 495 HG1 THR 68 1HG THR 68 -1.754 -1.286 -11.354 496 HG21 THR 68 1HG2 THR 68 0.616 -3.648 -11.131 497 HG22 THR 68 2HG2 THR 68 0.798 -2.206 -12.159 498 HG23 THR 68 3HG2 THR 68 1.851 -2.428 -10.740 499 H VAL 69 H VAL 69 0.557 -0.133 -8.076 500 HA VAL 69 HA VAL 69 -1.904 0.570 -6.737 501 HB VAL 69 HB VAL 69 0.707 0.188 -5.261 502 HG11 VAL 69 1HG1 VAL 69 -1.636 1.906 -4.695 503 HG12 VAL 69 2HG1 VAL 69 -1.095 0.884 -3.341 504 HG13 VAL 69 3HG1 VAL 69 0.042 2.017 -4.112 505 HG21 VAL 69 1HG2 VAL 69 -0.569 -1.877 -5.534 506 HG22 VAL 69 2HG2 VAL 69 -0.617 -1.337 -3.839 507 HG23 VAL 69 3HG2 VAL 69 -2.028 -1.083 -4.894 508 H ALA 70 H ALA 70 -2.171 2.816 -6.597 509 HA ALA 70 HA ALA 70 -0.052 4.328 -7.948 510 HB1 ALA 70 1HB ALA 70 -1.712 5.316 -9.104 511 HB2 ALA 70 2HB ALA 70 -2.815 4.107 -8.404 512 HB3 ALA 70 3HB ALA 70 -2.611 5.689 -7.613 513 H VAL 71 H VAL 71 0.891 6.115 -6.965 514 HA VAL 71 HA VAL 71 -0.141 6.809 -4.311 515 HB VAL 71 HB VAL 71 2.759 6.355 -5.043 516 HG11 VAL 71 1HG1 VAL 71 1.641 6.854 -2.278 517 HG12 VAL 71 2HG1 VAL 71 3.331 6.932 -2.831 518 HG13 VAL 71 3HG1 VAL 71 2.170 8.183 -3.337 519 HG21 VAL 71 1HG2 VAL 71 0.685 4.566 -4.000 520 HG22 VAL 71 2HG2 VAL 71 2.290 4.193 -4.672 521 HG23 VAL 71 3HG2 VAL 71 2.126 4.646 -2.959 522 H LYS 72 H LYS 72 -0.422 8.974 -4.045 523 HA LYS 72 HA LYS 72 1.059 10.724 -5.874 524 HB2 LYS 72 1HB LYS 72 -1.169 10.463 -6.798 525 HB3 LYS 72 2HB LYS 72 -1.906 10.827 -5.251 526 HG2 LYS 72 1HG LYS 72 -1.249 13.113 -5.324 527 HG3 LYS 72 2HG LYS 72 0.010 12.816 -6.506 528 HD2 LYS 72 1HD LYS 72 -1.584 13.697 -7.932 529 HD3 LYS 72 2HD LYS 72 -2.078 12.017 -8.009 530 HE2 LYS 72 1HE LYS 72 -3.230 13.830 -5.864 531 HE3 LYS 72 2HE LYS 72 -3.878 13.885 -7.491 532 HZ1 LYS 72 1HZ LYS 72 -3.745 11.538 -5.736 533 HZ2 LYS 72 2HZ LYS 72 -5.087 12.299 -6.270 534 HZ3 LYS 72 3HZ LYS 72 -4.160 11.450 -7.313 535 H GLN 73 H GLN 73 2.225 12.221 -4.797 536 HA GLN 73 HA GLN 73 1.981 12.355 -1.992 537 HB2 GLN 73 1HB GLN 73 4.177 12.601 -2.890 538 HB3 GLN 73 2HB GLN 73 3.668 13.806 -4.055 539 HG2 GLN 73 1HG GLN 73 3.415 15.499 -2.373 540 HG3 GLN 73 2HG GLN 73 3.420 14.328 -1.070 541 HE21 GLN 73 1HE2 GLN 73 5.114 16.726 -1.928 542 HE22 GLN 73 2HE2 GLN 73 6.755 16.190 -1.778 543 H LEU 74 H LEU 74 0.602 13.610 -0.816 544 HA LEU 74 HA LEU 74 -0.404 16.041 -2.126 545 HB2 LEU 74 1HB LEU 74 -2.047 14.591 -0.106 546 HB3 LEU 74 2HB LEU 74 -2.544 15.642 -1.418 547 HG LEU 74 HG LEU 74 -1.272 13.224 -2.427 548 HD11 LEU 74 1HD1 LEU 74 -2.762 12.785 -0.095 549 HD12 LEU 74 2HD1 LEU 74 -3.844 12.343 -1.437 550 HD13 LEU 74 3HD1 LEU 74 -2.243 11.578 -1.296 551 HD21 LEU 74 1HD2 LEU 74 -2.732 14.905 -3.642 552 HD22 LEU 74 2HD2 LEU 74 -3.113 13.186 -3.906 553 HD23 LEU 74 3HD2 LEU 74 -4.119 14.163 -2.809 554 H GLY 75 H GLY 75 1.841 15.100 -0.047 555 HA2 GLY 75 1HA GLY 75 1.073 16.928 2.131 556 HA3 GLY 75 2HA GLY 75 2.299 15.679 2.202 557 H VAL 76 H VAL 76 3.955 17.146 2.891 558 HA VAL 76 HA VAL 76 4.734 19.093 0.832 559 HB VAL 76 HB VAL 76 4.057 20.041 3.002 560 HG11 VAL 76 1HG1 VAL 76 5.245 19.636 5.028 561 HG12 VAL 76 2HG1 VAL 76 4.834 18.041 4.353 562 HG13 VAL 76 3HG1 VAL 76 6.489 18.678 4.190 563 HG21 VAL 76 1HG2 VAL 76 6.972 20.557 3.033 564 HG22 VAL 76 2HG2 VAL 76 6.180 20.744 1.450 565 HG23 VAL 76 3HG2 VAL 76 5.605 21.682 2.849 566 H ASN 77 H ASN 77 5.987 16.775 3.329 567 HA ASN 77 HA ASN 77 8.590 16.846 2.387 568 HB2 ASN 77 1HB ASN 77 6.975 14.826 3.998 569 HB3 ASN 77 2HB ASN 77 8.636 14.475 3.561 570 HD21 ASN 77 1HD2 ASN 77 6.487 16.547 5.363 571 HD22 ASN 77 2HD2 ASN 77 7.660 17.281 6.405 572 HA PRO 78 HA PRO 78 8.146 14.248 -1.128 573 HB2 PRO 78 1HB PRO 78 10.765 13.639 -1.614 574 HB3 PRO 78 2HB PRO 78 10.020 15.142 -2.123 575 HG2 PRO 78 1HG PRO 78 11.895 14.667 0.113 576 HG3 PRO 78 2HG PRO 78 11.479 16.179 -0.669 577 HD2 PRO 78 1HD PRO 78 10.545 15.251 1.879 578 HD3 PRO 78 2HD PRO 78 10.041 16.707 1.045 579 H SER 79 H SER 79 7.515 12.210 -1.548 580 HA SER 79 HA SER 79 8.334 10.350 0.514 581 HB2 SER 79 1HB SER 79 6.025 10.511 -1.424 582 HB3 SER 79 2HB SER 79 6.482 8.939 -0.799 583 HG SER 79 HG SER 79 4.921 9.812 0.601 584 H THR 80 H THR 80 8.850 8.046 -0.188 585 HA THR 80 HA THR 80 10.162 8.044 -2.827 586 HB THR 80 HB THR 80 11.118 6.737 -0.225 587 HG1 THR 80 1HG THR 80 12.022 9.047 -1.795 588 HG21 THR 80 1HG2 THR 80 12.358 7.125 -2.996 589 HG22 THR 80 2HG2 THR 80 13.311 6.712 -1.550 590 HG23 THR 80 3HG2 THR 80 12.076 5.582 -2.156 591 H VAL 81 H VAL 81 9.000 6.811 -4.167 592 HA VAL 81 HA VAL 81 7.570 4.545 -3.034 593 HB VAL 81 HB VAL 81 7.479 6.085 -5.610 594 HG11 VAL 81 1HG1 VAL 81 5.548 4.299 -6.081 595 HG12 VAL 81 2HG1 VAL 81 7.223 4.055 -6.632 596 HG13 VAL 81 3HG1 VAL 81 6.647 3.254 -5.150 597 HG21 VAL 81 1HG2 VAL 81 6.049 6.184 -3.196 598 HG22 VAL 81 2HG2 VAL 81 5.647 7.004 -4.724 599 HG23 VAL 81 3HG2 VAL 81 4.950 5.407 -4.361 600 H GLY 82 H GLY 82 9.513 3.294 -2.522 601 HA2 GLY 82 1HA GLY 82 10.479 1.281 -3.244 602 HA3 GLY 82 2HA GLY 82 10.476 1.858 -4.898 603 H VAL 83 H VAL 83 12.190 3.148 -5.689 604 HA VAL 83 HA VAL 83 14.268 3.822 -3.739 605 HB VAL 83 HB VAL 83 14.747 1.639 -4.841 606 HG11 VAL 83 1HG1 VAL 83 14.442 1.360 -7.031 607 HG12 VAL 83 2HG1 VAL 83 13.968 3.068 -7.187 608 HG13 VAL 83 3HG1 VAL 83 15.675 2.598 -7.370 609 HG21 VAL 83 1HG2 VAL 83 16.486 4.031 -4.859 610 HG22 VAL 83 2HG2 VAL 83 16.749 2.421 -4.148 611 HG23 VAL 83 3HG2 VAL 83 17.042 2.685 -5.883 612 H GLN 84 H GLN 84 12.015 5.203 -5.352 613 HA GLN 84 HA GLN 84 13.806 7.132 -6.608 614 HB2 GLN 84 1HB GLN 84 12.676 6.133 -8.446 615 HB3 GLN 84 2HB GLN 84 11.153 6.037 -7.584 616 HG2 GLN 84 1HG GLN 84 10.660 8.308 -7.901 617 HG3 GLN 84 2HG GLN 84 12.346 8.773 -8.012 618 HE21 GLN 84 1HE2 GLN 84 10.452 9.661 -9.795 619 HE22 GLN 84 2HE2 GLN 84 10.744 9.008 -11.373 620 H GLU 85 H GLU 85 13.387 9.337 -6.174 621 HA GLU 85 HA GLU 85 11.715 9.734 -3.885 622 HB2 GLU 85 1HB GLU 85 14.112 10.834 -4.749 623 HB3 GLU 85 2HB GLU 85 12.975 12.113 -5.127 624 HG2 GLU 85 1HG GLU 85 12.451 12.510 -2.902 625 HG3 GLU 85 2HG GLU 85 12.643 10.830 -2.440 626 H LEU 86 H LEU 86 9.862 11.096 -3.777 627 HA LEU 86 HA LEU 86 8.692 11.635 -6.407 628 HB2 LEU 86 1HB LEU 86 7.558 10.986 -3.708 629 HB3 LEU 86 2HB LEU 86 6.585 11.843 -4.887 630 HG LEU 86 HG LEU 86 7.710 9.049 -5.061 631 HD11 LEU 86 1HD1 LEU 86 5.656 8.919 -4.021 632 HD12 LEU 86 2HD1 LEU 86 4.976 10.281 -4.943 633 HD13 LEU 86 3HD1 LEU 86 5.209 8.701 -5.730 634 HD21 LEU 86 1HD2 LEU 86 6.668 9.024 -7.391 635 HD22 LEU 86 2HD2 LEU 86 6.726 10.801 -7.314 636 HD23 LEU 86 3HD2 LEU 86 8.231 9.856 -7.206 637 H LYS 87 H LYS 87 6.865 13.568 -5.932 638 HA LYS 87 HA LYS 87 8.238 15.714 -4.522 639 HB2 LYS 87 1HB LYS 87 8.113 15.444 -7.426 640 HB3 LYS 87 2HB LYS 87 7.372 16.933 -6.877 641 HG2 LYS 87 1HG LYS 87 9.369 17.670 -5.783 642 HG3 LYS 87 2HG LYS 87 10.069 16.063 -5.782 643 HD2 LYS 87 1HD LYS 87 9.700 16.459 -8.489 644 HD3 LYS 87 2HD LYS 87 10.005 18.101 -7.959 645 HE2 LYS 87 1HE LYS 87 12.013 16.944 -6.605 646 HE3 LYS 87 2HE LYS 87 11.824 15.693 -7.818 647 HZ1 LYS 87 1HZ LYS 87 12.130 18.535 -8.486 648 HZ2 LYS 87 2HZ LYS 87 13.382 17.489 -8.411 649 HZ3 LYS 87 3HZ LYS 87 12.198 17.268 -9.514 650 HA PRO 88 HA PRO 88 4.202 16.959 -3.607 651 HB2 PRO 88 1HB PRO 88 4.205 19.687 -3.771 652 HB3 PRO 88 2HB PRO 88 4.881 18.808 -2.414 653 HG2 PRO 88 1HG PRO 88 6.291 20.183 -4.618 654 HG3 PRO 88 2HG PRO 88 6.916 19.679 -3.061 655 HD2 PRO 88 1HD PRO 88 7.345 18.384 -5.584 656 HD3 PRO 88 2HD PRO 88 7.872 17.817 -4.012 657 H GLY 89 H GLY 89 2.570 16.204 -4.805 658 HA2 GLY 89 1HA GLY 89 0.783 16.782 -6.208 659 HA3 GLY 89 2HA GLY 89 1.797 17.942 -7.044 660 H LEU 90 H LEU 90 3.703 15.206 -6.504 661 HA LEU 90 HA LEU 90 3.370 14.406 -9.265 662 HB2 LEU 90 1HB LEU 90 5.562 14.840 -7.840 663 HB3 LEU 90 2HB LEU 90 5.342 13.155 -7.411 664 HG LEU 90 HG LEU 90 5.597 12.427 -9.651 665 HD11 LEU 90 1HD1 LEU 90 4.959 15.257 -10.338 666 HD12 LEU 90 2HD1 LEU 90 6.042 14.357 -11.427 667 HD13 LEU 90 3HD1 LEU 90 4.409 13.737 -11.084 668 HD21 LEU 90 1HD2 LEU 90 7.670 14.485 -9.909 669 HD22 LEU 90 2HD2 LEU 90 7.606 13.727 -8.300 670 HD23 LEU 90 3HD2 LEU 90 7.811 12.718 -9.752 671 H SER 91 H SER 91 3.479 11.944 -9.717 672 HA SER 91 HA SER 91 2.089 10.455 -7.670 673 HB2 SER 91 1HB SER 91 0.799 9.747 -10.107 674 HB3 SER 91 2HB SER 91 0.087 10.525 -8.707 675 HG SER 91 HG SER 91 0.637 12.592 -9.590 676 H GLY 92 H GLY 92 2.597 8.225 -7.726 677 HA2 GLY 92 1HA GLY 92 4.205 7.303 -10.023 678 HA3 GLY 92 2HA GLY 92 4.792 7.116 -8.383 679 H SER 93 H SER 93 4.750 4.746 -9.164 680 HA SER 93 HA SER 93 2.160 3.674 -8.397 681 HB2 SER 93 1HB SER 93 3.827 2.899 -10.818 682 HB3 SER 93 2HB SER 93 2.653 1.797 -10.127 683 HG SER 93 HG SER 93 0.989 3.048 -10.801 684 H LEU 94 H LEU 94 2.304 1.463 -7.458 685 HA LEU 94 HA LEU 94 5.038 0.791 -6.627 686 HB2 LEU 94 1HB LEU 94 2.849 1.674 -5.007 687 HB3 LEU 94 2HB LEU 94 3.199 0.002 -4.616 688 HG LEU 94 HG LEU 94 5.713 1.244 -4.724 689 HD11 LEU 94 1HD1 LEU 94 5.605 3.196 -3.383 690 HD12 LEU 94 2HD1 LEU 94 4.421 3.413 -4.694 691 HD13 LEU 94 3HD1 LEU 94 3.870 2.969 -3.061 692 HD21 LEU 94 1HD2 LEU 94 5.908 0.567 -2.497 693 HD22 LEU 94 2HD2 LEU 94 4.172 0.792 -2.174 694 HD23 LEU 94 3HD2 LEU 94 4.720 -0.563 -3.189 695 H SER 95 H SER 95 5.616 -1.313 -6.945 696 HA SER 95 HA SER 95 3.546 -2.986 -8.074 697 HB2 SER 95 1HB SER 95 6.563 -3.421 -7.945 698 HB3 SER 95 2HB SER 95 5.427 -4.404 -8.848 699 HG SER 95 HG SER 95 6.133 -2.998 -10.384 700 H LEU 96 H LEU 96 3.702 -5.431 -7.465 701 HA LEU 96 HA LEU 96 3.277 -5.669 -4.716 702 HB2 LEU 96 1HB LEU 96 3.219 -7.357 -7.092 703 HB3 LEU 96 2HB LEU 96 3.759 -8.226 -5.669 704 HG LEU 96 HG LEU 96 1.189 -6.628 -5.820 705 HD11 LEU 96 1HD1 LEU 96 1.494 -8.775 -7.300 706 HD12 LEU 96 2HD1 LEU 96 1.253 -9.622 -5.753 707 HD13 LEU 96 3HD1 LEU 96 0.001 -8.516 -6.367 708 HD21 LEU 96 1HD2 LEU 96 2.209 -6.894 -3.554 709 HD22 LEU 96 2HD2 LEU 96 0.601 -7.636 -3.731 710 HD23 LEU 96 3HD2 LEU 96 2.059 -8.657 -3.749 711 H GLY 97 H GLY 97 4.854 -5.267 -3.240 712 HA2 GLY 97 1HA GLY 97 6.651 -6.446 -2.100 713 HA3 GLY 97 2HA GLY 97 7.432 -6.660 -3.655 714 H ASP 98 H ASP 98 6.489 -3.844 -4.503 715 HA ASP 98 HA ASP 98 8.823 -2.539 -3.896 716 HB2 ASP 98 1HB ASP 98 6.117 -1.727 -4.950 717 HB3 ASP 98 2HB ASP 98 7.216 -0.445 -4.479 718 H VAL 99 H VAL 99 9.168 -0.595 -2.494 719 HA VAL 99 HA VAL 99 7.471 -0.713 -0.112 720 HB VAL 99 HB VAL 99 10.273 0.330 -0.568 721 HG11 VAL 99 1HG1 VAL 99 10.272 0.414 1.996 722 HG12 VAL 99 2HG1 VAL 99 9.390 1.700 1.137 723 HG13 VAL 99 3HG1 VAL 99 8.497 0.351 1.880 724 HG21 VAL 99 1HG2 VAL 99 9.144 -2.225 0.534 725 HG22 VAL 99 2HG2 VAL 99 10.531 -1.966 -0.551 726 HG23 VAL 99 3HG2 VAL 99 10.676 -1.593 1.183 727 H LEU 100 H LEU 100 7.099 1.438 1.018 728 HA LEU 100 HA LEU 100 7.103 3.701 -0.799 729 HB2 LEU 100 1HB LEU 100 5.015 2.762 -1.367 730 HB3 LEU 100 2HB LEU 100 4.620 2.409 0.304 731 HG LEU 100 HG LEU 100 4.445 4.838 0.768 732 HD11 LEU 100 1HD1 LEU 100 4.727 6.504 -0.798 733 HD12 LEU 100 2HD1 LEU 100 6.016 5.364 -1.254 734 HD13 LEU 100 3HD1 LEU 100 4.495 5.404 -2.178 735 HD21 LEU 100 1HD2 LEU 100 2.369 5.209 -0.685 736 HD22 LEU 100 2HD2 LEU 100 2.712 3.603 -1.370 737 HD23 LEU 100 3HD2 LEU 100 2.393 3.777 0.372 738 H TYR 101 H TYR 101 8.747 4.485 0.643 739 HA TYR 101 HA TYR 101 8.440 4.605 3.409 740 HB2 TYR 101 1HB TYR 101 9.834 6.423 1.346 741 HB3 TYR 101 2HB TYR 101 10.195 6.459 3.060 742 HD1 TYR 101 1HD TYR 101 11.269 4.457 4.148 743 HD2 TYR 101 2HD TYR 101 10.790 4.766 -0.093 744 HE1 TYR 101 1HE TYR 101 13.016 2.641 3.810 745 HE2 TYR 101 2HE TYR 101 12.538 2.949 -0.415 746 HH TYR 101 HH TYR 101 14.607 2.150 1.119 747 H LEU 102 H LEU 102 6.534 5.412 4.261 748 HA LEU 102 HA LEU 102 4.884 7.282 3.322 749 HB2 LEU 102 1HB LEU 102 5.380 6.033 5.784 750 HB3 LEU 102 2HB LEU 102 5.309 7.747 6.143 751 HG LEU 102 HG LEU 102 3.133 6.957 4.378 752 HD11 LEU 102 1HD1 LEU 102 1.964 5.749 6.405 753 HD12 LEU 102 2HD1 LEU 102 2.960 4.841 5.242 754 HD13 LEU 102 3HD1 LEU 102 3.636 5.304 6.822 755 HD21 LEU 102 1HD2 LEU 102 1.789 8.153 5.971 756 HD22 LEU 102 2HD2 LEU 102 3.087 8.088 7.188 757 HD23 LEU 102 3HD2 LEU 102 3.301 9.054 5.708 758 H VAL 103 H VAL 103 7.724 8.063 5.457 759 HA VAL 103 HA VAL 103 8.318 10.364 3.890 760 HB VAL 103 HB VAL 103 6.331 11.105 5.205 761 HG11 VAL 103 1HG1 VAL 103 6.564 9.904 7.254 762 HG12 VAL 103 2HG1 VAL 103 8.188 10.575 7.542 763 HG13 VAL 103 3HG1 VAL 103 6.758 11.630 7.644 764 HG21 VAL 103 1HG2 VAL 103 8.438 12.524 4.457 765 HG22 VAL 103 2HG2 VAL 103 7.151 13.240 5.456 766 HG23 VAL 103 3HG2 VAL 103 8.665 12.691 6.214 767 H ASN 104 H ASN 104 10.122 11.689 5.182 768 HA ASN 104 HA ASN 104 12.216 11.543 5.784 769 HB2 ASN 104 1HB ASN 104 10.547 10.862 8.008 770 HB3 ASN 104 2HB ASN 104 11.927 9.787 8.110 771 HD21 ASN 104 1HD2 ASN 104 10.751 12.994 8.402 772 HD22 ASN 104 2HD2 ASN 104 12.207 13.776 8.920 773 H GLY 105 H GLY 105 11.438 9.464 3.895 774 HA2 GLY 105 1HA GLY 105 12.033 7.444 3.088 775 HA3 GLY 105 2HA GLY 105 13.598 7.819 3.783 776 H LEU 106 H LEU 106 10.804 7.566 5.937 777 HA LEU 106 HA LEU 106 11.782 4.924 6.772 778 HB2 LEU 106 1HB LEU 106 10.973 7.321 8.398 779 HB3 LEU 106 2HB LEU 106 10.906 5.702 9.066 780 HG LEU 106 HG LEU 106 13.366 7.140 8.040 781 HD11 LEU 106 1HD1 LEU 106 12.508 6.296 10.820 782 HD12 LEU 106 2HD1 LEU 106 14.117 6.929 10.399 783 HD13 LEU 106 3HD1 LEU 106 12.676 7.955 10.197 784 HD21 LEU 106 1HD2 LEU 106 14.517 5.056 9.074 785 HD22 LEU 106 2HD2 LEU 106 12.942 4.268 8.819 786 HD23 LEU 106 3HD2 LEU 106 13.829 4.951 7.436 787 H TYR 107 H TYR 107 9.778 4.229 8.547 788 HA TYR 107 HA TYR 107 7.843 3.117 8.438 789 HB2 TYR 107 1HB TYR 107 6.684 5.635 7.171 790 HB3 TYR 107 2HB TYR 107 6.031 4.705 8.505 791 HD1 TYR 107 1HD TYR 107 7.963 4.611 10.559 792 HD2 TYR 107 2HD TYR 107 7.263 7.788 7.780 793 HE1 TYR 107 1HE TYR 107 8.962 6.276 12.200 794 HE2 TYR 107 2HE TYR 107 8.265 9.442 9.431 795 HH TYR 107 HH TYR 107 8.635 9.641 11.776 796 HA PRO 108 HA PRO 108 7.884 2.566 3.887 797 HB2 PRO 108 1HB PRO 108 9.224 0.189 3.734 798 HB3 PRO 108 2HB PRO 108 10.001 1.743 3.506 799 HG2 PRO 108 1HG PRO 108 10.126 -0.068 5.839 800 HG3 PRO 108 2HG PRO 108 11.200 1.250 5.414 801 HD2 PRO 108 1HD PRO 108 9.158 1.281 7.428 802 HD3 PRO 108 2HD PRO 108 10.153 2.633 6.923 803 H LEU 109 H LEU 109 6.173 1.728 2.834 804 HA LEU 109 HA LEU 109 4.810 -0.376 4.364 805 HB2 LEU 109 1HB LEU 109 3.794 1.913 2.706 806 HB3 LEU 109 2HB LEU 109 2.804 0.494 2.983 807 HG LEU 109 HG LEU 109 2.210 2.215 4.558 808 HD11 LEU 109 1HD1 LEU 109 3.765 0.310 6.273 809 HD12 LEU 109 2HD1 LEU 109 2.105 0.925 6.461 810 HD13 LEU 109 3HD1 LEU 109 2.464 -0.304 5.225 811 HD21 LEU 109 1HD2 LEU 109 5.091 2.189 5.499 812 HD22 LEU 109 2HD2 LEU 109 4.331 3.465 4.518 813 HD23 LEU 109 3HD2 LEU 109 3.759 3.156 6.175 814 H THR 110 H THR 110 5.416 -2.309 3.508 815 HA THR 110 HA THR 110 6.012 -2.529 0.703 816 HB THR 110 HB THR 110 5.957 -4.398 3.114 817 HG1 THR 110 1HG THR 110 7.751 -2.901 2.792 818 HG21 THR 110 1HG2 THR 110 6.478 -5.014 0.167 819 HG22 THR 110 2HG2 THR 110 7.210 -5.972 1.476 820 HG23 THR 110 3HG2 THR 110 5.439 -5.911 1.300 821 H LEU 111 H LEU 111 4.723 -3.128 -0.937 822 HA LEU 111 HA LEU 111 1.936 -3.495 -0.323 823 HB2 LEU 111 1HB LEU 111 2.284 -2.085 -2.117 824 HB3 LEU 111 2HB LEU 111 3.575 -3.063 -2.786 825 HG LEU 111 HG LEU 111 1.963 -4.751 -3.524 826 HD11 LEU 111 1HD1 LEU 111 -0.470 -3.207 -3.126 827 HD12 LEU 111 2HD1 LEU 111 -0.126 -4.919 -2.780 828 HD13 LEU 111 3HD1 LEU 111 0.290 -3.669 -1.584 829 HD21 LEU 111 1HD2 LEU 111 2.501 -3.075 -5.127 830 HD22 LEU 111 2HD2 LEU 111 0.744 -3.344 -5.215 831 HD23 LEU 111 3HD2 LEU 111 1.384 -1.908 -4.381 832 H ARG 112 H ARG 112 0.816 -5.393 -0.274 833 HA ARG 112 HA ARG 112 2.265 -7.720 -1.244 834 HB2 ARG 112 1HB ARG 112 0.758 -7.366 1.382 835 HB3 ARG 112 2HB ARG 112 1.041 -8.960 0.711 836 HG2 ARG 112 1HG ARG 112 3.314 -6.975 1.131 837 HG3 ARG 112 2HG ARG 112 2.787 -8.053 2.407 838 HD2 ARG 112 1HD ARG 112 3.347 -10.024 1.106 839 HD3 ARG 112 2HD ARG 112 3.557 -9.084 -0.358 840 HE ARG 112 HE ARG 112 5.387 -7.957 1.403 841 HH11 ARG 112 2HH2 ARG 112 4.784 -11.220 0.232 842 HH12 ARG 112 1HH2 ARG 112 6.436 -11.717 0.383 843 HH21 ARG 112 2HH1 ARG 112 7.567 -8.612 1.602 844 HH22 ARG 112 1HH1 ARG 112 8.030 -10.224 1.168 845 H TRP 113 H TRP 113 0.664 -9.671 -1.542 846 HA TRP 113 HA TRP 113 -2.046 -8.762 -2.124 847 HB2 TRP 113 1HB TRP 113 -1.191 -8.414 -4.241 848 HB3 TRP 113 2HB TRP 113 -0.057 -9.747 -4.132 849 HD1 TRP 113 HD TRP 113 -1.364 -12.321 -4.164 850 HE1 TRP 113 1HE TRP 113 -3.368 -13.185 -5.647 851 HE3 TRP 113 3HE TRP 113 -3.153 -7.714 -5.360 852 HZ2 TRP 113 2HZ TRP 113 -5.431 -11.874 -7.121 853 HZ3 TRP 113 3HZ TRP 113 -5.166 -7.594 -6.826 854 HH2 TRP 113 HH TRP 113 -6.298 -9.577 -7.698 855 H SER 114 H SER 114 -3.480 -10.267 -1.351 856 HA SER 114 HA SER 114 -2.420 -12.596 -0.154 857 HB2 SER 114 1HB SER 114 -4.233 -11.700 1.029 858 HB3 SER 114 2HB SER 114 -5.143 -11.333 -0.423 859 HG SER 114 HG SER 114 -4.595 -14.078 0.142 860 H GLY 115 H GLY 115 -2.973 -14.836 -0.692 861 HA2 GLY 115 1HA GLY 115 -4.355 -15.390 -3.164 862 HA3 GLY 115 2HA GLY 115 -2.621 -15.627 -3.254 863 HA PRO 116 HA PRO 116 -4.693 -19.247 -1.213 864 HB2 PRO 116 1HB PRO 116 -4.932 -20.999 -3.297 865 HB3 PRO 116 2HB PRO 116 -6.254 -19.997 -2.730 866 HG2 PRO 116 1HG PRO 116 -4.600 -19.683 -5.160 867 HG3 PRO 116 2HG PRO 116 -6.160 -18.973 -4.795 868 HD2 PRO 116 1HD PRO 116 -3.612 -17.660 -4.695 869 HD3 PRO 116 2HD PRO 116 -5.158 -16.986 -4.219 870 H SER 117 H SER 117 -2.238 -18.527 -0.756 871 HA SER 117 HA SER 117 -0.142 -19.153 -0.624 872 HB2 SER 117 1HB SER 117 -1.604 -21.781 -0.156 873 HB3 SER 117 2HB SER 117 0.121 -21.619 0.104 874 HG SER 117 HG SER 117 -0.231 -20.111 1.751 875 H SER 118 H SER 118 0.652 -18.735 -2.761 876 HA SER 118 HA SER 118 1.666 -20.986 -4.056 877 HB2 SER 118 1HB SER 118 -0.948 -20.576 -4.802 878 HB3 SER 118 2HB SER 118 -0.121 -19.594 -5.995 879 HG SER 118 HG SER 118 1.268 -21.552 -6.387 880 H GLY 119 H GLY 119 3.504 -20.329 -5.181 881 HA2 GLY 119 1HA GLY 119 4.659 -17.922 -4.917 882 HA3 GLY 119 2HA GLY 119 4.927 -18.965 -6.300 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -23.030 -32.867 2.321 2 HA2 GLY 1 1HA GLY 1 -21.422 -31.951 0.033 3 HA3 GLY 1 2HA GLY 1 -21.471 -33.571 0.700 4 H SER 2 H SER 2 -22.439 -31.734 -1.906 5 HA SER 2 HA SER 2 -24.228 -33.769 -2.742 6 HB2 SER 2 1HB SER 2 -25.836 -32.423 -1.486 7 HB3 SER 2 2HB SER 2 -25.281 -30.950 -2.256 8 HG SER 2 HG SER 2 -27.179 -31.613 -3.315 9 H SER 3 H SER 3 -23.368 -30.279 -3.350 10 HA SER 3 HA SER 3 -22.582 -29.251 -5.091 11 HB2 SER 3 1HB SER 3 -21.576 -31.979 -6.016 12 HB3 SER 3 2HB SER 3 -21.024 -30.433 -6.629 13 HG SER 3 HG SER 3 -19.561 -30.582 -5.067 14 H GLY 4 H GLY 4 -24.227 -28.436 -6.353 15 HA2 GLY 4 1HA GLY 4 -25.175 -30.093 -8.570 16 HA3 GLY 4 2HA GLY 4 -26.371 -29.503 -7.433 17 H SER 5 H SER 5 -27.428 -27.757 -8.265 18 HA SER 5 HA SER 5 -25.759 -25.809 -9.656 19 HB2 SER 5 1HB SER 5 -28.098 -27.196 -10.548 20 HB3 SER 5 2HB SER 5 -28.573 -25.527 -10.303 21 HG SER 5 HG SER 5 -27.277 -24.859 -11.918 22 H SER 6 H SER 6 -25.554 -23.906 -8.539 23 HA SER 6 HA SER 6 -27.723 -22.544 -7.523 24 HB2 SER 6 1HB SER 6 -27.379 -22.718 -5.096 25 HB3 SER 6 2HB SER 6 -27.745 -24.296 -5.767 26 HG SER 6 HG SER 6 -25.903 -24.986 -4.946 27 H GLY 7 H GLY 7 -26.886 -20.606 -6.064 28 HA2 GLY 7 1HA GLY 7 -24.906 -19.239 -7.423 29 HA3 GLY 7 2HA GLY 7 -25.484 -18.869 -5.810 30 H MET 8 H MET 8 -24.347 -19.643 -3.941 31 HA MET 8 HA MET 8 -22.587 -20.183 -2.786 32 HB2 MET 8 1HB MET 8 -22.977 -22.320 -4.654 33 HB3 MET 8 2HB MET 8 -21.247 -22.040 -4.629 34 HG2 MET 8 1HG MET 8 -22.125 -21.932 -1.900 35 HG3 MET 8 2HG MET 8 -22.904 -23.328 -2.617 36 HE1 MET 8 1HE MET 8 -19.780 -24.564 -0.625 37 HE2 MET 8 2HE MET 8 -21.372 -23.793 -0.431 38 HE3 MET 8 3HE MET 8 -21.236 -25.356 -1.272 39 H SER 9 H SER 9 -20.198 -19.929 -2.575 40 HA SER 9 HA SER 9 -18.307 -18.950 -2.993 41 HB2 SER 9 1HB SER 9 -18.487 -20.431 -5.137 42 HB3 SER 9 2HB SER 9 -18.873 -18.942 -5.977 43 HG SER 9 HG SER 9 -16.651 -19.151 -6.140 44 H GLN 10 H GLN 10 -17.312 -16.816 -3.765 45 HA GLN 10 HA GLN 10 -19.427 -14.905 -4.373 46 HB2 GLN 10 1HB GLN 10 -18.448 -15.013 -1.905 47 HB3 GLN 10 2HB GLN 10 -17.102 -14.135 -2.603 48 HG2 GLN 10 1HG GLN 10 -19.767 -13.072 -3.385 49 HG3 GLN 10 2HG GLN 10 -19.443 -12.977 -1.666 50 HE21 GLN 10 1HE2 GLN 10 -19.474 -11.110 -4.146 51 HE22 GLN 10 2HE2 GLN 10 -18.068 -10.118 -3.948 52 H LEU 11 H LEU 11 -18.967 -14.453 -6.514 53 HA LEU 11 HA LEU 11 -16.368 -14.472 -7.562 54 HB2 LEU 11 1HB LEU 11 -18.940 -13.252 -8.567 55 HB3 LEU 11 2HB LEU 11 -17.460 -13.332 -9.501 56 HG LEU 11 HG LEU 11 -18.159 -15.952 -8.461 57 HD11 LEU 11 1HD1 LEU 11 -20.183 -16.290 -9.867 58 HD12 LEU 11 2HD1 LEU 11 -20.446 -15.209 -8.477 59 HD13 LEU 11 3HD1 LEU 11 -20.263 -14.529 -10.111 60 HD21 LEU 11 1HD2 LEU 11 -17.293 -14.676 -10.974 61 HD22 LEU 11 2HD2 LEU 11 -16.795 -16.212 -10.225 62 HD23 LEU 11 3HD2 LEU 11 -18.298 -16.132 -11.174 63 H GLY 12 H GLY 12 -14.745 -13.008 -7.469 64 HA2 GLY 12 1HA GLY 12 -15.347 -10.184 -7.207 65 HA3 GLY 12 2HA GLY 12 -14.583 -10.909 -5.807 66 H SER 13 H SER 13 -12.376 -10.933 -5.765 67 HA SER 13 HA SER 13 -11.063 -10.737 -8.363 68 HB2 SER 13 1HB SER 13 -9.253 -9.483 -7.209 69 HB3 SER 13 2HB SER 13 -10.797 -8.664 -7.083 70 HG SER 13 HG SER 13 -9.203 -9.287 -5.076 71 H ARG 14 H ARG 14 -8.595 -11.491 -8.106 72 HA ARG 14 HA ARG 14 -8.794 -14.134 -7.031 73 HB2 ARG 14 1HB ARG 14 -6.748 -12.665 -8.741 74 HB3 ARG 14 2HB ARG 14 -6.371 -14.235 -8.062 75 HG2 ARG 14 1HG ARG 14 -7.383 -15.106 -9.909 76 HG3 ARG 14 2HG ARG 14 -8.896 -14.680 -9.135 77 HD2 ARG 14 1HD ARG 14 -8.396 -12.278 -10.234 78 HD3 ARG 14 2HD ARG 14 -7.413 -13.228 -11.330 79 HE ARG 14 HE ARG 14 -9.858 -14.597 -11.178 80 HH11 ARG 14 2HH2 ARG 14 -8.806 -11.376 -12.129 81 HH12 ARG 14 1HH2 ARG 14 -10.092 -11.153 -13.268 82 HH21 ARG 14 2HH1 ARG 14 -11.554 -14.303 -12.681 83 HH22 ARG 14 1HH1 ARG 14 -11.665 -12.830 -13.584 84 H GLY 15 H GLY 15 -8.063 -11.151 -5.748 85 HA2 GLY 15 1HA GLY 15 -6.943 -12.114 -3.386 86 HA3 GLY 15 2HA GLY 15 -5.618 -11.571 -4.396 87 H ARG 16 H ARG 16 -5.810 -10.158 -2.148 88 HA ARG 16 HA ARG 16 -7.117 -7.718 -3.038 89 HB2 ARG 16 1HB ARG 16 -6.854 -8.510 -0.103 90 HB3 ARG 16 2HB ARG 16 -7.822 -7.211 -0.771 91 HG2 ARG 16 1HG ARG 16 -8.332 -10.088 -1.603 92 HG3 ARG 16 2HG ARG 16 -9.001 -9.468 -0.106 93 HD2 ARG 16 1HD ARG 16 -9.746 -7.441 -1.767 94 HD3 ARG 16 2HD ARG 16 -9.686 -8.741 -2.941 95 HE ARG 16 HE ARG 16 -11.110 -9.918 -0.932 96 HH11 ARG 16 2HH2 ARG 16 -11.430 -6.769 -2.470 97 HH12 ARG 16 1HH2 ARG 16 -13.140 -6.674 -2.208 98 HH21 ARG 16 2HH1 ARG 16 -13.365 -9.792 -0.587 99 HH22 ARG 16 1HH1 ARG 16 -14.248 -8.404 -1.130 100 H LEU 17 H LEU 17 -5.869 -5.812 -2.790 101 HA LEU 17 HA LEU 17 -3.086 -6.270 -2.188 102 HB2 LEU 17 1HB LEU 17 -4.639 -3.918 -3.259 103 HB3 LEU 17 2HB LEU 17 -2.927 -3.842 -2.893 104 HG LEU 17 HG LEU 17 -3.831 -6.048 -4.686 105 HD11 LEU 17 1HD1 LEU 17 -3.297 -3.574 -6.163 106 HD12 LEU 17 2HD1 LEU 17 -4.540 -4.823 -6.414 107 HD13 LEU 17 3HD1 LEU 17 -4.805 -3.531 -5.219 108 HD21 LEU 17 1HD2 LEU 17 -1.499 -5.922 -4.110 109 HD22 LEU 17 2HD2 LEU 17 -1.692 -5.484 -5.824 110 HD23 LEU 17 3HD2 LEU 17 -1.421 -4.214 -4.606 111 H TRP 18 H TRP 18 -1.894 -5.282 -0.510 112 HA TRP 18 HA TRP 18 -3.165 -3.506 1.316 113 HB2 TRP 18 1HB TRP 18 -2.933 -5.062 3.285 114 HB3 TRP 18 2HB TRP 18 -4.297 -5.334 2.220 115 HD1 TRP 18 HD TRP 18 -4.263 -7.640 0.762 116 HE1 TRP 18 1HE TRP 18 -2.961 -9.928 0.946 117 HE3 TRP 18 3HE TRP 18 -0.680 -5.947 3.948 118 HZ2 TRP 18 2HZ TRP 18 -0.631 -10.754 2.371 119 HZ3 TRP 18 3HZ TRP 18 1.072 -7.559 4.687 120 HH2 TRP 18 HH TRP 18 1.134 -9.888 3.951 121 H LEU 19 H LEU 19 -1.557 -2.980 3.131 122 HA LEU 19 HA LEU 19 1.148 -3.321 2.055 123 HB2 LEU 19 1HB LEU 19 0.242 -1.248 4.041 124 HB3 LEU 19 2HB LEU 19 1.716 -1.276 3.094 125 HG LEU 19 HG LEU 19 0.471 0.322 1.998 126 HD11 LEU 19 1HD1 LEU 19 0.181 -0.460 -0.135 127 HD12 LEU 19 2HD1 LEU 19 1.117 -1.799 0.572 128 HD13 LEU 19 3HD1 LEU 19 -0.648 -1.943 0.396 129 HD21 LEU 19 1HD2 LEU 19 -1.652 -0.565 3.399 130 HD22 LEU 19 2HD2 LEU 19 -1.769 0.597 2.056 131 HD23 LEU 19 3HD2 LEU 19 -2.105 -1.128 1.772 132 H GLN 20 H GLN 20 2.873 -3.951 3.437 133 HA GLN 20 HA GLN 20 1.896 -5.228 5.870 134 HB2 GLN 20 1HB GLN 20 2.798 -6.735 4.044 135 HB3 GLN 20 2HB GLN 20 4.361 -5.966 4.234 136 HG2 GLN 20 1HG GLN 20 4.236 -6.606 6.730 137 HG3 GLN 20 2HG GLN 20 2.841 -7.586 6.323 138 HE21 GLN 20 1HE2 GLN 20 3.274 -9.625 6.047 139 HE22 GLN 20 2HE2 GLN 20 4.716 -10.321 5.386 140 H SER 21 H SER 21 2.213 -3.548 7.368 141 HA SER 21 HA SER 21 4.488 -1.932 7.316 142 HB2 SER 21 1HB SER 21 3.658 -1.603 9.852 143 HB3 SER 21 2HB SER 21 2.808 -0.890 8.495 144 HG SER 21 HG SER 21 1.111 -1.977 9.211 145 HA PRO 22 HA PRO 22 7.298 -4.533 9.396 146 HB2 PRO 22 1HB PRO 22 9.179 -2.710 10.173 147 HB3 PRO 22 2HB PRO 22 9.102 -3.377 8.554 148 HG2 PRO 22 1HG PRO 22 8.299 -0.691 9.491 149 HG3 PRO 22 2HG PRO 22 8.630 -1.230 7.857 150 HD2 PRO 22 1HD PRO 22 6.050 -0.776 9.025 151 HD3 PRO 22 2HD PRO 22 6.379 -1.425 7.431 152 H THR 23 H THR 23 8.388 -5.054 11.472 153 HA THR 23 HA THR 23 8.180 -5.377 13.663 154 HB THR 23 HB THR 23 8.607 -2.661 13.239 155 HG1 THR 23 1HG THR 23 9.599 -4.111 14.824 156 HG21 THR 23 1HG2 THR 23 6.019 -2.460 13.825 157 HG22 THR 23 2HG2 THR 23 6.565 -2.830 15.479 158 HG23 THR 23 3HG2 THR 23 7.183 -1.387 14.639 159 H GLY 24 H GLY 24 5.723 -5.474 11.722 160 HA2 GLY 24 1HA GLY 24 3.624 -6.258 11.951 161 HA3 GLY 24 2HA GLY 24 3.913 -6.461 13.668 162 H GLY 25 H GLY 25 4.324 -3.992 14.718 163 HA2 GLY 25 1HA GLY 25 3.000 -2.360 15.595 164 HA3 GLY 25 2HA GLY 25 3.127 -1.745 13.959 165 HA PRO 26 HA PRO 26 -1.240 -2.141 14.060 166 HB2 PRO 26 1HB PRO 26 -1.764 -0.772 11.754 167 HB3 PRO 26 2HB PRO 26 -1.551 0.012 13.306 168 HG2 PRO 26 1HG PRO 26 0.320 -0.115 11.021 169 HG3 PRO 26 2HG PRO 26 0.323 0.989 12.382 170 HD2 PRO 26 1HD PRO 26 2.049 -1.271 12.001 171 HD3 PRO 26 2HD PRO 26 1.973 -0.236 13.413 172 HA PRO 27 HA PRO 27 -2.291 -5.323 11.452 173 HB2 PRO 27 1HB PRO 27 -4.908 -4.905 10.787 174 HB3 PRO 27 2HB PRO 27 -4.406 -5.573 12.327 175 HG2 PRO 27 1HG PRO 27 -5.389 -2.852 11.721 176 HG3 PRO 27 2HG PRO 27 -5.290 -3.664 13.271 177 HD2 PRO 27 1HD PRO 27 -3.522 -1.634 12.280 178 HD3 PRO 27 2HD PRO 27 -3.357 -2.527 13.779 179 HA PRO 28 HA PRO 28 -1.950 -4.510 7.299 180 HB2 PRO 28 1HB PRO 28 -3.283 -6.533 6.034 181 HB3 PRO 28 2HB PRO 28 -1.677 -6.719 6.711 182 HG2 PRO 28 1HG PRO 28 -4.257 -7.710 7.760 183 HG3 PRO 28 2HG PRO 28 -2.634 -8.229 8.168 184 HD2 PRO 28 1HD PRO 28 -4.343 -6.544 9.738 185 HD3 PRO 28 2HD PRO 28 -2.680 -6.968 10.090 186 H ILE 29 H ILE 29 -2.662 -2.749 6.294 187 HA ILE 29 HA ILE 29 -5.487 -2.248 6.424 188 HB ILE 29 HB ILE 29 -3.126 -0.739 5.319 189 HG12 ILE 29 1HG1 ILE 29 -4.591 0.683 7.300 190 HG13 ILE 29 2HG1 ILE 29 -4.365 -0.947 7.903 191 HG21 ILE 29 1HG2 ILE 29 -6.068 -0.088 5.145 192 HG22 ILE 29 2HG2 ILE 29 -4.807 1.167 5.096 193 HG23 ILE 29 3HG2 ILE 29 -4.846 -0.103 3.850 194 HD11 ILE 29 1HD1 ILE 29 -2.102 0.727 6.726 195 HD12 ILE 29 2HD1 ILE 29 -2.473 0.646 8.465 196 HD13 ILE 29 3HD1 ILE 29 -1.955 -0.819 7.596 197 H PHE 30 H PHE 30 -6.892 -3.197 5.056 198 HA PHE 30 HA PHE 30 -5.903 -4.195 2.534 199 HB2 PHE 30 1HB PHE 30 -8.511 -4.250 4.145 200 HB3 PHE 30 2HB PHE 30 -8.471 -4.880 2.510 201 HD1 PHE 30 1HD PHE 30 -7.220 -5.363 5.933 202 HD2 PHE 30 2HD PHE 30 -7.424 -6.981 2.016 203 HE1 PHE 30 1HE PHE 30 -6.405 -7.572 6.803 204 HE2 PHE 30 2HE PHE 30 -6.609 -9.190 2.886 205 HZ PHE 30 HZ PHE 30 -6.110 -9.459 5.269 206 H LEU 31 H LEU 31 -5.734 -2.772 0.858 207 HA LEU 31 HA LEU 31 -7.158 -0.365 0.749 208 HB2 LEU 31 1HB LEU 31 -5.943 -1.777 -1.613 209 HB3 LEU 31 2HB LEU 31 -6.145 -0.055 -1.355 210 HG LEU 31 HG LEU 31 -4.072 -1.918 -0.277 211 HD11 LEU 31 1HD1 LEU 31 -4.189 0.702 -1.700 212 HD12 LEU 31 2HD1 LEU 31 -2.798 0.382 -0.637 213 HD13 LEU 31 3HD1 LEU 31 -3.159 -0.720 -1.987 214 HD21 LEU 31 1HD2 LEU 31 -5.345 0.272 1.280 215 HD22 LEU 31 2HD2 LEU 31 -4.543 -1.220 1.828 216 HD23 LEU 31 3HD2 LEU 31 -3.568 0.177 1.312 217 HA PRO 32 HA PRO 32 -10.913 -1.572 -0.999 218 HB2 PRO 32 1HB PRO 32 -11.675 0.689 -2.332 219 HB3 PRO 32 2HB PRO 32 -11.855 0.491 -0.600 220 HG2 PRO 32 1HG PRO 32 -9.872 2.104 -2.086 221 HG3 PRO 32 2HG PRO 32 -10.339 2.219 -0.401 222 HD2 PRO 32 1HD PRO 32 -7.942 1.034 -1.439 223 HD3 PRO 32 2HD PRO 32 -8.466 1.047 0.233 224 H SER 33 H SER 33 -12.223 -1.991 -2.963 225 HA SER 33 HA SER 33 -10.302 -2.475 -5.096 226 HB2 SER 33 1HB SER 33 -11.840 -4.255 -5.850 227 HB3 SER 33 2HB SER 33 -11.373 -4.500 -4.178 228 HG SER 33 HG SER 33 -13.397 -4.083 -3.489 229 H ASP 34 H ASP 34 -13.470 -1.064 -4.223 230 HA ASP 34 HA ASP 34 -14.646 -0.652 -6.562 231 HB2 ASP 34 1HB ASP 34 -14.267 1.247 -4.215 232 HB3 ASP 34 2HB ASP 34 -15.283 1.687 -5.573 233 H GLY 35 H GLY 35 -11.614 0.753 -5.378 234 HA2 GLY 35 1HA GLY 35 -10.058 1.496 -7.074 235 HA3 GLY 35 2HA GLY 35 -11.381 2.317 -7.878 236 H GLN 36 H GLN 36 -11.864 2.555 -4.518 237 HA GLN 36 HA GLN 36 -11.516 5.286 -4.509 238 HB2 GLN 36 1HB GLN 36 -11.798 3.204 -2.324 239 HB3 GLN 36 2HB GLN 36 -11.548 4.887 -1.908 240 HG2 GLN 36 1HG GLN 36 -13.655 5.513 -2.588 241 HG3 GLN 36 2HG GLN 36 -13.632 4.456 -3.986 242 HE21 GLN 36 1HE2 GLN 36 -13.276 3.949 -0.476 243 HE22 GLN 36 2HE2 GLN 36 -14.520 2.757 -0.299 244 H ALA 37 H ALA 37 -10.040 6.438 -2.753 245 HA ALA 37 HA ALA 37 -7.341 5.311 -3.060 246 HB1 ALA 37 1HB ALA 37 -6.663 7.306 -3.856 247 HB2 ALA 37 2HB ALA 37 -8.384 7.735 -4.004 248 HB3 ALA 37 3HB ALA 37 -7.478 8.184 -2.539 249 H LEU 38 H LEU 38 -6.495 4.585 -1.180 250 HA LEU 38 HA LEU 38 -7.693 5.526 1.294 251 HB2 LEU 38 1HB LEU 38 -7.119 3.061 0.510 252 HB3 LEU 38 2HB LEU 38 -5.547 3.457 1.177 253 HG LEU 38 HG LEU 38 -6.535 3.917 3.358 254 HD11 LEU 38 1HD1 LEU 38 -8.651 4.827 2.906 255 HD12 LEU 38 2HD1 LEU 38 -9.149 3.423 1.932 256 HD13 LEU 38 3HD1 LEU 38 -8.983 3.268 3.698 257 HD21 LEU 38 1HD2 LEU 38 -7.454 1.582 3.823 258 HD22 LEU 38 2HD2 LEU 38 -7.208 1.262 2.089 259 HD23 LEU 38 3HD2 LEU 38 -5.822 1.691 3.121 260 H VAL 39 H VAL 39 -6.904 7.434 2.033 261 HA VAL 39 HA VAL 39 -4.246 8.254 1.415 262 HB VAL 39 HB VAL 39 -6.634 9.323 2.803 263 HG11 VAL 39 1HG1 VAL 39 -3.830 9.991 3.624 264 HG12 VAL 39 2HG1 VAL 39 -5.032 11.301 3.532 265 HG13 VAL 39 3HG1 VAL 39 -5.317 9.904 4.598 266 HG21 VAL 39 1HG2 VAL 39 -6.635 10.697 1.043 267 HG22 VAL 39 2HG2 VAL 39 -4.963 11.213 1.368 268 HG23 VAL 39 3HG2 VAL 39 -5.271 9.758 0.390 269 H LEU 40 H LEU 40 -2.395 8.130 2.648 270 HA LEU 40 HA LEU 40 -2.714 6.787 5.243 271 HB2 LEU 40 1HB LEU 40 -0.729 6.400 3.028 272 HB3 LEU 40 2HB LEU 40 -0.281 6.042 4.684 273 HG LEU 40 HG LEU 40 -2.413 4.725 3.001 274 HD11 LEU 40 1HD1 LEU 40 0.116 3.776 4.355 275 HD12 LEU 40 2HD1 LEU 40 -1.131 2.666 3.737 276 HD13 LEU 40 3HD1 LEU 40 -0.287 3.766 2.621 277 HD21 LEU 40 1HD2 LEU 40 -2.618 3.322 5.263 278 HD22 LEU 40 2HD2 LEU 40 -2.227 4.910 5.966 279 HD23 LEU 40 3HD2 LEU 40 -3.646 4.730 4.907 280 H GLY 41 H GLY 41 -0.859 7.285 6.791 281 HA2 GLY 41 1HA GLY 41 0.973 9.218 6.694 282 HA3 GLY 41 2HA GLY 41 -0.493 10.170 6.819 283 H ARG 42 H ARG 42 -0.072 10.962 8.932 284 HA ARG 42 HA ARG 42 0.715 9.299 11.005 285 HB2 ARG 42 1HB ARG 42 -0.005 12.091 10.619 286 HB3 ARG 42 2HB ARG 42 -0.784 11.508 12.077 287 HG2 ARG 42 1HG ARG 42 1.557 10.489 12.677 288 HG3 ARG 42 2HG ARG 42 2.185 11.542 11.425 289 HD2 ARG 42 1HD ARG 42 2.382 12.915 13.322 290 HD3 ARG 42 2HD ARG 42 0.839 13.440 12.680 291 HE ARG 42 HE ARG 42 0.510 11.218 14.523 292 HH11 ARG 42 2HH2 ARG 42 1.016 14.697 14.369 293 HH12 ARG 42 1HH2 ARG 42 0.301 14.998 15.918 294 HH21 ARG 42 2HH1 ARG 42 -0.433 11.615 16.567 295 HH22 ARG 42 1HH1 ARG 42 -0.528 13.233 17.177 296 H GLY 43 H GLY 43 -0.492 8.276 12.699 297 HA2 GLY 43 1HA GLY 43 -2.882 8.394 13.661 298 HA3 GLY 43 2HA GLY 43 -3.332 7.859 12.054 299 HA PRO 44 HA PRO 44 -2.327 4.167 14.552 300 HB2 PRO 44 1HB PRO 44 -4.778 2.961 14.509 301 HB3 PRO 44 2HB PRO 44 -4.230 3.971 15.832 302 HG2 PRO 44 1HG PRO 44 -6.183 4.603 13.705 303 HG3 PRO 44 2HG PRO 44 -5.939 5.404 15.245 304 HD2 PRO 44 1HD PRO 44 -5.080 6.335 12.671 305 HD3 PRO 44 2HD PRO 44 -4.736 7.075 14.222 306 H LEU 45 H LEU 45 -3.320 4.937 11.485 307 HA LEU 45 HA LEU 45 -3.687 2.457 10.332 308 HB2 LEU 45 1HB LEU 45 -2.654 5.091 9.327 309 HB3 LEU 45 2HB LEU 45 -2.710 3.690 8.275 310 HG LEU 45 HG LEU 45 -5.226 3.565 9.067 311 HD11 LEU 45 1HD1 LEU 45 -6.208 5.782 9.449 312 HD12 LEU 45 2HD1 LEU 45 -5.078 5.323 10.746 313 HD13 LEU 45 3HD1 LEU 45 -4.577 6.493 9.502 314 HD21 LEU 45 1HD2 LEU 45 -4.415 5.709 7.095 315 HD22 LEU 45 2HD2 LEU 45 -4.293 3.966 6.756 316 HD23 LEU 45 3HD2 LEU 45 -5.881 4.699 7.089 317 H THR 46 H THR 46 -0.605 4.388 10.448 318 HA THR 46 HA THR 46 0.818 1.814 10.263 319 HB THR 46 HB THR 46 2.484 2.978 8.976 320 HG1 THR 46 1HG THR 46 0.976 5.373 9.753 321 HG21 THR 46 1HG2 THR 46 -0.168 4.337 8.259 322 HG22 THR 46 2HG2 THR 46 1.257 4.197 7.201 323 HG23 THR 46 3HG2 THR 46 0.342 2.740 7.659 324 H GLN 47 H GLN 47 -0.267 3.823 12.549 325 HA GLN 47 HA GLN 47 0.325 4.245 14.595 326 HB2 GLN 47 1HB GLN 47 2.445 2.173 13.955 327 HB3 GLN 47 2HB GLN 47 2.439 2.981 15.511 328 HG2 GLN 47 1HG GLN 47 -0.242 2.012 14.711 329 HG3 GLN 47 2HG GLN 47 0.936 0.721 14.838 330 HE21 GLN 47 1HE2 GLN 47 -1.261 0.978 16.514 331 HE22 GLN 47 2HE2 GLN 47 -0.740 1.298 18.135 332 H VAL 48 H VAL 48 1.624 5.577 12.065 333 HA VAL 48 HA VAL 48 4.112 6.577 13.048 334 HB VAL 48 HB VAL 48 2.319 7.257 10.718 335 HG11 VAL 48 1HG1 VAL 48 4.318 8.581 9.882 336 HG12 VAL 48 2HG1 VAL 48 3.400 9.317 11.218 337 HG13 VAL 48 3HG1 VAL 48 4.952 8.509 11.544 338 HG21 VAL 48 1HG2 VAL 48 3.684 5.064 10.863 339 HG22 VAL 48 2HG2 VAL 48 3.818 6.048 9.386 340 HG23 VAL 48 3HG2 VAL 48 5.106 6.104 10.613 341 H THR 49 H THR 49 4.525 8.443 14.184 342 HA THR 49 HA THR 49 2.224 10.208 14.677 343 HB THR 49 HB THR 49 3.099 10.334 17.069 344 HG1 THR 49 1HG THR 49 5.174 9.488 16.981 345 HG21 THR 49 1HG2 THR 49 1.850 8.508 17.741 346 HG22 THR 49 2HG2 THR 49 1.428 8.401 16.015 347 HG23 THR 49 3HG2 THR 49 2.739 7.395 16.674 348 H ASP 50 H ASP 50 4.944 10.021 13.010 349 HA ASP 50 HA ASP 50 6.477 12.111 14.040 350 HB2 ASP 50 1HB ASP 50 6.927 10.256 12.166 351 HB3 ASP 50 2HB ASP 50 6.343 11.501 11.080 352 H ARG 51 H ARG 51 6.188 14.354 13.810 353 HA ARG 51 HA ARG 51 3.795 15.340 12.928 354 HB2 ARG 51 1HB ARG 51 6.511 16.697 13.277 355 HB3 ARG 51 2HB ARG 51 5.043 17.597 12.952 356 HG2 ARG 51 1HG ARG 51 4.019 16.866 15.021 357 HG3 ARG 51 2HG ARG 51 5.247 15.644 15.282 358 HD2 ARG 51 1HD ARG 51 6.679 17.136 16.253 359 HD3 ARG 51 2HD ARG 51 6.440 18.320 14.983 360 HE ARG 51 HE ARG 51 4.913 19.415 16.363 361 HH11 ARG 51 2HH2 ARG 51 5.155 16.062 17.402 362 HH12 ARG 51 1HH2 ARG 51 4.119 16.278 18.773 363 HH21 ARG 51 2HH1 ARG 51 3.546 19.701 18.171 364 HH22 ARG 51 1HH1 ARG 51 3.197 18.362 19.213 365 H LYS 52 H LYS 52 7.008 15.118 11.285 366 HA LYS 52 HA LYS 52 6.503 16.601 9.049 367 HB2 LYS 52 1HB LYS 52 8.129 14.063 9.367 368 HB3 LYS 52 2HB LYS 52 8.180 15.088 7.947 369 HG2 LYS 52 1HG LYS 52 8.471 16.780 10.271 370 HG3 LYS 52 2HG LYS 52 9.577 15.431 10.445 371 HD2 LYS 52 1HD LYS 52 9.554 16.518 7.697 372 HD3 LYS 52 2HD LYS 52 10.006 17.723 8.887 373 HE2 LYS 52 1HE LYS 52 11.823 16.334 9.729 374 HE3 LYS 52 2HE LYS 52 11.275 14.949 8.806 375 HZ1 LYS 52 1HZ LYS 52 12.480 17.413 7.794 376 HZ2 LYS 52 2HZ LYS 52 12.976 15.873 7.570 377 HZ3 LYS 52 3HZ LYS 52 11.639 16.419 6.808 378 H CYS 53 H CYS 53 5.130 13.508 10.032 379 HA CYS 53 HA CYS 53 4.258 12.809 7.414 380 HB2 CYS 53 1HB CYS 53 4.365 11.556 9.985 381 HB3 CYS 53 2HB CYS 53 2.705 11.490 9.427 382 HG CYS 53 HG CYS 53 2.948 9.824 7.759 383 H SER 54 H SER 54 2.143 13.099 6.534 384 HA SER 54 HA SER 54 0.474 14.907 8.104 385 HB2 SER 54 1HB SER 54 1.703 15.553 5.746 386 HB3 SER 54 2HB SER 54 0.197 14.902 5.128 387 HG SER 54 HG SER 54 0.655 17.335 6.264 388 H ARG 55 H ARG 55 -1.697 14.327 8.347 389 HA ARG 55 HA ARG 55 -2.512 11.841 8.237 390 HB2 ARG 55 1HB ARG 55 -4.135 14.355 7.626 391 HB3 ARG 55 2HB ARG 55 -4.897 12.795 7.867 392 HG2 ARG 55 1HG ARG 55 -3.665 12.658 10.118 393 HG3 ARG 55 2HG ARG 55 -3.186 14.326 9.876 394 HD2 ARG 55 1HD ARG 55 -5.985 14.275 9.363 395 HD3 ARG 55 2HD ARG 55 -5.759 13.265 10.777 396 HE ARG 55 HE ARG 55 -4.222 15.710 11.012 397 HH11 ARG 55 2HH2 ARG 55 -7.488 14.429 11.284 398 HH12 ARG 55 1HH2 ARG 55 -8.012 15.650 12.395 399 HH21 ARG 55 2HH1 ARG 55 -4.913 17.322 12.477 400 HH22 ARG 55 1HH1 ARG 55 -6.537 17.307 13.078 401 H ASN 56 H ASN 56 -2.263 14.061 5.459 402 HA ASN 56 HA ASN 56 -3.122 11.846 3.770 403 HB2 ASN 56 1HB ASN 56 -3.686 13.850 2.115 404 HB3 ASN 56 2HB ASN 56 -4.834 13.415 3.365 405 HD21 ASN 56 1HD2 ASN 56 -5.626 15.568 3.146 406 HD22 ASN 56 2HD2 ASN 56 -4.865 16.893 3.962 407 H GLN 57 H GLN 57 -0.554 11.651 4.242 408 HA GLN 57 HA GLN 57 1.095 13.517 2.952 409 HB2 GLN 57 1HB GLN 57 2.052 12.222 4.721 410 HB3 GLN 57 2HB GLN 57 1.518 10.707 4.021 411 HG2 GLN 57 1HG GLN 57 3.894 10.916 3.575 412 HG3 GLN 57 2HG GLN 57 3.053 11.122 2.052 413 HE21 GLN 57 1HE2 GLN 57 5.159 12.109 1.522 414 HE22 GLN 57 2HE2 GLN 57 5.388 13.803 1.803 415 H VAL 58 H VAL 58 -0.086 10.201 2.073 416 HA VAL 58 HA VAL 58 0.268 10.940 -0.724 417 HB VAL 58 HB VAL 58 1.249 8.671 -1.141 418 HG11 VAL 58 1HG1 VAL 58 3.246 9.680 -1.242 419 HG12 VAL 58 2HG1 VAL 58 2.470 11.074 -0.452 420 HG13 VAL 58 3HG1 VAL 58 3.331 9.862 0.527 421 HG21 VAL 58 1HG2 VAL 58 1.865 7.232 0.508 422 HG22 VAL 58 2HG2 VAL 58 2.247 8.536 1.658 423 HG23 VAL 58 3HG2 VAL 58 0.555 8.053 1.390 424 H GLU 59 H GLU 59 -1.071 9.631 -2.178 425 HA GLU 59 HA GLU 59 -3.313 8.509 -0.695 426 HB2 GLU 59 1HB GLU 59 -3.996 10.413 -2.021 427 HB3 GLU 59 2HB GLU 59 -3.146 9.823 -3.435 428 HG2 GLU 59 1HG GLU 59 -4.682 7.899 -3.614 429 HG3 GLU 59 2HG GLU 59 -5.477 8.351 -2.120 430 H LEU 60 H LEU 60 -3.376 6.308 -0.666 431 HA LEU 60 HA LEU 60 -2.000 4.892 -2.811 432 HB2 LEU 60 1HB LEU 60 -2.852 4.207 -0.019 433 HB3 LEU 60 2HB LEU 60 -2.545 2.931 -1.181 434 HG LEU 60 HG LEU 60 -0.276 4.374 -1.496 435 HD11 LEU 60 1HD1 LEU 60 0.403 4.782 1.016 436 HD12 LEU 60 2HD1 LEU 60 -0.427 6.041 0.070 437 HD13 LEU 60 3HD1 LEU 60 -1.347 5.039 1.219 438 HD21 LEU 60 1HD2 LEU 60 -0.266 2.016 -1.155 439 HD22 LEU 60 2HD2 LEU 60 0.776 2.739 0.094 440 HD23 LEU 60 3HD2 LEU 60 -0.864 2.189 0.513 441 H ILE 61 H ILE 61 -3.031 3.460 -4.212 442 HA ILE 61 HA ILE 61 -5.908 3.139 -3.853 443 HB ILE 61 HB ILE 61 -4.539 4.402 -6.210 444 HG12 ILE 61 1HG1 ILE 61 -7.156 5.270 -5.045 445 HG13 ILE 61 2HG1 ILE 61 -5.694 5.603 -4.139 446 HG21 ILE 61 1HG2 ILE 61 -6.885 2.599 -6.208 447 HG22 ILE 61 2HG2 ILE 61 -7.080 4.133 -7.090 448 HG23 ILE 61 3HG2 ILE 61 -5.754 3.025 -7.514 449 HD11 ILE 61 1HD1 ILE 61 -5.475 7.445 -5.454 450 HD12 ILE 61 2HD1 ILE 61 -4.977 6.324 -6.744 451 HD13 ILE 61 3HD1 ILE 61 -6.675 6.844 -6.623 452 H ALA 62 H ALA 62 -6.402 1.020 -3.981 453 HA ALA 62 HA ALA 62 -4.404 -0.827 -4.830 454 HB1 ALA 62 1HB ALA 62 -7.067 -1.947 -4.508 455 HB2 ALA 62 2HB ALA 62 -5.610 -2.194 -3.515 456 HB3 ALA 62 3HB ALA 62 -6.693 -0.821 -3.181 457 H ASP 63 H ASP 63 -4.123 -1.752 -6.813 458 HA ASP 63 HA ASP 63 -6.283 -1.298 -8.719 459 HB2 ASP 63 1HB ASP 63 -3.736 -0.211 -8.846 460 HB3 ASP 63 2HB ASP 63 -3.528 -1.672 -9.790 461 HA PRO 64 HA PRO 64 -5.498 -5.749 -8.468 462 HB2 PRO 64 1HB PRO 64 -8.099 -6.559 -8.685 463 HB3 PRO 64 2HB PRO 64 -7.313 -6.261 -7.148 464 HG2 PRO 64 1HG PRO 64 -9.297 -4.593 -8.569 465 HG3 PRO 64 2HG PRO 64 -8.827 -4.542 -6.882 466 HD2 PRO 64 1HD PRO 64 -8.025 -2.716 -8.943 467 HD3 PRO 64 2HD PRO 64 -7.465 -2.734 -7.283 468 H GLU 65 H GLU 65 -6.288 -3.654 -10.812 469 HA GLU 65 HA GLU 65 -7.168 -5.429 -12.784 470 HB2 GLU 65 1HB GLU 65 -6.180 -2.613 -12.659 471 HB3 GLU 65 2HB GLU 65 -6.024 -3.399 -14.217 472 HG2 GLU 65 1HG GLU 65 -8.605 -4.132 -13.382 473 HG3 GLU 65 2HG GLU 65 -8.455 -2.479 -12.821 474 H SER 66 H SER 66 -3.937 -4.287 -11.705 475 HA SER 66 HA SER 66 -2.811 -6.475 -13.223 476 HB2 SER 66 1HB SER 66 -2.002 -3.558 -13.477 477 HB3 SER 66 2HB SER 66 -0.864 -4.843 -13.832 478 HG SER 66 HG SER 66 -2.439 -3.861 -15.587 479 H ARG 67 H ARG 67 -3.432 -6.014 -10.370 480 HA ARG 67 HA ARG 67 -2.546 -6.049 -8.390 481 HB2 ARG 67 1HB ARG 67 -0.310 -7.462 -9.925 482 HB3 ARG 67 2HB ARG 67 -0.396 -7.438 -8.175 483 HG2 ARG 67 1HG ARG 67 -1.931 -9.109 -8.162 484 HG3 ARG 67 2HG ARG 67 -2.989 -8.213 -9.235 485 HD2 ARG 67 1HD ARG 67 -2.344 -9.425 -11.065 486 HD3 ARG 67 2HD ARG 67 -0.644 -9.297 -10.661 487 HE ARG 67 HE ARG 67 -0.764 -11.419 -9.704 488 HH11 ARG 67 2HH2 ARG 67 -3.999 -10.036 -9.770 489 HH12 ARG 67 1HH2 ARG 67 -4.763 -11.469 -9.167 490 HH21 ARG 67 2HH1 ARG 67 -1.771 -13.309 -8.907 491 HH22 ARG 67 1HH1 ARG 67 -3.486 -13.343 -8.672 492 H THR 68 H THR 68 -2.282 -3.530 -9.042 493 HA THR 68 HA THR 68 0.457 -2.829 -8.269 494 HB THR 68 HB THR 68 0.087 -0.858 -9.989 495 HG1 THR 68 1HG THR 68 -1.719 -1.213 -11.228 496 HG21 THR 68 1HG2 THR 68 0.736 -2.390 -11.954 497 HG22 THR 68 2HG2 THR 68 1.797 -2.504 -10.529 498 HG23 THR 68 3HG2 THR 68 0.571 -3.759 -10.829 499 H VAL 69 H VAL 69 0.451 -0.290 -7.797 500 HA VAL 69 HA VAL 69 -2.060 0.519 -6.607 501 HB VAL 69 HB VAL 69 0.448 0.062 -4.978 502 HG11 VAL 69 1HG1 VAL 69 -0.984 0.815 -3.058 503 HG12 VAL 69 2HG1 VAL 69 -0.588 2.098 -4.226 504 HG13 VAL 69 3HG1 VAL 69 -2.202 1.346 -4.242 505 HG21 VAL 69 1HG2 VAL 69 -0.758 -2.012 -5.387 506 HG22 VAL 69 2HG2 VAL 69 -0.971 -1.511 -3.692 507 HG23 VAL 69 3HG2 VAL 69 -2.285 -1.259 -4.867 508 H ALA 70 H ALA 70 -2.330 2.681 -6.909 509 HA ALA 70 HA ALA 70 -0.062 4.132 -7.991 510 HB1 ALA 70 1HB ALA 70 -1.663 5.120 -9.217 511 HB2 ALA 70 2HB ALA 70 -2.865 4.068 -8.432 512 HB3 ALA 70 3HB ALA 70 -2.501 5.669 -7.746 513 H VAL 71 H VAL 71 0.844 5.996 -7.047 514 HA VAL 71 HA VAL 71 -0.114 6.595 -4.338 515 HB VAL 71 HB VAL 71 2.728 6.181 -5.280 516 HG11 VAL 71 1HG1 VAL 71 2.994 7.999 -3.864 517 HG12 VAL 71 2HG1 VAL 71 1.626 7.530 -2.827 518 HG13 VAL 71 3HG1 VAL 71 3.161 6.632 -2.737 519 HG21 VAL 71 1HG2 VAL 71 2.580 4.612 -3.165 520 HG22 VAL 71 2HG2 VAL 71 0.836 4.657 -3.518 521 HG23 VAL 71 3HG2 VAL 71 1.977 4.065 -4.748 522 H LYS 72 H LYS 72 -0.449 8.743 -3.958 523 HA LYS 72 HA LYS 72 0.821 10.622 -5.811 524 HB2 LYS 72 1HB LYS 72 -1.376 10.314 -6.714 525 HB3 LYS 72 2HB LYS 72 -2.124 10.447 -5.135 526 HG2 LYS 72 1HG LYS 72 -1.941 12.754 -5.078 527 HG3 LYS 72 2HG LYS 72 -0.411 12.765 -5.933 528 HD2 LYS 72 1HD LYS 72 -1.531 13.358 -7.812 529 HD3 LYS 72 2HD LYS 72 -2.264 11.766 -7.824 530 HE2 LYS 72 1HE LYS 72 -4.222 12.970 -7.688 531 HE3 LYS 72 2HE LYS 72 -3.871 12.949 -5.971 532 HZ1 LYS 72 1HZ LYS 72 -2.476 15.044 -7.190 533 HZ2 LYS 72 2HZ LYS 72 -4.053 15.147 -7.601 534 HZ3 LYS 72 3HZ LYS 72 -3.620 15.120 -6.027 535 H GLN 73 H GLN 73 1.966 12.113 -4.708 536 HA GLN 73 HA GLN 73 1.665 12.209 -1.885 537 HB2 GLN 73 1HB GLN 73 3.903 12.369 -2.675 538 HB3 GLN 73 2HB GLN 73 3.491 13.558 -3.893 539 HG2 GLN 73 1HG GLN 73 3.117 15.278 -2.200 540 HG3 GLN 73 2HG GLN 73 3.242 14.107 -0.902 541 HE21 GLN 73 1HE2 GLN 73 4.769 16.574 -1.642 542 HE22 GLN 73 2HE2 GLN 73 6.440 16.120 -1.643 543 H LEU 74 H LEU 74 0.294 13.527 -0.770 544 HA LEU 74 HA LEU 74 -0.575 15.978 -2.138 545 HB2 LEU 74 1HB LEU 74 -2.318 14.580 -0.156 546 HB3 LEU 74 2HB LEU 74 -2.750 15.680 -1.449 547 HG LEU 74 HG LEU 74 -1.558 13.133 -2.355 548 HD11 LEU 74 1HD1 LEU 74 -3.682 13.103 -0.382 549 HD12 LEU 74 2HD1 LEU 74 -4.217 12.396 -1.926 550 HD13 LEU 74 3HD1 LEU 74 -2.773 11.755 -1.106 551 HD21 LEU 74 1HD2 LEU 74 -2.390 14.600 -4.012 552 HD22 LEU 74 2HD2 LEU 74 -3.563 13.267 -3.897 553 HD23 LEU 74 3HD2 LEU 74 -3.925 14.839 -3.144 554 H GLY 75 H GLY 75 1.394 14.767 0.221 555 HA2 GLY 75 1HA GLY 75 0.664 16.573 2.368 556 HA3 GLY 75 2HA GLY 75 2.010 15.451 2.317 557 H VAL 76 H VAL 76 3.905 16.559 2.538 558 HA VAL 76 HA VAL 76 4.316 18.824 0.738 559 HB VAL 76 HB VAL 76 3.686 19.887 2.753 560 HG11 VAL 76 1HG1 VAL 76 5.749 18.566 4.460 561 HG12 VAL 76 2HG1 VAL 76 4.147 19.215 4.888 562 HG13 VAL 76 3HG1 VAL 76 4.280 17.637 4.075 563 HG21 VAL 76 1HG2 VAL 76 5.661 21.139 3.337 564 HG22 VAL 76 2HG2 VAL 76 6.721 19.824 2.775 565 HG23 VAL 76 3HG2 VAL 76 5.742 20.739 1.604 566 H ASN 77 H ASN 77 5.800 16.603 3.198 567 HA ASN 77 HA ASN 77 8.364 16.878 2.171 568 HB2 ASN 77 1HB ASN 77 6.970 14.787 3.890 569 HB3 ASN 77 2HB ASN 77 8.627 14.532 3.382 570 HD21 ASN 77 1HD2 ASN 77 6.534 16.065 5.555 571 HD22 ASN 77 2HD2 ASN 77 7.670 17.052 6.414 572 HA PRO 78 HA PRO 78 8.026 14.167 -1.269 573 HB2 PRO 78 1HB PRO 78 10.668 13.716 -1.802 574 HB3 PRO 78 2HB PRO 78 9.817 15.156 -2.324 575 HG2 PRO 78 1HG PRO 78 11.767 14.852 -0.123 576 HG3 PRO 78 2HG PRO 78 11.238 16.317 -0.926 577 HD2 PRO 78 1HD PRO 78 10.421 15.388 1.662 578 HD3 PRO 78 2HD PRO 78 9.806 16.790 0.809 579 H SER 79 H SER 79 7.324 12.137 -1.425 580 HA SER 79 HA SER 79 8.439 10.360 0.556 581 HB2 SER 79 1HB SER 79 5.962 10.369 -1.170 582 HB3 SER 79 2HB SER 79 6.534 8.841 -0.531 583 HG SER 79 HG SER 79 5.558 9.375 1.289 584 H THR 80 H THR 80 8.988 8.060 -0.125 585 HA THR 80 HA THR 80 10.101 8.052 -2.855 586 HB THR 80 HB THR 80 11.210 6.732 -0.322 587 HG1 THR 80 1HG THR 80 12.751 8.575 -0.633 588 HG21 THR 80 1HG2 THR 80 13.249 6.454 -1.647 589 HG22 THR 80 2HG2 THR 80 11.910 5.733 -2.573 590 HG23 THR 80 3HG2 THR 80 12.533 7.341 -3.015 591 H VAL 81 H VAL 81 9.093 6.696 -4.185 592 HA VAL 81 HA VAL 81 7.632 4.478 -2.972 593 HB VAL 81 HB VAL 81 7.495 5.939 -5.597 594 HG11 VAL 81 1HG1 VAL 81 7.274 3.752 -6.394 595 HG12 VAL 81 2HG1 VAL 81 6.426 3.198 -4.930 596 HG13 VAL 81 3HG1 VAL 81 5.592 4.252 -6.098 597 HG21 VAL 81 1HG2 VAL 81 5.063 5.300 -4.036 598 HG22 VAL 81 2HG2 VAL 81 6.221 6.386 -3.232 599 HG23 VAL 81 3HG2 VAL 81 5.559 6.816 -4.827 600 H GLY 82 H GLY 82 9.451 3.121 -2.488 601 HA2 GLY 82 1HA GLY 82 10.460 1.148 -3.185 602 HA3 GLY 82 2HA GLY 82 10.417 1.690 -4.851 603 H VAL 83 H VAL 83 12.083 3.037 -5.694 604 HA VAL 83 HA VAL 83 14.235 3.682 -3.815 605 HB VAL 83 HB VAL 83 14.697 1.527 -4.951 606 HG11 VAL 83 1HG1 VAL 83 14.340 1.220 -7.131 607 HG12 VAL 83 2HG1 VAL 83 13.704 2.880 -7.229 608 HG13 VAL 83 3HG1 VAL 83 15.429 2.567 -7.538 609 HG21 VAL 83 1HG2 VAL 83 16.751 2.276 -4.436 610 HG22 VAL 83 2HG2 VAL 83 16.892 2.681 -6.164 611 HG23 VAL 83 3HG2 VAL 83 16.389 3.927 -4.996 612 H GLN 84 H GLN 84 11.904 5.040 -5.396 613 HA GLN 84 HA GLN 84 13.648 7.031 -6.622 614 HB2 GLN 84 1HB GLN 84 12.534 6.039 -8.473 615 HB3 GLN 84 2HB GLN 84 11.018 5.892 -7.607 616 HG2 GLN 84 1HG GLN 84 10.495 8.181 -7.841 617 HG3 GLN 84 2HG GLN 84 12.171 8.653 -8.039 618 HE21 GLN 84 1HE2 GLN 84 9.546 8.870 -9.626 619 HE22 GLN 84 2HE2 GLN 84 9.980 8.454 -11.250 620 H GLU 85 H GLU 85 13.157 9.227 -6.181 621 HA GLU 85 HA GLU 85 11.475 9.545 -3.878 622 HB2 GLU 85 1HB GLU 85 13.601 10.649 -3.749 623 HB3 GLU 85 2HB GLU 85 13.426 11.356 -5.343 624 HG2 GLU 85 1HG GLU 85 11.418 12.662 -4.461 625 HG3 GLU 85 2HG GLU 85 11.792 12.056 -2.860 626 H LEU 86 H LEU 86 9.688 11.054 -3.747 627 HA LEU 86 HA LEU 86 8.516 11.586 -6.385 628 HB2 LEU 86 1HB LEU 86 7.340 10.870 -3.719 629 HB3 LEU 86 2HB LEU 86 6.384 11.738 -4.904 630 HG LEU 86 HG LEU 86 7.529 8.955 -5.091 631 HD11 LEU 86 1HD1 LEU 86 4.782 10.172 -5.071 632 HD12 LEU 86 2HD1 LEU 86 5.062 8.585 -5.827 633 HD13 LEU 86 3HD1 LEU 86 5.440 8.829 -4.105 634 HD21 LEU 86 1HD2 LEU 86 8.114 9.808 -7.206 635 HD22 LEU 86 2HD2 LEU 86 6.575 8.949 -7.451 636 HD23 LEU 86 3HD2 LEU 86 6.597 10.726 -7.352 637 H LYS 87 H LYS 87 6.620 13.476 -5.758 638 HA LYS 87 HA LYS 87 7.990 15.592 -4.316 639 HB2 LYS 87 1HB LYS 87 7.885 15.418 -7.226 640 HB3 LYS 87 2HB LYS 87 7.115 16.878 -6.637 641 HG2 LYS 87 1HG LYS 87 9.087 17.643 -5.555 642 HG3 LYS 87 2HG LYS 87 9.799 16.043 -5.500 643 HD2 LYS 87 1HD LYS 87 9.432 16.477 -8.247 644 HD3 LYS 87 2HD LYS 87 9.888 18.062 -7.655 645 HE2 LYS 87 1HE LYS 87 11.925 17.142 -6.611 646 HE3 LYS 87 2HE LYS 87 11.443 15.509 -7.023 647 HZ1 LYS 87 1HZ LYS 87 12.979 16.321 -8.622 648 HZ2 LYS 87 2HZ LYS 87 11.529 16.178 -9.358 649 HZ3 LYS 87 3HZ LYS 87 12.083 17.652 -8.927 650 HA PRO 88 HA PRO 88 3.942 16.771 -3.370 651 HB2 PRO 88 1HB PRO 88 3.925 19.503 -3.434 652 HB3 PRO 88 2HB PRO 88 4.603 18.580 -2.108 653 HG2 PRO 88 1HG PRO 88 6.009 20.045 -4.255 654 HG3 PRO 88 2HG PRO 88 6.634 19.489 -2.715 655 HD2 PRO 88 1HD PRO 88 7.080 18.290 -5.283 656 HD3 PRO 88 2HD PRO 88 7.607 17.670 -3.730 657 H GLY 89 H GLY 89 2.278 16.094 -4.562 658 HA2 GLY 89 1HA GLY 89 0.504 16.711 -5.957 659 HA3 GLY 89 2HA GLY 89 1.526 17.887 -6.761 660 H LEU 90 H LEU 90 3.454 15.168 -6.326 661 HA LEU 90 HA LEU 90 3.139 14.451 -9.099 662 HB2 LEU 90 1HB LEU 90 5.293 14.741 -7.549 663 HB3 LEU 90 2HB LEU 90 5.016 13.032 -7.280 664 HG LEU 90 HG LEU 90 5.373 12.483 -9.541 665 HD11 LEU 90 1HD1 LEU 90 5.821 14.503 -11.190 666 HD12 LEU 90 2HD1 LEU 90 4.178 13.887 -10.888 667 HD13 LEU 90 3HD1 LEU 90 4.744 15.357 -10.059 668 HD21 LEU 90 1HD2 LEU 90 7.334 13.686 -8.058 669 HD22 LEU 90 2HD2 LEU 90 7.585 12.821 -9.593 670 HD23 LEU 90 3HD2 LEU 90 7.418 14.593 -9.587 671 H SER 91 H SER 91 3.571 11.811 -9.333 672 HA SER 91 HA SER 91 1.966 10.357 -7.496 673 HB2 SER 91 1HB SER 91 0.775 9.845 -10.091 674 HB3 SER 91 2HB SER 91 -0.009 10.304 -8.593 675 HG SER 91 HG SER 91 0.287 12.505 -9.081 676 H GLY 92 H GLY 92 2.609 8.192 -7.516 677 HA2 GLY 92 1HA GLY 92 4.182 7.298 -9.854 678 HA3 GLY 92 2HA GLY 92 4.756 7.079 -8.213 679 H SER 93 H SER 93 4.732 4.725 -9.027 680 HA SER 93 HA SER 93 2.124 3.634 -8.344 681 HB2 SER 93 1HB SER 93 2.507 1.831 -10.068 682 HB3 SER 93 2HB SER 93 2.244 3.424 -10.749 683 HG SER 93 HG SER 93 4.570 1.818 -10.749 684 H LEU 94 H LEU 94 2.233 1.460 -7.359 685 HA LEU 94 HA LEU 94 4.941 0.749 -6.482 686 HB2 LEU 94 1HB LEU 94 2.747 1.703 -4.896 687 HB3 LEU 94 2HB LEU 94 3.095 0.042 -4.459 688 HG LEU 94 HG LEU 94 5.593 1.399 -4.639 689 HD11 LEU 94 1HD1 LEU 94 3.596 2.898 -2.922 690 HD12 LEU 94 2HD1 LEU 94 5.348 3.192 -3.022 691 HD13 LEU 94 3HD1 LEU 94 4.313 3.494 -4.438 692 HD21 LEU 94 1HD2 LEU 94 4.800 -0.572 -3.202 693 HD22 LEU 94 2HD2 LEU 94 5.916 0.602 -2.464 694 HD23 LEU 94 3HD2 LEU 94 4.178 0.662 -2.081 695 H SER 95 H SER 95 5.472 -1.363 -6.791 696 HA SER 95 HA SER 95 3.316 -3.033 -7.782 697 HB2 SER 95 1HB SER 95 6.301 -3.612 -7.912 698 HB3 SER 95 2HB SER 95 5.030 -4.370 -8.849 699 HG SER 95 HG SER 95 5.360 -2.855 -10.313 700 H LEU 96 H LEU 96 3.579 -5.484 -7.190 701 HA LEU 96 HA LEU 96 3.373 -5.727 -4.424 702 HB2 LEU 96 1HB LEU 96 3.295 -7.468 -6.784 703 HB3 LEU 96 2HB LEU 96 3.863 -8.271 -5.333 704 HG LEU 96 HG LEU 96 1.267 -6.717 -5.492 705 HD11 LEU 96 1HD1 LEU 96 0.100 -8.795 -5.741 706 HD12 LEU 96 2HD1 LEU 96 1.318 -8.680 -7.034 707 HD13 LEU 96 3HD1 LEU 96 1.614 -9.723 -5.622 708 HD21 LEU 96 1HD2 LEU 96 2.530 -7.160 -3.246 709 HD22 LEU 96 2HD2 LEU 96 0.776 -7.443 -3.360 710 HD23 LEU 96 3HD2 LEU 96 1.906 -8.815 -3.445 711 H GLY 97 H GLY 97 5.035 -5.217 -3.076 712 HA2 GLY 97 1HA GLY 97 6.956 -6.359 -2.065 713 HA3 GLY 97 2HA GLY 97 7.647 -6.478 -3.671 714 H ASP 98 H ASP 98 6.713 -3.786 -4.556 715 HA ASP 98 HA ASP 98 8.914 -2.342 -3.998 716 HB2 ASP 98 1HB ASP 98 6.103 -1.644 -4.833 717 HB3 ASP 98 2HB ASP 98 7.166 -0.319 -4.405 718 H VAL 99 H VAL 99 9.203 -0.342 -2.616 719 HA VAL 99 HA VAL 99 7.713 -0.622 -0.107 720 HB VAL 99 HB VAL 99 10.430 0.547 -0.735 721 HG11 VAL 99 1HG1 VAL 99 10.682 0.813 1.710 722 HG12 VAL 99 2HG1 VAL 99 9.375 1.828 1.053 723 HG13 VAL 99 3HG1 VAL 99 8.983 0.327 1.926 724 HG21 VAL 99 1HG2 VAL 99 10.403 -1.571 1.226 725 HG22 VAL 99 2HG2 VAL 99 9.609 -2.115 -0.271 726 HG23 VAL 99 3HG2 VAL 99 11.270 -1.478 -0.326 727 H LEU 100 H LEU 100 7.272 1.463 1.084 728 HA LEU 100 HA LEU 100 7.050 3.762 -0.685 729 HB2 LEU 100 1HB LEU 100 4.970 2.609 -1.039 730 HB3 LEU 100 2HB LEU 100 4.711 2.434 0.685 731 HG LEU 100 HG LEU 100 4.489 4.886 0.904 732 HD11 LEU 100 1HD1 LEU 100 5.937 5.337 -1.158 733 HD12 LEU 100 2HD1 LEU 100 4.455 5.069 -2.107 734 HD13 LEU 100 3HD1 LEU 100 4.517 6.379 -0.902 735 HD21 LEU 100 1HD2 LEU 100 2.337 4.364 0.744 736 HD22 LEU 100 2HD2 LEU 100 2.425 4.771 -0.987 737 HD23 LEU 100 3HD2 LEU 100 2.672 3.091 -0.454 738 H TYR 101 H TYR 101 8.690 4.740 0.573 739 HA TYR 101 HA TYR 101 8.642 4.773 3.380 740 HB2 TYR 101 1HB TYR 101 9.780 6.592 1.170 741 HB3 TYR 101 2HB TYR 101 10.211 6.797 2.856 742 HD1 TYR 101 2HD TYR 101 11.565 5.067 4.026 743 HD2 TYR 101 1HD TYR 101 10.723 4.810 -0.161 744 HE1 TYR 101 2HE TYR 101 13.434 3.366 3.747 745 HE2 TYR 101 1HE TYR 101 12.594 3.109 -0.425 746 HH TYR 101 HH TYR 101 14.639 2.236 2.336 747 H LEU 102 H LEU 102 6.769 5.468 4.389 748 HA LEU 102 HA LEU 102 4.929 7.217 3.639 749 HB2 LEU 102 1HB LEU 102 5.899 6.166 6.111 750 HB3 LEU 102 2HB LEU 102 5.506 7.857 6.350 751 HG LEU 102 HG LEU 102 3.388 6.592 4.857 752 HD11 LEU 102 1HD1 LEU 102 2.784 4.751 6.037 753 HD12 LEU 102 2HD1 LEU 102 4.545 4.640 6.268 754 HD13 LEU 102 3HD1 LEU 102 3.521 5.332 7.549 755 HD21 LEU 102 1HD2 LEU 102 3.175 8.662 6.141 756 HD22 LEU 102 2HD2 LEU 102 2.012 7.433 6.695 757 HD23 LEU 102 3HD2 LEU 102 3.476 7.767 7.650 758 H VAL 103 H VAL 103 7.938 8.241 5.409 759 HA VAL 103 HA VAL 103 8.240 10.504 3.733 760 HB VAL 103 HB VAL 103 6.315 11.238 5.087 761 HG11 VAL 103 1HG1 VAL 103 8.224 10.836 7.411 762 HG12 VAL 103 2HG1 VAL 103 6.720 11.785 7.506 763 HG13 VAL 103 3HG1 VAL 103 6.653 10.044 7.143 764 HG21 VAL 103 1HG2 VAL 103 8.197 12.770 4.229 765 HG22 VAL 103 2HG2 VAL 103 7.115 13.414 5.487 766 HG23 VAL 103 3HG2 VAL 103 8.741 12.835 5.922 767 H ASN 104 H ASN 104 10.047 11.993 4.782 768 HA ASN 104 HA ASN 104 12.195 11.979 5.206 769 HB2 ASN 104 1HB ASN 104 11.661 10.420 7.753 770 HB3 ASN 104 2HB ASN 104 12.685 11.824 7.528 771 HD21 ASN 104 1HD2 ASN 104 11.293 13.713 6.430 772 HD22 ASN 104 2HD2 ASN 104 9.871 14.147 7.318 773 H GLY 105 H GLY 105 11.647 9.823 3.504 774 HA2 GLY 105 1HA GLY 105 12.189 7.691 2.930 775 HA3 GLY 105 2HA GLY 105 13.771 8.217 3.470 776 H LEU 106 H LEU 106 11.001 7.933 5.707 777 HA LEU 106 HA LEU 106 12.248 5.510 6.803 778 HB2 LEU 106 1HB LEU 106 11.451 8.056 8.149 779 HB3 LEU 106 2HB LEU 106 11.279 6.547 9.024 780 HG LEU 106 HG LEU 106 13.809 7.806 7.957 781 HD11 LEU 106 1HD1 LEU 106 14.528 7.641 10.308 782 HD12 LEU 106 2HD1 LEU 106 13.061 8.630 10.112 783 HD13 LEU 106 3HD1 LEU 106 12.936 6.967 10.735 784 HD21 LEU 106 1HD2 LEU 106 14.876 5.686 9.049 785 HD22 LEU 106 2HD2 LEU 106 13.293 4.946 8.707 786 HD23 LEU 106 3HD2 LEU 106 14.266 5.621 7.378 787 H TYR 107 H TYR 107 10.360 4.888 8.739 788 HA TYR 107 HA TYR 107 8.534 3.580 8.777 789 HB2 TYR 107 1HB TYR 107 7.215 6.043 7.517 790 HB3 TYR 107 2HB TYR 107 6.567 5.033 8.794 791 HD1 TYR 107 1HD TYR 107 8.381 4.935 10.919 792 HD2 TYR 107 2HD TYR 107 7.761 8.182 8.203 793 HE1 TYR 107 1HE TYR 107 9.273 6.566 12.654 794 HE2 TYR 107 2HE TYR 107 8.655 9.801 9.946 795 HH TYR 107 HH TYR 107 10.428 8.898 12.503 796 HA PRO 108 HA PRO 108 8.295 2.869 4.248 797 HB2 PRO 108 1HB PRO 108 9.842 0.625 4.051 798 HB3 PRO 108 2HB PRO 108 10.444 2.237 3.717 799 HG2 PRO 108 1HG PRO 108 10.930 0.530 6.081 800 HG3 PRO 108 2HG PRO 108 11.833 1.927 5.532 801 HD2 PRO 108 1HD PRO 108 9.965 1.838 7.706 802 HD3 PRO 108 2HD PRO 108 10.780 3.259 7.083 803 H LEU 109 H LEU 109 7.489 0.858 3.021 804 HA LEU 109 HA LEU 109 6.142 -0.938 4.856 805 HB2 LEU 109 1HB LEU 109 4.698 0.945 2.997 806 HB3 LEU 109 2HB LEU 109 3.973 -0.529 3.608 807 HG LEU 109 HG LEU 109 4.723 0.531 5.954 808 HD11 LEU 109 1HD1 LEU 109 5.430 2.628 5.836 809 HD12 LEU 109 2HD1 LEU 109 5.137 2.674 4.081 810 HD13 LEU 109 3HD1 LEU 109 3.831 3.102 5.212 811 HD21 LEU 109 1HD2 LEU 109 2.285 1.851 5.324 812 HD22 LEU 109 2HD2 LEU 109 2.308 0.303 4.447 813 HD23 LEU 109 3HD2 LEU 109 2.532 0.329 6.213 814 H THR 110 H THR 110 4.877 -2.649 3.451 815 HA THR 110 HA THR 110 6.354 -3.097 0.951 816 HB THR 110 HB THR 110 5.834 -5.157 3.159 817 HG1 THR 110 1HG THR 110 7.509 -3.675 3.758 818 HG21 THR 110 1HG2 THR 110 6.315 -6.634 1.467 819 HG22 THR 110 2HG2 THR 110 6.768 -5.319 0.356 820 HG23 THR 110 3HG2 THR 110 7.961 -5.958 1.512 821 H LEU 111 H LEU 111 4.964 -3.151 -0.689 822 HA LEU 111 HA LEU 111 2.189 -3.486 -0.216 823 HB2 LEU 111 1HB LEU 111 2.833 -2.022 -1.932 824 HB3 LEU 111 2HB LEU 111 3.916 -3.193 -2.658 825 HG LEU 111 HG LEU 111 2.079 -4.499 -3.498 826 HD11 LEU 111 1HD1 LEU 111 0.068 -2.573 -2.355 827 HD12 LEU 111 2HD1 LEU 111 -0.175 -4.216 -2.995 828 HD13 LEU 111 3HD1 LEU 111 0.630 -3.983 -1.425 829 HD21 LEU 111 1HD2 LEU 111 2.784 -2.584 -4.845 830 HD22 LEU 111 2HD2 LEU 111 1.045 -2.909 -5.040 831 HD23 LEU 111 3HD2 LEU 111 1.588 -1.554 -4.022 832 H ARG 112 H ARG 112 1.231 -5.382 0.266 833 HA ARG 112 HA ARG 112 2.397 -7.738 -0.986 834 HB2 ARG 112 1HB ARG 112 0.937 -7.402 1.676 835 HB3 ARG 112 2HB ARG 112 1.234 -8.977 0.968 836 HG2 ARG 112 1HG ARG 112 3.458 -6.956 1.498 837 HG3 ARG 112 2HG ARG 112 2.980 -8.170 2.668 838 HD2 ARG 112 1HD ARG 112 3.428 -9.956 0.912 839 HD3 ARG 112 2HD ARG 112 4.040 -8.702 -0.149 840 HE ARG 112 HE ARG 112 5.503 -8.285 2.145 841 HH11 ARG 112 2HH2 ARG 112 4.866 -11.150 0.204 842 HH12 ARG 112 1HH2 ARG 112 6.374 -11.908 0.597 843 HH21 ARG 112 2HH1 ARG 112 7.492 -9.284 2.664 844 HH22 ARG 112 1HH1 ARG 112 7.877 -10.839 2.005 845 H TRP 113 H TRP 113 0.753 -9.534 -1.458 846 HA TRP 113 HA TRP 113 -1.924 -8.432 -1.936 847 HB2 TRP 113 1HB TRP 113 -1.139 -8.255 -4.073 848 HB3 TRP 113 2HB TRP 113 -0.007 -9.582 -3.903 849 HD1 TRP 113 HD TRP 113 -1.488 -12.133 -3.594 850 HE1 TRP 113 1HE TRP 113 -3.432 -13.071 -5.112 851 HE3 TRP 113 3HE TRP 113 -2.862 -7.634 -5.524 852 HZ2 TRP 113 2HZ TRP 113 -5.284 -11.854 -6.910 853 HZ3 TRP 113 3HZ TRP 113 -4.747 -7.596 -7.155 854 HH2 TRP 113 HH TRP 113 -5.944 -9.610 -7.852 855 H SER 114 H SER 114 -3.585 -9.894 -1.459 856 HA SER 114 HA SER 114 -2.730 -12.217 -0.032 857 HB2 SER 114 1HB SER 114 -4.506 -11.282 1.108 858 HB3 SER 114 2HB SER 114 -5.252 -10.647 -0.346 859 HG SER 114 HG SER 114 -5.178 -13.486 0.100 860 H GLY 115 H GLY 115 -2.838 -14.343 -0.758 861 HA2 GLY 115 1HA GLY 115 -4.599 -15.210 -2.802 862 HA3 GLY 115 2HA GLY 115 -3.005 -14.917 -3.468 863 HA PRO 116 HA PRO 116 -2.645 -19.071 -1.877 864 HB2 PRO 116 1HB PRO 116 -0.995 -20.014 -3.840 865 HB3 PRO 116 2HB PRO 116 -2.742 -20.106 -3.932 866 HG2 PRO 116 1HG PRO 116 -0.905 -18.282 -5.359 867 HG3 PRO 116 2HG PRO 116 -2.569 -18.681 -5.737 868 HD2 PRO 116 1HD PRO 116 -1.618 -16.271 -4.506 869 HD3 PRO 116 2HD PRO 116 -3.290 -16.719 -4.779 870 H SER 117 H SER 117 -1.649 -18.274 0.020 871 HA SER 117 HA SER 117 0.929 -19.155 0.265 872 HB2 SER 117 1HB SER 117 0.839 -16.589 -0.999 873 HB3 SER 117 2HB SER 117 1.411 -16.320 0.635 874 HG SER 117 HG SER 117 2.806 -17.277 -1.456 875 H SER 118 H SER 118 1.526 -19.159 2.491 876 HA SER 118 HA SER 118 1.265 -18.989 4.639 877 HB2 SER 118 1HB SER 118 0.844 -16.343 3.706 878 HB3 SER 118 2HB SER 118 -0.421 -16.616 4.887 879 HG SER 118 HG SER 118 1.852 -15.819 5.590 880 H GLY 119 H GLY 119 -0.311 -19.394 6.404 881 HA2 GLY 119 1HA GLY 119 -2.647 -19.450 7.046 882 HA3 GLY 119 2HA GLY 119 -3.049 -19.889 5.398 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -35.054 -33.512 -14.711 2 HA2 GLY 1 1HA GLY 1 -32.209 -33.885 -14.083 3 HA3 GLY 1 2HA GLY 1 -33.035 -32.369 -14.385 4 H SER 2 H SER 2 -31.328 -32.974 -12.091 5 HA SER 2 HA SER 2 -32.763 -33.709 -9.866 6 HB2 SER 2 1HB SER 2 -30.179 -33.167 -10.308 7 HB3 SER 2 2HB SER 2 -30.617 -31.598 -9.661 8 HG SER 2 HG SER 2 -31.136 -32.493 -7.688 9 H SER 3 H SER 3 -33.008 -31.977 -7.905 10 HA SER 3 HA SER 3 -35.195 -30.554 -8.305 11 HB2 SER 3 1HB SER 3 -34.426 -29.076 -6.378 12 HB3 SER 3 2HB SER 3 -34.332 -30.800 -6.082 13 HG SER 3 HG SER 3 -32.055 -30.732 -6.542 14 H GLY 4 H GLY 4 -31.875 -29.042 -8.348 15 HA2 GLY 4 1HA GLY 4 -31.748 -27.722 -10.609 16 HA3 GLY 4 2HA GLY 4 -32.970 -26.754 -9.809 17 H SER 5 H SER 5 -29.594 -27.964 -9.576 18 HA SER 5 HA SER 5 -27.796 -26.975 -8.830 19 HB2 SER 5 1HB SER 5 -29.115 -24.783 -9.459 20 HB3 SER 5 2HB SER 5 -29.335 -24.607 -7.729 21 HG SER 5 HG SER 5 -27.233 -24.146 -7.453 22 H SER 6 H SER 6 -26.702 -27.500 -6.939 23 HA SER 6 HA SER 6 -28.015 -27.110 -4.432 24 HB2 SER 6 1HB SER 6 -27.920 -29.451 -3.714 25 HB3 SER 6 2HB SER 6 -28.918 -29.315 -5.148 26 HG SER 6 HG SER 6 -27.595 -31.033 -5.602 27 H GLY 7 H GLY 7 -26.092 -25.640 -4.409 28 HA2 GLY 7 1HA GLY 7 -24.150 -25.731 -2.911 29 HA3 GLY 7 2HA GLY 7 -23.603 -27.129 -3.815 30 H MET 8 H MET 8 -21.894 -24.955 -3.565 31 HA MET 8 HA MET 8 -21.458 -24.354 -6.279 32 HB2 MET 8 1HB MET 8 -21.688 -21.888 -6.123 33 HB3 MET 8 2HB MET 8 -23.219 -22.636 -5.717 34 HG2 MET 8 1HG MET 8 -21.671 -22.433 -3.286 35 HG3 MET 8 2HG MET 8 -21.606 -20.878 -4.091 36 HE1 MET 8 1HE MET 8 -24.466 -23.103 -1.882 37 HE2 MET 8 2HE MET 8 -22.800 -22.527 -1.635 38 HE3 MET 8 3HE MET 8 -24.175 -21.514 -1.135 39 H SER 9 H SER 9 -19.314 -23.510 -6.641 40 HA SER 9 HA SER 9 -17.781 -23.047 -4.224 41 HB2 SER 9 1HB SER 9 -17.506 -25.337 -6.070 42 HB3 SER 9 2HB SER 9 -16.002 -24.466 -5.847 43 HG SER 9 HG SER 9 -15.825 -25.502 -3.990 44 H GLN 10 H GLN 10 -15.527 -22.106 -4.819 45 HA GLN 10 HA GLN 10 -15.092 -21.144 -7.388 46 HB2 GLN 10 1HB GLN 10 -15.515 -18.726 -7.049 47 HB3 GLN 10 2HB GLN 10 -16.998 -19.654 -6.941 48 HG2 GLN 10 1HG GLN 10 -17.356 -18.985 -4.800 49 HG3 GLN 10 2HG GLN 10 -15.751 -19.489 -4.310 50 HE21 GLN 10 1HE2 GLN 10 -16.975 -17.255 -3.276 51 HE22 GLN 10 2HE2 GLN 10 -16.145 -15.818 -3.773 52 H LEU 11 H LEU 11 -13.324 -22.475 -6.027 53 HA LEU 11 HA LEU 11 -11.888 -21.280 -4.013 54 HB2 LEU 11 1HB LEU 11 -11.184 -23.227 -6.188 55 HB3 LEU 11 2HB LEU 11 -9.963 -22.661 -5.065 56 HG LEU 11 HG LEU 11 -12.148 -23.454 -3.465 57 HD11 LEU 11 1HD1 LEU 11 -12.190 -25.933 -4.246 58 HD12 LEU 11 2HD1 LEU 11 -13.247 -24.742 -5.042 59 HD13 LEU 11 3HD1 LEU 11 -11.738 -25.260 -5.831 60 HD21 LEU 11 1HD2 LEU 11 -9.718 -23.577 -2.953 61 HD22 LEU 11 2HD2 LEU 11 -10.605 -25.075 -2.581 62 HD23 LEU 11 3HD2 LEU 11 -9.595 -24.979 -4.043 63 H GLY 12 H GLY 12 -9.430 -20.577 -4.384 64 HA2 GLY 12 1HA GLY 12 -8.058 -18.935 -5.066 65 HA3 GLY 12 2HA GLY 12 -8.679 -19.200 -6.683 66 H SER 13 H SER 13 -10.257 -17.807 -7.569 67 HA SER 13 HA SER 13 -11.481 -16.027 -7.797 68 HB2 SER 13 1HB SER 13 -12.492 -16.947 -5.542 69 HB3 SER 13 2HB SER 13 -11.673 -15.583 -4.807 70 HG SER 13 HG SER 13 -13.199 -14.999 -7.122 71 H ARG 14 H ARG 14 -11.517 -13.522 -7.273 72 HA ARG 14 HA ARG 14 -9.017 -12.559 -7.669 73 HB2 ARG 14 1HB ARG 14 -11.421 -11.144 -6.410 74 HB3 ARG 14 2HB ARG 14 -10.014 -10.311 -7.040 75 HG2 ARG 14 1HG ARG 14 -10.503 -10.883 -9.281 76 HG3 ARG 14 2HG ARG 14 -11.471 -12.272 -8.827 77 HD2 ARG 14 1HD ARG 14 -12.685 -9.916 -7.663 78 HD3 ARG 14 2HD ARG 14 -12.361 -9.581 -9.353 79 HE ARG 14 HE ARG 14 -14.271 -11.535 -8.294 80 HH11 ARG 14 2HH2 ARG 14 -12.332 -10.623 -11.085 81 HH12 ARG 14 1HH2 ARG 14 -13.337 -11.464 -12.218 82 HH21 ARG 14 2HH1 ARG 14 -15.597 -12.644 -9.788 83 HH22 ARG 14 1HH1 ARG 14 -15.207 -12.620 -11.475 84 H GLY 15 H GLY 15 -8.247 -10.545 -6.018 85 HA2 GLY 15 1HA GLY 15 -8.165 -11.628 -3.280 86 HA3 GLY 15 2HA GLY 15 -6.670 -11.310 -4.137 87 H ARG 16 H ARG 16 -6.311 -9.778 -2.264 88 HA ARG 16 HA ARG 16 -7.258 -7.193 -3.082 89 HB2 ARG 16 1HB ARG 16 -7.719 -6.621 -0.598 90 HB3 ARG 16 2HB ARG 16 -8.919 -7.608 -1.408 91 HG2 ARG 16 1HG ARG 16 -7.587 -9.660 -0.497 92 HG3 ARG 16 2HG ARG 16 -6.772 -8.514 0.550 93 HD2 ARG 16 1HD ARG 16 -8.547 -8.455 1.968 94 HD3 ARG 16 2HD ARG 16 -9.635 -8.020 0.664 95 HE ARG 16 HE ARG 16 -10.272 -10.275 0.447 96 HH11 ARG 16 2HH2 ARG 16 -7.416 -10.033 2.489 97 HH12 ARG 16 1HH2 ARG 16 -7.482 -11.688 2.997 98 HH21 ARG 16 2HH1 ARG 16 -10.359 -12.458 1.117 99 HH22 ARG 16 1HH1 ARG 16 -9.168 -13.077 2.212 100 H LEU 17 H LEU 17 -5.718 -5.537 -2.634 101 HA LEU 17 HA LEU 17 -3.126 -6.522 -1.858 102 HB2 LEU 17 1HB LEU 17 -4.042 -3.783 -2.747 103 HB3 LEU 17 2HB LEU 17 -2.377 -4.274 -2.502 104 HG LEU 17 HG LEU 17 -3.765 -6.070 -4.335 105 HD11 LEU 17 1HD1 LEU 17 -5.115 -4.199 -4.957 106 HD12 LEU 17 2HD1 LEU 17 -3.700 -3.120 -5.014 107 HD13 LEU 17 3HD1 LEU 17 -3.877 -4.420 -6.217 108 HD21 LEU 17 1HD2 LEU 17 -1.440 -6.209 -4.299 109 HD22 LEU 17 2HD2 LEU 17 -1.781 -5.297 -5.789 110 HD23 LEU 17 3HD2 LEU 17 -1.232 -4.441 -4.328 111 H TRP 18 H TRP 18 -1.784 -5.361 -0.218 112 HA TRP 18 HA TRP 18 -3.075 -3.730 1.708 113 HB2 TRP 18 1HB TRP 18 -2.845 -5.359 3.602 114 HB3 TRP 18 2HB TRP 18 -4.186 -5.628 2.507 115 HD1 TRP 18 HD TRP 18 -3.894 -7.789 0.766 116 HE1 TRP 18 1HE TRP 18 -2.596 -10.079 0.959 117 HE3 TRP 18 3HE TRP 18 -0.819 -6.329 4.543 118 HZ2 TRP 18 2HZ TRP 18 -0.477 -11.002 2.633 119 HZ3 TRP 18 3HZ TRP 18 0.836 -7.985 5.400 120 HH2 TRP 18 HH TRP 18 1.036 -10.252 4.507 121 H LEU 19 H LEU 19 -1.477 -3.128 3.435 122 HA LEU 19 HA LEU 19 1.224 -3.403 2.361 123 HB2 LEU 19 1HB LEU 19 0.179 -1.494 4.454 124 HB3 LEU 19 2HB LEU 19 1.752 -1.456 3.681 125 HG LEU 19 HG LEU 19 0.592 0.220 2.585 126 HD11 LEU 19 1HD1 LEU 19 -0.177 -1.971 0.687 127 HD12 LEU 19 2HD1 LEU 19 0.576 -0.391 0.363 128 HD13 LEU 19 3HD1 LEU 19 1.537 -1.703 1.087 129 HD21 LEU 19 1HD2 LEU 19 -1.615 0.455 2.643 130 HD22 LEU 19 2HD2 LEU 19 -1.858 -1.041 1.711 131 HD23 LEU 19 3HD2 LEU 19 -1.705 -1.112 3.483 132 H GLN 20 H GLN 20 3.016 -3.956 3.757 133 HA GLN 20 HA GLN 20 2.120 -5.391 6.135 134 HB2 GLN 20 1HB GLN 20 2.822 -6.859 4.161 135 HB3 GLN 20 2HB GLN 20 4.443 -6.220 4.347 136 HG2 GLN 20 1HG GLN 20 4.308 -6.974 6.820 137 HG3 GLN 20 2HG GLN 20 2.854 -7.847 6.376 138 HE21 GLN 20 1HE2 GLN 20 3.630 -9.864 6.690 139 HE22 GLN 20 2HE2 GLN 20 4.859 -10.613 5.727 140 H SER 21 H SER 21 2.821 -4.267 7.901 141 HA SER 21 HA SER 21 5.038 -2.520 7.664 142 HB2 SER 21 1HB SER 21 4.512 -2.644 10.363 143 HB3 SER 21 2HB SER 21 3.698 -1.574 9.240 144 HG SER 21 HG SER 21 1.883 -2.734 9.380 145 HA PRO 22 HA PRO 22 8.081 -5.313 9.045 146 HB2 PRO 22 1HB PRO 22 10.035 -3.582 9.854 147 HB3 PRO 22 2HB PRO 22 9.772 -4.015 8.176 148 HG2 PRO 22 1HG PRO 22 9.077 -1.505 9.573 149 HG3 PRO 22 2HG PRO 22 9.217 -1.800 7.852 150 HD2 PRO 22 1HD PRO 22 6.789 -1.566 9.361 151 HD3 PRO 22 2HD PRO 22 6.932 -1.976 7.663 152 H THR 23 H THR 23 9.564 -5.933 10.922 153 HA THR 23 HA THR 23 9.407 -6.728 13.023 154 HB THR 23 HB THR 23 9.365 -3.686 13.239 155 HG1 THR 23 1HG THR 23 11.274 -5.855 13.765 156 HG21 THR 23 1HG2 THR 23 10.526 -4.568 15.574 157 HG22 THR 23 2HG2 THR 23 8.839 -4.008 15.473 158 HG23 THR 23 3HG2 THR 23 9.204 -5.748 15.404 159 H GLY 24 H GLY 24 6.894 -6.906 11.685 160 HA2 GLY 24 1HA GLY 24 4.792 -7.492 12.247 161 HA3 GLY 24 2HA GLY 24 5.214 -7.305 13.937 162 H GLY 25 H GLY 25 5.862 -4.661 14.271 163 HA2 GLY 25 1HA GLY 25 4.711 -2.776 14.824 164 HA3 GLY 25 2HA GLY 25 4.653 -2.614 13.080 165 HA PRO 26 HA PRO 26 0.330 -2.676 14.128 166 HB2 PRO 26 1HB PRO 26 -0.504 -1.052 12.095 167 HB3 PRO 26 2HB PRO 26 -0.018 -0.447 13.666 168 HG2 PRO 26 1HG PRO 26 1.460 -0.359 11.107 169 HG3 PRO 26 2HG PRO 26 1.720 0.589 12.558 170 HD2 PRO 26 1HD PRO 26 3.278 -1.648 11.666 171 HD3 PRO 26 2HD PRO 26 3.466 -0.774 13.174 172 HA PRO 27 HA PRO 27 -1.255 -5.517 11.397 173 HB2 PRO 27 1HB PRO 27 -3.916 -4.940 11.166 174 HB3 PRO 27 2HB PRO 27 -3.234 -5.783 12.543 175 HG2 PRO 27 1HG PRO 27 -4.157 -2.981 12.357 176 HG3 PRO 27 2HG PRO 27 -3.880 -3.953 13.789 177 HD2 PRO 27 1HD PRO 27 -2.172 -1.894 12.755 178 HD3 PRO 27 2HD PRO 27 -1.841 -2.944 14.118 179 HA PRO 28 HA PRO 28 -1.299 -4.207 7.364 180 HB2 PRO 28 1HB PRO 28 -2.453 -6.293 6.028 181 HB3 PRO 28 2HB PRO 28 -0.778 -6.294 6.543 182 HG2 PRO 28 1HG PRO 28 -3.077 -7.742 7.709 183 HG3 PRO 28 2HG PRO 28 -1.364 -8.046 7.924 184 HD2 PRO 28 1HD PRO 28 -3.129 -6.770 9.791 185 HD3 PRO 28 2HD PRO 28 -1.395 -6.971 9.956 186 H ILE 29 H ILE 29 -2.338 -2.715 6.181 187 HA ILE 29 HA ILE 29 -5.219 -2.657 6.668 188 HB ILE 29 HB ILE 29 -3.206 -0.581 5.831 189 HG12 ILE 29 1HG1 ILE 29 -4.719 0.402 7.915 190 HG13 ILE 29 2HG1 ILE 29 -4.623 -1.303 8.308 191 HG21 ILE 29 1HG2 ILE 29 -5.390 0.910 5.998 192 HG22 ILE 29 2HG2 ILE 29 -4.893 0.139 4.473 193 HG23 ILE 29 3HG2 ILE 29 -6.170 -0.600 5.469 194 HD11 ILE 29 1HD1 ILE 29 -2.027 -0.866 7.575 195 HD12 ILE 29 2HD1 ILE 29 -2.454 0.745 8.197 196 HD13 ILE 29 3HD1 ILE 29 -2.617 -0.685 9.245 197 H PHE 30 H PHE 30 -6.557 -3.452 5.146 198 HA PHE 30 HA PHE 30 -5.465 -4.042 2.545 199 HB2 PHE 30 1HB PHE 30 -8.109 -4.457 4.045 200 HB3 PHE 30 2HB PHE 30 -7.954 -4.915 2.361 201 HD1 PHE 30 2HD PHE 30 -6.880 -5.674 5.783 202 HD2 PHE 30 1HD PHE 30 -6.655 -6.845 1.710 203 HE1 PHE 30 2HE PHE 30 -5.931 -7.893 6.473 204 HE2 PHE 30 1HE PHE 30 -5.706 -9.064 2.401 205 HZ PHE 30 HZ PHE 30 -5.356 -9.561 4.774 206 H LEU 31 H LEU 31 -5.427 -2.497 0.982 207 HA LEU 31 HA LEU 31 -6.946 -0.150 1.140 208 HB2 LEU 31 1HB LEU 31 -5.851 -1.146 -1.451 209 HB3 LEU 31 2HB LEU 31 -5.883 0.479 -0.796 210 HG LEU 31 HG LEU 31 -4.000 -1.778 -0.120 211 HD11 LEU 31 1HD1 LEU 31 -2.368 0.215 -0.529 212 HD12 LEU 31 2HD1 LEU 31 -3.116 -0.621 -1.911 213 HD13 LEU 31 3HD1 LEU 31 -3.762 0.945 -1.361 214 HD21 LEU 31 1HD2 LEU 31 -3.219 0.405 1.428 215 HD22 LEU 31 2HD2 LEU 31 -4.976 0.277 1.682 216 HD23 LEU 31 3HD2 LEU 31 -3.926 -1.124 2.003 217 HA PRO 32 HA PRO 32 -10.661 -1.249 -0.761 218 HB2 PRO 32 1HB PRO 32 -11.356 0.988 -2.169 219 HB3 PRO 32 2HB PRO 32 -11.570 0.841 -0.436 220 HG2 PRO 32 1HG PRO 32 -9.531 2.375 -1.928 221 HG3 PRO 32 2HG PRO 32 -10.026 2.545 -0.256 222 HD2 PRO 32 1HD PRO 32 -7.634 1.289 -1.218 223 HD3 PRO 32 2HD PRO 32 -8.187 1.357 0.444 224 H SER 33 H SER 33 -10.781 -2.919 -2.120 225 HA SER 33 HA SER 33 -9.242 -2.901 -4.441 226 HB2 SER 33 1HB SER 33 -11.706 -4.624 -3.987 227 HB3 SER 33 2HB SER 33 -10.282 -5.018 -4.929 228 HG SER 33 HG SER 33 -10.187 -6.090 -2.896 229 H ASP 34 H ASP 34 -12.485 -1.741 -3.642 230 HA ASP 34 HA ASP 34 -13.796 -1.849 -5.967 231 HB2 ASP 34 1HB ASP 34 -14.487 -0.767 -3.735 232 HB3 ASP 34 2HB ASP 34 -13.639 0.674 -4.259 233 H GLY 35 H GLY 35 -11.009 0.189 -5.057 234 HA2 GLY 35 1HA GLY 35 -9.610 0.795 -7.005 235 HA3 GLY 35 2HA GLY 35 -11.065 1.438 -7.740 236 H GLN 36 H GLN 36 -11.645 2.078 -4.572 237 HA GLN 36 HA GLN 36 -11.297 4.772 -4.804 238 HB2 GLN 36 1HB GLN 36 -11.896 2.853 -2.625 239 HB3 GLN 36 2HB GLN 36 -11.183 4.352 -2.064 240 HG2 GLN 36 1HG GLN 36 -12.918 5.602 -3.470 241 HG3 GLN 36 2HG GLN 36 -13.686 4.058 -3.785 242 HE21 GLN 36 1HE2 GLN 36 -13.896 2.679 -1.677 243 HE22 GLN 36 2HE2 GLN 36 -14.633 3.483 -0.331 244 H ALA 37 H ALA 37 -9.927 6.011 -2.884 245 HA ALA 37 HA ALA 37 -7.184 4.971 -3.097 246 HB1 ALA 37 1HB ALA 37 -7.918 7.026 -4.556 247 HB2 ALA 37 2HB ALA 37 -7.830 7.919 -3.019 248 HB3 ALA 37 3HB ALA 37 -6.385 7.096 -3.655 249 H LEU 38 H LEU 38 -6.301 4.540 -1.141 250 HA LEU 38 HA LEU 38 -7.658 5.603 1.198 251 HB2 LEU 38 1HB LEU 38 -6.745 3.129 0.604 252 HB3 LEU 38 2HB LEU 38 -5.358 3.763 1.467 253 HG LEU 38 HG LEU 38 -6.737 4.235 3.426 254 HD11 LEU 38 1HD1 LEU 38 -8.861 4.797 2.780 255 HD12 LEU 38 2HD1 LEU 38 -8.971 3.484 1.584 256 HD13 LEU 38 3HD1 LEU 38 -9.123 3.122 3.320 257 HD21 LEU 38 1HD2 LEU 38 -7.189 1.402 2.451 258 HD22 LEU 38 2HD2 LEU 38 -5.671 2.016 3.149 259 HD23 LEU 38 3HD2 LEU 38 -7.150 1.966 4.139 260 H VAL 39 H VAL 39 -6.866 7.224 2.455 261 HA VAL 39 HA VAL 39 -4.308 8.347 1.617 262 HB VAL 39 HB VAL 39 -6.804 9.348 2.881 263 HG11 VAL 39 1HG1 VAL 39 -5.219 11.482 3.374 264 HG12 VAL 39 2HG1 VAL 39 -5.636 10.261 4.601 265 HG13 VAL 39 3HG1 VAL 39 -4.079 10.165 3.742 266 HG21 VAL 39 1HG2 VAL 39 -6.505 11.179 1.336 267 HG22 VAL 39 2HG2 VAL 39 -4.851 10.644 0.952 268 HG23 VAL 39 3HG2 VAL 39 -6.244 9.649 0.465 269 H LEU 40 H LEU 40 -2.513 7.774 2.719 270 HA LEU 40 HA LEU 40 -2.881 6.787 5.445 271 HB2 LEU 40 1HB LEU 40 -0.914 6.305 3.263 272 HB3 LEU 40 2HB LEU 40 -0.343 6.190 4.915 273 HG LEU 40 HG LEU 40 -0.909 4.002 4.355 274 HD11 LEU 40 1HD1 LEU 40 -2.588 3.376 5.870 275 HD12 LEU 40 2HD1 LEU 40 -1.951 4.912 6.504 276 HD13 LEU 40 3HD1 LEU 40 -3.499 4.885 5.626 277 HD21 LEU 40 1HD2 LEU 40 -3.673 4.292 3.459 278 HD22 LEU 40 2HD2 LEU 40 -2.509 5.123 2.399 279 HD23 LEU 40 3HD2 LEU 40 -2.319 3.387 2.742 280 H GLY 41 H GLY 41 -0.977 7.364 6.978 281 HA2 GLY 41 1HA GLY 41 0.766 9.322 6.927 282 HA3 GLY 41 2HA GLY 41 -0.703 10.277 6.886 283 H ARG 42 H ARG 42 -0.148 11.183 8.991 284 HA ARG 42 HA ARG 42 0.385 9.654 11.198 285 HB2 ARG 42 1HB ARG 42 -0.354 12.433 10.607 286 HB3 ARG 42 2HB ARG 42 -1.076 11.915 12.117 287 HG2 ARG 42 1HG ARG 42 1.296 10.978 12.707 288 HG3 ARG 42 2HG ARG 42 1.872 11.956 11.372 289 HD2 ARG 42 1HD ARG 42 2.070 13.235 13.464 290 HD3 ARG 42 2HD ARG 42 0.874 13.995 12.433 291 HE ARG 42 HE ARG 42 0.340 12.493 14.933 292 HH11 ARG 42 2HH2 ARG 42 -0.969 14.140 12.113 293 HH12 ARG 42 1HH2 ARG 42 -2.548 14.331 12.798 294 HH21 ARG 42 2HH1 ARG 42 -1.743 12.744 15.838 295 HH22 ARG 42 1HH1 ARG 42 -2.991 13.531 14.932 296 H GLY 43 H GLY 43 -0.983 8.993 13.026 297 HA2 GLY 43 1HA GLY 43 -3.299 9.042 13.893 298 HA3 GLY 43 2HA GLY 43 -3.825 8.657 12.267 299 HA PRO 44 HA PRO 44 -3.156 4.720 14.463 300 HB2 PRO 44 1HB PRO 44 -5.689 3.716 14.250 301 HB3 PRO 44 2HB PRO 44 -5.116 4.580 15.663 302 HG2 PRO 44 1HG PRO 44 -6.933 5.518 13.529 303 HG3 PRO 44 2HG PRO 44 -6.688 6.182 15.132 304 HD2 PRO 44 1HD PRO 44 -5.664 7.229 12.666 305 HD3 PRO 44 2HD PRO 44 -5.324 7.824 14.278 306 H LEU 45 H LEU 45 -3.677 5.817 11.458 307 HA LEU 45 HA LEU 45 -4.313 3.492 10.062 308 HB2 LEU 45 1HB LEU 45 -3.072 6.123 9.436 309 HB3 LEU 45 2HB LEU 45 -2.876 4.836 8.262 310 HG LEU 45 HG LEU 45 -4.782 6.258 7.722 311 HD11 LEU 45 1HD1 LEU 45 -4.716 3.569 7.571 312 HD12 LEU 45 2HD1 LEU 45 -6.189 3.783 8.548 313 HD13 LEU 45 3HD1 LEU 45 -6.058 4.561 6.952 314 HD21 LEU 45 1HD2 LEU 45 -6.816 5.693 9.459 315 HD22 LEU 45 2HD2 LEU 45 -5.426 5.843 10.561 316 HD23 LEU 45 3HD2 LEU 45 -5.841 7.182 9.465 317 H THR 46 H THR 46 -1.046 5.021 10.544 318 HA THR 46 HA THR 46 0.062 2.293 10.415 319 HB THR 46 HB THR 46 2.019 3.362 9.254 320 HG1 THR 46 1HG THR 46 1.208 5.503 10.354 321 HG21 THR 46 1HG2 THR 46 0.551 2.611 7.558 322 HG22 THR 46 2HG2 THR 46 -0.773 3.666 8.107 323 HG23 THR 46 3HG2 THR 46 0.607 4.358 7.220 324 H GLN 47 H GLN 47 -0.884 4.159 12.682 325 HA GLN 47 HA GLN 47 -0.233 4.716 14.677 326 HB2 GLN 47 1HB GLN 47 1.775 2.521 14.086 327 HB3 GLN 47 2HB GLN 47 1.799 3.357 15.626 328 HG2 GLN 47 1HG GLN 47 0.362 1.168 15.391 329 HG3 GLN 47 2HG GLN 47 -0.303 2.527 16.276 330 HE21 GLN 47 1HE2 GLN 47 -0.020 1.331 12.931 331 HE22 GLN 47 2HE2 GLN 47 -1.638 1.695 12.430 332 H VAL 48 H VAL 48 0.984 6.063 12.208 333 HA VAL 48 HA VAL 48 3.575 6.910 13.146 334 HB VAL 48 HB VAL 48 1.845 7.609 10.773 335 HG11 VAL 48 1HG1 VAL 48 4.409 8.837 11.743 336 HG12 VAL 48 2HG1 VAL 48 4.121 8.673 9.994 337 HG13 VAL 48 3HG1 VAL 48 2.987 9.606 11.000 338 HG21 VAL 48 1HG2 VAL 48 3.241 5.358 11.138 339 HG22 VAL 48 2HG2 VAL 48 3.105 6.147 9.548 340 HG23 VAL 48 3HG2 VAL 48 4.561 6.392 10.541 341 H THR 49 H THR 49 4.028 8.738 14.304 342 HA THR 49 HA THR 49 1.865 10.702 14.597 343 HB THR 49 HB THR 49 2.389 10.745 17.058 344 HG1 THR 49 1HG THR 49 3.924 9.157 17.770 345 HG21 THR 49 1HG2 THR 49 0.700 8.999 15.973 346 HG22 THR 49 2HG2 THR 49 1.974 7.819 16.363 347 HG23 THR 49 3HG2 THR 49 1.218 8.775 17.661 348 H ASP 50 H ASP 50 4.285 10.597 12.880 349 HA ASP 50 HA ASP 50 6.074 12.405 14.193 350 HB2 ASP 50 1HB ASP 50 7.014 10.732 12.682 351 HB3 ASP 50 2HB ASP 50 5.947 11.226 11.383 352 H ARG 51 H ARG 51 6.100 14.666 13.842 353 HA ARG 51 HA ARG 51 3.846 15.869 12.855 354 HB2 ARG 51 1HB ARG 51 6.676 16.912 13.322 355 HB3 ARG 51 2HB ARG 51 5.376 17.976 12.824 356 HG2 ARG 51 1HG ARG 51 4.075 17.447 14.826 357 HG3 ARG 51 2HG ARG 51 5.188 16.171 15.278 358 HD2 ARG 51 1HD ARG 51 7.015 18.062 15.301 359 HD3 ARG 51 2HD ARG 51 5.661 19.174 15.324 360 HE ARG 51 HE ARG 51 5.287 17.136 17.332 361 HH11 ARG 51 2HH2 ARG 51 7.168 20.032 16.659 362 HH12 ARG 51 1HH2 ARG 51 7.404 20.422 18.330 363 HH21 ARG 51 2HH1 ARG 51 5.597 17.649 19.537 364 HH22 ARG 51 1HH1 ARG 51 6.505 19.057 19.978 365 H LYS 52 H LYS 52 7.028 15.153 11.322 366 HA LYS 52 HA LYS 52 6.732 16.646 9.017 367 HB2 LYS 52 1HB LYS 52 8.145 13.992 9.417 368 HB3 LYS 52 2HB LYS 52 8.375 15.065 8.051 369 HG2 LYS 52 1HG LYS 52 8.658 16.690 10.385 370 HG3 LYS 52 2HG LYS 52 9.551 15.218 10.711 371 HD2 LYS 52 1HD LYS 52 10.845 15.475 8.634 372 HD3 LYS 52 2HD LYS 52 9.867 16.845 8.146 373 HE2 LYS 52 1HE LYS 52 10.665 17.784 10.559 374 HE3 LYS 52 2HE LYS 52 12.002 16.690 10.264 375 HZ1 LYS 52 1HZ LYS 52 12.518 18.784 9.341 376 HZ2 LYS 52 2HZ LYS 52 12.246 17.778 8.083 377 HZ3 LYS 52 3HZ LYS 52 11.113 18.873 8.513 378 H CYS 53 H CYS 53 5.132 13.686 10.075 379 HA CYS 53 HA CYS 53 4.288 12.960 7.450 380 HB2 CYS 53 1HB CYS 53 4.139 11.833 10.132 381 HB3 CYS 53 2HB CYS 53 2.601 11.698 9.304 382 HG CYS 53 HG CYS 53 3.158 10.015 7.720 383 H SER 54 H SER 54 1.841 12.830 6.955 384 HA SER 54 HA SER 54 0.337 14.875 8.329 385 HB2 SER 54 1HB SER 54 1.642 15.610 6.053 386 HB3 SER 54 2HB SER 54 0.176 14.968 5.339 387 HG SER 54 HG SER 54 -0.304 16.624 7.549 388 H ARG 55 H ARG 55 -1.911 14.436 8.343 389 HA ARG 55 HA ARG 55 -2.789 11.970 8.241 390 HB2 ARG 55 1HB ARG 55 -4.035 14.628 7.982 391 HB3 ARG 55 2HB ARG 55 -4.993 13.396 7.183 392 HG2 ARG 55 1HG ARG 55 -4.458 12.051 9.476 393 HG3 ARG 55 2HG ARG 55 -4.311 13.683 10.099 394 HD2 ARG 55 1HD ARG 55 -6.715 12.958 8.399 395 HD3 ARG 55 2HD ARG 55 -6.678 12.470 10.081 396 HE ARG 55 HE ARG 55 -5.966 15.161 10.156 397 HH11 ARG 55 2HH2 ARG 55 -8.699 13.356 8.870 398 HH12 ARG 55 1HH2 ARG 55 -9.822 14.658 9.082 399 HH21 ARG 55 2HH1 ARG 55 -7.447 16.878 10.436 400 HH22 ARG 55 1HH1 ARG 55 -9.105 16.675 9.978 401 H ASN 56 H ASN 56 -2.385 14.151 5.422 402 HA ASN 56 HA ASN 56 -3.077 11.874 3.735 403 HB2 ASN 56 1HB ASN 56 -3.330 14.825 2.963 404 HB3 ASN 56 2HB ASN 56 -3.917 13.450 2.048 405 HD21 ASN 56 1HD2 ASN 56 -6.037 13.711 2.033 406 HD22 ASN 56 2HD2 ASN 56 -7.068 13.845 3.418 407 H GLN 57 H GLN 57 -0.571 11.630 4.321 408 HA GLN 57 HA GLN 57 1.171 13.494 3.125 409 HB2 GLN 57 1HB GLN 57 1.965 12.227 5.015 410 HB3 GLN 57 2HB GLN 57 1.548 10.699 4.263 411 HG2 GLN 57 1HG GLN 57 3.963 11.034 4.074 412 HG3 GLN 57 2HG GLN 57 3.256 11.124 2.473 413 HE21 GLN 57 1HE2 GLN 57 5.318 12.217 2.052 414 HE22 GLN 57 2HE2 GLN 57 5.435 13.930 2.283 415 H VAL 58 H VAL 58 -0.325 10.386 2.156 416 HA VAL 58 HA VAL 58 0.404 10.959 -0.581 417 HB VAL 58 HB VAL 58 1.183 8.513 -0.785 418 HG11 VAL 58 1HG1 VAL 58 2.617 10.481 -1.158 419 HG12 VAL 58 2HG1 VAL 58 2.972 10.550 0.585 420 HG13 VAL 58 3HG1 VAL 58 3.510 9.154 -0.378 421 HG21 VAL 58 1HG2 VAL 58 1.685 7.285 1.037 422 HG22 VAL 58 2HG2 VAL 58 2.340 8.682 1.924 423 HG23 VAL 58 3HG2 VAL 58 0.584 8.397 1.885 424 H GLU 59 H GLU 59 -0.762 9.399 -2.092 425 HA GLU 59 HA GLU 59 -3.206 8.510 -0.767 426 HB2 GLU 59 1HB GLU 59 -3.270 10.578 -2.381 427 HB3 GLU 59 2HB GLU 59 -3.104 9.397 -3.665 428 HG2 GLU 59 1HG GLU 59 -5.274 8.736 -3.470 429 HG3 GLU 59 2HG GLU 59 -5.140 8.549 -1.733 430 H LEU 60 H LEU 60 -3.236 6.305 -0.704 431 HA LEU 60 HA LEU 60 -1.840 4.866 -2.816 432 HB2 LEU 60 1HB LEU 60 -2.777 4.215 -0.048 433 HB3 LEU 60 2HB LEU 60 -2.505 2.919 -1.196 434 HG LEU 60 HG LEU 60 -0.197 4.479 -1.390 435 HD11 LEU 60 1HD1 LEU 60 -1.021 5.648 0.693 436 HD12 LEU 60 2HD1 LEU 60 -0.798 4.104 1.549 437 HD13 LEU 60 3HD1 LEU 60 0.597 4.915 0.799 438 HD21 LEU 60 1HD2 LEU 60 0.904 2.564 -0.343 439 HD22 LEU 60 2HD2 LEU 60 -0.669 1.961 0.231 440 HD23 LEU 60 3HD2 LEU 60 -0.329 2.040 -1.514 441 H ILE 61 H ILE 61 -2.857 3.317 -4.156 442 HA ILE 61 HA ILE 61 -5.753 3.128 -3.931 443 HB ILE 61 HB ILE 61 -4.263 4.243 -6.296 444 HG12 ILE 61 1HG1 ILE 61 -6.790 5.285 -5.019 445 HG13 ILE 61 2HG1 ILE 61 -5.212 5.684 -4.369 446 HG21 ILE 61 1HG2 ILE 61 -7.121 3.237 -6.297 447 HG22 ILE 61 2HG2 ILE 61 -6.242 3.993 -7.648 448 HG23 ILE 61 3HG2 ILE 61 -5.742 2.395 -7.044 449 HD11 ILE 61 1HD1 ILE 61 -4.830 6.142 -7.079 450 HD12 ILE 61 2HD1 ILE 61 -6.524 6.636 -6.845 451 HD13 ILE 61 3HD1 ILE 61 -5.234 7.393 -5.879 452 H ALA 62 H ALA 62 -6.240 1.006 -3.928 453 HA ALA 62 HA ALA 62 -4.276 -0.896 -4.740 454 HB1 ALA 62 1HB ALA 62 -6.781 -2.155 -4.347 455 HB2 ALA 62 2HB ALA 62 -5.441 -2.021 -3.183 456 HB3 ALA 62 3HB ALA 62 -6.731 -0.795 -3.200 457 H ASP 63 H ASP 63 -4.055 -1.921 -6.684 458 HA ASP 63 HA ASP 63 -6.258 -1.549 -8.555 459 HB2 ASP 63 1HB ASP 63 -3.304 -1.651 -9.307 460 HB3 ASP 63 2HB ASP 63 -4.645 -1.266 -10.368 461 HA PRO 64 HA PRO 64 -5.296 -5.962 -8.182 462 HB2 PRO 64 1HB PRO 64 -7.872 -6.873 -8.222 463 HB3 PRO 64 2HB PRO 64 -7.012 -6.496 -6.742 464 HG2 PRO 64 1HG PRO 64 -9.135 -4.949 -8.098 465 HG3 PRO 64 2HG PRO 64 -8.573 -4.824 -6.443 466 HD2 PRO 64 1HD PRO 64 -7.959 -3.040 -8.604 467 HD3 PRO 64 2HD PRO 64 -7.306 -2.982 -6.979 468 H GLU 65 H GLU 65 -6.293 -3.977 -10.540 469 HA GLU 65 HA GLU 65 -7.168 -5.903 -12.396 470 HB2 GLU 65 1HB GLU 65 -6.590 -2.999 -12.355 471 HB3 GLU 65 2HB GLU 65 -6.251 -3.751 -13.901 472 HG2 GLU 65 1HG GLU 65 -8.758 -4.810 -12.930 473 HG3 GLU 65 2HG GLU 65 -8.814 -3.065 -12.776 474 H SER 66 H SER 66 -4.023 -4.258 -11.715 475 HA SER 66 HA SER 66 -2.776 -6.378 -13.268 476 HB2 SER 66 1HB SER 66 -2.726 -3.515 -13.820 477 HB3 SER 66 2HB SER 66 -1.103 -4.091 -13.497 478 HG SER 66 HG SER 66 -1.304 -4.517 -15.641 479 H ARG 67 H ARG 67 -3.295 -6.038 -10.361 480 HA ARG 67 HA ARG 67 -2.301 -6.002 -8.426 481 HB2 ARG 67 1HB ARG 67 0.002 -7.268 -9.996 482 HB3 ARG 67 2HB ARG 67 -0.221 -7.393 -8.263 483 HG2 ARG 67 1HG ARG 67 -2.253 -8.369 -10.325 484 HG3 ARG 67 2HG ARG 67 -1.067 -9.401 -9.552 485 HD2 ARG 67 1HD ARG 67 -2.148 -8.281 -7.320 486 HD3 ARG 67 2HD ARG 67 -3.532 -8.133 -8.386 487 HE ARG 67 HE ARG 67 -2.374 -10.628 -7.351 488 HH11 ARG 67 2HH2 ARG 67 -4.434 -9.185 -9.812 489 HH12 ARG 67 1HH2 ARG 67 -5.287 -10.656 -10.142 490 HH21 ARG 67 2HH1 ARG 67 -3.499 -12.569 -7.786 491 HH22 ARG 67 1HH1 ARG 67 -4.752 -12.594 -8.982 492 H THR 68 H THR 68 -2.149 -3.469 -9.201 493 HA THR 68 HA THR 68 0.591 -2.673 -8.517 494 HB THR 68 HB THR 68 0.107 -0.751 -10.263 495 HG1 THR 68 1HG THR 68 -1.576 -3.002 -11.113 496 HG21 THR 68 1HG2 THR 68 1.748 -2.012 -11.272 497 HG22 THR 68 2HG2 THR 68 1.047 -3.538 -10.682 498 HG23 THR 68 3HG2 THR 68 0.408 -2.777 -12.159 499 H VAL 69 H VAL 69 0.516 -0.116 -8.113 500 HA VAL 69 HA VAL 69 -1.965 0.709 -6.917 501 HB VAL 69 HB VAL 69 0.478 0.151 -5.224 502 HG11 VAL 69 1HG1 VAL 69 -0.506 1.248 -3.434 503 HG12 VAL 69 2HG1 VAL 69 -0.961 2.300 -4.796 504 HG13 VAL 69 3HG1 VAL 69 -2.141 1.145 -4.130 505 HG21 VAL 69 1HG2 VAL 69 -1.148 -1.317 -3.962 506 HG22 VAL 69 2HG2 VAL 69 -2.280 -1.103 -5.320 507 HG23 VAL 69 3HG2 VAL 69 -0.706 -1.890 -5.588 508 H ALA 70 H ALA 70 -2.103 2.953 -6.823 509 HA ALA 70 HA ALA 70 0.226 4.333 -7.936 510 HB1 ALA 70 1HB ALA 70 -1.260 5.732 -8.989 511 HB2 ALA 70 2HB ALA 70 -2.316 4.309 -8.825 512 HB3 ALA 70 3HB ALA 70 -2.445 5.651 -7.663 513 H VAL 71 H VAL 71 1.188 6.081 -6.872 514 HA VAL 71 HA VAL 71 0.115 6.640 -4.195 515 HB VAL 71 HB VAL 71 2.981 6.221 -5.059 516 HG11 VAL 71 1HG1 VAL 71 3.017 6.528 -2.316 517 HG12 VAL 71 2HG1 VAL 71 3.505 7.757 -3.507 518 HG13 VAL 71 3HG1 VAL 71 1.857 7.775 -2.835 519 HG21 VAL 71 1HG2 VAL 71 2.683 4.609 -2.948 520 HG22 VAL 71 2HG2 VAL 71 0.990 4.637 -3.496 521 HG23 VAL 71 3HG2 VAL 71 2.274 4.095 -4.603 522 H LYS 72 H LYS 72 -0.600 8.701 -4.127 523 HA LYS 72 HA LYS 72 0.860 10.650 -5.772 524 HB2 LYS 72 1HB LYS 72 -1.313 10.401 -6.699 525 HB3 LYS 72 2HB LYS 72 -2.082 10.413 -5.125 526 HG2 LYS 72 1HG LYS 72 -1.972 12.714 -4.928 527 HG3 LYS 72 2HG LYS 72 -0.420 12.819 -5.734 528 HD2 LYS 72 1HD LYS 72 -1.460 13.432 -7.650 529 HD3 LYS 72 2HD LYS 72 -2.278 11.883 -7.699 530 HE2 LYS 72 1HE LYS 72 -4.213 12.711 -6.621 531 HE3 LYS 72 2HE LYS 72 -3.355 14.041 -5.869 532 HZ1 LYS 72 1HZ LYS 72 -4.779 14.183 -8.145 533 HZ2 LYS 72 2HZ LYS 72 -3.694 15.295 -7.642 534 HZ3 LYS 72 3HZ LYS 72 -3.245 14.138 -8.704 535 H GLN 73 H GLN 73 2.022 12.104 -4.639 536 HA GLN 73 HA GLN 73 1.765 12.148 -1.824 537 HB2 GLN 73 1HB GLN 73 3.974 12.415 -2.644 538 HB3 GLN 73 2HB GLN 73 3.493 13.595 -3.846 539 HG2 GLN 73 1HG GLN 73 3.186 15.320 -2.200 540 HG3 GLN 73 2HG GLN 73 3.181 14.172 -0.876 541 HE21 GLN 73 1HE2 GLN 73 4.848 16.566 -1.576 542 HE22 GLN 73 2HE2 GLN 73 6.497 16.050 -1.452 543 H LEU 74 H LEU 74 0.440 13.425 -0.604 544 HA LEU 74 HA LEU 74 -0.615 15.837 -1.908 545 HB2 LEU 74 1HB LEU 74 -2.158 14.400 0.202 546 HB3 LEU 74 2HB LEU 74 -2.722 15.446 -1.086 547 HG LEU 74 HG LEU 74 -1.476 12.923 -1.997 548 HD11 LEU 74 1HD1 LEU 74 -3.468 12.865 0.100 549 HD12 LEU 74 2HD1 LEU 74 -4.088 12.117 -1.392 550 HD13 LEU 74 3HD1 LEU 74 -2.574 11.529 -0.664 551 HD21 LEU 74 1HD2 LEU 74 -2.453 14.310 -3.644 552 HD22 LEU 74 2HD2 LEU 74 -3.567 12.938 -3.428 553 HD23 LEU 74 3HD2 LEU 74 -3.947 14.517 -2.698 554 H GLY 75 H GLY 75 1.572 14.731 0.302 555 HA2 GLY 75 1HA GLY 75 0.924 16.641 2.418 556 HA3 GLY 75 2HA GLY 75 2.186 15.425 2.426 557 H VAL 76 H VAL 76 3.977 16.722 2.892 558 HA VAL 76 HA VAL 76 4.585 18.739 0.843 559 HB VAL 76 HB VAL 76 4.128 20.043 2.685 560 HG11 VAL 76 1HG1 VAL 76 3.791 18.112 4.242 561 HG12 VAL 76 2HG1 VAL 76 5.550 18.086 4.518 562 HG13 VAL 76 3HG1 VAL 76 4.596 19.513 4.989 563 HG21 VAL 76 1HG2 VAL 76 6.300 20.803 3.620 564 HG22 VAL 76 2HG2 VAL 76 7.079 19.365 2.916 565 HG23 VAL 76 3HG2 VAL 76 6.343 20.589 1.853 566 H ASN 77 H ASN 77 5.953 16.555 3.401 567 HA ASN 77 HA ASN 77 8.535 16.652 2.477 568 HB2 ASN 77 1HB ASN 77 6.946 14.523 3.977 569 HB3 ASN 77 2HB ASN 77 8.640 14.276 3.602 570 HD21 ASN 77 1HD2 ASN 77 6.362 15.756 5.641 571 HD22 ASN 77 2HD2 ASN 77 7.430 16.663 6.659 572 HA PRO 78 HA PRO 78 8.212 14.146 -1.118 573 HB2 PRO 78 1HB PRO 78 10.855 13.630 -1.582 574 HB3 PRO 78 2HB PRO 78 10.072 15.123 -2.060 575 HG2 PRO 78 1HG PRO 78 11.930 14.643 0.189 576 HG3 PRO 78 2HG PRO 78 11.479 16.163 -0.557 577 HD2 PRO 78 1HD PRO 78 10.538 15.137 1.951 578 HD3 PRO 78 2HD PRO 78 10.002 16.600 1.149 579 H SER 79 H SER 79 7.376 12.175 -1.311 580 HA SER 79 HA SER 79 8.395 10.258 0.580 581 HB2 SER 79 1HB SER 79 5.954 10.478 -1.172 582 HB3 SER 79 2HB SER 79 6.454 8.879 -0.661 583 HG SER 79 HG SER 79 4.997 9.698 0.888 584 H THR 80 H THR 80 8.870 7.972 -0.192 585 HA THR 80 HA THR 80 10.004 8.021 -2.913 586 HB THR 80 HB THR 80 11.105 6.852 -0.306 587 HG1 THR 80 1HG THR 80 11.873 8.939 -0.477 588 HG21 THR 80 1HG2 THR 80 12.361 6.816 -3.096 589 HG22 THR 80 2HG2 THR 80 13.017 6.086 -1.611 590 HG23 THR 80 3HG2 THR 80 11.564 5.397 -2.374 591 H VAL 81 H VAL 81 8.973 6.701 -4.261 592 HA VAL 81 HA VAL 81 7.468 4.497 -3.088 593 HB VAL 81 HB VAL 81 7.425 5.952 -5.722 594 HG11 VAL 81 1HG1 VAL 81 5.362 4.188 -5.961 595 HG12 VAL 81 2HG1 VAL 81 6.967 3.966 -6.699 596 HG13 VAL 81 3HG1 VAL 81 6.581 3.173 -5.153 597 HG21 VAL 81 1HG2 VAL 81 6.189 6.727 -3.584 598 HG22 VAL 81 2HG2 VAL 81 5.275 6.649 -5.110 599 HG23 VAL 81 3HG2 VAL 81 5.095 5.358 -3.897 600 H GLY 82 H GLY 82 9.404 3.239 -2.546 601 HA2 GLY 82 1HA GLY 82 10.360 1.207 -3.208 602 HA3 GLY 82 2HA GLY 82 10.327 1.720 -4.883 603 H VAL 83 H VAL 83 12.041 2.942 -5.761 604 HA VAL 83 HA VAL 83 14.180 3.631 -3.876 605 HB VAL 83 HB VAL 83 14.581 1.456 -5.042 606 HG11 VAL 83 1HG1 VAL 83 14.229 1.240 -7.232 607 HG12 VAL 83 2HG1 VAL 83 13.761 2.955 -7.325 608 HG13 VAL 83 3HG1 VAL 83 15.460 2.482 -7.566 609 HG21 VAL 83 1HG2 VAL 83 16.861 2.533 -6.126 610 HG22 VAL 83 2HG2 VAL 83 16.352 3.811 -4.996 611 HG23 VAL 83 3HG2 VAL 83 16.624 2.154 -4.403 612 H GLN 84 H GLN 84 11.869 5.033 -5.409 613 HA GLN 84 HA GLN 84 13.627 6.983 -6.680 614 HB2 GLN 84 1HB GLN 84 12.439 5.965 -8.490 615 HB3 GLN 84 2HB GLN 84 10.930 5.936 -7.601 616 HG2 GLN 84 1HG GLN 84 10.525 8.227 -7.920 617 HG3 GLN 84 2HG GLN 84 12.226 8.617 -8.089 618 HE21 GLN 84 1HE2 GLN 84 9.771 9.099 -9.755 619 HE22 GLN 84 2HE2 GLN 84 10.176 8.577 -11.356 620 H GLU 85 H GLU 85 13.224 9.177 -6.195 621 HA GLU 85 HA GLU 85 11.545 9.531 -3.893 622 HB2 GLU 85 1HB GLU 85 13.710 10.544 -3.725 623 HB3 GLU 85 2HB GLU 85 13.588 11.272 -5.315 624 HG2 GLU 85 1HG GLU 85 11.633 12.662 -4.450 625 HG3 GLU 85 2HG GLU 85 11.948 12.020 -2.850 626 H LEU 86 H LEU 86 9.613 10.686 -3.832 627 HA LEU 86 HA LEU 86 8.564 11.445 -6.443 628 HB2 LEU 86 1HB LEU 86 7.362 10.700 -3.802 629 HB3 LEU 86 2HB LEU 86 6.427 11.637 -4.951 630 HG LEU 86 HG LEU 86 7.478 8.826 -5.228 631 HD11 LEU 86 1HD1 LEU 86 5.395 8.588 -4.365 632 HD12 LEU 86 2HD1 LEU 86 4.822 10.145 -5.009 633 HD13 LEU 86 3HD1 LEU 86 4.944 8.730 -6.081 634 HD21 LEU 86 1HD2 LEU 86 8.114 9.705 -7.312 635 HD22 LEU 86 2HD2 LEU 86 6.533 8.937 -7.597 636 HD23 LEU 86 3HD2 LEU 86 6.648 10.707 -7.438 637 H LYS 87 H LYS 87 6.688 13.362 -5.797 638 HA LYS 87 HA LYS 87 8.106 15.445 -4.349 639 HB2 LYS 87 1HB LYS 87 7.992 15.285 -7.249 640 HB3 LYS 87 2HB LYS 87 7.199 16.736 -6.670 641 HG2 LYS 87 1HG LYS 87 9.162 17.487 -5.507 642 HG3 LYS 87 2HG LYS 87 9.922 15.910 -5.595 643 HD2 LYS 87 1HD LYS 87 11.036 16.829 -7.380 644 HD3 LYS 87 2HD LYS 87 9.590 16.384 -8.263 645 HE2 LYS 87 1HE LYS 87 8.922 18.565 -8.525 646 HE3 LYS 87 2HE LYS 87 9.352 18.999 -6.883 647 HZ1 LYS 87 1HZ LYS 87 11.552 18.431 -8.652 648 HZ2 LYS 87 2HZ LYS 87 10.712 19.793 -8.977 649 HZ3 LYS 87 3HZ LYS 87 11.404 19.591 -7.511 650 HA PRO 88 HA PRO 88 4.090 16.685 -3.344 651 HB2 PRO 88 1HB PRO 88 4.102 19.417 -3.419 652 HB3 PRO 88 2HB PRO 88 4.792 18.492 -2.101 653 HG2 PRO 88 1HG PRO 88 6.178 19.932 -4.279 654 HG3 PRO 88 2HG PRO 88 6.823 19.375 -2.748 655 HD2 PRO 88 1HD PRO 88 7.212 18.161 -5.317 656 HD3 PRO 88 2HD PRO 88 7.758 17.541 -3.771 657 H GLY 89 H GLY 89 2.360 16.068 -4.467 658 HA2 GLY 89 1HA GLY 89 0.587 16.654 -5.849 659 HA3 GLY 89 2HA GLY 89 1.582 17.853 -6.651 660 H LEU 90 H LEU 90 3.481 15.075 -6.252 661 HA LEU 90 HA LEU 90 3.142 14.423 -9.048 662 HB2 LEU 90 1HB LEU 90 5.325 14.709 -7.540 663 HB3 LEU 90 2HB LEU 90 5.065 12.995 -7.284 664 HG LEU 90 HG LEU 90 5.356 12.481 -9.571 665 HD11 LEU 90 1HD1 LEU 90 4.741 15.367 -10.007 666 HD12 LEU 90 2HD1 LEU 90 5.823 14.556 -11.165 667 HD13 LEU 90 3HD1 LEU 90 4.183 13.924 -10.887 668 HD21 LEU 90 1HD2 LEU 90 7.574 12.799 -9.672 669 HD22 LEU 90 2HD2 LEU 90 7.433 14.571 -9.574 670 HD23 LEU 90 3HD2 LEU 90 7.361 13.588 -8.091 671 H SER 91 H SER 91 3.549 11.807 -9.362 672 HA SER 91 HA SER 91 2.032 10.295 -7.499 673 HB2 SER 91 1HB SER 91 0.724 9.866 -10.056 674 HB3 SER 91 2HB SER 91 0.008 10.258 -8.506 675 HG SER 91 HG SER 91 0.143 12.446 -8.935 676 H GLY 92 H GLY 92 2.691 8.140 -7.609 677 HA2 GLY 92 1HA GLY 92 4.125 7.308 -10.055 678 HA3 GLY 92 2HA GLY 92 4.813 7.070 -8.461 679 H SER 93 H SER 93 4.760 4.730 -9.305 680 HA SER 93 HA SER 93 2.186 3.605 -8.533 681 HB2 SER 93 1HB SER 93 2.224 2.029 -10.303 682 HB3 SER 93 2HB SER 93 2.693 3.537 -11.063 683 HG SER 93 HG SER 93 4.238 1.213 -10.535 684 H LEU 94 H LEU 94 2.334 1.451 -7.513 685 HA LEU 94 HA LEU 94 5.056 0.821 -6.611 686 HB2 LEU 94 1HB LEU 94 2.823 1.717 -5.065 687 HB3 LEU 94 2HB LEU 94 3.172 0.056 -4.630 688 HG LEU 94 HG LEU 94 5.662 1.445 -4.745 689 HD11 LEU 94 1HD1 LEU 94 3.722 2.860 -2.909 690 HD12 LEU 94 2HD1 LEU 94 5.418 3.271 -3.262 691 HD13 LEU 94 3HD1 LEU 94 4.172 3.480 -4.516 692 HD21 LEU 94 1HD2 LEU 94 5.341 -0.482 -3.378 693 HD22 LEU 94 2HD2 LEU 94 5.677 0.891 -2.297 694 HD23 LEU 94 3HD2 LEU 94 4.011 0.293 -2.485 695 H SER 95 H SER 95 5.660 -1.138 -7.343 696 HA SER 95 HA SER 95 3.592 -2.919 -8.230 697 HB2 SER 95 1HB SER 95 6.579 -3.465 -8.289 698 HB3 SER 95 2HB SER 95 5.340 -4.134 -9.332 699 HG SER 95 HG SER 95 5.002 -1.918 -10.165 700 H LEU 96 H LEU 96 3.482 -5.202 -7.520 701 HA LEU 96 HA LEU 96 3.392 -5.534 -4.821 702 HB2 LEU 96 1HB LEU 96 3.099 -7.134 -7.176 703 HB3 LEU 96 2HB LEU 96 3.994 -8.052 -5.982 704 HG LEU 96 HG LEU 96 1.293 -6.750 -5.534 705 HD11 LEU 96 1HD1 LEU 96 0.750 -8.517 -6.891 706 HD12 LEU 96 2HD1 LEU 96 2.124 -9.508 -6.346 707 HD13 LEU 96 3HD1 LEU 96 0.703 -9.302 -5.295 708 HD21 LEU 96 1HD2 LEU 96 1.262 -7.602 -3.373 709 HD22 LEU 96 2HD2 LEU 96 2.585 -8.748 -3.693 710 HD23 LEU 96 3HD2 LEU 96 2.931 -7.008 -3.549 711 H GLY 97 H GLY 97 4.978 -5.228 -3.352 712 HA2 GLY 97 1HA GLY 97 6.884 -6.348 -2.359 713 HA3 GLY 97 2HA GLY 97 7.609 -6.441 -3.952 714 H ASP 98 H ASP 98 6.570 -3.662 -4.676 715 HA ASP 98 HA ASP 98 8.839 -2.272 -4.043 716 HB2 ASP 98 1HB ASP 98 6.069 -1.507 -4.981 717 HB3 ASP 98 2HB ASP 98 7.179 -0.225 -4.541 718 H VAL 99 H VAL 99 9.165 -0.428 -2.538 719 HA VAL 99 HA VAL 99 7.483 -0.682 -0.157 720 HB VAL 99 HB VAL 99 10.239 0.502 -0.546 721 HG11 VAL 99 1HG1 VAL 99 9.260 1.621 1.299 722 HG12 VAL 99 2HG1 VAL 99 8.509 0.128 1.910 723 HG13 VAL 99 3HG1 VAL 99 10.274 0.337 1.999 724 HG21 VAL 99 1HG2 VAL 99 9.302 -2.189 0.478 725 HG22 VAL 99 2HG2 VAL 99 10.440 -1.842 -0.845 726 HG23 VAL 99 3HG2 VAL 99 10.914 -1.528 0.842 727 H LEU 100 H LEU 100 7.050 1.396 1.065 728 HA LEU 100 HA LEU 100 6.965 3.727 -0.679 729 HB2 LEU 100 1HB LEU 100 4.866 2.702 -1.134 730 HB3 LEU 100 2HB LEU 100 4.560 2.403 0.565 731 HG LEU 100 HG LEU 100 4.276 4.775 0.994 732 HD11 LEU 100 1HD1 LEU 100 4.630 5.351 -1.947 733 HD12 LEU 100 2HD1 LEU 100 4.544 6.492 -0.583 734 HD13 LEU 100 3HD1 LEU 100 5.977 5.457 -0.788 735 HD21 LEU 100 1HD2 LEU 100 2.320 5.192 -0.658 736 HD22 LEU 100 2HD2 LEU 100 2.681 3.549 -1.240 737 HD23 LEU 100 3HD2 LEU 100 2.236 3.812 0.463 738 H TYR 101 H TYR 101 8.672 4.506 0.692 739 HA TYR 101 HA TYR 101 8.510 4.554 3.474 740 HB2 TYR 101 1HB TYR 101 9.768 6.422 1.368 741 HB3 TYR 101 2HB TYR 101 10.202 6.468 3.065 742 HD1 TYR 101 2HD TYR 101 11.267 4.391 4.111 743 HD2 TYR 101 1HD TYR 101 10.800 4.886 -0.114 744 HE1 TYR 101 2HE TYR 101 13.039 2.615 3.699 745 HE2 TYR 101 1HE TYR 101 12.573 3.108 -0.510 746 HH TYR 101 HH TYR 101 13.765 1.519 0.421 747 H LEU 102 H LEU 102 6.626 5.300 4.429 748 HA LEU 102 HA LEU 102 4.905 7.166 3.627 749 HB2 LEU 102 1HB LEU 102 5.539 5.862 6.025 750 HB3 LEU 102 2HB LEU 102 5.469 7.564 6.436 751 HG LEU 102 HG LEU 102 3.213 6.809 4.765 752 HD11 LEU 102 1HD1 LEU 102 2.184 5.523 6.844 753 HD12 LEU 102 2HD1 LEU 102 3.059 4.673 5.548 754 HD13 LEU 102 3HD1 LEU 102 3.883 5.049 7.080 755 HD21 LEU 102 1HD2 LEU 102 3.130 8.836 5.972 756 HD22 LEU 102 2HD2 LEU 102 1.975 7.744 6.773 757 HD23 LEU 102 3HD2 LEU 102 3.572 8.040 7.501 758 H VAL 103 H VAL 103 7.849 7.936 5.620 759 HA VAL 103 HA VAL 103 8.331 10.281 4.090 760 HB VAL 103 HB VAL 103 6.390 10.968 5.498 761 HG11 VAL 103 1HG1 VAL 103 8.349 10.467 7.760 762 HG12 VAL 103 2HG1 VAL 103 6.860 11.429 7.921 763 HG13 VAL 103 3HG1 VAL 103 6.763 9.701 7.506 764 HG21 VAL 103 1HG2 VAL 103 8.697 12.590 6.481 765 HG22 VAL 103 2HG2 VAL 103 8.498 12.415 4.721 766 HG23 VAL 103 3HG2 VAL 103 7.182 13.104 5.701 767 H ASN 104 H ASN 104 10.171 11.607 5.321 768 HA ASN 104 HA ASN 104 12.291 11.480 5.830 769 HB2 ASN 104 1HB ASN 104 10.727 10.758 8.115 770 HB3 ASN 104 2HB ASN 104 12.116 9.691 8.144 771 HD21 ASN 104 1HD2 ASN 104 10.941 12.904 8.478 772 HD22 ASN 104 2HD2 ASN 104 12.411 13.683 8.960 773 H GLY 105 H GLY 105 11.449 9.408 3.955 774 HA2 GLY 105 1HA GLY 105 12.041 7.410 3.094 775 HA3 GLY 105 2HA GLY 105 13.627 7.790 3.736 776 H LEU 106 H LEU 106 10.934 7.492 6.003 777 HA LEU 106 HA LEU 106 11.958 4.843 6.758 778 HB2 LEU 106 1HB LEU 106 11.186 7.206 8.452 779 HB3 LEU 106 2HB LEU 106 11.178 5.576 9.095 780 HG LEU 106 HG LEU 106 13.571 7.050 7.961 781 HD11 LEU 106 1HD1 LEU 106 14.405 7.145 10.195 782 HD12 LEU 106 2HD1 LEU 106 12.739 7.773 10.214 783 HD13 LEU 106 3HD1 LEU 106 13.076 6.127 10.801 784 HD21 LEU 106 1HD2 LEU 106 14.758 4.976 9.033 785 HD22 LEU 106 2HD2 LEU 106 13.187 4.185 8.758 786 HD23 LEU 106 3HD2 LEU 106 14.085 4.881 7.388 787 H TYR 107 H TYR 107 10.028 4.118 8.607 788 HA TYR 107 HA TYR 107 8.101 2.984 8.551 789 HB2 TYR 107 1HB TYR 107 6.895 5.535 7.388 790 HB3 TYR 107 2HB TYR 107 6.270 4.556 8.700 791 HD1 TYR 107 1HD TYR 107 8.222 4.391 10.718 792 HD2 TYR 107 2HD TYR 107 7.509 7.661 8.053 793 HE1 TYR 107 1HE TYR 107 9.257 5.994 12.398 794 HE2 TYR 107 2HE TYR 107 8.546 9.254 9.742 795 HH TYR 107 HH TYR 107 8.982 9.396 12.046 796 HA PRO 108 HA PRO 108 7.954 2.505 3.999 797 HB2 PRO 108 1HB PRO 108 9.261 0.116 3.763 798 HB3 PRO 108 2HB PRO 108 10.046 1.665 3.530 799 HG2 PRO 108 1HG PRO 108 10.235 -0.182 5.831 800 HG3 PRO 108 2HG PRO 108 11.307 1.131 5.386 801 HD2 PRO 108 1HD PRO 108 9.339 1.154 7.473 802 HD3 PRO 108 2HD PRO 108 10.330 2.502 6.952 803 H LEU 109 H LEU 109 6.227 1.660 2.962 804 HA LEU 109 HA LEU 109 4.907 -0.467 4.501 805 HB2 LEU 109 1HB LEU 109 3.810 1.894 3.001 806 HB3 LEU 109 2HB LEU 109 2.830 0.471 3.291 807 HG LEU 109 HG LEU 109 2.332 2.106 4.968 808 HD11 LEU 109 1HD1 LEU 109 2.423 0.774 6.849 809 HD12 LEU 109 2HD1 LEU 109 2.684 -0.415 5.550 810 HD13 LEU 109 3HD1 LEU 109 4.067 0.190 6.493 811 HD21 LEU 109 1HD2 LEU 109 4.478 3.365 4.760 812 HD22 LEU 109 2HD2 LEU 109 3.936 3.113 6.436 813 HD23 LEU 109 3HD2 LEU 109 5.253 2.120 5.768 814 H THR 110 H THR 110 5.777 -2.267 3.476 815 HA THR 110 HA THR 110 6.118 -2.382 0.664 816 HB THR 110 HB THR 110 5.944 -4.609 2.762 817 HG1 THR 110 1HG THR 110 7.873 -3.706 3.362 818 HG21 THR 110 1HG2 THR 110 6.047 -5.564 0.508 819 HG22 THR 110 2HG2 THR 110 7.279 -4.377 0.017 820 HG23 THR 110 3HG2 THR 110 7.685 -5.642 1.201 821 H LEU 111 H LEU 111 4.847 -3.131 -0.972 822 HA LEU 111 HA LEU 111 2.048 -3.386 -0.310 823 HB2 LEU 111 1HB LEU 111 2.435 -1.991 -2.122 824 HB3 LEU 111 2HB LEU 111 3.649 -3.046 -2.819 825 HG LEU 111 HG LEU 111 1.891 -4.672 -3.430 826 HD11 LEU 111 1HD1 LEU 111 -0.429 -3.009 -3.192 827 HD12 LEU 111 2HD1 LEU 111 -0.133 -4.634 -2.528 828 HD13 LEU 111 3HD1 LEU 111 0.324 -3.192 -1.589 829 HD21 LEU 111 1HD2 LEU 111 0.750 -3.198 -5.160 830 HD22 LEU 111 2HD2 LEU 111 1.637 -1.835 -4.436 831 HD23 LEU 111 3HD2 LEU 111 2.530 -3.197 -5.154 832 H ARG 112 H ARG 112 0.876 -5.258 -0.257 833 HA ARG 112 HA ARG 112 2.238 -7.619 -1.258 834 HB2 ARG 112 1HB ARG 112 0.783 -7.339 1.419 835 HB3 ARG 112 2HB ARG 112 1.269 -8.881 0.743 836 HG2 ARG 112 1HG ARG 112 3.230 -6.598 1.252 837 HG3 ARG 112 2HG ARG 112 2.900 -7.852 2.430 838 HD2 ARG 112 1HD ARG 112 3.695 -9.596 0.885 839 HD3 ARG 112 2HD ARG 112 3.862 -8.430 -0.413 840 HE ARG 112 HE ARG 112 5.437 -7.389 1.641 841 HH11 ARG 112 2HH2 ARG 112 5.328 -10.435 -0.119 842 HH12 ARG 112 1HH2 ARG 112 7.024 -10.742 0.052 843 HH21 ARG 112 2HH1 ARG 112 7.675 -7.794 1.868 844 HH22 ARG 112 1HH1 ARG 112 8.368 -9.229 1.190 845 H TRP 113 H TRP 113 0.580 -9.538 -1.446 846 HA TRP 113 HA TRP 113 -2.072 -8.454 -2.105 847 HB2 TRP 113 1HB TRP 113 -1.009 -8.718 -4.191 848 HB3 TRP 113 2HB TRP 113 -0.293 -10.251 -3.738 849 HD1 TRP 113 HD TRP 113 -2.092 -12.400 -3.582 850 HE1 TRP 113 1HE TRP 113 -4.305 -12.958 -4.907 851 HE3 TRP 113 3HE TRP 113 -2.924 -7.662 -5.229 852 HZ2 TRP 113 2HZ TRP 113 -6.115 -11.389 -6.460 853 HZ3 TRP 113 3HZ TRP 113 -4.936 -7.260 -6.644 854 HH2 TRP 113 HH TRP 113 -6.503 -9.031 -7.263 855 H SER 114 H SER 114 -3.828 -9.879 -1.617 856 HA SER 114 HA SER 114 -3.095 -11.860 0.336 857 HB2 SER 114 1HB SER 114 -4.905 -10.194 0.797 858 HB3 SER 114 2HB SER 114 -5.839 -10.848 -0.535 859 HG SER 114 HG SER 114 -6.261 -12.702 0.590 860 H GLY 115 H GLY 115 -3.368 -14.093 0.071 861 HA2 GLY 115 1HA GLY 115 -5.065 -15.396 -1.651 862 HA3 GLY 115 2HA GLY 115 -3.630 -15.069 -2.602 863 HA PRO 116 HA PRO 116 -2.845 -18.852 -0.187 864 HB2 PRO 116 1HB PRO 116 -2.386 -20.560 -2.271 865 HB3 PRO 116 2HB PRO 116 -3.944 -20.404 -1.486 866 HG2 PRO 116 1HG PRO 116 -3.084 -19.370 -4.118 867 HG3 PRO 116 2HG PRO 116 -4.711 -19.599 -3.507 868 HD2 PRO 116 1HD PRO 116 -3.297 -17.113 -3.734 869 HD3 PRO 116 2HD PRO 116 -4.877 -17.358 -3.017 870 H SER 117 H SER 117 -1.005 -18.106 0.774 871 HA SER 117 HA SER 117 1.339 -19.062 -0.369 872 HB2 SER 117 1HB SER 117 1.076 -17.129 -1.902 873 HB3 SER 117 2HB SER 117 0.972 -16.038 -0.535 874 HG SER 117 HG SER 117 3.109 -16.058 -0.322 875 H SER 118 H SER 118 3.323 -18.246 0.990 876 HA SER 118 HA SER 118 4.267 -17.943 2.920 877 HB2 SER 118 1HB SER 118 1.864 -16.145 3.257 878 HB3 SER 118 2HB SER 118 2.899 -16.433 4.642 879 HG SER 118 HG SER 118 3.922 -15.567 2.079 880 H GLY 119 H GLY 119 4.266 -18.721 5.207 881 HA2 GLY 119 1HA GLY 119 2.510 -19.647 6.858 882 HA3 GLY 119 2HA GLY 119 2.228 -20.809 5.577 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -7.371 -11.911 14.881 2 HA2 GLY 1 1HA GLY 1 -6.550 -11.284 12.109 3 HA3 GLY 1 2HA GLY 1 -8.226 -11.271 12.620 4 H SER 2 H SER 2 -8.328 -8.984 12.006 5 HA SER 2 HA SER 2 -7.983 -7.318 14.186 6 HB2 SER 2 1HB SER 2 -5.574 -7.424 13.593 7 HB3 SER 2 2HB SER 2 -5.937 -6.900 11.961 8 HG SER 2 HG SER 2 -5.679 -4.919 12.726 9 H SER 3 H SER 3 -7.684 -7.184 10.555 10 HA SER 3 HA SER 3 -9.587 -5.034 10.532 11 HB2 SER 3 1HB SER 3 -9.010 -4.769 8.218 12 HB3 SER 3 2HB SER 3 -7.512 -5.111 9.061 13 HG SER 3 HG SER 3 -9.109 -7.003 7.555 14 H GLY 4 H GLY 4 -11.446 -5.166 8.850 15 HA2 GLY 4 1HA GLY 4 -13.261 -7.098 9.494 16 HA3 GLY 4 2HA GLY 4 -13.267 -6.183 8.000 17 H SER 5 H SER 5 -13.602 -9.226 9.004 18 HA SER 5 HA SER 5 -12.060 -10.270 6.759 19 HB2 SER 5 1HB SER 5 -11.797 -12.388 8.010 20 HB3 SER 5 2HB SER 5 -11.085 -11.047 8.884 21 HG SER 5 HG SER 5 -13.809 -11.756 9.423 22 H SER 6 H SER 6 -13.302 -11.259 5.195 23 HA SER 6 HA SER 6 -16.032 -11.910 5.990 24 HB2 SER 6 1HB SER 6 -16.009 -10.106 4.361 25 HB3 SER 6 2HB SER 6 -14.897 -10.976 3.322 26 HG SER 6 HG SER 6 -16.772 -11.502 2.357 27 H GLY 7 H GLY 7 -13.452 -12.786 3.569 28 HA2 GLY 7 1HA GLY 7 -12.820 -14.765 2.716 29 HA3 GLY 7 2HA GLY 7 -13.300 -15.477 4.244 30 H MET 8 H MET 8 -13.601 -16.909 1.841 31 HA MET 8 HA MET 8 -16.413 -17.346 1.938 32 HB2 MET 8 1HB MET 8 -15.454 -15.575 -0.028 33 HB3 MET 8 2HB MET 8 -15.509 -17.101 -0.888 34 HG2 MET 8 1HG MET 8 -17.922 -17.354 0.095 35 HG3 MET 8 2HG MET 8 -17.804 -15.651 0.492 36 HE1 MET 8 1HE MET 8 -19.882 -15.773 -0.667 37 HE2 MET 8 2HE MET 8 -19.907 -14.865 -2.198 38 HE3 MET 8 3HE MET 8 -20.110 -16.633 -2.208 39 H SER 9 H SER 9 -13.428 -17.986 -0.043 40 HA SER 9 HA SER 9 -13.095 -20.546 0.787 41 HB2 SER 9 1HB SER 9 -15.400 -20.438 -0.827 42 HB3 SER 9 2HB SER 9 -14.159 -21.040 -1.907 43 HG SER 9 HG SER 9 -14.171 -22.919 -0.882 44 H GLN 10 H GLN 10 -11.205 -21.456 -0.204 45 HA GLN 10 HA GLN 10 -9.455 -19.730 -1.304 46 HB2 GLN 10 1HB GLN 10 -9.685 -22.740 -1.343 47 HB3 GLN 10 2HB GLN 10 -8.406 -21.983 -2.271 48 HG2 GLN 10 1HG GLN 10 -7.936 -20.633 -0.040 49 HG3 GLN 10 2HG GLN 10 -8.860 -21.909 0.727 50 HE21 GLN 10 1HE2 GLN 10 -7.146 -22.726 1.852 51 HE22 GLN 10 2HE2 GLN 10 -5.837 -23.602 1.130 52 H LEU 11 H LEU 11 -10.030 -22.493 -3.454 53 HA LEU 11 HA LEU 11 -9.684 -21.224 -5.784 54 HB2 LEU 11 1HB LEU 11 -11.636 -23.460 -5.221 55 HB3 LEU 11 2HB LEU 11 -11.057 -23.004 -6.811 56 HG LEU 11 HG LEU 11 -9.217 -23.904 -4.582 57 HD11 LEU 11 1HD1 LEU 11 -9.512 -25.884 -6.635 58 HD12 LEU 11 2HD1 LEU 11 -9.805 -26.019 -4.885 59 HD13 LEU 11 3HD1 LEU 11 -11.113 -25.485 -5.967 60 HD21 LEU 11 1HD2 LEU 11 -7.586 -24.233 -6.329 61 HD22 LEU 11 2HD2 LEU 11 -8.773 -23.783 -7.577 62 HD23 LEU 11 3HD2 LEU 11 -8.206 -22.567 -6.408 63 H GLY 12 H GLY 12 -10.598 -19.541 -6.825 64 HA2 GLY 12 1HA GLY 12 -12.643 -18.706 -7.822 65 HA3 GLY 12 2HA GLY 12 -13.464 -19.024 -6.307 66 H SER 13 H SER 13 -12.651 -17.819 -4.315 67 HA SER 13 HA SER 13 -12.844 -15.196 -4.577 68 HB2 SER 13 1HB SER 13 -11.847 -14.975 -2.373 69 HB3 SER 13 2HB SER 13 -12.744 -16.480 -2.422 70 HG SER 13 HG SER 13 -10.532 -16.583 -1.462 71 H ARG 14 H ARG 14 -11.556 -13.411 -5.122 72 HA ARG 14 HA ARG 14 -9.098 -14.090 -6.420 73 HB2 ARG 14 1HB ARG 14 -10.944 -11.714 -6.341 74 HB3 ARG 14 2HB ARG 14 -9.265 -11.385 -6.719 75 HG2 ARG 14 1HG ARG 14 -9.919 -13.666 -8.273 76 HG3 ARG 14 2HG ARG 14 -11.328 -12.630 -8.389 77 HD2 ARG 14 1HD ARG 14 -9.926 -10.732 -9.131 78 HD3 ARG 14 2HD ARG 14 -8.468 -11.674 -8.894 79 HE ARG 14 HE ARG 14 -8.909 -12.858 -10.885 80 HH11 ARG 14 2HH2 ARG 14 -11.710 -10.931 -9.980 81 HH12 ARG 14 1HH2 ARG 14 -12.527 -11.177 -11.488 82 HH21 ARG 14 2HH1 ARG 14 -9.985 -13.183 -12.875 83 HH22 ARG 14 1HH1 ARG 14 -11.538 -12.467 -13.146 84 H GLY 15 H GLY 15 -7.078 -12.754 -6.011 85 HA2 GLY 15 1HA GLY 15 -6.305 -12.806 -3.342 86 HA3 GLY 15 2HA GLY 15 -5.486 -11.960 -4.640 87 H ARG 16 H ARG 16 -5.307 -10.739 -2.242 88 HA ARG 16 HA ARG 16 -7.058 -8.475 -2.637 89 HB2 ARG 16 1HB ARG 16 -6.487 -9.612 0.142 90 HB3 ARG 16 2HB ARG 16 -7.568 -8.289 -0.247 91 HG2 ARG 16 1HG ARG 16 -7.999 -11.052 -1.442 92 HG3 ARG 16 2HG ARG 16 -8.596 -10.665 0.160 93 HD2 ARG 16 1HD ARG 16 -9.892 -8.745 -0.772 94 HD3 ARG 16 2HD ARG 16 -9.273 -9.092 -2.374 95 HE ARG 16 HE ARG 16 -10.739 -10.928 -2.539 96 HH11 ARG 16 2HH2 ARG 16 -10.648 -9.765 0.781 97 HH12 ARG 16 1HH2 ARG 16 -11.988 -10.737 1.293 98 HH21 ARG 16 2HH1 ARG 16 -12.507 -12.209 -1.865 99 HH22 ARG 16 1HH1 ARG 16 -13.052 -12.136 -0.222 100 H LEU 17 H LEU 17 -5.909 -6.543 -2.525 101 HA LEU 17 HA LEU 17 -3.092 -6.743 -1.982 102 HB2 LEU 17 1HB LEU 17 -4.890 -4.528 -2.955 103 HB3 LEU 17 2HB LEU 17 -3.185 -4.293 -2.629 104 HG LEU 17 HG LEU 17 -3.884 -6.548 -4.439 105 HD11 LEU 17 1HD1 LEU 17 -4.066 -3.674 -5.381 106 HD12 LEU 17 2HD1 LEU 17 -4.216 -5.143 -6.377 107 HD13 LEU 17 3HD1 LEU 17 -5.450 -4.770 -5.149 108 HD21 LEU 17 1HD2 LEU 17 -1.888 -5.612 -5.663 109 HD22 LEU 17 2HD2 LEU 17 -1.713 -4.445 -4.330 110 HD23 LEU 17 3HD2 LEU 17 -1.577 -6.190 -4.009 111 H TRP 18 H TRP 18 -1.943 -5.671 -0.322 112 HA TRP 18 HA TRP 18 -3.278 -4.039 1.571 113 HB2 TRP 18 1HB TRP 18 -2.952 -5.603 3.509 114 HB3 TRP 18 2HB TRP 18 -4.299 -5.953 2.444 115 HD1 TRP 18 HD TRP 18 -4.183 -8.274 1.059 116 HE1 TRP 18 1HE TRP 18 -2.710 -10.460 1.181 117 HE3 TRP 18 3HE TRP 18 -0.556 -6.295 4.023 118 HZ2 TRP 18 2HZ TRP 18 -0.248 -11.102 2.474 119 HZ3 TRP 18 3HZ TRP 18 1.348 -7.769 4.669 120 HH2 TRP 18 HH TRP 18 1.537 -10.095 3.944 121 H LEU 19 H LEU 19 -1.687 -3.320 3.259 122 HA LEU 19 HA LEU 19 1.016 -3.543 2.171 123 HB2 LEU 19 1HB LEU 19 -0.037 -1.558 4.184 124 HB3 LEU 19 2HB LEU 19 1.484 -1.497 3.315 125 HG LEU 19 HG LEU 19 -1.189 -1.382 1.907 126 HD11 LEU 19 1HD1 LEU 19 -0.856 1.085 1.812 127 HD12 LEU 19 2HD1 LEU 19 -1.197 0.462 3.444 128 HD13 LEU 19 3HD1 LEU 19 0.465 0.912 2.992 129 HD21 LEU 19 1HD2 LEU 19 0.542 -1.958 0.398 130 HD22 LEU 19 2HD2 LEU 19 0.226 -0.223 0.161 131 HD23 LEU 19 3HD2 LEU 19 1.651 -0.749 1.088 132 H GLN 20 H GLN 20 2.788 -4.173 3.458 133 HA GLN 20 HA GLN 20 1.953 -5.487 5.924 134 HB2 GLN 20 1HB GLN 20 2.922 -6.827 3.886 135 HB3 GLN 20 2HB GLN 20 4.472 -6.179 4.384 136 HG2 GLN 20 1HG GLN 20 4.455 -7.329 6.443 137 HG3 GLN 20 2HG GLN 20 2.708 -7.464 6.476 138 HE21 GLN 20 1HE2 GLN 20 4.784 -8.114 3.705 139 HE22 GLN 20 2HE2 GLN 20 4.497 -9.818 3.588 140 H SER 21 H SER 21 2.384 -4.047 7.573 141 HA SER 21 HA SER 21 4.547 -2.254 7.396 142 HB2 SER 21 1HB SER 21 3.725 -2.453 10.109 143 HB3 SER 21 2HB SER 21 3.263 -1.230 8.942 144 HG SER 21 HG SER 21 1.305 -2.084 8.820 145 HA PRO 22 HA PRO 22 7.632 -4.742 9.197 146 HB2 PRO 22 1HB PRO 22 9.367 -2.850 10.136 147 HB3 PRO 22 2HB PRO 22 9.304 -3.343 8.455 148 HG2 PRO 22 1HG PRO 22 8.294 -0.858 9.697 149 HG3 PRO 22 2HG PRO 22 8.625 -1.184 8.008 150 HD2 PRO 22 1HD PRO 22 6.049 -1.095 9.265 151 HD3 PRO 22 2HD PRO 22 6.389 -1.535 7.603 152 H THR 23 H THR 23 8.789 -5.421 11.172 153 HA THR 23 HA THR 23 7.100 -5.823 13.234 154 HB THR 23 HB THR 23 10.132 -5.394 13.230 155 HG1 THR 23 1HG THR 23 9.956 -7.420 12.352 156 HG21 THR 23 1HG2 THR 23 10.197 -6.727 15.265 157 HG22 THR 23 2HG2 THR 23 9.067 -5.387 15.575 158 HG23 THR 23 3HG2 THR 23 8.441 -7.010 15.200 159 H GLY 24 H GLY 24 6.886 -4.949 15.415 160 HA2 GLY 24 1HA GLY 24 6.371 -3.260 16.804 161 HA3 GLY 24 2HA GLY 24 7.820 -2.465 16.221 162 H GLY 25 H GLY 25 4.688 -3.341 14.592 163 HA2 GLY 25 1HA GLY 25 4.036 -0.513 14.305 164 HA3 GLY 25 2HA GLY 25 4.380 -1.390 12.827 165 HA PRO 26 HA PRO 26 -0.007 -2.082 13.903 166 HB2 PRO 26 1HB PRO 26 -1.156 -0.917 11.714 167 HB3 PRO 26 2HB PRO 26 -0.942 -0.085 13.242 168 HG2 PRO 26 1HG PRO 26 0.583 0.232 10.729 169 HG3 PRO 26 2HG PRO 26 0.489 1.318 12.101 170 HD2 PRO 26 1HD PRO 26 2.659 -0.441 11.450 171 HD3 PRO 26 2HD PRO 26 2.514 0.559 12.882 172 HA PRO 27 HA PRO 27 -0.575 -5.452 11.382 173 HB2 PRO 27 1HB PRO 27 -3.277 -5.687 11.040 174 HB3 PRO 27 2HB PRO 27 -2.448 -6.195 12.498 175 HG2 PRO 27 1HG PRO 27 -4.124 -3.801 12.058 176 HG3 PRO 27 2HG PRO 27 -3.648 -4.544 13.572 177 HD2 PRO 27 1HD PRO 27 -2.554 -2.160 12.411 178 HD3 PRO 27 2HD PRO 27 -2.000 -2.967 13.865 179 HA PRO 28 HA PRO 28 -0.951 -4.642 7.230 180 HB2 PRO 28 1HB PRO 28 -1.935 -6.930 6.104 181 HB3 PRO 28 2HB PRO 28 -0.258 -6.739 6.577 182 HG2 PRO 28 1HG PRO 28 -2.397 -8.278 7.917 183 HG3 PRO 28 2HG PRO 28 -0.661 -8.409 8.115 184 HD2 PRO 28 1HD PRO 28 -2.501 -7.138 9.910 185 HD3 PRO 28 2HD PRO 28 -0.755 -7.170 10.049 186 H ILE 29 H ILE 29 -2.191 -3.006 6.567 187 HA ILE 29 HA ILE 29 -5.039 -3.345 6.872 188 HB ILE 29 HB ILE 29 -3.321 -1.062 5.904 189 HG12 ILE 29 1HG1 ILE 29 -4.773 -0.412 8.239 190 HG13 ILE 29 2HG1 ILE 29 -4.102 -2.006 8.521 191 HG21 ILE 29 1HG2 ILE 29 -6.322 -1.272 6.201 192 HG22 ILE 29 2HG2 ILE 29 -5.449 0.278 6.166 193 HG23 ILE 29 3HG2 ILE 29 -5.381 -0.813 4.761 194 HD11 ILE 29 1HD1 ILE 29 -2.427 -0.431 9.233 195 HD12 ILE 29 2HD1 ILE 29 -1.853 -1.095 7.684 196 HD13 ILE 29 3HD1 ILE 29 -2.595 0.523 7.740 197 H PHE 30 H PHE 30 -6.571 -3.391 5.169 198 HA PHE 30 HA PHE 30 -5.392 -4.294 2.648 199 HB2 PHE 30 1HB PHE 30 -8.146 -4.556 3.993 200 HB3 PHE 30 2HB PHE 30 -7.822 -5.165 2.382 201 HD1 PHE 30 2HD PHE 30 -6.601 -5.462 5.890 202 HD2 PHE 30 1HD PHE 30 -7.063 -7.342 2.114 203 HE1 PHE 30 2HE PHE 30 -5.796 -7.627 6.870 204 HE2 PHE 30 1HE PHE 30 -6.258 -9.508 3.094 205 HZ PHE 30 HZ PHE 30 -5.634 -9.625 5.461 206 H LEU 31 H LEU 31 -5.218 -2.692 1.146 207 HA LEU 31 HA LEU 31 -6.654 -0.307 1.267 208 HB2 LEU 31 1HB LEU 31 -5.516 -1.397 -1.281 209 HB3 LEU 31 2HB LEU 31 -5.582 0.259 -0.712 210 HG LEU 31 HG LEU 31 -3.669 -1.931 0.035 211 HD11 LEU 31 1HD1 LEU 31 -2.075 0.069 -0.216 212 HD12 LEU 31 2HD1 LEU 31 -2.835 -0.589 -1.685 213 HD13 LEU 31 3HD1 LEU 31 -3.460 0.908 -0.954 214 HD21 LEU 31 1HD2 LEU 31 -2.880 -0.156 1.820 215 HD22 LEU 31 2HD2 LEU 31 -4.604 0.287 1.809 216 HD23 LEU 31 3HD2 LEU 31 -4.116 -1.377 2.210 217 HA PRO 32 HA PRO 32 -10.395 -1.252 -0.660 218 HB2 PRO 32 1HB PRO 32 -11.026 1.064 -1.968 219 HB3 PRO 32 2HB PRO 32 -11.252 0.845 -0.244 220 HG2 PRO 32 1HG PRO 32 -9.167 2.392 -1.657 221 HG3 PRO 32 2HG PRO 32 -9.666 2.498 0.020 222 HD2 PRO 32 1HD PRO 32 -7.302 1.225 -0.989 223 HD3 PRO 32 2HD PRO 32 -7.861 1.232 0.671 224 H SER 33 H SER 33 -10.935 -2.646 -2.209 225 HA SER 33 HA SER 33 -9.268 -2.598 -4.517 226 HB2 SER 33 1HB SER 33 -11.709 -4.357 -4.089 227 HB3 SER 33 2HB SER 33 -10.307 -4.692 -5.086 228 HG SER 33 HG SER 33 -10.330 -5.828 -2.992 229 H ASP 34 H ASP 34 -12.516 -1.548 -3.561 230 HA ASP 34 HA ASP 34 -13.866 -1.520 -5.869 231 HB2 ASP 34 1HB ASP 34 -14.614 -0.655 -3.598 232 HB3 ASP 34 2HB ASP 34 -13.720 0.819 -3.910 233 H GLY 35 H GLY 35 -11.030 0.383 -4.930 234 HA2 GLY 35 1HA GLY 35 -9.721 1.202 -6.835 235 HA3 GLY 35 2HA GLY 35 -11.201 1.890 -7.472 236 H GLN 36 H GLN 36 -11.754 2.303 -4.287 237 HA GLN 36 HA GLN 36 -11.465 4.980 -4.271 238 HB2 GLN 36 1HB GLN 36 -11.852 2.864 -2.247 239 HB3 GLN 36 2HB GLN 36 -11.100 4.303 -1.589 240 HG2 GLN 36 1HG GLN 36 -12.933 5.700 -2.603 241 HG3 GLN 36 2HG GLN 36 -13.696 4.239 -3.200 242 HE21 GLN 36 1HE2 GLN 36 -15.444 3.903 -2.056 243 HE22 GLN 36 2HE2 GLN 36 -15.582 3.908 -0.329 244 H ALA 37 H ALA 37 -9.999 6.174 -2.440 245 HA ALA 37 HA ALA 37 -7.244 5.239 -2.867 246 HB1 ALA 37 1HB ALA 37 -8.360 7.458 -4.041 247 HB2 ALA 37 2HB ALA 37 -7.681 8.152 -2.550 248 HB3 ALA 37 3HB ALA 37 -6.627 7.268 -3.680 249 H LEU 38 H LEU 38 -6.287 4.712 -0.972 250 HA LEU 38 HA LEU 38 -7.476 5.759 1.469 251 HB2 LEU 38 1HB LEU 38 -6.947 3.279 0.931 252 HB3 LEU 38 2HB LEU 38 -5.290 3.709 1.302 253 HG LEU 38 HG LEU 38 -5.881 4.332 3.562 254 HD11 LEU 38 1HD1 LEU 38 -8.319 3.774 4.293 255 HD12 LEU 38 2HD1 LEU 38 -7.961 5.337 3.520 256 HD13 LEU 38 3HD1 LEU 38 -8.700 4.024 2.572 257 HD21 LEU 38 1HD2 LEU 38 -6.586 1.652 2.500 258 HD22 LEU 38 2HD2 LEU 38 -5.384 2.132 3.722 259 HD23 LEU 38 3HD2 LEU 38 -7.104 2.014 4.164 260 H VAL 39 H VAL 39 -6.738 7.741 2.048 261 HA VAL 39 HA VAL 39 -4.102 8.573 1.318 262 HB VAL 39 HB VAL 39 -6.520 9.720 2.586 263 HG11 VAL 39 1HG1 VAL 39 -5.271 10.559 4.307 264 HG12 VAL 39 2HG1 VAL 39 -3.748 10.488 3.387 265 HG13 VAL 39 3HG1 VAL 39 -4.913 11.799 3.080 266 HG21 VAL 39 1HG2 VAL 39 -6.511 10.504 0.478 267 HG22 VAL 39 2HG2 VAL 39 -5.303 11.668 1.073 268 HG23 VAL 39 3HG2 VAL 39 -4.776 10.175 0.260 269 H LEU 40 H LEU 40 -2.254 8.195 2.423 270 HA LEU 40 HA LEU 40 -2.532 7.117 5.120 271 HB2 LEU 40 1HB LEU 40 -0.922 6.498 2.871 272 HB3 LEU 40 2HB LEU 40 0.153 7.096 4.119 273 HG LEU 40 HG LEU 40 -0.849 5.425 5.704 274 HD11 LEU 40 1HD1 LEU 40 -1.981 3.448 4.465 275 HD12 LEU 40 2HD1 LEU 40 -2.950 4.880 4.890 276 HD13 LEU 40 3HD1 LEU 40 -2.366 4.663 3.223 277 HD21 LEU 40 1HD2 LEU 40 0.812 4.023 5.191 278 HD22 LEU 40 2HD2 LEU 40 0.155 3.683 3.572 279 HD23 LEU 40 3HD2 LEU 40 1.153 5.132 3.841 280 H GLY 41 H GLY 41 -0.498 7.779 6.572 281 HA2 GLY 41 1HA GLY 41 0.972 9.931 6.588 282 HA3 GLY 41 2HA GLY 41 -0.595 10.709 6.682 283 H ARG 42 H ARG 42 -0.043 11.545 8.813 284 HA ARG 42 HA ARG 42 0.666 9.796 10.871 285 HB2 ARG 42 1HB ARG 42 0.138 12.656 10.520 286 HB3 ARG 42 2HB ARG 42 -0.573 12.094 12.020 287 HG2 ARG 42 1HG ARG 42 1.702 10.953 12.505 288 HG3 ARG 42 2HG ARG 42 2.341 11.870 11.156 289 HD2 ARG 42 1HD ARG 42 2.745 13.080 13.274 290 HD3 ARG 42 2HD ARG 42 1.657 14.000 12.255 291 HE ARG 42 HE ARG 42 0.048 12.330 13.899 292 HH11 ARG 42 2HH2 ARG 42 2.261 15.043 14.256 293 HH12 ARG 42 1HH2 ARG 42 1.493 15.646 15.686 294 HH21 ARG 42 2HH1 ARG 42 -0.966 13.126 15.786 295 HH22 ARG 42 1HH1 ARG 42 -0.355 14.549 16.562 296 H GLY 43 H GLY 43 -0.619 8.821 12.516 297 HA2 GLY 43 1HA GLY 43 -2.996 9.185 13.500 298 HA3 GLY 43 2HA GLY 43 -3.485 8.683 11.894 299 HA PRO 44 HA PRO 44 -2.794 4.935 14.422 300 HB2 PRO 44 1HB PRO 44 -5.344 3.954 14.422 301 HB3 PRO 44 2HB PRO 44 -4.689 4.919 15.729 302 HG2 PRO 44 1HG PRO 44 -6.606 5.711 13.623 303 HG3 PRO 44 2HG PRO 44 -6.270 6.497 15.153 304 HD2 PRO 44 1HD PRO 44 -5.366 7.328 12.561 305 HD3 PRO 44 2HD PRO 44 -4.936 8.045 14.100 306 H LEU 45 H LEU 45 -3.754 5.770 11.363 307 HA LEU 45 HA LEU 45 -4.348 3.311 10.244 308 HB2 LEU 45 1HB LEU 45 -3.137 5.847 9.181 309 HB3 LEU 45 2HB LEU 45 -3.347 4.446 8.150 310 HG LEU 45 HG LEU 45 -5.836 4.541 9.019 311 HD11 LEU 45 1HD1 LEU 45 -5.541 6.270 10.679 312 HD12 LEU 45 2HD1 LEU 45 -4.897 7.388 9.454 313 HD13 LEU 45 3HD1 LEU 45 -6.597 6.869 9.378 314 HD21 LEU 45 1HD2 LEU 45 -4.843 6.559 6.990 315 HD22 LEU 45 2HD2 LEU 45 -5.020 4.815 6.680 316 HD23 LEU 45 3HD2 LEU 45 -6.451 5.799 7.070 317 H THR 46 H THR 46 -1.131 5.011 10.310 318 HA THR 46 HA THR 46 0.096 2.340 10.091 319 HB THR 46 HB THR 46 1.867 3.427 8.829 320 HG1 THR 46 1HG THR 46 0.381 5.880 9.437 321 HG21 THR 46 1HG2 THR 46 -0.837 4.646 8.059 322 HG22 THR 46 2HG2 THR 46 0.624 4.736 7.046 323 HG23 THR 46 3HG2 THR 46 -0.122 3.158 7.393 324 H GLN 47 H GLN 47 -0.793 4.440 12.390 325 HA GLN 47 HA GLN 47 -0.138 4.807 14.428 326 HB2 GLN 47 1HB GLN 47 1.986 2.698 13.844 327 HB3 GLN 47 2HB GLN 47 1.699 3.373 15.435 328 HG2 GLN 47 1HG GLN 47 -0.853 2.569 14.353 329 HG3 GLN 47 2HG GLN 47 0.268 1.245 14.109 330 HE21 GLN 47 1HE2 GLN 47 -2.041 1.646 15.936 331 HE22 GLN 47 2HE2 GLN 47 -1.468 1.304 17.534 332 H VAL 48 H VAL 48 1.215 6.037 11.875 333 HA VAL 48 HA VAL 48 3.786 6.850 12.819 334 HB VAL 48 HB VAL 48 2.013 7.570 10.495 335 HG11 VAL 48 1HG1 VAL 48 4.038 8.881 9.654 336 HG12 VAL 48 2HG1 VAL 48 3.065 9.645 10.934 337 HG13 VAL 48 3HG1 VAL 48 4.615 8.868 11.338 338 HG21 VAL 48 1HG2 VAL 48 4.802 6.555 10.202 339 HG22 VAL 48 2HG2 VAL 48 3.579 5.418 10.818 340 HG23 VAL 48 3HG2 VAL 48 3.345 6.208 9.240 341 H THR 49 H THR 49 4.337 8.646 13.993 342 HA THR 49 HA THR 49 2.229 10.644 14.429 343 HB THR 49 HB THR 49 2.904 10.623 16.864 344 HG1 THR 49 1HG THR 49 5.044 9.588 16.157 345 HG21 THR 49 1HG2 THR 49 1.975 8.376 17.465 346 HG22 THR 49 2HG2 THR 49 0.981 9.165 16.217 347 HG23 THR 49 3HG2 THR 49 2.118 7.872 15.764 348 H ASP 50 H ASP 50 4.598 10.503 12.612 349 HA ASP 50 HA ASP 50 6.439 12.295 13.878 350 HB2 ASP 50 1HB ASP 50 7.199 10.509 12.298 351 HB3 ASP 50 2HB ASP 50 6.271 11.252 11.011 352 H ARG 51 H ARG 51 6.401 14.552 13.582 353 HA ARG 51 HA ARG 51 4.165 15.763 12.607 354 HB2 ARG 51 1HB ARG 51 7.006 16.866 12.888 355 HB3 ARG 51 2HB ARG 51 5.598 17.874 12.620 356 HG2 ARG 51 1HG ARG 51 5.146 16.000 14.836 357 HG3 ARG 51 2HG ARG 51 6.580 16.968 15.113 358 HD2 ARG 51 1HD ARG 51 4.517 18.707 14.066 359 HD3 ARG 51 2HD ARG 51 3.822 17.765 15.370 360 HE ARG 51 HE ARG 51 5.757 19.880 15.652 361 HH11 ARG 51 2HH2 ARG 51 4.898 16.747 17.003 362 HH12 ARG 51 1HH2 ARG 51 5.585 17.086 18.556 363 HH21 ARG 51 2HH1 ARG 51 6.664 20.328 17.701 364 HH22 ARG 51 1HH1 ARG 51 6.597 19.136 18.956 365 H LYS 52 H LYS 52 7.367 15.168 11.026 366 HA LYS 52 HA LYS 52 7.050 16.605 8.734 367 HB2 LYS 52 1HB LYS 52 8.367 13.902 9.127 368 HB3 LYS 52 2HB LYS 52 8.573 14.908 7.708 369 HG2 LYS 52 1HG LYS 52 9.012 16.596 9.989 370 HG3 LYS 52 2HG LYS 52 9.900 15.114 10.279 371 HD2 LYS 52 1HD LYS 52 10.916 15.329 7.964 372 HD3 LYS 52 2HD LYS 52 10.106 16.873 7.790 373 HE2 LYS 52 1HE LYS 52 11.323 17.772 9.754 374 HE3 LYS 52 2HE LYS 52 12.075 16.214 10.033 375 HZ1 LYS 52 1HZ LYS 52 13.413 16.465 8.241 376 HZ2 LYS 52 2HZ LYS 52 12.378 17.418 7.411 377 HZ3 LYS 52 3HZ LYS 52 13.251 18.039 8.644 378 H CYS 53 H CYS 53 5.410 13.631 9.751 379 HA CYS 53 HA CYS 53 4.448 13.035 7.140 380 HB2 CYS 53 1HB CYS 53 4.444 11.774 9.731 381 HB3 CYS 53 2HB CYS 53 2.808 11.793 9.103 382 HG CYS 53 HG CYS 53 3.073 10.400 7.127 383 H SER 54 H SER 54 2.186 13.271 6.444 384 HA SER 54 HA SER 54 0.759 15.285 7.997 385 HB2 SER 54 1HB SER 54 1.941 15.844 5.606 386 HB3 SER 54 2HB SER 54 0.395 15.256 5.025 387 HG SER 54 HG SER 54 -0.584 17.030 5.742 388 H ARG 55 H ARG 55 -1.470 14.912 8.255 389 HA ARG 55 HA ARG 55 -2.463 12.487 8.265 390 HB2 ARG 55 1HB ARG 55 -3.591 15.191 8.151 391 HB3 ARG 55 2HB ARG 55 -4.675 14.050 7.381 392 HG2 ARG 55 1HG ARG 55 -4.059 12.592 9.588 393 HG3 ARG 55 2HG ARG 55 -3.787 14.192 10.250 394 HD2 ARG 55 1HD ARG 55 -6.148 14.738 9.130 395 HD3 ARG 55 2HD ARG 55 -6.357 12.999 9.179 396 HE ARG 55 HE ARG 55 -6.479 13.080 11.534 397 HH11 ARG 55 2HH2 ARG 55 -5.414 16.187 10.270 398 HH12 ARG 55 1HH2 ARG 55 -5.595 17.009 11.784 399 HH21 ARG 55 2HH1 ARG 55 -6.717 14.164 13.532 400 HH22 ARG 55 1HH1 ARG 55 -6.341 15.850 13.652 401 H ASN 56 H ASN 56 -2.018 14.526 5.390 402 HA ASN 56 HA ASN 56 -3.039 12.306 3.805 403 HB2 ASN 56 1HB ASN 56 -3.265 15.268 3.060 404 HB3 ASN 56 2HB ASN 56 -3.926 13.920 2.155 405 HD21 ASN 56 1HD2 ASN 56 -6.020 13.819 2.333 406 HD22 ASN 56 2HD2 ASN 56 -6.974 14.080 3.756 407 H GLN 57 H GLN 57 -0.482 12.018 4.222 408 HA GLN 57 HA GLN 57 1.235 13.778 2.895 409 HB2 GLN 57 1HB GLN 57 2.111 12.383 4.653 410 HB3 GLN 57 2HB GLN 57 1.537 10.918 3.883 411 HG2 GLN 57 1HG GLN 57 3.945 11.124 3.495 412 HG3 GLN 57 2HG GLN 57 3.107 11.317 1.968 413 HE21 GLN 57 1HE2 GLN 57 5.304 12.272 1.547 414 HE22 GLN 57 2HE2 GLN 57 5.500 13.978 1.774 415 H VAL 58 H VAL 58 0.101 10.425 2.036 416 HA VAL 58 HA VAL 58 0.292 11.218 -0.771 417 HB VAL 58 HB VAL 58 1.296 8.992 -1.265 418 HG11 VAL 58 1HG1 VAL 58 2.624 11.282 0.026 419 HG12 VAL 58 2HG1 VAL 58 3.572 9.776 0.061 420 HG13 VAL 58 3HG1 VAL 58 3.007 10.436 -1.492 421 HG21 VAL 58 1HG2 VAL 58 1.345 7.449 0.347 422 HG22 VAL 58 2HG2 VAL 58 2.622 8.401 1.141 423 HG23 VAL 58 3HG2 VAL 58 0.917 8.650 1.589 424 H GLU 59 H GLU 59 -0.930 9.621 -2.196 425 HA GLU 59 HA GLU 59 -3.175 8.585 -0.645 426 HB2 GLU 59 1HB GLU 59 -3.604 10.586 -2.192 427 HB3 GLU 59 2HB GLU 59 -3.271 9.520 -3.543 428 HG2 GLU 59 1HG GLU 59 -5.068 7.937 -2.466 429 HG3 GLU 59 2HG GLU 59 -5.538 9.339 -1.527 430 H LEU 60 H LEU 60 -3.175 6.384 -0.570 431 HA LEU 60 HA LEU 60 -1.811 4.958 -2.713 432 HB2 LEU 60 1HB LEU 60 -2.599 4.335 0.105 433 HB3 LEU 60 2HB LEU 60 -2.357 3.019 -1.026 434 HG LEU 60 HG LEU 60 -0.153 4.929 -1.112 435 HD11 LEU 60 1HD1 LEU 60 0.683 4.862 1.031 436 HD12 LEU 60 2HD1 LEU 60 -1.063 5.020 1.341 437 HD13 LEU 60 3HD1 LEU 60 -0.275 3.430 1.482 438 HD21 LEU 60 1HD2 LEU 60 -0.630 2.030 -1.138 439 HD22 LEU 60 2HD2 LEU 60 0.580 3.010 -2.000 440 HD23 LEU 60 3HD2 LEU 60 0.871 2.518 -0.315 441 H ILE 61 H ILE 61 -2.832 3.525 -4.109 442 HA ILE 61 HA ILE 61 -5.693 3.127 -3.710 443 HB ILE 61 HB ILE 61 -4.391 4.499 -6.033 444 HG12 ILE 61 1HG1 ILE 61 -7.086 5.100 -4.843 445 HG13 ILE 61 2HG1 ILE 61 -5.633 5.602 -4.001 446 HG21 ILE 61 1HG2 ILE 61 -6.939 4.021 -6.921 447 HG22 ILE 61 2HG2 ILE 61 -5.479 3.151 -7.449 448 HG23 ILE 61 3HG2 ILE 61 -6.508 2.467 -6.168 449 HD11 ILE 61 1HD1 ILE 61 -4.912 6.987 -5.812 450 HD12 ILE 61 2HD1 ILE 61 -6.042 6.217 -6.952 451 HD13 ILE 61 3HD1 ILE 61 -6.662 7.287 -5.671 452 H ALA 62 H ALA 62 -6.023 0.976 -3.711 453 HA ALA 62 HA ALA 62 -4.016 -0.774 -4.732 454 HB1 ALA 62 1HB ALA 62 -6.356 -0.873 -3.015 455 HB2 ALA 62 2HB ALA 62 -6.389 -2.210 -4.189 456 HB3 ALA 62 3HB ALA 62 -4.984 -2.001 -3.117 457 H ASP 63 H ASP 63 -3.867 -1.688 -6.732 458 HA ASP 63 HA ASP 63 -6.218 -1.370 -8.429 459 HB2 ASP 63 1HB ASP 63 -3.521 -0.416 -8.784 460 HB3 ASP 63 2HB ASP 63 -3.788 -1.673 -9.976 461 HA PRO 64 HA PRO 64 -5.256 -5.780 -8.231 462 HB2 PRO 64 1HB PRO 64 -7.833 -6.683 -8.316 463 HB3 PRO 64 2HB PRO 64 -6.985 -6.345 -6.820 464 HG2 PRO 64 1HG PRO 64 -9.094 -4.759 -8.155 465 HG3 PRO 64 2HG PRO 64 -8.545 -4.677 -6.492 466 HD2 PRO 64 1HD PRO 64 -7.909 -2.841 -8.602 467 HD3 PRO 64 2HD PRO 64 -7.269 -2.826 -6.971 468 H GLU 65 H GLU 65 -6.239 -3.733 -10.547 469 HA GLU 65 HA GLU 65 -7.109 -5.598 -12.458 470 HB2 GLU 65 1HB GLU 65 -6.464 -2.706 -12.349 471 HB3 GLU 65 2HB GLU 65 -6.154 -3.436 -13.911 472 HG2 GLU 65 1HG GLU 65 -8.709 -4.368 -12.807 473 HG3 GLU 65 2HG GLU 65 -8.664 -2.618 -12.890 474 H SER 66 H SER 66 -3.939 -4.121 -11.604 475 HA SER 66 HA SER 66 -2.725 -6.158 -13.287 476 HB2 SER 66 1HB SER 66 -2.001 -3.204 -13.159 477 HB3 SER 66 2HB SER 66 -0.898 -4.411 -13.790 478 HG SER 66 HG SER 66 -2.018 -4.510 -15.616 479 H ARG 67 H ARG 67 -3.348 -5.802 -10.320 480 HA ARG 67 HA ARG 67 -2.417 -6.055 -8.384 481 HB2 ARG 67 1HB ARG 67 -0.198 -7.306 -10.075 482 HB3 ARG 67 2HB ARG 67 -0.234 -7.415 -8.327 483 HG2 ARG 67 1HG ARG 67 -1.671 -9.161 -8.445 484 HG3 ARG 67 2HG ARG 67 -2.847 -8.158 -9.271 485 HD2 ARG 67 1HD ARG 67 -2.533 -9.641 -10.999 486 HD3 ARG 67 2HD ARG 67 -1.132 -8.649 -11.350 487 HE ARG 67 HE ARG 67 -0.424 -10.626 -9.384 488 HH11 ARG 67 2HH2 ARG 67 -1.168 -10.318 -12.810 489 HH12 ARG 67 1HH2 ARG 67 -0.227 -11.699 -13.268 490 HH21 ARG 67 2HH1 ARG 67 0.817 -12.447 -9.989 491 HH22 ARG 67 1HH1 ARG 67 0.909 -12.918 -11.653 492 H THR 68 H THR 68 -2.082 -3.454 -9.376 493 HA THR 68 HA THR 68 0.575 -2.765 -8.313 494 HB THR 68 HB THR 68 0.328 -0.807 -10.065 495 HG1 THR 68 1HG THR 68 -1.401 -1.150 -11.415 496 HG21 THR 68 1HG2 THR 68 2.023 -2.152 -10.881 497 HG22 THR 68 2HG2 THR 68 1.145 -3.649 -10.486 498 HG23 THR 68 3HG2 THR 68 0.759 -2.758 -11.978 499 H VAL 69 H VAL 69 0.584 -0.261 -7.801 500 HA VAL 69 HA VAL 69 -2.004 0.534 -6.731 501 HB VAL 69 HB VAL 69 0.502 0.300 -5.053 502 HG11 VAL 69 1HG1 VAL 69 -1.127 2.242 -4.621 503 HG12 VAL 69 2HG1 VAL 69 -2.273 0.993 -4.076 504 HG13 VAL 69 3HG1 VAL 69 -0.712 1.193 -3.245 505 HG21 VAL 69 1HG2 VAL 69 -2.082 -1.289 -4.907 506 HG22 VAL 69 2HG2 VAL 69 -0.522 -1.893 -5.516 507 HG23 VAL 69 3HG2 VAL 69 -0.692 -1.432 -3.805 508 H ALA 70 H ALA 70 -2.248 2.794 -6.587 509 HA ALA 70 HA ALA 70 -0.115 4.260 -7.946 510 HB1 ALA 70 1HB ALA 70 -2.874 4.136 -8.317 511 HB2 ALA 70 2HB ALA 70 -2.641 5.665 -7.436 512 HB3 ALA 70 3HB ALA 70 -1.784 5.382 -8.971 513 H VAL 71 H VAL 71 0.786 6.169 -7.053 514 HA VAL 71 HA VAL 71 -0.018 6.772 -4.306 515 HB VAL 71 HB VAL 71 2.716 6.004 -5.302 516 HG11 VAL 71 1HG1 VAL 71 2.033 7.695 -2.880 517 HG12 VAL 71 2HG1 VAL 71 3.568 6.812 -3.060 518 HG13 VAL 71 3HG1 VAL 71 3.135 8.091 -4.221 519 HG21 VAL 71 1HG2 VAL 71 2.646 4.705 -3.101 520 HG22 VAL 71 2HG2 VAL 71 0.915 5.114 -3.039 521 HG23 VAL 71 3HG2 VAL 71 1.555 4.154 -4.394 522 H LYS 72 H LYS 72 -0.691 8.850 -4.376 523 HA LYS 72 HA LYS 72 0.808 10.654 -6.146 524 HB2 LYS 72 1HB LYS 72 -1.409 10.459 -6.978 525 HB3 LYS 72 2HB LYS 72 -2.114 10.582 -5.379 526 HG2 LYS 72 1HG LYS 72 -2.080 12.859 -5.430 527 HG3 LYS 72 2HG LYS 72 -0.407 12.900 -5.949 528 HD2 LYS 72 1HD LYS 72 -1.206 13.651 -7.946 529 HD3 LYS 72 2HD LYS 72 -1.682 11.991 -8.244 530 HE2 LYS 72 1HE LYS 72 -3.851 12.648 -8.295 531 HE3 LYS 72 2HE LYS 72 -3.739 13.091 -6.604 532 HZ1 LYS 72 1HZ LYS 72 -4.074 15.135 -7.339 533 HZ2 LYS 72 2HZ LYS 72 -2.528 15.134 -7.866 534 HZ3 LYS 72 3HZ LYS 72 -3.742 14.765 -8.895 535 H GLN 73 H GLN 73 1.939 12.277 -5.204 536 HA GLN 73 HA GLN 73 1.992 12.376 -2.389 537 HB2 GLN 73 1HB GLN 73 3.859 12.881 -4.205 538 HB3 GLN 73 2HB GLN 73 3.216 14.510 -4.147 539 HG2 GLN 73 1HG GLN 73 3.772 13.168 -1.511 540 HG3 GLN 73 2HG GLN 73 5.161 13.651 -2.465 541 HE21 GLN 73 1HE2 GLN 73 5.935 15.463 -1.707 542 HE22 GLN 73 2HE2 GLN 73 5.047 16.885 -1.271 543 H LEU 74 H LEU 74 0.799 13.628 -1.005 544 HA LEU 74 HA LEU 74 -0.595 15.924 -2.194 545 HB2 LEU 74 1HB LEU 74 -1.855 14.496 0.076 546 HB3 LEU 74 2HB LEU 74 -2.581 15.351 -1.270 547 HG LEU 74 HG LEU 74 -1.172 12.760 -1.808 548 HD11 LEU 74 1HD1 LEU 74 -3.126 12.903 0.170 549 HD12 LEU 74 2HD1 LEU 74 -4.002 12.361 -1.282 550 HD13 LEU 74 3HD1 LEU 74 -2.587 11.449 -0.703 551 HD21 LEU 74 1HD2 LEU 74 -1.914 13.908 -3.744 552 HD22 LEU 74 2HD2 LEU 74 -3.066 12.579 -3.472 553 HD23 LEU 74 3HD2 LEU 74 -3.507 14.245 -3.026 554 H GLY 75 H GLY 75 1.796 14.852 -0.102 555 HA2 GLY 75 1HA GLY 75 1.272 16.831 1.984 556 HA3 GLY 75 2HA GLY 75 2.529 15.610 1.962 557 H VAL 76 H VAL 76 4.213 17.125 2.445 558 HA VAL 76 HA VAL 76 4.780 18.972 0.229 559 HB VAL 76 HB VAL 76 4.268 20.295 2.091 560 HG11 VAL 76 1HG1 VAL 76 4.255 18.516 3.791 561 HG12 VAL 76 2HG1 VAL 76 6.035 18.500 3.790 562 HG13 VAL 76 3HG1 VAL 76 5.159 19.945 4.348 563 HG21 VAL 76 1HG2 VAL 76 6.483 20.747 0.900 564 HG22 VAL 76 2HG2 VAL 76 6.268 21.493 2.502 565 HG23 VAL 76 3HG2 VAL 76 7.275 20.036 2.327 566 H ASN 77 H ASN 77 6.170 16.833 2.800 567 HA ASN 77 HA ASN 77 8.757 16.959 1.803 568 HB2 ASN 77 1HB ASN 77 7.259 14.939 3.531 569 HB3 ASN 77 2HB ASN 77 8.938 14.677 3.101 570 HD21 ASN 77 1HD2 ASN 77 6.754 16.237 5.157 571 HD22 ASN 77 2HD2 ASN 77 7.848 17.249 6.040 572 HA PRO 78 HA PRO 78 8.322 14.175 -1.569 573 HB2 PRO 78 1HB PRO 78 10.950 13.641 -2.094 574 HB3 PRO 78 2HB PRO 78 10.135 15.087 -2.656 575 HG2 PRO 78 1HG PRO 78 12.082 14.796 -0.451 576 HG3 PRO 78 2HG PRO 78 11.589 16.250 -1.295 577 HD2 PRO 78 1HD PRO 78 10.756 15.417 1.320 578 HD3 PRO 78 2HD PRO 78 10.175 16.810 0.429 579 H SER 79 H SER 79 7.393 12.241 -1.415 580 HA SER 79 HA SER 79 8.541 10.471 0.522 581 HB2 SER 79 1HB SER 79 6.043 10.476 -1.183 582 HB3 SER 79 2HB SER 79 6.563 8.981 -0.431 583 HG SER 79 HG SER 79 5.828 9.681 1.450 584 H THR 80 H THR 80 9.250 8.259 0.009 585 HA THR 80 HA THR 80 10.334 8.097 -2.717 586 HB THR 80 HB THR 80 11.146 6.524 -0.224 587 HG1 THR 80 1HG THR 80 11.392 8.806 0.171 588 HG21 THR 80 1HG2 THR 80 12.111 5.662 -2.333 589 HG22 THR 80 2HG2 THR 80 12.569 7.312 -2.821 590 HG23 THR 80 3HG2 THR 80 13.369 6.540 -1.430 591 H VAL 81 H VAL 81 9.310 6.862 -4.148 592 HA VAL 81 HA VAL 81 7.578 4.758 -3.086 593 HB VAL 81 HB VAL 81 7.666 6.395 -5.594 594 HG11 VAL 81 1HG1 VAL 81 6.739 3.577 -5.348 595 HG12 VAL 81 2HG1 VAL 81 5.657 4.706 -6.198 596 HG13 VAL 81 3HG1 VAL 81 7.327 4.476 -6.768 597 HG21 VAL 81 1HG2 VAL 81 6.317 6.954 -3.472 598 HG22 VAL 81 2HG2 VAL 81 5.464 6.994 -5.034 599 HG23 VAL 81 3HG2 VAL 81 5.262 5.600 -3.945 600 H GLY 82 H GLY 82 9.553 3.465 -2.549 601 HA2 GLY 82 1HA GLY 82 10.471 1.426 -3.165 602 HA3 GLY 82 2HA GLY 82 10.270 1.822 -4.860 603 H VAL 83 H VAL 83 11.883 2.992 -5.988 604 HA VAL 83 HA VAL 83 14.263 3.629 -4.386 605 HB VAL 83 HB VAL 83 14.392 1.502 -5.733 606 HG11 VAL 83 1HG1 VAL 83 13.946 1.439 -7.923 607 HG12 VAL 83 2HG1 VAL 83 13.288 3.085 -7.755 608 HG13 VAL 83 3HG1 VAL 83 14.983 2.850 -8.246 609 HG21 VAL 83 1HG2 VAL 83 16.611 2.394 -6.929 610 HG22 VAL 83 2HG2 VAL 83 16.282 3.807 -5.898 611 HG23 VAL 83 3HG2 VAL 83 16.493 2.199 -5.164 612 H GLN 84 H GLN 84 11.749 5.080 -5.641 613 HA GLN 84 HA GLN 84 13.382 7.113 -6.950 614 HB2 GLN 84 1HB GLN 84 12.060 6.198 -8.709 615 HB3 GLN 84 2HB GLN 84 10.637 6.059 -7.696 616 HG2 GLN 84 1HG GLN 84 10.180 8.381 -7.777 617 HG3 GLN 84 2HG GLN 84 11.833 8.798 -8.183 618 HE21 GLN 84 1HE2 GLN 84 9.097 9.247 -9.422 619 HE22 GLN 84 2HE2 GLN 84 9.277 8.828 -11.092 620 H GLU 85 H GLU 85 12.951 9.297 -6.377 621 HA GLU 85 HA GLU 85 11.375 9.507 -3.957 622 HB2 GLU 85 1HB GLU 85 13.608 10.363 -3.714 623 HB3 GLU 85 2HB GLU 85 13.517 11.257 -5.219 624 HG2 GLU 85 1HG GLU 85 11.647 12.654 -4.194 625 HG3 GLU 85 2HG GLU 85 11.932 11.833 -2.672 626 H LEU 86 H LEU 86 9.377 10.456 -3.953 627 HA LEU 86 HA LEU 86 8.411 11.547 -6.432 628 HB2 LEU 86 1HB LEU 86 7.240 10.733 -3.810 629 HB3 LEU 86 2HB LEU 86 6.343 11.855 -4.814 630 HG LEU 86 HG LEU 86 6.796 8.966 -5.136 631 HD11 LEU 86 1HD1 LEU 86 4.661 10.929 -5.365 632 HD12 LEU 86 2HD1 LEU 86 4.669 9.784 -6.728 633 HD13 LEU 86 3HD1 LEU 86 4.583 9.178 -5.057 634 HD21 LEU 86 1HD2 LEU 86 6.696 9.027 -7.611 635 HD22 LEU 86 2HD2 LEU 86 6.983 10.783 -7.553 636 HD23 LEU 86 3HD2 LEU 86 8.225 9.659 -6.952 637 H LYS 87 H LYS 87 6.678 13.562 -5.677 638 HA LYS 87 HA LYS 87 8.189 15.490 -4.144 639 HB2 LYS 87 1HB LYS 87 8.182 15.459 -7.076 640 HB3 LYS 87 2HB LYS 87 7.610 16.976 -6.411 641 HG2 LYS 87 1HG LYS 87 9.636 17.364 -5.213 642 HG3 LYS 87 2HG LYS 87 10.120 15.682 -5.298 643 HD2 LYS 87 1HD LYS 87 11.489 16.598 -6.954 644 HD3 LYS 87 2HD LYS 87 10.118 16.092 -7.921 645 HE2 LYS 87 1HE LYS 87 9.668 18.235 -8.530 646 HE3 LYS 87 2HE LYS 87 9.609 18.755 -6.857 647 HZ1 LYS 87 1HZ LYS 87 11.964 18.995 -6.864 648 HZ2 LYS 87 2HZ LYS 87 12.099 18.374 -8.368 649 HZ3 LYS 87 3HZ LYS 87 11.368 19.816 -8.144 650 HA PRO 88 HA PRO 88 4.223 17.014 -3.363 651 HB2 PRO 88 1HB PRO 88 4.476 19.733 -3.279 652 HB3 PRO 88 2HB PRO 88 4.977 18.683 -1.968 653 HG2 PRO 88 1HG PRO 88 6.651 20.101 -3.950 654 HG3 PRO 88 2HG PRO 88 7.121 19.411 -2.410 655 HD2 PRO 88 1HD PRO 88 7.606 18.299 -5.009 656 HD3 PRO 88 2HD PRO 88 7.973 17.555 -3.465 657 H GLY 89 H GLY 89 3.157 16.129 -5.181 658 HA2 GLY 89 1HA GLY 89 1.333 17.193 -6.496 659 HA3 GLY 89 2HA GLY 89 2.572 18.215 -7.197 660 H LEU 90 H LEU 90 4.061 15.259 -6.589 661 HA LEU 90 HA LEU 90 3.825 14.538 -9.386 662 HB2 LEU 90 1HB LEU 90 5.945 14.692 -7.737 663 HB3 LEU 90 2HB LEU 90 5.537 13.001 -7.518 664 HG LEU 90 HG LEU 90 5.876 12.506 -9.821 665 HD11 LEU 90 1HD1 LEU 90 6.749 14.677 -11.206 666 HD12 LEU 90 2HD1 LEU 90 5.084 14.048 -11.249 667 HD13 LEU 90 3HD1 LEU 90 5.494 15.410 -10.178 668 HD21 LEU 90 1HD2 LEU 90 8.007 12.369 -9.154 669 HD22 LEU 90 2HD2 LEU 90 8.239 13.876 -10.073 670 HD23 LEU 90 3HD2 LEU 90 7.951 13.939 -8.318 671 H SER 91 H SER 91 4.071 11.860 -9.520 672 HA SER 91 HA SER 91 2.281 10.609 -7.698 673 HB2 SER 91 1HB SER 91 1.178 10.035 -10.307 674 HB3 SER 91 2HB SER 91 0.367 10.681 -8.894 675 HG SER 91 HG SER 91 1.982 12.348 -10.611 676 H GLY 92 H GLY 92 2.732 8.393 -7.604 677 HA2 GLY 92 1HA GLY 92 4.301 7.249 -9.824 678 HA3 GLY 92 2HA GLY 92 4.877 7.137 -8.173 679 H SER 93 H SER 93 4.669 4.724 -8.998 680 HA SER 93 HA SER 93 2.078 3.826 -8.032 681 HB2 SER 93 1HB SER 93 2.254 1.928 -9.747 682 HB3 SER 93 2HB SER 93 1.852 3.511 -10.383 683 HG SER 93 HG SER 93 4.071 1.922 -10.881 684 H LEU 94 H LEU 94 2.147 1.632 -7.055 685 HA LEU 94 HA LEU 94 4.881 0.932 -6.237 686 HB2 LEU 94 1HB LEU 94 2.358 1.271 -4.739 687 HB3 LEU 94 2HB LEU 94 3.307 -0.138 -4.309 688 HG LEU 94 HG LEU 94 3.718 1.923 -2.929 689 HD11 LEU 94 1HD1 LEU 94 6.003 0.588 -4.390 690 HD12 LEU 94 2HD1 LEU 94 6.236 1.693 -3.014 691 HD13 LEU 94 3HD1 LEU 94 5.318 0.183 -2.798 692 HD21 LEU 94 1HD2 LEU 94 3.618 3.679 -4.513 693 HD22 LEU 94 2HD2 LEU 94 5.306 3.605 -3.954 694 HD23 LEU 94 3HD2 LEU 94 4.864 2.928 -5.539 695 H SER 95 H SER 95 5.466 -1.282 -6.200 696 HA SER 95 HA SER 95 3.601 -2.925 -7.723 697 HB2 SER 95 1HB SER 95 6.561 -3.513 -7.462 698 HB3 SER 95 2HB SER 95 5.452 -4.033 -8.715 699 HG SER 95 HG SER 95 5.361 -1.868 -9.520 700 H LEU 96 H LEU 96 4.079 -5.431 -7.259 701 HA LEU 96 HA LEU 96 3.499 -5.816 -4.521 702 HB2 LEU 96 1HB LEU 96 3.640 -7.407 -6.982 703 HB3 LEU 96 2HB LEU 96 4.080 -8.297 -5.538 704 HG LEU 96 HG LEU 96 1.496 -6.747 -5.862 705 HD11 LEU 96 1HD1 LEU 96 2.033 -8.907 -7.328 706 HD12 LEU 96 2HD1 LEU 96 1.527 -9.725 -5.830 707 HD13 LEU 96 3HD1 LEU 96 0.421 -8.591 -6.642 708 HD21 LEU 96 1HD2 LEU 96 0.830 -7.511 -3.803 709 HD22 LEU 96 2HD2 LEU 96 1.926 -8.913 -3.840 710 HD23 LEU 96 3HD2 LEU 96 2.573 -7.285 -3.524 711 H GLY 97 H GLY 97 4.913 -5.774 -2.867 712 HA2 GLY 97 1HA GLY 97 6.751 -6.718 -1.753 713 HA3 GLY 97 2HA GLY 97 7.557 -6.987 -3.286 714 H ASP 98 H ASP 98 6.538 -4.119 -4.106 715 HA ASP 98 HA ASP 98 8.927 -2.845 -3.552 716 HB2 ASP 98 1HB ASP 98 6.205 -1.914 -4.520 717 HB3 ASP 98 2HB ASP 98 7.477 -0.743 -4.237 718 H VAL 99 H VAL 99 9.156 -0.726 -2.281 719 HA VAL 99 HA VAL 99 7.452 -0.817 0.110 720 HB VAL 99 HB VAL 99 10.310 0.111 -0.239 721 HG11 VAL 99 1HG1 VAL 99 9.600 1.447 1.498 722 HG12 VAL 99 2HG1 VAL 99 8.371 0.281 2.043 723 HG13 VAL 99 3HG1 VAL 99 10.091 -0.010 2.394 724 HG21 VAL 99 1HG2 VAL 99 9.104 -2.388 0.976 725 HG22 VAL 99 2HG2 VAL 99 10.294 -2.264 -0.342 726 HG23 VAL 99 3HG2 VAL 99 10.763 -1.842 1.323 727 H LEU 100 H LEU 100 6.807 1.231 1.058 728 HA LEU 100 HA LEU 100 7.089 3.502 -0.771 729 HB2 LEU 100 1HB LEU 100 4.977 2.674 -1.347 730 HB3 LEU 100 2HB LEU 100 4.559 2.300 0.313 731 HG LEU 100 HG LEU 100 4.287 4.637 0.851 732 HD11 LEU 100 1HD1 LEU 100 6.170 5.347 -0.754 733 HD12 LEU 100 2HD1 LEU 100 4.894 5.426 -1.992 734 HD13 LEU 100 3HD1 LEU 100 4.785 6.444 -0.536 735 HD21 LEU 100 1HD2 LEU 100 2.241 3.976 0.127 736 HD22 LEU 100 2HD2 LEU 100 2.574 5.200 -1.122 737 HD23 LEU 100 3HD2 LEU 100 2.838 3.475 -1.473 738 H TYR 101 H TYR 101 8.748 4.272 0.662 739 HA TYR 101 HA TYR 101 8.423 4.498 3.419 740 HB2 TYR 101 1HB TYR 101 9.903 6.169 1.292 741 HB3 TYR 101 2HB TYR 101 10.235 6.299 3.008 742 HD1 TYR 101 1HD TYR 101 11.066 4.191 4.238 743 HD2 TYR 101 2HD TYR 101 10.996 4.546 -0.025 744 HE1 TYR 101 1HE TYR 101 12.763 2.308 4.046 745 HE2 TYR 101 2HE TYR 101 12.693 2.661 -0.203 746 HH TYR 101 HH TYR 101 13.544 0.892 0.974 747 H LEU 102 H LEU 102 6.505 5.381 4.186 748 HA LEU 102 HA LEU 102 4.938 7.273 3.188 749 HB2 LEU 102 1HB LEU 102 5.393 6.115 5.704 750 HB3 LEU 102 2HB LEU 102 5.366 7.844 5.987 751 HG LEU 102 HG LEU 102 3.177 7.051 4.249 752 HD11 LEU 102 1HD1 LEU 102 3.724 5.345 6.596 753 HD12 LEU 102 2HD1 LEU 102 2.065 5.979 6.480 754 HD13 LEU 102 3HD1 LEU 102 2.751 5.031 5.139 755 HD21 LEU 102 1HD2 LEU 102 3.148 8.261 7.025 756 HD22 LEU 102 2HD2 LEU 102 3.398 9.180 5.521 757 HD23 LEU 102 3HD2 LEU 102 1.859 8.328 5.799 758 H VAL 103 H VAL 103 7.802 8.048 5.293 759 HA VAL 103 HA VAL 103 8.491 10.250 3.638 760 HB VAL 103 HB VAL 103 6.498 11.119 4.870 761 HG11 VAL 103 1HG1 VAL 103 6.810 11.734 7.264 762 HG12 VAL 103 2HG1 VAL 103 6.750 9.976 6.991 763 HG13 VAL 103 3HG1 VAL 103 8.312 10.779 7.281 764 HG21 VAL 103 1HG2 VAL 103 8.836 12.712 5.840 765 HG22 VAL 103 2HG2 VAL 103 8.684 12.421 4.091 766 HG23 VAL 103 3HG2 VAL 103 7.371 13.236 4.975 767 H ASN 104 H ASN 104 10.306 11.587 4.904 768 HA ASN 104 HA ASN 104 12.377 11.416 5.572 769 HB2 ASN 104 1HB ASN 104 10.638 10.871 7.780 770 HB3 ASN 104 2HB ASN 104 11.986 9.767 7.960 771 HD21 ASN 104 1HD2 ASN 104 10.901 13.033 8.024 772 HD22 ASN 104 2HD2 ASN 104 12.360 13.792 8.568 773 H GLY 105 H GLY 105 11.509 9.238 3.786 774 HA2 GLY 105 1HA GLY 105 12.101 7.190 3.062 775 HA3 GLY 105 2HA GLY 105 13.655 7.540 3.792 776 H LEU 106 H LEU 106 10.843 7.507 5.914 777 HA LEU 106 HA LEU 106 11.658 4.842 6.846 778 HB2 LEU 106 1HB LEU 106 10.930 7.316 8.403 779 HB3 LEU 106 2HB LEU 106 10.868 5.713 9.109 780 HG LEU 106 HG LEU 106 13.336 7.036 7.947 781 HD11 LEU 106 1HD1 LEU 106 12.350 7.924 10.149 782 HD12 LEU 106 2HD1 LEU 106 12.872 6.373 10.850 783 HD13 LEU 106 3HD1 LEU 106 14.071 7.469 10.121 784 HD21 LEU 106 1HD2 LEU 106 13.659 4.744 7.602 785 HD22 LEU 106 2HD2 LEU 106 14.480 5.080 9.145 786 HD23 LEU 106 3HD2 LEU 106 12.878 4.305 9.140 787 H TYR 107 H TYR 107 9.607 4.336 8.636 788 HA TYR 107 HA TYR 107 7.612 3.332 8.551 789 HB2 TYR 107 1HB TYR 107 6.636 5.887 7.195 790 HB3 TYR 107 2HB TYR 107 5.883 5.024 8.521 791 HD1 TYR 107 2HD TYR 107 7.693 4.847 10.654 792 HD2 TYR 107 1HD TYR 107 7.384 7.996 7.774 793 HE1 TYR 107 2HE TYR 107 8.750 6.469 12.302 794 HE2 TYR 107 1HE TYR 107 8.443 9.607 9.432 795 HH TYR 107 HH TYR 107 9.446 9.812 11.348 796 HA PRO 108 HA PRO 108 7.637 2.597 4.032 797 HB2 PRO 108 1HB PRO 108 8.769 0.109 3.999 798 HB3 PRO 108 2HB PRO 108 9.680 1.581 3.722 799 HG2 PRO 108 1HG PRO 108 9.618 -0.134 6.128 800 HG3 PRO 108 2HG PRO 108 10.806 1.068 5.668 801 HD2 PRO 108 1HD PRO 108 8.748 1.359 7.644 802 HD3 PRO 108 2HD PRO 108 9.862 2.598 7.101 803 H LEU 109 H LEU 109 6.075 1.551 2.818 804 HA LEU 109 HA LEU 109 4.449 -0.259 4.465 805 HB2 LEU 109 1HB LEU 109 3.641 2.041 2.716 806 HB3 LEU 109 2HB LEU 109 2.548 0.694 2.970 807 HG LEU 109 HG LEU 109 2.080 2.572 4.476 808 HD11 LEU 109 1HD1 LEU 109 1.247 0.967 5.762 809 HD12 LEU 109 2HD1 LEU 109 2.529 -0.165 5.269 810 HD13 LEU 109 3HD1 LEU 109 2.792 0.933 6.645 811 HD21 LEU 109 1HD2 LEU 109 4.569 3.231 4.599 812 HD22 LEU 109 2HD2 LEU 109 3.561 3.436 6.052 813 HD23 LEU 109 3HD2 LEU 109 4.667 2.046 5.924 814 H THR 110 H THR 110 5.683 -2.043 3.587 815 HA THR 110 HA THR 110 6.024 -2.445 0.836 816 HB THR 110 HB THR 110 5.880 -4.348 3.233 817 HG1 THR 110 1HG THR 110 7.671 -2.966 3.398 818 HG21 THR 110 1HG2 THR 110 5.689 -5.350 0.775 819 HG22 THR 110 2HG2 THR 110 7.396 -4.860 0.653 820 HG23 THR 110 3HG2 THR 110 6.891 -6.026 1.900 821 H LEU 111 H LEU 111 4.813 -3.315 -0.776 822 HA LEU 111 HA LEU 111 2.002 -3.643 -0.145 823 HB2 LEU 111 1HB LEU 111 2.490 -2.208 -1.968 824 HB3 LEU 111 2HB LEU 111 3.569 -3.377 -2.704 825 HG LEU 111 HG LEU 111 1.692 -4.840 -3.239 826 HD11 LEU 111 1HD1 LEU 111 -0.599 -3.297 -2.845 827 HD12 LEU 111 2HD1 LEU 111 -0.130 -4.774 -1.968 828 HD13 LEU 111 3HD1 LEU 111 0.299 -3.175 -1.313 829 HD21 LEU 111 1HD2 LEU 111 2.343 -3.141 -4.864 830 HD22 LEU 111 2HD2 LEU 111 0.589 -3.437 -4.919 831 HD23 LEU 111 3HD2 LEU 111 1.220 -1.978 -4.119 832 H ARG 112 H ARG 112 0.825 -5.555 -0.420 833 HA ARG 112 HA ARG 112 2.336 -7.849 -1.300 834 HB2 ARG 112 1HB ARG 112 0.944 -7.616 1.410 835 HB3 ARG 112 2HB ARG 112 1.372 -9.162 0.706 836 HG2 ARG 112 1HG ARG 112 3.429 -6.946 1.081 837 HG3 ARG 112 2HG ARG 112 3.072 -8.099 2.352 838 HD2 ARG 112 1HD ARG 112 3.794 -9.973 0.988 839 HD3 ARG 112 2HD ARG 112 3.848 -8.988 -0.461 840 HE ARG 112 HE ARG 112 5.609 -7.696 1.248 841 HH11 ARG 112 2HH2 ARG 112 5.315 -11.003 0.083 842 HH12 ARG 112 1HH2 ARG 112 7.014 -11.324 0.181 843 HH21 ARG 112 2HH1 ARG 112 7.851 -8.119 1.378 844 HH22 ARG 112 1HH1 ARG 112 8.466 -9.672 0.922 845 H TRP 113 H TRP 113 0.935 -9.639 -2.014 846 HA TRP 113 HA TRP 113 -1.896 -8.872 -2.218 847 HB2 TRP 113 1HB TRP 113 -1.298 -8.463 -4.371 848 HB3 TRP 113 2HB TRP 113 0.043 -9.590 -4.349 849 HD1 TRP 113 HD TRP 113 -0.930 -12.363 -4.235 850 HE1 TRP 113 1HE TRP 113 -2.793 -13.512 -5.709 851 HE3 TRP 113 3HE TRP 113 -3.248 -8.049 -5.602 852 HZ2 TRP 113 2HZ TRP 113 -4.978 -12.510 -7.247 853 HZ3 TRP 113 3HZ TRP 113 -5.239 -8.223 -7.092 854 HH2 TRP 113 HH TRP 113 -6.109 -10.355 -7.910 855 H SER 114 H SER 114 -3.310 -10.503 -1.621 856 HA SER 114 HA SER 114 -2.103 -12.835 -0.512 857 HB2 SER 114 1HB SER 114 -3.861 -12.001 0.812 858 HB3 SER 114 2HB SER 114 -4.879 -11.647 -0.571 859 HG SER 114 HG SER 114 -5.316 -13.876 -0.839 860 H GLY 115 H GLY 115 -2.478 -15.029 -1.194 861 HA2 GLY 115 1HA GLY 115 -4.092 -15.546 -3.534 862 HA3 GLY 115 2HA GLY 115 -2.365 -15.639 -3.822 863 HA PRO 116 HA PRO 116 -3.406 -19.716 -2.279 864 HB2 PRO 116 1HB PRO 116 -1.814 -21.124 -3.997 865 HB3 PRO 116 2HB PRO 116 -3.494 -20.755 -4.331 866 HG2 PRO 116 1HG PRO 116 -1.064 -19.527 -5.481 867 HG3 PRO 116 2HG PRO 116 -2.707 -19.485 -6.088 868 HD2 PRO 116 1HD PRO 116 -1.327 -17.371 -4.727 869 HD3 PRO 116 2HD PRO 116 -3.005 -17.373 -5.231 870 H SER 117 H SER 117 -2.359 -18.753 -0.350 871 HA SER 117 HA SER 117 0.100 -20.223 -0.008 872 HB2 SER 117 1HB SER 117 -0.030 -17.329 -0.294 873 HB3 SER 117 2HB SER 117 0.533 -17.737 1.314 874 HG SER 117 HG SER 117 2.377 -18.544 0.519 875 H SER 118 H SER 118 -2.128 -17.805 1.565 876 HA SER 118 HA SER 118 -1.985 -19.454 3.955 877 HB2 SER 118 1HB SER 118 -1.878 -16.639 3.535 878 HB3 SER 118 2HB SER 118 -3.419 -16.943 4.310 879 HG SER 118 HG SER 118 -2.239 -16.964 6.106 880 H GLY 119 H GLY 119 -4.036 -19.888 5.144 881 HA2 GLY 119 1HA GLY 119 -6.574 -19.274 4.469 882 HA3 GLY 119 2HA GLY 119 -6.174 -20.522 3.306 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -40.657 3.304 -15.828 2 HA2 GLY 1 1HA GLY 1 -37.887 4.222 -15.397 3 HA3 GLY 1 2HA GLY 1 -39.242 5.266 -15.016 4 H SER 2 H SER 2 -37.252 2.623 -13.950 5 HA SER 2 HA SER 2 -38.407 2.767 -11.384 6 HB2 SER 2 1HB SER 2 -39.387 0.637 -11.154 7 HB3 SER 2 2HB SER 2 -39.946 1.158 -12.731 8 HG SER 2 HG SER 2 -39.194 -0.958 -12.971 9 H SER 3 H SER 3 -36.805 2.275 -9.882 10 HA SER 3 HA SER 3 -34.490 0.870 -10.970 11 HB2 SER 3 1HB SER 3 -34.547 3.498 -10.114 12 HB3 SER 3 2HB SER 3 -34.037 2.677 -8.653 13 HG SER 3 HG SER 3 -32.701 2.943 -11.146 14 H GLY 4 H GLY 4 -34.426 -1.159 -10.072 15 HA2 GLY 4 1HA GLY 4 -34.612 -1.396 -7.173 16 HA3 GLY 4 2HA GLY 4 -35.823 -2.255 -8.103 17 H SER 5 H SER 5 -32.278 -1.857 -7.609 18 HA SER 5 HA SER 5 -31.763 -4.217 -9.144 19 HB2 SER 5 1HB SER 5 -29.367 -3.770 -8.419 20 HB3 SER 5 2HB SER 5 -30.121 -2.475 -9.328 21 HG SER 5 HG SER 5 -29.130 -2.455 -6.750 22 H SER 6 H SER 6 -31.602 -6.282 -8.314 23 HA SER 6 HA SER 6 -30.823 -6.637 -5.599 24 HB2 SER 6 1HB SER 6 -32.865 -7.948 -4.970 25 HB3 SER 6 2HB SER 6 -33.193 -6.244 -5.213 26 HG SER 6 HG SER 6 -34.809 -7.448 -6.282 27 H GLY 7 H GLY 7 -29.098 -7.890 -6.446 28 HA2 GLY 7 1HA GLY 7 -29.883 -10.542 -7.398 29 HA3 GLY 7 2HA GLY 7 -28.859 -9.580 -8.445 30 H MET 8 H MET 8 -29.088 -11.295 -5.335 31 HA MET 8 HA MET 8 -26.432 -10.591 -4.585 32 HB2 MET 8 1HB MET 8 -28.240 -11.063 -2.914 33 HB3 MET 8 2HB MET 8 -28.408 -12.694 -3.534 34 HG2 MET 8 1HG MET 8 -26.915 -13.258 -1.892 35 HG3 MET 8 2HG MET 8 -25.700 -12.633 -2.990 36 HE1 MET 8 1HE MET 8 -26.767 -11.206 1.057 37 HE2 MET 8 2HE MET 8 -27.374 -12.605 0.140 38 HE3 MET 8 3HE MET 8 -25.650 -12.505 0.573 39 H SER 9 H SER 9 -24.698 -11.429 -5.669 40 HA SER 9 HA SER 9 -24.333 -14.198 -5.727 41 HB2 SER 9 1HB SER 9 -24.134 -14.349 -8.292 42 HB3 SER 9 2HB SER 9 -25.753 -14.354 -7.622 43 HG SER 9 HG SER 9 -25.633 -12.894 -9.406 44 H GLN 10 H GLN 10 -22.152 -14.349 -5.359 45 HA GLN 10 HA GLN 10 -20.274 -13.205 -7.011 46 HB2 GLN 10 1HB GLN 10 -21.295 -11.307 -5.155 47 HB3 GLN 10 2HB GLN 10 -19.718 -11.762 -4.542 48 HG2 GLN 10 1HG GLN 10 -19.830 -11.297 -7.489 49 HG3 GLN 10 2HG GLN 10 -20.134 -9.877 -6.508 50 HE21 GLN 10 1HE2 GLN 10 -18.423 -8.720 -6.116 51 HE22 GLN 10 2HE2 GLN 10 -16.799 -9.276 -5.887 52 H LEU 11 H LEU 11 -18.460 -14.465 -6.776 53 HA LEU 11 HA LEU 11 -18.418 -16.342 -4.626 54 HB2 LEU 11 1HB LEU 11 -17.009 -15.891 -7.175 55 HB3 LEU 11 2HB LEU 11 -16.044 -16.646 -5.922 56 HG LEU 11 HG LEU 11 -18.761 -17.698 -6.732 57 HD11 LEU 11 1HD1 LEU 11 -17.197 -19.468 -7.917 58 HD12 LEU 11 2HD1 LEU 11 -17.718 -17.983 -8.747 59 HD13 LEU 11 3HD1 LEU 11 -16.093 -18.077 -8.026 60 HD21 LEU 11 1HD2 LEU 11 -18.405 -19.427 -5.334 61 HD22 LEU 11 2HD2 LEU 11 -16.656 -19.481 -5.663 62 HD23 LEU 11 3HD2 LEU 11 -17.310 -18.280 -4.524 63 H GLY 12 H GLY 12 -16.141 -13.740 -5.755 64 HA2 GLY 12 1HA GLY 12 -15.705 -12.401 -3.479 65 HA3 GLY 12 2HA GLY 12 -14.743 -13.840 -3.213 66 H SER 13 H SER 13 -12.729 -12.711 -3.296 67 HA SER 13 HA SER 13 -12.111 -11.698 -5.961 68 HB2 SER 13 1HB SER 13 -11.521 -10.655 -3.237 69 HB3 SER 13 2HB SER 13 -10.159 -10.615 -4.339 70 HG SER 13 HG SER 13 -12.590 -9.716 -5.449 71 H ARG 14 H ARG 14 -9.926 -12.178 -6.783 72 HA ARG 14 HA ARG 14 -9.109 -14.761 -5.935 73 HB2 ARG 14 1HB ARG 14 -8.093 -12.844 -8.086 74 HB3 ARG 14 2HB ARG 14 -7.363 -14.412 -7.811 75 HG2 ARG 14 1HG ARG 14 -10.277 -14.652 -7.991 76 HG3 ARG 14 2HG ARG 14 -9.637 -13.844 -9.409 77 HD2 ARG 14 1HD ARG 14 -9.506 -16.140 -9.990 78 HD3 ARG 14 2HD ARG 14 -7.870 -15.764 -9.490 79 HE ARG 14 HE ARG 14 -8.980 -16.588 -7.128 80 HH11 ARG 14 2HH2 ARG 14 -9.003 -18.002 -10.350 81 HH12 ARG 14 1HH2 ARG 14 -9.113 -19.632 -9.773 82 HH21 ARG 14 2HH1 ARG 14 -9.125 -18.738 -6.366 83 HH22 ARG 14 1HH1 ARG 14 -9.183 -20.053 -7.491 84 H GLY 15 H GLY 15 -8.506 -11.660 -4.800 85 HA2 GLY 15 1HA GLY 15 -6.405 -12.412 -3.107 86 HA3 GLY 15 2HA GLY 15 -5.716 -11.570 -4.480 87 H ARG 16 H ARG 16 -5.287 -10.265 -2.206 88 HA ARG 16 HA ARG 16 -7.043 -8.012 -2.479 89 HB2 ARG 16 1HB ARG 16 -6.509 -9.301 0.247 90 HB3 ARG 16 2HB ARG 16 -7.391 -7.808 -0.011 91 HG2 ARG 16 1HG ARG 16 -8.222 -10.497 -1.199 92 HG3 ARG 16 2HG ARG 16 -8.864 -9.854 0.299 93 HD2 ARG 16 1HD ARG 16 -8.991 -7.885 -1.899 94 HD3 ARG 16 2HD ARG 16 -9.867 -9.354 -2.278 95 HE ARG 16 HE ARG 16 -10.541 -8.621 0.391 96 HH11 ARG 16 2HH2 ARG 16 -10.982 -7.422 -2.888 97 HH12 ARG 16 1HH2 ARG 16 -12.468 -6.608 -2.527 98 HH21 ARG 16 2HH1 ARG 16 -12.502 -7.548 0.868 99 HH22 ARG 16 1HH1 ARG 16 -13.338 -6.681 -0.377 100 H LEU 17 H LEU 17 -5.851 -6.102 -2.339 101 HA LEU 17 HA LEU 17 -3.028 -6.394 -1.820 102 HB2 LEU 17 1HB LEU 17 -4.739 -4.117 -2.817 103 HB3 LEU 17 2HB LEU 17 -3.016 -3.974 -2.530 104 HG LEU 17 HG LEU 17 -3.859 -6.223 -4.279 105 HD11 LEU 17 1HD1 LEU 17 -3.693 -3.615 -5.682 106 HD12 LEU 17 2HD1 LEU 17 -4.662 -5.064 -6.044 107 HD13 LEU 17 3HD1 LEU 17 -5.189 -3.936 -4.773 108 HD21 LEU 17 1HD2 LEU 17 -1.665 -4.147 -4.533 109 HD22 LEU 17 2HD2 LEU 17 -1.496 -5.737 -3.750 110 HD23 LEU 17 3HD2 LEU 17 -1.848 -5.636 -5.492 111 H TRP 18 H TRP 18 -1.873 -5.483 -0.114 112 HA TRP 18 HA TRP 18 -3.112 -3.695 1.715 113 HB2 TRP 18 1HB TRP 18 -2.973 -5.238 3.682 114 HB3 TRP 18 2HB TRP 18 -4.302 -5.523 2.576 115 HD1 TRP 18 HD TRP 18 -4.219 -7.848 1.146 116 HE1 TRP 18 1HE TRP 18 -2.928 -10.134 1.406 117 HE3 TRP 18 3HE TRP 18 -0.749 -6.118 4.436 118 HZ2 TRP 18 2HZ TRP 18 -0.651 -10.945 2.924 119 HZ3 TRP 18 3HZ TRP 18 0.973 -7.722 5.259 120 HH2 TRP 18 HH TRP 18 1.058 -10.061 4.555 121 H LEU 19 H LEU 19 -1.502 -2.890 3.242 122 HA LEU 19 HA LEU 19 1.187 -3.377 2.268 123 HB2 LEU 19 1HB LEU 19 0.130 -1.328 4.219 124 HB3 LEU 19 2HB LEU 19 1.759 -1.397 3.578 125 HG LEU 19 HG LEU 19 0.952 0.157 2.156 126 HD11 LEU 19 1HD1 LEU 19 1.521 -1.651 0.674 127 HD12 LEU 19 2HD1 LEU 19 -0.096 -2.373 0.860 128 HD13 LEU 19 3HD1 LEU 19 0.090 -0.808 0.034 129 HD21 LEU 19 1HD2 LEU 19 -1.232 0.232 3.367 130 HD22 LEU 19 2HD2 LEU 19 -1.346 0.571 1.623 131 HD23 LEU 19 3HD2 LEU 19 -1.837 -1.019 2.255 132 H GLN 20 H GLN 20 2.928 -4.066 3.598 133 HA GLN 20 HA GLN 20 2.026 -5.237 6.113 134 HB2 GLN 20 1HB GLN 20 2.484 -6.906 4.239 135 HB3 GLN 20 2HB GLN 20 4.162 -6.403 4.278 136 HG2 GLN 20 1HG GLN 20 4.410 -7.137 6.594 137 HG3 GLN 20 2HG GLN 20 2.687 -7.416 6.749 138 HE21 GLN 20 1HE2 GLN 20 2.876 -9.549 7.271 139 HE22 GLN 20 2HE2 GLN 20 3.358 -10.786 6.159 140 H SER 21 H SER 21 2.850 -3.881 7.670 141 HA SER 21 HA SER 21 5.425 -2.694 7.200 142 HB2 SER 21 1HB SER 21 4.650 -1.921 9.749 143 HB3 SER 21 2HB SER 21 4.322 -1.029 8.276 144 HG SER 21 HG SER 21 2.437 -1.593 9.742 145 HA PRO 22 HA PRO 22 7.406 -5.744 9.623 146 HB2 PRO 22 1HB PRO 22 9.900 -4.632 9.747 147 HB3 PRO 22 2HB PRO 22 9.338 -5.577 8.382 148 HG2 PRO 22 1HG PRO 22 9.672 -2.647 8.596 149 HG3 PRO 22 2HG PRO 22 9.529 -3.633 7.154 150 HD2 PRO 22 1HD PRO 22 7.487 -1.989 8.317 151 HD3 PRO 22 2HD PRO 22 7.312 -3.064 6.945 152 H THR 23 H THR 23 7.142 -6.234 11.701 153 HA THR 23 HA THR 23 6.570 -5.663 13.829 154 HB THR 23 HB THR 23 9.493 -4.899 13.386 155 HG1 THR 23 1HG THR 23 8.054 -7.093 14.698 156 HG21 THR 23 1HG2 THR 23 9.201 -5.734 16.039 157 HG22 THR 23 2HG2 THR 23 9.477 -4.052 15.524 158 HG23 THR 23 3HG2 THR 23 7.821 -4.631 15.821 159 H GLY 24 H GLY 24 5.572 -3.663 12.034 160 HA2 GLY 24 1HA GLY 24 6.273 -1.063 12.960 161 HA3 GLY 24 2HA GLY 24 4.885 -1.514 11.990 162 H GLY 25 H GLY 25 3.374 -3.204 13.497 163 HA2 GLY 25 1HA GLY 25 2.821 -3.304 15.969 164 HA3 GLY 25 2HA GLY 25 2.731 -1.557 15.863 165 HA PRO 26 HA PRO 26 -1.178 -1.790 13.922 166 HB2 PRO 26 1HB PRO 26 -1.094 -0.544 11.491 167 HB3 PRO 26 2HB PRO 26 -1.152 0.324 13.012 168 HG2 PRO 26 1HG PRO 26 1.144 -0.077 11.193 169 HG3 PRO 26 2HG PRO 26 0.946 1.112 12.466 170 HD2 PRO 26 1HD PRO 26 2.529 -1.278 12.579 171 HD3 PRO 26 2HD PRO 26 2.239 -0.150 13.888 172 HA PRO 27 HA PRO 27 -1.724 -5.224 11.491 173 HB2 PRO 27 1HB PRO 27 -4.391 -5.104 10.911 174 HB3 PRO 27 2HB PRO 27 -3.768 -5.706 12.434 175 HG2 PRO 27 1HG PRO 27 -5.069 -3.115 11.858 176 HG3 PRO 27 2HG PRO 27 -4.830 -3.904 13.405 177 HD2 PRO 27 1HD PRO 27 -3.334 -1.692 12.356 178 HD3 PRO 27 2HD PRO 27 -3.021 -2.556 13.849 179 HA PRO 28 HA PRO 28 -1.622 -4.401 7.326 180 HB2 PRO 28 1HB PRO 28 -2.793 -6.548 6.107 181 HB3 PRO 28 2HB PRO 28 -1.154 -6.574 6.726 182 HG2 PRO 28 1HG PRO 28 -3.585 -7.811 7.865 183 HG3 PRO 28 2HG PRO 28 -1.905 -8.167 8.215 184 HD2 PRO 28 1HD PRO 28 -3.715 -6.654 9.847 185 HD3 PRO 28 2HD PRO 28 -2.007 -6.912 10.139 186 H ILE 29 H ILE 29 -2.567 -2.637 6.526 187 HA ILE 29 HA ILE 29 -5.418 -2.478 6.680 188 HB ILE 29 HB ILE 29 -3.225 -0.691 5.671 189 HG12 ILE 29 1HG1 ILE 29 -4.850 0.627 7.521 190 HG13 ILE 29 2HG1 ILE 29 -4.746 -1.010 8.139 191 HG21 ILE 29 1HG2 ILE 29 -6.185 -0.442 5.215 192 HG22 ILE 29 2HG2 ILE 29 -5.172 1.008 5.417 193 HG23 ILE 29 3HG2 ILE 29 -4.832 -0.139 4.098 194 HD11 ILE 29 1HD1 ILE 29 -2.123 -0.538 7.359 195 HD12 ILE 29 2HD1 ILE 29 -2.645 1.063 7.938 196 HD13 ILE 29 3HD1 ILE 29 -2.747 -0.350 9.016 197 H PHE 30 H PHE 30 -6.861 -3.210 5.217 198 HA PHE 30 HA PHE 30 -5.809 -4.222 2.714 199 HB2 PHE 30 1HB PHE 30 -8.391 -4.351 4.344 200 HB3 PHE 30 2HB PHE 30 -8.423 -4.854 2.666 201 HD1 PHE 30 1HD PHE 30 -7.115 -5.631 6.002 202 HD2 PHE 30 2HD PHE 30 -7.357 -6.903 1.961 203 HE1 PHE 30 1HE PHE 30 -6.297 -7.909 6.669 204 HE2 PHE 30 2HE PHE 30 -6.540 -9.180 2.628 205 HZ PHE 30 HZ PHE 30 -6.020 -9.656 4.974 206 H LEU 31 H LEU 31 -5.538 -2.655 1.162 207 HA LEU 31 HA LEU 31 -6.964 -0.292 1.024 208 HB2 LEU 31 1HB LEU 31 -5.909 -1.596 -1.448 209 HB3 LEU 31 2HB LEU 31 -5.861 0.087 -0.960 210 HG LEU 31 HG LEU 31 -4.072 -2.180 -0.135 211 HD11 LEU 31 1HD1 LEU 31 -2.461 -0.069 -0.467 212 HD12 LEU 31 2HD1 LEU 31 -2.991 -1.106 -1.813 213 HD13 LEU 31 3HD1 LEU 31 -3.810 0.444 -1.508 214 HD21 LEU 31 1HD2 LEU 31 -3.977 -1.519 1.981 215 HD22 LEU 31 2HD2 LEU 31 -3.318 0.036 1.417 216 HD23 LEU 31 3HD2 LEU 31 -5.071 -0.152 1.659 217 HA PRO 32 HA PRO 32 -10.731 -1.330 -0.806 218 HB2 PRO 32 1HB PRO 32 -11.286 0.820 -2.400 219 HB3 PRO 32 2HB PRO 32 -11.516 0.830 -0.663 220 HG2 PRO 32 1HG PRO 32 -9.383 2.113 -2.258 221 HG3 PRO 32 2HG PRO 32 -9.875 2.450 -0.610 222 HD2 PRO 32 1HD PRO 32 -7.557 0.979 -1.443 223 HD3 PRO 32 2HD PRO 32 -8.112 1.218 0.202 224 H SER 33 H SER 33 -12.059 -1.690 -2.840 225 HA SER 33 HA SER 33 -10.129 -2.590 -4.833 226 HB2 SER 33 1HB SER 33 -11.655 -4.394 -5.387 227 HB3 SER 33 2HB SER 33 -11.410 -4.401 -3.652 228 HG SER 33 HG SER 33 -13.449 -3.088 -3.528 229 H ASP 34 H ASP 34 -12.964 -0.643 -4.103 230 HA ASP 34 HA ASP 34 -13.874 -0.453 -6.764 231 HB2 ASP 34 1HB ASP 34 -14.323 1.354 -4.342 232 HB3 ASP 34 2HB ASP 34 -15.209 1.490 -5.847 233 H GLY 35 H GLY 35 -11.241 -0.034 -7.145 234 HA2 GLY 35 1HA GLY 35 -9.543 1.453 -7.515 235 HA3 GLY 35 2HA GLY 35 -10.788 2.168 -8.519 236 H GLN 36 H GLN 36 -10.780 2.014 -4.916 237 HA GLN 36 HA GLN 36 -11.171 4.847 -4.878 238 HB2 GLN 36 1HB GLN 36 -11.737 2.595 -3.138 239 HB3 GLN 36 2HB GLN 36 -10.881 3.823 -2.226 240 HG2 GLN 36 1HG GLN 36 -12.720 5.312 -3.740 241 HG3 GLN 36 2HG GLN 36 -13.623 3.872 -3.315 242 HE21 GLN 36 1HE2 GLN 36 -14.488 3.709 -1.376 243 HE22 GLN 36 2HE2 GLN 36 -14.172 4.729 -0.012 244 H ALA 37 H ALA 37 -9.928 5.975 -2.838 245 HA ALA 37 HA ALA 37 -7.096 5.231 -3.091 246 HB1 ALA 37 1HB ALA 37 -8.353 7.531 -4.131 247 HB2 ALA 37 2HB ALA 37 -7.522 8.076 -2.654 248 HB3 ALA 37 3HB ALA 37 -6.605 7.255 -3.940 249 H LEU 38 H LEU 38 -6.220 4.735 -1.148 250 HA LEU 38 HA LEU 38 -7.662 5.660 1.222 251 HB2 LEU 38 1HB LEU 38 -7.086 3.178 0.616 252 HB3 LEU 38 2HB LEU 38 -5.501 3.588 1.240 253 HG LEU 38 HG LEU 38 -6.483 4.203 3.404 254 HD11 LEU 38 1HD1 LEU 38 -8.918 3.479 3.783 255 HD12 LEU 38 2HD1 LEU 38 -8.624 5.019 2.940 256 HD13 LEU 38 3HD1 LEU 38 -9.081 3.570 2.013 257 HD21 LEU 38 1HD2 LEU 38 -6.770 1.488 2.230 258 HD22 LEU 38 2HD2 LEU 38 -5.800 2.054 3.611 259 HD23 LEU 38 3HD2 LEU 38 -7.547 1.776 3.806 260 H VAL 39 H VAL 39 -6.930 7.581 1.973 261 HA VAL 39 HA VAL 39 -4.270 8.443 1.438 262 HB VAL 39 HB VAL 39 -6.723 9.483 2.734 263 HG11 VAL 39 1HG1 VAL 39 -3.972 10.169 3.668 264 HG12 VAL 39 2HG1 VAL 39 -5.120 11.510 3.434 265 HG13 VAL 39 3HG1 VAL 39 -5.520 10.179 4.547 266 HG21 VAL 39 1HG2 VAL 39 -5.416 11.537 1.412 267 HG22 VAL 39 2HG2 VAL 39 -4.958 10.094 0.476 268 HG23 VAL 39 3HG2 VAL 39 -6.677 10.483 0.727 269 H LEU 40 H LEU 40 -2.447 8.208 2.657 270 HA LEU 40 HA LEU 40 -2.825 6.913 5.264 271 HB2 LEU 40 1HB LEU 40 -0.696 6.683 3.159 272 HB3 LEU 40 2HB LEU 40 -0.357 6.268 4.827 273 HG LEU 40 HG LEU 40 -2.296 4.950 2.927 274 HD11 LEU 40 1HD1 LEU 40 -0.490 3.678 2.606 275 HD12 LEU 40 2HD1 LEU 40 0.342 4.334 4.036 276 HD13 LEU 40 3HD1 LEU 40 -0.831 3.007 4.219 277 HD21 LEU 40 1HD2 LEU 40 -2.314 4.940 5.922 278 HD22 LEU 40 2HD2 LEU 40 -3.668 4.930 4.767 279 HD23 LEU 40 3HD2 LEU 40 -2.723 3.448 5.042 280 H GLY 41 H GLY 41 -0.778 7.404 6.747 281 HA2 GLY 41 1HA GLY 41 0.870 9.395 6.851 282 HA3 GLY 41 2HA GLY 41 -0.607 10.337 6.849 283 H ARG 42 H ARG 42 -0.088 11.143 8.999 284 HA ARG 42 HA ARG 42 0.473 9.542 11.134 285 HB2 ARG 42 1HB ARG 42 -0.319 12.307 10.659 286 HB3 ARG 42 2HB ARG 42 -1.138 11.714 12.090 287 HG2 ARG 42 1HG ARG 42 1.106 10.882 12.954 288 HG3 ARG 42 2HG ARG 42 1.872 11.648 11.576 289 HD2 ARG 42 1HD ARG 42 1.993 13.170 13.494 290 HD3 ARG 42 2HD ARG 42 0.921 13.863 12.293 291 HE ARG 42 HE ARG 42 -0.422 12.201 14.324 292 HH11 ARG 42 2HH2 ARG 42 0.594 15.439 13.394 293 HH12 ARG 42 1HH2 ARG 42 -0.544 16.232 14.431 294 HH21 ARG 42 2HH1 ARG 42 -1.924 13.247 15.692 295 HH22 ARG 42 1HH1 ARG 42 -1.986 14.977 15.747 296 H GLY 43 H GLY 43 -0.860 8.685 12.888 297 HA2 GLY 43 1HA GLY 43 -3.252 8.666 13.685 298 HA3 GLY 43 2HA GLY 43 -3.649 8.174 12.051 299 HA PRO 44 HA PRO 44 -2.678 4.437 14.524 300 HB2 PRO 44 1HB PRO 44 -5.153 3.280 14.557 301 HB3 PRO 44 2HB PRO 44 -4.537 4.262 15.871 302 HG2 PRO 44 1HG PRO 44 -6.552 4.958 13.823 303 HG3 PRO 44 2HG PRO 44 -6.237 5.736 15.362 304 HD2 PRO 44 1HD PRO 44 -5.453 6.680 12.769 305 HD3 PRO 44 2HD PRO 44 -5.039 7.395 14.315 306 H LEU 45 H LEU 45 -3.715 5.274 11.503 307 HA LEU 45 HA LEU 45 -4.202 2.823 10.326 308 HB2 LEU 45 1HB LEU 45 -2.892 5.292 9.177 309 HB3 LEU 45 2HB LEU 45 -3.504 3.946 8.236 310 HG LEU 45 HG LEU 45 -5.355 5.196 8.060 311 HD11 LEU 45 1HD1 LEU 45 -7.004 4.916 9.916 312 HD12 LEU 45 2HD1 LEU 45 -6.217 3.406 9.397 313 HD13 LEU 45 3HD1 LEU 45 -5.702 4.207 10.901 314 HD21 LEU 45 1HD2 LEU 45 -4.783 7.284 8.721 315 HD22 LEU 45 2HD2 LEU 45 -5.891 6.901 10.060 316 HD23 LEU 45 3HD2 LEU 45 -4.133 6.738 10.285 317 H THR 46 H THR 46 -1.051 4.643 10.375 318 HA THR 46 HA THR 46 0.273 2.020 10.149 319 HB THR 46 HB THR 46 2.065 3.290 8.966 320 HG1 THR 46 1HG THR 46 1.423 5.288 10.262 321 HG21 THR 46 1HG2 THR 46 0.751 2.853 7.130 322 HG22 THR 46 2HG2 THR 46 -0.744 3.242 8.013 323 HG23 THR 46 3HG2 THR 46 0.222 4.545 7.281 324 H GLN 47 H GLN 47 -0.694 3.955 12.495 325 HA GLN 47 HA GLN 47 -0.011 4.413 14.503 326 HB2 GLN 47 1HB GLN 47 2.004 2.253 13.814 327 HB3 GLN 47 2HB GLN 47 2.056 3.054 15.372 328 HG2 GLN 47 1HG GLN 47 -0.673 2.189 14.605 329 HG3 GLN 47 2HG GLN 47 0.458 0.856 14.726 330 HE21 GLN 47 1HE2 GLN 47 -1.778 1.409 16.412 331 HE22 GLN 47 2HE2 GLN 47 -1.205 1.643 18.030 332 H VAL 48 H VAL 48 1.089 5.873 12.074 333 HA VAL 48 HA VAL 48 3.715 6.703 12.934 334 HB VAL 48 HB VAL 48 1.883 7.385 10.643 335 HG11 VAL 48 1HG1 VAL 48 4.567 8.659 11.277 336 HG12 VAL 48 2HG1 VAL 48 3.652 8.862 9.763 337 HG13 VAL 48 3HG1 VAL 48 2.982 9.469 11.297 338 HG21 VAL 48 1HG2 VAL 48 4.698 6.439 10.319 339 HG22 VAL 48 2HG2 VAL 48 3.491 5.268 10.903 340 HG23 VAL 48 3HG2 VAL 48 3.251 6.092 9.343 341 H THR 49 H THR 49 4.160 8.404 14.251 342 HA THR 49 HA THR 49 1.963 10.306 14.737 343 HB THR 49 HB THR 49 2.691 10.306 17.118 344 HG1 THR 49 1HG THR 49 4.411 8.130 16.172 345 HG21 THR 49 1HG2 THR 49 2.080 7.625 15.821 346 HG22 THR 49 2HG2 THR 49 2.453 7.705 17.560 347 HG23 THR 49 3HG2 THR 49 1.056 8.594 16.908 348 H ASP 50 H ASP 50 4.721 10.000 13.101 349 HA ASP 50 HA ASP 50 6.292 12.049 14.169 350 HB2 ASP 50 1HB ASP 50 6.923 10.204 12.463 351 HB3 ASP 50 2HB ASP 50 6.156 11.202 11.244 352 H ARG 51 H ARG 51 6.206 14.305 13.777 353 HA ARG 51 HA ARG 51 3.829 15.338 12.791 354 HB2 ARG 51 1HB ARG 51 6.536 16.662 13.319 355 HB3 ARG 51 2HB ARG 51 5.080 17.566 12.951 356 HG2 ARG 51 1HG ARG 51 4.665 15.578 15.101 357 HG3 ARG 51 2HG ARG 51 5.907 16.748 15.500 358 HD2 ARG 51 1HD ARG 51 3.586 18.056 14.256 359 HD3 ARG 51 2HD ARG 51 3.109 17.133 15.667 360 HE ARG 51 HE ARG 51 4.610 19.590 15.679 361 HH11 ARG 51 2HH2 ARG 51 4.405 16.495 17.340 362 HH12 ARG 51 1HH2 ARG 51 5.052 17.105 18.826 363 HH21 ARG 51 2HH1 ARG 51 5.464 20.396 17.639 364 HH22 ARG 51 1HH1 ARG 51 5.659 19.339 18.998 365 H LYS 52 H LYS 52 7.007 14.652 11.333 366 HA LYS 52 HA LYS 52 6.784 16.279 9.077 367 HB2 LYS 52 1HB LYS 52 8.311 13.732 9.648 368 HB3 LYS 52 2HB LYS 52 8.435 14.576 8.117 369 HG2 LYS 52 1HG LYS 52 8.724 16.288 10.554 370 HG3 LYS 52 2HG LYS 52 10.009 15.126 10.296 371 HD2 LYS 52 1HD LYS 52 9.834 16.080 7.765 372 HD3 LYS 52 2HD LYS 52 9.209 17.484 8.607 373 HE2 LYS 52 1HE LYS 52 11.467 16.697 10.126 374 HE3 LYS 52 2HE LYS 52 11.967 16.491 8.459 375 HZ1 LYS 52 1HZ LYS 52 10.554 18.924 9.170 376 HZ2 LYS 52 2HZ LYS 52 12.117 18.783 9.619 377 HZ3 LYS 52 3HZ LYS 52 11.710 18.689 8.040 378 H CYS 53 H CYS 53 4.954 13.539 10.082 379 HA CYS 53 HA CYS 53 4.271 12.837 7.350 380 HB2 CYS 53 1HB CYS 53 4.407 11.393 9.803 381 HB3 CYS 53 2HB CYS 53 2.728 11.391 9.298 382 HG CYS 53 HG CYS 53 2.898 10.180 7.188 383 H SER 54 H SER 54 2.230 13.315 6.447 384 HA SER 54 HA SER 54 0.554 14.991 8.147 385 HB2 SER 54 1HB SER 54 1.475 15.236 5.335 386 HB3 SER 54 2HB SER 54 -0.237 15.544 5.549 387 HG SER 54 HG SER 54 0.676 16.928 7.496 388 H ARG 55 H ARG 55 -1.716 14.585 8.183 389 HA ARG 55 HA ARG 55 -2.595 12.114 8.141 390 HB2 ARG 55 1HB ARG 55 -3.792 14.721 8.124 391 HB3 ARG 55 2HB ARG 55 -4.715 13.754 6.992 392 HG2 ARG 55 1HG ARG 55 -4.530 11.939 8.999 393 HG3 ARG 55 2HG ARG 55 -4.371 13.397 9.958 394 HD2 ARG 55 1HD ARG 55 -6.565 13.998 9.643 395 HD3 ARG 55 2HD ARG 55 -6.544 13.564 7.945 396 HE ARG 55 HE ARG 55 -6.418 11.158 9.492 397 HH11 ARG 55 2HH2 ARG 55 -8.670 13.746 8.708 398 HH12 ARG 55 1HH2 ARG 55 -10.077 12.758 8.922 399 HH21 ARG 55 2HH1 ARG 55 -8.274 9.855 9.773 400 HH22 ARG 55 1HH1 ARG 55 -9.850 10.531 9.531 401 H ASN 56 H ASN 56 -2.547 14.334 5.280 402 HA ASN 56 HA ASN 56 -3.200 12.013 3.643 403 HB2 ASN 56 1HB ASN 56 -3.639 13.949 1.883 404 HB3 ASN 56 2HB ASN 56 -4.845 13.624 3.113 405 HD21 ASN 56 1HD2 ASN 56 -5.674 15.659 3.158 406 HD22 ASN 56 2HD2 ASN 56 -4.845 17.042 3.790 407 H GLN 57 H GLN 57 -0.640 11.839 4.309 408 HA GLN 57 HA GLN 57 1.127 13.572 3.045 409 HB2 GLN 57 1HB GLN 57 1.968 12.251 4.841 410 HB3 GLN 57 2HB GLN 57 1.364 10.758 4.151 411 HG2 GLN 57 1HG GLN 57 3.785 10.865 3.809 412 HG3 GLN 57 2HG GLN 57 2.988 10.986 2.253 413 HE21 GLN 57 1HE2 GLN 57 5.076 11.886 1.636 414 HE22 GLN 57 2HE2 GLN 57 5.372 13.582 1.826 415 H VAL 58 H VAL 58 -0.071 10.267 2.121 416 HA VAL 58 HA VAL 58 0.373 11.008 -0.663 417 HB VAL 58 HB VAL 58 1.353 8.722 -1.039 418 HG11 VAL 58 1HG1 VAL 58 3.418 9.909 0.634 419 HG12 VAL 58 2HG1 VAL 58 3.331 9.759 -1.137 420 HG13 VAL 58 3HG1 VAL 58 2.560 11.141 -0.322 421 HG21 VAL 58 1HG2 VAL 58 1.790 7.276 0.627 422 HG22 VAL 58 2HG2 VAL 58 2.399 8.554 1.705 423 HG23 VAL 58 3HG2 VAL 58 0.649 8.253 1.582 424 H GLU 59 H GLU 59 -0.835 9.543 -2.163 425 HA GLU 59 HA GLU 59 -3.162 8.489 -0.755 426 HB2 GLU 59 1HB GLU 59 -3.363 10.516 -2.395 427 HB3 GLU 59 2HB GLU 59 -3.142 9.335 -3.670 428 HG2 GLU 59 1HG GLU 59 -5.108 8.063 -2.913 429 HG3 GLU 59 2HG GLU 59 -5.281 9.092 -1.505 430 H LEU 60 H LEU 60 -3.338 6.293 -0.767 431 HA LEU 60 HA LEU 60 -1.878 4.862 -2.864 432 HB2 LEU 60 1HB LEU 60 -2.613 4.249 -0.031 433 HB3 LEU 60 2HB LEU 60 -2.393 2.927 -1.161 434 HG LEU 60 HG LEU 60 -0.128 4.419 -1.612 435 HD11 LEU 60 1HD1 LEU 60 -0.090 5.953 0.060 436 HD12 LEU 60 2HD1 LEU 60 -1.083 4.959 1.154 437 HD13 LEU 60 3HD1 LEU 60 0.646 4.591 0.940 438 HD21 LEU 60 1HD2 LEU 60 -0.359 1.956 -1.322 439 HD22 LEU 60 2HD2 LEU 60 1.058 2.652 -0.500 440 HD23 LEU 60 3HD2 LEU 60 -0.386 2.207 0.440 441 H ILE 61 H ILE 61 -2.938 3.604 -4.346 442 HA ILE 61 HA ILE 61 -5.802 3.187 -3.878 443 HB ILE 61 HB ILE 61 -4.465 4.299 -6.338 444 HG12 ILE 61 1HG1 ILE 61 -6.953 5.449 -5.198 445 HG13 ILE 61 2HG1 ILE 61 -5.512 5.620 -4.215 446 HG21 ILE 61 1HG2 ILE 61 -5.875 3.094 -7.574 447 HG22 ILE 61 2HG2 ILE 61 -6.798 2.555 -6.150 448 HG23 ILE 61 3HG2 ILE 61 -7.168 4.122 -6.909 449 HD11 ILE 61 1HD1 ILE 61 -5.098 6.194 -7.107 450 HD12 ILE 61 2HD1 ILE 61 -6.190 7.319 -6.264 451 HD13 ILE 61 3HD1 ILE 61 -4.526 7.085 -5.676 452 H ALA 62 H ALA 62 -6.301 1.066 -3.932 453 HA ALA 62 HA ALA 62 -4.315 -0.811 -4.751 454 HB1 ALA 62 1HB ALA 62 -6.934 -1.966 -4.355 455 HB2 ALA 62 2HB ALA 62 -5.487 -2.091 -3.326 456 HB3 ALA 62 3HB ALA 62 -6.627 -0.743 -3.098 457 H ASP 63 H ASP 63 -4.175 -1.989 -6.642 458 HA ASP 63 HA ASP 63 -6.342 -1.555 -8.537 459 HB2 ASP 63 1HB ASP 63 -3.480 -0.872 -8.765 460 HB3 ASP 63 2HB ASP 63 -4.009 -1.909 -10.075 461 HA PRO 64 HA PRO 64 -5.407 -5.974 -8.116 462 HB2 PRO 64 1HB PRO 64 -7.990 -6.867 -8.094 463 HB3 PRO 64 2HB PRO 64 -7.098 -6.480 -6.636 464 HG2 PRO 64 1HG PRO 64 -9.237 -4.932 -7.965 465 HG3 PRO 64 2HG PRO 64 -8.640 -4.794 -6.323 466 HD2 PRO 64 1HD PRO 64 -8.058 -3.037 -8.515 467 HD3 PRO 64 2HD PRO 64 -7.371 -2.967 -6.904 468 H GLU 65 H GLU 65 -6.434 -4.006 -10.475 469 HA GLU 65 HA GLU 65 -7.324 -5.982 -12.289 470 HB2 GLU 65 1HB GLU 65 -6.576 -3.057 -12.489 471 HB3 GLU 65 2HB GLU 65 -6.826 -3.986 -13.953 472 HG2 GLU 65 1HG GLU 65 -9.103 -4.604 -13.231 473 HG3 GLU 65 2HG GLU 65 -8.859 -3.826 -11.679 474 H SER 66 H SER 66 -4.207 -4.583 -11.338 475 HA SER 66 HA SER 66 -2.946 -6.494 -13.101 476 HB2 SER 66 1HB SER 66 -2.490 -3.499 -13.139 477 HB3 SER 66 2HB SER 66 -1.181 -4.585 -13.562 478 HG SER 66 HG SER 66 -3.792 -4.513 -14.819 479 H ARG 67 H ARG 67 -3.529 -5.867 -10.095 480 HA ARG 67 HA ARG 67 -2.542 -6.034 -8.180 481 HB2 ARG 67 1HB ARG 67 -0.681 -7.588 -9.974 482 HB3 ARG 67 2HB ARG 67 -0.132 -7.270 -8.341 483 HG2 ARG 67 1HG ARG 67 -1.672 -8.694 -7.399 484 HG3 ARG 67 2HG ARG 67 -2.949 -8.207 -8.495 485 HD2 ARG 67 1HD ARG 67 -2.448 -9.854 -10.039 486 HD3 ARG 67 2HD ARG 67 -0.720 -9.732 -9.772 487 HE ARG 67 HE ARG 67 -2.140 -10.849 -7.472 488 HH11 ARG 67 2HH2 ARG 67 -0.664 -11.608 -10.575 489 HH12 ARG 67 1HH2 ARG 67 -0.389 -13.272 -10.182 490 HH21 ARG 67 2HH1 ARG 67 -1.777 -13.045 -6.953 491 HH22 ARG 67 1HH1 ARG 67 -1.026 -14.095 -8.107 492 H THR 68 H THR 68 -2.266 -3.498 -9.187 493 HA THR 68 HA THR 68 0.487 -2.786 -8.419 494 HB THR 68 HB THR 68 0.032 -0.828 -10.116 495 HG1 THR 68 1HG THR 68 -1.660 -1.394 -11.595 496 HG21 THR 68 1HG2 THR 68 0.561 -2.310 -12.114 497 HG22 THR 68 2HG2 THR 68 1.650 -2.578 -10.732 498 HG23 THR 68 3HG2 THR 68 0.330 -3.727 -11.061 499 H VAL 69 H VAL 69 0.480 -0.227 -7.980 500 HA VAL 69 HA VAL 69 -1.945 0.615 -6.678 501 HB VAL 69 HB VAL 69 0.567 0.039 -5.094 502 HG11 VAL 69 1HG1 VAL 69 -1.693 1.845 -4.618 503 HG12 VAL 69 2HG1 VAL 69 -1.444 0.673 -3.301 504 HG13 VAL 69 3HG1 VAL 69 -0.114 1.744 -3.804 505 HG21 VAL 69 1HG2 VAL 69 -0.956 -1.482 -3.802 506 HG22 VAL 69 2HG2 VAL 69 -2.190 -1.227 -5.059 507 HG23 VAL 69 3HG2 VAL 69 -0.643 -2.003 -5.475 508 H ALA 70 H ALA 70 -2.116 2.817 -6.809 509 HA ALA 70 HA ALA 70 0.193 4.196 -7.928 510 HB1 ALA 70 1HB ALA 70 -1.445 5.063 -9.202 511 HB2 ALA 70 2HB ALA 70 -2.703 4.336 -8.173 512 HB3 ALA 70 3HB ALA 70 -2.026 5.929 -7.760 513 H VAL 71 H VAL 71 1.121 6.056 -6.964 514 HA VAL 71 HA VAL 71 0.219 6.584 -4.222 515 HB VAL 71 HB VAL 71 3.036 6.158 -5.228 516 HG11 VAL 71 1HG1 VAL 71 2.339 6.887 -2.385 517 HG12 VAL 71 2HG1 VAL 71 3.913 6.954 -3.212 518 HG13 VAL 71 3HG1 VAL 71 2.649 8.143 -3.607 519 HG21 VAL 71 1HG2 VAL 71 2.583 4.049 -4.609 520 HG22 VAL 71 2HG2 VAL 71 2.664 4.655 -2.937 521 HG23 VAL 71 3HG2 VAL 71 1.091 4.525 -3.761 522 H LYS 72 H LYS 72 -0.459 8.654 -4.087 523 HA LYS 72 HA LYS 72 0.961 10.611 -5.756 524 HB2 LYS 72 1HB LYS 72 -1.158 10.328 -6.784 525 HB3 LYS 72 2HB LYS 72 -2.001 10.302 -5.248 526 HG2 LYS 72 1HG LYS 72 -1.874 12.616 -4.968 527 HG3 LYS 72 2HG LYS 72 -0.371 12.754 -5.858 528 HD2 LYS 72 1HD LYS 72 -1.539 13.368 -7.698 529 HD3 LYS 72 2HD LYS 72 -2.282 11.782 -7.736 530 HE2 LYS 72 1HE LYS 72 -4.212 12.497 -6.589 531 HE3 LYS 72 2HE LYS 72 -3.386 13.830 -5.807 532 HZ1 LYS 72 1HZ LYS 72 -3.704 15.138 -7.571 533 HZ2 LYS 72 2HZ LYS 72 -3.473 13.957 -8.675 534 HZ3 LYS 72 3HZ LYS 72 -4.919 14.108 -7.931 535 H GLN 73 H GLN 73 2.034 12.098 -4.580 536 HA GLN 73 HA GLN 73 1.570 12.165 -1.772 537 HB2 GLN 73 1HB GLN 73 3.851 12.322 -2.357 538 HB3 GLN 73 2HB GLN 73 3.548 13.449 -3.665 539 HG2 GLN 73 1HG GLN 73 3.062 15.258 -2.101 540 HG3 GLN 73 2HG GLN 73 3.062 14.157 -0.737 541 HE21 GLN 73 1HE2 GLN 73 4.678 16.566 -1.470 542 HE22 GLN 73 2HE2 GLN 73 6.338 16.098 -1.308 543 H LEU 74 H LEU 74 0.108 13.468 -0.761 544 HA LEU 74 HA LEU 74 -0.689 15.905 -2.197 545 HB2 LEU 74 1HB LEU 74 -2.472 14.637 -0.179 546 HB3 LEU 74 2HB LEU 74 -2.869 15.606 -1.584 547 HG LEU 74 HG LEU 74 -1.630 13.049 -2.298 548 HD11 LEU 74 1HD1 LEU 74 -3.637 13.029 -0.209 549 HD12 LEU 74 2HD1 LEU 74 -4.214 12.188 -1.668 550 HD13 LEU 74 3HD1 LEU 74 -2.689 11.689 -0.897 551 HD21 LEU 74 1HD2 LEU 74 -2.665 14.415 -3.969 552 HD22 LEU 74 2HD2 LEU 74 -3.640 12.939 -3.777 553 HD23 LEU 74 3HD2 LEU 74 -4.193 14.470 -3.058 554 H GLY 75 H GLY 75 1.370 14.917 0.103 555 HA2 GLY 75 1HA GLY 75 0.583 16.861 2.154 556 HA3 GLY 75 2HA GLY 75 1.821 15.626 2.282 557 H VAL 76 H VAL 76 3.542 16.994 2.888 558 HA VAL 76 HA VAL 76 4.331 18.921 0.812 559 HB VAL 76 HB VAL 76 3.822 20.290 2.573 560 HG11 VAL 76 1HG1 VAL 76 4.902 18.220 4.516 561 HG12 VAL 76 2HG1 VAL 76 4.147 19.773 4.946 562 HG13 VAL 76 3HG1 VAL 76 3.185 18.507 4.146 563 HG21 VAL 76 1HG2 VAL 76 6.305 20.364 1.891 564 HG22 VAL 76 2HG2 VAL 76 5.834 21.181 3.400 565 HG23 VAL 76 3HG2 VAL 76 6.624 19.588 3.461 566 H ASN 77 H ASN 77 5.476 16.704 3.444 567 HA ASN 77 HA ASN 77 8.124 16.767 2.705 568 HB2 ASN 77 1HB ASN 77 6.776 14.262 3.797 569 HB3 ASN 77 2HB ASN 77 8.385 14.859 4.149 570 HD21 ASN 77 1HD2 ASN 77 8.711 16.113 5.849 571 HD22 ASN 77 2HD2 ASN 77 7.492 16.817 6.858 572 HA PRO 78 HA PRO 78 7.958 14.286 -0.923 573 HB2 PRO 78 1HB PRO 78 10.628 13.831 -1.290 574 HB3 PRO 78 2HB PRO 78 9.828 15.306 -1.798 575 HG2 PRO 78 1HG PRO 78 11.614 14.869 0.517 576 HG3 PRO 78 2HG PRO 78 11.156 16.378 -0.247 577 HD2 PRO 78 1HD PRO 78 10.149 15.331 2.227 578 HD3 PRO 78 2HD PRO 78 9.608 16.782 1.405 579 H SER 79 H SER 79 7.294 12.266 -1.275 580 HA SER 79 HA SER 79 8.277 10.375 0.686 581 HB2 SER 79 1HB SER 79 5.863 10.494 -1.132 582 HB3 SER 79 2HB SER 79 6.383 8.944 -0.501 583 HG SER 79 HG SER 79 5.429 9.446 1.338 584 H THR 80 H THR 80 8.812 8.108 -0.102 585 HA THR 80 HA THR 80 9.969 8.210 -2.811 586 HB THR 80 HB THR 80 11.064 6.922 -0.253 587 HG1 THR 80 1HG THR 80 11.295 9.255 -0.393 588 HG21 THR 80 1HG2 THR 80 11.793 5.644 -2.246 589 HG22 THR 80 2HG2 THR 80 12.195 7.157 -3.092 590 HG23 THR 80 3HG2 THR 80 13.139 6.655 -1.669 591 H VAL 81 H VAL 81 9.201 6.765 -4.214 592 HA VAL 81 HA VAL 81 7.654 4.551 -3.080 593 HB VAL 81 HB VAL 81 7.572 6.083 -5.663 594 HG11 VAL 81 1HG1 VAL 81 5.704 4.321 -6.229 595 HG12 VAL 81 2HG1 VAL 81 7.408 3.979 -6.611 596 HG13 VAL 81 3HG1 VAL 81 6.659 3.264 -5.163 597 HG21 VAL 81 1HG2 VAL 81 6.151 6.268 -3.286 598 HG22 VAL 81 2HG2 VAL 81 5.665 6.945 -4.859 599 HG23 VAL 81 3HG2 VAL 81 5.060 5.349 -4.352 600 H GLY 82 H GLY 82 9.532 3.260 -2.554 601 HA2 GLY 82 1HA GLY 82 10.594 1.307 -3.232 602 HA3 GLY 82 2HA GLY 82 10.547 1.837 -4.902 603 H VAL 83 H VAL 83 12.212 3.149 -5.760 604 HA VAL 83 HA VAL 83 14.337 3.860 -3.867 605 HB VAL 83 HB VAL 83 14.817 1.726 -5.060 606 HG11 VAL 83 1HG1 VAL 83 15.611 2.779 -7.594 607 HG12 VAL 83 2HG1 VAL 83 14.414 1.510 -7.241 608 HG13 VAL 83 3HG1 VAL 83 13.907 3.215 -7.323 609 HG21 VAL 83 1HG2 VAL 83 17.035 2.880 -6.175 610 HG22 VAL 83 2HG2 VAL 83 16.496 4.154 -5.056 611 HG23 VAL 83 3HG2 VAL 83 16.837 2.518 -4.444 612 H GLN 84 H GLN 84 11.969 5.179 -5.445 613 HA GLN 84 HA GLN 84 13.668 7.239 -6.620 614 HB2 GLN 84 1HB GLN 84 12.600 6.234 -8.496 615 HB3 GLN 84 2HB GLN 84 11.075 6.050 -7.651 616 HG2 GLN 84 1HG GLN 84 10.498 8.315 -7.896 617 HG3 GLN 84 2HG GLN 84 12.165 8.842 -8.010 618 HE21 GLN 84 1HE2 GLN 84 11.250 10.056 -9.829 619 HE22 GLN 84 2HE2 GLN 84 11.194 9.325 -11.398 620 H GLU 85 H GLU 85 13.205 9.377 -6.031 621 HA GLU 85 HA GLU 85 11.430 9.611 -3.799 622 HB2 GLU 85 1HB GLU 85 13.824 10.855 -4.597 623 HB3 GLU 85 2HB GLU 85 12.618 12.115 -4.773 624 HG2 GLU 85 1HG GLU 85 12.683 12.432 -2.531 625 HG3 GLU 85 2HG GLU 85 11.985 10.839 -2.317 626 H LEU 86 H LEU 86 9.583 11.011 -3.679 627 HA LEU 86 HA LEU 86 8.487 11.636 -6.325 628 HB2 LEU 86 1HB LEU 86 7.267 10.847 -3.702 629 HB3 LEU 86 2HB LEU 86 6.325 11.749 -4.873 630 HG LEU 86 HG LEU 86 7.485 8.977 -5.134 631 HD11 LEU 86 1HD1 LEU 86 5.381 8.838 -4.160 632 HD12 LEU 86 2HD1 LEU 86 4.726 10.176 -5.134 633 HD13 LEU 86 3HD1 LEU 86 5.040 8.596 -5.890 634 HD21 LEU 86 1HD2 LEU 86 8.087 9.881 -7.215 635 HD22 LEU 86 2HD2 LEU 86 6.538 9.055 -7.505 636 HD23 LEU 86 3HD2 LEU 86 6.585 10.827 -7.342 637 H LYS 87 H LYS 87 6.558 13.498 -5.691 638 HA LYS 87 HA LYS 87 7.907 15.602 -4.204 639 HB2 LYS 87 1HB LYS 87 7.810 15.469 -7.108 640 HB3 LYS 87 2HB LYS 87 6.979 16.893 -6.516 641 HG2 LYS 87 1HG LYS 87 8.918 17.688 -5.350 642 HG3 LYS 87 2HG LYS 87 9.711 16.128 -5.425 643 HD2 LYS 87 1HD LYS 87 9.311 16.671 -8.117 644 HD3 LYS 87 2HD LYS 87 9.575 18.280 -7.473 645 HE2 LYS 87 1HE LYS 87 11.626 17.148 -6.219 646 HE3 LYS 87 2HE LYS 87 11.449 15.897 -7.433 647 HZ1 LYS 87 1HZ LYS 87 12.936 17.864 -7.940 648 HZ2 LYS 87 2HZ LYS 87 11.904 17.387 -9.112 649 HZ3 LYS 87 3HZ LYS 87 11.566 18.709 -8.215 650 HA PRO 88 HA PRO 88 3.853 16.722 -3.210 651 HB2 PRO 88 1HB PRO 88 3.792 19.453 -3.255 652 HB3 PRO 88 2HB PRO 88 4.499 18.533 -1.943 653 HG2 PRO 88 1HG PRO 88 5.858 20.033 -4.097 654 HG3 PRO 88 2HG PRO 88 6.508 19.477 -2.567 655 HD2 PRO 88 1HD PRO 88 6.945 18.302 -5.147 656 HD3 PRO 88 2HD PRO 88 7.499 17.680 -3.605 657 H GLY 89 H GLY 89 2.153 16.063 -4.356 658 HA2 GLY 89 1HA GLY 89 0.369 16.627 -5.739 659 HA3 GLY 89 2HA GLY 89 1.343 17.852 -6.528 660 H LEU 90 H LEU 90 3.350 15.173 -6.171 661 HA LEU 90 HA LEU 90 3.025 14.512 -8.959 662 HB2 LEU 90 1HB LEU 90 5.191 14.842 -7.445 663 HB3 LEU 90 2HB LEU 90 4.969 13.124 -7.183 664 HG LEU 90 HG LEU 90 5.286 12.606 -9.466 665 HD11 LEU 90 1HD1 LEU 90 4.540 15.446 -9.910 666 HD12 LEU 90 2HD1 LEU 90 5.729 14.741 -11.032 667 HD13 LEU 90 3HD1 LEU 90 4.130 13.984 -10.839 668 HD21 LEU 90 1HD2 LEU 90 7.497 12.988 -9.572 669 HD22 LEU 90 2HD2 LEU 90 7.308 14.754 -9.453 670 HD23 LEU 90 3HD2 LEU 90 7.257 13.752 -7.982 671 H SER 91 H SER 91 3.480 11.917 -9.310 672 HA SER 91 HA SER 91 1.955 10.367 -7.467 673 HB2 SER 91 1HB SER 91 0.753 9.854 -10.046 674 HB3 SER 91 2HB SER 91 -0.028 10.312 -8.546 675 HG SER 91 HG SER 91 -0.016 12.432 -9.114 676 H GLY 92 H GLY 92 2.614 8.201 -7.564 677 HA2 GLY 92 1HA GLY 92 4.223 7.414 -9.914 678 HA3 GLY 92 2HA GLY 92 4.798 7.161 -8.278 679 H SER 93 H SER 93 4.834 4.830 -9.125 680 HA SER 93 HA SER 93 2.240 3.666 -8.509 681 HB2 SER 93 1HB SER 93 2.737 1.890 -10.256 682 HB3 SER 93 2HB SER 93 2.377 3.479 -10.901 683 HG SER 93 HG SER 93 4.287 3.469 -11.850 684 H LEU 94 H LEU 94 2.397 1.434 -7.621 685 HA LEU 94 HA LEU 94 5.100 0.770 -6.703 686 HB2 LEU 94 1HB LEU 94 2.906 1.696 -5.114 687 HB3 LEU 94 2HB LEU 94 3.231 0.023 -4.704 688 HG LEU 94 HG LEU 94 5.759 1.267 -4.811 689 HD11 LEU 94 1HD1 LEU 94 4.606 3.445 -4.758 690 HD12 LEU 94 2HD1 LEU 94 3.805 2.971 -3.241 691 HD13 LEU 94 3HD1 LEU 94 5.575 3.151 -3.294 692 HD21 LEU 94 1HD2 LEU 94 5.682 0.887 -2.322 693 HD22 LEU 94 2HD2 LEU 94 3.989 0.378 -2.525 694 HD23 LEU 94 3HD2 LEU 94 5.293 -0.530 -3.327 695 H SER 95 H SER 95 5.653 -1.336 -7.029 696 HA SER 95 HA SER 95 3.536 -3.006 -8.089 697 HB2 SER 95 1HB SER 95 5.698 -4.481 -8.608 698 HB3 SER 95 2HB SER 95 5.256 -3.128 -9.630 699 HG SER 95 HG SER 95 7.458 -3.442 -7.925 700 H LEU 96 H LEU 96 3.592 -5.396 -7.451 701 HA LEU 96 HA LEU 96 3.332 -5.679 -4.726 702 HB2 LEU 96 1HB LEU 96 3.297 -7.371 -7.095 703 HB3 LEU 96 2HB LEU 96 3.916 -8.217 -5.690 704 HG LEU 96 HG LEU 96 1.270 -6.740 -5.765 705 HD11 LEU 96 1HD1 LEU 96 1.910 -9.665 -6.193 706 HD12 LEU 96 2HD1 LEU 96 0.288 -9.061 -5.778 707 HD13 LEU 96 3HD1 LEU 96 1.069 -8.548 -7.293 708 HD21 LEU 96 1HD2 LEU 96 2.606 -7.181 -3.546 709 HD22 LEU 96 2HD2 LEU 96 0.851 -7.466 -3.628 710 HD23 LEU 96 3HD2 LEU 96 1.982 -8.836 -3.748 711 H GLY 97 H GLY 97 4.881 -5.292 -3.230 712 HA2 GLY 97 1HA GLY 97 6.754 -6.394 -2.146 713 HA3 GLY 97 2HA GLY 97 7.531 -6.518 -3.712 714 H ASP 98 H ASP 98 6.800 -3.868 -4.720 715 HA ASP 98 HA ASP 98 8.937 -2.436 -3.982 716 HB2 ASP 98 1HB ASP 98 6.202 -1.666 -5.016 717 HB3 ASP 98 2HB ASP 98 7.319 -0.386 -4.588 718 H VAL 99 H VAL 99 9.260 -0.574 -2.511 719 HA VAL 99 HA VAL 99 7.511 -0.734 -0.173 720 HB VAL 99 HB VAL 99 10.280 0.434 -0.526 721 HG11 VAL 99 1HG1 VAL 99 8.557 0.035 1.940 722 HG12 VAL 99 2HG1 VAL 99 10.297 0.411 1.983 723 HG13 VAL 99 3HG1 VAL 99 9.153 1.572 1.268 724 HG21 VAL 99 1HG2 VAL 99 9.307 -2.245 0.481 725 HG22 VAL 99 2HG2 VAL 99 10.533 -1.896 -0.761 726 HG23 VAL 99 3HG2 VAL 99 10.888 -1.577 0.954 727 H LEU 100 H LEU 100 7.167 1.428 1.004 728 HA LEU 100 HA LEU 100 7.116 3.695 -0.806 729 HB2 LEU 100 1HB LEU 100 5.027 2.681 -1.324 730 HB3 LEU 100 2HB LEU 100 4.649 2.422 0.367 731 HG LEU 100 HG LEU 100 4.499 4.879 0.697 732 HD11 LEU 100 1HD1 LEU 100 6.025 5.251 -1.412 733 HD12 LEU 100 2HD1 LEU 100 4.466 5.293 -2.269 734 HD13 LEU 100 3HD1 LEU 100 4.790 6.447 -0.952 735 HD21 LEU 100 1HD2 LEU 100 2.404 5.165 -0.779 736 HD22 LEU 100 2HD2 LEU 100 2.720 3.493 -1.299 737 HD23 LEU 100 3HD2 LEU 100 2.427 3.850 0.420 738 H TYR 101 H TYR 101 8.767 4.501 0.611 739 HA TYR 101 HA TYR 101 8.497 4.604 3.385 740 HB2 TYR 101 1HB TYR 101 9.854 6.433 1.306 741 HB3 TYR 101 2HB TYR 101 10.233 6.475 3.016 742 HD1 TYR 101 1HD TYR 101 11.298 4.449 4.098 743 HD2 TYR 101 2HD TYR 101 10.844 4.816 -0.140 744 HE1 TYR 101 1HE TYR 101 13.056 2.646 3.746 745 HE2 TYR 101 2HE TYR 101 12.604 3.012 -0.478 746 HH TYR 101 HH TYR 101 14.660 2.023 1.955 747 H LEU 102 H LEU 102 6.589 5.391 4.253 748 HA LEU 102 HA LEU 102 4.919 7.254 3.341 749 HB2 LEU 102 1HB LEU 102 5.513 6.046 5.835 750 HB3 LEU 102 2HB LEU 102 5.296 7.759 6.135 751 HG LEU 102 HG LEU 102 3.204 6.777 4.386 752 HD11 LEU 102 1HD1 LEU 102 3.797 5.174 6.854 753 HD12 LEU 102 2HD1 LEU 102 2.112 5.435 6.340 754 HD13 LEU 102 3HD1 LEU 102 3.264 4.635 5.243 755 HD21 LEU 102 1HD2 LEU 102 1.756 7.816 6.020 756 HD22 LEU 102 2HD2 LEU 102 3.086 7.895 7.200 757 HD23 LEU 102 3HD2 LEU 102 3.160 8.865 5.710 758 H VAL 103 H VAL 103 7.781 8.043 5.442 759 HA VAL 103 HA VAL 103 8.351 10.349 3.881 760 HB VAL 103 HB VAL 103 6.368 11.098 5.179 761 HG11 VAL 103 1HG1 VAL 103 8.191 10.643 7.565 762 HG12 VAL 103 2HG1 VAL 103 6.658 11.547 7.608 763 HG13 VAL 103 3HG1 VAL 103 6.657 9.811 7.214 764 HG21 VAL 103 1HG2 VAL 103 8.737 12.636 6.208 765 HG22 VAL 103 2HG2 VAL 103 8.444 12.533 4.455 766 HG23 VAL 103 3HG2 VAL 103 7.204 13.230 5.525 767 H ASN 104 H ASN 104 10.159 11.678 5.142 768 HA ASN 104 HA ASN 104 12.246 11.557 5.762 769 HB2 ASN 104 1HB ASN 104 10.592 10.869 7.981 770 HB3 ASN 104 2HB ASN 104 11.948 9.762 8.069 771 HD21 ASN 104 1HD2 ASN 104 10.873 13.041 8.258 772 HD22 ASN 104 2HD2 ASN 104 12.336 13.767 8.834 773 H GLY 105 H GLY 105 11.463 9.472 3.864 774 HA2 GLY 105 1HA GLY 105 12.078 7.466 3.039 775 HA3 GLY 105 2HA GLY 105 13.646 7.860 3.715 776 H LEU 106 H LEU 106 10.903 7.571 5.922 777 HA LEU 106 HA LEU 106 11.931 4.940 6.734 778 HB2 LEU 106 1HB LEU 106 11.071 7.311 8.372 779 HB3 LEU 106 2HB LEU 106 11.061 5.689 9.035 780 HG LEU 106 HG LEU 106 13.483 7.145 7.937 781 HD11 LEU 106 1HD1 LEU 106 14.024 6.621 10.554 782 HD12 LEU 106 2HD1 LEU 106 13.382 8.162 9.936 783 HD13 LEU 106 3HD1 LEU 106 12.275 6.947 10.619 784 HD21 LEU 106 1HD2 LEU 106 13.889 4.880 7.490 785 HD22 LEU 106 2HD2 LEU 106 14.705 5.187 9.042 786 HD23 LEU 106 3HD2 LEU 106 13.136 4.348 9.013 787 H TYR 107 H TYR 107 9.945 4.220 8.535 788 HA TYR 107 HA TYR 107 8.034 3.066 8.442 789 HB2 TYR 107 1HB TYR 107 6.836 5.558 7.153 790 HB3 TYR 107 2HB TYR 107 6.181 4.615 8.476 791 HD1 TYR 107 1HD TYR 107 8.065 4.549 10.564 792 HD2 TYR 107 2HD TYR 107 7.391 7.716 7.767 793 HE1 TYR 107 1HE TYR 107 9.015 6.226 12.222 794 HE2 TYR 107 2HE TYR 107 8.343 9.382 9.435 795 HH TYR 107 HH TYR 107 10.073 9.146 11.425 796 HA PRO 108 HA PRO 108 8.077 2.462 3.899 797 HB2 PRO 108 1HB PRO 108 9.456 0.106 3.773 798 HB3 PRO 108 2HB PRO 108 10.207 1.670 3.527 799 HG2 PRO 108 1HG PRO 108 10.363 -0.111 5.881 800 HG3 PRO 108 2HG PRO 108 11.415 1.219 5.439 801 HD2 PRO 108 1HD PRO 108 9.373 1.241 7.454 802 HD3 PRO 108 2HD PRO 108 10.346 2.603 6.932 803 H LEU 109 H LEU 109 6.343 1.630 2.894 804 HA LEU 109 HA LEU 109 5.042 -0.510 4.427 805 HB2 LEU 109 1HB LEU 109 3.952 1.755 2.777 806 HB3 LEU 109 2HB LEU 109 2.993 0.328 3.115 807 HG LEU 109 HG LEU 109 2.455 2.114 4.665 808 HD11 LEU 109 1HD1 LEU 109 2.720 -0.436 5.334 809 HD12 LEU 109 2HD1 LEU 109 3.962 0.229 6.422 810 HD13 LEU 109 3HD1 LEU 109 2.283 0.809 6.529 811 HD21 LEU 109 1HD2 LEU 109 4.656 3.265 4.565 812 HD22 LEU 109 2HD2 LEU 109 4.029 3.063 6.218 813 HD23 LEU 109 3HD2 LEU 109 5.327 2.000 5.622 814 H THR 110 H THR 110 5.442 -2.469 3.553 815 HA THR 110 HA THR 110 6.119 -2.669 0.754 816 HB THR 110 HB THR 110 5.776 -4.793 2.937 817 HG1 THR 110 1HG THR 110 7.711 -3.932 3.579 818 HG21 THR 110 1HG2 THR 110 7.756 -5.717 1.375 819 HG22 THR 110 2HG2 THR 110 6.056 -6.067 0.978 820 HG23 THR 110 3HG2 THR 110 6.916 -4.757 0.134 821 H LEU 111 H LEU 111 4.844 -3.232 -0.913 822 HA LEU 111 HA LEU 111 2.035 -3.487 -0.353 823 HB2 LEU 111 1HB LEU 111 2.778 -2.069 -2.153 824 HB3 LEU 111 2HB LEU 111 3.636 -3.396 -2.911 825 HG LEU 111 HG LEU 111 1.517 -4.540 -3.375 826 HD11 LEU 111 1HD1 LEU 111 0.143 -2.102 -2.211 827 HD12 LEU 111 2HD1 LEU 111 -0.631 -3.531 -2.938 828 HD13 LEU 111 3HD1 LEU 111 0.269 -3.687 -1.410 829 HD21 LEU 111 1HD2 LEU 111 0.897 -3.252 -5.210 830 HD22 LEU 111 2HD2 LEU 111 1.191 -1.715 -4.362 831 HD23 LEU 111 3HD2 LEU 111 2.564 -2.722 -4.880 832 H ARG 112 H ARG 112 0.972 -5.364 -0.034 833 HA ARG 112 HA ARG 112 2.295 -7.747 -1.061 834 HB2 ARG 112 1HB ARG 112 0.709 -7.344 1.519 835 HB3 ARG 112 2HB ARG 112 1.088 -8.936 0.894 836 HG2 ARG 112 1HG ARG 112 3.196 -6.807 1.486 837 HG3 ARG 112 2HG ARG 112 2.736 -8.058 2.623 838 HD2 ARG 112 1HD ARG 112 3.382 -9.807 0.921 839 HD3 ARG 112 2HD ARG 112 3.903 -8.532 -0.163 840 HE ARG 112 HE ARG 112 5.310 -7.946 2.126 841 HH11 ARG 112 2HH2 ARG 112 4.909 -10.908 0.269 842 HH12 ARG 112 1HH2 ARG 112 6.465 -11.538 0.696 843 HH21 ARG 112 2HH1 ARG 112 7.363 -8.776 2.690 844 HH22 ARG 112 1HH1 ARG 112 7.870 -10.317 2.083 845 H TRP 113 H TRP 113 0.691 -9.620 -1.464 846 HA TRP 113 HA TRP 113 -1.982 -8.607 -2.114 847 HB2 TRP 113 1HB TRP 113 -1.000 -8.472 -4.210 848 HB3 TRP 113 2HB TRP 113 0.000 -9.889 -3.961 849 HD1 TRP 113 HD TRP 113 -1.500 -12.336 -3.923 850 HE1 TRP 113 1HE TRP 113 -3.533 -13.119 -5.411 851 HE3 TRP 113 3HE TRP 113 -2.899 -7.673 -5.391 852 HZ2 TRP 113 2HZ TRP 113 -5.456 -11.731 -7.000 853 HZ3 TRP 113 3HZ TRP 113 -4.864 -7.475 -6.911 854 HH2 TRP 113 HH TRP 113 -6.128 -9.407 -7.712 855 H SER 114 H SER 114 -3.580 -10.008 -1.431 856 HA SER 114 HA SER 114 -2.720 -12.280 0.034 857 HB2 SER 114 1HB SER 114 -4.631 -10.752 0.693 858 HB3 SER 114 2HB SER 114 -5.557 -11.392 -0.650 859 HG SER 114 HG SER 114 -6.144 -12.966 0.665 860 H GLY 115 H GLY 115 -3.151 -14.507 -0.439 861 HA2 GLY 115 1HA GLY 115 -4.493 -15.171 -2.934 862 HA3 GLY 115 2HA GLY 115 -2.774 -15.504 -2.880 863 HA PRO 116 HA PRO 116 -5.310 -18.654 -0.462 864 HB2 PRO 116 1HB PRO 116 -6.496 -20.262 -2.327 865 HB3 PRO 116 2HB PRO 116 -7.347 -18.983 -1.484 866 HG2 PRO 116 1HG PRO 116 -6.367 -19.032 -4.273 867 HG3 PRO 116 2HG PRO 116 -7.563 -17.977 -3.548 868 HD2 PRO 116 1HD PRO 116 -4.845 -17.312 -4.177 869 HD3 PRO 116 2HD PRO 116 -6.007 -16.296 -3.347 870 H SER 117 H SER 117 -4.425 -20.557 0.268 871 HA SER 117 HA SER 117 -3.010 -22.171 -1.525 872 HB2 SER 117 1HB SER 117 -0.714 -21.794 -0.500 873 HB3 SER 117 2HB SER 117 -1.284 -20.501 -1.537 874 HG SER 117 HG SER 117 -0.557 -19.436 0.266 875 H SER 118 H SER 118 -2.585 -21.035 1.915 876 HA SER 118 HA SER 118 -2.808 -22.045 3.823 877 HB2 SER 118 1HB SER 118 -5.105 -22.616 2.943 878 HB3 SER 118 2HB SER 118 -4.475 -24.150 2.375 879 HG SER 118 HG SER 118 -5.337 -24.594 4.387 880 H GLY 119 H GLY 119 -0.965 -22.945 4.664 881 HA2 GLY 119 1HA GLY 119 -0.148 -25.363 4.980 882 HA3 GLY 119 2HA GLY 119 0.208 -25.256 3.267 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -18.250 9.135 -15.043 2 HA2 GLY 1 1HA GLY 1 -20.979 8.614 -14.549 3 HA3 GLY 1 2HA GLY 1 -19.703 7.437 -14.787 4 H SER 2 H SER 2 -22.069 7.920 -12.735 5 HA SER 2 HA SER 2 -20.427 7.671 -10.345 6 HB2 SER 2 1HB SER 2 -22.330 9.443 -10.576 7 HB3 SER 2 2HB SER 2 -23.435 8.096 -10.392 8 HG SER 2 HG SER 2 -22.086 7.595 -8.375 9 H SER 3 H SER 3 -19.883 5.415 -10.743 10 HA SER 3 HA SER 3 -22.070 3.585 -11.010 11 HB2 SER 3 1HB SER 3 -20.310 1.865 -11.176 12 HB3 SER 3 2HB SER 3 -19.973 3.203 -12.257 13 HG SER 3 HG SER 3 -18.374 3.980 -10.844 14 H GLY 4 H GLY 4 -22.990 2.399 -9.344 15 HA2 GLY 4 1HA GLY 4 -21.561 1.880 -6.903 16 HA3 GLY 4 2HA GLY 4 -22.802 3.103 -6.721 17 H SER 5 H SER 5 -22.139 -0.269 -6.834 18 HA SER 5 HA SER 5 -24.622 -1.151 -7.781 19 HB2 SER 5 1HB SER 5 -22.795 -2.694 -7.843 20 HB3 SER 5 2HB SER 5 -22.401 -2.432 -6.156 21 HG SER 5 HG SER 5 -25.019 -3.337 -6.513 22 H SER 6 H SER 6 -26.537 -1.700 -6.660 23 HA SER 6 HA SER 6 -26.491 -1.489 -3.791 24 HB2 SER 6 1HB SER 6 -27.356 0.692 -5.417 25 HB3 SER 6 2HB SER 6 -28.812 -0.031 -4.761 26 HG SER 6 HG SER 6 -26.566 1.085 -3.347 27 H GLY 7 H GLY 7 -27.337 -3.487 -3.294 28 HA2 GLY 7 1HA GLY 7 -29.729 -4.389 -3.216 29 HA3 GLY 7 2HA GLY 7 -29.552 -4.498 -4.956 30 H MET 8 H MET 8 -28.916 -6.462 -5.722 31 HA MET 8 HA MET 8 -28.190 -8.504 -4.013 32 HB2 MET 8 1HB MET 8 -28.504 -8.020 -6.910 33 HB3 MET 8 2HB MET 8 -27.202 -9.152 -6.603 34 HG2 MET 8 1HG MET 8 -28.947 -10.671 -6.605 35 HG3 MET 8 2HG MET 8 -29.031 -10.218 -4.915 36 HE1 MET 8 1HE MET 8 -31.556 -10.298 -4.207 37 HE2 MET 8 2HE MET 8 -32.782 -10.315 -5.497 38 HE3 MET 8 3HE MET 8 -31.397 -11.430 -5.572 39 H SER 9 H SER 9 -26.264 -9.144 -3.121 40 HA SER 9 HA SER 9 -23.975 -7.545 -3.749 41 HB2 SER 9 1HB SER 9 -24.937 -8.941 -1.469 42 HB3 SER 9 2HB SER 9 -23.455 -9.761 -1.921 43 HG SER 9 HG SER 9 -23.798 -7.276 -0.760 44 H GLN 10 H GLN 10 -22.232 -8.185 -5.006 45 HA GLN 10 HA GLN 10 -22.534 -10.624 -6.431 46 HB2 GLN 10 1HB GLN 10 -21.093 -8.129 -6.736 47 HB3 GLN 10 2HB GLN 10 -19.970 -9.458 -6.942 48 HG2 GLN 10 1HG GLN 10 -20.757 -9.595 -9.075 49 HG3 GLN 10 2HG GLN 10 -22.174 -10.355 -8.380 50 HE21 GLN 10 1HE2 GLN 10 -24.085 -9.399 -8.517 51 HE22 GLN 10 2HE2 GLN 10 -24.392 -7.801 -9.111 52 H LEU 11 H LEU 11 -22.374 -12.183 -4.654 53 HA LEU 11 HA LEU 11 -20.177 -12.300 -2.942 54 HB2 LEU 11 1HB LEU 11 -22.498 -13.900 -3.624 55 HB3 LEU 11 2HB LEU 11 -21.101 -14.910 -3.307 56 HG LEU 11 HG LEU 11 -22.144 -12.780 -1.419 57 HD11 LEU 11 1HD1 LEU 11 -22.620 -15.764 -1.509 58 HD12 LEU 11 2HD1 LEU 11 -22.865 -14.780 -0.046 59 HD13 LEU 11 3HD1 LEU 11 -23.819 -14.449 -1.511 60 HD21 LEU 11 1HD2 LEU 11 -20.690 -14.127 0.218 61 HD22 LEU 11 2HD2 LEU 11 -19.900 -14.783 -1.236 62 HD23 LEU 11 3HD2 LEU 11 -19.876 -13.030 -0.925 63 H GLY 12 H GLY 12 -18.079 -12.457 -3.512 64 HA2 GLY 12 1HA GLY 12 -16.797 -14.520 -4.580 65 HA3 GLY 12 2HA GLY 12 -17.380 -13.738 -6.036 66 H SER 13 H SER 13 -15.879 -12.750 -2.866 67 HA SER 13 HA SER 13 -14.718 -10.469 -3.975 68 HB2 SER 13 1HB SER 13 -15.186 -10.755 -1.552 69 HB3 SER 13 2HB SER 13 -13.983 -12.025 -1.456 70 HG SER 13 HG SER 13 -12.799 -9.863 -2.596 71 H ARG 14 H ARG 14 -12.776 -10.173 -5.055 72 HA ARG 14 HA ARG 14 -11.208 -12.582 -5.420 73 HB2 ARG 14 1HB ARG 14 -11.841 -10.188 -7.086 74 HB3 ARG 14 2HB ARG 14 -10.179 -10.727 -7.208 75 HG2 ARG 14 1HG ARG 14 -11.029 -13.074 -7.674 76 HG3 ARG 14 2HG ARG 14 -12.663 -12.442 -7.677 77 HD2 ARG 14 1HD ARG 14 -10.626 -11.093 -9.453 78 HD3 ARG 14 2HD ARG 14 -11.237 -12.659 -9.948 79 HE ARG 14 HE ARG 14 -13.388 -11.720 -10.281 80 HH11 ARG 14 2HH2 ARG 14 -11.235 -9.389 -8.760 81 HH12 ARG 14 1HH2 ARG 14 -12.298 -8.046 -9.019 82 HH21 ARG 14 2HH1 ARG 14 -14.790 -9.949 -10.624 83 HH22 ARG 14 1HH1 ARG 14 -14.334 -8.367 -10.087 84 H GLY 15 H GLY 15 -8.711 -12.033 -5.819 85 HA2 GLY 15 1HA GLY 15 -7.450 -11.383 -3.558 86 HA3 GLY 15 2HA GLY 15 -6.778 -11.049 -5.142 87 H ARG 16 H ARG 16 -6.269 -9.477 -2.763 88 HA ARG 16 HA ARG 16 -7.139 -6.961 -3.821 89 HB2 ARG 16 1HB ARG 16 -7.720 -6.218 -1.375 90 HB3 ARG 16 2HB ARG 16 -8.917 -7.142 -2.260 91 HG2 ARG 16 1HG ARG 16 -7.897 -9.256 -1.185 92 HG3 ARG 16 2HG ARG 16 -6.980 -8.183 -0.147 93 HD2 ARG 16 1HD ARG 16 -9.168 -7.116 0.589 94 HD3 ARG 16 2HD ARG 16 -10.027 -8.317 -0.355 95 HE ARG 16 HE ARG 16 -8.121 -9.561 1.452 96 HH11 ARG 16 2HH2 ARG 16 -11.324 -8.112 1.300 97 HH12 ARG 16 1HH2 ARG 16 -11.923 -8.983 2.672 98 HH21 ARG 16 2HH1 ARG 16 -8.911 -10.711 3.262 99 HH22 ARG 16 1HH1 ARG 16 -10.542 -10.471 3.796 100 H LEU 17 H LEU 17 -5.601 -5.299 -3.399 101 HA LEU 17 HA LEU 17 -3.082 -6.243 -2.400 102 HB2 LEU 17 1HB LEU 17 -3.950 -3.558 -3.479 103 HB3 LEU 17 2HB LEU 17 -2.303 -3.995 -3.071 104 HG LEU 17 HG LEU 17 -3.509 -5.911 -4.917 105 HD11 LEU 17 1HD1 LEU 17 -4.805 -4.186 -5.839 106 HD12 LEU 17 2HD1 LEU 17 -3.501 -2.987 -5.662 107 HD13 LEU 17 3HD1 LEU 17 -3.363 -4.279 -6.878 108 HD21 LEU 17 1HD2 LEU 17 -1.400 -5.133 -6.230 109 HD22 LEU 17 2HD2 LEU 17 -0.989 -4.288 -4.718 110 HD23 LEU 17 3HD2 LEU 17 -1.210 -6.054 -4.718 111 H TRP 18 H TRP 18 -1.856 -5.161 -0.679 112 HA TRP 18 HA TRP 18 -3.242 -3.404 1.090 113 HB2 TRP 18 1HB TRP 18 -3.122 -4.969 3.047 114 HB3 TRP 18 2HB TRP 18 -4.398 -5.277 1.885 115 HD1 TRP 18 HD TRP 18 -4.148 -7.556 0.379 116 HE1 TRP 18 1HE TRP 18 -2.811 -9.812 0.670 117 HE3 TRP 18 3HE TRP 18 -0.958 -5.818 3.937 118 HZ2 TRP 18 2HZ TRP 18 -0.619 -10.599 2.319 119 HZ3 TRP 18 3HZ TRP 18 0.751 -7.395 4.834 120 HH2 TRP 18 HH TRP 18 0.951 -9.712 4.082 121 H LEU 19 H LEU 19 -1.744 -2.809 2.939 122 HA LEU 19 HA LEU 19 1.010 -3.067 2.004 123 HB2 LEU 19 1HB LEU 19 -0.093 -1.163 4.065 124 HB3 LEU 19 2HB LEU 19 1.468 -1.098 3.270 125 HG LEU 19 HG LEU 19 0.335 0.529 2.125 126 HD11 LEU 19 1HD1 LEU 19 1.184 -1.100 0.509 127 HD12 LEU 19 2HD1 LEU 19 -0.380 -1.950 0.534 128 HD13 LEU 19 3HD1 LEU 19 -0.280 -0.287 -0.093 129 HD21 LEU 19 1HD2 LEU 19 -2.233 -0.673 1.502 130 HD22 LEU 19 2HD2 LEU 19 -1.941 -0.614 3.257 131 HD23 LEU 19 3HD2 LEU 19 -1.854 0.878 2.289 132 H GLN 20 H GLN 20 2.659 -3.913 3.291 133 HA GLN 20 HA GLN 20 1.658 -5.295 5.652 134 HB2 GLN 20 1HB GLN 20 2.494 -6.814 3.923 135 HB3 GLN 20 2HB GLN 20 4.003 -5.930 3.812 136 HG2 GLN 20 1HG GLN 20 4.547 -6.523 6.168 137 HG3 GLN 20 2HG GLN 20 3.017 -7.363 6.324 138 HE21 GLN 20 1HE2 GLN 20 3.187 -9.455 6.206 139 HE22 GLN 20 2HE2 GLN 20 4.277 -10.374 5.222 140 H SER 21 H SER 21 1.989 -3.803 7.312 141 HA SER 21 HA SER 21 4.227 -2.137 7.382 142 HB2 SER 21 1HB SER 21 3.318 -2.344 10.023 143 HB3 SER 21 2HB SER 21 2.790 -1.168 8.835 144 HG SER 21 HG SER 21 0.879 -2.120 8.759 145 HA PRO 22 HA PRO 22 7.140 -4.822 9.191 146 HB2 PRO 22 1HB PRO 22 8.919 -3.030 10.235 147 HB3 PRO 22 2HB PRO 22 8.893 -3.478 8.541 148 HG2 PRO 22 1HG PRO 22 7.947 -0.983 9.813 149 HG3 PRO 22 2HG PRO 22 8.322 -1.282 8.127 150 HD2 PRO 22 1HD PRO 22 5.710 -1.113 9.301 151 HD3 PRO 22 2HD PRO 22 6.088 -1.526 7.641 152 H THR 23 H THR 23 8.174 -5.622 11.177 153 HA THR 23 HA THR 23 6.394 -5.970 13.175 154 HB THR 23 HB THR 23 8.626 -7.114 12.848 155 HG1 THR 23 1HG THR 23 8.523 -7.512 15.052 156 HG21 THR 23 1HG2 THR 23 9.873 -4.966 14.561 157 HG22 THR 23 2HG2 THR 23 10.655 -6.110 13.444 158 HG23 THR 23 3HG2 THR 23 9.808 -4.680 12.805 159 H GLY 24 H GLY 24 6.375 -5.177 15.466 160 HA2 GLY 24 1HA GLY 24 5.903 -3.492 16.879 161 HA3 GLY 24 2HA GLY 24 7.388 -2.760 16.306 162 H GLY 25 H GLY 25 4.478 -3.459 14.301 163 HA2 GLY 25 1HA GLY 25 3.888 -0.574 14.207 164 HA3 GLY 25 2HA GLY 25 4.184 -1.458 12.723 165 HA PRO 26 HA PRO 26 -0.246 -1.873 13.760 166 HB2 PRO 26 1HB PRO 26 -1.298 -0.625 11.568 167 HB3 PRO 26 2HB PRO 26 -1.044 0.184 13.102 168 HG2 PRO 26 1HG PRO 26 0.520 0.413 10.603 169 HG3 PRO 26 2HG PRO 26 0.485 1.497 11.980 170 HD2 PRO 26 1HD PRO 26 2.541 -0.398 11.338 171 HD3 PRO 26 2HD PRO 26 2.449 0.603 12.773 172 HA PRO 27 HA PRO 27 -1.012 -5.187 11.217 173 HB2 PRO 27 1HB PRO 27 -3.719 -5.243 10.851 174 HB3 PRO 27 2HB PRO 27 -2.938 -5.811 12.313 175 HG2 PRO 27 1HG PRO 27 -4.451 -3.309 11.871 176 HG3 PRO 27 2HG PRO 27 -4.037 -4.089 13.385 177 HD2 PRO 27 1HD PRO 27 -2.779 -1.776 12.246 178 HD3 PRO 27 2HD PRO 27 -2.293 -2.625 13.700 179 HA PRO 28 HA PRO 28 -1.301 -4.339 7.066 180 HB2 PRO 28 1HB PRO 28 -2.436 -6.546 5.922 181 HB3 PRO 28 2HB PRO 28 -0.754 -6.476 6.407 182 HG2 PRO 28 1HG PRO 28 -3.007 -7.865 7.724 183 HG3 PRO 28 2HG PRO 28 -1.286 -8.120 7.934 184 HD2 PRO 28 1HD PRO 28 -3.045 -6.729 9.722 185 HD3 PRO 28 2HD PRO 28 -1.306 -6.885 9.873 186 H ILE 29 H ILE 29 -2.398 -2.684 6.240 187 HA ILE 29 HA ILE 29 -5.277 -2.801 6.571 188 HB ILE 29 HB ILE 29 -3.393 -0.634 5.641 189 HG12 ILE 29 1HG1 ILE 29 -4.822 0.119 7.951 190 HG13 ILE 29 2HG1 ILE 29 -4.300 -1.528 8.243 191 HG21 ILE 29 1HG2 ILE 29 -5.829 -0.722 4.670 192 HG22 ILE 29 2HG2 ILE 29 -6.275 -0.129 6.287 193 HG23 ILE 29 3HG2 ILE 29 -5.147 0.807 5.277 194 HD11 ILE 29 1HD1 ILE 29 -2.352 -0.496 8.893 195 HD12 ILE 29 2HD1 ILE 29 -2.008 -0.518 7.147 196 HD13 ILE 29 3HD1 ILE 29 -2.670 0.950 7.906 197 H PHE 30 H PHE 30 -6.773 -2.906 4.885 198 HA PHE 30 HA PHE 30 -5.586 -3.684 2.322 199 HB2 PHE 30 1HB PHE 30 -8.146 -4.284 3.881 200 HB3 PHE 30 2HB PHE 30 -8.127 -4.541 2.147 201 HD1 PHE 30 1HD PHE 30 -6.345 -5.495 5.268 202 HD2 PHE 30 2HD PHE 30 -7.291 -6.535 1.264 203 HE1 PHE 30 1HE PHE 30 -5.322 -7.761 5.615 204 HE2 PHE 30 2HE PHE 30 -6.269 -8.801 1.611 205 HZ PHE 30 HZ PHE 30 -5.296 -9.386 3.782 206 H LEU 31 H LEU 31 -5.814 -2.329 0.607 207 HA LEU 31 HA LEU 31 -7.390 0.039 0.935 208 HB2 LEU 31 1HB LEU 31 -6.150 -0.700 -1.665 209 HB3 LEU 31 2HB LEU 31 -6.264 0.858 -0.871 210 HG LEU 31 HG LEU 31 -4.342 -1.393 -0.246 211 HD11 LEU 31 1HD1 LEU 31 -4.125 1.299 -1.539 212 HD12 LEU 31 2HD1 LEU 31 -2.740 0.655 -0.626 213 HD13 LEU 31 3HD1 LEU 31 -3.400 -0.258 -2.005 214 HD21 LEU 31 1HD2 LEU 31 -3.598 0.796 1.304 215 HD22 LEU 31 2HD2 LEU 31 -5.361 0.678 1.521 216 HD23 LEU 31 3HD2 LEU 31 -4.324 -0.725 1.875 217 HA PRO 32 HA PRO 32 -10.919 -1.215 -1.209 218 HB2 PRO 32 1HB PRO 32 -11.676 1.009 -2.606 219 HB3 PRO 32 2HB PRO 32 -11.971 0.808 -0.890 220 HG2 PRO 32 1HG PRO 32 -9.955 2.498 -2.238 221 HG3 PRO 32 2HG PRO 32 -10.548 2.598 -0.592 222 HD2 PRO 32 1HD PRO 32 -8.035 1.512 -1.449 223 HD3 PRO 32 2HD PRO 32 -8.677 1.507 0.181 224 H SER 33 H SER 33 -11.829 -2.164 -3.045 225 HA SER 33 HA SER 33 -9.824 -2.379 -5.107 226 HB2 SER 33 1HB SER 33 -11.439 -4.205 -5.955 227 HB3 SER 33 2HB SER 33 -10.627 -4.505 -4.432 228 HG SER 33 HG SER 33 -13.361 -3.711 -4.879 229 H ASP 34 H ASP 34 -13.142 -1.193 -4.501 230 HA ASP 34 HA ASP 34 -14.174 -0.945 -6.932 231 HB2 ASP 34 1HB ASP 34 -14.495 0.331 -4.394 232 HB3 ASP 34 2HB ASP 34 -14.444 1.623 -5.576 233 H GLY 35 H GLY 35 -11.454 0.880 -5.499 234 HA2 GLY 35 1HA GLY 35 -9.851 1.612 -7.274 235 HA3 GLY 35 2HA GLY 35 -11.208 2.463 -7.986 236 H GLN 36 H GLN 36 -11.834 2.567 -4.713 237 HA GLN 36 HA GLN 36 -11.448 5.251 -4.491 238 HB2 GLN 36 1HB GLN 36 -11.955 2.993 -2.611 239 HB3 GLN 36 2HB GLN 36 -11.310 4.443 -1.868 240 HG2 GLN 36 1HG GLN 36 -13.127 5.803 -2.864 241 HG3 GLN 36 2HG GLN 36 -13.744 4.401 -3.715 242 HE21 GLN 36 1HE2 GLN 36 -14.750 2.732 -2.600 243 HE22 GLN 36 2HE2 GLN 36 -15.375 2.914 -0.994 244 H ALA 37 H ALA 37 -10.004 6.249 -2.568 245 HA ALA 37 HA ALA 37 -7.296 5.147 -2.882 246 HB1 ALA 37 1HB ALA 37 -6.618 7.088 -3.789 247 HB2 ALA 37 2HB ALA 37 -8.318 7.610 -3.848 248 HB3 ALA 37 3HB ALA 37 -7.314 8.008 -2.434 249 H LEU 38 H LEU 38 -6.343 4.628 -0.976 250 HA LEU 38 HA LEU 38 -7.657 5.593 1.446 251 HB2 LEU 38 1HB LEU 38 -7.061 3.094 0.741 252 HB3 LEU 38 2HB LEU 38 -5.528 3.513 1.479 253 HG LEU 38 HG LEU 38 -6.587 3.985 3.595 254 HD11 LEU 38 1HD1 LEU 38 -9.101 3.440 3.805 255 HD12 LEU 38 2HD1 LEU 38 -8.622 5.011 3.119 256 HD13 LEU 38 3HD1 LEU 38 -9.151 3.695 2.044 257 HD21 LEU 38 1HD2 LEU 38 -7.603 1.373 2.440 258 HD22 LEU 38 2HD2 LEU 38 -5.992 1.662 3.141 259 HD23 LEU 38 3HD2 LEU 38 -7.441 1.762 4.170 260 H VAL 39 H VAL 39 -6.864 7.517 2.137 261 HA VAL 39 HA VAL 39 -4.213 8.327 1.528 262 HB VAL 39 HB VAL 39 -6.589 9.388 2.945 263 HG11 VAL 39 1HG1 VAL 39 -3.796 9.991 3.788 264 HG12 VAL 39 2HG1 VAL 39 -4.894 11.377 3.584 265 HG13 VAL 39 3HG1 VAL 39 -5.317 10.064 4.709 266 HG21 VAL 39 1HG2 VAL 39 -5.113 11.373 1.545 267 HG22 VAL 39 2HG2 VAL 39 -5.083 9.895 0.553 268 HG23 VAL 39 3HG2 VAL 39 -6.639 10.590 1.069 269 H LEU 40 H LEU 40 -2.344 8.140 2.706 270 HA LEU 40 HA LEU 40 -2.635 6.909 5.359 271 HB2 LEU 40 1HB LEU 40 -0.731 6.303 3.114 272 HB3 LEU 40 2HB LEU 40 -0.315 5.939 4.777 273 HG LEU 40 HG LEU 40 -2.540 4.771 3.106 274 HD11 LEU 40 1HD1 LEU 40 -0.911 3.286 2.732 275 HD12 LEU 40 2HD1 LEU 40 0.081 3.886 4.083 276 HD13 LEU 40 3HD1 LEU 40 -1.233 2.725 4.391 277 HD21 LEU 40 1HD2 LEU 40 -3.721 5.090 5.075 278 HD22 LEU 40 2HD2 LEU 40 -3.048 3.456 5.283 279 HD23 LEU 40 3HD2 LEU 40 -2.288 4.842 6.101 280 H GLY 41 H GLY 41 -0.963 7.499 6.932 281 HA2 GLY 41 1HA GLY 41 1.092 9.241 6.650 282 HA3 GLY 41 2HA GLY 41 -0.305 10.298 6.720 283 H ARG 42 H ARG 42 0.019 11.205 8.769 284 HA ARG 42 HA ARG 42 0.819 9.694 10.953 285 HB2 ARG 42 1HB ARG 42 -0.014 12.452 10.390 286 HB3 ARG 42 2HB ARG 42 -0.641 11.927 11.939 287 HG2 ARG 42 1HG ARG 42 1.801 11.030 12.365 288 HG3 ARG 42 2HG ARG 42 2.254 12.080 11.036 289 HD2 ARG 42 1HD ARG 42 2.526 13.300 13.148 290 HD3 ARG 42 2HD ARG 42 1.221 14.030 12.234 291 HE ARG 42 HE ARG 42 0.943 12.400 14.699 292 HH11 ARG 42 2HH2 ARG 42 -0.634 14.126 12.069 293 HH12 ARG 42 1HH2 ARG 42 -2.163 14.220 12.877 294 HH21 ARG 42 2HH1 ARG 42 -1.074 12.524 15.765 295 HH22 ARG 42 1HH1 ARG 42 -2.415 13.302 14.994 296 H GLY 43 H GLY 43 -0.382 8.764 12.698 297 HA2 GLY 43 1HA GLY 43 -2.674 8.838 13.749 298 HA3 GLY 43 2HA GLY 43 -3.267 8.445 12.147 299 HA PRO 44 HA PRO 44 -2.357 4.522 14.283 300 HB2 PRO 44 1HB PRO 44 -4.865 3.439 14.207 301 HB3 PRO 44 2HB PRO 44 -4.240 4.314 15.591 302 HG2 PRO 44 1HG PRO 44 -6.204 5.203 13.568 303 HG3 PRO 44 2HG PRO 44 -5.889 5.867 15.159 304 HD2 PRO 44 1HD PRO 44 -5.040 6.957 12.646 305 HD3 PRO 44 2HD PRO 44 -4.628 7.556 14.240 306 H LEU 45 H LEU 45 -3.163 5.608 11.315 307 HA LEU 45 HA LEU 45 -3.762 3.255 9.958 308 HB2 LEU 45 1HB LEU 45 -2.736 5.955 9.267 309 HB3 LEU 45 2HB LEU 45 -2.507 4.690 8.077 310 HG LEU 45 HG LEU 45 -4.544 5.995 7.673 311 HD11 LEU 45 1HD1 LEU 45 -5.583 4.213 6.813 312 HD12 LEU 45 2HD1 LEU 45 -4.262 3.265 7.537 313 HD13 LEU 45 3HD1 LEU 45 -5.804 3.451 8.406 314 HD21 LEU 45 1HD2 LEU 45 -4.922 5.635 10.504 315 HD22 LEU 45 2HD2 LEU 45 -5.785 6.701 9.369 316 HD23 LEU 45 3HD2 LEU 45 -6.341 5.028 9.616 317 H THR 46 H THR 46 -0.553 4.953 10.216 318 HA THR 46 HA THR 46 0.684 2.291 9.951 319 HB THR 46 HB THR 46 2.465 3.417 8.662 320 HG1 THR 46 1HG THR 46 0.745 5.763 9.014 321 HG21 THR 46 1HG2 THR 46 0.752 2.884 7.092 322 HG22 THR 46 2HG2 THR 46 -0.394 4.034 7.821 323 HG23 THR 46 3HG2 THR 46 0.975 4.634 6.855 324 H GLN 47 H GLN 47 -0.199 4.253 12.274 325 HA GLN 47 HA GLN 47 0.515 4.659 14.284 326 HB2 GLN 47 1HB GLN 47 2.673 2.677 13.488 327 HB3 GLN 47 2HB GLN 47 2.685 3.437 15.067 328 HG2 GLN 47 1HG GLN 47 0.009 2.424 14.394 329 HG3 GLN 47 2HG GLN 47 1.210 1.151 14.305 330 HE21 GLN 47 1HE2 GLN 47 -0.936 1.492 16.198 331 HE22 GLN 47 2HE2 GLN 47 -0.245 1.583 17.783 332 H VAL 48 H VAL 48 1.694 5.981 11.643 333 HA VAL 48 HA VAL 48 4.180 7.063 12.507 334 HB VAL 48 HB VAL 48 2.258 7.562 10.252 335 HG11 VAL 48 1HG1 VAL 48 2.930 9.723 10.257 336 HG12 VAL 48 2HG1 VAL 48 4.357 9.390 11.268 337 HG13 VAL 48 3HG1 VAL 48 4.408 9.058 9.520 338 HG21 VAL 48 1HG2 VAL 48 4.317 6.922 8.923 339 HG22 VAL 48 2HG2 VAL 48 5.091 6.506 10.472 340 HG23 VAL 48 3HG2 VAL 48 3.630 5.636 9.945 341 H THR 49 H THR 49 4.557 8.777 13.826 342 HA THR 49 HA THR 49 2.352 10.670 14.238 343 HB THR 49 HB THR 49 2.210 9.151 16.129 344 HG1 THR 49 1HG THR 49 3.012 10.717 17.777 345 HG21 THR 49 1HG2 THR 49 4.168 7.907 16.411 346 HG22 THR 49 2HG2 THR 49 5.217 9.274 15.963 347 HG23 THR 49 3HG2 THR 49 4.498 9.201 17.589 348 H ASP 50 H ASP 50 4.526 10.953 12.428 349 HA ASP 50 HA ASP 50 6.291 12.725 13.898 350 HB2 ASP 50 1HB ASP 50 6.974 10.840 12.123 351 HB3 ASP 50 2HB ASP 50 6.586 12.087 10.955 352 H ARG 51 H ARG 51 6.152 14.976 13.554 353 HA ARG 51 HA ARG 51 3.919 16.038 12.422 354 HB2 ARG 51 1HB ARG 51 6.668 17.322 12.831 355 HB3 ARG 51 2HB ARG 51 5.208 18.230 12.492 356 HG2 ARG 51 1HG ARG 51 4.152 17.220 14.561 357 HG3 ARG 51 2HG ARG 51 5.676 16.431 14.916 358 HD2 ARG 51 1HD ARG 51 6.129 19.270 14.391 359 HD3 ARG 51 2HD ARG 51 4.898 19.081 15.624 360 HE ARG 51 HE ARG 51 6.491 18.093 17.071 361 HH11 ARG 51 2HH2 ARG 51 7.845 18.530 13.852 362 HH12 ARG 51 1HH2 ARG 51 9.471 18.206 14.353 363 HH21 ARG 51 2HH1 ARG 51 8.636 17.666 17.733 364 HH22 ARG 51 1HH1 ARG 51 9.924 17.711 16.575 365 H LYS 52 H LYS 52 7.185 15.447 11.022 366 HA LYS 52 HA LYS 52 6.959 16.880 8.691 367 HB2 LYS 52 1HB LYS 52 8.376 14.266 9.273 368 HB3 LYS 52 2HB LYS 52 8.581 15.171 7.787 369 HG2 LYS 52 1HG LYS 52 8.845 16.922 10.130 370 HG3 LYS 52 2HG LYS 52 9.964 15.576 10.222 371 HD2 LYS 52 1HD LYS 52 10.672 16.107 7.822 372 HD3 LYS 52 2HD LYS 52 9.683 17.552 7.911 373 HE2 LYS 52 1HE LYS 52 11.659 17.100 10.139 374 HE3 LYS 52 2HE LYS 52 12.306 17.556 8.576 375 HZ1 LYS 52 1HZ LYS 52 11.832 19.591 9.301 376 HZ2 LYS 52 2HZ LYS 52 10.301 19.269 8.834 377 HZ3 LYS 52 3HZ LYS 52 10.730 19.099 10.400 378 H CYS 53 H CYS 53 5.401 13.848 9.676 379 HA CYS 53 HA CYS 53 4.600 13.180 7.026 380 HB2 CYS 53 1HB CYS 53 4.636 11.889 9.555 381 HB3 CYS 53 2HB CYS 53 2.961 11.926 9.042 382 HG CYS 53 HG CYS 53 3.133 10.086 7.574 383 H SER 54 H SER 54 2.023 12.803 6.774 384 HA SER 54 HA SER 54 0.530 14.876 8.074 385 HB2 SER 54 1HB SER 54 1.757 15.606 5.741 386 HB3 SER 54 2HB SER 54 0.268 14.944 5.096 387 HG SER 54 HG SER 54 -0.946 16.471 6.183 388 H ARG 55 H ARG 55 -1.669 14.313 8.217 389 HA ARG 55 HA ARG 55 -2.461 11.823 8.109 390 HB2 ARG 55 1HB ARG 55 -3.815 14.433 7.959 391 HB3 ARG 55 2HB ARG 55 -4.761 13.188 7.169 392 HG2 ARG 55 1HG ARG 55 -4.087 11.808 9.404 393 HG3 ARG 55 2HG ARG 55 -3.970 13.428 10.062 394 HD2 ARG 55 1HD ARG 55 -6.414 12.791 8.419 395 HD3 ARG 55 2HD ARG 55 -6.305 12.056 10.006 396 HE ARG 55 HE ARG 55 -5.667 14.887 10.120 397 HH11 ARG 55 2HH2 ARG 55 -8.350 12.616 9.943 398 HH12 ARG 55 1HH2 ARG 55 -9.482 13.698 10.682 399 HH21 ARG 55 2HH1 ARG 55 -7.161 16.315 11.095 400 HH22 ARG 55 1HH1 ARG 55 -8.801 15.817 11.342 401 H ASN 56 H ASN 56 -2.104 13.995 5.309 402 HA ASN 56 HA ASN 56 -2.937 11.767 3.622 403 HB2 ASN 56 1HB ASN 56 -3.170 13.939 1.953 404 HB3 ASN 56 2HB ASN 56 -4.506 13.298 2.889 405 HD21 ASN 56 1HD2 ASN 56 -1.598 15.163 3.756 406 HD22 ASN 56 2HD2 ASN 56 -2.407 16.489 4.524 407 H GLN 57 H GLN 57 -0.398 11.496 4.272 408 HA GLN 57 HA GLN 57 1.393 13.240 3.005 409 HB2 GLN 57 1HB GLN 57 2.350 12.065 4.785 410 HB3 GLN 57 2HB GLN 57 1.567 10.556 4.359 411 HG2 GLN 57 1HG GLN 57 3.931 10.342 3.831 412 HG3 GLN 57 2HG GLN 57 3.049 10.403 2.318 413 HE21 GLN 57 1HE2 GLN 57 4.443 11.300 0.966 414 HE22 GLN 57 2HE2 GLN 57 5.194 12.851 1.144 415 H VAL 58 H VAL 58 -0.281 10.225 2.061 416 HA VAL 58 HA VAL 58 0.468 10.734 -0.681 417 HB VAL 58 HB VAL 58 1.049 8.175 -0.790 418 HG11 VAL 58 1HG1 VAL 58 3.199 9.978 0.321 419 HG12 VAL 58 2HG1 VAL 58 3.314 8.743 -0.955 420 HG13 VAL 58 3HG1 VAL 58 2.477 10.280 -1.277 421 HG21 VAL 58 1HG2 VAL 58 1.723 7.108 1.089 422 HG22 VAL 58 2HG2 VAL 58 2.420 8.580 1.807 423 HG23 VAL 58 3HG2 VAL 58 0.666 8.290 1.897 424 H GLU 59 H GLU 59 -0.723 9.042 -2.135 425 HA GLU 59 HA GLU 59 -3.233 8.380 -0.805 426 HB2 GLU 59 1HB GLU 59 -3.122 10.397 -2.536 427 HB3 GLU 59 2HB GLU 59 -3.155 9.118 -3.733 428 HG2 GLU 59 1HG GLU 59 -5.327 8.479 -3.209 429 HG3 GLU 59 2HG GLU 59 -5.162 8.896 -1.515 430 H LEU 60 H LEU 60 -3.025 6.167 -0.548 431 HA LEU 60 HA LEU 60 -1.820 4.617 -2.662 432 HB2 LEU 60 1HB LEU 60 -2.673 4.177 0.151 433 HB3 LEU 60 2HB LEU 60 -2.676 2.783 -0.910 434 HG LEU 60 HG LEU 60 -0.207 3.909 -1.429 435 HD11 LEU 60 1HD1 LEU 60 0.365 5.289 0.215 436 HD12 LEU 60 2HD1 LEU 60 -1.100 4.895 1.145 437 HD13 LEU 60 3HD1 LEU 60 0.356 3.884 1.308 438 HD21 LEU 60 1HD2 LEU 60 0.690 2.022 -0.119 439 HD22 LEU 60 2HD2 LEU 60 -0.931 1.743 0.563 440 HD23 LEU 60 3HD2 LEU 60 -0.652 1.539 -1.184 441 H ILE 61 H ILE 61 -2.872 3.318 -4.136 442 HA ILE 61 HA ILE 61 -5.768 3.078 -3.839 443 HB ILE 61 HB ILE 61 -4.292 4.264 -6.176 444 HG12 ILE 61 1HG1 ILE 61 -6.850 5.409 -5.299 445 HG13 ILE 61 2HG1 ILE 61 -5.626 5.416 -4.044 446 HG21 ILE 61 1HG2 ILE 61 -5.644 3.262 -7.619 447 HG22 ILE 61 2HG2 ILE 61 -6.487 2.418 -6.299 448 HG23 ILE 61 3HG2 ILE 61 -7.035 4.030 -6.818 449 HD11 ILE 61 1HD1 ILE 61 -5.430 7.478 -5.333 450 HD12 ILE 61 2HD1 ILE 61 -4.010 6.464 -5.681 451 HD13 ILE 61 3HD1 ILE 61 -5.342 6.564 -6.858 452 H ALA 62 H ALA 62 -6.304 0.969 -3.934 453 HA ALA 62 HA ALA 62 -4.360 -0.939 -4.771 454 HB1 ALA 62 1HB ALA 62 -6.735 -2.303 -4.462 455 HB2 ALA 62 2HB ALA 62 -5.595 -1.929 -3.147 456 HB3 ALA 62 3HB ALA 62 -6.997 -0.871 -3.438 457 H ASP 63 H ASP 63 -3.924 -1.422 -6.859 458 HA ASP 63 HA ASP 63 -6.157 -1.167 -8.716 459 HB2 ASP 63 1HB ASP 63 -3.206 -0.589 -8.938 460 HB3 ASP 63 2HB ASP 63 -4.026 -1.163 -10.377 461 HA PRO 64 HA PRO 64 -5.022 -5.554 -8.630 462 HB2 PRO 64 1HB PRO 64 -7.556 -6.561 -8.799 463 HB3 PRO 64 2HB PRO 64 -6.746 -6.256 -7.275 464 HG2 PRO 64 1HG PRO 64 -8.901 -4.702 -8.572 465 HG3 PRO 64 2HG PRO 64 -8.381 -4.673 -6.899 466 HD2 PRO 64 1HD PRO 64 -7.794 -2.717 -8.913 467 HD3 PRO 64 2HD PRO 64 -7.179 -2.749 -7.272 468 H GLU 65 H GLU 65 -6.038 -3.446 -10.868 469 HA GLU 65 HA GLU 65 -7.077 -4.794 -12.904 470 HB2 GLU 65 1HB GLU 65 -5.823 -3.249 -14.416 471 HB3 GLU 65 2HB GLU 65 -6.528 -2.421 -13.042 472 HG2 GLU 65 1HG GLU 65 -4.489 -1.724 -12.331 473 HG3 GLU 65 2HG GLU 65 -3.875 -3.366 -12.319 474 H SER 66 H SER 66 -3.847 -5.230 -11.534 475 HA SER 66 HA SER 66 -3.551 -7.614 -13.021 476 HB2 SER 66 1HB SER 66 -2.209 -5.158 -13.956 477 HB3 SER 66 2HB SER 66 -1.079 -6.462 -13.646 478 HG SER 66 HG SER 66 -3.339 -7.360 -14.996 479 H ARG 67 H ARG 67 -1.918 -5.022 -11.086 480 HA ARG 67 HA ARG 67 -1.591 -6.222 -8.815 481 HB2 ARG 67 1HB ARG 67 0.812 -7.265 -8.986 482 HB3 ARG 67 2HB ARG 67 -0.550 -8.230 -9.521 483 HG2 ARG 67 1HG ARG 67 0.439 -8.420 -11.551 484 HG3 ARG 67 2HG ARG 67 0.192 -6.702 -11.794 485 HD2 ARG 67 1HD ARG 67 2.380 -6.145 -11.151 486 HD3 ARG 67 2HD ARG 67 2.551 -7.546 -10.113 487 HE ARG 67 HE ARG 67 3.305 -7.412 -12.869 488 HH11 ARG 67 2HH2 ARG 67 1.719 -9.600 -10.615 489 HH12 ARG 67 1HH2 ARG 67 2.185 -11.029 -11.475 490 HH21 ARG 67 2HH1 ARG 67 3.920 -9.298 -14.005 491 HH22 ARG 67 1HH1 ARG 67 3.446 -10.856 -13.416 492 H THR 68 H THR 68 -1.676 -3.734 -8.941 493 HA THR 68 HA THR 68 0.962 -2.716 -8.388 494 HB THR 68 HB THR 68 0.703 -0.870 -10.110 495 HG1 THR 68 1HG THR 68 -1.610 -1.105 -10.390 496 HG21 THR 68 1HG2 THR 68 1.309 -2.177 -12.066 497 HG22 THR 68 2HG2 THR 68 1.977 -3.046 -10.664 498 HG23 THR 68 3HG2 THR 68 0.478 -3.618 -11.433 499 H VAL 69 H VAL 69 0.664 -0.169 -7.955 500 HA VAL 69 HA VAL 69 -1.932 0.428 -6.873 501 HB VAL 69 HB VAL 69 0.463 -0.038 -5.090 502 HG11 VAL 69 1HG1 VAL 69 -2.213 0.971 -4.127 503 HG12 VAL 69 2HG1 VAL 69 -0.637 0.990 -3.299 504 HG13 VAL 69 3HG1 VAL 69 -0.941 2.097 -4.660 505 HG21 VAL 69 1HG2 VAL 69 -2.296 -1.298 -5.204 506 HG22 VAL 69 2HG2 VAL 69 -0.736 -2.080 -5.553 507 HG23 VAL 69 3HG2 VAL 69 -1.119 -1.561 -3.895 508 H ALA 70 H ALA 70 -2.259 2.650 -6.751 509 HA ALA 70 HA ALA 70 -0.095 4.231 -7.875 510 HB1 ALA 70 1HB ALA 70 -1.868 5.055 -8.990 511 HB2 ALA 70 2HB ALA 70 -3.013 4.240 -7.898 512 HB3 ALA 70 3HB ALA 70 -2.361 5.840 -7.470 513 H VAL 71 H VAL 71 0.769 6.104 -6.854 514 HA VAL 71 HA VAL 71 -0.032 6.496 -4.071 515 HB VAL 71 HB VAL 71 2.777 5.999 -5.071 516 HG11 VAL 71 1HG1 VAL 71 2.708 6.218 -2.238 517 HG12 VAL 71 2HG1 VAL 71 3.543 7.270 -3.407 518 HG13 VAL 71 3HG1 VAL 71 1.880 7.649 -2.898 519 HG21 VAL 71 1HG2 VAL 71 2.164 3.876 -4.619 520 HG22 VAL 71 2HG2 VAL 71 2.383 4.358 -2.920 521 HG23 VAL 71 3HG2 VAL 71 0.759 4.378 -3.648 522 H LYS 72 H LYS 72 -0.884 8.527 -4.239 523 HA LYS 72 HA LYS 72 0.693 10.476 -5.762 524 HB2 LYS 72 1HB LYS 72 -1.616 10.072 -6.562 525 HB3 LYS 72 2HB LYS 72 -2.241 10.548 -4.996 526 HG2 LYS 72 1HG LYS 72 -0.765 12.740 -5.422 527 HG3 LYS 72 2HG LYS 72 -0.899 12.254 -7.100 528 HD2 LYS 72 1HD LYS 72 -3.419 12.282 -5.443 529 HD3 LYS 72 2HD LYS 72 -2.745 13.825 -5.928 530 HE2 LYS 72 1HE LYS 72 -4.246 13.260 -7.692 531 HE3 LYS 72 2HE LYS 72 -2.663 12.876 -8.336 532 HZ1 LYS 72 1HZ LYS 72 -4.700 11.178 -8.257 533 HZ2 LYS 72 2HZ LYS 72 -3.136 10.716 -8.343 534 HZ3 LYS 72 3HZ LYS 72 -3.903 10.733 -6.902 535 H GLN 73 H GLN 73 1.821 11.976 -4.647 536 HA GLN 73 HA GLN 73 1.554 11.988 -1.816 537 HB2 GLN 73 1HB GLN 73 3.785 12.165 -2.614 538 HB3 GLN 73 2HB GLN 73 3.367 13.381 -3.805 539 HG2 GLN 73 1HG GLN 73 3.020 15.070 -2.083 540 HG3 GLN 73 2HG GLN 73 3.124 13.875 -0.805 541 HE21 GLN 73 1HE2 GLN 73 4.683 16.328 -1.443 542 HE22 GLN 73 2HE2 GLN 73 6.350 15.857 -1.463 543 H LEU 74 H LEU 74 -0.115 13.081 -0.864 544 HA LEU 74 HA LEU 74 -1.012 15.547 -2.155 545 HB2 LEU 74 1HB LEU 74 -2.466 14.309 0.126 546 HB3 LEU 74 2HB LEU 74 -3.079 15.193 -1.257 547 HG LEU 74 HG LEU 74 -1.833 12.538 -1.796 548 HD11 LEU 74 1HD1 LEU 74 -4.673 12.334 -1.064 549 HD12 LEU 74 2HD1 LEU 74 -3.314 11.232 -0.740 550 HD13 LEU 74 3HD1 LEU 74 -3.580 12.648 0.305 551 HD21 LEU 74 1HD2 LEU 74 -4.201 14.075 -2.887 552 HD22 LEU 74 2HD2 LEU 74 -2.637 13.760 -3.677 553 HD23 LEU 74 3HD2 LEU 74 -3.773 12.421 -3.388 554 H GLY 75 H GLY 75 1.215 14.538 0.115 555 HA2 GLY 75 1HA GLY 75 0.671 16.586 2.105 556 HA3 GLY 75 2HA GLY 75 1.969 15.409 2.103 557 H VAL 76 H VAL 76 3.732 16.794 2.409 558 HA VAL 76 HA VAL 76 4.193 18.669 0.196 559 HB VAL 76 HB VAL 76 3.698 20.102 1.937 560 HG11 VAL 76 1HG1 VAL 76 4.247 19.809 4.256 561 HG12 VAL 76 2HG1 VAL 76 3.550 18.281 3.666 562 HG13 VAL 76 3HG1 VAL 76 5.310 18.430 3.889 563 HG21 VAL 76 1HG2 VAL 76 5.696 21.248 2.434 564 HG22 VAL 76 2HG2 VAL 76 6.656 19.749 2.455 565 HG23 VAL 76 3HG2 VAL 76 6.035 20.387 0.913 566 H ASN 77 H ASN 77 5.712 16.800 2.915 567 HA ASN 77 HA ASN 77 8.269 16.923 1.956 568 HB2 ASN 77 1HB ASN 77 6.746 14.942 3.679 569 HB3 ASN 77 2HB ASN 77 8.385 14.550 3.200 570 HD21 ASN 77 1HD2 ASN 77 6.451 16.118 5.415 571 HD22 ASN 77 2HD2 ASN 77 7.625 17.104 6.221 572 HA PRO 78 HA PRO 78 8.065 14.157 -1.450 573 HB2 PRO 78 1HB PRO 78 10.724 13.669 -1.846 574 HB3 PRO 78 2HB PRO 78 9.916 15.108 -2.434 575 HG2 PRO 78 1HG PRO 78 11.754 14.822 -0.136 576 HG3 PRO 78 2HG PRO 78 11.281 16.278 -0.989 577 HD2 PRO 78 1HD PRO 78 10.329 15.403 1.572 578 HD3 PRO 78 2HD PRO 78 9.772 16.797 0.667 579 H SER 79 H SER 79 7.374 12.124 -1.635 580 HA SER 79 HA SER 79 8.418 10.363 0.414 581 HB2 SER 79 1HB SER 79 6.032 10.386 0.395 582 HB3 SER 79 2HB SER 79 5.954 10.317 -1.354 583 HG SER 79 HG SER 79 5.840 8.261 0.347 584 H THR 80 H THR 80 8.947 8.061 -0.225 585 HA THR 80 HA THR 80 10.016 7.979 -2.971 586 HB THR 80 HB THR 80 11.127 6.737 -0.398 587 HG1 THR 80 1HG THR 80 12.645 8.511 -0.691 588 HG21 THR 80 1HG2 THR 80 13.182 6.440 -1.811 589 HG22 THR 80 2HG2 THR 80 11.820 5.480 -2.435 590 HG23 THR 80 3HG2 THR 80 12.269 7.008 -3.230 591 H VAL 81 H VAL 81 8.690 6.779 -4.191 592 HA VAL 81 HA VAL 81 7.314 4.551 -2.941 593 HB VAL 81 HB VAL 81 7.113 6.059 -5.524 594 HG11 VAL 81 1HG1 VAL 81 5.163 4.255 -5.898 595 HG12 VAL 81 2HG1 VAL 81 6.805 4.046 -6.552 596 HG13 VAL 81 3HG1 VAL 81 6.335 3.220 -5.047 597 HG21 VAL 81 1HG2 VAL 81 4.990 5.259 -3.510 598 HG22 VAL 81 2HG2 VAL 81 5.904 6.785 -3.445 599 HG23 VAL 81 3HG2 VAL 81 4.844 6.441 -4.833 600 H GLY 82 H GLY 82 9.423 3.422 -2.511 601 HA2 GLY 82 1HA GLY 82 10.254 1.312 -3.228 602 HA3 GLY 82 2HA GLY 82 10.180 1.855 -4.893 603 H VAL 83 H VAL 83 11.886 3.062 -5.798 604 HA VAL 83 HA VAL 83 14.065 3.742 -3.958 605 HB VAL 83 HB VAL 83 14.445 1.552 -5.090 606 HG11 VAL 83 1HG1 VAL 83 14.005 1.293 -7.259 607 HG12 VAL 83 2HG1 VAL 83 13.583 3.017 -7.391 608 HG13 VAL 83 3HG1 VAL 83 15.262 2.489 -7.658 609 HG21 VAL 83 1HG2 VAL 83 16.706 2.536 -6.233 610 HG22 VAL 83 2HG2 VAL 83 16.225 3.918 -5.220 611 HG23 VAL 83 3HG2 VAL 83 16.485 2.320 -4.480 612 H GLN 84 H GLN 84 11.735 5.125 -5.501 613 HA GLN 84 HA GLN 84 13.488 7.054 -6.810 614 HB2 GLN 84 1HB GLN 84 12.281 6.013 -8.594 615 HB3 GLN 84 2HB GLN 84 10.779 6.003 -7.691 616 HG2 GLN 84 1HG GLN 84 10.437 8.338 -7.971 617 HG3 GLN 84 2HG GLN 84 12.127 8.645 -8.317 618 HE21 GLN 84 1HE2 GLN 84 9.130 7.280 -9.526 619 HE22 GLN 84 2HE2 GLN 84 9.500 7.341 -11.217 620 H GLU 85 H GLU 85 13.070 9.265 -6.383 621 HA GLU 85 HA GLU 85 11.459 9.661 -4.042 622 HB2 GLU 85 1HB GLU 85 13.607 10.722 -3.989 623 HB3 GLU 85 2HB GLU 85 13.410 11.396 -5.595 624 HG2 GLU 85 1HG GLU 85 11.453 12.768 -4.694 625 HG3 GLU 85 2HG GLU 85 11.858 12.194 -3.089 626 H LEU 86 H LEU 86 9.533 10.840 -3.928 627 HA LEU 86 HA LEU 86 8.384 11.519 -6.529 628 HB2 LEU 86 1HB LEU 86 7.234 10.755 -3.863 629 HB3 LEU 86 2HB LEU 86 6.259 11.600 -5.049 630 HG LEU 86 HG LEU 86 7.465 8.843 -5.227 631 HD11 LEU 86 1HD1 LEU 86 4.978 8.497 -6.036 632 HD12 LEU 86 2HD1 LEU 86 5.385 8.595 -4.306 633 HD13 LEU 86 3HD1 LEU 86 4.715 10.015 -5.144 634 HD21 LEU 86 1HD2 LEU 86 8.054 9.652 -7.341 635 HD22 LEU 86 2HD2 LEU 86 6.491 8.841 -7.601 636 HD23 LEU 86 3HD2 LEU 86 6.566 10.616 -7.493 637 H LYS 87 H LYS 87 6.461 13.365 -5.851 638 HA LYS 87 HA LYS 87 7.851 15.489 -4.424 639 HB2 LYS 87 1HB LYS 87 7.480 15.367 -7.336 640 HB3 LYS 87 2HB LYS 87 6.836 16.830 -6.618 641 HG2 LYS 87 1HG LYS 87 8.953 17.433 -5.659 642 HG3 LYS 87 2HG LYS 87 9.608 15.823 -5.877 643 HD2 LYS 87 1HD LYS 87 9.074 16.361 -8.472 644 HD3 LYS 87 2HD LYS 87 9.231 18.014 -7.910 645 HE2 LYS 87 1HE LYS 87 11.422 16.743 -6.712 646 HE3 LYS 87 2HE LYS 87 11.318 15.948 -8.270 647 HZ1 LYS 87 1HZ LYS 87 11.214 18.192 -9.258 648 HZ2 LYS 87 2HZ LYS 87 11.516 18.837 -7.789 649 HZ3 LYS 87 3HZ LYS 87 12.626 17.876 -8.503 650 HA PRO 88 HA PRO 88 3.846 16.514 -3.175 651 HB2 PRO 88 1HB PRO 88 3.792 19.245 -3.092 652 HB3 PRO 88 2HB PRO 88 4.555 18.264 -1.857 653 HG2 PRO 88 1HG PRO 88 5.819 19.861 -4.000 654 HG3 PRO 88 2HG PRO 88 6.537 19.234 -2.529 655 HD2 PRO 88 1HD PRO 88 6.851 18.179 -5.178 656 HD3 PRO 88 2HD PRO 88 7.473 17.486 -3.693 657 H GLY 89 H GLY 89 2.428 15.624 -4.620 658 HA2 GLY 89 1HA GLY 89 0.456 16.395 -5.784 659 HA3 GLY 89 2HA GLY 89 1.445 17.593 -6.595 660 H LEU 90 H LEU 90 3.352 14.822 -6.267 661 HA LEU 90 HA LEU 90 2.915 14.170 -9.053 662 HB2 LEU 90 1HB LEU 90 5.158 14.513 -7.669 663 HB3 LEU 90 2HB LEU 90 4.944 12.803 -7.353 664 HG LEU 90 HG LEU 90 5.124 12.232 -9.643 665 HD11 LEU 90 1HD1 LEU 90 5.521 14.318 -11.277 666 HD12 LEU 90 2HD1 LEU 90 3.915 13.613 -10.972 667 HD13 LEU 90 3HD1 LEU 90 4.421 15.083 -10.105 668 HD21 LEU 90 1HD2 LEU 90 7.166 13.632 -8.301 669 HD22 LEU 90 2HD2 LEU 90 7.330 12.455 -9.626 670 HD23 LEU 90 3HD2 LEU 90 7.205 14.193 -9.990 671 H SER 91 H SER 91 3.309 11.584 -9.424 672 HA SER 91 HA SER 91 1.919 10.038 -7.479 673 HB2 SER 91 1HB SER 91 0.529 9.616 -10.008 674 HB3 SER 91 2HB SER 91 -0.138 9.922 -8.417 675 HG SER 91 HG SER 91 -0.765 11.724 -9.492 676 H GLY 92 H GLY 92 2.548 7.867 -7.645 677 HA2 GLY 92 1HA GLY 92 3.903 7.058 -10.140 678 HA3 GLY 92 2HA GLY 92 4.678 6.847 -8.582 679 H SER 93 H SER 93 4.634 4.498 -9.379 680 HA SER 93 HA SER 93 2.096 3.338 -8.535 681 HB2 SER 93 1HB SER 93 3.942 2.316 -10.739 682 HB3 SER 93 2HB SER 93 2.507 1.487 -10.169 683 HG SER 93 HG SER 93 1.560 3.851 -10.719 684 H LEU 94 H LEU 94 2.256 1.419 -7.235 685 HA LEU 94 HA LEU 94 5.000 0.813 -6.375 686 HB2 LEU 94 1HB LEU 94 2.800 1.807 -4.882 687 HB3 LEU 94 2HB LEU 94 3.065 0.150 -4.376 688 HG LEU 94 HG LEU 94 5.616 1.427 -4.509 689 HD11 LEU 94 1HD1 LEU 94 5.454 3.341 -3.186 690 HD12 LEU 94 2HD1 LEU 94 4.107 3.506 -4.339 691 HD13 LEU 94 3HD1 LEU 94 3.791 2.966 -2.672 692 HD21 LEU 94 1HD2 LEU 94 5.663 0.893 -2.103 693 HD22 LEU 94 2HD2 LEU 94 3.926 0.507 -2.168 694 HD23 LEU 94 3HD2 LEU 94 5.090 -0.470 -3.094 695 H SER 95 H SER 95 5.649 -1.201 -6.892 696 HA SER 95 HA SER 95 3.642 -3.043 -7.781 697 HB2 SER 95 1HB SER 95 6.629 -3.573 -7.589 698 HB3 SER 95 2HB SER 95 5.468 -4.343 -8.652 699 HG SER 95 HG SER 95 5.340 -1.678 -9.128 700 H LEU 96 H LEU 96 3.869 -5.438 -7.033 701 HA LEU 96 HA LEU 96 3.531 -5.502 -4.242 702 HB2 LEU 96 1HB LEU 96 3.512 -7.447 -6.489 703 HB3 LEU 96 2HB LEU 96 3.746 -8.092 -4.877 704 HG LEU 96 HG LEU 96 1.440 -6.258 -5.551 705 HD11 LEU 96 1HD1 LEU 96 1.750 -9.191 -6.063 706 HD12 LEU 96 2HD1 LEU 96 0.169 -8.562 -5.539 707 HD13 LEU 96 3HD1 LEU 96 0.927 -7.939 -7.024 708 HD21 LEU 96 1HD2 LEU 96 1.724 -6.370 -3.223 709 HD22 LEU 96 2HD2 LEU 96 0.431 -7.538 -3.584 710 HD23 LEU 96 3HD2 LEU 96 2.084 -8.113 -3.258 711 H GLY 97 H GLY 97 5.164 -5.151 -2.828 712 HA2 GLY 97 1HA GLY 97 7.006 -6.384 -1.787 713 HA3 GLY 97 2HA GLY 97 7.724 -6.533 -3.378 714 H ASP 98 H ASP 98 6.849 -3.754 -4.200 715 HA ASP 98 HA ASP 98 9.139 -2.429 -3.633 716 HB2 ASP 98 1HB ASP 98 6.484 -1.787 -4.726 717 HB3 ASP 98 2HB ASP 98 7.177 -0.409 -3.894 718 H VAL 99 H VAL 99 9.103 -0.104 -2.430 719 HA VAL 99 HA VAL 99 7.712 -0.462 0.134 720 HB VAL 99 HB VAL 99 10.537 0.352 -0.496 721 HG11 VAL 99 1HG1 VAL 99 10.463 0.767 2.159 722 HG12 VAL 99 2HG1 VAL 99 10.208 2.066 0.968 723 HG13 VAL 99 3HG1 VAL 99 8.810 1.284 1.745 724 HG21 VAL 99 1HG2 VAL 99 11.178 -1.444 0.801 725 HG22 VAL 99 2HG2 VAL 99 9.686 -1.421 1.771 726 HG23 VAL 99 3HG2 VAL 99 9.658 -2.060 0.110 727 H LEU 100 H LEU 100 6.981 1.492 1.176 728 HA LEU 100 HA LEU 100 7.003 3.831 -0.593 729 HB2 LEU 100 1HB LEU 100 4.891 2.863 -0.965 730 HB3 LEU 100 2HB LEU 100 4.655 2.497 0.732 731 HG LEU 100 HG LEU 100 4.281 4.800 1.275 732 HD11 LEU 100 1HD1 LEU 100 6.046 5.574 -0.465 733 HD12 LEU 100 2HD1 LEU 100 4.659 5.677 -1.575 734 HD13 LEU 100 3HD1 LEU 100 4.673 6.639 -0.078 735 HD21 LEU 100 1HD2 LEU 100 2.403 5.338 -0.468 736 HD22 LEU 100 2HD2 LEU 100 2.775 3.706 -1.076 737 HD23 LEU 100 3HD2 LEU 100 2.255 3.931 0.612 738 H TYR 101 H TYR 101 8.717 4.729 0.658 739 HA TYR 101 HA TYR 101 8.673 4.861 3.451 740 HB2 TYR 101 1HB TYR 101 9.848 6.591 1.190 741 HB3 TYR 101 2HB TYR 101 10.296 6.825 2.868 742 HD1 TYR 101 2HD TYR 101 11.567 5.042 4.083 743 HD2 TYR 101 1HD TYR 101 10.770 4.793 -0.113 744 HE1 TYR 101 2HE TYR 101 13.383 3.280 3.835 745 HE2 TYR 101 1HE TYR 101 12.589 3.032 -0.347 746 HH TYR 101 HH TYR 101 13.696 1.272 1.954 747 H LEU 102 H LEU 102 6.734 5.583 4.363 748 HA LEU 102 HA LEU 102 4.984 7.390 3.601 749 HB2 LEU 102 1HB LEU 102 5.952 6.402 6.125 750 HB3 LEU 102 2HB LEU 102 5.486 8.083 6.287 751 HG LEU 102 HG LEU 102 3.457 6.676 4.800 752 HD11 LEU 102 1HD1 LEU 102 3.689 5.525 7.555 753 HD12 LEU 102 2HD1 LEU 102 2.833 4.906 6.123 754 HD13 LEU 102 3HD1 LEU 102 4.606 4.788 6.220 755 HD21 LEU 102 1HD2 LEU 102 3.507 8.053 7.497 756 HD22 LEU 102 2HD2 LEU 102 3.027 8.748 5.930 757 HD23 LEU 102 3HD2 LEU 102 2.033 7.478 6.683 758 H VAL 103 H VAL 103 7.991 8.363 5.403 759 HA VAL 103 HA VAL 103 8.369 10.593 3.689 760 HB VAL 103 HB VAL 103 6.472 11.405 5.025 761 HG11 VAL 103 1HG1 VAL 103 6.844 10.142 7.082 762 HG12 VAL 103 2HG1 VAL 103 8.342 11.051 7.393 763 HG13 VAL 103 3HG1 VAL 103 6.770 11.886 7.429 764 HG21 VAL 103 1HG2 VAL 103 8.880 12.955 5.953 765 HG22 VAL 103 2HG2 VAL 103 8.507 12.832 4.216 766 HG23 VAL 103 3HG2 VAL 103 7.319 13.546 5.333 767 H ASN 104 H ASN 104 10.226 12.031 4.703 768 HA ASN 104 HA ASN 104 12.369 11.966 5.138 769 HB2 ASN 104 1HB ASN 104 10.892 11.618 7.534 770 HB3 ASN 104 2HB ASN 104 12.207 10.468 7.674 771 HD21 ASN 104 1HD2 ASN 104 11.295 13.811 7.395 772 HD22 ASN 104 2HD2 ASN 104 12.816 14.527 7.814 773 H GLY 105 H GLY 105 11.669 9.773 3.479 774 HA2 GLY 105 1HA GLY 105 12.180 7.641 2.899 775 HA3 GLY 105 2HA GLY 105 13.780 8.121 3.430 776 H LEU 106 H LEU 106 11.084 8.002 5.743 777 HA LEU 106 HA LEU 106 12.250 5.538 6.839 778 HB2 LEU 106 1HB LEU 106 11.396 8.080 8.186 779 HB3 LEU 106 2HB LEU 106 11.361 6.558 9.055 780 HG LEU 106 HG LEU 106 13.798 7.834 7.783 781 HD11 LEU 106 1HD1 LEU 106 14.136 8.898 9.699 782 HD12 LEU 106 2HD1 LEU 106 12.540 8.339 10.255 783 HD13 LEU 106 3HD1 LEU 106 13.995 7.379 10.618 784 HD21 LEU 106 1HD2 LEU 106 15.011 5.999 9.075 785 HD22 LEU 106 2HD2 LEU 106 13.433 5.183 9.180 786 HD23 LEU 106 3HD2 LEU 106 14.157 5.520 7.589 787 H TYR 107 H TYR 107 10.336 4.984 8.782 788 HA TYR 107 HA TYR 107 8.497 3.689 8.816 789 HB2 TYR 107 1HB TYR 107 7.231 6.177 7.547 790 HB3 TYR 107 2HB TYR 107 6.545 5.171 8.807 791 HD1 TYR 107 1HD TYR 107 8.310 5.024 10.963 792 HD2 TYR 107 2HD TYR 107 7.824 8.297 8.252 793 HE1 TYR 107 1HE TYR 107 9.209 6.624 12.723 794 HE2 TYR 107 2HE TYR 107 8.723 9.887 10.020 795 HH TYR 107 HH TYR 107 10.337 8.814 12.753 796 HA PRO 108 HA PRO 108 8.253 2.949 4.295 797 HB2 PRO 108 1HB PRO 108 9.741 0.663 4.126 798 HB3 PRO 108 2HB PRO 108 10.388 2.256 3.782 799 HG2 PRO 108 1HG PRO 108 10.814 0.557 6.163 800 HG3 PRO 108 2HG PRO 108 11.757 1.925 5.608 801 HD2 PRO 108 1HD PRO 108 9.875 1.903 7.772 802 HD3 PRO 108 2HD PRO 108 10.731 3.296 7.142 803 H LEU 109 H LEU 109 7.614 0.722 3.134 804 HA LEU 109 HA LEU 109 6.125 -0.919 4.971 805 HB2 LEU 109 1HB LEU 109 4.748 0.903 3.002 806 HB3 LEU 109 2HB LEU 109 3.993 -0.532 3.664 807 HG LEU 109 HG LEU 109 4.755 0.669 5.966 808 HD11 LEU 109 1HD1 LEU 109 5.572 2.708 5.479 809 HD12 LEU 109 2HD1 LEU 109 4.779 2.769 3.887 810 HD13 LEU 109 3HD1 LEU 109 3.853 3.151 5.358 811 HD21 LEU 109 1HD2 LEU 109 2.580 0.300 6.209 812 HD22 LEU 109 2HD2 LEU 109 2.278 1.854 5.395 813 HD23 LEU 109 3HD2 LEU 109 2.317 0.346 4.449 814 H THR 110 H THR 110 4.830 -2.626 3.543 815 HA THR 110 HA THR 110 6.382 -3.185 1.115 816 HB THR 110 HB THR 110 5.794 -5.162 3.382 817 HG1 THR 110 1HG THR 110 7.475 -3.640 3.920 818 HG21 THR 110 1HG2 THR 110 7.949 -5.698 1.416 819 HG22 THR 110 2HG2 THR 110 6.699 -6.798 2.043 820 HG23 THR 110 3HG2 THR 110 6.325 -5.706 0.688 821 H LEU 111 H LEU 111 4.866 -2.888 -0.424 822 HA LEU 111 HA LEU 111 2.144 -3.338 -0.021 823 HB2 LEU 111 1HB LEU 111 2.873 -1.862 -1.719 824 HB3 LEU 111 2HB LEU 111 3.866 -3.091 -2.478 825 HG LEU 111 HG LEU 111 1.749 -4.349 -3.032 826 HD11 LEU 111 1HD1 LEU 111 0.407 -1.766 -2.190 827 HD12 LEU 111 2HD1 LEU 111 -0.374 -3.158 -2.978 828 HD13 LEU 111 3HD1 LEU 111 0.298 -3.325 -1.338 829 HD21 LEU 111 1HD2 LEU 111 1.054 -2.340 -4.709 830 HD22 LEU 111 2HD2 LEU 111 2.667 -1.790 -4.195 831 HD23 LEU 111 3HD2 LEU 111 2.469 -3.395 -4.940 832 H ARG 112 H ARG 112 0.861 -5.129 -0.115 833 HA ARG 112 HA ARG 112 2.109 -7.516 -1.198 834 HB2 ARG 112 1HB ARG 112 0.669 -7.211 1.474 835 HB3 ARG 112 2HB ARG 112 0.850 -8.776 0.707 836 HG2 ARG 112 1HG ARG 112 3.226 -6.943 1.252 837 HG3 ARG 112 2HG ARG 112 2.662 -8.120 2.422 838 HD2 ARG 112 1HD ARG 112 3.134 -9.974 0.933 839 HD3 ARG 112 2HD ARG 112 3.357 -8.909 -0.440 840 HE ARG 112 HE ARG 112 5.273 -7.994 1.305 841 HH11 ARG 112 2HH2 ARG 112 4.467 -11.212 0.132 842 HH12 ARG 112 1HH2 ARG 112 6.088 -11.807 0.270 843 HH21 ARG 112 2HH1 ARG 112 7.411 -8.778 1.487 844 HH22 ARG 112 1HH1 ARG 112 7.774 -10.413 1.046 845 H TRP 113 H TRP 113 0.310 -9.321 -1.498 846 HA TRP 113 HA TRP 113 -2.241 -8.036 -2.175 847 HB2 TRP 113 1HB TRP 113 -1.326 -8.149 -4.280 848 HB3 TRP 113 2HB TRP 113 -0.406 -9.600 -3.937 849 HD1 TRP 113 HD TRP 113 -2.316 -11.843 -3.396 850 HE1 TRP 113 1HE TRP 113 -4.302 -12.650 -4.935 851 HE3 TRP 113 3HE TRP 113 -2.805 -7.475 -5.953 852 HZ2 TRP 113 2HZ TRP 113 -5.820 -11.399 -7.003 853 HZ3 TRP 113 3HZ TRP 113 -4.563 -7.351 -7.716 854 HH2 TRP 113 HH TRP 113 -6.041 -9.222 -8.256 855 H SER 114 H SER 114 -4.077 -9.502 -2.018 856 HA SER 114 HA SER 114 -3.448 -11.744 -0.282 857 HB2 SER 114 1HB SER 114 -5.088 -9.852 0.390 858 HB3 SER 114 2HB SER 114 -6.199 -10.544 -0.775 859 HG SER 114 HG SER 114 -5.498 -12.653 0.577 860 H GLY 115 H GLY 115 -3.756 -13.837 -0.998 861 HA2 GLY 115 1HA GLY 115 -5.070 -14.157 -3.623 862 HA3 GLY 115 2HA GLY 115 -3.806 -15.182 -2.973 863 HA PRO 116 HA PRO 116 -7.623 -17.327 -1.956 864 HB2 PRO 116 1HB PRO 116 -6.786 -19.833 -2.655 865 HB3 PRO 116 2HB PRO 116 -7.630 -18.762 -3.756 866 HG2 PRO 116 1HG PRO 116 -4.759 -19.465 -3.690 867 HG3 PRO 116 2HG PRO 116 -5.686 -18.759 -4.998 868 HD2 PRO 116 1HD PRO 116 -3.865 -17.393 -3.254 869 HD3 PRO 116 2HD PRO 116 -4.878 -16.668 -4.486 870 H SER 117 H SER 117 -7.475 -16.818 0.227 871 HA SER 117 HA SER 117 -6.883 -18.999 1.801 872 HB2 SER 117 1HB SER 117 -4.564 -17.335 1.176 873 HB3 SER 117 2HB SER 117 -4.888 -17.305 2.898 874 HG SER 117 HG SER 117 -4.078 -19.272 3.038 875 H SER 118 H SER 118 -7.980 -18.694 3.741 876 HA SER 118 HA SER 118 -8.287 -15.990 4.688 877 HB2 SER 118 1HB SER 118 -10.710 -16.087 4.809 878 HB3 SER 118 2HB SER 118 -10.231 -16.407 3.154 879 HG SER 118 HG SER 118 -11.832 -17.926 3.811 880 H GLY 119 H GLY 119 -7.910 -16.022 6.876 881 HA2 GLY 119 1HA GLY 119 -8.658 -16.905 9.009 882 HA3 GLY 119 2HA GLY 119 -8.553 -18.517 8.330
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