NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13294 | 1uht | 10067 | 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 1H GLY 1 -19.503 -5.241 -23.634 2 HA2 GLY 1 1HA GLY 1 -20.484 -2.691 -22.868 3 HA3 GLY 1 2HA GLY 1 -21.807 -3.832 -23.016 4 H SER 2 H SER 2 -21.741 -5.864 -21.738 5 HA SER 2 HA SER 2 -21.413 -7.016 -19.928 6 HB2 SER 2 1HB SER 2 -18.763 -6.064 -20.562 7 HB3 SER 2 2HB SER 2 -18.943 -6.042 -18.819 8 HG SER 2 HG SER 2 -19.193 -8.223 -18.753 9 H SER 3 H SER 3 -22.757 -6.530 -18.235 10 HA SER 3 HA SER 3 -21.950 -4.474 -16.428 11 HB2 SER 3 1HB SER 3 -23.524 -3.541 -18.405 12 HB3 SER 3 2HB SER 3 -24.790 -4.199 -17.388 13 HG SER 3 HG SER 3 -23.113 -1.974 -16.968 14 H GLY 4 H GLY 4 -21.889 -5.947 -14.719 15 HA2 GLY 4 1HA GLY 4 -24.468 -7.179 -14.001 16 HA3 GLY 4 2HA GLY 4 -23.013 -8.154 -14.067 17 H SER 5 H SER 5 -22.745 -8.638 -11.880 18 HA SER 5 HA SER 5 -22.326 -6.296 -10.191 19 HB2 SER 5 1HB SER 5 -23.454 -9.009 -9.366 20 HB3 SER 5 2HB SER 5 -23.115 -7.687 -8.267 21 HG SER 5 HG SER 5 -24.619 -6.498 -10.010 22 H SER 6 H SER 6 -21.695 -9.887 -10.313 23 HA SER 6 HA SER 6 -19.885 -11.056 -10.043 24 HB2 SER 6 1HB SER 6 -18.963 -9.047 -11.571 25 HB3 SER 6 2HB SER 6 -18.022 -8.691 -10.136 26 HG SER 6 HG SER 6 -18.058 -11.169 -11.633 27 H GLY 7 H GLY 7 -18.812 -11.882 -8.215 28 HA2 GLY 7 1HA GLY 7 -18.863 -10.130 -5.841 29 HA3 GLY 7 2HA GLY 7 -18.989 -11.878 -5.840 30 H MET 8 H MET 8 -16.896 -9.278 -5.322 31 HA MET 8 HA MET 8 -14.540 -10.629 -6.249 32 HB2 MET 8 1HB MET 8 -15.075 -8.016 -4.740 33 HB3 MET 8 2HB MET 8 -13.449 -8.562 -5.101 34 HG2 MET 8 1HG MET 8 -14.782 -8.797 -7.571 35 HG3 MET 8 2HG MET 8 -15.442 -7.324 -6.890 36 HE1 MET 8 1HE MET 8 -12.788 -6.370 -9.490 37 HE2 MET 8 2HE MET 8 -14.474 -6.845 -9.172 38 HE3 MET 8 3HE MET 8 -13.853 -5.296 -8.552 39 H VAL 9 H VAL 9 -12.943 -11.605 -4.946 40 HA VAL 9 HA VAL 9 -13.794 -12.055 -2.174 41 HB VAL 9 HB VAL 9 -12.689 -14.142 -2.277 42 HG11 VAL 9 1HG1 VAL 9 -14.347 -15.111 -3.419 43 HG12 VAL 9 2HG1 VAL 9 -14.817 -13.488 -3.977 44 HG13 VAL 9 3HG1 VAL 9 -13.730 -14.490 -4.969 45 HG21 VAL 9 1HG2 VAL 9 -10.654 -13.700 -3.388 46 HG22 VAL 9 2HG2 VAL 9 -11.510 -14.855 -4.438 47 HG23 VAL 9 3HG2 VAL 9 -11.480 -13.125 -4.856 48 H THR 10 H THR 10 -11.674 -10.262 -4.114 49 HA THR 10 HA THR 10 -9.512 -10.339 -2.144 50 HB THR 10 HB THR 10 -9.637 -8.819 -4.789 51 HG1 THR 10 HG1 THR 10 -9.339 -10.821 -5.726 52 HG21 THR 10 1HG2 THR 10 -7.306 -10.216 -3.390 53 HG22 THR 10 2HG2 THR 10 -7.226 -9.079 -4.757 54 HG23 THR 10 3HG2 THR 10 -7.675 -8.493 -3.137 55 HA PRO 11 HA PRO 11 -11.220 -6.776 -0.347 56 HB2 PRO 11 1HB PRO 11 -9.500 -6.618 1.772 57 HB3 PRO 11 2HB PRO 11 -10.946 -7.608 1.783 58 HG2 PRO 11 1HG PRO 11 -8.126 -8.448 1.500 59 HG3 PRO 11 2HG PRO 11 -9.521 -9.415 1.935 60 HD2 PRO 11 1HD PRO 11 -8.203 -9.353 -0.612 61 HD3 PRO 11 2HD PRO 11 -9.665 -10.231 -0.210 62 H SER 12 H SER 12 -10.962 -4.577 -0.452 63 HA SER 12 HA SER 12 -8.938 -3.771 -2.164 64 HB2 SER 12 1HB SER 12 -10.849 -2.279 -0.336 65 HB3 SER 12 2HB SER 12 -9.670 -1.414 -1.301 66 HG SER 12 HG SER 12 -10.655 -2.058 -3.189 67 H LEU 13 H LEU 13 -7.032 -2.450 -1.769 68 HA LEU 13 HA LEU 13 -5.885 -2.985 0.849 69 HB2 LEU 13 1HB LEU 13 -4.676 -3.615 -1.197 70 HB3 LEU 13 2HB LEU 13 -4.643 -1.936 -1.698 71 HG LEU 13 HG LEU 13 -3.287 -1.373 0.299 72 HD11 LEU 13 1HD1 LEU 13 -4.150 -3.895 1.219 73 HD12 LEU 13 2HD1 LEU 13 -2.389 -4.018 0.988 74 HD13 LEU 13 3HD1 LEU 13 -3.064 -2.741 2.029 75 HD21 LEU 13 1HD2 LEU 13 -1.729 -1.577 -1.286 76 HD22 LEU 13 2HD2 LEU 13 -1.350 -3.146 -0.536 77 HD23 LEU 13 3HD2 LEU 13 -2.449 -3.070 -1.934 78 H ARG 14 H ARG 14 -6.116 -1.511 2.434 79 HA ARG 14 HA ARG 14 -6.350 1.256 1.562 80 HB2 ARG 14 1HB ARG 14 -8.364 0.340 2.744 81 HB3 ARG 14 2HB ARG 14 -7.372 -0.058 4.132 82 HG2 ARG 14 1HG ARG 14 -6.703 2.531 3.999 83 HG3 ARG 14 2HG ARG 14 -8.214 2.663 3.121 84 HD2 ARG 14 1HD ARG 14 -8.878 1.049 5.333 85 HD3 ARG 14 2HD ARG 14 -7.764 2.225 6.002 86 HE ARG 14 HE ARG 14 -9.772 3.450 4.269 87 HH11 ARG 14 1HH1 ARG 14 -9.129 2.304 7.533 88 HH12 ARG 14 2HH1 ARG 14 -10.322 3.324 8.264 89 HH21 ARG 14 1HH2 ARG 14 -11.347 4.797 5.233 90 HH22 ARG 14 2HH2 ARG 14 -11.593 4.752 6.947 91 H LEU 15 H LEU 15 -4.296 2.147 1.757 92 HA LEU 15 HA LEU 15 -2.610 1.294 3.950 93 HB2 LEU 15 1HB LEU 15 -2.175 3.092 1.567 94 HB3 LEU 15 2HB LEU 15 -0.972 2.840 2.815 95 HG LEU 15 HG LEU 15 -2.162 0.577 1.196 96 HD11 LEU 15 1HD1 LEU 15 -0.782 0.944 -0.521 97 HD12 LEU 15 2HD1 LEU 15 -0.624 2.595 0.125 98 HD13 LEU 15 3HD1 LEU 15 0.585 1.357 0.542 99 HD21 LEU 15 1HD2 LEU 15 -0.943 0.289 3.508 100 HD22 LEU 15 2HD2 LEU 15 -0.607 -0.814 2.151 101 HD23 LEU 15 3HD2 LEU 15 0.522 0.511 2.521 102 H VAL 16 H VAL 16 -2.908 2.191 5.916 103 HA VAL 16 HA VAL 16 -3.891 4.946 5.993 104 HB VAL 16 HB VAL 16 -3.740 2.846 8.164 105 HG11 VAL 16 1HG1 VAL 16 -3.750 5.321 8.818 106 HG12 VAL 16 2HG1 VAL 16 -5.403 5.373 8.162 107 HG13 VAL 16 3HG1 VAL 16 -5.020 4.293 9.524 108 HG21 VAL 16 1HG2 VAL 16 -5.406 2.795 5.969 109 HG22 VAL 16 2HG2 VAL 16 -5.739 2.027 7.540 110 HG23 VAL 16 3HG2 VAL 16 -6.395 3.643 7.182 111 H PHE 17 H PHE 17 -2.533 6.587 6.504 112 HA PHE 17 HA PHE 17 0.188 5.921 7.133 113 HB2 PHE 17 1HB PHE 17 -1.526 8.326 6.439 114 HB3 PHE 17 2HB PHE 17 -0.016 8.658 7.264 115 HD1 PHE 17 HD1 PHE 17 2.135 8.087 6.188 116 HD2 PHE 17 HD2 PHE 17 -1.556 7.610 4.150 117 HE1 PHE 17 HE1 PHE 17 3.360 7.949 4.001 118 HE2 PHE 17 HE2 PHE 17 -0.332 7.473 1.964 119 HZ PHE 17 HZ PHE 17 2.112 7.644 1.915 120 H VAL 18 H VAL 18 0.114 5.008 9.258 121 HA VAL 18 HA VAL 18 -1.159 6.437 11.374 122 HB VAL 18 HB VAL 18 0.122 4.721 12.753 123 HG11 VAL 18 1HG1 VAL 18 -1.323 2.885 11.168 124 HG12 VAL 18 2HG1 VAL 18 -1.884 3.755 12.616 125 HG13 VAL 18 3HG1 VAL 18 -2.158 4.449 11.000 126 HG21 VAL 18 1HG2 VAL 18 1.618 3.337 11.826 127 HG22 VAL 18 2HG2 VAL 18 0.545 2.969 10.455 128 HG23 VAL 18 3HG2 VAL 18 1.588 4.411 10.406 129 H LYS 19 H LYS 19 2.083 6.280 9.905 130 HA LYS 19 HA LYS 19 2.849 8.483 11.667 131 HB2 LYS 19 1HB LYS 19 4.592 6.069 11.086 132 HB3 LYS 19 2HB LYS 19 5.090 7.507 11.955 133 HG2 LYS 19 1HG LYS 19 2.709 6.736 13.251 134 HG3 LYS 19 2HG LYS 19 3.503 5.213 12.900 135 HD2 LYS 19 1HD LYS 19 5.386 5.723 14.215 136 HD3 LYS 19 2HD LYS 19 5.169 7.454 14.049 137 HE2 LYS 19 1HE LYS 19 3.276 7.449 15.584 138 HE3 LYS 19 2HE LYS 19 3.204 5.698 15.587 139 HZ1 LYS 19 1HZ LYS 19 4.613 5.738 17.256 140 HZ2 LYS 19 2HZ LYS 19 5.767 6.401 16.310 141 HZ3 LYS 19 3HZ LYS 19 4.771 7.362 17.177 142 H GLY 20 H GLY 20 5.226 9.228 10.682 143 HA2 GLY 20 1HA GLY 20 6.421 9.745 8.758 144 HA3 GLY 20 2HA GLY 20 5.099 9.174 7.759 145 HA PRO 21 HA PRO 21 4.833 13.725 7.967 146 HB2 PRO 21 1HB PRO 21 5.147 14.269 5.307 147 HB3 PRO 21 2HB PRO 21 6.468 14.318 6.458 148 HG2 PRO 21 1HG PRO 21 5.861 12.265 4.419 149 HG3 PRO 21 2HG PRO 21 7.365 12.557 5.269 150 HD2 PRO 21 1HD PRO 21 5.479 10.461 5.790 151 HD3 PRO 21 2HD PRO 21 6.924 10.823 6.713 152 H ARG 22 H ARG 22 3.266 11.201 6.368 153 HA ARG 22 HA ARG 22 1.069 12.984 5.742 154 HB2 ARG 22 1HB ARG 22 1.976 10.290 4.751 155 HB3 ARG 22 2HB ARG 22 0.248 10.580 4.751 156 HG2 ARG 22 1HG ARG 22 0.370 12.087 3.029 157 HG3 ARG 22 2HG ARG 22 1.798 12.866 3.681 158 HD2 ARG 22 1HD ARG 22 3.216 11.615 2.388 159 HD3 ARG 22 2HD ARG 22 2.355 10.126 2.719 160 HE ARG 22 HE ARG 22 1.122 10.421 0.747 161 HH11 ARG 22 1HH1 ARG 22 2.673 13.459 1.611 162 HH12 ARG 22 2HH1 ARG 22 2.237 14.249 0.133 163 HH21 ARG 22 1HH2 ARG 22 0.547 11.463 -1.204 164 HH22 ARG 22 2HH2 ARG 22 1.020 13.106 -1.479 165 H GLU 23 H GLU 23 2.154 11.345 8.363 166 HA GLU 23 HA GLU 23 0.423 9.542 9.213 167 HB2 GLU 23 1HB GLU 23 2.187 10.165 10.674 168 HB3 GLU 23 2HB GLU 23 1.721 11.854 10.678 169 HG2 GLU 23 1HG GLU 23 -0.347 11.307 11.944 170 HG3 GLU 23 2HG GLU 23 0.050 9.601 11.891 171 H GLY 24 H GLY 24 -1.774 9.390 9.216 172 HA2 GLY 24 1HA GLY 24 -3.793 10.208 10.256 173 HA3 GLY 24 2HA GLY 24 -3.305 11.840 9.846 174 H ASP 25 H ASP 25 -2.310 9.892 7.281 175 HA ASP 25 HA ASP 25 -4.705 10.635 5.821 176 HB2 ASP 25 1HB ASP 25 -1.818 10.125 5.082 177 HB3 ASP 25 2HB ASP 25 -3.044 9.905 3.849 178 H ALA 26 H ALA 26 -5.355 8.987 4.026 179 HA ALA 26 HA ALA 26 -4.487 6.279 4.422 180 HB1 ALA 26 1HB ALA 26 -6.480 5.375 5.280 181 HB2 ALA 26 2HB ALA 26 -6.267 6.862 6.236 182 HB3 ALA 26 3HB ALA 26 -7.424 6.831 4.884 183 H LEU 27 H LEU 27 -4.900 5.021 2.581 184 HA LEU 27 HA LEU 27 -6.446 6.380 0.488 185 HB2 LEU 27 1HB LEU 27 -3.892 4.829 0.060 186 HB3 LEU 27 2HB LEU 27 -4.837 5.669 -1.154 187 HG LEU 27 HG LEU 27 -3.921 7.374 1.078 188 HD11 LEU 27 1HD1 LEU 27 -1.995 5.844 0.852 189 HD12 LEU 27 2HD1 LEU 27 -1.887 6.263 -0.874 190 HD13 LEU 27 3HD1 LEU 27 -1.613 7.512 0.364 191 HD21 LEU 27 1HD2 LEU 27 -3.123 8.267 -1.518 192 HD22 LEU 27 2HD2 LEU 27 -4.790 7.652 -1.609 193 HD23 LEU 27 3HD2 LEU 27 -4.374 8.925 -0.437 194 H ASP 28 H ASP 28 -7.011 4.706 -1.332 195 HA ASP 28 HA ASP 28 -7.347 2.068 -0.229 196 HB2 ASP 28 1HB ASP 28 -9.389 3.502 0.377 197 HB3 ASP 28 2HB ASP 28 -9.713 3.642 -1.339 198 H TYR 29 H TYR 29 -7.249 0.518 -1.922 199 HA TYR 29 HA TYR 29 -7.586 1.525 -4.655 200 HB2 TYR 29 1HB TYR 29 -5.369 -0.272 -3.488 201 HB3 TYR 29 2HB TYR 29 -5.498 0.166 -5.180 202 HD1 TYR 29 HD2 TYR 29 -4.606 1.361 -1.816 203 HD2 TYR 29 HD1 TYR 29 -4.866 2.393 -5.960 204 HE1 TYR 29 HE2 TYR 29 -3.173 3.419 -1.401 205 HE2 TYR 29 HE1 TYR 29 -3.432 4.447 -5.531 206 HH TYR 29 HH TYR 29 -2.929 5.704 -2.558 207 H LYS 30 H LYS 30 -7.822 -0.301 -6.264 208 HA LYS 30 HA LYS 30 -9.575 -2.277 -5.102 209 HB2 LYS 30 1HB LYS 30 -9.050 -1.150 -7.798 210 HB3 LYS 30 2HB LYS 30 -9.547 -2.829 -7.757 211 HG2 LYS 30 1HG LYS 30 -11.436 -2.037 -6.133 212 HG3 LYS 30 2HG LYS 30 -11.035 -0.414 -6.659 213 HD2 LYS 30 1HD LYS 30 -11.489 -2.525 -8.771 214 HD3 LYS 30 2HD LYS 30 -12.887 -1.880 -7.935 215 HE2 LYS 30 1HE LYS 30 -12.490 0.340 -8.711 216 HE3 LYS 30 2HE LYS 30 -10.813 0.009 -9.096 217 HZ1 LYS 30 1HZ LYS 30 -12.975 -0.194 -10.774 218 HZ2 LYS 30 2HZ LYS 30 -11.428 -0.599 -11.104 219 HZ3 LYS 30 3HZ LYS 30 -12.464 -1.727 -10.537 220 HA PRO 31 HA PRO 31 -6.796 -5.576 -5.254 221 HB2 PRO 31 1HB PRO 31 -8.336 -7.707 -5.998 222 HB3 PRO 31 2HB PRO 31 -8.326 -7.053 -4.373 223 HG2 PRO 31 1HG PRO 31 -10.384 -6.764 -6.475 224 HG3 PRO 31 2HG PRO 31 -10.532 -6.495 -4.750 225 HD2 PRO 31 1HD PRO 31 -10.301 -4.488 -6.786 226 HD3 PRO 31 2HD PRO 31 -10.332 -4.225 -5.054 227 H GLY 32 H GLY 32 -5.098 -6.179 -6.454 228 HA2 GLY 32 1HA GLY 32 -4.160 -7.123 -8.349 229 HA3 GLY 32 2HA GLY 32 -5.649 -6.872 -9.238 230 H SER 33 H SER 33 -4.541 -4.183 -7.272 231 HA SER 33 HA SER 33 -3.611 -2.910 -9.726 232 HB2 SER 33 1HB SER 33 -5.405 -2.001 -7.527 233 HB3 SER 33 2HB SER 33 -4.232 -0.811 -8.056 234 HG SER 33 HG SER 33 -5.136 -0.720 -10.062 235 H THR 34 H THR 34 -1.386 -2.865 -9.678 236 HA THR 34 HA THR 34 0.118 -3.069 -7.321 237 HB THR 34 HB THR 34 0.785 -2.120 -10.156 238 HG1 THR 34 HG1 THR 34 1.105 -4.350 -10.393 239 HG21 THR 34 1HG2 THR 34 2.505 -1.566 -8.242 240 HG22 THR 34 2HG2 THR 34 2.715 -3.330 -8.135 241 HG23 THR 34 3HG2 THR 34 3.092 -2.479 -9.652 242 H ILE 35 H ILE 35 0.825 -1.653 -5.835 243 HA ILE 35 HA ILE 35 0.347 1.181 -6.449 244 HB ILE 35 HB ILE 35 0.123 -0.270 -3.810 245 HG12 ILE 35 1HG1 ILE 35 -2.239 1.153 -4.644 246 HG13 ILE 35 2HG1 ILE 35 -1.745 0.057 -5.920 247 HG21 ILE 35 1HG2 ILE 35 -0.831 2.508 -4.007 248 HG22 ILE 35 2HG2 ILE 35 0.067 1.683 -2.711 249 HG23 ILE 35 3HG2 ILE 35 0.935 2.317 -4.130 250 HD11 ILE 35 1HD1 ILE 35 -2.368 -0.618 -3.020 251 HD12 ILE 35 2HD1 ILE 35 -3.156 -1.240 -4.490 252 HD13 ILE 35 3HD1 ILE 35 -1.498 -1.748 -4.085 253 H ARG 36 H ARG 36 2.371 1.766 -7.206 254 HA ARG 36 HA ARG 36 4.681 0.801 -5.884 255 HB2 ARG 36 1HB ARG 36 4.331 3.007 -7.977 256 HB3 ARG 36 2HB ARG 36 5.880 2.367 -7.467 257 HG2 ARG 36 1HG ARG 36 5.112 0.062 -8.198 258 HG3 ARG 36 2HG ARG 36 3.639 0.786 -8.812 259 HD2 ARG 36 1HD ARG 36 5.182 0.575 -10.680 260 HD3 ARG 36 2HD ARG 36 5.048 2.281 -10.301 261 HE ARG 36 HE ARG 36 7.198 1.456 -8.755 262 HH11 ARG 36 1HH1 ARG 36 6.416 1.229 -12.178 263 HH12 ARG 36 2HH1 ARG 36 8.071 1.258 -12.688 264 HH21 ARG 36 1HH2 ARG 36 9.381 1.494 -9.427 265 HH22 ARG 36 2HH2 ARG 36 9.769 1.409 -11.113 266 H VAL 37 H VAL 37 5.141 1.569 -3.832 267 HA VAL 37 HA VAL 37 4.483 4.342 -3.230 268 HB VAL 37 HB VAL 37 5.454 2.087 -1.463 269 HG11 VAL 37 1HG1 VAL 37 5.070 3.449 0.393 270 HG12 VAL 37 2HG1 VAL 37 5.818 4.565 -0.774 271 HG13 VAL 37 3HG1 VAL 37 4.056 4.588 -0.525 272 HG21 VAL 37 1HG2 VAL 37 2.994 2.234 -0.657 273 HG22 VAL 37 2HG2 VAL 37 2.691 3.036 -2.217 274 HG23 VAL 37 3HG2 VAL 37 3.342 1.380 -2.180 275 H GLY 38 H GLY 38 5.988 5.906 -3.463 276 HA2 GLY 38 1HA GLY 38 8.802 5.195 -2.975 277 HA3 GLY 38 2HA GLY 38 8.351 5.963 -4.484 278 H ARG 39 H ARG 39 9.735 7.793 -3.880 279 HA ARG 39 HA ARG 39 8.682 9.336 -1.667 280 HB2 ARG 39 1HB ARG 39 11.073 9.088 -1.525 281 HB3 ARG 39 2HB ARG 39 11.294 9.412 -3.233 282 HG2 ARG 39 1HG ARG 39 10.708 11.760 -2.950 283 HG3 ARG 39 2HG ARG 39 10.170 11.491 -1.305 284 HD2 ARG 39 1HD ARG 39 12.284 11.703 -0.484 285 HD3 ARG 39 2HD ARG 39 12.924 10.550 -1.638 286 HE ARG 39 HE ARG 39 12.410 12.922 -3.092 287 HH11 ARG 39 1HH1 ARG 39 14.479 11.894 -0.437 288 HH12 ARG 39 2HH1 ARG 39 15.722 13.048 -0.791 289 HH21 ARG 39 1HH2 ARG 39 14.049 14.444 -3.558 290 HH22 ARG 39 2HH2 ARG 39 15.475 14.508 -2.578 291 H ILE 40 H ILE 40 9.487 9.483 -5.186 292 HA ILE 40 HA ILE 40 8.175 12.086 -5.346 293 HB ILE 40 HB ILE 40 9.099 12.064 -7.668 294 HG12 ILE 40 1HG1 ILE 40 10.809 9.740 -6.786 295 HG13 ILE 40 2HG1 ILE 40 9.305 9.488 -7.649 296 HG21 ILE 40 1HG2 ILE 40 11.407 12.549 -6.956 297 HG22 ILE 40 2HG2 ILE 40 10.195 13.285 -5.881 298 HG23 ILE 40 3HG2 ILE 40 11.060 11.815 -5.371 299 HD11 ILE 40 1HD1 ILE 40 11.885 10.626 -8.623 300 HD12 ILE 40 2HD1 ILE 40 10.654 9.683 -9.498 301 HD13 ILE 40 3HD1 ILE 40 10.415 11.426 -9.228 302 H VAL 41 H VAL 41 6.278 12.431 -6.507 303 HA VAL 41 HA VAL 41 4.518 10.275 -6.685 304 HB VAL 41 HB VAL 41 3.162 11.969 -8.031 305 HG11 VAL 41 1HG1 VAL 41 2.881 13.462 -5.977 306 HG12 VAL 41 2HG1 VAL 41 2.670 11.712 -5.730 307 HG13 VAL 41 3HG1 VAL 41 4.184 12.505 -5.233 308 HG21 VAL 41 1HG2 VAL 41 4.662 14.262 -7.154 309 HG22 VAL 41 2HG2 VAL 41 5.691 13.243 -8.189 310 HG23 VAL 41 3HG2 VAL 41 4.124 13.830 -8.794 311 H ARG 42 H ARG 42 6.744 11.796 -9.036 312 HA ARG 42 HA ARG 42 5.808 10.975 -11.367 313 HB2 ARG 42 1HB ARG 42 8.623 11.051 -10.249 314 HB3 ARG 42 2HB ARG 42 8.383 10.434 -11.871 315 HG2 ARG 42 1HG ARG 42 8.789 12.767 -12.168 316 HG3 ARG 42 2HG ARG 42 7.056 12.591 -12.363 317 HD2 ARG 42 1HD ARG 42 6.573 13.602 -10.296 318 HD3 ARG 42 2HD ARG 42 8.109 13.146 -9.588 319 HE ARG 42 HE ARG 42 7.558 15.582 -11.033 320 HH11 ARG 42 1HH1 ARG 42 10.092 13.197 -10.509 321 HH12 ARG 42 2HH1 ARG 42 11.381 14.306 -10.843 322 HH21 ARG 42 1HH2 ARG 42 9.258 17.045 -11.474 323 HH22 ARG 42 2HH2 ARG 42 10.903 16.509 -11.395 324 H GLY 43 H GLY 43 5.019 9.028 -12.101 325 HA2 GLY 43 1HA GLY 43 4.651 6.811 -12.253 326 HA3 GLY 43 2HA GLY 43 6.398 6.679 -12.283 327 H ASN 44 H ASN 44 3.726 7.251 -9.877 328 HA ASN 44 HA ASN 44 4.530 5.002 -8.393 329 HB2 ASN 44 1HB ASN 44 5.300 7.780 -7.422 330 HB3 ASN 44 2HB ASN 44 4.905 6.538 -6.251 331 HD21 ASN 44 1HD2 ASN 44 7.353 7.982 -7.829 332 HD22 ASN 44 2HD2 ASN 44 8.559 6.738 -7.828 333 H GLU 45 H GLU 45 2.732 4.369 -7.100 334 HA GLU 45 HA GLU 45 0.355 5.806 -7.498 335 HB2 GLU 45 1HB GLU 45 1.189 3.236 -6.348 336 HB3 GLU 45 2HB GLU 45 -0.108 3.962 -5.420 337 HG2 GLU 45 1HG GLU 45 -0.182 3.637 -8.456 338 HG3 GLU 45 2HG GLU 45 -0.877 2.478 -7.340 339 H ILE 46 H ILE 46 2.727 5.528 -4.831 340 HA ILE 46 HA ILE 46 1.357 7.757 -3.533 341 HB ILE 46 HB ILE 46 2.266 5.241 -2.130 342 HG12 ILE 46 1HG1 ILE 46 -0.544 6.345 -2.349 343 HG13 ILE 46 2HG1 ILE 46 0.095 5.145 -3.456 344 HG21 ILE 46 1HG2 ILE 46 2.705 6.801 -0.525 345 HG22 ILE 46 2HG2 ILE 46 1.510 7.959 -1.155 346 HG23 ILE 46 3HG2 ILE 46 0.970 6.544 -0.219 347 HD11 ILE 46 1HD1 ILE 46 -0.294 4.882 -0.449 348 HD12 ILE 46 2HD1 ILE 46 -1.025 3.902 -1.742 349 HD13 ILE 46 3HD1 ILE 46 0.710 3.743 -1.378 350 H ALA 47 H ALA 47 2.745 9.294 -2.667 351 HA ALA 47 HA ALA 47 5.599 8.620 -2.751 352 HB1 ALA 47 1HB ALA 47 5.996 10.139 -4.360 353 HB2 ALA 47 2HB ALA 47 4.236 10.288 -4.581 354 HB3 ALA 47 3HB ALA 47 5.090 11.387 -3.472 355 H ILE 48 H ILE 48 6.645 9.146 -0.886 356 HA ILE 48 HA ILE 48 5.259 11.037 0.886 357 HB ILE 48 HB ILE 48 6.786 8.539 1.628 358 HG12 ILE 48 1HG1 ILE 48 3.929 8.940 2.361 359 HG13 ILE 48 2HG1 ILE 48 4.265 8.600 0.675 360 HG21 ILE 48 1HG2 ILE 48 6.877 9.214 3.757 361 HG22 ILE 48 2HG2 ILE 48 6.616 10.850 3.106 362 HG23 ILE 48 3HG2 ILE 48 5.236 9.902 3.711 363 HD11 ILE 48 1HD1 ILE 48 5.612 6.916 2.794 364 HD12 ILE 48 2HD1 ILE 48 3.908 6.606 2.382 365 HD13 ILE 48 3HD1 ILE 48 5.164 6.481 1.127 366 H LYS 49 H LYS 49 6.430 12.780 1.543 367 HA LYS 49 HA LYS 49 9.195 12.867 0.628 368 HB2 LYS 49 1HB LYS 49 7.163 14.965 1.392 369 HB3 LYS 49 2HB LYS 49 8.867 15.351 1.259 370 HG2 LYS 49 1HG LYS 49 7.935 13.768 -1.042 371 HG3 LYS 49 2HG LYS 49 7.002 15.239 -0.854 372 HD2 LYS 49 1HD LYS 49 8.719 16.503 -1.631 373 HD3 LYS 49 2HD LYS 49 9.811 15.847 -0.428 374 HE2 LYS 49 1HE LYS 49 10.539 14.091 -1.844 375 HE3 LYS 49 2HE LYS 49 9.101 14.161 -2.843 376 HZ1 LYS 49 1HZ LYS 49 9.936 16.474 -3.426 377 HZ2 LYS 49 2HZ LYS 49 11.376 15.989 -2.828 378 HZ3 LYS 49 3HZ LYS 49 10.708 15.198 -4.091 379 H ASP 50 H ASP 50 9.525 11.161 2.456 380 HA ASP 50 HA ASP 50 9.834 12.580 4.977 381 HB2 ASP 50 1HB ASP 50 8.531 10.601 5.308 382 HB3 ASP 50 2HB ASP 50 9.542 9.651 4.237 383 H ALA 51 H ALA 51 11.524 12.001 2.225 384 HA ALA 51 HA ALA 51 13.684 12.040 1.721 385 HB1 ALA 51 1HB ALA 51 13.780 13.446 3.890 386 HB2 ALA 51 2HB ALA 51 14.399 11.968 4.665 387 HB3 ALA 51 3HB ALA 51 15.297 12.709 3.319 388 H GLY 52 H GLY 52 13.358 10.030 4.741 389 HA2 GLY 52 1HA GLY 52 15.163 8.075 4.205 390 HA3 GLY 52 2HA GLY 52 13.650 7.814 5.050 391 H ILE 53 H ILE 53 12.107 8.709 2.526 392 HA ILE 53 HA ILE 53 12.176 6.081 1.283 393 HB ILE 53 HB ILE 53 10.195 8.355 1.133 394 HG12 ILE 53 1HG1 ILE 53 9.498 5.715 2.305 395 HG13 ILE 53 2HG1 ILE 53 10.601 6.705 3.239 396 HG21 ILE 53 1HG2 ILE 53 9.986 5.570 -0.045 397 HG22 ILE 53 2HG2 ILE 53 8.741 6.841 -0.084 398 HG23 ILE 53 3HG2 ILE 53 10.271 7.066 -0.966 399 HD11 ILE 53 1HD1 ILE 53 8.716 7.726 4.018 400 HD12 ILE 53 2HD1 ILE 53 8.709 8.576 2.454 401 HD13 ILE 53 3HD1 ILE 53 7.723 7.110 2.676 402 H SER 54 H SER 54 12.656 5.717 -0.886 403 HA SER 54 HA SER 54 13.839 8.033 -2.195 404 HB2 SER 54 1HB SER 54 14.586 5.174 -1.983 405 HB3 SER 54 2HB SER 54 14.697 5.802 -3.615 406 HG SER 54 HG SER 54 15.976 6.888 -1.254 407 H THR 55 H THR 55 13.609 8.090 -4.643 408 HA THR 55 HA THR 55 11.069 8.209 -5.499 409 HB THR 55 HB THR 55 12.075 8.008 -7.795 410 HG1 THR 55 HG1 THR 55 14.047 6.936 -7.916 411 HG21 THR 55 1HG2 THR 55 14.278 9.250 -6.136 412 HG22 THR 55 2HG2 THR 55 13.526 9.850 -7.634 413 HG23 THR 55 3HG2 THR 55 12.664 9.998 -6.084 414 H LYS 56 H LYS 56 13.165 5.292 -6.038 415 HA LYS 56 HA LYS 56 10.657 3.787 -6.303 416 HB2 LYS 56 1HB LYS 56 13.227 3.726 -7.781 417 HB3 LYS 56 2HB LYS 56 12.541 2.160 -7.396 418 HG2 LYS 56 1HG LYS 56 11.133 2.418 -9.154 419 HG3 LYS 56 2HG LYS 56 10.327 3.690 -8.259 420 HD2 LYS 56 1HD LYS 56 12.313 5.207 -9.175 421 HD3 LYS 56 2HD LYS 56 12.485 3.936 -10.370 422 HE2 LYS 56 1HE LYS 56 9.672 4.545 -10.138 423 HE3 LYS 56 2HE LYS 56 10.534 6.063 -10.291 424 HZ1 LYS 56 1HZ LYS 56 9.988 5.089 -12.423 425 HZ2 LYS 56 2HZ LYS 56 11.607 5.217 -12.245 426 HZ3 LYS 56 3HZ LYS 56 10.880 3.763 -12.087 427 H HIS 57 H HIS 57 10.683 3.901 -3.854 428 HA HIS 57 HA HIS 57 12.750 2.528 -2.497 429 HB2 HIS 57 1HB HIS 57 11.392 4.284 -1.456 430 HB3 HIS 57 2HB HIS 57 9.953 3.299 -1.621 431 HD2 HIS 57 HD2 HIS 57 11.076 0.463 -0.377 432 HE1 HIS 57 HE1 HIS 57 12.092 2.804 3.028 433 HE2 HIS 57 HE2 HIS 57 11.625 0.430 2.111 434 H LEU 58 H LEU 58 9.236 1.680 -2.932 435 HA LEU 58 HA LEU 58 9.987 -1.015 -3.607 436 HB2 LEU 58 1HB LEU 58 8.593 -1.988 -1.782 437 HB3 LEU 58 2HB LEU 58 10.131 -1.309 -1.287 438 HG LEU 58 HG LEU 58 9.096 0.589 -0.289 439 HD11 LEU 58 1HD1 LEU 58 6.561 -0.317 -1.666 440 HD12 LEU 58 2HD1 LEU 58 6.591 0.886 -0.355 441 HD13 LEU 58 3HD1 LEU 58 7.449 1.211 -1.880 442 HD21 LEU 58 1HD2 LEU 58 7.167 -0.747 1.070 443 HD22 LEU 58 2HD2 LEU 58 8.085 -2.106 0.378 444 HD23 LEU 58 3HD2 LEU 58 8.912 -0.897 1.390 445 H ARG 59 H ARG 59 7.848 -2.342 -3.960 446 HA ARG 59 HA ARG 59 5.798 -0.490 -4.857 447 HB2 ARG 59 1HB ARG 59 5.606 -1.565 -6.990 448 HB3 ARG 59 2HB ARG 59 7.330 -1.366 -6.751 449 HG2 ARG 59 1HG ARG 59 7.296 -3.760 -5.726 450 HG3 ARG 59 2HG ARG 59 5.685 -3.904 -6.403 451 HD2 ARG 59 1HD ARG 59 6.452 -3.944 -8.602 452 HD3 ARG 59 2HD ARG 59 7.818 -2.900 -8.264 453 HE ARG 59 HE ARG 59 8.395 -5.221 -6.841 454 HH11 ARG 59 1HH1 ARG 59 7.643 -4.504 -10.203 455 HH12 ARG 59 2HH1 ARG 59 8.569 -5.828 -10.826 456 HH21 ARG 59 1HH2 ARG 59 9.617 -6.968 -7.663 457 HH22 ARG 59 2HH2 ARG 59 9.699 -7.240 -9.371 458 H ILE 60 H ILE 60 3.625 -1.313 -4.705 459 HA ILE 60 HA ILE 60 3.453 -3.816 -3.186 460 HB ILE 60 HB ILE 60 1.760 -1.328 -3.223 461 HG12 ILE 60 1HG1 ILE 60 2.919 -2.730 -0.822 462 HG13 ILE 60 2HG1 ILE 60 3.904 -1.645 -1.782 463 HG21 ILE 60 1HG2 ILE 60 0.367 -3.440 -3.315 464 HG22 ILE 60 2HG2 ILE 60 1.062 -3.862 -1.732 465 HG23 ILE 60 3HG2 ILE 60 0.096 -2.379 -1.912 466 HD11 ILE 60 1HD1 ILE 60 1.565 -1.032 -0.019 467 HD12 ILE 60 2HD1 ILE 60 3.035 -0.079 -0.331 468 HD13 ILE 60 3HD1 ILE 60 1.704 -0.074 -1.512 469 H GLU 61 H GLU 61 2.235 -5.515 -3.949 470 HA GLU 61 HA GLU 61 0.478 -5.012 -6.166 471 HB2 GLU 61 1HB GLU 61 1.534 -6.838 -7.545 472 HB3 GLU 61 2HB GLU 61 2.536 -5.410 -7.377 473 HG2 GLU 61 1HG GLU 61 4.181 -6.821 -6.679 474 HG3 GLU 61 2HG GLU 61 3.305 -6.918 -5.164 475 H SER 62 H SER 62 -0.777 -7.096 -6.742 476 HA SER 62 HA SER 62 -1.142 -8.564 -4.255 477 HB2 SER 62 1HB SER 62 -3.296 -7.927 -4.554 478 HB3 SER 62 2HB SER 62 -2.977 -7.359 -6.181 479 HG SER 62 HG SER 62 -4.164 -9.042 -6.776 480 H ASP 63 H ASP 63 -1.928 -10.919 -4.585 481 HA ASP 63 HA ASP 63 -0.633 -12.013 -6.957 482 HB2 ASP 63 1HB ASP 63 0.755 -12.450 -4.965 483 HB3 ASP 63 2HB ASP 63 -0.629 -13.084 -4.097 484 H SER 64 H SER 64 -2.602 -12.414 -8.105 485 HA SER 64 HA SER 64 -4.399 -13.485 -8.684 486 HB2 SER 64 1HB SER 64 -3.121 -15.325 -6.859 487 HB3 SER 64 2HB SER 64 -4.854 -15.437 -6.627 488 HG SER 64 HG SER 64 -5.022 -16.470 -8.489 489 H GLY 65 H GLY 65 -4.789 -14.129 -5.141 490 HA2 GLY 65 1HA GLY 65 -6.922 -12.092 -5.057 491 HA3 GLY 65 2HA GLY 65 -7.235 -13.736 -4.535 492 H ASN 66 H ASN 66 -4.223 -11.769 -4.121 493 HA ASN 66 HA ASN 66 -4.831 -11.435 -1.342 494 HB2 ASN 66 1HB ASN 66 -2.658 -13.282 -2.377 495 HB3 ASN 66 2HB ASN 66 -2.364 -12.390 -0.898 496 HD21 ASN 66 1HD2 ASN 66 -3.679 -12.710 0.914 497 HD22 ASN 66 2HD2 ASN 66 -4.628 -14.142 1.133 498 H TRP 67 H TRP 67 -2.837 -10.171 -0.290 499 HA TRP 67 HA TRP 67 -1.747 -8.394 -2.363 500 HB2 TRP 67 1HB TRP 67 -2.569 -7.848 0.489 501 HB3 TRP 67 2HB TRP 67 -1.595 -6.740 -0.458 502 HD1 TRP 67 HD1 TRP 67 -5.200 -7.943 -0.083 503 HE1 TRP 67 HE1 TRP 67 -6.867 -6.512 -1.545 504 HE3 TRP 67 HE3 TRP 67 -1.609 -5.436 -2.667 505 HZ2 TRP 67 HZ2 TRP 67 -6.505 -4.536 -3.572 506 HZ3 TRP 67 HZ3 TRP 67 -2.351 -3.773 -4.370 507 HH2 TRP 67 HH2 TRP 67 -4.704 -3.306 -4.839 508 H VAL 68 H VAL 68 0.497 -7.954 -2.303 509 HA VAL 68 HA VAL 68 2.017 -9.227 -0.163 510 HB VAL 68 HB VAL 68 3.318 -10.524 -1.546 511 HG11 VAL 68 1HG1 VAL 68 1.087 -11.487 -1.416 512 HG12 VAL 68 2HG1 VAL 68 0.569 -10.552 -2.839 513 HG13 VAL 68 3HG1 VAL 68 1.800 -11.826 -3.012 514 HG21 VAL 68 1HG2 VAL 68 2.789 -10.113 -4.218 515 HG22 VAL 68 2HG2 VAL 68 2.724 -8.461 -3.557 516 HG23 VAL 68 3HG2 VAL 68 4.182 -9.456 -3.326 517 H ILE 69 H ILE 69 4.217 -8.347 0.029 518 HA ILE 69 HA ILE 69 4.472 -5.761 -1.340 519 HB ILE 69 HB ILE 69 3.720 -5.431 0.948 520 HG12 ILE 69 1HG1 ILE 69 6.551 -4.578 1.164 521 HG13 ILE 69 2HG1 ILE 69 5.737 -4.121 -0.319 522 HG21 ILE 69 1HG2 ILE 69 6.259 -6.823 1.835 523 HG22 ILE 69 2HG2 ILE 69 4.991 -6.119 2.867 524 HG23 ILE 69 3HG2 ILE 69 4.635 -7.552 1.873 525 HD11 ILE 69 1HD1 ILE 69 4.690 -2.448 0.783 526 HD12 ILE 69 2HD1 ILE 69 3.888 -3.648 1.825 527 HD13 ILE 69 3HD1 ILE 69 5.459 -2.960 2.305 528 H GLN 70 H GLN 70 6.596 -5.143 -1.945 529 HA GLN 70 HA GLN 70 8.644 -7.119 -1.411 530 HB2 GLN 70 1HB GLN 70 7.656 -7.745 -3.596 531 HB3 GLN 70 2HB GLN 70 7.915 -6.121 -4.200 532 HG2 GLN 70 1HG GLN 70 10.180 -6.439 -4.504 533 HG3 GLN 70 2HG GLN 70 10.346 -7.424 -3.063 534 HE21 GLN 70 1HE2 GLN 70 8.902 -9.525 -3.250 535 HE22 GLN 70 2HE2 GLN 70 9.176 -10.470 -4.676 536 H ASP 71 H ASP 71 10.530 -6.133 -0.794 537 HA ASP 71 HA ASP 71 10.594 -3.286 -0.929 538 HB2 ASP 71 1HB ASP 71 11.375 -4.359 1.107 539 HB3 ASP 71 2HB ASP 71 12.464 -5.402 0.215 540 H LEU 72 H LEU 72 11.236 -2.416 -2.922 541 HA LEU 72 HA LEU 72 12.891 -3.859 -4.712 542 HB2 LEU 72 1HB LEU 72 11.855 -1.028 -4.651 543 HB3 LEU 72 2HB LEU 72 12.868 -1.642 -5.943 544 HG LEU 72 HG LEU 72 11.218 -3.028 -6.785 545 HD11 LEU 72 1HD1 LEU 72 9.718 -2.886 -4.156 546 HD12 LEU 72 2HD1 LEU 72 9.282 -3.857 -5.583 547 HD13 LEU 72 3HD1 LEU 72 10.770 -4.224 -4.677 548 HD21 LEU 72 1HD2 LEU 72 9.427 -1.654 -7.269 549 HD22 LEU 72 2HD2 LEU 72 9.351 -0.986 -5.621 550 HD23 LEU 72 3HD2 LEU 72 10.653 -0.483 -6.726 551 H GLY 73 H GLY 73 14.467 -4.198 -2.710 552 HA2 GLY 73 1HA GLY 73 16.367 -3.610 -1.598 553 HA3 GLY 73 2HA GLY 73 16.916 -3.323 -3.237 554 H SER 74 H SER 74 14.596 -1.541 -1.073 555 HA SER 74 HA SER 74 15.360 0.936 -1.987 556 HB2 SER 74 1HB SER 74 14.197 1.805 0.044 557 HB3 SER 74 2HB SER 74 13.262 0.580 -0.791 558 HG SER 74 HG SER 74 13.157 -0.303 1.169 559 H SER 75 H SER 75 16.443 2.717 -0.636 560 HA SER 75 HA SER 75 18.908 1.636 0.350 561 HB2 SER 75 1HB SER 75 17.993 4.139 -0.831 562 HB3 SER 75 2HB SER 75 18.887 4.466 0.640 563 HG SER 75 HG SER 75 20.596 4.246 -0.647 564 H ASN 76 H ASN 76 17.703 0.624 2.264 565 HA ASN 76 HA ASN 76 18.312 1.809 4.563 566 HB2 ASN 76 1HB ASN 76 15.985 3.134 3.446 567 HB3 ASN 76 2HB ASN 76 15.472 2.259 4.876 568 HD21 ASN 76 1HD2 ASN 76 15.934 5.162 4.185 569 HD22 ASN 76 2HD2 ASN 76 16.912 5.796 5.466 570 H GLY 77 H GLY 77 15.305 0.384 3.067 571 HA2 GLY 77 1HA GLY 77 15.002 -2.015 3.240 572 HA3 GLY 77 2HA GLY 77 15.600 -1.932 4.885 573 H THR 78 H THR 78 12.953 -2.893 3.786 574 HA THR 78 HA THR 78 11.157 -0.946 5.057 575 HB THR 78 HB THR 78 10.503 -3.341 3.268 576 HG1 THR 78 HG1 THR 78 11.375 -1.975 1.761 577 HG21 THR 78 1HG2 THR 78 8.624 -2.227 4.637 578 HG22 THR 78 2HG2 THR 78 8.985 -0.729 3.744 579 HG23 THR 78 3HG2 THR 78 8.410 -2.170 2.871 580 H LEU 79 H LEU 79 9.735 -1.526 6.713 581 HA LEU 79 HA LEU 79 10.418 -4.094 7.969 582 HB2 LEU 79 1HB LEU 79 9.985 -1.361 9.126 583 HB3 LEU 79 2HB LEU 79 9.661 -2.789 10.088 584 HG LEU 79 HG LEU 79 12.323 -2.219 8.761 585 HD11 LEU 79 1HD1 LEU 79 12.149 -0.486 10.307 586 HD12 LEU 79 2HD1 LEU 79 11.279 -1.492 11.490 587 HD13 LEU 79 3HD1 LEU 79 13.015 -1.758 11.202 588 HD21 LEU 79 1HD2 LEU 79 12.107 -4.016 11.107 589 HD22 LEU 79 2HD2 LEU 79 11.412 -4.620 9.583 590 HD23 LEU 79 3HD2 LEU 79 13.123 -4.133 9.650 591 H LEU 80 H LEU 80 8.716 -5.363 8.787 592 HA LEU 80 HA LEU 80 6.035 -4.343 8.166 593 HB2 LEU 80 1HB LEU 80 6.907 -5.916 6.431 594 HB3 LEU 80 2HB LEU 80 7.007 -7.158 7.664 595 HG LEU 80 HG LEU 80 4.575 -7.040 8.008 596 HD11 LEU 80 1HD1 LEU 80 3.821 -4.923 7.559 597 HD12 LEU 80 2HD1 LEU 80 4.800 -4.762 6.081 598 HD13 LEU 80 3HD1 LEU 80 3.330 -5.765 6.070 599 HD21 LEU 80 1HD2 LEU 80 4.950 -8.745 6.558 600 HD22 LEU 80 2HD2 LEU 80 4.010 -7.688 5.478 601 HD23 LEU 80 3HD2 LEU 80 5.786 -7.711 5.375 602 H ASN 81 H ASN 81 5.187 -3.946 10.154 603 HA ASN 81 HA ASN 81 4.370 -4.350 12.125 604 HB2 ASN 81 1HB ASN 81 5.218 -7.267 11.711 605 HB3 ASN 81 2HB ASN 81 4.138 -6.706 12.972 606 HD21 ASN 81 1HD2 ASN 81 4.359 -7.967 9.913 607 HD22 ASN 81 2HD2 ASN 81 2.773 -7.627 9.305 608 H SER 82 H SER 82 7.064 -6.810 11.939 609 HA SER 82 HA SER 82 8.775 -5.181 13.495 610 HB2 SER 82 1HB SER 82 7.048 -6.369 15.119 611 HB3 SER 82 2HB SER 82 8.039 -7.788 14.842 612 HG SER 82 HG SER 82 9.807 -6.803 15.791 613 H ASN 83 H ASN 83 9.130 -6.168 10.954 614 HA ASN 83 HA ASN 83 11.349 -7.903 11.376 615 HB2 ASN 83 1HB ASN 83 8.782 -8.922 10.324 616 HB3 ASN 83 2HB ASN 83 10.089 -9.173 9.184 617 HD21 ASN 83 1HD2 ASN 83 9.181 -9.559 12.587 618 HD22 ASN 83 2HD2 ASN 83 10.099 -10.993 12.907 619 H ALA 84 H ALA 84 12.915 -7.483 9.736 620 HA ALA 84 HA ALA 84 12.265 -5.347 7.920 621 HB1 ALA 84 1HB ALA 84 14.599 -6.456 9.214 622 HB2 ALA 84 2HB ALA 84 14.879 -6.360 7.459 623 HB3 ALA 84 3HB ALA 84 14.419 -4.900 8.368 624 H LEU 85 H LEU 85 11.570 -5.610 5.859 625 HA LEU 85 HA LEU 85 11.265 -8.225 4.809 626 HB2 LEU 85 1HB LEU 85 10.956 -5.574 3.399 627 HB3 LEU 85 2HB LEU 85 10.288 -7.118 2.909 628 HG LEU 85 HG LEU 85 9.538 -5.679 5.468 629 HD11 LEU 85 1HD1 LEU 85 8.255 -4.321 4.277 630 HD12 LEU 85 2HD1 LEU 85 8.783 -5.099 2.766 631 HD13 LEU 85 3HD1 LEU 85 7.370 -5.730 3.645 632 HD21 LEU 85 1HD2 LEU 85 8.198 -7.399 5.991 633 HD22 LEU 85 2HD2 LEU 85 7.701 -7.663 4.302 634 HD23 LEU 85 3HD2 LEU 85 9.243 -8.330 4.891 635 H ASP 86 H ASP 86 12.027 -8.641 2.414 636 HA ASP 86 HA ASP 86 14.788 -7.736 2.219 637 HB2 ASP 86 1HB ASP 86 14.001 -10.332 2.862 638 HB3 ASP 86 2HB ASP 86 14.205 -10.435 1.124 639 HA PRO 87 HA PRO 87 13.647 -7.078 -1.964 640 HB2 PRO 87 1HB PRO 87 16.049 -7.214 -3.258 641 HB3 PRO 87 2HB PRO 87 15.516 -5.798 -2.374 642 HG2 PRO 87 1HG PRO 87 17.532 -7.817 -1.600 643 HG3 PRO 87 2HG PRO 87 17.291 -6.204 -0.958 644 HD2 PRO 87 1HD PRO 87 16.518 -8.675 0.276 645 HD3 PRO 87 2HD PRO 87 16.175 -7.059 0.861 646 H GLU 88 H GLU 88 15.691 -9.876 -1.452 647 HA GLU 88 HA GLU 88 14.601 -11.042 -3.847 648 HB2 GLU 88 1HB GLU 88 16.629 -12.094 -1.825 649 HB3 GLU 88 2HB GLU 88 16.169 -12.934 -3.293 650 HG2 GLU 88 1HG GLU 88 16.859 -10.784 -4.567 651 HG3 GLU 88 2HG GLU 88 17.583 -10.245 -3.065 652 H THR 89 H THR 89 13.005 -10.425 -1.276 653 HA THR 89 HA THR 89 11.759 -13.063 -1.126 654 HB THR 89 HB THR 89 12.347 -11.428 1.381 655 HG1 THR 89 HG1 THR 89 14.289 -12.663 1.471 656 HG21 THR 89 1HG2 THR 89 10.851 -13.791 0.881 657 HG22 THR 89 2HG2 THR 89 12.408 -14.357 1.533 658 HG23 THR 89 3HG2 THR 89 11.415 -13.212 2.467 659 H SER 90 H SER 90 9.539 -13.034 -0.893 660 HA SER 90 HA SER 90 8.416 -10.343 -0.801 661 HB2 SER 90 1HB SER 90 6.704 -11.032 -2.391 662 HB3 SER 90 2HB SER 90 8.279 -11.375 -3.077 663 HG SER 90 HG SER 90 6.429 -13.244 -1.878 664 H VAL 91 H VAL 91 6.778 -10.020 0.707 665 HA VAL 91 HA VAL 91 5.895 -12.428 2.141 666 HB VAL 91 HB VAL 91 6.078 -9.576 3.129 667 HG11 VAL 91 1HG1 VAL 91 5.505 -12.190 4.566 668 HG12 VAL 91 2HG1 VAL 91 5.780 -10.623 5.364 669 HG13 VAL 91 3HG1 VAL 91 4.371 -10.844 4.299 670 HG21 VAL 91 1HG2 VAL 91 8.111 -10.070 4.179 671 HG22 VAL 91 2HG2 VAL 91 7.898 -11.826 3.986 672 HG23 VAL 91 3HG2 VAL 91 8.282 -10.815 2.572 673 H ASN 92 H ASN 92 3.638 -12.383 2.955 674 HA ASN 92 HA ASN 92 1.984 -11.095 0.964 675 HB2 ASN 92 1HB ASN 92 1.620 -13.410 2.897 676 HB3 ASN 92 2HB ASN 92 0.199 -12.617 2.248 677 HD21 ASN 92 1HD2 ASN 92 3.059 -14.481 1.533 678 HD22 ASN 92 2HD2 ASN 92 2.627 -15.004 -0.060 679 H LEU 93 H LEU 93 0.716 -9.309 1.541 680 HA LEU 93 HA LEU 93 0.978 -8.178 4.100 681 HB2 LEU 93 1HB LEU 93 -0.800 -7.594 1.738 682 HB3 LEU 93 2HB LEU 93 -0.860 -6.655 3.217 683 HG LEU 93 HG LEU 93 1.602 -6.999 1.481 684 HD11 LEU 93 1HD1 LEU 93 0.900 -4.341 1.382 685 HD12 LEU 93 2HD1 LEU 93 0.583 -5.552 0.117 686 HD13 LEU 93 3HD1 LEU 93 -0.677 -5.165 1.313 687 HD21 LEU 93 1HD2 LEU 93 1.089 -5.589 4.073 688 HD22 LEU 93 2HD2 LEU 93 2.499 -6.539 3.544 689 HD23 LEU 93 3HD2 LEU 93 2.246 -4.894 2.913 690 H GLY 94 H GLY 94 -0.901 -7.620 5.561 691 HA2 GLY 94 1HA GLY 94 -2.987 -9.698 5.542 692 HA3 GLY 94 2HA GLY 94 -1.975 -9.497 6.959 693 H ASP 95 H ASP 95 -4.200 -9.054 7.951 694 HA ASP 95 HA ASP 95 -5.124 -6.383 7.328 695 HB2 ASP 95 1HB ASP 95 -6.726 -7.455 9.386 696 HB3 ASP 95 2HB ASP 95 -7.136 -7.365 7.684 697 H GLY 96 H GLY 96 -3.918 -4.854 8.496 698 HA2 GLY 96 1HA GLY 96 -3.689 -3.721 10.551 699 HA3 GLY 96 2HA GLY 96 -3.736 -5.250 11.407 700 H ASP 97 H ASP 97 -1.851 -4.908 8.409 701 HA ASP 97 HA ASP 97 0.499 -5.526 9.925 702 HB2 ASP 97 1HB ASP 97 0.014 -5.155 6.932 703 HB3 ASP 97 2HB ASP 97 1.554 -5.639 7.614 704 H VAL 98 H VAL 98 2.006 -3.950 10.526 705 HA VAL 98 HA VAL 98 1.596 -1.266 9.470 706 HB VAL 98 HB VAL 98 2.926 -2.451 11.886 707 HG11 VAL 98 1HG1 VAL 98 3.292 0.304 12.105 708 HG12 VAL 98 2HG1 VAL 98 4.554 -0.917 11.809 709 HG13 VAL 98 3HG1 VAL 98 3.795 -0.071 10.439 710 HG21 VAL 98 1HG2 VAL 98 1.505 -0.555 12.934 711 HG22 VAL 98 2HG2 VAL 98 0.689 -0.497 11.353 712 HG23 VAL 98 3HG2 VAL 98 0.670 -1.997 12.310 713 H ILE 99 H ILE 99 2.944 -0.357 7.992 714 HA ILE 99 HA ILE 99 5.400 -1.854 7.406 715 HB ILE 99 HB ILE 99 3.832 -0.015 5.598 716 HG12 ILE 99 1HG1 ILE 99 3.884 -3.044 5.563 717 HG13 ILE 99 2HG1 ILE 99 2.596 -2.100 6.283 718 HG21 ILE 99 1HG2 ILE 99 6.408 -0.500 5.324 719 HG22 ILE 99 2HG2 ILE 99 5.821 -2.037 4.646 720 HG23 ILE 99 3HG2 ILE 99 5.315 -0.493 3.919 721 HD11 ILE 99 1HD1 ILE 99 2.821 -0.889 3.807 722 HD12 ILE 99 2HD1 ILE 99 3.207 -2.583 3.423 723 HD13 ILE 99 3HD1 ILE 99 1.659 -2.178 4.202 724 H LYS 100 H LYS 100 7.091 -0.947 8.463 725 HA LYS 100 HA LYS 100 7.095 1.964 8.726 726 HB2 LYS 100 1HB LYS 100 8.278 -0.303 10.271 727 HB3 LYS 100 2HB LYS 100 9.165 1.208 10.242 728 HG2 LYS 100 1HG LYS 100 7.515 2.372 11.400 729 HG3 LYS 100 2HG LYS 100 6.210 1.408 10.737 730 HD2 LYS 100 1HD LYS 100 6.173 0.363 12.762 731 HD3 LYS 100 2HD LYS 100 7.600 -0.490 12.206 732 HE2 LYS 100 1HE LYS 100 9.086 0.980 13.359 733 HE3 LYS 100 2HE LYS 100 7.874 2.235 13.520 734 HZ1 LYS 100 1HZ LYS 100 6.722 0.936 15.094 735 HZ2 LYS 100 2HZ LYS 100 7.640 -0.386 14.820 736 HZ3 LYS 100 3HZ LYS 100 8.291 0.923 15.548 737 H LEU 101 H LEU 101 7.952 2.944 6.958 738 HA LEU 101 HA LEU 101 10.503 1.849 6.006 739 HB2 LEU 101 1HB LEU 101 9.926 2.309 3.761 740 HB3 LEU 101 2HB LEU 101 8.647 1.336 4.459 741 HG LEU 101 HG LEU 101 8.311 4.310 4.450 742 HD11 LEU 101 1HD1 LEU 101 7.790 4.524 2.223 743 HD12 LEU 101 2HD1 LEU 101 9.155 3.385 2.144 744 HD13 LEU 101 3HD1 LEU 101 7.485 2.784 2.008 745 HD21 LEU 101 1HD2 LEU 101 5.943 3.186 3.696 746 HD22 LEU 101 2HD2 LEU 101 6.637 1.901 4.714 747 HD23 LEU 101 3HD2 LEU 101 6.419 3.540 5.375 748 H GLY 102 H GLY 102 11.775 3.617 4.759 749 HA2 GLY 102 1HA GLY 102 12.720 5.660 4.707 750 HA3 GLY 102 2HA GLY 102 11.218 6.343 5.298 751 H GLU 103 H GLU 103 11.707 7.613 7.044 752 HA GLU 103 HA GLU 103 13.670 6.561 8.907 753 HB2 GLU 103 1HB GLU 103 12.492 9.368 8.698 754 HB3 GLU 103 2HB GLU 103 13.787 8.883 9.774 755 HG2 GLU 103 1HG GLU 103 14.874 8.015 7.450 756 HG3 GLU 103 2HG GLU 103 13.837 9.263 6.789 757 H TYR 104 H TYR 104 10.553 8.447 9.035 758 HA TYR 104 HA TYR 104 9.749 6.708 11.258 759 HB2 TYR 104 1HB TYR 104 9.704 9.767 10.919 760 HB3 TYR 104 2HB TYR 104 8.737 8.967 12.143 761 HD1 TYR 104 HD1 TYR 104 9.883 7.702 14.001 762 HD2 TYR 104 HD2 TYR 104 12.038 10.167 11.247 763 HE1 TYR 104 HE1 TYR 104 11.860 7.770 15.598 764 HE2 TYR 104 HE2 TYR 104 14.008 10.227 12.853 765 HH TYR 104 HH TYR 104 14.426 9.964 15.195 766 H THR 105 H THR 105 8.939 6.136 8.693 767 HA THR 105 HA THR 105 6.220 7.270 8.597 768 HB THR 105 HB THR 105 8.191 6.397 6.437 769 HG1 THR 105 HG1 THR 105 8.044 8.638 7.329 770 HG21 THR 105 1HG2 THR 105 6.397 5.684 5.193 771 HG22 THR 105 2HG2 THR 105 5.234 6.272 6.406 772 HG23 THR 105 3HG2 THR 105 5.886 7.389 5.183 773 H SER 106 H SER 106 4.615 5.943 9.141 774 HA SER 106 HA SER 106 5.153 3.097 8.791 775 HB2 SER 106 1HB SER 106 3.511 4.405 11.005 776 HB3 SER 106 2HB SER 106 3.753 2.681 10.804 777 HG SER 106 HG SER 106 5.911 4.576 11.185 778 H ILE 107 H ILE 107 3.533 1.898 7.752 779 HA ILE 107 HA ILE 107 1.078 3.382 7.120 780 HB ILE 107 HB ILE 107 2.554 1.491 5.288 781 HG12 ILE 107 1HG1 ILE 107 2.496 4.522 5.315 782 HG13 ILE 107 2HG1 ILE 107 3.887 3.498 5.611 783 HG21 ILE 107 1HG2 ILE 107 0.932 2.844 3.665 784 HG22 ILE 107 2HG2 ILE 107 0.425 1.356 4.500 785 HG23 ILE 107 3HG2 ILE 107 -0.042 2.945 5.151 786 HD11 ILE 107 1HD1 ILE 107 2.425 4.006 3.015 787 HD12 ILE 107 2HD1 ILE 107 4.173 4.034 3.346 788 HD13 ILE 107 3HD1 ILE 107 3.314 2.479 3.232 789 H LEU 108 H LEU 108 -0.823 2.336 7.542 790 HA LEU 108 HA LEU 108 -0.539 -0.363 8.633 791 HB2 LEU 108 1HB LEU 108 -1.534 0.843 10.274 792 HB3 LEU 108 2HB LEU 108 -2.303 1.959 9.163 793 HG LEU 108 HG LEU 108 -3.980 0.237 8.587 794 HD11 LEU 108 1HD1 LEU 108 -3.856 -1.639 10.608 795 HD12 LEU 108 2HD1 LEU 108 -3.403 -1.894 8.906 796 HD13 LEU 108 3HD1 LEU 108 -2.157 -1.473 10.104 797 HD21 LEU 108 1HD2 LEU 108 -3.772 0.742 11.569 798 HD22 LEU 108 2HD2 LEU 108 -4.403 1.892 10.366 799 HD23 LEU 108 3HD2 LEU 108 -5.246 0.350 10.652 800 H VAL 109 H VAL 109 -1.523 -2.123 7.703 801 HA VAL 109 HA VAL 109 -2.815 -1.591 5.137 802 HB VAL 109 HB VAL 109 -1.541 -4.045 6.354 803 HG11 VAL 109 1HG1 VAL 109 -2.482 -3.959 3.505 804 HG12 VAL 109 2HG1 VAL 109 -2.208 -5.355 4.574 805 HG13 VAL 109 3HG1 VAL 109 -3.648 -4.333 4.796 806 HG21 VAL 109 1HG2 VAL 109 0.124 -2.505 5.607 807 HG22 VAL 109 2HG2 VAL 109 -0.002 -3.773 4.364 808 HG23 VAL 109 3HG2 VAL 109 -0.755 -2.184 4.094 809 H ASN 110 H ASN 110 -4.992 -1.666 4.993 810 HA ASN 110 HA ASN 110 -6.341 -3.330 6.970 811 HB2 ASN 110 1HB ASN 110 -6.640 -0.462 6.398 812 HB3 ASN 110 2HB ASN 110 -8.159 -1.297 6.139 813 HD21 ASN 110 1HD2 ASN 110 -5.452 -1.786 8.402 814 HD22 ASN 110 2HD2 ASN 110 -6.373 -1.713 9.867 815 H PHE 111 H PHE 111 -7.838 -4.774 6.036 816 HA PHE 111 HA PHE 111 -8.088 -4.656 3.149 817 HB2 PHE 111 1HB PHE 111 -8.789 -6.636 5.390 818 HB3 PHE 111 2HB PHE 111 -9.243 -6.946 3.726 819 HD1 PHE 111 HD2 PHE 111 -6.791 -5.936 2.336 820 HD2 PHE 111 HD1 PHE 111 -7.233 -8.329 5.812 821 HE1 PHE 111 HE2 PHE 111 -4.541 -6.966 1.913 822 HE2 PHE 111 HE1 PHE 111 -4.983 -9.358 5.390 823 HZ PHE 111 HZ PHE 111 -3.664 -8.665 3.445 824 H VAL 112 H VAL 112 -9.707 -3.345 2.403 825 HA VAL 112 HA VAL 112 -12.159 -3.182 3.962 826 HB VAL 112 HB VAL 112 -11.184 -1.670 1.530 827 HG11 VAL 112 1HG1 VAL 112 -13.312 -0.471 3.168 828 HG12 VAL 112 2HG1 VAL 112 -13.156 -0.598 1.400 829 HG13 VAL 112 3HG1 VAL 112 -13.801 -1.967 2.337 830 HG21 VAL 112 1HG2 VAL 112 -10.671 0.142 3.010 831 HG22 VAL 112 2HG2 VAL 112 -11.399 -0.704 4.397 832 HG23 VAL 112 3HG2 VAL 112 -9.897 -1.319 3.668 833 H SER 113 H SER 113 -13.711 -4.673 3.586 834 HA SER 113 HA SER 113 -13.950 -5.585 0.824 835 HB2 SER 113 1HB SER 113 -13.240 -7.491 2.041 836 HB3 SER 113 2HB SER 113 -14.202 -7.078 3.446 837 HG SER 113 HG SER 113 -16.096 -7.712 2.377 838 H GLY 114 H GLY 114 -15.715 -4.544 -0.045 839 HA2 GLY 114 1HA GLY 114 -18.107 -4.597 -0.168 840 HA3 GLY 114 2HA GLY 114 -18.181 -4.505 1.580 841 HA PRO 115 HA PRO 115 -18.354 -0.264 -0.230 842 HB2 PRO 115 1HB PRO 115 -21.002 0.314 0.125 843 HB3 PRO 115 2HB PRO 115 -20.340 -0.252 -1.396 844 HG2 PRO 115 1HG PRO 115 -21.952 -1.734 0.591 845 HG3 PRO 115 2HG PRO 115 -21.648 -2.127 -1.090 846 HD2 PRO 115 1HD PRO 115 -20.426 -3.340 1.205 847 HD3 PRO 115 2HD PRO 115 -20.039 -3.650 -0.476 848 H SER 116 H SER 116 -18.164 1.684 0.876 849 HA SER 116 HA SER 116 -17.480 1.511 3.442 850 HB2 SER 116 1HB SER 116 -17.722 3.920 3.573 851 HB3 SER 116 2HB SER 116 -17.226 3.514 1.942 852 HG SER 116 HG SER 116 -19.895 4.180 2.844 853 H SER 117 H SER 117 -18.492 1.221 5.414 854 HA SER 117 HA SER 117 -21.208 0.588 5.433 855 HB2 SER 117 1HB SER 117 -20.880 0.512 7.943 856 HB3 SER 117 2HB SER 117 -19.741 -0.459 7.032 857 HG SER 117 HG SER 117 -18.647 0.768 8.663 858 H GLY 118 H GLY 118 -22.964 1.689 6.635 859 HA2 GLY 118 1HA GLY 118 -23.082 3.967 7.964 860 HA3 GLY 118 2HA GLY 118 -22.758 4.588 6.358 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -32.045 -2.330 -15.587 2 HA2 GLY 1 1HA GLY 1 -30.609 -0.934 -13.542 3 HA3 GLY 1 2HA GLY 1 -32.344 -0.815 -13.324 4 H SER 2 H SER 2 -29.762 -3.265 -14.050 5 HA SER 2 HA SER 2 -31.073 -4.987 -12.127 6 HB2 SER 2 1HB SER 2 -31.513 -5.438 -14.778 7 HB3 SER 2 2HB SER 2 -30.018 -6.332 -14.587 8 HG SER 2 HG SER 2 -32.404 -6.681 -12.977 9 H SER 3 H SER 3 -29.382 -4.771 -10.623 10 HA SER 3 HA SER 3 -27.129 -6.327 -11.058 11 HB2 SER 3 1HB SER 3 -25.346 -4.673 -11.132 12 HB3 SER 3 2HB SER 3 -26.435 -4.380 -12.474 13 HG SER 3 HG SER 3 -26.185 -2.899 -10.014 14 H GLY 4 H GLY 4 -26.416 -6.966 -9.028 15 HA2 GLY 4 1HA GLY 4 -26.096 -5.365 -6.798 16 HA3 GLY 4 2HA GLY 4 -27.745 -5.955 -6.725 17 H SER 5 H SER 5 -24.387 -7.175 -7.412 18 HA SER 5 HA SER 5 -25.198 -9.639 -6.089 19 HB2 SER 5 1HB SER 5 -22.998 -9.051 -8.111 20 HB3 SER 5 2HB SER 5 -23.088 -10.566 -7.235 21 HG SER 5 HG SER 5 -24.229 -11.008 -9.068 22 H SER 6 H SER 6 -23.403 -10.722 -4.754 23 HA SER 6 HA SER 6 -21.609 -8.721 -3.645 24 HB2 SER 6 1HB SER 6 -22.086 -9.631 -1.353 25 HB3 SER 6 2HB SER 6 -23.461 -8.823 -2.079 26 HG SER 6 HG SER 6 -24.575 -10.652 -2.033 27 H GLY 7 H GLY 7 -19.557 -9.546 -3.011 28 HA2 GLY 7 1HA GLY 7 -18.994 -12.273 -2.620 29 HA3 GLY 7 2HA GLY 7 -18.659 -11.867 -4.291 30 H MET 8 H MET 8 -16.786 -10.748 -4.823 31 HA MET 8 HA MET 8 -14.866 -9.753 -4.593 32 HB2 MET 8 1HB MET 8 -16.296 -8.069 -3.253 33 HB3 MET 8 2HB MET 8 -15.768 -8.882 -1.794 34 HG2 MET 8 1HG MET 8 -14.220 -7.099 -2.000 35 HG3 MET 8 2HG MET 8 -13.336 -8.463 -2.657 36 HE1 MET 8 1HE MET 8 -13.521 -5.302 -2.740 37 HE2 MET 8 2HE MET 8 -12.245 -5.432 -3.974 38 HE3 MET 8 3HE MET 8 -13.767 -4.590 -4.353 39 H VAL 9 H VAL 9 -13.595 -11.651 -4.567 40 HA VAL 9 HA VAL 9 -13.149 -12.954 -2.022 41 HB VAL 9 HB VAL 9 -11.948 -14.585 -3.320 42 HG11 VAL 9 1HG1 VAL 9 -14.319 -14.904 -3.308 43 HG12 VAL 9 2HG1 VAL 9 -14.553 -13.689 -4.588 44 HG13 VAL 9 3HG1 VAL 9 -13.752 -15.233 -4.963 45 HG21 VAL 9 1HG2 VAL 9 -10.778 -13.955 -5.112 46 HG22 VAL 9 2HG2 VAL 9 -12.311 -13.823 -6.007 47 HG23 VAL 9 3HG2 VAL 9 -11.633 -12.396 -5.187 48 H THR 10 H THR 10 -12.093 -10.134 -3.368 49 HA THR 10 HA THR 10 -9.513 -10.376 -1.995 50 HB THR 10 HB THR 10 -9.774 -8.874 -4.624 51 HG1 THR 10 HG1 THR 10 -9.280 -11.706 -4.030 52 HG21 THR 10 1HG2 THR 10 -7.387 -9.477 -4.814 53 HG22 THR 10 2HG2 THR 10 -7.659 -8.695 -3.238 54 HG23 THR 10 3HG2 THR 10 -7.493 -10.464 -3.337 55 HA PRO 11 HA PRO 11 -11.262 -6.799 -0.239 56 HB2 PRO 11 1HB PRO 11 -9.523 -6.593 1.859 57 HB3 PRO 11 2HB PRO 11 -10.969 -7.582 1.907 58 HG2 PRO 11 1HG PRO 11 -8.152 -8.430 1.617 59 HG3 PRO 11 2HG PRO 11 -9.543 -9.386 2.088 60 HD2 PRO 11 1HD PRO 11 -8.248 -9.383 -0.472 61 HD3 PRO 11 2HD PRO 11 -9.708 -10.251 -0.036 62 H SER 12 H SER 12 -10.981 -4.590 -0.329 63 HA SER 12 HA SER 12 -8.998 -3.818 -2.111 64 HB2 SER 12 1HB SER 12 -10.777 -2.344 -2.144 65 HB3 SER 12 2HB SER 12 -11.056 -2.463 -0.418 66 HG SER 12 HG SER 12 -10.150 -0.367 -1.282 67 H LEU 13 H LEU 13 -7.089 -2.467 -1.766 68 HA LEU 13 HA LEU 13 -5.864 -3.015 0.813 69 HB2 LEU 13 1HB LEU 13 -4.750 -3.597 -1.336 70 HB3 LEU 13 2HB LEU 13 -4.660 -1.889 -1.718 71 HG LEU 13 HG LEU 13 -3.236 -1.507 0.253 72 HD11 LEU 13 1HD1 LEU 13 -4.055 -3.233 1.735 73 HD12 LEU 13 2HD1 LEU 13 -3.444 -4.504 0.649 74 HD13 LEU 13 3HD1 LEU 13 -2.303 -3.431 1.494 75 HD21 LEU 13 1HD2 LEU 13 -2.514 -3.219 -2.024 76 HD22 LEU 13 2HD2 LEU 13 -1.741 -1.744 -1.396 77 HD23 LEU 13 3HD2 LEU 13 -1.393 -3.320 -0.645 78 H ARG 14 H ARG 14 -6.115 -1.556 2.411 79 HA ARG 14 HA ARG 14 -6.362 1.217 1.565 80 HB2 ARG 14 1HB ARG 14 -8.354 0.354 2.768 81 HB3 ARG 14 2HB ARG 14 -7.352 -0.170 4.107 82 HG2 ARG 14 1HG ARG 14 -6.588 2.405 4.104 83 HG3 ARG 14 2HG ARG 14 -8.127 2.633 3.298 84 HD2 ARG 14 1HD ARG 14 -8.762 0.908 5.428 85 HD3 ARG 14 2HD ARG 14 -7.577 1.993 6.127 86 HE ARG 14 HE ARG 14 -9.453 3.546 4.616 87 HH11 ARG 14 1HH1 ARG 14 -9.276 1.647 7.573 88 HH12 ARG 14 2HH1 ARG 14 -10.524 2.541 8.374 89 HH21 ARG 14 1HH2 ARG 14 -11.100 4.727 5.672 90 HH22 ARG 14 2HH2 ARG 14 -11.569 4.305 7.285 91 H LEU 15 H LEU 15 -4.298 2.101 1.708 92 HA LEU 15 HA LEU 15 -2.589 1.267 3.899 93 HB2 LEU 15 1HB LEU 15 -2.142 2.982 1.456 94 HB3 LEU 15 2HB LEU 15 -0.930 2.730 2.697 95 HG LEU 15 HG LEU 15 -2.198 0.472 1.129 96 HD11 LEU 15 1HD1 LEU 15 -0.930 0.938 -0.627 97 HD12 LEU 15 2HD1 LEU 15 -0.391 2.434 0.172 98 HD13 LEU 15 3HD1 LEU 15 0.530 0.927 0.390 99 HD21 LEU 15 1HD2 LEU 15 0.487 0.232 2.371 100 HD22 LEU 15 2HD2 LEU 15 -0.908 0.279 3.476 101 HD23 LEU 15 3HD2 LEU 15 -0.821 -0.964 2.205 102 H VAL 16 H VAL 16 -2.910 2.224 5.835 103 HA VAL 16 HA VAL 16 -3.817 5.004 5.823 104 HB VAL 16 HB VAL 16 -3.733 2.918 8.013 105 HG11 VAL 16 1HG1 VAL 16 -5.177 5.579 8.082 106 HG12 VAL 16 2HG1 VAL 16 -4.878 4.443 9.420 107 HG13 VAL 16 3HG1 VAL 16 -3.527 5.362 8.715 108 HG21 VAL 16 1HG2 VAL 16 -6.362 3.885 7.209 109 HG22 VAL 16 2HG2 VAL 16 -5.492 3.128 5.853 110 HG23 VAL 16 3HG2 VAL 16 -5.755 2.218 7.360 111 H PHE 17 H PHE 17 -2.526 6.664 6.518 112 HA PHE 17 HA PHE 17 0.230 5.981 7.035 113 HB2 PHE 17 1HB PHE 17 -1.492 8.405 6.418 114 HB3 PHE 17 2HB PHE 17 0.044 8.711 7.205 115 HD1 PHE 17 HD1 PHE 17 2.121 7.529 6.070 116 HD2 PHE 17 HD2 PHE 17 -1.554 8.340 4.109 117 HE1 PHE 17 HE1 PHE 17 3.282 7.419 3.848 118 HE2 PHE 17 HE2 PHE 17 -0.393 8.230 1.887 119 HZ PHE 17 HZ PHE 17 2.012 7.771 1.782 120 H VAL 18 H VAL 18 0.129 5.012 9.148 121 HA VAL 18 HA VAL 18 -1.108 6.383 11.303 122 HB VAL 18 HB VAL 18 0.259 4.686 12.631 123 HG11 VAL 18 1HG1 VAL 18 -1.151 2.743 11.643 124 HG12 VAL 18 2HG1 VAL 18 -1.995 4.158 12.318 125 HG13 VAL 18 3HG1 VAL 18 -1.814 3.987 10.556 126 HG21 VAL 18 1HG2 VAL 18 0.669 2.972 10.310 127 HG22 VAL 18 2HG2 VAL 18 1.659 4.449 10.228 128 HG23 VAL 18 3HG2 VAL 18 1.778 3.375 11.643 129 H LYS 19 H LYS 19 2.134 6.326 9.813 130 HA LYS 19 HA LYS 19 2.842 8.545 11.578 131 HB2 LYS 19 1HB LYS 19 4.702 6.229 10.970 132 HB3 LYS 19 2HB LYS 19 5.073 7.644 11.935 133 HG2 LYS 19 1HG LYS 19 2.695 6.650 13.082 134 HG3 LYS 19 2HG LYS 19 3.607 5.206 12.690 135 HD2 LYS 19 1HD LYS 19 5.494 5.902 14.015 136 HD3 LYS 19 2HD LYS 19 4.911 7.551 14.126 137 HE2 LYS 19 1HE LYS 19 2.803 6.431 15.303 138 HE3 LYS 19 2HE LYS 19 3.895 5.085 15.563 139 HZ1 LYS 19 1HZ LYS 19 5.099 6.265 17.011 140 HZ2 LYS 19 2HZ LYS 19 4.949 7.681 16.212 141 HZ3 LYS 19 3HZ LYS 19 3.740 7.155 17.176 142 H GLY 20 H GLY 20 5.223 9.321 10.587 143 HA2 GLY 20 1HA GLY 20 6.398 9.848 8.650 144 HA3 GLY 20 2HA GLY 20 5.059 9.295 7.663 145 HA PRO 21 HA PRO 21 4.812 13.843 7.931 146 HB2 PRO 21 1HB PRO 21 5.069 14.416 5.272 147 HB3 PRO 21 2HB PRO 21 6.415 14.446 6.393 148 HG2 PRO 21 1HG PRO 21 5.755 12.419 4.345 149 HG3 PRO 21 2HG PRO 21 7.279 12.695 5.165 150 HD2 PRO 21 1HD PRO 21 5.395 10.601 5.704 151 HD3 PRO 21 2HD PRO 21 6.862 10.947 6.599 152 H ARG 22 H ARG 22 3.226 11.367 6.233 153 HA ARG 22 HA ARG 22 0.992 13.166 5.800 154 HB2 ARG 22 1HB ARG 22 2.055 10.790 4.406 155 HB3 ARG 22 2HB ARG 22 0.333 10.650 4.699 156 HG2 ARG 22 1HG ARG 22 -0.086 12.082 2.994 157 HG3 ARG 22 2HG ARG 22 0.808 13.343 3.820 158 HD2 ARG 22 1HD ARG 22 2.771 12.946 2.617 159 HD3 ARG 22 2HD ARG 22 2.431 11.240 2.407 160 HE ARG 22 HE ARG 22 0.433 12.402 0.921 161 HH11 ARG 22 1HH1 ARG 22 3.918 12.880 0.998 162 HH12 ARG 22 2HH1 ARG 22 4.020 13.339 -0.669 163 HH21 ARG 22 1HH2 ARG 22 0.567 13.007 -1.278 164 HH22 ARG 22 2HH2 ARG 22 2.101 13.412 -1.972 165 H GLU 23 H GLU 23 2.029 11.694 8.375 166 HA GLU 23 HA GLU 23 0.424 9.639 9.071 167 HB2 GLU 23 1HB GLU 23 2.183 10.266 10.550 168 HB3 GLU 23 2HB GLU 23 1.611 11.917 10.683 169 HG2 GLU 23 1HG GLU 23 -0.338 11.220 11.981 170 HG3 GLU 23 2HG GLU 23 -0.001 9.527 11.681 171 H GLY 24 H GLY 24 -1.765 9.396 9.093 172 HA2 GLY 24 1HA GLY 24 -3.800 10.098 10.204 173 HA3 GLY 24 2HA GLY 24 -3.388 11.758 9.824 174 H ASP 25 H ASP 25 -2.336 9.969 7.187 175 HA ASP 25 HA ASP 25 -4.801 10.601 5.794 176 HB2 ASP 25 1HB ASP 25 -1.898 10.469 5.073 177 HB3 ASP 25 2HB ASP 25 -3.005 9.932 3.825 178 H ALA 26 H ALA 26 -5.313 8.978 3.903 179 HA ALA 26 HA ALA 26 -4.284 6.323 4.201 180 HB1 ALA 26 1HB ALA 26 -6.073 6.727 6.064 181 HB2 ALA 26 2HB ALA 26 -7.243 6.637 4.726 182 HB3 ALA 26 3HB ALA 26 -6.180 5.253 5.073 183 H LEU 27 H LEU 27 -4.976 4.944 2.428 184 HA LEU 27 HA LEU 27 -6.489 6.370 0.365 185 HB2 LEU 27 1HB LEU 27 -3.945 4.826 -0.144 186 HB3 LEU 27 2HB LEU 27 -4.926 5.666 -1.329 187 HG LEU 27 HG LEU 27 -3.913 7.333 0.906 188 HD11 LEU 27 1HD1 LEU 27 -2.089 5.572 -0.040 189 HD12 LEU 27 2HD1 LEU 27 -1.893 6.898 -1.211 190 HD13 LEU 27 3HD1 LEU 27 -1.695 7.212 0.530 191 HD21 LEU 27 1HD2 LEU 27 -4.793 7.628 -1.857 192 HD22 LEU 27 2HD2 LEU 27 -4.725 8.821 -0.537 193 HD23 LEU 27 3HD2 LEU 27 -3.279 8.505 -1.526 194 H ASP 28 H ASP 28 -7.037 4.683 -1.486 195 HA ASP 28 HA ASP 28 -7.403 2.057 -0.358 196 HB2 ASP 28 1HB ASP 28 -9.456 3.856 -0.098 197 HB3 ASP 28 2HB ASP 28 -9.820 3.224 -1.692 198 H TYR 29 H TYR 29 -7.340 0.477 -2.034 199 HA TYR 29 HA TYR 29 -7.664 1.429 -4.780 200 HB2 TYR 29 1HB TYR 29 -5.351 -0.196 -3.546 201 HB3 TYR 29 2HB TYR 29 -5.523 0.092 -5.266 202 HD1 TYR 29 HD1 TYR 29 -5.377 2.485 -6.130 203 HD2 TYR 29 HD2 TYR 29 -4.299 1.399 -2.135 204 HE1 TYR 29 HE1 TYR 29 -4.046 4.638 -5.896 205 HE2 TYR 29 HE2 TYR 29 -2.972 3.556 -1.914 206 HH TYR 29 HH TYR 29 -1.865 5.141 -3.352 207 H LYS 30 H LYS 30 -8.122 -0.292 -6.321 208 HA LYS 30 HA LYS 30 -9.660 -2.372 -5.105 209 HB2 LYS 30 1HB LYS 30 -9.251 -1.255 -7.827 210 HB3 LYS 30 2HB LYS 30 -9.698 -2.948 -7.752 211 HG2 LYS 30 1HG LYS 30 -11.848 -2.315 -7.415 212 HG3 LYS 30 2HG LYS 30 -11.376 -1.680 -5.851 213 HD2 LYS 30 1HD LYS 30 -10.680 0.481 -7.057 214 HD3 LYS 30 2HD LYS 30 -11.430 -0.169 -8.501 215 HE2 LYS 30 1HE LYS 30 -13.373 -0.535 -6.472 216 HE3 LYS 30 2HE LYS 30 -12.692 1.046 -6.145 217 HZ1 LYS 30 1HZ LYS 30 -14.518 0.453 -8.055 218 HZ2 LYS 30 2HZ LYS 30 -13.685 1.852 -7.926 219 HZ3 LYS 30 3HZ LYS 30 -13.141 0.665 -8.907 220 HA PRO 31 HA PRO 31 -6.779 -5.578 -5.322 221 HB2 PRO 31 1HB PRO 31 -8.262 -7.763 -6.026 222 HB3 PRO 31 2HB PRO 31 -8.236 -7.105 -4.402 223 HG2 PRO 31 1HG PRO 31 -10.352 -6.892 -6.455 224 HG3 PRO 31 2HG PRO 31 -10.468 -6.623 -4.727 225 HD2 PRO 31 1HD PRO 31 -10.354 -4.615 -6.772 226 HD3 PRO 31 2HD PRO 31 -10.353 -4.348 -5.040 227 H GLY 32 H GLY 32 -5.090 -6.124 -6.561 228 HA2 GLY 32 1HA GLY 32 -4.229 -7.117 -8.497 229 HA3 GLY 32 2HA GLY 32 -5.709 -6.752 -9.361 230 H SER 33 H SER 33 -4.860 -4.071 -7.423 231 HA SER 33 HA SER 33 -3.676 -2.815 -9.767 232 HB2 SER 33 1HB SER 33 -5.564 -1.909 -7.642 233 HB3 SER 33 2HB SER 33 -4.363 -0.726 -8.121 234 HG SER 33 HG SER 33 -5.275 -0.514 -10.073 235 H THR 34 H THR 34 -1.454 -2.833 -9.595 236 HA THR 34 HA THR 34 -0.092 -3.042 -7.148 237 HB THR 34 HB THR 34 0.745 -2.177 -9.964 238 HG1 THR 34 HG1 THR 34 1.420 -4.469 -9.885 239 HG21 THR 34 1HG2 THR 34 3.020 -2.537 -9.328 240 HG22 THR 34 2HG2 THR 34 2.368 -1.571 -7.982 241 HG23 THR 34 3HG2 THR 34 2.555 -3.332 -7.805 242 H ILE 35 H ILE 35 0.564 -1.617 -5.647 243 HA ILE 35 HA ILE 35 0.157 1.214 -6.321 244 HB ILE 35 HB ILE 35 -0.185 -0.233 -3.694 245 HG12 ILE 35 1HG1 ILE 35 -2.463 1.289 -4.483 246 HG13 ILE 35 2HG1 ILE 35 -1.977 0.322 -5.862 247 HG21 ILE 35 1HG2 ILE 35 -1.145 2.338 -3.366 248 HG22 ILE 35 2HG2 ILE 35 0.387 1.693 -2.729 249 HG23 ILE 35 3HG2 ILE 35 0.367 2.576 -4.275 250 HD11 ILE 35 1HD1 ILE 35 -1.805 -1.670 -4.209 251 HD12 ILE 35 2HD1 ILE 35 -2.692 -0.633 -3.066 252 HD13 ILE 35 3HD1 ILE 35 -3.438 -1.091 -4.616 253 H ARG 36 H ARG 36 2.215 1.738 -7.052 254 HA ARG 36 HA ARG 36 4.479 0.776 -5.667 255 HB2 ARG 36 1HB ARG 36 4.199 2.993 -7.760 256 HB3 ARG 36 2HB ARG 36 5.728 2.328 -7.222 257 HG2 ARG 36 1HG ARG 36 5.435 0.930 -9.027 258 HG3 ARG 36 2HG ARG 36 4.484 0.004 -7.883 259 HD2 ARG 36 1HD ARG 36 2.472 0.577 -8.874 260 HD3 ARG 36 2HD ARG 36 2.999 2.203 -9.260 261 HE ARG 36 HE ARG 36 3.065 -0.027 -11.040 262 HH11 ARG 36 1HH1 ARG 36 5.104 2.664 -10.051 263 HH12 ARG 36 2HH1 ARG 36 5.938 2.756 -11.566 264 HH21 ARG 36 1HH2 ARG 36 4.165 0.093 -13.039 265 HH22 ARG 36 2HH2 ARG 36 5.401 1.283 -13.277 266 H VAL 37 H VAL 37 5.312 1.631 -3.787 267 HA VAL 37 HA VAL 37 4.494 4.359 -3.096 268 HB VAL 37 HB VAL 37 5.592 2.155 -1.341 269 HG11 VAL 37 1HG1 VAL 37 5.047 3.509 0.517 270 HG12 VAL 37 2HG1 VAL 37 5.860 4.601 -0.630 271 HG13 VAL 37 3HG1 VAL 37 4.087 4.632 -0.475 272 HG21 VAL 37 1HG2 VAL 37 3.131 2.169 -0.508 273 HG22 VAL 37 2HG2 VAL 37 2.770 2.907 -2.087 274 HG23 VAL 37 3HG2 VAL 37 3.527 1.298 -2.009 275 H GLY 38 H GLY 38 5.962 5.943 -3.404 276 HA2 GLY 38 1HA GLY 38 8.806 5.271 -3.019 277 HA3 GLY 38 2HA GLY 38 8.279 6.064 -4.490 278 H ARG 39 H ARG 39 9.618 7.926 -3.949 279 HA ARG 39 HA ARG 39 8.556 9.435 -1.703 280 HB2 ARG 39 1HB ARG 39 10.928 9.117 -1.423 281 HB3 ARG 39 2HB ARG 39 11.257 9.455 -3.111 282 HG2 ARG 39 1HG ARG 39 10.711 11.815 -2.831 283 HG3 ARG 39 2HG ARG 39 10.078 11.538 -1.220 284 HD2 ARG 39 1HD ARG 39 12.161 11.568 -0.263 285 HD3 ARG 39 2HD ARG 39 12.861 10.575 -1.526 286 HE ARG 39 HE ARG 39 12.823 13.499 -1.427 287 HH11 ARG 39 1HH1 ARG 39 13.067 10.703 -3.550 288 HH12 ARG 39 2HH1 ARG 39 13.890 11.568 -4.804 289 HH21 ARG 39 1HH2 ARG 39 13.909 14.640 -3.082 290 HH22 ARG 39 2HH2 ARG 39 14.372 13.822 -4.537 291 H ILE 40 H ILE 40 8.979 9.279 -5.190 292 HA ILE 40 HA ILE 40 8.047 12.053 -5.422 293 HB ILE 40 HB ILE 40 8.869 11.782 -7.809 294 HG12 ILE 40 1HG1 ILE 40 10.667 9.616 -6.775 295 HG13 ILE 40 2HG1 ILE 40 9.077 9.183 -7.370 296 HG21 ILE 40 1HG2 ILE 40 10.071 13.230 -6.415 297 HG22 ILE 40 2HG2 ILE 40 10.685 11.901 -5.404 298 HG23 ILE 40 3HG2 ILE 40 11.297 12.114 -7.061 299 HD11 ILE 40 1HD1 ILE 40 9.713 10.696 -9.442 300 HD12 ILE 40 2HD1 ILE 40 11.380 10.451 -8.867 301 HD13 ILE 40 3HD1 ILE 40 10.379 9.050 -9.321 302 H VAL 41 H VAL 41 6.054 12.455 -6.286 303 HA VAL 41 HA VAL 41 4.230 10.353 -6.491 304 HB VAL 41 HB VAL 41 2.803 12.167 -7.560 305 HG11 VAL 41 1HG1 VAL 41 2.810 13.542 -5.382 306 HG12 VAL 41 2HG1 VAL 41 2.495 11.794 -5.259 307 HG13 VAL 41 3HG1 VAL 41 4.101 12.441 -4.845 308 HG21 VAL 41 1HG2 VAL 41 5.351 13.412 -7.846 309 HG22 VAL 41 2HG2 VAL 41 3.752 14.034 -8.321 310 HG23 VAL 41 3HG2 VAL 41 4.397 14.385 -6.700 311 H ARG 42 H ARG 42 6.280 12.047 -8.890 312 HA ARG 42 HA ARG 42 4.965 10.848 -11.077 313 HB2 ARG 42 1HB ARG 42 7.738 12.137 -10.919 314 HB3 ARG 42 2HB ARG 42 6.869 11.790 -12.401 315 HG2 ARG 42 1HG ARG 42 5.866 13.816 -12.241 316 HG3 ARG 42 2HG ARG 42 5.036 13.257 -10.802 317 HD2 ARG 42 1HD ARG 42 6.448 14.396 -9.375 318 HD3 ARG 42 2HD ARG 42 7.869 14.071 -10.347 319 HE ARG 42 HE ARG 42 6.250 15.854 -11.844 320 HH11 ARG 42 1HH1 ARG 42 8.036 15.852 -8.812 321 HH12 ARG 42 2HH1 ARG 42 8.338 17.558 -8.841 322 HH21 ARG 42 1HH2 ARG 42 6.649 18.104 -11.884 323 HH22 ARG 42 2HH2 ARG 42 7.544 18.847 -10.601 324 H GLY 43 H GLY 43 5.017 8.587 -11.105 325 HA2 GLY 43 1HA GLY 43 6.638 6.941 -12.117 326 HA3 GLY 43 2HA GLY 43 7.655 7.305 -10.737 327 H ASN 44 H ASN 44 6.140 7.335 -8.528 328 HA ASN 44 HA ASN 44 4.965 4.681 -8.569 329 HB2 ASN 44 1HB ASN 44 5.529 6.199 -6.012 330 HB3 ASN 44 2HB ASN 44 5.607 4.473 -6.301 331 HD21 ASN 44 1HD2 ASN 44 7.216 7.537 -6.596 332 HD22 ASN 44 2HD2 ASN 44 8.802 6.959 -6.984 333 H GLU 45 H GLU 45 2.936 4.376 -7.220 334 HA GLU 45 HA GLU 45 1.076 6.364 -7.784 335 HB2 GLU 45 1HB GLU 45 0.997 3.886 -6.025 336 HB3 GLU 45 2HB GLU 45 -0.402 4.924 -6.214 337 HG2 GLU 45 1HG GLU 45 1.063 3.385 -8.400 338 HG3 GLU 45 2HG GLU 45 -0.585 3.143 -7.854 339 H ILE 46 H ILE 46 2.289 5.166 -4.563 340 HA ILE 46 HA ILE 46 1.350 7.655 -3.382 341 HB ILE 46 HB ILE 46 2.424 5.125 -2.129 342 HG12 ILE 46 1HG1 ILE 46 -0.434 6.118 -2.337 343 HG13 ILE 46 2HG1 ILE 46 0.262 4.864 -3.344 344 HG21 ILE 46 1HG2 ILE 46 0.885 7.227 -0.645 345 HG22 ILE 46 2HG2 ILE 46 2.027 6.004 -0.039 346 HG23 ILE 46 3HG2 ILE 46 2.633 7.433 -0.910 347 HD11 ILE 46 1HD1 ILE 46 -0.009 4.789 -0.304 348 HD12 ILE 46 2HD1 ILE 46 -0.935 3.824 -1.478 349 HD13 ILE 46 3HD1 ILE 46 0.810 3.540 -1.272 350 H ALA 47 H ALA 47 2.696 9.227 -2.530 351 HA ALA 47 HA ALA 47 5.572 8.680 -2.700 352 HB1 ALA 47 1HB ALA 47 4.021 10.440 -4.374 353 HB2 ALA 47 2HB ALA 47 5.104 11.416 -3.353 354 HB3 ALA 47 3HB ALA 47 5.775 10.138 -4.395 355 H ILE 48 H ILE 48 6.638 9.219 -0.850 356 HA ILE 48 HA ILE 48 5.208 11.010 0.990 357 HB ILE 48 HB ILE 48 6.750 8.481 1.534 358 HG12 ILE 48 1HG1 ILE 48 4.155 8.976 2.833 359 HG13 ILE 48 2HG1 ILE 48 4.066 8.902 1.084 360 HG21 ILE 48 1HG2 ILE 48 5.854 10.555 3.555 361 HG22 ILE 48 2HG2 ILE 48 6.563 8.964 3.918 362 HG23 ILE 48 3HG2 ILE 48 7.536 10.203 3.090 363 HD11 ILE 48 1HD1 ILE 48 5.527 6.748 1.284 364 HD12 ILE 48 2HD1 ILE 48 5.080 6.782 3.006 365 HD13 ILE 48 3HD1 ILE 48 3.815 6.641 1.761 366 H LYS 49 H LYS 49 6.322 12.769 1.728 367 HA LYS 49 HA LYS 49 9.070 13.001 0.755 368 HB2 LYS 49 1HB LYS 49 6.950 15.027 1.487 369 HB3 LYS 49 2HB LYS 49 8.635 15.474 1.303 370 HG2 LYS 49 1HG LYS 49 7.773 13.795 -0.937 371 HG3 LYS 49 2HG LYS 49 6.707 15.175 -0.761 372 HD2 LYS 49 1HD LYS 49 8.307 16.647 -1.460 373 HD3 LYS 49 2HD LYS 49 9.539 15.930 -0.442 374 HE2 LYS 49 1HE LYS 49 10.170 14.343 -2.080 375 HE3 LYS 49 2HE LYS 49 8.626 14.425 -2.905 376 HZ1 LYS 49 1HZ LYS 49 10.805 15.719 -3.682 377 HZ2 LYS 49 2HZ LYS 49 9.289 16.180 -4.077 378 HZ3 LYS 49 3HZ LYS 49 10.063 16.900 -2.832 379 H ASP 50 H ASP 50 9.488 11.357 2.611 380 HA ASP 50 HA ASP 50 9.702 12.839 5.107 381 HB2 ASP 50 1HB ASP 50 8.480 10.799 5.446 382 HB3 ASP 50 2HB ASP 50 9.577 9.877 4.437 383 H ALA 51 H ALA 51 11.410 11.873 2.342 384 HA ALA 51 HA ALA 51 13.584 12.131 1.862 385 HB1 ALA 51 1HB ALA 51 14.957 13.211 3.314 386 HB2 ALA 51 2HB ALA 51 13.491 13.369 4.312 387 HB3 ALA 51 3HB ALA 51 14.644 12.049 4.626 388 H GLY 52 H GLY 52 13.009 10.098 4.816 389 HA2 GLY 52 1HA GLY 52 14.959 8.196 4.410 390 HA3 GLY 52 2HA GLY 52 13.421 7.922 5.204 391 H ILE 53 H ILE 53 11.924 8.740 2.647 392 HA ILE 53 HA ILE 53 12.111 6.112 1.415 393 HB ILE 53 HB ILE 53 10.055 8.302 1.101 394 HG12 ILE 53 1HG1 ILE 53 9.418 5.795 2.557 395 HG13 ILE 53 2HG1 ILE 53 10.492 6.906 3.384 396 HG21 ILE 53 1HG2 ILE 53 9.828 5.389 0.318 397 HG22 ILE 53 2HG2 ILE 53 8.700 6.719 -0.039 398 HG23 ILE 53 3HG2 ILE 53 10.303 6.680 -0.812 399 HD11 ILE 53 1HD1 ILE 53 7.612 7.175 2.784 400 HD12 ILE 53 2HD1 ILE 53 8.591 7.981 4.032 401 HD13 ILE 53 3HD1 ILE 53 8.555 8.627 2.374 402 H SER 54 H SER 54 12.525 5.778 -0.799 403 HA SER 54 HA SER 54 13.702 8.123 -2.070 404 HB2 SER 54 1HB SER 54 14.545 5.300 -1.828 405 HB3 SER 54 2HB SER 54 14.622 5.892 -3.475 406 HG SER 54 HG SER 54 15.659 7.620 -1.475 407 H THR 55 H THR 55 13.516 8.152 -4.531 408 HA THR 55 HA THR 55 10.969 8.197 -5.408 409 HB THR 55 HB THR 55 12.001 8.089 -7.686 410 HG1 THR 55 HG1 THR 55 14.377 7.385 -6.124 411 HG21 THR 55 1HG2 THR 55 12.826 10.172 -7.229 412 HG22 THR 55 2HG2 THR 55 13.008 9.760 -5.506 413 HG23 THR 55 3HG2 THR 55 14.318 9.390 -6.653 414 H LYS 56 H LYS 56 13.186 5.388 -6.032 415 HA LYS 56 HA LYS 56 10.747 3.778 -6.309 416 HB2 LYS 56 1HB LYS 56 13.478 3.554 -7.583 417 HB3 LYS 56 2HB LYS 56 12.358 2.207 -7.551 418 HG2 LYS 56 1HG LYS 56 11.535 3.110 -9.483 419 HG3 LYS 56 2HG LYS 56 10.691 4.221 -8.423 420 HD2 LYS 56 1HD LYS 56 13.040 5.549 -8.556 421 HD3 LYS 56 2HD LYS 56 13.171 4.678 -10.071 422 HE2 LYS 56 1HE LYS 56 10.546 6.036 -9.497 423 HE3 LYS 56 2HE LYS 56 11.910 7.068 -9.878 424 HZ1 LYS 56 1HZ LYS 56 11.227 4.762 -11.548 425 HZ2 LYS 56 2HZ LYS 56 10.546 6.227 -11.786 426 HZ3 LYS 56 3HZ LYS 56 12.163 6.044 -11.933 427 H HIS 57 H HIS 57 10.742 3.847 -3.862 428 HA HIS 57 HA HIS 57 12.863 2.480 -2.545 429 HB2 HIS 57 1HB HIS 57 11.513 4.274 -1.500 430 HB3 HIS 57 2HB HIS 57 10.098 3.242 -1.563 431 HD2 HIS 57 HD2 HIS 57 11.099 0.505 -0.232 432 HE1 HIS 57 HE1 HIS 57 12.710 2.894 2.900 433 HE2 HIS 57 HE2 HIS 57 11.925 0.536 2.179 434 H LEU 58 H LEU 58 9.325 1.698 -2.909 435 HA LEU 58 HA LEU 58 10.008 -1.006 -3.610 436 HB2 LEU 58 1HB LEU 58 8.709 -1.998 -1.761 437 HB3 LEU 58 2HB LEU 58 10.219 -1.258 -1.269 438 HG LEU 58 HG LEU 58 9.113 0.595 -0.264 439 HD11 LEU 58 1HD1 LEU 58 6.577 0.758 -0.325 440 HD12 LEU 58 2HD1 LEU 58 7.444 1.190 -1.819 441 HD13 LEU 58 3HD1 LEU 58 6.636 -0.390 -1.685 442 HD21 LEU 58 1HD2 LEU 58 8.862 -0.763 1.479 443 HD22 LEU 58 2HD2 LEU 58 7.166 -0.958 0.977 444 HD23 LEU 58 3HD2 LEU 58 8.392 -2.132 0.442 445 H ARG 59 H ARG 59 7.835 -2.293 -3.905 446 HA ARG 59 HA ARG 59 5.756 -0.422 -4.664 447 HB2 ARG 59 1HB ARG 59 5.501 -1.381 -6.858 448 HB3 ARG 59 2HB ARG 59 7.220 -1.100 -6.671 449 HG2 ARG 59 1HG ARG 59 7.330 -3.563 -5.788 450 HG3 ARG 59 2HG ARG 59 5.723 -3.740 -6.465 451 HD2 ARG 59 1HD ARG 59 6.510 -3.809 -8.613 452 HD3 ARG 59 2HD ARG 59 7.582 -2.446 -8.359 453 HE ARG 59 HE ARG 59 8.528 -4.845 -6.999 454 HH11 ARG 59 1HH1 ARG 59 8.443 -3.183 -10.100 455 HH12 ARG 59 2HH1 ARG 59 9.871 -3.959 -10.699 456 HH21 ARG 59 1HH2 ARG 59 10.412 -5.868 -7.789 457 HH22 ARG 59 2HH2 ARG 59 10.999 -5.497 -9.376 458 H ILE 60 H ILE 60 3.602 -1.312 -4.532 459 HA ILE 60 HA ILE 60 3.528 -3.920 -3.189 460 HB ILE 60 HB ILE 60 2.024 -1.376 -2.853 461 HG12 ILE 60 1HG1 ILE 60 2.833 -3.489 -0.840 462 HG13 ILE 60 2HG1 ILE 60 3.897 -2.195 -1.353 463 HG21 ILE 60 1HG2 ILE 60 0.212 -2.832 -3.452 464 HG22 ILE 60 2HG2 ILE 60 0.820 -4.114 -2.377 465 HG23 ILE 60 3HG2 ILE 60 0.192 -2.597 -1.688 466 HD11 ILE 60 1HD1 ILE 60 1.761 -2.104 0.592 467 HD12 ILE 60 2HD1 ILE 60 2.921 -0.826 0.158 468 HD13 ILE 60 3HD1 ILE 60 1.386 -0.972 -0.730 469 H GLU 61 H GLU 61 2.141 -5.539 -3.937 470 HA GLU 61 HA GLU 61 0.434 -4.880 -6.155 471 HB2 GLU 61 1HB GLU 61 1.390 -6.764 -7.547 472 HB3 GLU 61 2HB GLU 61 2.454 -5.382 -7.372 473 HG2 GLU 61 1HG GLU 61 4.053 -6.675 -6.419 474 HG3 GLU 61 2HG GLU 61 2.944 -7.178 -5.158 475 H SER 62 H SER 62 -0.851 -6.969 -6.835 476 HA SER 62 HA SER 62 -1.215 -8.581 -4.431 477 HB2 SER 62 1HB SER 62 -3.217 -7.460 -4.341 478 HB3 SER 62 2HB SER 62 -3.169 -7.014 -6.035 479 HG SER 62 HG SER 62 -3.867 -9.618 -4.971 480 H ASP 63 H ASP 63 -1.679 -10.831 -4.775 481 HA ASP 63 HA ASP 63 -1.766 -11.679 -7.537 482 HB2 ASP 63 1HB ASP 63 0.631 -11.760 -6.869 483 HB3 ASP 63 2HB ASP 63 0.220 -12.720 -5.462 484 H SER 64 H SER 64 -2.587 -13.971 -7.701 485 HA SER 64 HA SER 64 -4.222 -15.347 -7.187 486 HB2 SER 64 1HB SER 64 -2.009 -15.731 -5.248 487 HB3 SER 64 2HB SER 64 -3.519 -16.467 -4.748 488 HG SER 64 HG SER 64 -3.595 -17.640 -6.740 489 H GLY 65 H GLY 65 -5.501 -13.138 -6.776 490 HA2 GLY 65 1HA GLY 65 -6.925 -11.911 -5.517 491 HA3 GLY 65 2HA GLY 65 -7.457 -13.483 -4.956 492 H ASN 66 H ASN 66 -4.285 -11.826 -4.396 493 HA ASN 66 HA ASN 66 -5.052 -11.379 -1.660 494 HB2 ASN 66 1HB ASN 66 -2.869 -13.299 -2.555 495 HB3 ASN 66 2HB ASN 66 -2.691 -12.440 -1.037 496 HD21 ASN 66 1HD2 ASN 66 -3.069 -15.292 -1.637 497 HD22 ASN 66 2HD2 ASN 66 -4.455 -15.819 -0.742 498 H TRP 67 H TRP 67 -3.068 -10.188 -0.514 499 HA TRP 67 HA TRP 67 -1.828 -8.452 -2.533 500 HB2 TRP 67 1HB TRP 67 -2.632 -7.918 0.329 501 HB3 TRP 67 2HB TRP 67 -1.642 -6.830 -0.623 502 HD1 TRP 67 HD1 TRP 67 -5.271 -7.906 -0.178 503 HE1 TRP 67 HE1 TRP 67 -6.918 -6.431 -1.617 504 HE3 TRP 67 HE3 TRP 67 -1.653 -5.552 -2.865 505 HZ2 TRP 67 HZ2 TRP 67 -6.532 -4.488 -3.672 506 HZ3 TRP 67 HZ3 TRP 67 -2.373 -3.880 -4.568 507 HH2 TRP 67 HH2 TRP 67 -4.718 -3.335 -4.990 508 H VAL 68 H VAL 68 0.437 -7.974 -2.298 509 HA VAL 68 HA VAL 68 1.850 -9.451 -0.225 510 HB VAL 68 HB VAL 68 3.249 -10.609 -1.699 511 HG11 VAL 68 1HG1 VAL 68 1.710 -11.964 -3.089 512 HG12 VAL 68 2HG1 VAL 68 1.079 -11.684 -1.448 513 HG13 VAL 68 3HG1 VAL 68 0.431 -10.755 -2.822 514 HG21 VAL 68 1HG2 VAL 68 2.624 -8.476 -3.527 515 HG22 VAL 68 2HG2 VAL 68 3.934 -9.678 -3.605 516 HG23 VAL 68 3HG2 VAL 68 2.348 -10.043 -4.326 517 H ILE 69 H ILE 69 3.923 -8.549 0.273 518 HA ILE 69 HA ILE 69 4.266 -5.873 -0.887 519 HB ILE 69 HB ILE 69 3.655 -5.873 1.465 520 HG12 ILE 69 1HG1 ILE 69 6.485 -5.082 1.704 521 HG13 ILE 69 2HG1 ILE 69 5.685 -4.456 0.276 522 HG21 ILE 69 1HG2 ILE 69 4.374 -7.950 2.299 523 HG22 ILE 69 2HG2 ILE 69 6.050 -7.686 1.762 524 HG23 ILE 69 3HG2 ILE 69 5.392 -6.742 3.120 525 HD11 ILE 69 1HD1 ILE 69 4.449 -2.992 1.495 526 HD12 ILE 69 2HD1 ILE 69 3.958 -4.257 2.646 527 HD13 ILE 69 3HD1 ILE 69 5.504 -3.403 2.868 528 H GLN 70 H GLN 70 6.311 -5.230 -1.628 529 HA GLN 70 HA GLN 70 8.411 -7.206 -1.411 530 HB2 GLN 70 1HB GLN 70 7.301 -7.770 -3.526 531 HB3 GLN 70 2HB GLN 70 7.375 -6.101 -4.057 532 HG2 GLN 70 1HG GLN 70 9.708 -6.166 -4.409 533 HG3 GLN 70 2HG GLN 70 9.948 -7.488 -3.285 534 HE21 GLN 70 1HE2 GLN 70 11.034 -8.799 -4.665 535 HE22 GLN 70 2HE2 GLN 70 10.331 -9.578 -6.043 536 H ASP 71 H ASP 71 10.267 -6.186 -0.789 537 HA ASP 71 HA ASP 71 10.302 -3.322 -0.996 538 HB2 ASP 71 1HB ASP 71 12.737 -4.503 0.095 539 HB3 ASP 71 2HB ASP 71 11.583 -3.442 0.878 540 H LEU 72 H LEU 72 11.238 -2.407 -2.830 541 HA LEU 72 HA LEU 72 12.883 -3.994 -4.541 542 HB2 LEU 72 1HB LEU 72 12.033 -1.098 -4.603 543 HB3 LEU 72 2HB LEU 72 13.005 -1.858 -5.847 544 HG LEU 72 HG LEU 72 11.253 -3.058 -6.705 545 HD11 LEU 72 1HD1 LEU 72 9.287 -3.816 -5.496 546 HD12 LEU 72 2HD1 LEU 72 10.769 -4.291 -4.631 547 HD13 LEU 72 3HD1 LEU 72 9.801 -2.915 -4.049 548 HD21 LEU 72 1HD2 LEU 72 10.553 -0.915 -7.214 549 HD22 LEU 72 2HD2 LEU 72 9.106 -1.607 -6.441 550 HD23 LEU 72 3HD2 LEU 72 10.172 -0.519 -5.521 551 H GLY 73 H GLY 73 14.248 -4.275 -2.313 552 HA2 GLY 73 1HA GLY 73 16.064 -3.641 -1.066 553 HA3 GLY 73 2HA GLY 73 16.782 -3.678 -2.664 554 H SER 74 H SER 74 14.478 -1.367 -1.054 555 HA SER 74 HA SER 74 15.244 0.875 -2.234 556 HB2 SER 74 1HB SER 74 13.535 1.283 -0.752 557 HB3 SER 74 2HB SER 74 14.188 0.209 0.468 558 HG SER 74 HG SER 74 14.757 2.964 -0.016 559 H SER 75 H SER 75 16.382 0.625 1.167 560 HA SER 75 HA SER 75 19.084 0.442 0.577 561 HB2 SER 75 1HB SER 75 17.918 3.177 0.503 562 HB3 SER 75 2HB SER 75 19.331 3.024 1.528 563 HG SER 75 HG SER 75 20.235 3.424 -0.436 564 H ASN 76 H ASN 76 16.832 2.306 2.752 565 HA ASN 76 HA ASN 76 18.349 1.775 5.033 566 HB2 ASN 76 1HB ASN 76 15.383 2.502 4.767 567 HB3 ASN 76 2HB ASN 76 16.303 2.603 6.255 568 HD21 ASN 76 1HD2 ASN 76 15.666 4.832 6.239 569 HD22 ASN 76 2HD2 ASN 76 16.564 6.006 5.335 570 H GLY 77 H GLY 77 15.267 0.415 3.658 571 HA2 GLY 77 1HA GLY 77 15.053 -2.014 3.722 572 HA3 GLY 77 2HA GLY 77 15.650 -1.970 5.369 573 H THR 78 H THR 78 12.928 -2.640 3.836 574 HA THR 78 HA THR 78 11.148 -0.922 5.390 575 HB THR 78 HB THR 78 10.410 -3.099 3.383 576 HG1 THR 78 HG1 THR 78 11.105 -1.651 1.825 577 HG21 THR 78 1HG2 THR 78 8.757 -1.533 4.869 578 HG22 THR 78 2HG2 THR 78 9.126 -0.381 3.563 579 HG23 THR 78 3HG2 THR 78 8.386 -1.955 3.180 580 H LEU 79 H LEU 79 9.946 -1.563 7.112 581 HA LEU 79 HA LEU 79 10.411 -4.334 7.968 582 HB2 LEU 79 1HB LEU 79 9.974 -1.824 9.589 583 HB3 LEU 79 2HB LEU 79 9.995 -3.442 10.262 584 HG LEU 79 HG LEU 79 12.351 -2.480 8.664 585 HD11 LEU 79 1HD1 LEU 79 13.319 -1.746 10.931 586 HD12 LEU 79 2HD1 LEU 79 12.192 -0.647 10.101 587 HD13 LEU 79 3HD1 LEU 79 11.625 -1.639 11.465 588 HD21 LEU 79 1HD2 LEU 79 13.335 -4.333 9.407 589 HD22 LEU 79 2HD2 LEU 79 12.843 -4.016 11.088 590 HD23 LEU 79 3HD2 LEU 79 11.730 -4.849 9.977 591 H LEU 80 H LEU 80 8.629 -5.517 8.859 592 HA LEU 80 HA LEU 80 6.023 -4.290 8.298 593 HB2 LEU 80 1HB LEU 80 6.672 -5.822 6.491 594 HB3 LEU 80 2HB LEU 80 6.874 -7.117 7.655 595 HG LEU 80 HG LEU 80 4.455 -6.952 8.223 596 HD11 LEU 80 1HD1 LEU 80 3.146 -5.718 6.257 597 HD12 LEU 80 2HD1 LEU 80 3.625 -4.888 7.757 598 HD13 LEU 80 3HD1 LEU 80 4.604 -4.697 6.283 599 HD21 LEU 80 1HD2 LEU 80 5.186 -8.640 6.665 600 HD22 LEU 80 2HD2 LEU 80 3.630 -7.972 6.117 601 HD23 LEU 80 3HD2 LEU 80 5.142 -7.477 5.319 602 H ASN 81 H ASN 81 5.006 -4.008 10.205 603 HA ASN 81 HA ASN 81 4.225 -4.383 12.192 604 HB2 ASN 81 1HB ASN 81 4.816 -7.266 11.400 605 HB3 ASN 81 2HB ASN 81 4.185 -6.901 12.993 606 HD21 ASN 81 1HD2 ASN 81 3.259 -8.034 10.198 607 HD22 ASN 81 2HD2 ASN 81 1.659 -7.396 10.018 608 H SER 82 H SER 82 6.556 -7.159 12.276 609 HA SER 82 HA SER 82 8.405 -5.580 13.812 610 HB2 SER 82 1HB SER 82 6.865 -7.943 14.933 611 HB3 SER 82 2HB SER 82 8.454 -7.539 15.553 612 HG SER 82 HG SER 82 7.665 -5.409 16.088 613 H ASN 83 H ASN 83 9.255 -6.163 11.480 614 HA ASN 83 HA ASN 83 11.265 -8.016 11.792 615 HB2 ASN 83 1HB ASN 83 8.905 -9.364 11.235 616 HB3 ASN 83 2HB ASN 83 9.525 -9.105 9.616 617 HD21 ASN 83 1HD2 ASN 83 11.089 -10.350 8.854 618 HD22 ASN 83 2HD2 ASN 83 11.996 -11.523 9.748 619 H ALA 84 H ALA 84 12.731 -7.886 9.923 620 HA ALA 84 HA ALA 84 12.116 -5.640 8.199 621 HB1 ALA 84 1HB ALA 84 14.677 -7.165 7.987 622 HB2 ALA 84 2HB ALA 84 14.390 -5.408 8.014 623 HB3 ALA 84 3HB ALA 84 14.356 -6.339 9.531 624 H LEU 85 H LEU 85 11.671 -5.772 6.021 625 HA LEU 85 HA LEU 85 10.930 -8.325 5.019 626 HB2 LEU 85 1HB LEU 85 11.105 -5.622 3.681 627 HB3 LEU 85 2HB LEU 85 10.380 -7.053 2.976 628 HG LEU 85 HG LEU 85 9.413 -5.819 5.565 629 HD11 LEU 85 1HD1 LEU 85 9.235 -4.668 3.009 630 HD12 LEU 85 2HD1 LEU 85 7.637 -5.381 3.334 631 HD13 LEU 85 3HD1 LEU 85 8.339 -4.212 4.478 632 HD21 LEU 85 1HD2 LEU 85 7.774 -7.528 3.721 633 HD22 LEU 85 2HD2 LEU 85 8.921 -8.283 4.854 634 HD23 LEU 85 3HD2 LEU 85 7.608 -7.252 5.472 635 H ASP 86 H ASP 86 11.708 -8.512 2.425 636 HA ASP 86 HA ASP 86 14.588 -8.253 2.433 637 HB2 ASP 86 1HB ASP 86 13.249 -10.712 2.936 638 HB3 ASP 86 2HB ASP 86 13.765 -10.810 1.264 639 HA PRO 87 HA PRO 87 13.542 -7.295 -1.727 640 HB2 PRO 87 1HB PRO 87 16.040 -7.177 -2.829 641 HB3 PRO 87 2HB PRO 87 15.327 -5.855 -1.925 642 HG2 PRO 87 1HG PRO 87 17.435 -7.751 -1.086 643 HG3 PRO 87 2HG PRO 87 17.016 -6.198 -0.392 644 HD2 PRO 87 1HD PRO 87 16.353 -8.783 0.660 645 HD3 PRO 87 2HD PRO 87 15.837 -7.231 1.290 646 H GLU 88 H GLU 88 15.336 -10.108 -0.917 647 HA GLU 88 HA GLU 88 14.728 -11.177 -3.547 648 HB2 GLU 88 1HB GLU 88 16.551 -12.208 -1.331 649 HB3 GLU 88 2HB GLU 88 16.282 -13.043 -2.848 650 HG2 GLU 88 1HG GLU 88 17.004 -10.798 -3.987 651 HG3 GLU 88 2HG GLU 88 17.618 -10.347 -2.408 652 H THR 89 H THR 89 12.652 -10.693 -1.482 653 HA THR 89 HA THR 89 11.481 -13.316 -1.536 654 HB THR 89 HB THR 89 12.168 -11.981 1.136 655 HG1 THR 89 HG1 THR 89 13.506 -13.984 1.213 656 HG21 THR 89 1HG2 THR 89 11.268 -14.016 2.148 657 HG22 THR 89 2HG2 THR 89 10.007 -13.358 1.078 658 HG23 THR 89 3HG2 THR 89 10.990 -14.744 0.548 659 H SER 90 H SER 90 9.207 -13.295 -1.071 660 HA SER 90 HA SER 90 8.161 -10.574 -0.998 661 HB2 SER 90 1HB SER 90 6.339 -11.327 -2.528 662 HB3 SER 90 2HB SER 90 7.921 -11.423 -3.275 663 HG SER 90 HG SER 90 6.432 -13.339 -3.525 664 H VAL 91 H VAL 91 6.640 -10.224 0.603 665 HA VAL 91 HA VAL 91 5.644 -12.626 1.968 666 HB VAL 91 HB VAL 91 5.968 -9.808 3.018 667 HG11 VAL 91 1HG1 VAL 91 5.624 -10.862 5.229 668 HG12 VAL 91 2HG1 VAL 91 4.209 -11.049 4.165 669 HG13 VAL 91 3HG1 VAL 91 5.314 -12.420 4.425 670 HG21 VAL 91 1HG2 VAL 91 7.947 -10.525 4.152 671 HG22 VAL 91 2HG2 VAL 91 7.701 -12.215 3.650 672 HG23 VAL 91 3HG2 VAL 91 8.129 -10.980 2.441 673 H ASN 92 H ASN 92 3.402 -12.500 2.821 674 HA ASN 92 HA ASN 92 1.773 -11.140 0.866 675 HB2 ASN 92 1HB ASN 92 -0.058 -12.590 1.747 676 HB3 ASN 92 2HB ASN 92 1.338 -13.552 1.303 677 HD21 ASN 92 1HD2 ASN 92 2.749 -14.332 2.919 678 HD22 ASN 92 2HD2 ASN 92 2.225 -14.569 4.553 679 H LEU 93 H LEU 93 0.718 -9.226 1.432 680 HA LEU 93 HA LEU 93 1.075 -8.048 3.926 681 HB2 LEU 93 1HB LEU 93 -0.689 -7.515 1.562 682 HB3 LEU 93 2HB LEU 93 -0.893 -6.587 3.034 683 HG LEU 93 HG LEU 93 1.693 -6.795 1.466 684 HD11 LEU 93 1HD1 LEU 93 -0.605 -4.892 1.323 685 HD12 LEU 93 2HD1 LEU 93 1.044 -4.253 1.124 686 HD13 LEU 93 3HD1 LEU 93 0.445 -5.526 0.034 687 HD21 LEU 93 1HD2 LEU 93 2.616 -6.096 3.373 688 HD22 LEU 93 2HD2 LEU 93 1.821 -4.537 3.047 689 HD23 LEU 93 3HD2 LEU 93 1.037 -5.731 4.110 690 H GLY 94 H GLY 94 -0.606 -7.454 5.540 691 HA2 GLY 94 1HA GLY 94 -2.852 -9.344 5.666 692 HA3 GLY 94 2HA GLY 94 -1.687 -9.326 6.975 693 H ASP 95 H ASP 95 -4.513 -8.663 7.210 694 HA ASP 95 HA ASP 95 -4.836 -5.886 7.181 695 HB2 ASP 95 1HB ASP 95 -6.868 -7.040 7.168 696 HB3 ASP 95 2HB ASP 95 -6.307 -8.259 8.294 697 H GLY 96 H GLY 96 -4.078 -4.397 8.700 698 HA2 GLY 96 1HA GLY 96 -3.664 -3.580 10.811 699 HA3 GLY 96 2HA GLY 96 -3.787 -5.194 11.484 700 H ASP 97 H ASP 97 -1.829 -4.713 8.577 701 HA ASP 97 HA ASP 97 0.484 -5.388 10.160 702 HB2 ASP 97 1HB ASP 97 -0.102 -5.304 7.173 703 HB3 ASP 97 2HB ASP 97 1.529 -5.529 7.772 704 H VAL 98 H VAL 98 1.968 -3.783 10.723 705 HA VAL 98 HA VAL 98 1.630 -1.165 9.511 706 HB VAL 98 HB VAL 98 3.004 -2.259 11.948 707 HG11 VAL 98 1HG1 VAL 98 4.641 -0.742 11.724 708 HG12 VAL 98 2HG1 VAL 98 3.807 0.087 10.388 709 HG13 VAL 98 3HG1 VAL 98 3.396 0.482 12.074 710 HG21 VAL 98 1HG2 VAL 98 1.603 -0.463 13.037 711 HG22 VAL 98 2HG2 VAL 98 0.840 -0.194 11.452 712 HG23 VAL 98 3HG2 VAL 98 0.683 -1.773 12.259 713 H ILE 99 H ILE 99 3.022 -0.281 8.044 714 HA ILE 99 HA ILE 99 5.394 -1.895 7.422 715 HB ILE 99 HB ILE 99 3.897 0.008 5.620 716 HG12 ILE 99 1HG1 ILE 99 3.758 -3.018 5.604 717 HG13 ILE 99 2HG1 ILE 99 2.554 -1.998 6.367 718 HG21 ILE 99 1HG2 ILE 99 5.325 -0.570 3.931 719 HG22 ILE 99 2HG2 ILE 99 6.436 -0.661 5.318 720 HG23 ILE 99 3HG2 ILE 99 5.724 -2.149 4.649 721 HD11 ILE 99 1HD1 ILE 99 1.543 -1.705 4.366 722 HD12 ILE 99 2HD1 ILE 99 3.018 -0.930 3.740 723 HD13 ILE 99 3HD1 ILE 99 2.801 -2.690 3.582 724 H LYS 100 H LYS 100 7.174 -1.061 8.375 725 HA LYS 100 HA LYS 100 7.288 1.839 8.702 726 HB2 LYS 100 1HB LYS 100 8.500 -0.506 10.099 727 HB3 LYS 100 2HB LYS 100 9.431 0.978 10.056 728 HG2 LYS 100 1HG LYS 100 7.891 2.157 11.347 729 HG3 LYS 100 2HG LYS 100 6.520 1.242 10.752 730 HD2 LYS 100 1HD LYS 100 6.587 0.074 12.698 731 HD3 LYS 100 2HD LYS 100 8.040 -0.697 12.094 732 HE2 LYS 100 1HE LYS 100 9.453 1.032 13.145 733 HE3 LYS 100 2HE LYS 100 8.038 1.940 13.638 734 HZ1 LYS 100 1HZ LYS 100 8.991 -0.617 14.657 735 HZ2 LYS 100 2HZ LYS 100 8.554 0.721 15.485 736 HZ3 LYS 100 3HZ LYS 100 7.412 -0.229 14.807 737 H LEU 101 H LEU 101 8.058 2.852 6.914 738 HA LEU 101 HA LEU 101 10.507 1.715 5.760 739 HB2 LEU 101 1HB LEU 101 9.803 2.205 3.583 740 HB3 LEU 101 2HB LEU 101 8.479 1.349 4.349 741 HG LEU 101 HG LEU 101 8.434 4.345 4.357 742 HD11 LEU 101 1HD1 LEU 101 9.049 3.771 2.053 743 HD12 LEU 101 2HD1 LEU 101 7.657 2.665 1.956 744 HD13 LEU 101 3HD1 LEU 101 7.392 4.413 2.155 745 HD21 LEU 101 1HD2 LEU 101 5.930 3.259 3.718 746 HD22 LEU 101 2HD2 LEU 101 6.622 2.170 4.945 747 HD23 LEU 101 3HD2 LEU 101 6.466 3.910 5.286 748 H GLY 102 H GLY 102 11.695 3.522 4.429 749 HA2 GLY 102 1HA GLY 102 12.742 5.512 4.421 750 HA3 GLY 102 2HA GLY 102 11.288 6.228 5.088 751 H GLU 103 H GLU 103 11.341 6.998 7.169 752 HA GLU 103 HA GLU 103 13.560 6.033 8.802 753 HB2 GLU 103 1HB GLU 103 12.360 8.837 8.724 754 HB3 GLU 103 2HB GLU 103 13.612 8.316 9.833 755 HG2 GLU 103 1HG GLU 103 14.741 7.537 7.459 756 HG3 GLU 103 2HG GLU 103 13.791 8.901 6.903 757 H TYR 104 H TYR 104 10.513 7.985 9.224 758 HA TYR 104 HA TYR 104 9.865 6.200 11.472 759 HB2 TYR 104 1HB TYR 104 9.464 9.165 10.799 760 HB3 TYR 104 2HB TYR 104 8.443 8.405 12.003 761 HD1 TYR 104 HD1 TYR 104 12.091 8.760 11.179 762 HD2 TYR 104 HD2 TYR 104 9.098 8.527 14.227 763 HE1 TYR 104 HE1 TYR 104 13.858 9.186 12.956 764 HE2 TYR 104 HE2 TYR 104 10.876 8.954 15.994 765 HH TYR 104 HH TYR 104 13.607 10.287 15.515 766 H THR 105 H THR 105 8.809 7.703 8.437 767 HA THR 105 HA THR 105 6.132 7.578 8.481 768 HB THR 105 HB THR 105 8.193 6.790 6.382 769 HG1 THR 105 HG1 THR 105 7.684 9.039 7.278 770 HG21 THR 105 1HG2 THR 105 5.298 6.287 6.308 771 HG22 THR 105 2HG2 THR 105 5.770 7.505 5.100 772 HG23 THR 105 3HG2 THR 105 6.531 5.896 5.086 773 H SER 106 H SER 106 4.499 6.158 8.721 774 HA SER 106 HA SER 106 5.219 3.348 8.545 775 HB2 SER 106 1HB SER 106 3.571 4.599 10.788 776 HB3 SER 106 2HB SER 106 3.849 2.881 10.578 777 HG SER 106 HG SER 106 5.300 4.093 12.127 778 H ILE 107 H ILE 107 3.651 2.084 7.511 779 HA ILE 107 HA ILE 107 1.132 3.466 6.892 780 HB ILE 107 HB ILE 107 2.657 1.563 5.111 781 HG12 ILE 107 1HG1 ILE 107 2.434 4.584 4.952 782 HG13 ILE 107 2HG1 ILE 107 3.870 3.686 5.405 783 HG21 ILE 107 1HG2 ILE 107 -0.053 2.620 5.073 784 HG22 ILE 107 2HG2 ILE 107 0.851 3.043 3.599 785 HG23 ILE 107 3HG2 ILE 107 0.694 1.338 4.088 786 HD11 ILE 107 1HD1 ILE 107 3.545 2.443 3.110 787 HD12 ILE 107 2HD1 ILE 107 2.503 3.828 2.705 788 HD13 ILE 107 3HD1 ILE 107 4.217 4.091 3.108 789 H LEU 108 H LEU 108 -0.749 2.362 7.301 790 HA LEU 108 HA LEU 108 -0.382 -0.289 8.489 791 HB2 LEU 108 1HB LEU 108 -1.486 1.845 9.617 792 HB3 LEU 108 2HB LEU 108 -2.903 1.278 8.756 793 HG LEU 108 HG LEU 108 -1.331 -0.592 10.520 794 HD11 LEU 108 1HD1 LEU 108 -2.862 1.740 11.374 795 HD12 LEU 108 2HD1 LEU 108 -3.488 0.219 12.056 796 HD13 LEU 108 3HD1 LEU 108 -1.783 0.669 12.300 797 HD21 LEU 108 1HD2 LEU 108 -2.893 -1.732 9.164 798 HD22 LEU 108 2HD2 LEU 108 -3.647 -1.600 10.771 799 HD23 LEU 108 3HD2 LEU 108 -4.158 -0.515 9.456 800 H VAL 109 H VAL 109 -1.460 -2.090 7.698 801 HA VAL 109 HA VAL 109 -2.752 -1.655 5.106 802 HB VAL 109 HB VAL 109 -1.433 -4.060 6.373 803 HG11 VAL 109 1HG1 VAL 109 -2.198 -4.210 3.524 804 HG12 VAL 109 2HG1 VAL 109 -2.280 -5.444 4.805 805 HG13 VAL 109 3HG1 VAL 109 -3.564 -4.219 4.666 806 HG21 VAL 109 1HG2 VAL 109 -0.674 -2.172 4.138 807 HG22 VAL 109 2HG2 VAL 109 0.252 -2.612 5.593 808 HG23 VAL 109 3HG2 VAL 109 0.037 -3.797 4.282 809 H ASN 110 H ASN 110 -4.933 -1.717 5.035 810 HA ASN 110 HA ASN 110 -6.225 -3.396 7.036 811 HB2 ASN 110 1HB ASN 110 -6.595 -0.515 6.430 812 HB3 ASN 110 2HB ASN 110 -8.103 -1.406 6.376 813 HD21 ASN 110 1HD2 ASN 110 -5.167 -1.877 8.325 814 HD22 ASN 110 2HD2 ASN 110 -5.906 -1.725 9.884 815 H PHE 111 H PHE 111 -7.688 -4.861 6.100 816 HA PHE 111 HA PHE 111 -8.061 -4.661 3.233 817 HB2 PHE 111 1HB PHE 111 -8.655 -6.719 5.435 818 HB3 PHE 111 2HB PHE 111 -9.137 -6.990 3.772 819 HD1 PHE 111 HD2 PHE 111 -6.714 -5.848 2.394 820 HD2 PHE 111 HD1 PHE 111 -7.076 -8.424 5.747 821 HE1 PHE 111 HE2 PHE 111 -4.452 -6.814 1.896 822 HE2 PHE 111 HE1 PHE 111 -4.813 -9.390 5.249 823 HZ PHE 111 HZ PHE 111 -3.528 -8.573 3.329 824 H VAL 112 H VAL 112 -9.798 -3.572 2.447 825 HA VAL 112 HA VAL 112 -12.132 -3.307 4.164 826 HB VAL 112 HB VAL 112 -11.415 -2.021 1.521 827 HG11 VAL 112 1HG1 VAL 112 -13.805 -2.022 1.788 828 HG12 VAL 112 2HG1 VAL 112 -13.670 -1.487 3.481 829 HG13 VAL 112 3HG1 VAL 112 -13.210 -0.386 2.160 830 HG21 VAL 112 1HG2 VAL 112 -10.598 -0.168 2.679 831 HG22 VAL 112 2HG2 VAL 112 -11.405 -0.632 4.197 832 HG23 VAL 112 3HG2 VAL 112 -9.979 -1.537 3.634 833 H SER 113 H SER 113 -13.740 -4.775 4.019 834 HA SER 113 HA SER 113 -13.824 -6.432 1.676 835 HB2 SER 113 1HB SER 113 -14.058 -7.303 4.062 836 HB3 SER 113 2HB SER 113 -15.621 -6.515 4.137 837 HG SER 113 HG SER 113 -16.495 -8.090 2.972 838 H GLY 114 H GLY 114 -15.984 -6.862 0.578 839 HA2 GLY 114 1HA GLY 114 -17.144 -4.463 -0.317 840 HA3 GLY 114 2HA GLY 114 -17.723 -6.089 -0.619 841 HA PRO 115 HA PRO 115 -20.353 -3.847 2.535 842 HB2 PRO 115 1HB PRO 115 -22.181 -2.502 1.013 843 HB3 PRO 115 2HB PRO 115 -20.774 -1.734 1.722 844 HG2 PRO 115 1HG PRO 115 -21.246 -2.501 -1.094 845 HG3 PRO 115 2HG PRO 115 -20.068 -1.378 -0.445 846 HD2 PRO 115 1HD PRO 115 -19.569 -4.050 -1.358 847 HD3 PRO 115 2HD PRO 115 -18.416 -2.968 -0.603 848 H SER 116 H SER 116 -20.455 -6.332 2.415 849 HA SER 116 HA SER 116 -22.531 -7.404 0.921 850 HB2 SER 116 1HB SER 116 -22.244 -9.398 2.327 851 HB3 SER 116 2HB SER 116 -20.680 -8.738 1.895 852 HG SER 116 HG SER 116 -20.601 -7.696 4.003 853 H SER 117 H SER 117 -22.328 -6.565 4.459 854 HA SER 117 HA SER 117 -25.239 -6.599 4.472 855 HB2 SER 117 1HB SER 117 -24.136 -8.133 6.082 856 HB3 SER 117 2HB SER 117 -23.254 -6.790 6.781 857 HG SER 117 HG SER 117 -25.024 -6.102 7.837 858 H GLY 118 H GLY 118 -26.358 -4.689 4.838 859 HA2 GLY 118 1HA GLY 118 -24.846 -2.396 5.904 860 HA3 GLY 118 2HA GLY 118 -25.690 -2.253 4.375 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -32.720 -4.495 -3.895 2 HA2 GLY 1 1HA GLY 1 -31.557 -6.096 -2.801 3 HA3 GLY 1 2HA GLY 1 -30.476 -5.970 -4.175 4 H SER 2 H SER 2 -31.222 -4.170 -1.099 5 HA SER 2 HA SER 2 -28.592 -3.158 -0.973 6 HB2 SER 2 1HB SER 2 -30.845 -3.258 1.079 7 HB3 SER 2 2HB SER 2 -29.332 -2.414 1.345 8 HG SER 2 HG SER 2 -31.540 -1.674 -0.196 9 H SER 3 H SER 3 -26.880 -3.768 0.481 10 HA SER 3 HA SER 3 -25.572 -5.244 1.407 11 HB2 SER 3 1HB SER 3 -28.052 -6.000 3.016 12 HB3 SER 3 2HB SER 3 -26.393 -6.297 3.494 13 HG SER 3 HG SER 3 -26.827 -3.623 2.845 14 H GLY 4 H GLY 4 -25.232 -6.589 -0.475 15 HA2 GLY 4 1HA GLY 4 -25.308 -9.215 -0.332 16 HA3 GLY 4 2HA GLY 4 -26.972 -8.918 -0.793 17 H SER 5 H SER 5 -23.588 -8.829 -1.819 18 HA SER 5 HA SER 5 -24.465 -8.869 -4.528 19 HB2 SER 5 1HB SER 5 -23.852 -6.356 -3.469 20 HB3 SER 5 2HB SER 5 -22.351 -6.828 -4.240 21 HG SER 5 HG SER 5 -23.361 -6.973 -6.233 22 H SER 6 H SER 6 -21.488 -8.111 -2.561 23 HA SER 6 HA SER 6 -19.495 -8.975 -2.547 24 HB2 SER 6 1HB SER 6 -21.323 -11.283 -2.605 25 HB3 SER 6 2HB SER 6 -19.734 -11.690 -3.221 26 HG SER 6 HG SER 6 -19.889 -11.977 -0.901 27 H GLY 7 H GLY 7 -18.232 -8.150 -4.197 28 HA2 GLY 7 1HA GLY 7 -18.666 -9.133 -6.925 29 HA3 GLY 7 2HA GLY 7 -17.748 -7.722 -6.438 30 H MET 8 H MET 8 -15.602 -8.004 -5.446 31 HA MET 8 HA MET 8 -14.408 -10.473 -6.397 32 HB2 MET 8 1HB MET 8 -13.532 -7.626 -5.999 33 HB3 MET 8 2HB MET 8 -12.308 -8.831 -5.653 34 HG2 MET 8 1HG MET 8 -12.016 -8.360 -7.971 35 HG3 MET 8 2HG MET 8 -12.894 -9.877 -7.955 36 HE1 MET 8 1HE MET 8 -14.819 -10.296 -9.285 37 HE2 MET 8 2HE MET 8 -15.483 -9.100 -10.423 38 HE3 MET 8 3HE MET 8 -13.749 -9.501 -10.464 39 H VAL 9 H VAL 9 -13.376 -11.929 -5.028 40 HA VAL 9 HA VAL 9 -13.989 -11.749 -2.273 41 HB VAL 9 HB VAL 9 -12.797 -13.848 -2.115 42 HG11 VAL 9 1HG1 VAL 9 -13.964 -15.022 -4.167 43 HG12 VAL 9 2HG1 VAL 9 -14.935 -14.285 -2.870 44 HG13 VAL 9 3HG1 VAL 9 -14.691 -13.414 -4.404 45 HG21 VAL 9 1HG2 VAL 9 -11.311 -12.820 -4.337 46 HG22 VAL 9 2HG2 VAL 9 -11.012 -14.287 -3.374 47 HG23 VAL 9 3HG2 VAL 9 -12.052 -14.366 -4.816 48 H THR 10 H THR 10 -11.479 -10.437 -4.260 49 HA THR 10 HA THR 10 -9.502 -10.378 -2.156 50 HB THR 10 HB THR 10 -9.557 -8.931 -4.851 51 HG1 THR 10 HG1 THR 10 -8.825 -11.625 -3.949 52 HG21 THR 10 1HG2 THR 10 -7.206 -10.189 -3.370 53 HG22 THR 10 2HG2 THR 10 -7.161 -9.020 -4.711 54 HG23 THR 10 3HG2 THR 10 -7.675 -8.495 -3.090 55 HA PRO 11 HA PRO 11 -11.159 -6.760 -0.430 56 HB2 PRO 11 1HB PRO 11 -9.461 -6.598 1.705 57 HB3 PRO 11 2HB PRO 11 -10.920 -7.568 1.713 58 HG2 PRO 11 1HG PRO 11 -8.110 -8.452 1.471 59 HG3 PRO 11 2HG PRO 11 -9.523 -9.393 1.904 60 HD2 PRO 11 1HD PRO 11 -8.177 -9.383 -0.629 61 HD3 PRO 11 2HD PRO 11 -9.656 -10.234 -0.232 62 H SER 12 H SER 12 -10.850 -4.556 -0.503 63 HA SER 12 HA SER 12 -8.786 -3.808 -2.216 64 HB2 SER 12 1HB SER 12 -10.758 -2.289 -0.485 65 HB3 SER 12 2HB SER 12 -9.519 -1.426 -1.374 66 HG SER 12 HG SER 12 -11.875 -2.497 -2.292 67 H LEU 13 H LEU 13 -6.878 -2.497 -1.794 68 HA LEU 13 HA LEU 13 -5.806 -2.995 0.862 69 HB2 LEU 13 1HB LEU 13 -4.542 -3.679 -1.125 70 HB3 LEU 13 2HB LEU 13 -4.494 -2.017 -1.679 71 HG LEU 13 HG LEU 13 -3.193 -1.397 0.345 72 HD11 LEU 13 1HD1 LEU 13 -4.073 -3.879 1.314 73 HD12 LEU 13 2HD1 LEU 13 -2.317 -4.050 1.080 74 HD13 LEU 13 3HD1 LEU 13 -2.955 -2.737 2.098 75 HD21 LEU 13 1HD2 LEU 13 -1.628 -1.616 -1.240 76 HD22 LEU 13 2HD2 LEU 13 -1.208 -3.130 -0.402 77 HD23 LEU 13 3HD2 LEU 13 -2.286 -3.166 -1.819 78 H ARG 14 H ARG 14 -6.057 -1.489 2.414 79 HA ARG 14 HA ARG 14 -6.241 1.264 1.485 80 HB2 ARG 14 1HB ARG 14 -8.306 0.477 2.603 81 HB3 ARG 14 2HB ARG 14 -7.388 -0.053 3.998 82 HG2 ARG 14 1HG ARG 14 -6.562 2.530 3.941 83 HG3 ARG 14 2HG ARG 14 -8.109 2.740 3.145 84 HD2 ARG 14 1HD ARG 14 -8.838 1.111 5.253 85 HD3 ARG 14 2HD ARG 14 -7.520 2.009 5.979 86 HE ARG 14 HE ARG 14 -9.360 3.743 4.524 87 HH11 ARG 14 1HH1 ARG 14 -8.827 2.087 7.582 88 HH12 ARG 14 2HH1 ARG 14 -9.818 3.177 8.492 89 HH21 ARG 14 1HH2 ARG 14 -10.669 5.182 5.724 90 HH22 ARG 14 2HH2 ARG 14 -10.874 4.949 7.428 91 H LEU 15 H LEU 15 -4.123 2.034 1.671 92 HA LEU 15 HA LEU 15 -2.522 1.232 3.929 93 HB2 LEU 15 1HB LEU 15 -2.015 3.026 1.556 94 HB3 LEU 15 2HB LEU 15 -0.839 2.738 2.823 95 HG LEU 15 HG LEU 15 -2.049 0.527 1.146 96 HD11 LEU 15 1HD1 LEU 15 0.702 1.040 0.508 97 HD12 LEU 15 2HD1 LEU 15 -0.725 1.038 -0.556 98 HD13 LEU 15 3HD1 LEU 15 -0.247 2.530 0.290 99 HD21 LEU 15 1HD2 LEU 15 -0.810 0.275 3.522 100 HD22 LEU 15 2HD2 LEU 15 -0.703 -0.935 2.221 101 HD23 LEU 15 3HD2 LEU 15 0.605 0.252 2.442 102 H VAL 16 H VAL 16 -2.849 2.144 5.883 103 HA VAL 16 HA VAL 16 -3.824 4.900 5.929 104 HB VAL 16 HB VAL 16 -3.793 2.662 7.955 105 HG11 VAL 16 1HG1 VAL 16 -3.308 4.886 9.010 106 HG12 VAL 16 2HG1 VAL 16 -4.869 5.467 8.381 107 HG13 VAL 16 3HG1 VAL 16 -4.825 4.131 9.556 108 HG21 VAL 16 1HG2 VAL 16 -5.546 3.050 5.945 109 HG22 VAL 16 2HG2 VAL 16 -6.007 2.372 7.525 110 HG23 VAL 16 3HG2 VAL 16 -6.283 4.097 7.182 111 H PHE 17 H PHE 17 -2.475 6.549 6.439 112 HA PHE 17 HA PHE 17 0.241 5.886 7.114 113 HB2 PHE 17 1HB PHE 17 -1.446 8.300 6.357 114 HB3 PHE 17 2HB PHE 17 0.087 8.612 7.145 115 HD1 PHE 17 HD2 PHE 17 2.189 7.574 6.077 116 HD2 PHE 17 HD1 PHE 17 -1.528 7.909 4.057 117 HE1 PHE 17 HE2 PHE 17 3.367 7.349 3.872 118 HE2 PHE 17 HE1 PHE 17 -0.350 7.683 1.852 119 HZ PHE 17 HZ PHE 17 2.084 7.406 1.786 120 H VAL 18 H VAL 18 0.116 5.032 9.263 121 HA VAL 18 HA VAL 18 -1.188 6.518 11.314 122 HB VAL 18 HB VAL 18 0.064 4.852 12.767 123 HG11 VAL 18 1HG1 VAL 18 -2.145 4.277 12.406 124 HG12 VAL 18 2HG1 VAL 18 -1.942 4.159 10.641 125 HG13 VAL 18 3HG1 VAL 18 -1.305 2.876 11.698 126 HG21 VAL 18 1HG2 VAL 18 0.580 3.012 10.579 127 HG22 VAL 18 2HG2 VAL 18 1.572 4.482 10.433 128 HG23 VAL 18 3HG2 VAL 18 1.637 3.509 11.922 129 H LYS 19 H LYS 19 2.084 6.332 9.914 130 HA LYS 19 HA LYS 19 2.810 8.577 11.645 131 HB2 LYS 19 1HB LYS 19 4.526 6.134 11.111 132 HB3 LYS 19 2HB LYS 19 5.094 7.606 11.871 133 HG2 LYS 19 1HG LYS 19 2.732 6.951 13.287 134 HG3 LYS 19 2HG LYS 19 3.524 5.409 13.024 135 HD2 LYS 19 1HD LYS 19 5.605 7.204 13.763 136 HD3 LYS 19 2HD LYS 19 4.272 7.576 14.838 137 HE2 LYS 19 1HE LYS 19 4.281 4.769 14.786 138 HE3 LYS 19 2HE LYS 19 5.986 5.171 14.742 139 HZ1 LYS 19 1HZ LYS 19 4.706 5.044 16.970 140 HZ2 LYS 19 2HZ LYS 19 5.870 6.169 16.758 141 HZ3 LYS 19 3HZ LYS 19 4.297 6.588 16.629 142 H GLY 20 H GLY 20 5.334 9.102 10.599 143 HA2 GLY 20 1HA GLY 20 6.468 9.727 8.714 144 HA3 GLY 20 2HA GLY 20 5.185 9.087 7.706 145 HA PRO 21 HA PRO 21 4.773 13.625 7.742 146 HB2 PRO 21 1HB PRO 21 5.050 14.067 5.060 147 HB3 PRO 21 2HB PRO 21 6.379 14.198 6.195 148 HG2 PRO 21 1HG PRO 21 5.810 12.047 4.248 149 HG3 PRO 21 2HG PRO 21 7.313 12.413 5.071 150 HD2 PRO 21 1HD PRO 21 5.487 10.291 5.696 151 HD3 PRO 21 2HD PRO 21 6.929 10.729 6.589 152 H ARG 22 H ARG 22 3.320 11.044 6.033 153 HA ARG 22 HA ARG 22 1.071 12.719 5.387 154 HB2 ARG 22 1HB ARG 22 2.066 10.013 4.579 155 HB3 ARG 22 2HB ARG 22 0.322 10.170 4.640 156 HG2 ARG 22 1HG ARG 22 0.246 11.616 2.847 157 HG3 ARG 22 2HG ARG 22 1.712 12.451 3.320 158 HD2 ARG 22 1HD ARG 22 2.961 11.213 1.879 159 HD3 ARG 22 2HD ARG 22 2.372 9.715 2.572 160 HE ARG 22 HE ARG 22 0.784 9.550 0.848 161 HH11 ARG 22 1HH1 ARG 22 2.158 12.789 0.882 162 HH12 ARG 22 2HH1 ARG 22 1.427 13.253 -0.619 163 HH21 ARG 22 1HH2 ARG 22 -0.180 10.161 -1.131 164 HH22 ARG 22 2HH2 ARG 22 0.088 11.748 -1.771 165 H GLU 23 H GLU 23 2.154 11.316 8.142 166 HA GLU 23 HA GLU 23 0.426 9.570 9.121 167 HB2 GLU 23 1HB GLU 23 2.276 10.446 10.439 168 HB3 GLU 23 2HB GLU 23 1.553 12.041 10.499 169 HG2 GLU 23 1HG GLU 23 -0.328 10.021 11.481 170 HG3 GLU 23 2HG GLU 23 1.187 9.928 12.357 171 H GLY 24 H GLY 24 -1.771 9.417 9.101 172 HA2 GLY 24 1HA GLY 24 -3.811 10.266 10.037 173 HA3 GLY 24 2HA GLY 24 -3.312 11.888 9.601 174 H ASP 25 H ASP 25 -2.261 9.889 7.101 175 HA ASP 25 HA ASP 25 -4.619 10.603 5.572 176 HB2 ASP 25 1HB ASP 25 -1.733 9.979 4.868 177 HB3 ASP 25 2HB ASP 25 -2.971 9.885 3.632 178 H ALA 26 H ALA 26 -5.331 8.927 3.875 179 HA ALA 26 HA ALA 26 -4.445 6.226 4.272 180 HB1 ALA 26 1HB ALA 26 -6.170 6.838 6.138 181 HB2 ALA 26 2HB ALA 26 -7.368 6.764 4.824 182 HB3 ALA 26 3HB ALA 26 -6.395 5.328 5.222 183 H LEU 27 H LEU 27 -4.674 5.103 2.370 184 HA LEU 27 HA LEU 27 -6.379 6.383 0.347 185 HB2 LEU 27 1HB LEU 27 -3.831 4.839 -0.135 186 HB3 LEU 27 2HB LEU 27 -4.805 5.675 -1.329 187 HG LEU 27 HG LEU 27 -3.834 7.378 0.885 188 HD11 LEU 27 1HD1 LEU 27 -1.930 5.945 -0.959 189 HD12 LEU 27 2HD1 LEU 27 -1.554 7.550 -0.288 190 HD13 LEU 27 3HD1 LEU 27 -1.835 6.172 0.803 191 HD21 LEU 27 1HD2 LEU 27 -4.387 8.916 -0.610 192 HD22 LEU 27 2HD2 LEU 27 -3.108 8.324 -1.696 193 HD23 LEU 27 3HD2 LEU 27 -4.752 7.648 -1.804 194 H ASP 28 H ASP 28 -6.965 4.696 -1.460 195 HA ASP 28 HA ASP 28 -7.278 2.064 -0.334 196 HB2 ASP 28 1HB ASP 28 -9.320 3.296 0.374 197 HB3 ASP 28 2HB ASP 28 -9.616 3.787 -1.282 198 H TYR 29 H TYR 29 -7.173 0.509 -2.016 199 HA TYR 29 HA TYR 29 -7.570 1.488 -4.752 200 HB2 TYR 29 1HB TYR 29 -5.294 -0.212 -3.553 201 HB3 TYR 29 2HB TYR 29 -5.480 0.077 -5.271 202 HD1 TYR 29 HD2 TYR 29 -5.176 2.403 -6.182 203 HD2 TYR 29 HD1 TYR 29 -4.274 1.413 -2.119 204 HE1 TYR 29 HE2 TYR 29 -3.779 4.516 -5.970 205 HE2 TYR 29 HE1 TYR 29 -2.880 3.530 -1.920 206 HH TYR 29 HH TYR 29 -2.049 5.238 -2.952 207 H LYS 30 H LYS 30 -7.917 -0.295 -6.335 208 HA LYS 30 HA LYS 30 -9.608 -2.284 -5.147 209 HB2 LYS 30 1HB LYS 30 -10.464 -2.587 -7.258 210 HB3 LYS 30 2HB LYS 30 -9.924 -0.923 -7.356 211 HG2 LYS 30 1HG LYS 30 -7.625 -2.314 -8.085 212 HG3 LYS 30 2HG LYS 30 -8.888 -3.329 -8.754 213 HD2 LYS 30 1HD LYS 30 -9.317 -0.424 -9.217 214 HD3 LYS 30 2HD LYS 30 -7.861 -1.049 -9.965 215 HE2 LYS 30 1HE LYS 30 -9.337 -1.580 -11.662 216 HE3 LYS 30 2HE LYS 30 -9.543 -3.034 -10.705 217 HZ1 LYS 30 1HZ LYS 30 -11.323 -1.608 -9.532 218 HZ2 LYS 30 2HZ LYS 30 -11.303 -0.732 -10.911 219 HZ3 LYS 30 3HZ LYS 30 -11.671 -2.323 -10.959 220 HA PRO 31 HA PRO 31 -6.835 -5.590 -5.207 221 HB2 PRO 31 1HB PRO 31 -8.364 -7.733 -5.939 222 HB3 PRO 31 2HB PRO 31 -8.379 -7.052 -4.324 223 HG2 PRO 31 1HG PRO 31 -10.405 -6.797 -6.462 224 HG3 PRO 31 2HG PRO 31 -10.579 -6.499 -4.744 225 HD2 PRO 31 1HD PRO 31 -10.315 -4.527 -6.810 226 HD3 PRO 31 2HD PRO 31 -10.372 -4.234 -5.083 227 H GLY 32 H GLY 32 -5.119 -6.209 -6.372 228 HA2 GLY 32 1HA GLY 32 -4.164 -7.200 -8.240 229 HA3 GLY 32 2HA GLY 32 -5.633 -6.935 -9.157 230 H SER 33 H SER 33 -4.599 -4.219 -7.217 231 HA SER 33 HA SER 33 -3.573 -2.992 -9.655 232 HB2 SER 33 1HB SER 33 -5.435 -2.058 -7.536 233 HB3 SER 33 2HB SER 33 -4.220 -0.880 -7.991 234 HG SER 33 HG SER 33 -5.373 -0.484 -9.740 235 H THR 34 H THR 34 -1.360 -2.844 -9.581 236 HA THR 34 HA THR 34 0.096 -3.073 -7.179 237 HB THR 34 HB THR 34 0.847 -2.123 -9.994 238 HG1 THR 34 HG1 THR 34 -0.087 -4.347 -9.532 239 HG21 THR 34 1HG2 THR 34 2.503 -1.689 -7.949 240 HG22 THR 34 2HG2 THR 34 2.714 -3.456 -8.008 241 HG23 THR 34 3HG2 THR 34 3.119 -2.463 -9.429 242 H ILE 35 H ILE 35 0.645 -1.651 -5.648 243 HA ILE 35 HA ILE 35 0.212 1.178 -6.309 244 HB ILE 35 HB ILE 35 -0.091 -0.305 -3.698 245 HG12 ILE 35 1HG1 ILE 35 -2.356 1.273 -4.558 246 HG13 ILE 35 2HG1 ILE 35 -1.892 0.156 -5.826 247 HG21 ILE 35 1HG2 ILE 35 0.493 1.607 -2.709 248 HG22 ILE 35 2HG2 ILE 35 0.435 2.521 -4.236 249 HG23 ILE 35 3HG2 ILE 35 -1.057 2.250 -3.304 250 HD11 ILE 35 1HD1 ILE 35 -1.834 -1.692 -4.064 251 HD12 ILE 35 2HD1 ILE 35 -2.552 -0.524 -2.929 252 HD13 ILE 35 3HD1 ILE 35 -3.446 -1.010 -4.389 253 H ARG 36 H ARG 36 2.255 1.738 -7.059 254 HA ARG 36 HA ARG 36 4.548 0.813 -5.697 255 HB2 ARG 36 1HB ARG 36 4.221 3.041 -7.772 256 HB3 ARG 36 2HB ARG 36 5.760 2.376 -7.261 257 HG2 ARG 36 1HG ARG 36 4.062 0.162 -7.984 258 HG3 ARG 36 2HG ARG 36 3.939 1.356 -9.261 259 HD2 ARG 36 1HD ARG 36 6.604 0.367 -8.138 260 HD3 ARG 36 2HD ARG 36 5.835 -0.328 -9.551 261 HE ARG 36 HE ARG 36 6.010 2.526 -9.872 262 HH11 ARG 36 1HH1 ARG 36 8.026 -0.358 -9.886 263 HH12 ARG 36 2HH1 ARG 36 9.215 0.323 -10.946 264 HH21 ARG 36 1HH2 ARG 36 7.578 3.425 -11.270 265 HH22 ARG 36 2HH2 ARG 36 8.958 2.490 -11.738 266 H VAL 37 H VAL 37 5.164 1.614 -3.711 267 HA VAL 37 HA VAL 37 4.423 4.374 -3.085 268 HB VAL 37 HB VAL 37 5.380 2.145 -1.280 269 HG11 VAL 37 1HG1 VAL 37 5.490 3.676 0.335 270 HG12 VAL 37 2HG1 VAL 37 5.116 4.945 -0.856 271 HG13 VAL 37 3HG1 VAL 37 3.799 4.146 0.036 272 HG21 VAL 37 1HG2 VAL 37 2.872 2.269 -0.558 273 HG22 VAL 37 2HG2 VAL 37 2.626 2.965 -2.177 274 HG23 VAL 37 3HG2 VAL 37 3.326 1.337 -2.006 275 H GLY 38 H GLY 38 5.955 5.854 -3.584 276 HA2 GLY 38 1HA GLY 38 8.757 5.148 -2.963 277 HA3 GLY 38 2HA GLY 38 8.314 5.913 -4.476 278 H ARG 39 H ARG 39 9.600 7.797 -4.005 279 HA ARG 39 HA ARG 39 8.609 9.340 -1.754 280 HB2 ARG 39 1HB ARG 39 11.010 9.060 -1.646 281 HB3 ARG 39 2HB ARG 39 11.208 9.429 -3.347 282 HG2 ARG 39 1HG ARG 39 10.630 11.766 -2.999 283 HG3 ARG 39 2HG ARG 39 10.092 11.455 -1.360 284 HD2 ARG 39 1HD ARG 39 12.199 11.725 -0.554 285 HD3 ARG 39 2HD ARG 39 12.825 10.505 -1.645 286 HE ARG 39 HE ARG 39 12.388 12.820 -3.211 287 HH11 ARG 39 1HH1 ARG 39 14.400 11.861 -0.489 288 HH12 ARG 39 2HH1 ARG 39 15.676 12.966 -0.878 289 HH21 ARG 39 1HH2 ARG 39 14.070 14.278 -3.725 290 HH22 ARG 39 2HH2 ARG 39 15.487 14.350 -2.731 291 H ILE 40 H ILE 40 9.064 9.249 -5.287 292 HA ILE 40 HA ILE 40 7.976 11.957 -5.495 293 HB ILE 40 HB ILE 40 8.674 11.712 -7.896 294 HG12 ILE 40 1HG1 ILE 40 10.275 9.337 -6.919 295 HG13 ILE 40 2HG1 ILE 40 8.754 9.171 -7.773 296 HG21 ILE 40 1HG2 ILE 40 10.456 11.911 -5.529 297 HG22 ILE 40 2HG2 ILE 40 11.241 11.710 -7.113 298 HG23 ILE 40 3HG2 ILE 40 10.135 13.077 -6.836 299 HD11 ILE 40 1HD1 ILE 40 10.615 9.025 -9.368 300 HD12 ILE 40 2HD1 ILE 40 9.691 10.515 -9.676 301 HD13 ILE 40 3HD1 ILE 40 11.247 10.594 -8.814 302 H VAL 41 H VAL 41 6.031 12.378 -6.572 303 HA VAL 41 HA VAL 41 4.169 10.242 -6.528 304 HB VAL 41 HB VAL 41 2.695 12.036 -7.580 305 HG11 VAL 41 1HG1 VAL 41 2.749 13.422 -5.415 306 HG12 VAL 41 2HG1 VAL 41 2.463 11.672 -5.266 307 HG13 VAL 41 3HG1 VAL 41 4.071 12.345 -4.906 308 HG21 VAL 41 1HG2 VAL 41 3.551 13.974 -8.287 309 HG22 VAL 41 2HG2 VAL 41 4.425 14.217 -6.756 310 HG23 VAL 41 3HG2 VAL 41 5.170 13.268 -8.064 311 H ARG 42 H ARG 42 6.132 11.881 -9.027 312 HA ARG 42 HA ARG 42 4.727 10.702 -11.157 313 HB2 ARG 42 1HB ARG 42 7.482 12.010 -10.962 314 HB3 ARG 42 2HB ARG 42 6.812 11.450 -12.481 315 HG2 ARG 42 1HG ARG 42 5.679 13.401 -12.678 316 HG3 ARG 42 2HG ARG 42 4.747 12.987 -11.253 317 HD2 ARG 42 1HD ARG 42 6.811 13.889 -9.897 318 HD3 ARG 42 2HD ARG 42 7.306 14.625 -11.409 319 HE ARG 42 HE ARG 42 5.016 15.409 -9.745 320 HH11 ARG 42 1HH1 ARG 42 6.468 15.578 -12.946 321 HH12 ARG 42 2HH1 ARG 42 5.601 17.005 -13.404 322 HH21 ARG 42 1HH2 ARG 42 3.872 17.293 -10.348 323 HH22 ARG 42 2HH2 ARG 42 4.114 17.988 -11.916 324 H GLY 43 H GLY 43 4.777 8.523 -11.617 325 HA2 GLY 43 1HA GLY 43 6.119 6.731 -12.475 326 HA3 GLY 43 2HA GLY 43 7.360 7.124 -11.301 327 H ASN 44 H ASN 44 5.909 7.468 -8.922 328 HA ASN 44 HA ASN 44 4.909 4.758 -8.582 329 HB2 ASN 44 1HB ASN 44 5.694 6.639 -6.318 330 HB3 ASN 44 2HB ASN 44 5.640 4.888 -6.295 331 HD21 ASN 44 1HD2 ASN 44 7.359 7.720 -7.409 332 HD22 ASN 44 2HD2 ASN 44 8.875 6.964 -7.769 333 H GLU 45 H GLU 45 2.928 4.476 -7.264 334 HA GLU 45 HA GLU 45 1.025 6.452 -7.755 335 HB2 GLU 45 1HB GLU 45 1.000 3.970 -5.992 336 HB3 GLU 45 2HB GLU 45 -0.416 4.977 -6.221 337 HG2 GLU 45 1HG GLU 45 1.105 3.404 -8.340 338 HG3 GLU 45 2HG GLU 45 -0.561 3.187 -7.839 339 H ILE 46 H ILE 46 2.291 5.192 -4.577 340 HA ILE 46 HA ILE 46 1.409 7.680 -3.348 341 HB ILE 46 HB ILE 46 2.423 5.098 -2.153 342 HG12 ILE 46 1HG1 ILE 46 -0.395 6.202 -2.354 343 HG13 ILE 46 2HG1 ILE 46 0.251 4.883 -3.311 344 HG21 ILE 46 1HG2 ILE 46 2.694 7.416 -0.913 345 HG22 ILE 46 2HG2 ILE 46 0.964 7.173 -0.573 346 HG23 ILE 46 3HG2 ILE 46 2.152 5.956 -0.051 347 HD11 ILE 46 1HD1 ILE 46 -0.907 3.832 -1.504 348 HD12 ILE 46 2HD1 ILE 46 0.815 3.721 -1.067 349 HD13 ILE 46 3HD1 ILE 46 -0.219 4.954 -0.306 350 H ALA 47 H ALA 47 2.798 9.209 -2.488 351 HA ALA 47 HA ALA 47 5.659 8.596 -2.678 352 HB1 ALA 47 1HB ALA 47 6.044 10.247 -4.171 353 HB2 ALA 47 2HB ALA 47 4.295 10.197 -4.496 354 HB3 ALA 47 3HB ALA 47 4.951 11.373 -3.332 355 H ILE 48 H ILE 48 6.732 9.075 -0.817 356 HA ILE 48 HA ILE 48 5.352 10.886 1.042 357 HB ILE 48 HB ILE 48 6.918 8.368 1.599 358 HG12 ILE 48 1HG1 ILE 48 4.225 8.754 2.735 359 HG13 ILE 48 2HG1 ILE 48 4.258 8.660 0.986 360 HG21 ILE 48 1HG2 ILE 48 7.358 10.369 3.159 361 HG22 ILE 48 2HG2 ILE 48 5.686 10.120 3.716 362 HG23 ILE 48 3HG2 ILE 48 6.884 8.815 3.887 363 HD11 ILE 48 1HD1 ILE 48 5.552 6.634 2.869 364 HD12 ILE 48 2HD1 ILE 48 4.008 6.410 2.014 365 HD13 ILE 48 3HD1 ILE 48 5.525 6.532 1.092 366 H LYS 49 H LYS 49 6.442 12.715 1.522 367 HA LYS 49 HA LYS 49 9.202 12.874 0.623 368 HB2 LYS 49 1HB LYS 49 7.101 14.911 1.364 369 HB3 LYS 49 2HB LYS 49 8.788 15.356 1.208 370 HG2 LYS 49 1HG LYS 49 7.752 13.697 -1.038 371 HG3 LYS 49 2HG LYS 49 6.979 15.263 -0.886 372 HD2 LYS 49 1HD LYS 49 8.855 16.396 -1.549 373 HD3 LYS 49 2HD LYS 49 9.919 15.405 -0.571 374 HE2 LYS 49 1HE LYS 49 10.401 13.983 -2.306 375 HE3 LYS 49 2HE LYS 49 8.739 13.932 -2.858 376 HZ1 LYS 49 1HZ LYS 49 9.985 16.465 -3.251 377 HZ2 LYS 49 2HZ LYS 49 10.719 15.257 -4.069 378 HZ3 LYS 49 3HZ LYS 49 9.130 15.552 -4.301 379 H ASP 50 H ASP 50 9.536 11.193 2.510 380 HA ASP 50 HA ASP 50 9.821 12.671 4.995 381 HB2 ASP 50 1HB ASP 50 8.633 10.645 5.387 382 HB3 ASP 50 2HB ASP 50 9.637 9.731 4.280 383 H ALA 51 H ALA 51 11.507 11.693 2.207 384 HA ALA 51 HA ALA 51 13.676 11.967 1.706 385 HB1 ALA 51 1HB ALA 51 14.498 11.969 4.610 386 HB2 ALA 51 2HB ALA 51 15.230 12.821 3.228 387 HB3 ALA 51 3HB ALA 51 13.690 13.394 3.913 388 H GLY 52 H GLY 52 13.158 9.953 4.685 389 HA2 GLY 52 1HA GLY 52 15.112 8.051 4.220 390 HA3 GLY 52 2HA GLY 52 13.619 7.793 5.100 391 H ILE 53 H ILE 53 12.172 8.696 2.430 392 HA ILE 53 HA ILE 53 12.230 6.003 1.290 393 HB ILE 53 HB ILE 53 10.155 8.189 1.096 394 HG12 ILE 53 1HG1 ILE 53 9.583 5.632 2.490 395 HG13 ILE 53 2HG1 ILE 53 10.694 6.713 3.308 396 HG21 ILE 53 1HG2 ILE 53 10.460 6.447 -0.829 397 HG22 ILE 53 2HG2 ILE 53 9.690 5.328 0.322 398 HG23 ILE 53 3HG2 ILE 53 8.837 6.804 -0.190 399 HD11 ILE 53 1HD1 ILE 53 7.788 7.024 2.799 400 HD12 ILE 53 2HD1 ILE 53 8.799 7.723 4.087 401 HD13 ILE 53 3HD1 ILE 53 8.746 8.490 2.481 402 H SER 54 H SER 54 12.717 5.633 -0.867 403 HA SER 54 HA SER 54 13.867 7.942 -2.192 404 HB2 SER 54 1HB SER 54 15.100 5.663 -1.768 405 HB3 SER 54 2HB SER 54 14.148 5.065 -3.112 406 HG SER 54 HG SER 54 15.572 7.527 -3.435 407 H THR 55 H THR 55 13.540 8.089 -4.633 408 HA THR 55 HA THR 55 10.926 8.342 -5.324 409 HB THR 55 HB THR 55 11.892 8.179 -7.716 410 HG1 THR 55 HG1 THR 55 13.644 6.785 -7.489 411 HG21 THR 55 1HG2 THR 55 13.916 9.739 -6.145 412 HG22 THR 55 2HG2 THR 55 12.919 10.254 -7.527 413 HG23 THR 55 3HG2 THR 55 12.216 10.201 -5.892 414 H LYS 56 H LYS 56 12.901 5.370 -5.396 415 HA LYS 56 HA LYS 56 10.418 3.932 -5.981 416 HB2 LYS 56 1HB LYS 56 11.885 2.321 -7.326 417 HB3 LYS 56 2HB LYS 56 11.436 3.838 -8.079 418 HG2 LYS 56 1HG LYS 56 13.704 4.730 -7.039 419 HG3 LYS 56 2HG LYS 56 14.116 3.031 -6.913 420 HD2 LYS 56 1HD LYS 56 14.831 3.207 -9.069 421 HD3 LYS 56 2HD LYS 56 13.134 3.171 -9.506 422 HE2 LYS 56 1HE LYS 56 13.046 5.672 -9.367 423 HE3 LYS 56 2HE LYS 56 14.743 5.706 -8.933 424 HZ1 LYS 56 1HZ LYS 56 14.710 6.016 -11.202 425 HZ2 LYS 56 2HZ LYS 56 15.067 4.427 -11.077 426 HZ3 LYS 56 3HZ LYS 56 13.554 4.895 -11.474 427 H HIS 57 H HIS 57 10.595 4.029 -3.501 428 HA HIS 57 HA HIS 57 12.661 2.577 -2.266 429 HB2 HIS 57 1HB HIS 57 11.266 4.304 -1.163 430 HB3 HIS 57 2HB HIS 57 9.879 3.237 -1.258 431 HD2 HIS 57 HD2 HIS 57 10.924 0.491 -0.005 432 HE1 HIS 57 HE1 HIS 57 12.535 2.809 3.179 433 HE2 HIS 57 HE2 HIS 57 11.771 0.464 2.398 434 H LEU 58 H LEU 58 9.140 1.723 -2.625 435 HA LEU 58 HA LEU 58 9.909 -0.955 -3.385 436 HB2 LEU 58 1HB LEU 58 8.497 -1.966 -1.601 437 HB3 LEU 58 2HB LEU 58 10.019 -1.282 -1.065 438 HG LEU 58 HG LEU 58 8.945 0.593 -0.059 439 HD11 LEU 58 1HD1 LEU 58 6.375 0.740 -0.156 440 HD12 LEU 58 2HD1 LEU 58 7.311 1.301 -1.562 441 HD13 LEU 58 3HD1 LEU 58 6.513 -0.290 -1.601 442 HD21 LEU 58 1HD2 LEU 58 6.932 -0.955 1.111 443 HD22 LEU 58 2HD2 LEU 58 8.182 -2.120 0.612 444 HD23 LEU 58 3HD2 LEU 58 8.609 -0.757 1.673 445 H ARG 59 H ARG 59 7.768 -2.277 -3.780 446 HA ARG 59 HA ARG 59 5.724 -0.416 -4.664 447 HB2 ARG 59 1HB ARG 59 5.568 -1.431 -6.833 448 HB3 ARG 59 2HB ARG 59 7.286 -1.207 -6.567 449 HG2 ARG 59 1HG ARG 59 7.247 -3.641 -5.592 450 HG3 ARG 59 2HG ARG 59 5.678 -3.780 -6.362 451 HD2 ARG 59 1HD ARG 59 6.575 -3.572 -8.544 452 HD3 ARG 59 2HD ARG 59 8.017 -2.747 -7.987 453 HE ARG 59 HE ARG 59 8.066 -5.313 -6.799 454 HH11 ARG 59 1HH1 ARG 59 8.147 -3.947 -10.041 455 HH12 ARG 59 2HH1 ARG 59 9.064 -5.256 -10.708 456 HH21 ARG 59 1HH2 ARG 59 9.276 -7.041 -7.678 457 HH22 ARG 59 2HH2 ARG 59 9.710 -7.028 -9.355 458 H ILE 60 H ILE 60 3.579 -1.195 -4.411 459 HA ILE 60 HA ILE 60 3.407 -3.775 -3.037 460 HB ILE 60 HB ILE 60 1.670 -1.313 -3.011 461 HG12 ILE 60 1HG1 ILE 60 3.213 -2.748 -0.829 462 HG13 ILE 60 2HG1 ILE 60 3.697 -1.257 -1.613 463 HG21 ILE 60 1HG2 ILE 60 0.818 -4.016 -2.720 464 HG22 ILE 60 2HG2 ILE 60 0.767 -3.242 -1.118 465 HG23 ILE 60 3HG2 ILE 60 -0.113 -2.518 -2.485 466 HD11 ILE 60 1HD1 ILE 60 0.941 -1.387 -0.393 467 HD12 ILE 60 2HD1 ILE 60 2.347 -1.214 0.686 468 HD13 ILE 60 3HD1 ILE 60 2.034 0.008 -0.571 469 H GLU 61 H GLU 61 2.100 -5.430 -3.804 470 HA GLU 61 HA GLU 61 0.430 -4.851 -6.072 471 HB2 GLU 61 1HB GLU 61 1.437 -6.655 -7.457 472 HB3 GLU 61 2HB GLU 61 2.568 -5.351 -7.157 473 HG2 GLU 61 1HG GLU 61 4.006 -6.976 -6.458 474 HG3 GLU 61 2HG GLU 61 3.054 -7.013 -4.987 475 H SER 62 H SER 62 -0.863 -6.917 -6.702 476 HA SER 62 HA SER 62 -1.184 -8.554 -4.312 477 HB2 SER 62 1HB SER 62 -3.056 -7.027 -4.349 478 HB3 SER 62 2HB SER 62 -3.321 -7.280 -6.063 479 HG SER 62 HG SER 62 -3.959 -9.472 -5.613 480 H ASP 63 H ASP 63 -1.820 -10.785 -4.703 481 HA ASP 63 HA ASP 63 -2.127 -11.606 -7.419 482 HB2 ASP 63 1HB ASP 63 0.355 -12.192 -5.788 483 HB3 ASP 63 2HB ASP 63 -0.228 -13.413 -6.901 484 H SER 64 H SER 64 -2.630 -14.053 -7.464 485 HA SER 64 HA SER 64 -4.010 -15.598 -6.743 486 HB2 SER 64 1HB SER 64 -1.654 -15.571 -4.925 487 HB3 SER 64 2HB SER 64 -3.019 -16.493 -4.329 488 HG SER 64 HG SER 64 -1.696 -17.866 -5.592 489 H GLY 65 H GLY 65 -5.371 -13.344 -6.298 490 HA2 GLY 65 1HA GLY 65 -6.849 -12.243 -4.995 491 HA3 GLY 65 2HA GLY 65 -7.233 -13.842 -4.389 492 H ASN 66 H ASN 66 -4.096 -12.108 -3.997 493 HA ASN 66 HA ASN 66 -4.778 -11.566 -1.251 494 HB2 ASN 66 1HB ASN 66 -2.566 -13.448 -2.165 495 HB3 ASN 66 2HB ASN 66 -2.392 -12.561 -0.664 496 HD21 ASN 66 1HD2 ASN 66 -3.281 -13.321 1.116 497 HD22 ASN 66 2HD2 ASN 66 -4.428 -14.614 1.230 498 H TRP 67 H TRP 67 -2.876 -10.224 -0.223 499 HA TRP 67 HA TRP 67 -1.708 -8.561 -2.342 500 HB2 TRP 67 1HB TRP 67 -2.488 -7.944 0.508 501 HB3 TRP 67 2HB TRP 67 -1.505 -6.874 -0.471 502 HD1 TRP 67 HD1 TRP 67 -5.127 -8.085 -0.117 503 HE1 TRP 67 HE1 TRP 67 -6.783 -6.620 -1.559 504 HE3 TRP 67 HE3 TRP 67 -1.517 -5.498 -2.593 505 HZ2 TRP 67 HZ2 TRP 67 -6.405 -4.591 -3.530 506 HZ3 TRP 67 HZ3 TRP 67 -2.245 -3.793 -4.259 507 HH2 TRP 67 HH2 TRP 67 -4.594 -3.322 -4.743 508 H VAL 68 H VAL 68 0.547 -7.974 -2.153 509 HA VAL 68 HA VAL 68 2.057 -9.330 -0.071 510 HB VAL 68 HB VAL 68 3.427 -10.544 -1.509 511 HG11 VAL 68 1HG1 VAL 68 0.606 -10.750 -2.616 512 HG12 VAL 68 2HG1 VAL 68 1.893 -11.957 -2.850 513 HG13 VAL 68 3HG1 VAL 68 1.269 -11.628 -1.216 514 HG21 VAL 68 1HG2 VAL 68 4.114 -9.574 -3.402 515 HG22 VAL 68 2HG2 VAL 68 2.608 -10.154 -4.153 516 HG23 VAL 68 3HG2 VAL 68 2.684 -8.516 -3.461 517 H ILE 69 H ILE 69 4.180 -8.395 0.246 518 HA ILE 69 HA ILE 69 4.441 -5.791 -1.090 519 HB ILE 69 HB ILE 69 3.738 -5.608 1.249 520 HG12 ILE 69 1HG1 ILE 69 6.516 -4.615 1.413 521 HG13 ILE 69 2HG1 ILE 69 5.667 -4.173 -0.055 522 HG21 ILE 69 1HG2 ILE 69 5.516 -6.178 3.001 523 HG22 ILE 69 2HG2 ILE 69 4.564 -7.520 2.322 524 HG23 ILE 69 3HG2 ILE 69 6.227 -7.233 1.756 525 HD11 ILE 69 1HD1 ILE 69 5.405 -2.975 2.503 526 HD12 ILE 69 2HD1 ILE 69 4.426 -2.640 1.055 527 HD13 ILE 69 3HD1 ILE 69 3.888 -3.864 2.230 528 H GLN 70 H GLN 70 6.551 -5.130 -1.709 529 HA GLN 70 HA GLN 70 8.626 -7.106 -1.303 530 HB2 GLN 70 1HB GLN 70 7.461 -7.567 -3.514 531 HB3 GLN 70 2HB GLN 70 7.974 -5.984 -4.062 532 HG2 GLN 70 1HG GLN 70 10.131 -6.665 -4.410 533 HG3 GLN 70 2HG GLN 70 10.195 -7.553 -2.901 534 HE21 GLN 70 1HE2 GLN 70 9.876 -9.694 -2.854 535 HE22 GLN 70 2HE2 GLN 70 9.550 -10.693 -4.231 536 H ASP 71 H ASP 71 10.479 -6.099 -0.645 537 HA ASP 71 HA ASP 71 10.525 -3.249 -0.768 538 HB2 ASP 71 1HB ASP 71 11.314 -4.206 1.280 539 HB3 ASP 71 2HB ASP 71 12.299 -5.393 0.447 540 H LEU 72 H LEU 72 11.195 -2.359 -2.740 541 HA LEU 72 HA LEU 72 12.862 -3.791 -4.528 542 HB2 LEU 72 1HB LEU 72 11.858 -0.947 -4.454 543 HB3 LEU 72 2HB LEU 72 12.852 -1.580 -5.751 544 HG LEU 72 HG LEU 72 11.173 -2.909 -6.602 545 HD11 LEU 72 1HD1 LEU 72 9.267 -3.779 -5.400 546 HD12 LEU 72 2HD1 LEU 72 10.758 -4.143 -4.498 547 HD13 LEU 72 3HD1 LEU 72 9.692 -2.823 -3.960 548 HD21 LEU 72 1HD2 LEU 72 10.613 -0.425 -6.614 549 HD22 LEU 72 2HD2 LEU 72 9.272 -1.555 -6.918 550 HD23 LEU 72 3HD2 LEU 72 9.445 -0.789 -5.321 551 H GLY 73 H GLY 73 14.432 -4.170 -2.545 552 HA2 GLY 73 1HA GLY 73 16.337 -3.628 -1.426 553 HA3 GLY 73 2HA GLY 73 16.881 -3.255 -3.049 554 H SER 74 H SER 74 14.468 -1.563 -0.930 555 HA SER 74 HA SER 74 15.388 0.941 -1.676 556 HB2 SER 74 1HB SER 74 13.939 1.782 0.139 557 HB3 SER 74 2HB SER 74 13.125 0.536 -0.785 558 HG SER 74 HG SER 74 14.072 -0.963 0.988 559 H SER 75 H SER 75 16.069 2.626 0.186 560 HA SER 75 HA SER 75 18.574 1.681 1.095 561 HB2 SER 75 1HB SER 75 17.091 4.289 1.081 562 HB3 SER 75 2HB SER 75 18.366 4.118 2.271 563 HG SER 75 HG SER 75 18.640 3.740 -0.590 564 H ASN 76 H ASN 76 19.316 1.628 3.353 565 HA ASN 76 HA ASN 76 19.153 1.264 5.490 566 HB2 ASN 76 1HB ASN 76 16.218 2.132 5.388 567 HB3 ASN 76 2HB ASN 76 17.232 2.063 6.816 568 HD21 ASN 76 1HD2 ASN 76 15.956 4.032 4.518 569 HD22 ASN 76 2HD2 ASN 76 17.035 5.384 4.590 570 H GLY 77 H GLY 77 15.807 0.587 4.182 571 HA2 GLY 77 1HA GLY 77 15.533 -1.866 3.601 572 HA3 GLY 77 2HA GLY 77 16.017 -2.154 5.260 573 H THR 78 H THR 78 13.440 -2.835 3.983 574 HA THR 78 HA THR 78 11.598 -0.964 5.276 575 HB THR 78 HB THR 78 11.100 -3.332 3.396 576 HG1 THR 78 HG1 THR 78 11.228 -1.671 1.810 577 HG21 THR 78 1HG2 THR 78 8.928 -2.353 3.036 578 HG22 THR 78 2HG2 THR 78 9.131 -2.371 4.804 579 HG23 THR 78 3HG2 THR 78 9.379 -0.861 3.895 580 H LEU 79 H LEU 79 9.787 -1.832 6.570 581 HA LEU 79 HA LEU 79 10.501 -4.338 7.901 582 HB2 LEU 79 1HB LEU 79 10.152 -1.634 9.144 583 HB3 LEU 79 2HB LEU 79 9.711 -3.073 10.041 584 HG LEU 79 HG LEU 79 12.455 -2.614 8.843 585 HD11 LEU 79 1HD1 LEU 79 12.161 -0.894 10.457 586 HD12 LEU 79 2HD1 LEU 79 11.415 -2.016 11.620 587 HD13 LEU 79 3HD1 LEU 79 13.143 -2.166 11.222 588 HD21 LEU 79 1HD2 LEU 79 11.391 -4.982 9.539 589 HD22 LEU 79 2HD2 LEU 79 13.117 -4.587 9.728 590 HD23 LEU 79 3HD2 LEU 79 12.017 -4.463 11.123 591 H LEU 80 H LEU 80 8.779 -5.685 8.190 592 HA LEU 80 HA LEU 80 6.138 -4.490 7.708 593 HB2 LEU 80 1HB LEU 80 6.840 -5.842 5.833 594 HB3 LEU 80 2HB LEU 80 7.212 -7.190 6.889 595 HG LEU 80 HG LEU 80 4.761 -7.248 7.525 596 HD11 LEU 80 1HD1 LEU 80 4.248 -4.928 6.798 597 HD12 LEU 80 2HD1 LEU 80 4.428 -5.455 5.107 598 HD13 LEU 80 3HD1 LEU 80 3.142 -6.150 6.123 599 HD21 LEU 80 1HD2 LEU 80 5.447 -7.745 4.615 600 HD22 LEU 80 2HD2 LEU 80 5.776 -8.849 5.972 601 HD23 LEU 80 3HD2 LEU 80 4.096 -8.469 5.521 602 H ASN 81 H ASN 81 4.993 -4.383 9.559 603 HA ASN 81 HA ASN 81 4.112 -4.925 11.463 604 HB2 ASN 81 1HB ASN 81 4.763 -7.618 10.325 605 HB3 ASN 81 2HB ASN 81 4.510 -7.599 12.059 606 HD21 ASN 81 1HD2 ASN 81 3.033 -8.135 9.248 607 HD22 ASN 81 2HD2 ASN 81 1.396 -7.694 9.601 608 H SER 82 H SER 82 6.644 -7.520 11.552 609 HA SER 82 HA SER 82 8.299 -5.902 13.243 610 HB2 SER 82 1HB SER 82 6.565 -8.088 14.277 611 HB3 SER 82 2HB SER 82 8.240 -8.193 14.783 612 HG SER 82 HG SER 82 8.075 -6.338 15.933 613 H ASN 83 H ASN 83 9.127 -6.523 10.825 614 HA ASN 83 HA ASN 83 11.271 -8.248 11.258 615 HB2 ASN 83 1HB ASN 83 8.948 -9.635 10.503 616 HB3 ASN 83 2HB ASN 83 9.766 -9.400 8.971 617 HD21 ASN 83 1HD2 ASN 83 9.283 -11.768 10.739 618 HD22 ASN 83 2HD2 ASN 83 10.827 -12.519 10.965 619 H ALA 84 H ALA 84 12.857 -7.867 9.584 620 HA ALA 84 HA ALA 84 12.253 -5.652 7.865 621 HB1 ALA 84 1HB ALA 84 14.415 -5.357 8.449 622 HB2 ALA 84 2HB ALA 84 14.603 -7.060 8.931 623 HB3 ALA 84 3HB ALA 84 14.791 -6.592 7.224 624 H LEU 85 H LEU 85 11.537 -5.767 5.795 625 HA LEU 85 HA LEU 85 10.980 -8.270 4.635 626 HB2 LEU 85 1HB LEU 85 10.968 -5.465 3.518 627 HB3 LEU 85 2HB LEU 85 10.396 -6.871 2.644 628 HG LEU 85 HG LEU 85 9.259 -5.960 5.299 629 HD11 LEU 85 1HD1 LEU 85 7.775 -5.594 2.731 630 HD12 LEU 85 2HD1 LEU 85 7.672 -4.686 4.259 631 HD13 LEU 85 3HD1 LEU 85 9.046 -4.423 3.159 632 HD21 LEU 85 1HD2 LEU 85 8.170 -7.915 3.255 633 HD22 LEU 85 2HD2 LEU 85 8.956 -8.352 4.792 634 HD23 LEU 85 3HD2 LEU 85 7.416 -7.459 4.802 635 H ASP 86 H ASP 86 11.718 -8.541 2.140 636 HA ASP 86 HA ASP 86 14.583 -8.064 2.066 637 HB2 ASP 86 1HB ASP 86 13.406 -10.573 2.543 638 HB3 ASP 86 2HB ASP 86 13.745 -10.609 0.824 639 HA PRO 87 HA PRO 87 13.551 -7.038 -2.073 640 HB2 PRO 87 1HB PRO 87 15.995 -7.170 -3.288 641 HB3 PRO 87 2HB PRO 87 15.472 -5.796 -2.335 642 HG2 PRO 87 1HG PRO 87 17.396 -7.923 -1.619 643 HG3 PRO 87 2HG PRO 87 17.180 -6.347 -0.885 644 HD2 PRO 87 1HD PRO 87 16.287 -8.864 0.160 645 HD3 PRO 87 2HD PRO 87 15.971 -7.278 0.834 646 H GLU 88 H GLU 88 15.392 -9.962 -1.592 647 HA GLU 88 HA GLU 88 14.357 -10.933 -4.112 648 HB2 GLU 88 1HB GLU 88 16.412 -12.038 -2.155 649 HB3 GLU 88 2HB GLU 88 15.863 -12.935 -3.556 650 HG2 GLU 88 1HG GLU 88 16.469 -10.631 -4.820 651 HG3 GLU 88 2HG GLU 88 17.529 -10.426 -3.439 652 H THR 89 H THR 89 12.668 -10.425 -1.641 653 HA THR 89 HA THR 89 11.301 -12.966 -1.697 654 HB THR 89 HB THR 89 12.169 -11.842 1.003 655 HG1 THR 89 HG1 THR 89 14.139 -12.586 0.297 656 HG21 THR 89 1HG2 THR 89 11.694 -14.747 0.283 657 HG22 THR 89 2HG2 THR 89 11.506 -13.939 1.858 658 HG23 THR 89 3HG2 THR 89 10.289 -13.696 0.581 659 H SER 90 H SER 90 9.110 -12.780 -1.340 660 HA SER 90 HA SER 90 8.250 -10.082 -0.645 661 HB2 SER 90 1HB SER 90 7.921 -11.380 -3.141 662 HB3 SER 90 2HB SER 90 6.351 -11.490 -2.370 663 HG SER 90 HG SER 90 6.051 -9.440 -2.870 664 H VAL 91 H VAL 91 6.711 -9.992 0.983 665 HA VAL 91 HA VAL 91 5.649 -12.580 1.867 666 HB VAL 91 HB VAL 91 5.812 -10.024 3.458 667 HG11 VAL 91 1HG1 VAL 91 4.912 -12.764 3.951 668 HG12 VAL 91 2HG1 VAL 91 6.113 -12.212 5.142 669 HG13 VAL 91 3HG1 VAL 91 4.620 -11.277 4.884 670 HG21 VAL 91 1HG2 VAL 91 7.906 -12.214 3.253 671 HG22 VAL 91 2HG2 VAL 91 8.076 -10.529 2.707 672 HG23 VAL 91 3HG2 VAL 91 7.909 -10.890 4.442 673 H ASN 92 H ASN 92 3.396 -12.565 2.732 674 HA ASN 92 HA ASN 92 1.771 -11.073 0.918 675 HB2 ASN 92 1HB ASN 92 -0.072 -12.459 1.798 676 HB3 ASN 92 2HB ASN 92 1.309 -13.487 1.471 677 HD21 ASN 92 1HD2 ASN 92 -1.034 -12.723 3.655 678 HD22 ASN 92 2HD2 ASN 92 -0.351 -13.354 5.116 679 H LEU 93 H LEU 93 0.528 -9.248 1.497 680 HA LEU 93 HA LEU 93 1.076 -8.005 3.979 681 HB2 LEU 93 1HB LEU 93 -0.730 -7.402 1.651 682 HB3 LEU 93 2HB LEU 93 -0.766 -6.428 3.108 683 HG LEU 93 HG LEU 93 1.727 -6.898 1.453 684 HD11 LEU 93 1HD1 LEU 93 0.306 -5.709 0.010 685 HD12 LEU 93 2HD1 LEU 93 -0.340 -4.702 1.328 686 HD13 LEU 93 3HD1 LEU 93 1.334 -4.469 0.768 687 HD21 LEU 93 1HD2 LEU 93 1.207 -5.614 4.025 688 HD22 LEU 93 2HD2 LEU 93 2.742 -6.115 3.277 689 HD23 LEU 93 3HD2 LEU 93 2.022 -4.540 2.863 690 H GLY 94 H GLY 94 -0.555 -7.358 5.607 691 HA2 GLY 94 1HA GLY 94 -2.881 -9.153 5.735 692 HA3 GLY 94 2HA GLY 94 -1.719 -9.162 7.047 693 H ASP 95 H ASP 95 -4.605 -8.325 7.025 694 HA ASP 95 HA ASP 95 -4.699 -5.535 7.104 695 HB2 ASP 95 1HB ASP 95 -6.796 -6.558 6.834 696 HB3 ASP 95 2HB ASP 95 -6.455 -7.811 8.011 697 H GLY 96 H GLY 96 -4.038 -4.158 8.773 698 HA2 GLY 96 1HA GLY 96 -3.919 -3.533 11.023 699 HA3 GLY 96 2HA GLY 96 -3.913 -5.217 11.507 700 H ASP 97 H ASP 97 -1.899 -4.967 8.801 701 HA ASP 97 HA ASP 97 0.382 -5.383 10.386 702 HB2 ASP 97 1HB ASP 97 0.520 -6.496 8.342 703 HB3 ASP 97 2HB ASP 97 -0.270 -5.203 7.462 704 H VAL 98 H VAL 98 2.376 -3.992 10.332 705 HA VAL 98 HA VAL 98 1.758 -1.191 9.695 706 HB VAL 98 HB VAL 98 2.897 -2.459 12.147 707 HG11 VAL 98 1HG1 VAL 98 3.935 0.006 10.844 708 HG12 VAL 98 2HG1 VAL 98 3.624 0.098 12.594 709 HG13 VAL 98 3HG1 VAL 98 4.735 -1.135 11.952 710 HG21 VAL 98 1HG2 VAL 98 0.790 -1.772 12.666 711 HG22 VAL 98 2HG2 VAL 98 1.630 -0.232 12.970 712 HG23 VAL 98 3HG2 VAL 98 0.780 -0.493 11.428 713 H ILE 99 H ILE 99 2.921 -0.673 7.913 714 HA ILE 99 HA ILE 99 5.484 -2.001 7.531 715 HB ILE 99 HB ILE 99 3.956 -0.193 5.659 716 HG12 ILE 99 1HG1 ILE 99 3.980 -3.208 5.534 717 HG13 ILE 99 2HG1 ILE 99 2.771 -2.347 6.466 718 HG21 ILE 99 1HG2 ILE 99 6.528 -0.737 5.439 719 HG22 ILE 99 2HG2 ILE 99 5.918 -2.276 4.786 720 HG23 ILE 99 3HG2 ILE 99 5.457 -0.738 4.018 721 HD11 ILE 99 1HD1 ILE 99 2.976 -1.044 3.905 722 HD12 ILE 99 2HD1 ILE 99 2.833 -2.797 3.629 723 HD13 ILE 99 3HD1 ILE 99 1.594 -1.941 4.579 724 H LYS 100 H LYS 100 7.209 -1.068 8.490 725 HA LYS 100 HA LYS 100 7.166 1.840 8.783 726 HB2 LYS 100 1HB LYS 100 8.285 -0.415 10.334 727 HB3 LYS 100 2HB LYS 100 9.343 0.974 10.191 728 HG2 LYS 100 1HG LYS 100 7.738 2.452 11.187 729 HG3 LYS 100 2HG LYS 100 6.419 1.324 10.945 730 HD2 LYS 100 1HD LYS 100 8.790 0.835 12.810 731 HD3 LYS 100 2HD LYS 100 7.223 1.420 13.333 732 HE2 LYS 100 1HE LYS 100 6.709 -0.902 11.742 733 HE3 LYS 100 2HE LYS 100 8.057 -1.316 12.783 734 HZ1 LYS 100 1HZ LYS 100 6.128 -1.759 13.983 735 HZ2 LYS 100 2HZ LYS 100 6.687 -0.365 14.625 736 HZ3 LYS 100 3HZ LYS 100 5.418 -0.340 13.597 737 H LEU 101 H LEU 101 7.963 2.854 7.007 738 HA LEU 101 HA LEU 101 10.502 1.803 5.972 739 HB2 LEU 101 1HB LEU 101 9.843 2.389 3.742 740 HB3 LEU 101 2HB LEU 101 8.696 1.260 4.436 741 HG LEU 101 HG LEU 101 8.032 4.156 4.664 742 HD11 LEU 101 1HD1 LEU 101 7.467 2.775 2.053 743 HD12 LEU 101 2HD1 LEU 101 7.421 4.509 2.455 744 HD13 LEU 101 3HD1 LEU 101 8.985 3.671 2.303 745 HD21 LEU 101 1HD2 LEU 101 6.707 1.617 4.900 746 HD22 LEU 101 2HD2 LEU 101 6.118 3.245 5.313 747 HD23 LEU 101 3HD2 LEU 101 5.892 2.608 3.666 748 H GLY 102 H GLY 102 11.790 3.563 4.810 749 HA2 GLY 102 1HA GLY 102 12.717 5.617 4.757 750 HA3 GLY 102 2HA GLY 102 11.207 6.291 5.337 751 H GLU 103 H GLU 103 11.766 7.603 7.045 752 HA GLU 103 HA GLU 103 13.662 6.512 8.952 753 HB2 GLU 103 1HB GLU 103 12.586 9.347 8.616 754 HB3 GLU 103 2HB GLU 103 13.772 8.866 9.812 755 HG2 GLU 103 1HG GLU 103 14.953 7.857 7.552 756 HG3 GLU 103 2HG GLU 103 14.087 9.212 6.856 757 H TYR 104 H TYR 104 10.647 8.557 9.072 758 HA TYR 104 HA TYR 104 9.768 6.871 11.315 759 HB2 TYR 104 1HB TYR 104 9.770 9.912 10.848 760 HB3 TYR 104 2HB TYR 104 8.765 9.181 12.084 761 HD1 TYR 104 HD2 TYR 104 12.254 9.855 11.054 762 HD2 TYR 104 HD1 TYR 104 9.701 8.411 14.169 763 HE1 TYR 104 HE2 TYR 104 14.192 9.953 12.697 764 HE2 TYR 104 HE1 TYR 104 11.648 8.514 15.802 765 HH TYR 104 HH TYR 104 14.842 8.876 14.777 766 H THR 105 H THR 105 8.970 6.180 8.786 767 HA THR 105 HA THR 105 6.256 7.320 8.629 768 HB THR 105 HB THR 105 8.218 6.386 6.480 769 HG1 THR 105 HG1 THR 105 8.155 8.638 7.380 770 HG21 THR 105 1HG2 THR 105 5.971 7.459 5.210 771 HG22 THR 105 2HG2 THR 105 6.377 5.726 5.270 772 HG23 THR 105 3HG2 THR 105 5.251 6.418 6.462 773 H SER 106 H SER 106 4.644 5.991 9.147 774 HA SER 106 HA SER 106 5.214 3.144 8.868 775 HB2 SER 106 1HB SER 106 3.480 4.440 11.016 776 HB3 SER 106 2HB SER 106 3.840 2.731 10.873 777 HG SER 106 HG SER 106 6.138 4.328 10.932 778 H ILE 107 H ILE 107 3.648 1.930 7.780 779 HA ILE 107 HA ILE 107 1.188 3.379 7.085 780 HB ILE 107 HB ILE 107 2.718 1.448 5.340 781 HG12 ILE 107 1HG1 ILE 107 2.562 4.471 5.152 782 HG13 ILE 107 2HG1 ILE 107 3.955 3.565 5.710 783 HG21 ILE 107 1HG2 ILE 107 1.020 2.937 3.753 784 HG22 ILE 107 2HG2 ILE 107 0.751 1.266 4.304 785 HG23 ILE 107 3HG2 ILE 107 0.046 2.627 5.210 786 HD11 ILE 107 1HD1 ILE 107 3.786 2.285 3.432 787 HD12 ILE 107 2HD1 ILE 107 2.747 3.640 2.928 788 HD13 ILE 107 3HD1 ILE 107 4.429 3.945 3.422 789 H LEU 108 H LEU 108 -0.738 2.301 7.384 790 HA LEU 108 HA LEU 108 -0.469 -0.348 8.602 791 HB2 LEU 108 1HB LEU 108 -1.519 0.908 10.173 792 HB3 LEU 108 2HB LEU 108 -2.269 1.974 9.002 793 HG LEU 108 HG LEU 108 -3.873 0.147 8.422 794 HD11 LEU 108 1HD1 LEU 108 -3.821 -1.510 10.645 795 HD12 LEU 108 2HD1 LEU 108 -3.317 -1.932 8.991 796 HD13 LEU 108 3HD1 LEU 108 -2.110 -1.374 10.174 797 HD21 LEU 108 1HD2 LEU 108 -4.277 1.997 10.126 798 HD22 LEU 108 2HD2 LEU 108 -5.324 0.561 10.228 799 HD23 LEU 108 3HD2 LEU 108 -3.978 0.765 11.375 800 H VAL 109 H VAL 109 -1.717 -2.111 7.867 801 HA VAL 109 HA VAL 109 -2.768 -1.697 5.162 802 HB VAL 109 HB VAL 109 -1.715 -4.141 6.594 803 HG11 VAL 109 1HG1 VAL 109 -2.239 -4.336 3.699 804 HG12 VAL 109 2HG1 VAL 109 -2.543 -5.506 5.005 805 HG13 VAL 109 3HG1 VAL 109 -3.701 -4.189 4.703 806 HG21 VAL 109 1HG2 VAL 109 -0.597 -2.211 4.615 807 HG22 VAL 109 2HG2 VAL 109 0.206 -3.107 5.927 808 HG23 VAL 109 3HG2 VAL 109 -0.190 -3.930 4.399 809 H ASN 110 H ASN 110 -4.936 -1.703 4.888 810 HA ASN 110 HA ASN 110 -6.469 -3.156 6.896 811 HB2 ASN 110 1HB ASN 110 -6.564 -0.320 6.193 812 HB3 ASN 110 2HB ASN 110 -8.104 -1.063 5.809 813 HD21 ASN 110 1HD2 ASN 110 -5.727 -1.842 8.331 814 HD22 ASN 110 2HD2 ASN 110 -6.759 -1.588 9.699 815 H PHE 111 H PHE 111 -7.898 -4.642 5.947 816 HA PHE 111 HA PHE 111 -8.079 -4.596 3.048 817 HB2 PHE 111 1HB PHE 111 -8.758 -6.544 5.321 818 HB3 PHE 111 2HB PHE 111 -9.223 -6.891 3.668 819 HD1 PHE 111 HD1 PHE 111 -6.792 -5.874 2.240 820 HD2 PHE 111 HD2 PHE 111 -7.180 -8.213 5.759 821 HE1 PHE 111 HE1 PHE 111 -4.534 -6.884 1.817 822 HE2 PHE 111 HE2 PHE 111 -4.921 -9.224 5.336 823 HZ PHE 111 HZ PHE 111 -3.625 -8.547 3.370 824 H VAL 112 H VAL 112 -9.710 -3.333 2.248 825 HA VAL 112 HA VAL 112 -12.201 -3.218 3.759 826 HB VAL 112 HB VAL 112 -11.293 -1.657 1.333 827 HG11 VAL 112 1HG1 VAL 112 -13.193 -0.289 2.997 828 HG12 VAL 112 2HG1 VAL 112 -13.341 -0.778 1.292 829 HG13 VAL 112 3HG1 VAL 112 -13.832 -1.898 2.585 830 HG21 VAL 112 1HG2 VAL 112 -11.312 -0.658 4.188 831 HG22 VAL 112 2HG2 VAL 112 -9.877 -1.411 3.452 832 HG23 VAL 112 3HG2 VAL 112 -10.557 0.079 2.755 833 H SER 113 H SER 113 -13.986 -4.353 3.169 834 HA SER 113 HA SER 113 -13.852 -5.608 0.540 835 HB2 SER 113 1HB SER 113 -13.743 -7.297 2.275 836 HB3 SER 113 2HB SER 113 -15.078 -6.577 3.153 837 HG SER 113 HG SER 113 -15.706 -7.245 0.499 838 H GLY 114 H GLY 114 -15.989 -4.135 3.060 839 HA2 GLY 114 1HA GLY 114 -17.861 -3.392 0.896 840 HA3 GLY 114 2HA GLY 114 -18.422 -4.038 2.426 841 HA PRO 115 HA PRO 115 -18.107 0.487 2.873 842 HB2 PRO 115 1HB PRO 115 -20.722 1.006 3.476 843 HB3 PRO 115 2HB PRO 115 -20.067 1.140 1.856 844 HG2 PRO 115 1HG PRO 115 -21.800 -0.972 2.985 845 HG3 PRO 115 2HG PRO 115 -21.488 -0.589 1.303 846 HD2 PRO 115 1HD PRO 115 -20.384 -2.773 2.800 847 HD3 PRO 115 2HD PRO 115 -19.984 -2.322 1.154 848 H SER 116 H SER 116 -18.027 1.810 4.748 849 HA SER 116 HA SER 116 -18.982 0.549 7.128 850 HB2 SER 116 1HB SER 116 -16.785 -0.547 6.855 851 HB3 SER 116 2HB SER 116 -15.999 1.010 6.690 852 HG SER 116 HG SER 116 -16.589 -0.353 8.969 853 H SER 117 H SER 117 -18.510 2.048 9.096 854 HA SER 117 HA SER 117 -18.839 4.000 9.998 855 HB2 SER 117 1HB SER 117 -16.363 4.089 9.102 856 HB3 SER 117 2HB SER 117 -16.985 5.265 7.961 857 HG SER 117 HG SER 117 -17.436 6.698 9.591 858 H GLY 118 H GLY 118 -21.061 4.298 9.402 859 HA2 GLY 118 1HA GLY 118 -21.481 6.086 7.081 860 HA3 GLY 118 2HA GLY 118 -22.617 4.861 7.610 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -25.123 -9.957 -21.894 2 HA2 GLY 1 1HA GLY 1 -23.607 -9.695 -20.006 3 HA3 GLY 1 2HA GLY 1 -25.156 -10.326 -19.484 4 H SER 2 H SER 2 -23.547 -11.001 -17.640 5 HA SER 2 HA SER 2 -22.950 -13.768 -18.153 6 HB2 SER 2 1HB SER 2 -20.870 -11.988 -18.370 7 HB3 SER 2 2HB SER 2 -20.792 -12.350 -16.657 8 HG SER 2 HG SER 2 -19.508 -13.801 -18.054 9 H SER 3 H SER 3 -24.854 -13.983 -16.740 10 HA SER 3 HA SER 3 -25.830 -14.337 -14.835 11 HB2 SER 3 1HB SER 3 -23.542 -15.440 -14.350 12 HB3 SER 3 2HB SER 3 -23.160 -14.009 -13.412 13 HG SER 3 HG SER 3 -25.107 -16.044 -12.905 14 H GLY 4 H GLY 4 -26.632 -13.250 -12.819 15 HA2 GLY 4 1HA GLY 4 -26.419 -10.368 -13.087 16 HA3 GLY 4 2HA GLY 4 -27.530 -11.274 -12.080 17 H SER 5 H SER 5 -26.395 -9.106 -10.899 18 HA SER 5 HA SER 5 -25.287 -8.442 -9.156 19 HB2 SER 5 1HB SER 5 -24.860 -11.403 -8.554 20 HB3 SER 5 2HB SER 5 -24.612 -10.097 -7.413 21 HG SER 5 HG SER 5 -26.681 -10.308 -6.932 22 H SER 6 H SER 6 -23.043 -8.184 -8.211 23 HA SER 6 HA SER 6 -21.115 -8.905 -10.256 24 HB2 SER 6 1HB SER 6 -21.651 -6.496 -8.871 25 HB3 SER 6 2HB SER 6 -20.141 -7.070 -8.192 26 HG SER 6 HG SER 6 -19.337 -7.289 -10.428 27 H GLY 7 H GLY 7 -18.826 -9.424 -9.433 28 HA2 GLY 7 1HA GLY 7 -18.900 -10.779 -6.811 29 HA3 GLY 7 2HA GLY 7 -18.354 -11.623 -8.247 30 H MET 8 H MET 8 -17.673 -8.921 -6.001 31 HA MET 8 HA MET 8 -15.103 -8.531 -7.262 32 HB2 MET 8 1HB MET 8 -16.953 -6.845 -5.978 33 HB3 MET 8 2HB MET 8 -15.717 -7.052 -4.752 34 HG2 MET 8 1HG MET 8 -14.007 -6.122 -6.132 35 HG3 MET 8 2HG MET 8 -14.920 -6.383 -7.605 36 HE1 MET 8 1HE MET 8 -13.663 -3.344 -6.950 37 HE2 MET 8 2HE MET 8 -14.496 -2.591 -5.568 38 HE3 MET 8 3HE MET 8 -13.602 -4.114 -5.346 39 H VAL 9 H VAL 9 -13.733 -10.228 -6.713 40 HA VAL 9 HA VAL 9 -13.713 -11.165 -3.976 41 HB VAL 9 HB VAL 9 -12.087 -12.790 -4.846 42 HG11 VAL 9 1HG1 VAL 9 -14.686 -12.454 -6.366 43 HG12 VAL 9 2HG1 VAL 9 -13.657 -13.899 -6.506 44 HG13 VAL 9 3HG1 VAL 9 -14.368 -13.462 -4.934 45 HG21 VAL 9 1HG2 VAL 9 -10.896 -12.389 -6.686 46 HG22 VAL 9 2HG2 VAL 9 -12.386 -12.395 -7.660 47 HG23 VAL 9 3HG2 VAL 9 -11.796 -10.875 -6.946 48 H THR 10 H THR 10 -11.393 -11.517 -3.001 49 HA THR 10 HA THR 10 -9.575 -10.592 -2.118 50 HB THR 10 HB THR 10 -9.383 -9.073 -4.772 51 HG1 THR 10 HG1 THR 10 -8.318 -11.655 -3.884 52 HG21 THR 10 1HG2 THR 10 -7.177 -10.209 -2.987 53 HG22 THR 10 2HG2 THR 10 -6.990 -9.130 -4.390 54 HG23 THR 10 3HG2 THR 10 -7.708 -8.514 -2.882 55 HA PRO 11 HA PRO 11 -11.185 -7.007 -0.329 56 HB2 PRO 11 1HB PRO 11 -9.413 -6.789 1.740 57 HB3 PRO 11 2HB PRO 11 -10.825 -7.825 1.793 58 HG2 PRO 11 1HG PRO 11 -7.988 -8.575 1.431 59 HG3 PRO 11 2HG PRO 11 -9.339 -9.585 1.907 60 HD2 PRO 11 1HD PRO 11 -8.096 -9.487 -0.676 61 HD3 PRO 11 2HD PRO 11 -9.518 -10.410 -0.232 62 H SER 12 H SER 12 -10.904 -4.762 -0.200 63 HA SER 12 HA SER 12 -8.977 -3.900 -2.051 64 HB2 SER 12 1HB SER 12 -11.282 -2.822 -0.695 65 HB3 SER 12 2HB SER 12 -9.956 -1.698 -0.475 66 HG SER 12 HG SER 12 -10.232 -2.735 -3.091 67 H LEU 13 H LEU 13 -7.107 -2.522 -1.677 68 HA LEU 13 HA LEU 13 -5.902 -3.039 0.918 69 HB2 LEU 13 1HB LEU 13 -4.704 -3.619 -1.147 70 HB3 LEU 13 2HB LEU 13 -4.736 -1.938 -1.643 71 HG LEU 13 HG LEU 13 -3.380 -1.346 0.359 72 HD11 LEU 13 1HD1 LEU 13 -4.115 -3.907 1.245 73 HD12 LEU 13 2HD1 LEU 13 -2.364 -3.986 0.936 74 HD13 LEU 13 3HD1 LEU 13 -3.019 -2.750 2.038 75 HD21 LEU 13 1HD2 LEU 13 -1.986 -1.444 -1.428 76 HD22 LEU 13 2HD2 LEU 13 -1.310 -2.805 -0.500 77 HD23 LEU 13 3HD2 LEU 13 -2.440 -3.115 -1.840 78 H ARG 14 H ARG 14 -5.952 -1.561 2.518 79 HA ARG 14 HA ARG 14 -6.358 1.196 1.670 80 HB2 ARG 14 1HB ARG 14 -8.302 0.146 2.920 81 HB3 ARG 14 2HB ARG 14 -7.248 -0.093 4.299 82 HG2 ARG 14 1HG ARG 14 -6.779 2.529 3.980 83 HG3 ARG 14 2HG ARG 14 -8.327 2.488 3.159 84 HD2 ARG 14 1HD ARG 14 -7.703 1.896 6.060 85 HD3 ARG 14 2HD ARG 14 -8.958 2.922 5.392 86 HE ARG 14 HE ARG 14 -9.501 0.282 4.505 87 HH11 ARG 14 1HH1 ARG 14 -9.365 2.056 7.541 88 HH12 ARG 14 2HH1 ARG 14 -10.536 1.051 8.328 89 HH21 ARG 14 1HH2 ARG 14 -11.046 -1.044 5.543 90 HH22 ARG 14 2HH2 ARG 14 -11.498 -0.724 7.184 91 H LEU 15 H LEU 15 -4.277 2.065 1.780 92 HA LEU 15 HA LEU 15 -2.547 1.271 3.957 93 HB2 LEU 15 1HB LEU 15 -2.182 3.034 1.536 94 HB3 LEU 15 2HB LEU 15 -0.952 2.826 2.767 95 HG LEU 15 HG LEU 15 -2.135 0.519 1.205 96 HD11 LEU 15 1HD1 LEU 15 -0.626 2.537 0.090 97 HD12 LEU 15 2HD1 LEU 15 0.595 1.311 0.508 98 HD13 LEU 15 3HD1 LEU 15 -0.782 0.877 -0.534 99 HD21 LEU 15 1HD2 LEU 15 -0.870 0.304 3.514 100 HD22 LEU 15 2HD2 LEU 15 -0.581 -0.844 2.184 101 HD23 LEU 15 3HD2 LEU 15 0.568 0.483 2.480 102 H VAL 16 H VAL 16 -2.888 2.173 5.918 103 HA VAL 16 HA VAL 16 -3.836 4.940 5.969 104 HB VAL 16 HB VAL 16 -3.794 2.758 8.062 105 HG11 VAL 16 1HG1 VAL 16 -5.016 5.531 8.259 106 HG12 VAL 16 2HG1 VAL 16 -5.011 4.266 9.512 107 HG13 VAL 16 3HG1 VAL 16 -3.484 5.039 9.021 108 HG21 VAL 16 1HG2 VAL 16 -6.401 3.816 7.407 109 HG22 VAL 16 2HG2 VAL 16 -5.581 3.252 5.932 110 HG23 VAL 16 3HG2 VAL 16 -5.801 2.143 7.307 111 H PHE 17 H PHE 17 -2.491 6.576 6.554 112 HA PHE 17 HA PHE 17 0.227 5.877 7.188 113 HB2 PHE 17 1HB PHE 17 -1.438 8.372 6.605 114 HB3 PHE 17 2HB PHE 17 0.180 8.567 7.251 115 HD1 PHE 17 HD1 PHE 17 2.130 7.644 5.942 116 HD2 PHE 17 HD2 PHE 17 -1.783 7.893 4.318 117 HE1 PHE 17 HE1 PHE 17 3.078 7.443 3.626 118 HE2 PHE 17 HE2 PHE 17 -0.835 7.691 2.002 119 HZ PHE 17 HZ PHE 17 1.584 7.469 1.684 120 H VAL 18 H VAL 18 0.168 4.987 9.311 121 HA VAL 18 HA VAL 18 -1.130 6.421 11.413 122 HB VAL 18 HB VAL 18 0.119 4.697 12.807 123 HG11 VAL 18 1HG1 VAL 18 -1.852 3.670 12.654 124 HG12 VAL 18 2HG1 VAL 18 -2.169 4.479 11.100 125 HG13 VAL 18 3HG1 VAL 18 -1.335 2.906 11.131 126 HG21 VAL 18 1HG2 VAL 18 1.628 3.317 11.900 127 HG22 VAL 18 2HG2 VAL 18 0.556 2.926 10.534 128 HG23 VAL 18 3HG2 VAL 18 1.598 4.367 10.463 129 H LYS 19 H LYS 19 2.092 6.295 9.928 130 HA LYS 19 HA LYS 19 2.877 8.454 11.734 131 HB2 LYS 19 1HB LYS 19 4.558 6.007 11.113 132 HB3 LYS 19 2HB LYS 19 5.153 7.452 11.905 133 HG2 LYS 19 1HG LYS 19 2.889 6.898 13.409 134 HG3 LYS 19 2HG LYS 19 3.421 5.285 12.978 135 HD2 LYS 19 1HD LYS 19 5.696 5.775 13.859 136 HD3 LYS 19 2HD LYS 19 5.211 7.415 14.241 137 HE2 LYS 19 1HE LYS 19 3.513 5.202 15.370 138 HE3 LYS 19 2HE LYS 19 5.112 5.402 16.059 139 HZ1 LYS 19 1HZ LYS 19 3.445 6.738 17.171 140 HZ2 LYS 19 2HZ LYS 19 4.598 7.685 16.506 141 HZ3 LYS 19 3HZ LYS 19 3.134 7.559 15.794 142 H GLY 20 H GLY 20 5.283 9.165 10.726 143 HA2 GLY 20 1HA GLY 20 6.440 9.787 8.833 144 HA3 GLY 20 2HA GLY 20 5.155 9.165 7.816 145 HA PRO 21 HA PRO 21 4.712 13.703 8.015 146 HB2 PRO 21 1HB PRO 21 5.041 14.257 5.359 147 HB3 PRO 21 2HB PRO 21 6.343 14.357 6.527 148 HG2 PRO 21 1HG PRO 21 5.843 12.281 4.483 149 HG3 PRO 21 2HG PRO 21 7.323 12.631 5.352 150 HD2 PRO 21 1HD PRO 21 5.511 10.464 5.851 151 HD3 PRO 21 2HD PRO 21 6.929 10.882 6.792 152 H ARG 22 H ARG 22 3.280 11.131 6.342 153 HA ARG 22 HA ARG 22 1.034 12.819 5.663 154 HB2 ARG 22 1HB ARG 22 2.096 10.184 4.737 155 HB3 ARG 22 2HB ARG 22 0.347 10.276 4.811 156 HG2 ARG 22 1HG ARG 22 0.212 11.790 3.081 157 HG3 ARG 22 2HG ARG 22 1.642 12.665 3.593 158 HD2 ARG 22 1HD ARG 22 2.967 11.522 2.136 159 HD3 ARG 22 2HD ARG 22 2.374 9.974 2.704 160 HE ARG 22 HE ARG 22 0.760 9.953 0.974 161 HH11 ARG 22 1HH1 ARG 22 2.364 13.082 1.122 162 HH12 ARG 22 2HH1 ARG 22 1.727 13.624 -0.395 163 HH21 ARG 22 1HH2 ARG 22 -0.081 10.667 -1.027 164 HH22 ARG 22 2HH2 ARG 22 0.326 12.241 -1.626 165 H GLU 23 H GLU 23 2.100 11.341 8.375 166 HA GLU 23 HA GLU 23 0.382 9.519 9.250 167 HB2 GLU 23 1HB GLU 23 2.186 10.294 10.653 168 HB3 GLU 23 2HB GLU 23 1.535 11.920 10.720 169 HG2 GLU 23 1HG GLU 23 -0.403 9.885 11.643 170 HG3 GLU 23 2HG GLU 23 1.072 9.886 12.591 171 H GLY 24 H GLY 24 -1.814 9.347 9.241 172 HA2 GLY 24 1HA GLY 24 -3.854 10.173 10.221 173 HA3 GLY 24 2HA GLY 24 -3.374 11.800 9.782 174 H ASP 25 H ASP 25 -2.270 10.008 7.223 175 HA ASP 25 HA ASP 25 -4.684 10.608 5.744 176 HB2 ASP 25 1HB ASP 25 -1.793 10.064 4.971 177 HB3 ASP 25 2HB ASP 25 -3.061 10.042 3.762 178 H ALA 26 H ALA 26 -5.371 8.946 4.038 179 HA ALA 26 HA ALA 26 -4.368 6.274 4.341 180 HB1 ALA 26 1HB ALA 26 -7.295 6.666 4.975 181 HB2 ALA 26 2HB ALA 26 -6.243 5.273 5.326 182 HB3 ALA 26 3HB ALA 26 -6.073 6.776 6.264 183 H LEU 27 H LEU 27 -4.706 5.111 2.457 184 HA LEU 27 HA LEU 27 -6.494 6.387 0.506 185 HB2 LEU 27 1HB LEU 27 -3.862 5.024 -0.074 186 HB3 LEU 27 2HB LEU 27 -4.935 5.771 -1.241 187 HG LEU 27 HG LEU 27 -4.002 7.538 0.953 188 HD11 LEU 27 1HD1 LEU 27 -1.955 6.315 0.601 189 HD12 LEU 27 2HD1 LEU 27 -2.100 6.498 -1.164 190 HD13 LEU 27 3HD1 LEU 27 -1.810 7.926 -0.142 191 HD21 LEU 27 1HD2 LEU 27 -4.923 7.725 -1.821 192 HD22 LEU 27 2HD2 LEU 27 -5.005 8.910 -0.495 193 HD23 LEU 27 3HD2 LEU 27 -3.521 8.763 -1.466 194 H ASP 28 H ASP 28 -7.095 4.736 -1.304 195 HA ASP 28 HA ASP 28 -7.216 2.058 -0.237 196 HB2 ASP 28 1HB ASP 28 -9.304 3.294 0.497 197 HB3 ASP 28 2HB ASP 28 -9.685 3.585 -1.188 198 H TYR 29 H TYR 29 -7.328 0.486 -1.958 199 HA TYR 29 HA TYR 29 -7.746 1.515 -4.659 200 HB2 TYR 29 1HB TYR 29 -5.366 -0.103 -3.554 201 HB3 TYR 29 2HB TYR 29 -5.621 0.183 -5.264 202 HD1 TYR 29 HD1 TYR 29 -5.288 2.432 -6.230 203 HD2 TYR 29 HD2 TYR 29 -4.520 1.648 -2.095 204 HE1 TYR 29 HE1 TYR 29 -3.973 4.601 -6.055 205 HE2 TYR 29 HE2 TYR 29 -3.208 3.820 -1.934 206 HH TYR 29 HH TYR 29 -1.859 5.256 -3.897 207 H LYS 30 H LYS 30 -7.958 -0.312 -6.273 208 HA LYS 30 HA LYS 30 -9.572 -2.369 -5.065 209 HB2 LYS 30 1HB LYS 30 -10.451 -2.708 -7.174 210 HB3 LYS 30 2HB LYS 30 -10.050 -1.003 -7.222 211 HG2 LYS 30 1HG LYS 30 -7.949 -1.473 -8.414 212 HG3 LYS 30 2HG LYS 30 -8.187 -3.200 -8.238 213 HD2 LYS 30 1HD LYS 30 -9.539 -3.286 -10.064 214 HD3 LYS 30 2HD LYS 30 -10.547 -1.987 -9.460 215 HE2 LYS 30 1HE LYS 30 -7.972 -0.915 -10.322 216 HE3 LYS 30 2HE LYS 30 -8.677 -1.871 -11.611 217 HZ1 LYS 30 1HZ LYS 30 -10.633 -0.581 -11.510 218 HZ2 LYS 30 2HZ LYS 30 -10.168 0.191 -10.148 219 HZ3 LYS 30 3HZ LYS 30 -9.385 0.472 -11.553 220 HA PRO 31 HA PRO 31 -6.640 -5.529 -5.236 221 HB2 PRO 31 1HB PRO 31 -8.109 -7.745 -5.868 222 HB3 PRO 31 2HB PRO 31 -8.065 -7.051 -4.260 223 HG2 PRO 31 1HG PRO 31 -10.215 -6.906 -6.283 224 HG3 PRO 31 2HG PRO 31 -10.307 -6.601 -4.560 225 HD2 PRO 31 1HD PRO 31 -10.248 -4.636 -6.649 226 HD3 PRO 31 2HD PRO 31 -10.223 -4.332 -4.924 227 H GLY 32 H GLY 32 -4.956 -6.004 -6.500 228 HA2 GLY 32 1HA GLY 32 -4.117 -7.058 -8.426 229 HA3 GLY 32 2HA GLY 32 -5.614 -6.723 -9.274 230 H SER 33 H SER 33 -4.679 -4.026 -7.359 231 HA SER 33 HA SER 33 -3.609 -2.775 -9.761 232 HB2 SER 33 1HB SER 33 -5.462 -1.902 -7.625 233 HB3 SER 33 2HB SER 33 -4.219 -0.719 -7.980 234 HG SER 33 HG SER 33 -4.833 -0.838 -10.248 235 H THR 34 H THR 34 -1.381 -2.807 -9.692 236 HA THR 34 HA THR 34 0.096 -3.021 -7.317 237 HB THR 34 HB THR 34 0.825 -2.117 -10.153 238 HG1 THR 34 HG1 THR 34 0.815 -4.577 -8.557 239 HG21 THR 34 1HG2 THR 34 3.118 -2.819 -9.571 240 HG22 THR 34 2HG2 THR 34 2.609 -1.538 -8.446 241 HG23 THR 34 3HG2 THR 34 2.600 -3.238 -7.921 242 H ILE 35 H ILE 35 0.527 -1.608 -5.753 243 HA ILE 35 HA ILE 35 0.210 1.227 -6.436 244 HB ILE 35 HB ILE 35 -0.067 -0.240 -3.812 245 HG12 ILE 35 1HG1 ILE 35 -2.339 1.339 -4.633 246 HG13 ILE 35 2HG1 ILE 35 -1.901 0.230 -5.917 247 HG21 ILE 35 1HG2 ILE 35 0.401 2.604 -4.404 248 HG22 ILE 35 2HG2 ILE 35 -1.005 2.286 -3.360 249 HG23 ILE 35 3HG2 ILE 35 0.605 1.689 -2.891 250 HD11 ILE 35 1HD1 ILE 35 -2.713 -0.395 -3.070 251 HD12 ILE 35 2HD1 ILE 35 -3.324 -1.090 -4.591 252 HD13 ILE 35 3HD1 ILE 35 -1.718 -1.556 -3.981 253 H ARG 36 H ARG 36 2.249 1.754 -7.219 254 HA ARG 36 HA ARG 36 4.550 0.794 -5.901 255 HB2 ARG 36 1HB ARG 36 4.070 2.890 -8.065 256 HB3 ARG 36 2HB ARG 36 5.677 2.579 -7.440 257 HG2 ARG 36 1HG ARG 36 5.633 0.278 -8.187 258 HG3 ARG 36 2HG ARG 36 3.910 0.335 -8.499 259 HD2 ARG 36 1HD ARG 36 4.594 0.706 -10.668 260 HD3 ARG 36 2HD ARG 36 4.700 2.371 -10.131 261 HE ARG 36 HE ARG 36 7.174 1.246 -9.452 262 HH11 ARG 36 1HH1 ARG 36 5.322 1.677 -12.413 263 HH12 ARG 36 2HH1 ARG 36 6.724 1.768 -13.427 264 HH21 ARG 36 1HH2 ARG 36 9.023 1.364 -10.789 265 HH22 ARG 36 2HH2 ARG 36 8.843 1.588 -12.497 266 H VAL 37 H VAL 37 5.218 1.569 -3.922 267 HA VAL 37 HA VAL 37 4.497 4.315 -3.235 268 HB VAL 37 HB VAL 37 5.552 2.059 -1.520 269 HG11 VAL 37 1HG1 VAL 37 5.890 4.511 -0.792 270 HG12 VAL 37 2HG1 VAL 37 4.126 4.542 -0.560 271 HG13 VAL 37 3HG1 VAL 37 5.124 3.394 0.364 272 HG21 VAL 37 1HG2 VAL 37 2.721 3.004 -2.052 273 HG22 VAL 37 2HG2 VAL 37 3.408 1.387 -2.337 274 HG23 VAL 37 3HG2 VAL 37 3.175 1.974 -0.673 275 H GLY 38 H GLY 38 5.983 5.904 -3.424 276 HA2 GLY 38 1HA GLY 38 8.814 5.210 -3.044 277 HA3 GLY 38 2HA GLY 38 8.321 5.982 -4.538 278 H ARG 39 H ARG 39 9.654 7.848 -4.005 279 HA ARG 39 HA ARG 39 8.583 9.387 -1.785 280 HB2 ARG 39 1HB ARG 39 10.960 9.081 -1.520 281 HB3 ARG 39 2HB ARG 39 11.275 9.409 -3.212 282 HG2 ARG 39 1HG ARG 39 10.746 11.765 -2.950 283 HG3 ARG 39 2HG ARG 39 10.076 11.506 -1.352 284 HD2 ARG 39 1HD ARG 39 12.124 11.715 -0.383 285 HD3 ARG 39 2HD ARG 39 12.806 10.486 -1.430 286 HE ARG 39 HE ARG 39 12.431 12.991 -2.853 287 HH11 ARG 39 1HH1 ARG 39 14.561 11.323 -0.602 288 HH12 ARG 39 2HH1 ARG 39 15.957 12.252 -1.036 289 HH21 ARG 39 1HH2 ARG 39 14.273 14.216 -3.426 290 HH22 ARG 39 2HH2 ARG 39 15.792 13.908 -2.654 291 H ILE 40 H ILE 40 9.230 9.296 -5.286 292 HA ILE 40 HA ILE 40 8.282 12.044 -5.558 293 HB ILE 40 HB ILE 40 9.014 11.755 -7.919 294 HG12 ILE 40 1HG1 ILE 40 10.240 9.161 -6.942 295 HG13 ILE 40 2HG1 ILE 40 8.807 9.260 -7.947 296 HG21 ILE 40 1HG2 ILE 40 11.557 11.453 -7.121 297 HG22 ILE 40 2HG2 ILE 40 10.606 12.927 -6.818 298 HG23 ILE 40 3HG2 ILE 40 10.785 11.706 -5.536 299 HD11 ILE 40 1HD1 ILE 40 10.576 8.955 -9.501 300 HD12 ILE 40 2HD1 ILE 40 10.259 10.705 -9.562 301 HD13 ILE 40 3HD1 ILE 40 11.647 10.083 -8.637 302 H VAL 41 H VAL 41 6.374 12.575 -6.639 303 HA VAL 41 HA VAL 41 4.333 10.659 -6.527 304 HB VAL 41 HB VAL 41 3.045 12.428 -7.757 305 HG11 VAL 41 1HG1 VAL 41 2.648 12.877 -5.594 306 HG12 VAL 41 2HG1 VAL 41 4.349 12.620 -5.135 307 HG13 VAL 41 3HG1 VAL 41 3.829 14.195 -5.782 308 HG21 VAL 41 1HG2 VAL 41 4.728 14.648 -7.486 309 HG22 VAL 41 2HG2 VAL 41 5.737 13.404 -8.262 310 HG23 VAL 41 3HG2 VAL 41 4.192 13.886 -9.003 311 H ARG 42 H ARG 42 6.470 11.843 -9.157 312 HA ARG 42 HA ARG 42 5.022 10.502 -11.157 313 HB2 ARG 42 1HB ARG 42 7.763 11.802 -10.988 314 HB3 ARG 42 2HB ARG 42 7.330 10.882 -12.415 315 HG2 ARG 42 1HG ARG 42 6.400 12.828 -13.163 316 HG3 ARG 42 2HG ARG 42 5.068 12.437 -12.094 317 HD2 ARG 42 1HD ARG 42 5.583 14.132 -10.644 318 HD3 ARG 42 2HD ARG 42 7.292 13.743 -10.656 319 HE ARG 42 HE ARG 42 6.040 15.823 -12.176 320 HH11 ARG 42 1HH1 ARG 42 8.493 13.325 -12.525 321 HH12 ARG 42 2HH1 ARG 42 9.381 14.186 -13.737 322 HH21 ARG 42 1HH2 ARG 42 7.211 16.961 -13.775 323 HH22 ARG 42 2HH2 ARG 42 8.647 16.269 -14.453 324 H GLY 43 H GLY 43 5.287 8.404 -11.978 325 HA2 GLY 43 1HA GLY 43 6.460 6.446 -12.399 326 HA3 GLY 43 2HA GLY 43 7.632 6.858 -11.163 327 H ASN 44 H ASN 44 6.554 7.101 -8.818 328 HA ASN 44 HA ASN 44 5.233 4.585 -8.422 329 HB2 ASN 44 1HB ASN 44 5.927 6.579 -6.228 330 HB3 ASN 44 2HB ASN 44 5.843 4.833 -6.112 331 HD21 ASN 44 1HD2 ASN 44 7.667 7.574 -7.287 332 HD22 ASN 44 2HD2 ASN 44 9.190 6.780 -7.515 333 H GLU 45 H GLU 45 3.157 4.415 -7.268 334 HA GLU 45 HA GLU 45 1.362 6.443 -7.945 335 HB2 GLU 45 1HB GLU 45 1.116 3.995 -6.151 336 HB3 GLU 45 2HB GLU 45 -0.242 5.045 -6.507 337 HG2 GLU 45 1HG GLU 45 1.383 3.382 -8.475 338 HG3 GLU 45 2HG GLU 45 -0.322 3.229 -8.102 339 H ILE 46 H ILE 46 2.326 5.191 -4.660 340 HA ILE 46 HA ILE 46 1.426 7.713 -3.527 341 HB ILE 46 HB ILE 46 2.288 5.099 -2.287 342 HG12 ILE 46 1HG1 ILE 46 -0.453 6.385 -2.457 343 HG13 ILE 46 2HG1 ILE 46 0.111 5.104 -3.511 344 HG21 ILE 46 1HG2 ILE 46 1.979 7.768 -1.126 345 HG22 ILE 46 2HG2 ILE 46 0.969 6.533 -0.337 346 HG23 ILE 46 3HG2 ILE 46 2.729 6.299 -0.457 347 HD11 ILE 46 1HD1 ILE 46 -0.297 4.977 -0.496 348 HD12 ILE 46 2HD1 ILE 46 -1.125 4.027 -1.753 349 HD13 ILE 46 3HD1 ILE 46 0.593 3.726 -1.396 350 H ALA 47 H ALA 47 2.775 9.300 -2.792 351 HA ALA 47 HA ALA 47 5.639 8.641 -2.751 352 HB1 ALA 47 1HB ALA 47 6.009 10.155 -4.367 353 HB2 ALA 47 2HB ALA 47 4.252 10.384 -4.532 354 HB3 ALA 47 3HB ALA 47 5.181 11.409 -3.412 355 H ILE 48 H ILE 48 6.710 9.261 -0.910 356 HA ILE 48 HA ILE 48 5.156 10.913 0.959 357 HB ILE 48 HB ILE 48 6.962 8.550 1.407 358 HG12 ILE 48 1HG1 ILE 48 4.347 8.883 2.777 359 HG13 ILE 48 2HG1 ILE 48 4.281 8.640 1.042 360 HG21 ILE 48 1HG2 ILE 48 6.405 10.845 3.212 361 HG22 ILE 48 2HG2 ILE 48 6.312 9.214 3.919 362 HG23 ILE 48 3HG2 ILE 48 7.811 9.756 3.127 363 HD11 ILE 48 1HD1 ILE 48 4.216 6.482 2.294 364 HD12 ILE 48 2HD1 ILE 48 5.642 6.588 1.234 365 HD13 ILE 48 3HD1 ILE 48 5.814 6.851 2.986 366 H LYS 49 H LYS 49 6.139 12.703 1.870 367 HA LYS 49 HA LYS 49 8.739 13.358 0.709 368 HB2 LYS 49 1HB LYS 49 6.444 14.992 1.778 369 HB3 LYS 49 2HB LYS 49 8.046 15.688 1.646 370 HG2 LYS 49 1HG LYS 49 6.761 14.242 -0.703 371 HG3 LYS 49 2HG LYS 49 6.431 15.934 -0.390 372 HD2 LYS 49 1HD LYS 49 8.312 16.403 -1.576 373 HD3 LYS 49 2HD LYS 49 9.221 15.807 -0.200 374 HE2 LYS 49 1HE LYS 49 9.961 14.030 -1.401 375 HE3 LYS 49 2HE LYS 49 8.317 13.527 -1.739 376 HZ1 LYS 49 1HZ LYS 49 9.506 15.733 -3.234 377 HZ2 LYS 49 2HZ LYS 49 9.813 14.188 -3.663 378 HZ3 LYS 49 3HZ LYS 49 8.279 14.748 -3.669 379 H ASP 50 H ASP 50 9.147 11.437 2.511 380 HA ASP 50 HA ASP 50 9.653 12.797 5.024 381 HB2 ASP 50 1HB ASP 50 8.446 10.680 5.223 382 HB3 ASP 50 2HB ASP 50 9.623 9.855 4.221 383 H ALA 51 H ALA 51 11.101 11.636 2.081 384 HA ALA 51 HA ALA 51 13.206 11.900 1.357 385 HB1 ALA 51 1HB ALA 51 14.697 13.160 2.532 386 HB2 ALA 51 2HB ALA 51 13.303 13.455 3.598 387 HB3 ALA 51 3HB ALA 51 14.494 12.201 4.018 388 H GLY 52 H GLY 52 12.991 10.228 4.573 389 HA2 GLY 52 1HA GLY 52 14.963 8.383 4.351 390 HA3 GLY 52 2HA GLY 52 13.414 8.077 5.111 391 H ILE 53 H ILE 53 11.999 8.605 2.418 392 HA ILE 53 HA ILE 53 12.441 5.906 1.396 393 HB ILE 53 HB ILE 53 10.156 7.847 1.032 394 HG12 ILE 53 1HG1 ILE 53 9.755 5.259 2.409 395 HG13 ILE 53 2HG1 ILE 53 10.754 6.410 3.274 396 HG21 ILE 53 1HG2 ILE 53 10.699 6.196 -0.880 397 HG22 ILE 53 2HG2 ILE 53 10.112 4.944 0.240 398 HG23 ILE 53 3HG2 ILE 53 9.034 6.270 -0.256 399 HD11 ILE 53 1HD1 ILE 53 7.977 6.991 2.141 400 HD12 ILE 53 2HD1 ILE 53 8.360 6.695 3.854 401 HD13 ILE 53 3HD1 ILE 53 8.990 8.147 3.039 402 H SER 54 H SER 54 12.853 5.491 -0.817 403 HA SER 54 HA SER 54 13.974 7.814 -2.149 404 HB2 SER 54 1HB SER 54 14.800 5.059 -1.843 405 HB3 SER 54 2HB SER 54 14.583 5.384 -3.551 406 HG SER 54 HG SER 54 16.624 6.160 -1.923 407 H THR 55 H THR 55 13.635 7.999 -4.554 408 HA THR 55 HA THR 55 11.060 8.142 -5.314 409 HB THR 55 HB THR 55 13.698 7.780 -6.733 410 HG1 THR 55 HG1 THR 55 13.058 9.886 -6.110 411 HG21 THR 55 1HG2 THR 55 12.306 6.584 -8.321 412 HG22 THR 55 2HG2 THR 55 10.935 7.682 -8.038 413 HG23 THR 55 3HG2 THR 55 12.378 8.265 -8.901 414 H LYS 56 H LYS 56 13.179 5.262 -5.921 415 HA LYS 56 HA LYS 56 10.683 3.748 -6.261 416 HB2 LYS 56 1HB LYS 56 11.923 2.256 -7.749 417 HB3 LYS 56 2HB LYS 56 11.927 3.903 -8.348 418 HG2 LYS 56 1HG LYS 56 14.211 3.829 -6.730 419 HG3 LYS 56 2HG LYS 56 14.191 2.228 -7.441 420 HD2 LYS 56 1HD LYS 56 15.339 3.387 -9.104 421 HD3 LYS 56 2HD LYS 56 13.700 3.554 -9.701 422 HE2 LYS 56 1HE LYS 56 13.774 5.814 -9.475 423 HE3 LYS 56 2HE LYS 56 14.250 5.685 -7.793 424 HZ1 LYS 56 1HZ LYS 56 16.027 6.697 -8.810 425 HZ2 LYS 56 2HZ LYS 56 16.525 5.143 -8.749 426 HZ3 LYS 56 3HZ LYS 56 15.967 5.768 -10.151 427 H HIS 57 H HIS 57 10.802 3.777 -3.799 428 HA HIS 57 HA HIS 57 12.914 2.307 -2.603 429 HB2 HIS 57 1HB HIS 57 11.641 4.087 -1.453 430 HB3 HIS 57 2HB HIS 57 10.197 3.097 -1.516 431 HD2 HIS 57 HD2 HIS 57 11.152 0.288 -0.308 432 HE1 HIS 57 HE1 HIS 57 12.915 2.515 2.860 433 HE2 HIS 57 HE2 HIS 57 12.042 0.208 2.078 434 H LEU 58 H LEU 58 9.355 1.604 -2.923 435 HA LEU 58 HA LEU 58 9.987 -1.104 -3.676 436 HB2 LEU 58 1HB LEU 58 8.619 -2.076 -1.852 437 HB3 LEU 58 2HB LEU 58 10.162 -1.416 -1.348 438 HG LEU 58 HG LEU 58 9.161 0.440 -0.280 439 HD11 LEU 58 1HD1 LEU 58 6.626 -0.299 -1.755 440 HD12 LEU 58 2HD1 LEU 58 6.676 0.852 -0.399 441 HD13 LEU 58 3HD1 LEU 58 7.586 1.193 -1.890 442 HD21 LEU 58 1HD2 LEU 58 8.259 -2.242 0.319 443 HD22 LEU 58 2HD2 LEU 58 8.718 -0.919 1.418 444 HD23 LEU 58 3HD2 LEU 58 7.047 -1.037 0.817 445 H ARG 59 H ARG 59 7.765 -2.337 -3.972 446 HA ARG 59 HA ARG 59 5.769 -0.395 -4.782 447 HB2 ARG 59 1HB ARG 59 5.508 -1.362 -6.959 448 HB3 ARG 59 2HB ARG 59 7.241 -1.216 -6.747 449 HG2 ARG 59 1HG ARG 59 6.986 -3.689 -5.728 450 HG3 ARG 59 2HG ARG 59 5.524 -3.699 -6.694 451 HD2 ARG 59 1HD ARG 59 6.694 -3.535 -8.730 452 HD3 ARG 59 2HD ARG 59 8.075 -2.742 -7.999 453 HE ARG 59 HE ARG 59 7.771 -5.415 -6.936 454 HH11 ARG 59 1HH1 ARG 59 8.879 -3.663 -9.780 455 HH12 ARG 59 2HH1 ARG 59 9.988 -4.901 -10.267 456 HH21 ARG 59 1HH2 ARG 59 9.235 -7.048 -7.579 457 HH22 ARG 59 2HH2 ARG 59 10.192 -6.839 -9.007 458 H ILE 60 H ILE 60 3.579 -1.172 -4.622 459 HA ILE 60 HA ILE 60 3.376 -3.721 -3.189 460 HB ILE 60 HB ILE 60 1.625 -1.264 -3.206 461 HG12 ILE 60 1HG1 ILE 60 3.248 -2.558 -0.994 462 HG13 ILE 60 2HG1 ILE 60 3.711 -1.120 -1.881 463 HG21 ILE 60 1HG2 ILE 60 1.113 -3.671 -1.479 464 HG22 ILE 60 2HG2 ILE 60 0.021 -2.337 -1.924 465 HG23 ILE 60 3HG2 ILE 60 0.449 -3.578 -3.127 466 HD11 ILE 60 1HD1 ILE 60 0.984 -1.168 -0.595 467 HD12 ILE 60 2HD1 ILE 60 2.412 -0.935 0.441 468 HD13 ILE 60 3HD1 ILE 60 2.075 0.209 -0.880 469 H GLU 61 H GLU 61 2.036 -5.362 -3.931 470 HA GLU 61 HA GLU 61 0.339 -4.792 -6.171 471 HB2 GLU 61 1HB GLU 61 1.340 -6.544 -7.615 472 HB3 GLU 61 2HB GLU 61 2.474 -5.246 -7.300 473 HG2 GLU 61 1HG GLU 61 3.904 -6.947 -6.740 474 HG3 GLU 61 2HG GLU 61 3.072 -6.897 -5.198 475 H SER 62 H SER 62 -0.941 -6.865 -6.794 476 HA SER 62 HA SER 62 -1.164 -8.552 -4.426 477 HB2 SER 62 1HB SER 62 -3.128 -7.363 -4.164 478 HB3 SER 62 2HB SER 62 -3.248 -6.963 -5.866 479 HG SER 62 HG SER 62 -4.551 -8.907 -4.536 480 H ASP 63 H ASP 63 -1.579 -10.785 -4.833 481 HA ASP 63 HA ASP 63 -1.960 -11.524 -7.598 482 HB2 ASP 63 1HB ASP 63 0.438 -12.171 -5.886 483 HB3 ASP 63 2HB ASP 63 -0.146 -13.419 -6.968 484 H SER 64 H SER 64 -2.513 -13.967 -7.720 485 HA SER 64 HA SER 64 -3.996 -15.467 -7.105 486 HB2 SER 64 1HB SER 64 -1.577 -15.803 -5.721 487 HB3 SER 64 2HB SER 64 -2.792 -16.043 -4.480 488 HG SER 64 HG SER 64 -2.417 -18.052 -5.463 489 H GLY 65 H GLY 65 -5.263 -13.148 -6.628 490 HA2 GLY 65 1HA GLY 65 -6.768 -12.049 -5.361 491 HA3 GLY 65 2HA GLY 65 -7.220 -13.646 -4.800 492 H ASN 66 H ASN 66 -4.148 -11.785 -4.292 493 HA ASN 66 HA ASN 66 -4.872 -11.387 -1.547 494 HB2 ASN 66 1HB ASN 66 -2.703 -13.298 -2.462 495 HB3 ASN 66 2HB ASN 66 -2.431 -12.374 -0.998 496 HD21 ASN 66 1HD2 ASN 66 -2.959 -15.272 -1.612 497 HD22 ASN 66 2HD2 ASN 66 -4.242 -15.753 -0.552 498 H TRP 67 H TRP 67 -2.902 -10.140 -0.431 499 HA TRP 67 HA TRP 67 -1.741 -8.378 -2.475 500 HB2 TRP 67 1HB TRP 67 -2.538 -7.868 0.392 501 HB3 TRP 67 2HB TRP 67 -1.553 -6.762 -0.545 502 HD1 TRP 67 HD1 TRP 67 -5.174 -7.901 -0.153 503 HE1 TRP 67 HE1 TRP 67 -6.828 -6.420 -1.581 504 HE3 TRP 67 HE3 TRP 67 -1.561 -5.433 -2.745 505 HZ2 TRP 67 HZ2 TRP 67 -6.447 -4.428 -3.589 506 HZ3 TRP 67 HZ3 TRP 67 -2.288 -3.736 -4.420 507 HH2 TRP 67 HH2 TRP 67 -4.636 -3.219 -4.860 508 H VAL 68 H VAL 68 0.514 -7.905 -2.343 509 HA VAL 68 HA VAL 68 2.010 -9.281 -0.257 510 HB VAL 68 HB VAL 68 3.300 -10.558 -1.672 511 HG11 VAL 68 1HG1 VAL 68 0.634 -10.584 -3.122 512 HG12 VAL 68 2HG1 VAL 68 1.809 -11.915 -2.987 513 HG13 VAL 68 3HG1 VAL 68 0.927 -11.356 -1.545 514 HG21 VAL 68 1HG2 VAL 68 2.743 -8.440 -3.621 515 HG22 VAL 68 2HG2 VAL 68 4.166 -9.495 -3.448 516 HG23 VAL 68 3HG2 VAL 68 2.735 -10.070 -4.335 517 H ILE 69 H ILE 69 4.168 -8.397 0.036 518 HA ILE 69 HA ILE 69 4.494 -5.807 -1.312 519 HB ILE 69 HB ILE 69 3.701 -5.498 0.965 520 HG12 ILE 69 1HG1 ILE 69 6.522 -4.673 1.282 521 HG13 ILE 69 2HG1 ILE 69 5.790 -4.217 -0.243 522 HG21 ILE 69 1HG2 ILE 69 5.257 -6.132 2.861 523 HG22 ILE 69 2HG2 ILE 69 4.366 -7.468 2.092 524 HG23 ILE 69 3HG2 ILE 69 6.083 -7.205 1.705 525 HD11 ILE 69 1HD1 ILE 69 4.528 -2.613 0.747 526 HD12 ILE 69 2HD1 ILE 69 3.934 -3.755 1.976 527 HD13 ILE 69 3HD1 ILE 69 5.475 -2.901 2.227 528 H GLN 70 H GLN 70 6.613 -5.231 -1.922 529 HA GLN 70 HA GLN 70 8.665 -7.173 -1.310 530 HB2 GLN 70 1HB GLN 70 7.729 -7.963 -3.440 531 HB3 GLN 70 2HB GLN 70 7.877 -6.364 -4.143 532 HG2 GLN 70 1HG GLN 70 10.147 -6.570 -4.487 533 HG3 GLN 70 2HG GLN 70 10.406 -7.439 -2.988 534 HE21 GLN 70 1HE2 GLN 70 9.439 -9.673 -2.906 535 HE22 GLN 70 2HE2 GLN 70 9.625 -10.683 -4.301 536 H ASP 71 H ASP 71 10.575 -6.158 -0.806 537 HA ASP 71 HA ASP 71 10.604 -3.316 -1.060 538 HB2 ASP 71 1HB ASP 71 11.499 -4.037 0.994 539 HB3 ASP 71 2HB ASP 71 12.301 -5.421 0.278 540 H LEU 72 H LEU 72 11.362 -2.390 -2.969 541 HA LEU 72 HA LEU 72 12.916 -3.931 -4.799 542 HB2 LEU 72 1HB LEU 72 11.989 -1.058 -4.785 543 HB3 LEU 72 2HB LEU 72 12.896 -1.783 -6.098 544 HG LEU 72 HG LEU 72 11.123 -2.993 -6.866 545 HD11 LEU 72 1HD1 LEU 72 9.912 -3.033 -4.088 546 HD12 LEU 72 2HD1 LEU 72 9.283 -3.872 -5.527 547 HD13 LEU 72 3HD1 LEU 72 10.856 -4.342 -4.839 548 HD21 LEU 72 1HD2 LEU 72 8.992 -1.457 -5.817 549 HD22 LEU 72 2HD2 LEU 72 10.410 -0.384 -5.907 550 HD23 LEU 72 3HD2 LEU 72 9.852 -1.246 -7.361 551 H GLY 73 H GLY 73 14.462 -4.203 -2.706 552 HA2 GLY 73 1HA GLY 73 16.377 -3.598 -1.627 553 HA3 GLY 73 2HA GLY 73 16.943 -3.465 -3.280 554 H SER 74 H SER 74 15.036 -1.531 -0.856 555 HA SER 74 HA SER 74 16.196 0.848 -2.029 556 HB2 SER 74 1HB SER 74 13.709 0.691 -1.623 557 HB3 SER 74 2HB SER 74 14.024 0.590 0.098 558 HG SER 74 HG SER 74 14.989 2.783 -1.519 559 H SER 75 H SER 75 16.851 2.628 -0.363 560 HA SER 75 HA SER 75 18.902 1.615 1.181 561 HB2 SER 75 1HB SER 75 17.497 4.318 1.215 562 HB3 SER 75 2HB SER 75 18.937 3.986 2.156 563 HG SER 75 HG SER 75 18.714 4.593 -0.518 564 H ASN 76 H ASN 76 19.140 2.140 3.652 565 HA ASN 76 HA ASN 76 18.533 1.776 5.700 566 HB2 ASN 76 1HB ASN 76 15.892 2.798 4.592 567 HB3 ASN 76 2HB ASN 76 15.961 2.215 6.243 568 HD21 ASN 76 1HD2 ASN 76 16.178 4.867 4.344 569 HD22 ASN 76 2HD2 ASN 76 17.115 5.931 5.340 570 H GLY 77 H GLY 77 15.287 0.919 4.346 571 HA2 GLY 77 1HA GLY 77 15.204 -1.569 3.654 572 HA3 GLY 77 2HA GLY 77 15.656 -1.830 5.327 573 H THR 78 H THR 78 13.165 -2.679 4.026 574 HA THR 78 HA THR 78 11.178 -0.887 5.207 575 HB THR 78 HB THR 78 10.699 -3.395 3.539 576 HG1 THR 78 HG1 THR 78 11.772 -2.230 1.993 577 HG21 THR 78 1HG2 THR 78 8.668 -2.312 2.909 578 HG22 THR 78 2HG2 THR 78 8.798 -1.942 4.645 579 HG23 THR 78 3HG2 THR 78 9.255 -0.717 3.436 580 H LEU 79 H LEU 79 9.812 -1.436 6.875 581 HA LEU 79 HA LEU 79 10.475 -3.985 8.178 582 HB2 LEU 79 1HB LEU 79 10.002 -1.244 9.315 583 HB3 LEU 79 2HB LEU 79 9.742 -2.682 10.282 584 HG LEU 79 HG LEU 79 12.366 -2.074 8.900 585 HD11 LEU 79 1HD1 LEU 79 11.293 -1.143 11.537 586 HD12 LEU 79 2HD1 LEU 79 13.023 -1.533 11.386 587 HD13 LEU 79 3HD1 LEU 79 12.298 -0.288 10.342 588 HD21 LEU 79 1HD2 LEU 79 13.270 -3.866 9.997 589 HD22 LEU 79 2HD2 LEU 79 12.093 -3.795 11.330 590 HD23 LEU 79 3HD2 LEU 79 11.609 -4.456 9.750 591 H LEU 80 H LEU 80 8.766 -5.258 8.937 592 HA LEU 80 HA LEU 80 6.092 -4.214 8.324 593 HB2 LEU 80 1HB LEU 80 6.952 -5.760 6.566 594 HB3 LEU 80 2HB LEU 80 7.061 -7.022 7.777 595 HG LEU 80 HG LEU 80 4.649 -6.974 8.115 596 HD11 LEU 80 1HD1 LEU 80 3.333 -5.582 6.327 597 HD12 LEU 80 2HD1 LEU 80 3.884 -4.823 7.840 598 HD13 LEU 80 3HD1 LEU 80 4.796 -4.569 6.333 599 HD21 LEU 80 1HD2 LEU 80 5.381 -8.509 6.460 600 HD22 LEU 80 2HD2 LEU 80 3.937 -7.700 5.806 601 HD23 LEU 80 3HD2 LEU 80 5.556 -7.224 5.241 602 H ASN 81 H ASN 81 5.225 -3.852 10.309 603 HA ASN 81 HA ASN 81 4.389 -4.291 12.264 604 HB2 ASN 81 1HB ASN 81 5.293 -7.195 11.884 605 HB3 ASN 81 2HB ASN 81 4.133 -6.637 13.073 606 HD21 ASN 81 1HD2 ASN 81 4.498 -8.024 10.120 607 HD22 ASN 81 2HD2 ASN 81 2.964 -7.684 9.392 608 H SER 82 H SER 82 7.136 -6.690 12.054 609 HA SER 82 HA SER 82 8.817 -5.064 13.628 610 HB2 SER 82 1HB SER 82 7.171 -7.161 14.953 611 HB3 SER 82 2HB SER 82 8.880 -7.231 15.335 612 HG SER 82 HG SER 82 7.099 -5.628 16.446 613 H ASN 83 H ASN 83 9.368 -5.925 11.166 614 HA ASN 83 HA ASN 83 11.544 -7.658 11.584 615 HB2 ASN 83 1HB ASN 83 9.272 -9.100 11.175 616 HB3 ASN 83 2HB ASN 83 9.658 -8.761 9.499 617 HD21 ASN 83 1HD2 ASN 83 9.724 -11.218 11.230 618 HD22 ASN 83 2HD2 ASN 83 11.292 -11.917 10.998 619 H ALA 84 H ALA 84 13.083 -7.210 9.935 620 HA ALA 84 HA ALA 84 12.361 -5.155 8.066 621 HB1 ALA 84 1HB ALA 84 14.943 -5.932 7.478 622 HB2 ALA 84 2HB ALA 84 14.493 -4.706 8.688 623 HB3 ALA 84 3HB ALA 84 14.798 -6.386 9.193 624 H LEU 85 H LEU 85 11.544 -5.508 6.067 625 HA LEU 85 HA LEU 85 11.253 -8.125 5.071 626 HB2 LEU 85 1HB LEU 85 10.919 -5.464 3.680 627 HB3 LEU 85 2HB LEU 85 10.339 -7.010 3.094 628 HG LEU 85 HG LEU 85 9.436 -5.737 5.691 629 HD11 LEU 85 1HD1 LEU 85 8.818 -4.923 3.065 630 HD12 LEU 85 2HD1 LEU 85 7.398 -5.817 3.659 631 HD13 LEU 85 3HD1 LEU 85 8.028 -4.431 4.582 632 HD21 LEU 85 1HD2 LEU 85 7.798 -7.410 5.835 633 HD22 LEU 85 2HD2 LEU 85 8.055 -7.935 4.154 634 HD23 LEU 85 3HD2 LEU 85 9.290 -8.271 5.390 635 H ASP 86 H ASP 86 11.970 -8.589 2.658 636 HA ASP 86 HA ASP 86 14.742 -7.734 2.412 637 HB2 ASP 86 1HB ASP 86 13.906 -10.315 3.106 638 HB3 ASP 86 2HB ASP 86 14.139 -10.442 1.374 639 HA PRO 87 HA PRO 87 13.534 -7.142 -1.762 640 HB2 PRO 87 1HB PRO 87 15.927 -7.266 -3.077 641 HB3 PRO 87 2HB PRO 87 15.381 -5.843 -2.211 642 HG2 PRO 87 1HG PRO 87 17.433 -7.820 -1.422 643 HG3 PRO 87 2HG PRO 87 17.174 -6.200 -0.805 644 HD2 PRO 87 1HD PRO 87 16.448 -8.662 0.477 645 HD3 PRO 87 2HD PRO 87 16.087 -7.041 1.038 646 H GLU 88 H GLU 88 15.548 -9.929 -1.155 647 HA GLU 88 HA GLU 88 14.500 -11.142 -3.551 648 HB2 GLU 88 1HB GLU 88 16.511 -12.148 -1.490 649 HB3 GLU 88 2HB GLU 88 16.066 -13.018 -2.944 650 HG2 GLU 88 1HG GLU 88 16.715 -10.733 -4.157 651 HG3 GLU 88 2HG GLU 88 17.616 -10.432 -2.684 652 H THR 89 H THR 89 12.780 -10.467 -1.150 653 HA THR 89 HA THR 89 11.580 -13.109 -0.902 654 HB THR 89 HB THR 89 12.314 -11.366 1.510 655 HG1 THR 89 HG1 THR 89 13.787 -13.276 1.793 656 HG21 THR 89 1HG2 THR 89 10.280 -13.190 1.404 657 HG22 THR 89 2HG2 THR 89 11.650 -14.291 1.686 658 HG23 THR 89 3HG2 THR 89 11.306 -12.983 2.844 659 H SER 90 H SER 90 9.352 -13.086 -0.679 660 HA SER 90 HA SER 90 8.208 -10.405 -0.645 661 HB2 SER 90 1HB SER 90 6.487 -11.204 -2.264 662 HB3 SER 90 2HB SER 90 8.104 -11.243 -2.938 663 HG SER 90 HG SER 90 7.780 -13.636 -1.801 664 H VAL 91 H VAL 91 6.525 -10.127 0.818 665 HA VAL 91 HA VAL 91 5.511 -12.584 2.075 666 HB VAL 91 HB VAL 91 5.597 -9.926 3.455 667 HG11 VAL 91 1HG1 VAL 91 6.187 -12.444 4.889 668 HG12 VAL 91 2HG1 VAL 91 5.103 -11.100 5.321 669 HG13 VAL 91 3HG1 VAL 91 4.561 -12.346 4.171 670 HG21 VAL 91 1HG2 VAL 91 7.874 -10.222 2.631 671 HG22 VAL 91 2HG2 VAL 91 7.815 -10.489 4.390 672 HG23 VAL 91 3HG2 VAL 91 7.917 -11.878 3.282 673 H ASN 92 H ASN 92 3.252 -12.552 2.733 674 HA ASN 92 HA ASN 92 1.725 -10.996 0.869 675 HB2 ASN 92 1HB ASN 92 -0.165 -12.432 1.592 676 HB3 ASN 92 2HB ASN 92 1.229 -13.426 1.222 677 HD21 ASN 92 1HD2 ASN 92 2.278 -14.544 2.795 678 HD22 ASN 92 2HD2 ASN 92 1.720 -14.699 4.428 679 H LEU 93 H LEU 93 0.769 -9.051 1.491 680 HA LEU 93 HA LEU 93 1.080 -7.974 4.015 681 HB2 LEU 93 1HB LEU 93 -0.810 -7.339 1.754 682 HB3 LEU 93 2HB LEU 93 -0.735 -6.381 3.220 683 HG LEU 93 HG LEU 93 1.675 -6.880 1.459 684 HD11 LEU 93 1HD1 LEU 93 -0.613 -5.109 1.029 685 HD12 LEU 93 2HD1 LEU 93 0.948 -4.253 1.047 686 HD13 LEU 93 3HD1 LEU 93 0.687 -5.604 -0.082 687 HD21 LEU 93 1HD2 LEU 93 1.694 -6.046 3.996 688 HD22 LEU 93 2HD2 LEU 93 2.837 -5.439 2.774 689 HD23 LEU 93 3HD2 LEU 93 1.398 -4.482 3.200 690 H GLY 94 H GLY 94 -0.667 -7.346 5.590 691 HA2 GLY 94 1HA GLY 94 -2.911 -9.231 5.673 692 HA3 GLY 94 2HA GLY 94 -1.756 -9.264 6.990 693 H ASP 95 H ASP 95 -4.653 -8.492 6.998 694 HA ASP 95 HA ASP 95 -4.904 -5.743 7.108 695 HB2 ASP 95 1HB ASP 95 -6.947 -6.886 7.040 696 HB3 ASP 95 2HB ASP 95 -6.422 -8.111 8.178 697 H GLY 96 H GLY 96 -3.864 -4.373 8.563 698 HA2 GLY 96 1HA GLY 96 -3.621 -3.590 10.769 699 HA3 GLY 96 2HA GLY 96 -3.661 -5.236 11.368 700 H ASP 97 H ASP 97 -1.805 -4.893 8.455 701 HA ASP 97 HA ASP 97 0.562 -5.441 9.945 702 HB2 ASP 97 1HB ASP 97 -0.067 -5.169 6.977 703 HB3 ASP 97 2HB ASP 97 1.568 -5.435 7.548 704 H VAL 98 H VAL 98 2.095 -3.874 10.508 705 HA VAL 98 HA VAL 98 1.669 -1.188 9.454 706 HB VAL 98 HB VAL 98 2.999 -2.369 11.870 707 HG11 VAL 98 1HG1 VAL 98 4.673 -0.878 11.701 708 HG12 VAL 98 2HG1 VAL 98 3.848 0.042 10.420 709 HG13 VAL 98 3HG1 VAL 98 3.448 0.340 12.129 710 HG21 VAL 98 1HG2 VAL 98 0.787 -1.875 12.361 711 HG22 VAL 98 2HG2 VAL 98 1.614 -0.382 12.867 712 HG23 VAL 98 3HG2 VAL 98 0.760 -0.441 11.307 713 H ILE 99 H ILE 99 2.977 -0.327 7.921 714 HA ILE 99 HA ILE 99 5.444 -1.809 7.348 715 HB ILE 99 HB ILE 99 3.848 -0.012 5.521 716 HG12 ILE 99 1HG1 ILE 99 3.938 -3.029 5.405 717 HG13 ILE 99 2HG1 ILE 99 2.714 -2.178 6.325 718 HG21 ILE 99 1HG2 ILE 99 6.456 -0.595 5.280 719 HG22 ILE 99 2HG2 ILE 99 5.765 -2.034 4.493 720 HG23 ILE 99 3HG2 ILE 99 5.363 -0.408 3.888 721 HD11 ILE 99 1HD1 ILE 99 2.966 -0.960 3.693 722 HD12 ILE 99 2HD1 ILE 99 2.704 -2.714 3.536 723 HD13 ILE 99 3HD1 ILE 99 1.541 -1.718 4.444 724 H LYS 100 H LYS 100 7.128 -0.870 8.393 725 HA LYS 100 HA LYS 100 7.122 2.048 8.579 726 HB2 LYS 100 1HB LYS 100 8.267 -0.172 10.206 727 HB3 LYS 100 2HB LYS 100 9.199 1.309 10.119 728 HG2 LYS 100 1HG LYS 100 7.586 2.567 11.229 729 HG3 LYS 100 2HG LYS 100 6.252 1.621 10.600 730 HD2 LYS 100 1HD LYS 100 6.176 0.620 12.642 731 HD3 LYS 100 2HD LYS 100 7.617 -0.251 12.154 732 HE2 LYS 100 1HE LYS 100 9.072 1.398 13.201 733 HE3 LYS 100 2HE LYS 100 7.737 2.502 13.465 734 HZ1 LYS 100 1HZ LYS 100 8.140 -0.104 14.752 735 HZ2 LYS 100 2HZ LYS 100 8.153 1.366 15.464 736 HZ3 LYS 100 3HZ LYS 100 6.755 0.751 14.885 737 H LEU 101 H LEU 101 7.995 2.986 6.798 738 HA LEU 101 HA LEU 101 10.545 1.855 5.880 739 HB2 LEU 101 1HB LEU 101 9.976 2.317 3.620 740 HB3 LEU 101 2HB LEU 101 8.719 1.319 4.325 741 HG LEU 101 HG LEU 101 8.316 4.284 4.307 742 HD11 LEU 101 1HD1 LEU 101 9.158 3.253 1.988 743 HD12 LEU 101 2HD1 LEU 101 7.435 2.820 1.872 744 HD13 LEU 101 3HD1 LEU 101 7.913 4.521 2.088 745 HD21 LEU 101 1HD2 LEU 101 6.311 3.662 5.014 746 HD22 LEU 101 2HD2 LEU 101 6.040 2.802 3.479 747 HD23 LEU 101 3HD2 LEU 101 6.765 1.948 4.862 748 H GLY 102 H GLY 102 11.911 3.545 4.715 749 HA2 GLY 102 1HA GLY 102 12.851 5.595 4.594 750 HA3 GLY 102 2HA GLY 102 11.357 6.304 5.173 751 H GLU 103 H GLU 103 11.707 7.500 6.989 752 HA GLU 103 HA GLU 103 13.706 6.479 8.841 753 HB2 GLU 103 1HB GLU 103 12.541 9.291 8.630 754 HB3 GLU 103 2HB GLU 103 13.840 8.797 9.697 755 HG2 GLU 103 1HG GLU 103 14.918 7.934 7.373 756 HG3 GLU 103 2HG GLU 103 13.872 9.174 6.709 757 H TYR 104 H TYR 104 10.685 8.506 9.051 758 HA TYR 104 HA TYR 104 9.813 6.727 11.224 759 HB2 TYR 104 1HB TYR 104 9.796 9.789 10.897 760 HB3 TYR 104 2HB TYR 104 8.855 8.986 12.138 761 HD1 TYR 104 HD2 TYR 104 10.042 7.702 13.960 762 HD2 TYR 104 HD1 TYR 104 12.136 10.188 11.177 763 HE1 TYR 104 HE2 TYR 104 12.054 7.757 15.512 764 HE2 TYR 104 HE1 TYR 104 14.141 10.234 12.739 765 HH TYR 104 HH TYR 104 13.968 9.348 15.920 766 H THR 105 H THR 105 8.946 6.079 8.753 767 HA THR 105 HA THR 105 6.254 7.274 8.649 768 HB THR 105 HB THR 105 8.224 6.488 6.459 769 HG1 THR 105 HG1 THR 105 8.037 8.703 7.378 770 HG21 THR 105 1HG2 THR 105 5.955 7.411 5.163 771 HG22 THR 105 2HG2 THR 105 6.409 5.693 5.271 772 HG23 THR 105 3HG2 THR 105 5.242 6.379 6.427 773 H SER 106 H SER 106 4.658 5.928 9.173 774 HA SER 106 HA SER 106 5.203 3.094 8.744 775 HB2 SER 106 1HB SER 106 3.523 4.311 10.982 776 HB3 SER 106 2HB SER 106 3.853 2.605 10.753 777 HG SER 106 HG SER 106 5.944 4.568 11.132 778 H ILE 107 H ILE 107 3.585 1.915 7.679 779 HA ILE 107 HA ILE 107 1.128 3.410 7.078 780 HB ILE 107 HB ILE 107 2.574 1.530 5.213 781 HG12 ILE 107 1HG1 ILE 107 2.527 4.558 5.102 782 HG13 ILE 107 2HG1 ILE 107 3.872 3.621 5.721 783 HG21 ILE 107 1HG2 ILE 107 0.576 1.491 4.218 784 HG22 ILE 107 2HG2 ILE 107 -0.040 2.845 5.194 785 HG23 ILE 107 3HG2 ILE 107 0.923 3.168 3.733 786 HD11 ILE 107 1HD1 ILE 107 3.855 2.360 3.464 787 HD12 ILE 107 2HD1 ILE 107 2.761 3.641 2.889 788 HD13 ILE 107 3HD1 ILE 107 4.406 4.053 3.430 789 H LEU 108 H LEU 108 -0.788 2.344 7.422 790 HA LEU 108 HA LEU 108 -0.508 -0.354 8.517 791 HB2 LEU 108 1HB LEU 108 -1.559 0.805 10.145 792 HB3 LEU 108 2HB LEU 108 -2.266 1.965 9.038 793 HG LEU 108 HG LEU 108 -3.938 0.253 8.349 794 HD11 LEU 108 1HD1 LEU 108 -2.183 -1.513 9.725 795 HD12 LEU 108 2HD1 LEU 108 -3.750 -1.529 10.570 796 HD13 LEU 108 3HD1 LEU 108 -3.674 -1.893 8.829 797 HD21 LEU 108 1HD2 LEU 108 -5.374 0.653 10.128 798 HD22 LEU 108 2HD2 LEU 108 -4.074 0.546 11.340 799 HD23 LEU 108 3HD2 LEU 108 -4.184 1.968 10.275 800 H VAL 109 H VAL 109 -1.642 -2.110 7.673 801 HA VAL 109 HA VAL 109 -2.835 -1.580 5.047 802 HB VAL 109 HB VAL 109 -1.537 -4.021 6.263 803 HG11 VAL 109 1HG1 VAL 109 -3.642 -4.038 4.425 804 HG12 VAL 109 2HG1 VAL 109 -2.179 -4.234 3.430 805 HG13 VAL 109 3HG1 VAL 109 -2.507 -5.367 4.763 806 HG21 VAL 109 1HG2 VAL 109 -0.678 -1.876 4.426 807 HG22 VAL 109 2HG2 VAL 109 0.283 -2.955 5.465 808 HG23 VAL 109 3HG2 VAL 109 -0.290 -3.524 3.879 809 H ASN 110 H ASN 110 -5.013 -1.647 4.908 810 HA ASN 110 HA ASN 110 -6.360 -3.317 6.883 811 HB2 ASN 110 1HB ASN 110 -6.658 -0.472 6.313 812 HB3 ASN 110 2HB ASN 110 -8.159 -1.287 5.923 813 HD21 ASN 110 1HD2 ASN 110 -5.618 -1.700 8.391 814 HD22 ASN 110 2HD2 ASN 110 -6.656 -1.691 9.778 815 H PHE 111 H PHE 111 -7.839 -4.796 5.969 816 HA PHE 111 HA PHE 111 -8.058 -4.741 3.074 817 HB2 PHE 111 1HB PHE 111 -8.693 -6.698 5.352 818 HB3 PHE 111 2HB PHE 111 -9.181 -7.046 3.705 819 HD1 PHE 111 HD2 PHE 111 -6.760 -5.979 2.265 820 HD2 PHE 111 HD1 PHE 111 -7.116 -8.390 5.739 821 HE1 PHE 111 HE2 PHE 111 -4.502 -6.973 1.806 822 HE2 PHE 111 HE1 PHE 111 -4.858 -9.384 5.280 823 HZ PHE 111 HZ PHE 111 -3.577 -8.664 3.319 824 H VAL 112 H VAL 112 -9.713 -3.515 2.276 825 HA VAL 112 HA VAL 112 -12.139 -3.269 3.838 826 HB VAL 112 HB VAL 112 -11.397 -2.066 1.166 827 HG11 VAL 112 1HG1 VAL 112 -13.698 -1.777 3.033 828 HG12 VAL 112 2HG1 VAL 112 -13.067 -0.284 2.296 829 HG13 VAL 112 3HG1 VAL 112 -13.627 -1.620 1.261 830 HG21 VAL 112 1HG2 VAL 112 -10.084 -1.615 3.561 831 HG22 VAL 112 2HG2 VAL 112 -10.129 -0.509 2.166 832 HG23 VAL 112 3HG2 VAL 112 -11.285 -0.302 3.504 833 H SER 113 H SER 113 -13.605 -4.890 3.715 834 HA SER 113 HA SER 113 -13.660 -6.485 1.331 835 HB2 SER 113 1HB SER 113 -14.154 -6.962 4.057 836 HB3 SER 113 2HB SER 113 -15.748 -7.035 3.331 837 HG SER 113 HG SER 113 -14.887 -9.112 3.183 838 H GLY 114 H GLY 114 -14.946 -5.936 -0.387 839 HA2 GLY 114 1HA GLY 114 -16.692 -5.160 -1.572 840 HA3 GLY 114 2HA GLY 114 -17.676 -5.312 -0.130 841 HA PRO 115 HA PRO 115 -17.285 -0.871 -0.948 842 HB2 PRO 115 1HB PRO 115 -19.951 -0.268 -0.953 843 HB3 PRO 115 2HB PRO 115 -19.045 -0.619 -2.411 844 HG2 PRO 115 1HG PRO 115 -20.979 -2.332 -0.975 845 HG3 PRO 115 2HG PRO 115 -20.397 -2.475 -2.621 846 HD2 PRO 115 1HD PRO 115 -19.590 -4.060 -0.371 847 HD3 PRO 115 2HD PRO 115 -18.925 -4.125 -1.991 848 H SER 116 H SER 116 -19.489 -2.479 1.265 849 HA SER 116 HA SER 116 -18.286 -1.012 3.386 850 HB2 SER 116 1HB SER 116 -20.903 -0.203 2.271 851 HB3 SER 116 2HB SER 116 -20.965 -0.523 3.993 852 HG SER 116 HG SER 116 -19.779 1.590 2.624 853 H SER 117 H SER 117 -17.743 -3.020 4.319 854 HA SER 117 HA SER 117 -19.434 -5.197 4.362 855 HB2 SER 117 1HB SER 117 -17.915 -5.961 6.283 856 HB3 SER 117 2HB SER 117 -17.117 -5.572 4.772 857 HG SER 117 HG SER 117 -15.910 -4.278 5.982 858 H GLY 118 H GLY 118 -18.621 -2.850 7.030 859 HA2 GLY 118 1HA GLY 118 -21.197 -3.571 8.297 860 HA3 GLY 118 2HA GLY 118 -19.742 -3.134 9.172 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -25.948 12.153 -5.052 2 HA2 GLY 1 1HA GLY 1 -26.473 10.096 -7.108 3 HA3 GLY 1 2HA GLY 1 -24.843 10.537 -6.640 4 H SER 2 H SER 2 -24.984 8.041 -6.184 5 HA SER 2 HA SER 2 -25.433 7.832 -3.345 6 HB2 SER 2 1HB SER 2 -26.558 5.561 -3.706 7 HB3 SER 2 2HB SER 2 -27.532 6.968 -4.086 8 HG SER 2 HG SER 2 -26.490 4.978 -5.793 9 H SER 3 H SER 3 -24.030 6.279 -2.344 10 HA SER 3 HA SER 3 -22.261 4.905 -4.202 11 HB2 SER 3 1HB SER 3 -20.341 5.435 -2.695 12 HB3 SER 3 2HB SER 3 -21.042 6.868 -3.421 13 HG SER 3 HG SER 3 -20.626 6.483 -0.848 14 H GLY 4 H GLY 4 -22.806 2.767 -3.860 15 HA2 GLY 4 1HA GLY 4 -23.573 1.885 -1.193 16 HA3 GLY 4 2HA GLY 4 -23.654 0.975 -2.688 17 H SER 5 H SER 5 -21.251 0.764 -3.768 18 HA SER 5 HA SER 5 -19.340 -0.256 -3.655 19 HB2 SER 5 1HB SER 5 -19.189 1.423 -1.143 20 HB3 SER 5 2HB SER 5 -17.896 0.295 -1.500 21 HG SER 5 HG SER 5 -18.017 1.420 -3.761 22 H SER 6 H SER 6 -18.117 -2.096 -2.619 23 HA SER 6 HA SER 6 -19.091 -3.248 -0.267 24 HB2 SER 6 1HB SER 6 -20.353 -5.099 -1.041 25 HB3 SER 6 2HB SER 6 -20.981 -3.742 -1.954 26 HG SER 6 HG SER 6 -20.592 -5.068 -3.615 27 H GLY 7 H GLY 7 -18.080 -5.560 0.000 28 HA2 GLY 7 1HA GLY 7 -15.441 -5.510 -1.312 29 HA3 GLY 7 2HA GLY 7 -15.815 -6.216 0.247 30 H MET 8 H MET 8 -14.592 -7.388 -2.289 31 HA MET 8 HA MET 8 -15.736 -9.883 -2.089 32 HB2 MET 8 1HB MET 8 -17.571 -8.539 -3.399 33 HB3 MET 8 2HB MET 8 -16.444 -8.532 -4.741 34 HG2 MET 8 1HG MET 8 -16.631 -10.836 -5.104 35 HG3 MET 8 2HG MET 8 -16.986 -11.186 -3.424 36 HE1 MET 8 1HE MET 8 -20.539 -11.460 -3.132 37 HE2 MET 8 2HE MET 8 -19.465 -12.685 -3.850 38 HE3 MET 8 3HE MET 8 -18.875 -11.649 -2.528 39 H VAL 9 H VAL 9 -14.704 -11.468 -3.592 40 HA VAL 9 HA VAL 9 -12.663 -12.197 -4.238 41 HB VAL 9 HB VAL 9 -12.297 -11.664 -6.576 42 HG11 VAL 9 1HG1 VAL 9 -13.987 -13.208 -6.506 43 HG12 VAL 9 2HG1 VAL 9 -15.058 -12.162 -5.543 44 HG13 VAL 9 3HG1 VAL 9 -14.858 -11.868 -7.288 45 HG21 VAL 9 1HG2 VAL 9 -14.022 -9.278 -5.948 46 HG22 VAL 9 2HG2 VAL 9 -12.480 -9.361 -6.833 47 HG23 VAL 9 3HG2 VAL 9 -13.978 -9.946 -7.597 48 H THR 10 H THR 10 -11.213 -11.447 -2.626 49 HA THR 10 HA THR 10 -9.401 -10.381 -1.900 50 HB THR 10 HB THR 10 -9.320 -9.238 -4.744 51 HG1 THR 10 HG1 THR 10 -8.102 -11.538 -3.383 52 HG21 THR 10 1HG2 THR 10 -6.876 -9.908 -3.121 53 HG22 THR 10 2HG2 THR 10 -7.100 -8.642 -4.352 54 HG23 THR 10 3HG2 THR 10 -7.724 -8.400 -2.703 55 HA PRO 11 HA PRO 11 -11.298 -6.720 -0.550 56 HB2 PRO 11 1HB PRO 11 -9.803 -6.383 1.712 57 HB3 PRO 11 2HB PRO 11 -11.232 -7.395 1.650 58 HG2 PRO 11 1HG PRO 11 -8.390 -8.204 1.712 59 HG3 PRO 11 2HG PRO 11 -9.812 -9.162 2.074 60 HD2 PRO 11 1HD PRO 11 -8.244 -9.258 -0.326 61 HD3 PRO 11 2HD PRO 11 -9.731 -10.130 -0.010 62 H SER 12 H SER 12 -10.987 -4.476 -0.538 63 HA SER 12 HA SER 12 -8.914 -3.730 -2.230 64 HB2 SER 12 1HB SER 12 -10.911 -2.245 -0.513 65 HB3 SER 12 2HB SER 12 -9.624 -1.347 -1.292 66 HG SER 12 HG SER 12 -10.496 -2.824 -3.255 67 H LEU 13 H LEU 13 -6.996 -2.430 -1.799 68 HA LEU 13 HA LEU 13 -5.910 -2.981 0.839 69 HB2 LEU 13 1HB LEU 13 -4.648 -3.631 -1.148 70 HB3 LEU 13 2HB LEU 13 -4.628 -1.968 -1.702 71 HG LEU 13 HG LEU 13 -3.324 -1.341 0.333 72 HD11 LEU 13 1HD1 LEU 13 -2.460 -4.076 0.924 73 HD12 LEU 13 2HD1 LEU 13 -2.879 -2.736 2.019 74 HD13 LEU 13 3HD1 LEU 13 -4.163 -3.765 1.339 75 HD21 LEU 13 1HD2 LEU 13 -1.867 -1.487 -1.392 76 HD22 LEU 13 2HD2 LEU 13 -1.260 -2.871 -0.450 77 HD23 LEU 13 3HD2 LEU 13 -2.361 -3.142 -1.822 78 H ARG 14 H ARG 14 -6.129 -1.510 2.428 79 HA ARG 14 HA ARG 14 -6.339 1.262 1.562 80 HB2 ARG 14 1HB ARG 14 -8.378 0.466 2.704 81 HB3 ARG 14 2HB ARG 14 -7.436 -0.130 4.056 82 HG2 ARG 14 1HG ARG 14 -6.583 2.422 4.137 83 HG3 ARG 14 2HG ARG 14 -8.100 2.717 3.312 84 HD2 ARG 14 1HD ARG 14 -8.849 0.967 5.369 85 HD3 ARG 14 2HD ARG 14 -7.616 1.953 6.130 86 HE ARG 14 HE ARG 14 -9.448 3.613 4.626 87 HH11 ARG 14 1HH1 ARG 14 -9.162 1.801 7.629 88 HH12 ARG 14 2HH1 ARG 14 -10.310 2.781 8.478 89 HH21 ARG 14 1HH2 ARG 14 -10.962 4.906 5.747 90 HH22 ARG 14 2HH2 ARG 14 -11.341 4.559 7.401 91 H LEU 15 H LEU 15 -4.269 2.121 1.760 92 HA LEU 15 HA LEU 15 -2.610 1.261 3.970 93 HB2 LEU 15 1HB LEU 15 -2.132 3.053 1.590 94 HB3 LEU 15 2HB LEU 15 -0.941 2.769 2.844 95 HG LEU 15 HG LEU 15 -2.170 0.545 1.199 96 HD11 LEU 15 1HD1 LEU 15 -0.808 0.940 -0.516 97 HD12 LEU 15 2HD1 LEU 15 -0.523 2.545 0.199 98 HD13 LEU 15 3HD1 LEU 15 0.591 1.203 0.552 99 HD21 LEU 15 1HD2 LEU 15 0.507 0.373 2.512 100 HD22 LEU 15 2HD2 LEU 15 -0.948 0.243 3.529 101 HD23 LEU 15 3HD2 LEU 15 -0.698 -0.895 2.184 102 H VAL 16 H VAL 16 -2.885 2.177 5.929 103 HA VAL 16 HA VAL 16 -3.874 4.928 5.994 104 HB VAL 16 HB VAL 16 -3.724 2.766 8.104 105 HG11 VAL 16 1HG1 VAL 16 -5.080 5.472 8.311 106 HG12 VAL 16 2HG1 VAL 16 -4.906 4.239 9.584 107 HG13 VAL 16 3HG1 VAL 16 -3.473 5.109 8.985 108 HG21 VAL 16 1HG2 VAL 16 -6.347 3.848 7.308 109 HG22 VAL 16 2HG2 VAL 16 -5.497 2.965 6.017 110 HG23 VAL 16 3HG2 VAL 16 -5.829 2.166 7.573 111 H PHE 17 H PHE 17 -2.517 6.583 6.459 112 HA PHE 17 HA PHE 17 0.218 5.949 7.046 113 HB2 PHE 17 1HB PHE 17 -1.535 8.299 6.315 114 HB3 PHE 17 2HB PHE 17 -0.077 8.703 7.200 115 HD1 PHE 17 HD1 PHE 17 2.143 8.206 6.222 116 HD2 PHE 17 HD2 PHE 17 -1.438 7.584 4.031 117 HE1 PHE 17 HE1 PHE 17 3.463 8.110 4.090 118 HE2 PHE 17 HE2 PHE 17 -0.117 7.488 1.899 119 HZ PHE 17 HZ PHE 17 2.318 7.752 1.954 120 H VAL 18 H VAL 18 0.035 4.980 9.183 121 HA VAL 18 HA VAL 18 -1.154 6.429 11.310 122 HB VAL 18 HB VAL 18 0.156 4.716 12.672 123 HG11 VAL 18 1HG1 VAL 18 -2.014 4.199 10.689 124 HG12 VAL 18 2HG1 VAL 18 -1.290 2.791 11.503 125 HG13 VAL 18 3HG1 VAL 18 -2.032 4.091 12.465 126 HG21 VAL 18 1HG2 VAL 18 0.534 2.927 10.418 127 HG22 VAL 18 2HG2 VAL 18 1.536 4.389 10.251 128 HG23 VAL 18 3HG2 VAL 18 1.668 3.381 11.713 129 H LYS 19 H LYS 19 2.074 6.277 9.808 130 HA LYS 19 HA LYS 19 2.847 8.497 11.541 131 HB2 LYS 19 1HB LYS 19 4.579 6.063 11.013 132 HB3 LYS 19 2HB LYS 19 5.090 7.519 11.843 133 HG2 LYS 19 1HG LYS 19 2.738 6.842 13.197 134 HG3 LYS 19 2HG LYS 19 3.434 5.275 12.833 135 HD2 LYS 19 1HD LYS 19 5.578 5.945 13.878 136 HD3 LYS 19 2HD LYS 19 4.964 7.561 14.162 137 HE2 LYS 19 1HE LYS 19 3.098 5.604 15.255 138 HE3 LYS 19 2HE LYS 19 4.709 5.282 15.864 139 HZ1 LYS 19 1HZ LYS 19 3.286 6.971 17.069 140 HZ2 LYS 19 2HZ LYS 19 4.840 7.379 16.779 141 HZ3 LYS 19 3HZ LYS 19 3.646 8.003 15.856 142 H GLY 20 H GLY 20 5.176 9.289 10.560 143 HA2 GLY 20 1HA GLY 20 6.395 9.688 8.592 144 HA3 GLY 20 2HA GLY 20 5.019 9.196 7.626 145 HA PRO 21 HA PRO 21 4.994 13.754 7.896 146 HB2 PRO 21 1HB PRO 21 5.290 14.321 5.239 147 HB3 PRO 21 2HB PRO 21 6.631 14.288 6.367 148 HG2 PRO 21 1HG PRO 21 5.888 12.297 4.311 149 HG3 PRO 21 2HG PRO 21 7.420 12.502 5.138 150 HD2 PRO 21 1HD PRO 21 5.440 10.494 5.664 151 HD3 PRO 21 2HD PRO 21 6.917 10.771 6.565 152 H ARG 22 H ARG 22 3.276 11.335 6.291 153 HA ARG 22 HA ARG 22 1.127 13.242 5.851 154 HB2 ARG 22 1HB ARG 22 2.091 10.858 4.387 155 HB3 ARG 22 2HB ARG 22 0.360 10.813 4.658 156 HG2 ARG 22 1HG ARG 22 -0.034 12.508 3.178 157 HG3 ARG 22 2HG ARG 22 1.274 13.487 3.811 158 HD2 ARG 22 1HD ARG 22 2.679 12.852 2.133 159 HD3 ARG 22 2HD ARG 22 2.344 11.153 2.402 160 HE ARG 22 HE ARG 22 0.057 11.940 1.138 161 HH11 ARG 22 1HH1 ARG 22 3.445 12.511 0.379 162 HH12 ARG 22 2HH1 ARG 22 3.178 12.608 -1.330 163 HH21 ARG 22 1HH2 ARG 22 -0.296 12.067 -1.116 164 HH22 ARG 22 2HH2 ARG 22 1.036 12.353 -2.186 165 H GLU 23 H GLU 23 2.100 11.685 8.384 166 HA GLU 23 HA GLU 23 0.462 9.646 9.027 167 HB2 GLU 23 1HB GLU 23 2.179 10.195 10.562 168 HB3 GLU 23 2HB GLU 23 1.688 11.874 10.668 169 HG2 GLU 23 1HG GLU 23 -0.373 11.234 11.882 170 HG3 GLU 23 2HG GLU 23 0.012 9.535 11.696 171 H GLY 24 H GLY 24 -1.727 9.401 9.105 172 HA2 GLY 24 1HA GLY 24 -3.763 10.122 10.183 173 HA3 GLY 24 2HA GLY 24 -3.339 11.780 9.806 174 H ASP 25 H ASP 25 -2.342 9.799 7.221 175 HA ASP 25 HA ASP 25 -4.728 10.583 5.767 176 HB2 ASP 25 1HB ASP 25 -1.858 9.995 5.012 177 HB3 ASP 25 2HB ASP 25 -3.100 9.809 3.790 178 H ALA 26 H ALA 26 -5.414 8.934 3.982 179 HA ALA 26 HA ALA 26 -4.611 6.208 4.420 180 HB1 ALA 26 1HB ALA 26 -6.633 5.368 5.269 181 HB2 ALA 26 2HB ALA 26 -6.408 6.871 6.196 182 HB3 ALA 26 3HB ALA 26 -7.541 6.833 4.824 183 H LEU 27 H LEU 27 -4.755 5.099 2.506 184 HA LEU 27 HA LEU 27 -6.346 6.399 0.404 185 HB2 LEU 27 1HB LEU 27 -3.787 4.842 0.037 186 HB3 LEU 27 2HB LEU 27 -4.696 5.693 -1.196 187 HG LEU 27 HG LEU 27 -3.821 7.375 1.073 188 HD11 LEU 27 1HD1 LEU 27 -1.892 5.862 0.882 189 HD12 LEU 27 2HD1 LEU 27 -1.765 6.252 -0.850 190 HD13 LEU 27 3HD1 LEU 27 -1.499 7.520 0.370 191 HD21 LEU 27 1HD2 LEU 27 -2.978 8.293 -1.501 192 HD22 LEU 27 2HD2 LEU 27 -4.647 7.687 -1.623 193 HD23 LEU 27 3HD2 LEU 27 -4.242 8.946 -0.431 194 H ASP 28 H ASP 28 -6.881 4.734 -1.424 195 HA ASP 28 HA ASP 28 -7.233 2.089 -0.344 196 HB2 ASP 28 1HB ASP 28 -9.285 3.587 0.205 197 HB3 ASP 28 2HB ASP 28 -9.601 3.604 -1.519 198 H TYR 29 H TYR 29 -7.502 0.509 -2.084 199 HA TYR 29 HA TYR 29 -7.695 1.543 -4.794 200 HB2 TYR 29 1HB TYR 29 -5.419 -0.149 -3.586 201 HB3 TYR 29 2HB TYR 29 -5.605 0.112 -5.309 202 HD1 TYR 29 HD2 TYR 29 -5.277 2.404 -6.269 203 HD2 TYR 29 HD1 TYR 29 -4.438 1.523 -2.167 204 HE1 TYR 29 HE2 TYR 29 -3.889 4.526 -6.090 205 HE2 TYR 29 HE1 TYR 29 -3.052 3.648 -2.002 206 HH TYR 29 HH TYR 29 -2.023 5.220 -3.197 207 H LYS 30 H LYS 30 -7.806 -0.347 -6.406 208 HA LYS 30 HA LYS 30 -9.605 -2.296 -5.270 209 HB2 LYS 30 1HB LYS 30 -8.904 -1.321 -8.005 210 HB3 LYS 30 2HB LYS 30 -9.541 -2.947 -7.862 211 HG2 LYS 30 1HG LYS 30 -11.545 -1.788 -8.020 212 HG3 LYS 30 2HG LYS 30 -11.346 -1.749 -6.279 213 HD2 LYS 30 1HD LYS 30 -9.871 0.474 -7.391 214 HD3 LYS 30 2HD LYS 30 -11.470 0.474 -8.109 215 HE2 LYS 30 1HE LYS 30 -12.379 0.167 -5.689 216 HE3 LYS 30 2HE LYS 30 -10.763 0.575 -5.148 217 HZ1 LYS 30 1HZ LYS 30 -12.742 2.253 -6.381 218 HZ2 LYS 30 2HZ LYS 30 -11.591 2.630 -5.285 219 HZ3 LYS 30 3HZ LYS 30 -11.206 2.520 -6.869 220 HA PRO 31 HA PRO 31 -6.801 -5.574 -5.177 221 HB2 PRO 31 1HB PRO 31 -8.317 -7.743 -5.858 222 HB3 PRO 31 2HB PRO 31 -8.349 -7.013 -4.265 223 HG2 PRO 31 1HG PRO 31 -10.355 -6.830 -6.429 224 HG3 PRO 31 2HG PRO 31 -10.546 -6.480 -4.722 225 HD2 PRO 31 1HD PRO 31 -10.269 -4.571 -6.845 226 HD3 PRO 31 2HD PRO 31 -10.343 -4.226 -5.128 227 H GLY 32 H GLY 32 -5.065 -6.184 -6.311 228 HA2 GLY 32 1HA GLY 32 -4.095 -7.246 -8.139 229 HA3 GLY 32 2HA GLY 32 -5.553 -7.004 -9.079 230 H SER 33 H SER 33 -4.653 -4.205 -7.239 231 HA SER 33 HA SER 33 -3.609 -3.037 -9.692 232 HB2 SER 33 1HB SER 33 -5.387 -2.065 -7.517 233 HB3 SER 33 2HB SER 33 -4.178 -0.904 -8.027 234 HG SER 33 HG SER 33 -5.375 -2.162 -10.199 235 H THR 34 H THR 34 -1.387 -2.978 -9.681 236 HA THR 34 HA THR 34 0.141 -3.172 -7.328 237 HB THR 34 HB THR 34 0.776 -2.327 -10.202 238 HG1 THR 34 HG1 THR 34 -0.029 -4.532 -9.734 239 HG21 THR 34 1HG2 THR 34 3.080 -2.565 -9.726 240 HG22 THR 34 2HG2 THR 34 2.508 -1.729 -8.262 241 HG23 THR 34 3HG2 THR 34 2.772 -3.489 -8.236 242 H ILE 35 H ILE 35 0.550 -1.737 -5.779 243 HA ILE 35 HA ILE 35 0.225 1.088 -6.498 244 HB ILE 35 HB ILE 35 -0.041 -0.335 -3.849 245 HG12 ILE 35 1HG1 ILE 35 -2.327 1.204 -4.755 246 HG13 ILE 35 2HG1 ILE 35 -1.876 0.006 -5.953 247 HG21 ILE 35 1HG2 ILE 35 -1.022 2.201 -3.483 248 HG22 ILE 35 2HG2 ILE 35 0.574 1.619 -2.953 249 HG23 ILE 35 3HG2 ILE 35 0.412 2.491 -4.496 250 HD11 ILE 35 1HD1 ILE 35 -1.793 -1.721 -4.070 251 HD12 ILE 35 2HD1 ILE 35 -2.507 -0.480 -3.011 252 HD13 ILE 35 3HD1 ILE 35 -3.410 -1.068 -4.428 253 H ARG 36 H ARG 36 2.265 1.608 -7.285 254 HA ARG 36 HA ARG 36 4.564 0.673 -5.940 255 HB2 ARG 36 1HB ARG 36 4.188 2.829 -8.080 256 HB3 ARG 36 2HB ARG 36 5.756 2.266 -7.533 257 HG2 ARG 36 1HG ARG 36 5.644 0.512 -8.961 258 HG3 ARG 36 2HG ARG 36 4.200 -0.069 -8.156 259 HD2 ARG 36 1HD ARG 36 2.797 0.764 -9.780 260 HD3 ARG 36 2HD ARG 36 3.708 2.251 -9.951 261 HE ARG 36 HE ARG 36 5.133 -0.082 -10.999 262 HH11 ARG 36 1HH1 ARG 36 2.771 2.418 -11.746 263 HH12 ARG 36 2HH1 ARG 36 3.028 2.329 -13.456 264 HH21 ARG 36 1HH2 ARG 36 5.472 -0.200 -13.256 265 HH22 ARG 36 2HH2 ARG 36 4.574 0.829 -14.321 266 H VAL 37 H VAL 37 5.311 1.518 -4.021 267 HA VAL 37 HA VAL 37 4.587 4.291 -3.412 268 HB VAL 37 HB VAL 37 5.587 2.139 -1.543 269 HG11 VAL 37 1HG1 VAL 37 5.667 3.805 -0.062 270 HG12 VAL 37 2HG1 VAL 37 5.019 4.954 -1.257 271 HG13 VAL 37 3HG1 VAL 37 3.908 4.004 -0.241 272 HG21 VAL 37 1HG2 VAL 37 3.090 2.089 -0.857 273 HG22 VAL 37 2HG2 VAL 37 2.788 2.786 -2.467 274 HG23 VAL 37 3HG2 VAL 37 3.588 1.203 -2.319 275 H GLY 38 H GLY 38 6.138 5.853 -3.323 276 HA2 GLY 38 1HA GLY 38 8.930 5.050 -2.970 277 HA3 GLY 38 2HA GLY 38 8.501 5.858 -4.464 278 H ARG 39 H ARG 39 9.665 7.786 -4.073 279 HA ARG 39 HA ARG 39 8.762 9.259 -1.734 280 HB2 ARG 39 1HB ARG 39 11.155 9.007 -1.649 281 HB3 ARG 39 2HB ARG 39 11.337 9.350 -3.358 282 HG2 ARG 39 1HG ARG 39 10.781 11.693 -3.042 283 HG3 ARG 39 2HG ARG 39 10.242 11.413 -1.398 284 HD2 ARG 39 1HD ARG 39 12.357 11.618 -0.579 285 HD3 ARG 39 2HD ARG 39 12.989 10.460 -1.732 286 HE ARG 39 HE ARG 39 12.402 13.045 -2.959 287 HH11 ARG 39 1HH1 ARG 39 14.804 11.224 -1.144 288 HH12 ARG 39 2HH1 ARG 39 16.135 12.188 -1.690 289 HH21 ARG 39 1HH2 ARG 39 14.158 14.318 -3.681 290 HH22 ARG 39 2HH2 ARG 39 15.765 13.960 -3.143 291 H ILE 40 H ILE 40 9.442 9.405 -5.273 292 HA ILE 40 HA ILE 40 8.280 12.063 -5.413 293 HB ILE 40 HB ILE 40 8.932 11.885 -7.809 294 HG12 ILE 40 1HG1 ILE 40 10.354 9.339 -6.992 295 HG13 ILE 40 2HG1 ILE 40 8.831 9.359 -7.859 296 HG21 ILE 40 1HG2 ILE 40 10.435 13.086 -6.517 297 HG22 ILE 40 2HG2 ILE 40 10.921 11.661 -5.566 298 HG23 ILE 40 3HG2 ILE 40 11.466 11.834 -7.252 299 HD11 ILE 40 1HD1 ILE 40 9.972 10.860 -9.607 300 HD12 ILE 40 2HD1 ILE 40 11.506 10.477 -8.789 301 HD13 ILE 40 3HD1 ILE 40 10.546 9.176 -9.532 302 H VAL 41 H VAL 41 6.352 12.560 -6.527 303 HA VAL 41 HA VAL 41 4.385 10.540 -6.385 304 HB VAL 41 HB VAL 41 2.963 12.303 -7.445 305 HG11 VAL 41 1HG1 VAL 41 2.806 13.597 -5.488 306 HG12 VAL 41 2HG1 VAL 41 3.491 12.049 -4.938 307 HG13 VAL 41 3HG1 VAL 41 4.549 13.465 -5.150 308 HG21 VAL 41 1HG2 VAL 41 4.567 14.586 -7.163 309 HG22 VAL 41 2HG2 VAL 41 5.571 13.424 -8.063 310 HG23 VAL 41 3HG2 VAL 41 3.962 13.875 -8.679 311 H ARG 42 H ARG 42 6.390 11.947 -9.002 312 HA ARG 42 HA ARG 42 4.927 10.642 -11.025 313 HB2 ARG 42 1HB ARG 42 7.590 12.100 -10.894 314 HB3 ARG 42 2HB ARG 42 7.144 11.238 -12.353 315 HG2 ARG 42 1HG ARG 42 5.999 13.104 -12.966 316 HG3 ARG 42 2HG ARG 42 4.815 12.666 -11.751 317 HD2 ARG 42 1HD ARG 42 5.364 14.479 -10.497 318 HD3 ARG 42 2HD ARG 42 7.038 13.967 -10.422 319 HE ARG 42 HE ARG 42 5.924 15.997 -12.189 320 HH11 ARG 42 1HH1 ARG 42 8.500 13.620 -11.873 321 HH12 ARG 42 2HH1 ARG 42 9.567 14.443 -12.961 322 HH21 ARG 42 1HH2 ARG 42 7.332 17.084 -13.624 323 HH22 ARG 42 2HH2 ARG 42 8.898 16.427 -13.964 324 H GLY 43 H GLY 43 5.069 8.492 -11.597 325 HA2 GLY 43 1HA GLY 43 6.484 6.690 -12.305 326 HA3 GLY 43 2HA GLY 43 7.599 7.082 -11.012 327 H ASN 44 H ASN 44 6.375 7.180 -8.697 328 HA ASN 44 HA ASN 44 5.136 4.581 -8.513 329 HB2 ASN 44 1HB ASN 44 5.734 6.307 -6.100 330 HB3 ASN 44 2HB ASN 44 5.844 4.565 -6.255 331 HD21 ASN 44 1HD2 ASN 44 7.387 7.623 -6.766 332 HD22 ASN 44 2HD2 ASN 44 8.971 7.052 -7.175 333 H GLU 45 H GLU 45 3.068 4.309 -7.351 334 HA GLU 45 HA GLU 45 1.229 6.307 -7.899 335 HB2 GLU 45 1HB GLU 45 1.135 3.800 -6.187 336 HB3 GLU 45 2HB GLU 45 -0.259 4.852 -6.329 337 HG2 GLU 45 1HG GLU 45 1.176 3.393 -8.591 338 HG3 GLU 45 2HG GLU 45 -0.452 3.098 -8.012 339 H ILE 46 H ILE 46 2.398 5.087 -4.669 340 HA ILE 46 HA ILE 46 1.465 7.588 -3.498 341 HB ILE 46 HB ILE 46 2.366 4.976 -2.284 342 HG12 ILE 46 1HG1 ILE 46 -0.388 6.236 -2.293 343 HG13 ILE 46 2HG1 ILE 46 0.136 5.061 -3.484 344 HG21 ILE 46 1HG2 ILE 46 2.987 6.909 -0.872 345 HG22 ILE 46 2HG2 ILE 46 1.285 7.429 -0.872 346 HG23 ILE 46 3HG2 ILE 46 1.741 5.877 -0.129 347 HD11 ILE 46 1HD1 ILE 46 0.692 3.467 -1.596 348 HD12 ILE 46 2HD1 ILE 46 -0.016 4.644 -0.465 349 HD13 ILE 46 3HD1 ILE 46 -1.036 3.878 -1.706 350 H ALA 47 H ALA 47 2.835 9.072 -2.487 351 HA ALA 47 HA ALA 47 5.698 8.463 -2.651 352 HB1 ALA 47 1HB ALA 47 6.110 10.159 -4.083 353 HB2 ALA 47 2HB ALA 47 4.364 10.142 -4.428 354 HB3 ALA 47 3HB ALA 47 5.020 11.265 -3.213 355 H ILE 48 H ILE 48 6.970 9.450 -1.005 356 HA ILE 48 HA ILE 48 5.474 10.991 0.974 357 HB ILE 48 HB ILE 48 7.027 8.460 1.491 358 HG12 ILE 48 1HG1 ILE 48 4.281 9.089 2.528 359 HG13 ILE 48 2HG1 ILE 48 4.470 8.579 0.862 360 HG21 ILE 48 1HG2 ILE 48 6.828 8.889 3.861 361 HG22 ILE 48 2HG2 ILE 48 7.712 10.224 3.083 362 HG23 ILE 48 3HG2 ILE 48 6.007 10.437 3.548 363 HD11 ILE 48 1HD1 ILE 48 4.103 6.758 2.723 364 HD12 ILE 48 2HD1 ILE 48 5.319 6.459 1.457 365 HD13 ILE 48 3HD1 ILE 48 5.830 7.012 3.070 366 H LYS 49 H LYS 49 6.526 12.865 1.329 367 HA LYS 49 HA LYS 49 9.293 13.036 0.487 368 HB2 LYS 49 1HB LYS 49 7.235 15.099 1.309 369 HB3 LYS 49 2HB LYS 49 8.906 15.497 0.964 370 HG2 LYS 49 1HG LYS 49 7.809 13.791 -1.148 371 HG3 LYS 49 2HG LYS 49 6.792 15.199 -0.911 372 HD2 LYS 49 1HD LYS 49 8.469 15.818 -2.537 373 HD3 LYS 49 2HD LYS 49 8.876 16.652 -1.051 374 HE2 LYS 49 1HE LYS 49 10.297 14.362 -0.649 375 HE3 LYS 49 2HE LYS 49 10.293 14.374 -2.402 376 HZ1 LYS 49 1HZ LYS 49 11.927 15.824 -2.226 377 HZ2 LYS 49 2HZ LYS 49 10.853 16.934 -1.697 378 HZ3 LYS 49 3HZ LYS 49 11.706 16.046 -0.624 379 H ASP 50 H ASP 50 9.835 11.432 2.299 380 HA ASP 50 HA ASP 50 10.153 12.956 4.765 381 HB2 ASP 50 1HB ASP 50 8.842 11.131 5.427 382 HB3 ASP 50 2HB ASP 50 9.518 10.068 4.209 383 H ALA 51 H ALA 51 11.677 11.832 1.994 384 HA ALA 51 HA ALA 51 13.842 11.826 1.441 385 HB1 ALA 51 1HB ALA 51 15.335 12.840 2.810 386 HB2 ALA 51 2HB ALA 51 13.942 13.107 3.886 387 HB3 ALA 51 3HB ALA 51 15.015 11.710 4.147 388 H GLY 52 H GLY 52 13.479 10.007 4.575 389 HA2 GLY 52 1HA GLY 52 15.117 7.921 4.199 390 HA3 GLY 52 2HA GLY 52 13.539 7.771 4.946 391 H ILE 53 H ILE 53 12.122 8.593 2.382 392 HA ILE 53 HA ILE 53 12.250 5.955 1.156 393 HB ILE 53 HB ILE 53 10.226 8.181 0.888 394 HG12 ILE 53 1HG1 ILE 53 9.327 5.749 2.201 395 HG13 ILE 53 2HG1 ILE 53 10.685 6.456 3.054 396 HG21 ILE 53 1HG2 ILE 53 10.244 5.341 -0.160 397 HG22 ILE 53 2HG2 ILE 53 8.801 6.381 -0.100 398 HG23 ILE 53 3HG2 ILE 53 10.195 6.851 -1.101 399 HD11 ILE 53 1HD1 ILE 53 7.969 7.325 3.085 400 HD12 ILE 53 2HD1 ILE 53 9.363 8.096 3.879 401 HD13 ILE 53 3HD1 ILE 53 8.895 8.584 2.233 402 H SER 54 H SER 54 12.733 5.605 -1.022 403 HA SER 54 HA SER 54 13.909 7.940 -2.306 404 HB2 SER 54 1HB SER 54 14.707 5.102 -2.073 405 HB3 SER 54 2HB SER 54 14.801 5.705 -3.716 406 HG SER 54 HG SER 54 16.786 6.040 -2.488 407 H THR 55 H THR 55 13.761 7.910 -4.793 408 HA THR 55 HA THR 55 11.241 8.070 -5.697 409 HB THR 55 HB THR 55 12.381 7.486 -7.987 410 HG1 THR 55 HG1 THR 55 14.294 6.449 -7.587 411 HG21 THR 55 1HG2 THR 55 14.239 9.392 -6.666 412 HG22 THR 55 2HG2 THR 55 13.177 9.645 -8.071 413 HG23 THR 55 3HG2 THR 55 12.522 9.792 -6.423 414 H LYS 56 H LYS 56 13.244 5.102 -6.312 415 HA LYS 56 HA LYS 56 10.697 3.653 -6.456 416 HB2 LYS 56 1HB LYS 56 13.220 3.530 -7.993 417 HB3 LYS 56 2HB LYS 56 12.558 1.971 -7.544 418 HG2 LYS 56 1HG LYS 56 11.198 2.206 -9.357 419 HG3 LYS 56 2HG LYS 56 10.277 3.322 -8.369 420 HD2 LYS 56 1HD LYS 56 12.444 4.859 -9.361 421 HD3 LYS 56 2HD LYS 56 11.943 3.871 -10.718 422 HE2 LYS 56 1HE LYS 56 9.489 4.617 -9.970 423 HE3 LYS 56 2HE LYS 56 10.343 5.928 -9.181 424 HZ1 LYS 56 1HZ LYS 56 10.254 6.859 -11.176 425 HZ2 LYS 56 2HZ LYS 56 11.478 5.865 -11.601 426 HZ3 LYS 56 3HZ LYS 56 9.937 5.463 -11.962 427 H HIS 57 H HIS 57 10.797 3.832 -3.999 428 HA HIS 57 HA HIS 57 12.836 2.423 -2.654 429 HB2 HIS 57 1HB HIS 57 11.513 4.218 -1.626 430 HB3 HIS 57 2HB HIS 57 10.061 3.246 -1.753 431 HD2 HIS 57 HD2 HIS 57 11.143 0.422 -0.470 432 HE1 HIS 57 HE1 HIS 57 12.287 2.803 2.866 433 HE2 HIS 57 HE2 HIS 57 11.743 0.424 2.006 434 H LEU 58 H LEU 58 9.312 1.630 -3.114 435 HA LEU 58 HA LEU 58 10.007 -1.083 -3.741 436 HB2 LEU 58 1HB LEU 58 8.642 -2.030 -1.889 437 HB3 LEU 58 2HB LEU 58 10.185 -1.347 -1.414 438 HG LEU 58 HG LEU 58 9.161 0.557 -0.419 439 HD11 LEU 58 1HD1 LEU 58 6.644 0.842 -0.470 440 HD12 LEU 58 2HD1 LEU 58 7.509 1.194 -1.986 441 HD13 LEU 58 3HD1 LEU 58 6.627 -0.341 -1.800 442 HD21 LEU 58 1HD2 LEU 58 9.019 -0.983 1.236 443 HD22 LEU 58 2HD2 LEU 58 7.276 -0.707 1.004 444 HD23 LEU 58 3HD2 LEU 58 8.061 -2.120 0.257 445 H ARG 59 H ARG 59 7.814 -2.379 -4.000 446 HA ARG 59 HA ARG 59 5.780 -0.506 -4.879 447 HB2 ARG 59 1HB ARG 59 5.532 -1.578 -7.013 448 HB3 ARG 59 2HB ARG 59 7.260 -1.367 -6.813 449 HG2 ARG 59 1HG ARG 59 7.233 -3.774 -5.775 450 HG3 ARG 59 2HG ARG 59 5.634 -3.916 -6.479 451 HD2 ARG 59 1HD ARG 59 6.437 -3.961 -8.658 452 HD3 ARG 59 2HD ARG 59 7.768 -2.876 -8.310 453 HE ARG 59 HE ARG 59 8.242 -5.303 -6.890 454 HH11 ARG 59 1HH1 ARG 59 8.090 -4.146 -10.210 455 HH12 ARG 59 2HH1 ARG 59 9.197 -5.335 -10.810 456 HH21 ARG 59 1HH2 ARG 59 9.703 -6.871 -7.681 457 HH22 ARG 59 2HH2 ARG 59 10.121 -6.896 -9.361 458 H ILE 60 H ILE 60 3.613 -1.286 -4.631 459 HA ILE 60 HA ILE 60 3.451 -3.816 -3.158 460 HB ILE 60 HB ILE 60 1.742 -1.333 -3.128 461 HG12 ILE 60 1HG1 ILE 60 3.324 -2.712 -0.939 462 HG13 ILE 60 2HG1 ILE 60 3.854 -1.294 -1.822 463 HG21 ILE 60 1HG2 ILE 60 1.177 -3.774 -1.461 464 HG22 ILE 60 2HG2 ILE 60 0.130 -2.379 -1.817 465 HG23 ILE 60 3HG2 ILE 60 0.473 -3.581 -3.084 466 HD11 ILE 60 1HD1 ILE 60 2.506 -1.127 0.517 467 HD12 ILE 60 2HD1 ILE 60 2.363 0.113 -0.753 468 HD13 ILE 60 3HD1 ILE 60 1.119 -1.151 -0.599 469 H GLU 61 H GLU 61 2.049 -5.447 -3.826 470 HA GLU 61 HA GLU 61 0.293 -4.896 -6.018 471 HB2 GLU 61 1HB GLU 61 1.247 -6.686 -7.470 472 HB3 GLU 61 2HB GLU 61 2.356 -5.348 -7.246 473 HG2 GLU 61 1HG GLU 61 3.863 -6.989 -6.712 474 HG3 GLU 61 2HG GLU 61 3.104 -6.926 -5.134 475 H SER 62 H SER 62 -0.964 -7.017 -6.610 476 HA SER 62 HA SER 62 -1.152 -8.634 -4.190 477 HB2 SER 62 1HB SER 62 -3.158 -7.517 -3.988 478 HB3 SER 62 2HB SER 62 -3.250 -7.139 -5.697 479 HG SER 62 HG SER 62 -4.323 -9.294 -4.293 480 H ASP 63 H ASP 63 -1.479 -10.891 -4.511 481 HA ASP 63 HA ASP 63 -1.816 -11.751 -7.247 482 HB2 ASP 63 1HB ASP 63 0.569 -11.824 -7.113 483 HB3 ASP 63 2HB ASP 63 0.548 -12.374 -5.450 484 H SER 64 H SER 64 -2.324 -14.197 -7.284 485 HA SER 64 HA SER 64 -3.755 -15.722 -6.621 486 HB2 SER 64 1HB SER 64 -1.345 -15.980 -5.265 487 HB3 SER 64 2HB SER 64 -2.506 -16.094 -3.957 488 HG SER 64 HG SER 64 -3.645 -17.702 -5.481 489 H GLY 65 H GLY 65 -5.170 -13.512 -6.290 490 HA2 GLY 65 1HA GLY 65 -6.702 -12.380 -5.076 491 HA3 GLY 65 2HA GLY 65 -7.102 -13.968 -4.452 492 H ASN 66 H ASN 66 -4.102 -11.985 -3.985 493 HA ASN 66 HA ASN 66 -4.880 -11.456 -1.283 494 HB2 ASN 66 1HB ASN 66 -2.651 -13.381 -2.030 495 HB3 ASN 66 2HB ASN 66 -2.477 -12.401 -0.587 496 HD21 ASN 66 1HD2 ASN 66 -3.067 -15.346 -1.321 497 HD22 ASN 66 2HD2 ASN 66 -4.344 -15.810 -0.246 498 H TRP 67 H TRP 67 -2.972 -10.114 -0.198 499 HA TRP 67 HA TRP 67 -1.789 -8.452 -2.307 500 HB2 TRP 67 1HB TRP 67 -2.569 -7.848 0.546 501 HB3 TRP 67 2HB TRP 67 -1.590 -6.772 -0.431 502 HD1 TRP 67 HD1 TRP 67 -5.209 -7.939 -0.020 503 HE1 TRP 67 HE1 TRP 67 -6.871 -6.494 -1.473 504 HE3 TRP 67 HE3 TRP 67 -1.610 -5.464 -2.624 505 HZ2 TRP 67 HZ2 TRP 67 -6.503 -4.523 -3.503 506 HZ3 TRP 67 HZ3 TRP 67 -2.347 -3.795 -4.324 507 HH2 TRP 67 HH2 TRP 67 -4.698 -3.309 -4.781 508 H VAL 68 H VAL 68 0.466 -7.903 -2.150 509 HA VAL 68 HA VAL 68 1.976 -9.250 -0.058 510 HB VAL 68 HB VAL 68 3.342 -10.467 -1.499 511 HG11 VAL 68 1HG1 VAL 68 0.528 -10.678 -2.624 512 HG12 VAL 68 2HG1 VAL 68 1.812 -11.897 -2.805 513 HG13 VAL 68 3HG1 VAL 68 1.159 -11.524 -1.191 514 HG21 VAL 68 1HG2 VAL 68 2.623 -8.431 -3.437 515 HG22 VAL 68 2HG2 VAL 68 4.020 -9.534 -3.411 516 HG23 VAL 68 3HG2 VAL 68 2.484 -10.060 -4.141 517 H ILE 69 H ILE 69 4.204 -8.399 0.113 518 HA ILE 69 HA ILE 69 4.473 -5.799 -1.224 519 HB ILE 69 HB ILE 69 3.675 -5.515 1.079 520 HG12 ILE 69 1HG1 ILE 69 6.425 -4.506 1.352 521 HG13 ILE 69 2HG1 ILE 69 5.707 -4.171 -0.211 522 HG21 ILE 69 1HG2 ILE 69 5.348 -6.017 2.929 523 HG22 ILE 69 2HG2 ILE 69 4.472 -7.404 2.238 524 HG23 ILE 69 3HG2 ILE 69 6.159 -7.090 1.764 525 HD11 ILE 69 1HD1 ILE 69 3.587 -3.531 1.369 526 HD12 ILE 69 2HD1 ILE 69 4.918 -3.175 2.497 527 HD13 ILE 69 3HD1 ILE 69 4.846 -2.356 0.918 528 H GLN 70 H GLN 70 6.592 -5.212 -1.836 529 HA GLN 70 HA GLN 70 8.654 -7.139 -1.208 530 HB2 GLN 70 1HB GLN 70 7.809 -8.001 -3.308 531 HB3 GLN 70 2HB GLN 70 7.771 -6.404 -4.027 532 HG2 GLN 70 1HG GLN 70 10.237 -6.253 -3.926 533 HG3 GLN 70 2HG GLN 70 10.326 -7.785 -3.080 534 HE21 GLN 70 1HE2 GLN 70 11.493 -8.873 -4.568 535 HE22 GLN 70 2HE2 GLN 70 10.928 -9.312 -6.146 536 H ASP 71 H ASP 71 10.542 -6.100 -0.685 537 HA ASP 71 HA ASP 71 10.562 -3.263 -0.977 538 HB2 ASP 71 1HB ASP 71 11.451 -3.946 1.088 539 HB3 ASP 71 2HB ASP 71 12.252 -5.344 0.401 540 H LEU 72 H LEU 72 11.262 -2.406 -2.944 541 HA LEU 72 HA LEU 72 12.893 -3.952 -4.702 542 HB2 LEU 72 1HB LEU 72 11.817 -1.135 -4.795 543 HB3 LEU 72 2HB LEU 72 12.807 -1.828 -6.065 544 HG LEU 72 HG LEU 72 11.150 -3.268 -6.785 545 HD11 LEU 72 1HD1 LEU 72 10.732 -4.400 -4.679 546 HD12 LEU 72 2HD1 LEU 72 9.799 -3.006 -4.085 547 HD13 LEU 72 3HD1 LEU 72 9.193 -3.961 -5.459 548 HD21 LEU 72 1HD2 LEU 72 9.139 -1.988 -7.084 549 HD22 LEU 72 2HD2 LEU 72 9.512 -0.980 -5.665 550 HD23 LEU 72 3HD2 LEU 72 10.532 -0.880 -7.120 551 H GLY 73 H GLY 73 14.429 -4.076 -2.585 552 HA2 GLY 73 1HA GLY 73 16.287 -3.303 -1.493 553 HA3 GLY 73 2HA GLY 73 16.886 -3.314 -3.140 554 H SER 74 H SER 74 14.657 -1.165 -1.217 555 HA SER 74 HA SER 74 15.206 1.123 -2.548 556 HB2 SER 74 1HB SER 74 13.434 1.238 -1.011 557 HB3 SER 74 2HB SER 74 14.364 0.509 0.283 558 HG SER 74 HG SER 74 14.007 3.156 -0.277 559 H SER 75 H SER 75 16.437 0.792 0.834 560 HA SER 75 HA SER 75 19.131 1.041 0.030 561 HB2 SER 75 1HB SER 75 17.579 3.484 0.699 562 HB3 SER 75 2HB SER 75 19.076 3.325 1.595 563 HG SER 75 HG SER 75 19.309 2.747 -1.151 564 H ASN 76 H ASN 76 16.950 2.064 2.770 565 HA ASN 76 HA ASN 76 18.760 0.889 4.630 566 HB2 ASN 76 1HB ASN 76 15.952 2.035 5.070 567 HB3 ASN 76 2HB ASN 76 17.122 1.697 6.331 568 HD21 ASN 76 1HD2 ASN 76 15.860 4.006 4.320 569 HD22 ASN 76 2HD2 ASN 76 17.094 5.219 4.398 570 H GLY 77 H GLY 77 15.398 0.362 3.370 571 HA2 GLY 77 1HA GLY 77 14.916 -2.042 2.945 572 HA3 GLY 77 2HA GLY 77 15.422 -2.330 4.598 573 H THR 78 H THR 78 12.884 -3.139 3.868 574 HA THR 78 HA THR 78 11.152 -1.059 5.033 575 HB THR 78 HB THR 78 10.421 -3.390 3.185 576 HG1 THR 78 HG1 THR 78 11.329 -1.965 1.750 577 HG21 THR 78 1HG2 THR 78 8.265 -2.562 3.206 578 HG22 THR 78 2HG2 THR 78 8.738 -1.866 4.775 579 HG23 THR 78 3HG2 THR 78 8.823 -0.874 3.299 580 H LEU 79 H LEU 79 9.883 -1.515 6.793 581 HA LEU 79 HA LEU 79 10.409 -4.144 7.990 582 HB2 LEU 79 1HB LEU 79 10.132 -1.391 9.116 583 HB3 LEU 79 2HB LEU 79 9.632 -2.757 10.093 584 HG LEU 79 HG LEU 79 12.389 -2.463 8.872 585 HD11 LEU 79 1HD1 LEU 79 12.934 -2.112 11.422 586 HD12 LEU 79 2HD1 LEU 79 12.440 -0.748 10.392 587 HD13 LEU 79 3HD1 LEU 79 11.257 -1.518 11.476 588 HD21 LEU 79 1HD2 LEU 79 11.239 -4.765 9.647 589 HD22 LEU 79 2HD2 LEU 79 12.978 -4.429 9.822 590 HD23 LEU 79 3HD2 LEU 79 11.887 -4.218 11.212 591 H LEU 80 H LEU 80 8.673 -5.359 8.828 592 HA LEU 80 HA LEU 80 6.021 -4.273 8.198 593 HB2 LEU 80 1HB LEU 80 6.841 -5.875 6.470 594 HB3 LEU 80 2HB LEU 80 6.925 -7.113 7.708 595 HG LEU 80 HG LEU 80 4.488 -6.911 8.077 596 HD11 LEU 80 1HD1 LEU 80 4.825 -4.595 6.298 597 HD12 LEU 80 2HD1 LEU 80 3.450 -5.647 5.883 598 HD13 LEU 80 3HD1 LEU 80 3.574 -4.946 7.515 599 HD21 LEU 80 1HD2 LEU 80 5.467 -7.536 5.288 600 HD22 LEU 80 2HD2 LEU 80 5.153 -8.657 6.635 601 HD23 LEU 80 3HD2 LEU 80 3.796 -7.842 5.820 602 H ASN 81 H ASN 81 5.111 -3.884 10.151 603 HA ASN 81 HA ASN 81 4.314 -4.236 12.137 604 HB2 ASN 81 1HB ASN 81 4.999 -7.158 11.542 605 HB3 ASN 81 2HB ASN 81 4.181 -6.669 13.013 606 HD21 ASN 81 1HD2 ASN 81 3.817 -7.650 9.859 607 HD22 ASN 81 2HD2 ASN 81 2.166 -7.210 9.572 608 H SER 82 H SER 82 6.814 -6.886 12.105 609 HA SER 82 HA SER 82 8.614 -5.279 13.622 610 HB2 SER 82 1HB SER 82 6.771 -7.074 14.972 611 HB3 SER 82 2HB SER 82 8.409 -7.658 15.189 612 HG SER 82 HG SER 82 8.812 -5.196 15.683 613 H ASN 83 H ASN 83 8.971 -6.264 11.085 614 HA ASN 83 HA ASN 83 11.122 -8.075 11.524 615 HB2 ASN 83 1HB ASN 83 8.533 -9.016 10.461 616 HB3 ASN 83 2HB ASN 83 9.832 -9.301 9.320 617 HD21 ASN 83 1HD2 ASN 83 8.905 -9.679 12.717 618 HD22 ASN 83 2HD2 ASN 83 9.784 -11.137 13.034 619 H ALA 84 H ALA 84 12.702 -7.757 9.861 620 HA ALA 84 HA ALA 84 12.147 -5.581 8.054 621 HB1 ALA 84 1HB ALA 84 14.451 -6.855 9.305 622 HB2 ALA 84 2HB ALA 84 14.712 -6.624 7.559 623 HB3 ALA 84 3HB ALA 84 14.304 -5.232 8.591 624 H LEU 85 H LEU 85 11.499 -5.797 5.969 625 HA LEU 85 HA LEU 85 11.097 -8.415 4.923 626 HB2 LEU 85 1HB LEU 85 10.813 -5.738 3.556 627 HB3 LEU 85 2HB LEU 85 10.141 -7.266 3.025 628 HG LEU 85 HG LEU 85 9.389 -5.907 5.625 629 HD11 LEU 85 1HD1 LEU 85 8.840 -4.644 3.452 630 HD12 LEU 85 2HD1 LEU 85 7.670 -5.951 3.150 631 HD13 LEU 85 3HD1 LEU 85 7.521 -4.943 4.610 632 HD21 LEU 85 1HD2 LEU 85 7.925 -7.585 6.025 633 HD22 LEU 85 2HD2 LEU 85 7.604 -7.873 4.298 634 HD23 LEU 85 3HD2 LEU 85 9.087 -8.512 5.046 635 H ASP 86 H ASP 86 11.836 -8.843 2.530 636 HA ASP 86 HA ASP 86 14.619 -7.999 2.334 637 HB2 ASP 86 1HB ASP 86 13.723 -10.592 2.884 638 HB3 ASP 86 2HB ASP 86 13.967 -10.636 1.149 639 HA PRO 87 HA PRO 87 13.447 -7.144 -1.806 640 HB2 PRO 87 1HB PRO 87 15.862 -7.162 -3.085 641 HB3 PRO 87 2HB PRO 87 15.286 -5.801 -2.144 642 HG2 PRO 87 1HG PRO 87 17.348 -7.800 -1.442 643 HG3 PRO 87 2HG PRO 87 17.061 -6.224 -0.732 644 HD2 PRO 87 1HD PRO 87 16.342 -8.766 0.385 645 HD3 PRO 87 2HD PRO 87 15.953 -7.187 1.038 646 H GLU 88 H GLU 88 15.494 -9.937 -1.345 647 HA GLU 88 HA GLU 88 14.466 -11.017 -3.816 648 HB2 GLU 88 1HB GLU 88 16.548 -12.046 -1.841 649 HB3 GLU 88 2HB GLU 88 16.073 -12.912 -3.289 650 HG2 GLU 88 1HG GLU 88 16.649 -10.697 -4.565 651 HG3 GLU 88 2HG GLU 88 17.473 -10.220 -3.094 652 H THR 89 H THR 89 12.571 -10.549 -1.657 653 HA THR 89 HA THR 89 11.467 -13.195 -1.507 654 HB THR 89 HB THR 89 12.296 -11.732 1.055 655 HG1 THR 89 HG1 THR 89 13.118 -14.211 -0.290 656 HG21 THR 89 1HG2 THR 89 10.181 -13.263 1.085 657 HG22 THR 89 2HG2 THR 89 11.303 -14.597 0.725 658 HG23 THR 89 3HG2 THR 89 11.483 -13.665 2.230 659 H SER 90 H SER 90 9.236 -13.201 -1.088 660 HA SER 90 HA SER 90 8.130 -10.502 -0.977 661 HB2 SER 90 1HB SER 90 6.219 -11.391 -2.337 662 HB3 SER 90 2HB SER 90 7.749 -11.430 -3.191 663 HG SER 90 HG SER 90 6.787 -13.437 -3.530 664 H VAL 91 H VAL 91 6.629 -10.115 0.648 665 HA VAL 91 HA VAL 91 5.788 -12.474 2.185 666 HB VAL 91 HB VAL 91 6.101 -9.627 3.149 667 HG11 VAL 91 1HG1 VAL 91 4.554 -11.421 4.299 668 HG12 VAL 91 2HG1 VAL 91 6.099 -12.062 4.908 669 HG13 VAL 91 3HG1 VAL 91 5.622 -10.387 5.278 670 HG21 VAL 91 1HG2 VAL 91 8.215 -10.203 4.091 671 HG22 VAL 91 2HG2 VAL 91 8.019 -11.918 3.658 672 HG23 VAL 91 3HG2 VAL 91 8.263 -10.700 2.383 673 H ASN 92 H ASN 92 3.595 -12.532 2.959 674 HA ASN 92 HA ASN 92 1.852 -11.129 1.159 675 HB2 ASN 92 1HB ASN 92 0.101 -12.643 2.065 676 HB3 ASN 92 2HB ASN 92 1.515 -13.568 1.598 677 HD21 ASN 92 1HD2 ASN 92 2.948 -14.345 3.179 678 HD22 ASN 92 2HD2 ASN 92 2.467 -14.580 4.826 679 H LEU 93 H LEU 93 0.754 -9.262 1.801 680 HA LEU 93 HA LEU 93 1.169 -8.189 4.369 681 HB2 LEU 93 1HB LEU 93 -0.568 -7.449 2.028 682 HB3 LEU 93 2HB LEU 93 -0.630 -6.555 3.533 683 HG LEU 93 HG LEU 93 1.930 -6.969 1.974 684 HD11 LEU 93 1HD1 LEU 93 -0.317 -5.141 1.461 685 HD12 LEU 93 2HD1 LEU 93 1.272 -4.347 1.571 686 HD13 LEU 93 3HD1 LEU 93 1.013 -5.664 0.401 687 HD21 LEU 93 1HD2 LEU 93 2.417 -4.758 3.300 688 HD22 LEU 93 2HD2 LEU 93 1.141 -5.368 4.381 689 HD23 LEU 93 3HD2 LEU 93 2.598 -6.346 4.083 690 H GLY 94 H GLY 94 -0.853 -7.355 5.687 691 HA2 GLY 94 1HA GLY 94 -3.080 -9.207 5.709 692 HA3 GLY 94 2HA GLY 94 -1.983 -9.365 7.066 693 H ASP 95 H ASP 95 -4.808 -8.460 7.083 694 HA ASP 95 HA ASP 95 -4.965 -5.711 7.253 695 HB2 ASP 95 1HB ASP 95 -6.841 -7.503 7.216 696 HB3 ASP 95 2HB ASP 95 -6.573 -7.676 8.939 697 H GLY 96 H GLY 96 -3.629 -4.522 8.645 698 HA2 GLY 96 1HA GLY 96 -3.460 -3.761 10.922 699 HA3 GLY 96 2HA GLY 96 -3.481 -5.430 11.454 700 H ASP 97 H ASP 97 -1.714 -4.859 8.496 701 HA ASP 97 HA ASP 97 0.705 -5.477 9.903 702 HB2 ASP 97 1HB ASP 97 0.007 -5.133 6.954 703 HB3 ASP 97 2HB ASP 97 1.642 -5.453 7.495 704 H VAL 98 H VAL 98 2.126 -3.852 10.555 705 HA VAL 98 HA VAL 98 1.700 -1.184 9.464 706 HB VAL 98 HB VAL 98 2.900 -2.348 11.941 707 HG11 VAL 98 1HG1 VAL 98 3.540 0.280 12.245 708 HG12 VAL 98 2HG1 VAL 98 4.690 -0.980 11.738 709 HG13 VAL 98 3HG1 VAL 98 3.901 0.048 10.518 710 HG21 VAL 98 1HG2 VAL 98 0.815 -0.298 11.234 711 HG22 VAL 98 2HG2 VAL 98 0.698 -1.714 12.306 712 HG23 VAL 98 3HG2 VAL 98 1.590 -0.267 12.836 713 H ILE 99 H ILE 99 2.932 -0.492 7.801 714 HA ILE 99 HA ILE 99 5.444 -1.904 7.327 715 HB ILE 99 HB ILE 99 3.926 -0.022 5.519 716 HG12 ILE 99 1HG1 ILE 99 3.910 -3.043 5.378 717 HG13 ILE 99 2HG1 ILE 99 2.682 -2.137 6.239 718 HG21 ILE 99 1HG2 ILE 99 5.907 -2.095 4.630 719 HG22 ILE 99 2HG2 ILE 99 5.382 -0.599 3.822 720 HG23 ILE 99 3HG2 ILE 99 6.469 -0.516 5.229 721 HD11 ILE 99 1HD1 ILE 99 2.878 -0.803 3.770 722 HD12 ILE 99 2HD1 ILE 99 3.015 -2.528 3.353 723 HD13 ILE 99 3HD1 ILE 99 1.598 -1.940 4.256 724 H LYS 100 H LYS 100 7.187 -1.030 8.309 725 HA LYS 100 HA LYS 100 7.207 1.874 8.657 726 HB2 LYS 100 1HB LYS 100 8.383 -0.437 10.132 727 HB3 LYS 100 2HB LYS 100 9.311 1.049 10.106 728 HG2 LYS 100 1HG LYS 100 7.708 2.248 11.305 729 HG3 LYS 100 2HG LYS 100 6.371 1.302 10.682 730 HD2 LYS 100 1HD LYS 100 6.381 0.196 12.668 731 HD3 LYS 100 2HD LYS 100 7.844 -0.595 12.116 732 HE2 LYS 100 1HE LYS 100 9.246 1.130 13.170 733 HE3 LYS 100 2HE LYS 100 7.835 2.083 13.585 734 HZ1 LYS 100 1HZ LYS 100 7.767 -0.624 14.522 735 HZ2 LYS 100 2HZ LYS 100 8.943 0.293 15.189 736 HZ3 LYS 100 3HZ LYS 100 7.382 0.759 15.300 737 H LEU 101 H LEU 101 8.021 2.876 6.878 738 HA LEU 101 HA LEU 101 10.562 1.807 5.870 739 HB2 LEU 101 1HB LEU 101 9.948 2.235 3.646 740 HB3 LEU 101 2HB LEU 101 8.643 1.312 4.364 741 HG LEU 101 HG LEU 101 8.420 4.300 4.314 742 HD11 LEU 101 1HD1 LEU 101 7.739 4.441 2.087 743 HD12 LEU 101 2HD1 LEU 101 9.194 3.417 2.024 744 HD13 LEU 101 3HD1 LEU 101 7.579 2.676 1.920 745 HD21 LEU 101 1HD2 LEU 101 6.678 1.983 4.733 746 HD22 LEU 101 2HD2 LEU 101 6.494 3.675 5.255 747 HD23 LEU 101 3HD2 LEU 101 5.999 3.191 3.615 748 H GLY 102 H GLY 102 11.716 3.642 4.522 749 HA2 GLY 102 1HA GLY 102 12.660 5.684 4.496 750 HA3 GLY 102 2HA GLY 102 11.168 6.339 5.138 751 H GLU 103 H GLU 103 11.635 7.567 6.913 752 HA GLU 103 HA GLU 103 13.656 6.505 8.718 753 HB2 GLU 103 1HB GLU 103 12.546 9.342 8.577 754 HB3 GLU 103 2HB GLU 103 13.907 8.806 9.543 755 HG2 GLU 103 1HG GLU 103 14.837 7.965 7.170 756 HG3 GLU 103 2HG GLU 103 13.731 9.176 6.551 757 H TYR 104 H TYR 104 10.579 8.453 8.867 758 HA TYR 104 HA TYR 104 9.782 6.767 11.134 759 HB2 TYR 104 1HB TYR 104 9.803 9.816 10.732 760 HB3 TYR 104 2HB TYR 104 8.796 9.073 11.959 761 HD1 TYR 104 HD2 TYR 104 9.888 7.792 13.848 762 HD2 TYR 104 HD1 TYR 104 12.133 10.176 11.095 763 HE1 TYR 104 HE2 TYR 104 11.845 7.836 15.471 764 HE2 TYR 104 HE1 TYR 104 14.082 10.212 12.727 765 HH TYR 104 HH TYR 104 14.886 8.638 14.603 766 H THR 105 H THR 105 8.940 6.176 8.570 767 HA THR 105 HA THR 105 6.224 7.319 8.508 768 HB THR 105 HB THR 105 8.194 6.489 6.341 769 HG1 THR 105 HG1 THR 105 7.827 8.733 7.286 770 HG21 THR 105 1HG2 THR 105 6.452 5.667 5.095 771 HG22 THR 105 2HG2 THR 105 5.258 6.168 6.316 772 HG23 THR 105 3HG2 THR 105 5.819 7.330 5.090 773 H SER 106 H SER 106 4.619 5.999 9.067 774 HA SER 106 HA SER 106 5.163 3.149 8.756 775 HB2 SER 106 1HB SER 106 3.415 4.439 10.896 776 HB3 SER 106 2HB SER 106 3.805 2.735 10.762 777 HG SER 106 HG SER 106 5.913 3.112 11.390 778 H ILE 107 H ILE 107 3.555 1.916 7.729 779 HA ILE 107 HA ILE 107 1.093 3.363 7.049 780 HB ILE 107 HB ILE 107 2.622 1.523 5.209 781 HG12 ILE 107 1HG1 ILE 107 2.552 4.551 5.310 782 HG13 ILE 107 2HG1 ILE 107 3.946 3.520 5.561 783 HG21 ILE 107 1HG2 ILE 107 0.947 3.056 3.676 784 HG22 ILE 107 2HG2 ILE 107 0.614 1.397 4.228 785 HG23 ILE 107 3HG2 ILE 107 -0.031 2.784 5.139 786 HD11 ILE 107 1HD1 ILE 107 4.239 4.084 3.317 787 HD12 ILE 107 2HD1 ILE 107 3.300 2.581 3.145 788 HD13 ILE 107 3HD1 ILE 107 2.489 4.159 3.001 789 H LEU 108 H LEU 108 -0.787 2.264 7.435 790 HA LEU 108 HA LEU 108 -0.448 -0.446 8.484 791 HB2 LEU 108 1HB LEU 108 -1.461 0.735 10.142 792 HB3 LEU 108 2HB LEU 108 -2.284 1.820 9.039 793 HG LEU 108 HG LEU 108 -3.874 0.000 8.460 794 HD11 LEU 108 1HD1 LEU 108 -3.300 -2.105 8.875 795 HD12 LEU 108 2HD1 LEU 108 -1.967 -1.599 9.940 796 HD13 LEU 108 3HD1 LEU 108 -3.610 -1.783 10.598 797 HD21 LEU 108 1HD2 LEU 108 -3.839 0.397 11.451 798 HD22 LEU 108 2HD2 LEU 108 -4.209 1.720 10.319 799 HD23 LEU 108 3HD2 LEU 108 -5.235 0.266 10.354 800 H VAL 109 H VAL 109 -1.637 -2.198 7.668 801 HA VAL 109 HA VAL 109 -2.858 -1.645 5.058 802 HB VAL 109 HB VAL 109 -1.534 -4.101 6.217 803 HG11 VAL 109 1HG1 VAL 109 -2.409 -5.422 4.619 804 HG12 VAL 109 2HG1 VAL 109 -3.667 -4.170 4.485 805 HG13 VAL 109 3HG1 VAL 109 -2.280 -4.162 3.369 806 HG21 VAL 109 1HG2 VAL 109 -0.092 -3.734 4.104 807 HG22 VAL 109 2HG2 VAL 109 -0.785 -2.095 4.089 808 HG23 VAL 109 3HG2 VAL 109 0.158 -2.650 5.494 809 H ASN 110 H ASN 110 -5.040 -1.659 5.012 810 HA ASN 110 HA ASN 110 -6.340 -3.426 6.933 811 HB2 ASN 110 1HB ASN 110 -6.712 -0.536 6.397 812 HB3 ASN 110 2HB ASN 110 -8.217 -1.426 6.284 813 HD21 ASN 110 1HD2 ASN 110 -5.316 -1.911 8.285 814 HD22 ASN 110 2HD2 ASN 110 -6.093 -1.818 9.830 815 H PHE 111 H PHE 111 -7.836 -4.850 5.971 816 HA PHE 111 HA PHE 111 -8.165 -4.603 3.098 817 HB2 PHE 111 1HB PHE 111 -8.846 -6.718 5.227 818 HB3 PHE 111 2HB PHE 111 -9.180 -6.950 3.522 819 HD1 PHE 111 HD1 PHE 111 -6.621 -5.658 2.467 820 HD2 PHE 111 HD2 PHE 111 -7.318 -8.493 5.548 821 HE1 PHE 111 HE1 PHE 111 -4.310 -6.581 2.141 822 HE2 PHE 111 HE2 PHE 111 -5.007 -9.416 5.221 823 HZ PHE 111 HZ PHE 111 -3.530 -8.449 3.522 824 H VAL 112 H VAL 112 -9.833 -3.289 2.474 825 HA VAL 112 HA VAL 112 -12.157 -3.028 4.133 826 HB VAL 112 HB VAL 112 -11.487 -1.971 1.379 827 HG11 VAL 112 1HG1 VAL 112 -13.374 -0.360 2.839 828 HG12 VAL 112 2HG1 VAL 112 -13.554 -1.145 1.251 829 HG13 VAL 112 3HG1 VAL 112 -13.976 -2.032 2.736 830 HG21 VAL 112 1HG2 VAL 112 -11.437 -0.441 3.989 831 HG22 VAL 112 2HG2 VAL 112 -10.006 -1.285 3.350 832 HG23 VAL 112 3HG2 VAL 112 -10.759 0.027 2.411 833 H SER 113 H SER 113 -13.549 -4.727 4.251 834 HA SER 113 HA SER 113 -14.721 -5.581 1.791 835 HB2 SER 113 1HB SER 113 -12.655 -7.170 3.031 836 HB3 SER 113 2HB SER 113 -14.176 -8.023 3.210 837 HG SER 113 HG SER 113 -13.162 -8.584 1.207 838 H GLY 114 H GLY 114 -14.387 -6.860 5.189 839 HA2 GLY 114 1HA GLY 114 -16.550 -5.847 6.409 840 HA3 GLY 114 2HA GLY 114 -17.268 -7.094 5.409 841 HA PRO 115 HA PRO 115 -15.499 -8.942 9.263 842 HB2 PRO 115 1HB PRO 115 -17.768 -9.322 10.738 843 HB3 PRO 115 2HB PRO 115 -16.695 -7.956 10.966 844 HG2 PRO 115 1HG PRO 115 -19.345 -8.033 9.660 845 HG3 PRO 115 2HG PRO 115 -18.462 -6.648 10.271 846 HD2 PRO 115 1HD PRO 115 -18.741 -7.430 7.525 847 HD3 PRO 115 2HD PRO 115 -17.764 -6.115 8.146 848 H SER 116 H SER 116 -15.253 -10.343 7.250 849 HA SER 116 HA SER 116 -17.107 -12.101 6.474 850 HB2 SER 116 1HB SER 116 -14.209 -11.923 6.413 851 HB3 SER 116 2HB SER 116 -14.676 -13.595 6.652 852 HG SER 116 HG SER 116 -16.308 -12.992 4.789 853 H SER 117 H SER 117 -14.618 -12.801 9.047 854 HA SER 117 HA SER 117 -14.564 -14.349 10.594 855 HB2 SER 117 1HB SER 117 -16.659 -14.332 12.117 856 HB3 SER 117 2HB SER 117 -15.809 -12.816 11.893 857 HG SER 117 HG SER 117 -18.335 -13.652 10.841 858 H GLY 118 H GLY 118 -14.382 -16.233 9.201 859 HA2 GLY 118 1HA GLY 118 -16.879 -17.655 8.605 860 HA3 GLY 118 2HA GLY 118 -15.294 -17.970 7.928 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -31.147 -16.786 -15.337 2 HA2 GLY 1 1HA GLY 1 -33.350 -18.031 -13.844 3 HA3 GLY 1 2HA GLY 1 -31.709 -18.563 -13.536 4 H SER 2 H SER 2 -32.521 -17.677 -11.298 5 HA SER 2 HA SER 2 -32.083 -14.803 -11.219 6 HB2 SER 2 1HB SER 2 -33.685 -16.729 -9.591 7 HB3 SER 2 2HB SER 2 -32.910 -15.443 -8.688 8 HG SER 2 HG SER 2 -35.048 -14.839 -9.421 9 H SER 3 H SER 3 -29.926 -14.347 -10.894 10 HA SER 3 HA SER 3 -28.716 -15.333 -8.535 11 HB2 SER 3 1HB SER 3 -27.758 -16.309 -11.245 12 HB3 SER 3 2HB SER 3 -26.645 -16.177 -9.898 13 HG SER 3 HG SER 3 -28.779 -17.439 -8.905 14 H GLY 4 H GLY 4 -26.541 -14.247 -8.180 15 HA2 GLY 4 1HA GLY 4 -26.592 -11.553 -8.632 16 HA3 GLY 4 2HA GLY 4 -25.145 -12.484 -8.297 17 H SER 5 H SER 5 -24.963 -10.213 -9.907 18 HA SER 5 HA SER 5 -24.878 -11.295 -12.603 19 HB2 SER 5 1HB SER 5 -24.523 -8.831 -13.226 20 HB3 SER 5 2HB SER 5 -26.097 -9.248 -12.579 21 HG SER 5 HG SER 5 -24.963 -7.274 -11.676 22 H SER 6 H SER 6 -22.953 -9.179 -10.345 23 HA SER 6 HA SER 6 -20.599 -10.616 -11.119 24 HB2 SER 6 1HB SER 6 -21.119 -8.448 -12.653 25 HB3 SER 6 2HB SER 6 -20.334 -7.630 -11.317 26 HG SER 6 HG SER 6 -18.747 -8.215 -12.855 27 H GLY 7 H GLY 7 -19.824 -11.148 -9.107 28 HA2 GLY 7 1HA GLY 7 -20.365 -9.450 -6.831 29 HA3 GLY 7 2HA GLY 7 -19.555 -11.004 -6.846 30 H MET 8 H MET 8 -17.879 -10.160 -5.433 31 HA MET 8 HA MET 8 -15.785 -8.954 -6.952 32 HB2 MET 8 1HB MET 8 -17.488 -7.277 -5.435 33 HB3 MET 8 2HB MET 8 -16.115 -7.523 -4.375 34 HG2 MET 8 1HG MET 8 -14.613 -6.463 -5.828 35 HG3 MET 8 2HG MET 8 -15.530 -6.883 -7.262 36 HE1 MET 8 1HE MET 8 -16.848 -4.868 -8.530 37 HE2 MET 8 2HE MET 8 -16.218 -3.319 -7.918 38 HE3 MET 8 3HE MET 8 -15.115 -4.695 -8.165 39 H VAL 9 H VAL 9 -13.814 -9.766 -6.288 40 HA VAL 9 HA VAL 9 -13.808 -11.114 -3.675 41 HB VAL 9 HB VAL 9 -12.226 -12.702 -4.664 42 HG11 VAL 9 1HG1 VAL 9 -14.642 -13.206 -4.628 43 HG12 VAL 9 2HG1 VAL 9 -14.811 -12.482 -6.245 44 HG13 VAL 9 3HG1 VAL 9 -13.827 -13.950 -6.025 45 HG21 VAL 9 1HG2 VAL 9 -12.704 -12.274 -7.454 46 HG22 VAL 9 2HG2 VAL 9 -12.076 -10.764 -6.750 47 HG23 VAL 9 3HG2 VAL 9 -11.157 -12.278 -6.573 48 H THR 10 H THR 10 -11.459 -11.363 -2.818 49 HA THR 10 HA THR 10 -9.641 -10.358 -2.025 50 HB THR 10 HB THR 10 -9.488 -8.969 -4.747 51 HG1 THR 10 HG1 THR 10 -8.890 -11.019 -5.485 52 HG21 THR 10 1HG2 THR 10 -7.084 -9.196 -4.451 53 HG22 THR 10 2HG2 THR 10 -7.710 -8.466 -2.953 54 HG23 THR 10 3HG2 THR 10 -7.302 -10.198 -2.996 55 HA PRO 11 HA PRO 11 -11.300 -6.670 -0.475 56 HB2 PRO 11 1HB PRO 11 -9.657 -6.436 1.696 57 HB3 PRO 11 2HB PRO 11 -11.116 -7.407 1.698 58 HG2 PRO 11 1HG PRO 11 -8.300 -8.294 1.558 59 HG3 PRO 11 2HG PRO 11 -9.723 -9.223 1.984 60 HD2 PRO 11 1HD PRO 11 -8.313 -9.294 -0.512 61 HD3 PRO 11 2HD PRO 11 -9.801 -10.133 -0.125 62 H SER 12 H SER 12 -10.941 -4.441 -0.465 63 HA SER 12 HA SER 12 -8.899 -3.729 -2.226 64 HB2 SER 12 1HB SER 12 -10.582 -2.174 -2.353 65 HB3 SER 12 2HB SER 12 -11.028 -2.359 -0.668 66 HG SER 12 HG SER 12 -8.569 -1.054 -1.416 67 H LEU 13 H LEU 13 -6.980 -2.403 -1.823 68 HA LEU 13 HA LEU 13 -5.846 -2.970 0.792 69 HB2 LEU 13 1HB LEU 13 -4.625 -3.603 -1.234 70 HB3 LEU 13 2HB LEU 13 -4.600 -1.930 -1.757 71 HG LEU 13 HG LEU 13 -3.268 -1.356 0.281 72 HD11 LEU 13 1HD1 LEU 13 -2.892 -4.331 0.651 73 HD12 LEU 13 2HD1 LEU 13 -2.336 -3.002 1.696 74 HD13 LEU 13 3HD1 LEU 13 -4.072 -3.379 1.583 75 HD21 LEU 13 1HD2 LEU 13 -1.233 -2.906 -0.589 76 HD22 LEU 13 2HD2 LEU 13 -2.358 -3.064 -1.960 77 HD23 LEU 13 3HD2 LEU 13 -1.812 -1.452 -1.438 78 H ARG 14 H ARG 14 -6.025 -1.506 2.392 79 HA ARG 14 HA ARG 14 -6.254 1.269 1.544 80 HB2 ARG 14 1HB ARG 14 -8.268 0.829 2.691 81 HB3 ARG 14 2HB ARG 14 -7.516 -0.305 3.796 82 HG2 ARG 14 1HG ARG 14 -6.578 1.422 5.139 83 HG3 ARG 14 2HG ARG 14 -6.721 2.622 3.870 84 HD2 ARG 14 1HD ARG 14 -8.438 2.805 5.773 85 HD3 ARG 14 2HD ARG 14 -9.102 2.806 4.151 86 HE ARG 14 HE ARG 14 -9.068 0.109 4.881 87 HH11 ARG 14 1HH1 ARG 14 -10.481 3.046 6.210 88 HH12 ARG 14 2HH1 ARG 14 -11.824 2.225 6.933 89 HH21 ARG 14 1HH2 ARG 14 -10.840 -0.974 5.835 90 HH22 ARG 14 2HH2 ARG 14 -12.029 -0.077 6.718 91 H LEU 15 H LEU 15 -4.210 2.173 1.746 92 HA LEU 15 HA LEU 15 -2.528 1.296 3.944 93 HB2 LEU 15 1HB LEU 15 -2.041 3.030 1.524 94 HB3 LEU 15 2HB LEU 15 -0.848 2.768 2.780 95 HG LEU 15 HG LEU 15 -2.097 0.521 1.180 96 HD11 LEU 15 1HD1 LEU 15 0.674 1.091 0.536 97 HD12 LEU 15 2HD1 LEU 15 -0.734 0.891 -0.535 98 HD13 LEU 15 3HD1 LEU 15 -0.379 2.481 0.182 99 HD21 LEU 15 1HD2 LEU 15 -0.881 0.271 3.535 100 HD22 LEU 15 2HD2 LEU 15 -0.686 -0.923 2.229 101 HD23 LEU 15 3HD2 LEU 15 0.567 0.312 2.501 102 H VAL 16 H VAL 16 -2.905 2.229 5.886 103 HA VAL 16 HA VAL 16 -3.778 5.018 5.887 104 HB VAL 16 HB VAL 16 -3.779 2.884 8.030 105 HG11 VAL 16 1HG1 VAL 16 -5.212 5.532 8.214 106 HG12 VAL 16 2HG1 VAL 16 -4.788 4.387 9.509 107 HG13 VAL 16 3HG1 VAL 16 -3.518 5.366 8.735 108 HG21 VAL 16 1HG2 VAL 16 -6.358 3.979 7.208 109 HG22 VAL 16 2HG2 VAL 16 -5.495 3.201 5.860 110 HG23 VAL 16 3HG2 VAL 16 -5.827 2.286 7.351 111 H PHE 17 H PHE 17 -2.380 6.628 6.390 112 HA PHE 17 HA PHE 17 0.307 5.893 7.086 113 HB2 PHE 17 1HB PHE 17 -1.303 8.407 6.435 114 HB3 PHE 17 2HB PHE 17 0.312 8.585 7.090 115 HD1 PHE 17 HD2 PHE 17 2.181 7.213 5.833 116 HD2 PHE 17 HD1 PHE 17 -1.564 8.269 4.141 117 HE1 PHE 17 HE2 PHE 17 3.145 6.942 3.532 118 HE2 PHE 17 HE1 PHE 17 -0.600 7.998 1.839 119 HZ PHE 17 HZ PHE 17 1.743 7.338 1.562 120 H VAL 18 H VAL 18 0.184 5.039 9.228 121 HA VAL 18 HA VAL 18 -1.096 6.538 11.288 122 HB VAL 18 HB VAL 18 0.112 4.833 12.731 123 HG11 VAL 18 1HG1 VAL 18 -2.195 4.662 11.166 124 HG12 VAL 18 2HG1 VAL 18 -1.353 3.120 10.886 125 HG13 VAL 18 3HG1 VAL 18 -1.760 3.623 12.544 126 HG21 VAL 18 1HG2 VAL 18 1.616 4.443 10.395 127 HG22 VAL 18 2HG2 VAL 18 1.660 3.466 11.883 128 HG23 VAL 18 3HG2 VAL 18 0.594 2.992 10.539 129 H LYS 19 H LYS 19 2.128 6.369 9.820 130 HA LYS 19 HA LYS 19 2.912 8.576 11.558 131 HB2 LYS 19 1HB LYS 19 4.623 6.115 11.089 132 HB3 LYS 19 2HB LYS 19 5.137 7.575 11.911 133 HG2 LYS 19 1HG LYS 19 2.843 7.041 13.312 134 HG3 LYS 19 2HG LYS 19 3.293 5.411 12.852 135 HD2 LYS 19 1HD LYS 19 5.703 6.106 13.696 136 HD3 LYS 19 2HD LYS 19 4.859 7.398 14.525 137 HE2 LYS 19 1HE LYS 19 3.606 4.716 14.856 138 HE3 LYS 19 2HE LYS 19 5.216 4.845 15.536 139 HZ1 LYS 19 1HZ LYS 19 3.136 6.841 16.069 140 HZ2 LYS 19 2HZ LYS 19 3.344 5.520 17.006 141 HZ3 LYS 19 3HZ LYS 19 4.541 6.622 16.872 142 H GLY 20 H GLY 20 5.221 9.387 10.615 143 HA2 GLY 20 1HA GLY 20 6.492 9.803 8.698 144 HA3 GLY 20 2HA GLY 20 5.197 9.193 7.687 145 HA PRO 21 HA PRO 21 4.894 13.739 7.708 146 HB2 PRO 21 1HB PRO 21 5.181 14.163 5.024 147 HB3 PRO 21 2HB PRO 21 6.513 14.265 6.158 148 HG2 PRO 21 1HG PRO 21 5.890 12.122 4.220 149 HG3 PRO 21 2HG PRO 21 7.402 12.454 5.041 150 HD2 PRO 21 1HD PRO 21 5.524 10.381 5.674 151 HD3 PRO 21 2HD PRO 21 6.977 10.786 6.565 152 H ARG 22 H ARG 22 3.362 11.175 6.066 153 HA ARG 22 HA ARG 22 1.140 12.918 5.453 154 HB2 ARG 22 1HB ARG 22 2.128 10.276 4.475 155 HB3 ARG 22 2HB ARG 22 0.384 10.389 4.601 156 HG2 ARG 22 1HG ARG 22 0.218 11.991 2.933 157 HG3 ARG 22 2HG ARG 22 1.745 12.743 3.348 158 HD2 ARG 22 1HD ARG 22 2.928 11.434 1.883 159 HD3 ARG 22 2HD ARG 22 2.075 9.976 2.348 160 HE ARG 22 HE ARG 22 0.610 10.292 0.553 161 HH11 ARG 22 1HH1 ARG 22 2.253 13.327 1.236 162 HH12 ARG 22 2HH1 ARG 22 1.606 14.138 -0.152 163 HH21 ARG 22 1HH2 ARG 22 -0.244 11.360 -1.278 164 HH22 ARG 22 2HH2 ARG 22 0.176 13.011 -1.591 165 H GLU 23 H GLU 23 2.230 11.390 8.129 166 HA GLU 23 HA GLU 23 0.511 9.598 9.037 167 HB2 GLU 23 1HB GLU 23 2.381 10.456 10.366 168 HB3 GLU 23 2HB GLU 23 1.599 12.015 10.542 169 HG2 GLU 23 1HG GLU 23 -0.037 9.672 11.419 170 HG3 GLU 23 2HG GLU 23 1.401 9.972 12.375 171 H GLY 24 H GLY 24 -1.686 9.442 9.003 172 HA2 GLY 24 1HA GLY 24 -3.718 10.262 10.010 173 HA3 GLY 24 2HA GLY 24 -3.231 11.893 9.594 174 H ASP 25 H ASP 25 -2.176 10.026 7.028 175 HA ASP 25 HA ASP 25 -4.593 10.683 5.565 176 HB2 ASP 25 1HB ASP 25 -1.688 10.265 4.810 177 HB3 ASP 25 2HB ASP 25 -2.924 10.094 3.580 178 H ALA 26 H ALA 26 -5.276 9.040 3.838 179 HA ALA 26 HA ALA 26 -4.246 6.368 4.127 180 HB1 ALA 26 1HB ALA 26 -6.223 5.354 4.970 181 HB2 ALA 26 2HB ALA 26 -5.942 6.761 6.024 182 HB3 ALA 26 3HB ALA 26 -7.178 6.839 4.746 183 H LEU 27 H LEU 27 -4.820 5.044 2.330 184 HA LEU 27 HA LEU 27 -6.454 6.391 0.305 185 HB2 LEU 27 1HB LEU 27 -3.833 4.999 -0.254 186 HB3 LEU 27 2HB LEU 27 -4.879 5.788 -1.418 187 HG LEU 27 HG LEU 27 -3.977 7.528 0.793 188 HD11 LEU 27 1HD1 LEU 27 -1.872 6.669 0.747 189 HD12 LEU 27 2HD1 LEU 27 -2.033 6.050 -0.914 190 HD13 LEU 27 3HD1 LEU 27 -1.741 7.783 -0.635 191 HD21 LEU 27 1HD2 LEU 27 -4.805 7.719 -1.985 192 HD22 LEU 27 2HD2 LEU 27 -4.783 8.958 -0.707 193 HD23 LEU 27 3HD2 LEU 27 -3.320 8.649 -1.672 194 H ASP 28 H ASP 28 -6.916 4.681 -1.556 195 HA ASP 28 HA ASP 28 -7.125 2.035 -0.436 196 HB2 ASP 28 1HB ASP 28 -9.538 1.874 -0.939 197 HB3 ASP 28 2HB ASP 28 -9.238 3.141 0.234 198 H TYR 29 H TYR 29 -7.321 0.417 -2.148 199 HA TYR 29 HA TYR 29 -7.569 1.402 -4.875 200 HB2 TYR 29 1HB TYR 29 -5.249 -0.270 -3.720 201 HB3 TYR 29 2HB TYR 29 -5.422 0.146 -5.413 202 HD1 TYR 29 HD2 TYR 29 -4.640 1.467 -2.053 203 HD2 TYR 29 HD1 TYR 29 -4.820 2.341 -6.238 204 HE1 TYR 29 HE2 TYR 29 -3.305 3.597 -1.674 205 HE2 TYR 29 HE1 TYR 29 -3.485 4.468 -5.844 206 HH TYR 29 HH TYR 29 -3.098 5.827 -2.869 207 H LYS 30 H LYS 30 -7.906 -0.368 -6.447 208 HA LYS 30 HA LYS 30 -9.487 -2.435 -5.245 209 HB2 LYS 30 1HB LYS 30 -8.987 -1.388 -7.996 210 HB3 LYS 30 2HB LYS 30 -9.538 -3.045 -7.853 211 HG2 LYS 30 1HG LYS 30 -11.415 -2.197 -6.332 212 HG3 LYS 30 2HG LYS 30 -10.915 -0.565 -6.727 213 HD2 LYS 30 1HD LYS 30 -11.239 -1.122 -9.185 214 HD3 LYS 30 2HD LYS 30 -11.873 -2.684 -8.708 215 HE2 LYS 30 1HE LYS 30 -13.633 -1.479 -7.321 216 HE3 LYS 30 2HE LYS 30 -13.043 0.039 -7.966 217 HZ1 LYS 30 1HZ LYS 30 -13.906 -0.406 -9.977 218 HZ2 LYS 30 2HZ LYS 30 -13.672 -2.020 -9.889 219 HZ3 LYS 30 3HZ LYS 30 -14.938 -1.335 -9.117 220 HA PRO 31 HA PRO 31 -6.571 -5.613 -5.367 221 HB2 PRO 31 1HB PRO 31 -8.045 -7.824 -6.006 222 HB3 PRO 31 2HB PRO 31 -8.016 -7.122 -4.400 223 HG2 PRO 31 1HG PRO 31 -10.142 -6.976 -6.450 224 HG3 PRO 31 2HG PRO 31 -10.252 -6.662 -4.729 225 HD2 PRO 31 1HD PRO 31 -10.158 -4.708 -6.828 226 HD3 PRO 31 2HD PRO 31 -10.151 -4.396 -5.103 227 H GLY 32 H GLY 32 -4.889 -6.217 -6.594 228 HA2 GLY 32 1HA GLY 32 -4.023 -7.238 -8.504 229 HA3 GLY 32 2HA GLY 32 -5.513 -6.922 -9.370 230 H SER 33 H SER 33 -4.406 -4.254 -7.423 231 HA SER 33 HA SER 33 -3.350 -3.029 -9.851 232 HB2 SER 33 1HB SER 33 -5.229 -2.061 -7.746 233 HB3 SER 33 2HB SER 33 -4.024 -0.894 -8.255 234 HG SER 33 HG SER 33 -5.807 -0.652 -9.628 235 H THR 34 H THR 34 -1.126 -3.075 -9.681 236 HA THR 34 HA THR 34 0.246 -3.209 -7.238 237 HB THR 34 HB THR 34 1.045 -2.466 -10.097 238 HG1 THR 34 HG1 THR 34 0.479 -4.660 -9.887 239 HG21 THR 34 1HG2 THR 34 2.662 -1.726 -8.115 240 HG22 THR 34 2HG2 THR 34 2.952 -3.475 -7.962 241 HG23 THR 34 3HG2 THR 34 3.326 -2.641 -9.489 242 H ILE 35 H ILE 35 0.900 -1.746 -5.777 243 HA ILE 35 HA ILE 35 0.518 1.067 -6.535 244 HB ILE 35 HB ILE 35 0.201 -0.249 -3.835 245 HG12 ILE 35 1HG1 ILE 35 -2.138 1.114 -4.812 246 HG13 ILE 35 2HG1 ILE 35 -1.604 -0.042 -6.017 247 HG21 ILE 35 1HG2 ILE 35 -0.822 2.456 -4.085 248 HG22 ILE 35 2HG2 ILE 35 0.269 1.751 -2.868 249 HG23 ILE 35 3HG2 ILE 35 0.930 2.383 -4.394 250 HD11 ILE 35 1HD1 ILE 35 -2.403 -0.550 -3.138 251 HD12 ILE 35 2HD1 ILE 35 -2.994 -1.341 -4.619 252 HD13 ILE 35 3HD1 ILE 35 -1.365 -1.709 -4.002 253 H ARG 36 H ARG 36 2.508 1.811 -7.111 254 HA ARG 36 HA ARG 36 4.801 0.773 -5.785 255 HB2 ARG 36 1HB ARG 36 4.552 3.067 -7.798 256 HB3 ARG 36 2HB ARG 36 6.054 2.301 -7.319 257 HG2 ARG 36 1HG ARG 36 5.731 0.548 -8.737 258 HG3 ARG 36 2HG ARG 36 4.087 0.301 -8.182 259 HD2 ARG 36 1HD ARG 36 4.601 2.705 -9.925 260 HD3 ARG 36 2HD ARG 36 4.650 1.132 -10.696 261 HE ARG 36 HE ARG 36 2.307 1.418 -8.993 262 HH11 ARG 36 1HH1 ARG 36 3.612 2.207 -12.164 263 HH12 ARG 36 2HH1 ARG 36 2.056 2.339 -12.913 264 HH21 ARG 36 1HH2 ARG 36 0.254 1.592 -9.980 265 HH22 ARG 36 2HH2 ARG 36 0.133 1.987 -11.662 266 H VAL 37 H VAL 37 5.327 1.519 -3.749 267 HA VAL 37 HA VAL 37 4.596 4.263 -3.077 268 HB VAL 37 HB VAL 37 5.424 1.856 -1.452 269 HG11 VAL 37 1HG1 VAL 37 6.348 4.024 -0.545 270 HG12 VAL 37 2HG1 VAL 37 4.668 4.579 -0.354 271 HG13 VAL 37 3HG1 VAL 37 5.243 3.155 0.546 272 HG21 VAL 37 1HG2 VAL 37 2.849 3.192 -2.124 273 HG22 VAL 37 2HG2 VAL 37 3.209 1.477 -1.816 274 HG23 VAL 37 3HG2 VAL 37 3.042 2.609 -0.454 275 H GLY 38 H GLY 38 6.085 5.844 -3.290 276 HA2 GLY 38 1HA GLY 38 8.900 5.168 -2.761 277 HA3 GLY 38 2HA GLY 38 8.466 5.926 -4.280 278 H ARG 39 H ARG 39 9.645 7.864 -3.833 279 HA ARG 39 HA ARG 39 8.625 9.362 -1.565 280 HB2 ARG 39 1HB ARG 39 11.027 9.194 -1.466 281 HB3 ARG 39 2HB ARG 39 11.204 9.528 -3.177 282 HG2 ARG 39 1HG ARG 39 10.563 11.851 -2.887 283 HG3 ARG 39 2HG ARG 39 10.019 11.567 -1.246 284 HD2 ARG 39 1HD ARG 39 12.116 11.873 -0.414 285 HD3 ARG 39 2HD ARG 39 12.798 10.708 -1.532 286 HE ARG 39 HE ARG 39 12.229 13.058 -3.024 287 HH11 ARG 39 1HH1 ARG 39 14.354 12.046 -0.408 288 HH12 ARG 39 2HH1 ARG 39 15.588 13.198 -0.794 289 HH21 ARG 39 1HH2 ARG 39 13.857 14.578 -3.533 290 HH22 ARG 39 2HH2 ARG 39 15.304 14.648 -2.583 291 H ILE 40 H ILE 40 8.714 9.132 -5.056 292 HA ILE 40 HA ILE 40 7.558 11.828 -5.244 293 HB ILE 40 HB ILE 40 8.307 11.657 -7.664 294 HG12 ILE 40 1HG1 ILE 40 10.321 9.651 -6.671 295 HG13 ILE 40 2HG1 ILE 40 8.791 9.113 -7.334 296 HG21 ILE 40 1HG2 ILE 40 10.661 12.329 -7.067 297 HG22 ILE 40 2HG2 ILE 40 9.370 13.203 -6.208 298 HG23 ILE 40 3HG2 ILE 40 10.274 11.911 -5.380 299 HD11 ILE 40 1HD1 ILE 40 10.242 9.164 -9.212 300 HD12 ILE 40 2HD1 ILE 40 9.318 10.679 -9.352 301 HD13 ILE 40 3HD1 ILE 40 10.979 10.705 -8.712 302 H VAL 41 H VAL 41 5.548 12.052 -6.194 303 HA VAL 41 HA VAL 41 4.033 9.636 -6.434 304 HB VAL 41 HB VAL 41 2.235 11.348 -7.072 305 HG11 VAL 41 1HG1 VAL 41 1.853 11.936 -4.764 306 HG12 VAL 41 2HG1 VAL 41 2.547 10.298 -4.823 307 HG13 VAL 41 3HG1 VAL 41 3.569 11.681 -4.366 308 HG21 VAL 41 1HG2 VAL 41 4.264 13.051 -7.525 309 HG22 VAL 41 2HG2 VAL 41 2.641 13.589 -7.033 310 HG23 VAL 41 3HG2 VAL 41 3.937 13.448 -5.821 311 H ARG 42 H ARG 42 5.802 11.823 -8.555 312 HA ARG 42 HA ARG 42 4.679 11.819 -10.873 313 HB2 ARG 42 1HB ARG 42 7.508 11.188 -10.067 314 HB3 ARG 42 2HB ARG 42 7.110 10.940 -11.756 315 HG2 ARG 42 1HG ARG 42 7.563 13.171 -11.976 316 HG3 ARG 42 2HG ARG 42 5.949 13.399 -11.334 317 HD2 ARG 42 1HD ARG 42 7.129 13.256 -8.971 318 HD3 ARG 42 2HD ARG 42 8.601 13.577 -9.866 319 HE ARG 42 HE ARG 42 6.687 15.484 -10.731 320 HH11 ARG 42 1HH1 ARG 42 8.405 14.643 -7.777 321 HH12 ARG 42 2HH1 ARG 42 8.375 16.257 -7.149 322 HH21 ARG 42 1HH2 ARG 42 6.647 17.613 -9.903 323 HH22 ARG 42 2HH2 ARG 42 7.369 17.958 -8.366 324 H GLY 43 H GLY 43 7.059 9.134 -10.715 325 HA2 GLY 43 1HA GLY 43 5.154 7.418 -12.133 326 HA3 GLY 43 2HA GLY 43 6.890 7.207 -12.011 327 H ASN 44 H ASN 44 4.018 7.449 -9.784 328 HA ASN 44 HA ASN 44 4.522 4.885 -8.763 329 HB2 ASN 44 1HB ASN 44 5.362 7.311 -7.118 330 HB3 ASN 44 2HB ASN 44 4.855 5.833 -6.325 331 HD21 ASN 44 1HD2 ASN 44 7.469 7.440 -6.969 332 HD22 ASN 44 2HD2 ASN 44 8.623 6.207 -7.353 333 H GLU 45 H GLU 45 2.840 4.373 -7.010 334 HA GLU 45 HA GLU 45 0.455 5.811 -7.600 335 HB2 GLU 45 1HB GLU 45 1.199 3.250 -6.285 336 HB3 GLU 45 2HB GLU 45 -0.231 4.014 -5.620 337 HG2 GLU 45 1HG GLU 45 0.075 3.757 -8.627 338 HG3 GLU 45 2HG GLU 45 -0.460 2.378 -7.687 339 H ILE 46 H ILE 46 2.593 5.265 -4.739 340 HA ILE 46 HA ILE 46 1.339 7.619 -3.528 341 HB ILE 46 HB ILE 46 2.018 5.045 -2.102 342 HG12 ILE 46 1HG1 ILE 46 -0.724 6.271 -2.416 343 HG13 ILE 46 2HG1 ILE 46 -0.083 5.139 -3.591 344 HG21 ILE 46 1HG2 ILE 46 0.927 7.672 -1.061 345 HG22 ILE 46 2HG2 ILE 46 1.000 6.155 -0.133 346 HG23 ILE 46 3HG2 ILE 46 2.502 6.935 -0.684 347 HD11 ILE 46 1HD1 ILE 46 0.400 3.557 -1.607 348 HD12 ILE 46 2HD1 ILE 46 -0.607 4.656 -0.633 349 HD13 ILE 46 3HD1 ILE 46 -1.312 3.805 -2.029 350 H ALA 47 H ALA 47 2.766 9.052 -2.550 351 HA ALA 47 HA ALA 47 5.575 8.207 -2.505 352 HB1 ALA 47 1HB ALA 47 6.224 9.872 -3.904 353 HB2 ALA 47 2HB ALA 47 4.527 9.862 -4.439 354 HB3 ALA 47 3HB ALA 47 5.066 11.034 -3.213 355 H ILE 48 H ILE 48 6.744 8.927 -0.720 356 HA ILE 48 HA ILE 48 5.185 10.527 1.189 357 HB ILE 48 HB ILE 48 7.061 8.210 1.613 358 HG12 ILE 48 1HG1 ILE 48 4.399 8.446 2.928 359 HG13 ILE 48 2HG1 ILE 48 4.400 8.166 1.198 360 HG21 ILE 48 1HG2 ILE 48 7.716 9.924 3.196 361 HG22 ILE 48 2HG2 ILE 48 6.021 10.164 3.684 362 HG23 ILE 48 3HG2 ILE 48 6.839 8.623 4.035 363 HD11 ILE 48 1HD1 ILE 48 5.768 6.465 3.327 364 HD12 ILE 48 2HD1 ILE 48 4.397 6.001 2.292 365 HD13 ILE 48 3HD1 ILE 48 6.011 6.233 1.579 366 H LYS 49 H LYS 49 6.215 12.254 2.231 367 HA LYS 49 HA LYS 49 8.779 12.973 1.007 368 HB2 LYS 49 1HB LYS 49 6.439 14.565 2.021 369 HB3 LYS 49 2HB LYS 49 8.033 15.293 1.987 370 HG2 LYS 49 1HG LYS 49 6.888 13.877 -0.453 371 HG3 LYS 49 2HG LYS 49 6.528 15.560 -0.125 372 HD2 LYS 49 1HD LYS 49 8.472 16.096 -1.163 373 HD3 LYS 49 2HD LYS 49 9.321 15.403 0.203 374 HE2 LYS 49 1HE LYS 49 10.195 13.890 -1.253 375 HE3 LYS 49 2HE LYS 49 8.610 13.144 -1.295 376 HZ1 LYS 49 1HZ LYS 49 8.342 15.190 -2.997 377 HZ2 LYS 49 2HZ LYS 49 9.892 14.752 -3.264 378 HZ3 LYS 49 3HZ LYS 49 8.693 13.657 -3.435 379 H ASP 50 H ASP 50 9.564 11.217 2.633 380 HA ASP 50 HA ASP 50 9.913 12.520 5.218 381 HB2 ASP 50 1HB ASP 50 8.874 10.443 5.660 382 HB3 ASP 50 2HB ASP 50 9.715 9.629 4.356 383 H ALA 51 H ALA 51 11.358 11.681 2.233 384 HA ALA 51 HA ALA 51 13.450 12.040 1.521 385 HB1 ALA 51 1HB ALA 51 15.001 13.116 2.831 386 HB2 ALA 51 2HB ALA 51 13.562 13.403 3.839 387 HB3 ALA 51 3HB ALA 51 14.684 12.083 4.246 388 H GLY 52 H GLY 52 13.333 10.036 4.549 389 HA2 GLY 52 1HA GLY 52 15.331 8.243 3.966 390 HA3 GLY 52 2HA GLY 52 13.895 7.888 4.907 391 H ILE 53 H ILE 53 12.234 8.683 2.359 392 HA ILE 53 HA ILE 53 12.378 6.007 1.211 393 HB ILE 53 HB ILE 53 10.264 8.160 1.127 394 HG12 ILE 53 1HG1 ILE 53 9.754 5.477 2.292 395 HG13 ILE 53 2HG1 ILE 53 10.850 6.505 3.192 396 HG21 ILE 53 1HG2 ILE 53 10.320 6.906 -0.988 397 HG22 ILE 53 2HG2 ILE 53 10.178 5.381 -0.081 398 HG23 ILE 53 3HG2 ILE 53 8.850 6.566 -0.043 399 HD11 ILE 53 1HD1 ILE 53 8.934 7.389 4.075 400 HD12 ILE 53 2HD1 ILE 53 8.865 8.310 2.553 401 HD13 ILE 53 3HD1 ILE 53 7.932 6.803 2.725 402 H SER 54 H SER 54 12.680 5.625 -1.009 403 HA SER 54 HA SER 54 13.771 7.944 -2.390 404 HB2 SER 54 1HB SER 54 14.546 5.097 -2.207 405 HB3 SER 54 2HB SER 54 14.521 5.690 -3.855 406 HG SER 54 HG SER 54 15.718 7.499 -2.103 407 H THR 55 H THR 55 13.316 8.124 -4.757 408 HA THR 55 HA THR 55 10.715 8.139 -5.430 409 HB THR 55 HB THR 55 11.566 8.139 -7.793 410 HG1 THR 55 HG1 THR 55 14.076 7.479 -6.436 411 HG21 THR 55 1HG2 THR 55 12.546 9.831 -5.674 412 HG22 THR 55 2HG2 THR 55 13.919 9.461 -6.745 413 HG23 THR 55 3HG2 THR 55 12.448 10.210 -7.411 414 H LYS 56 H LYS 56 12.942 5.331 -5.901 415 HA LYS 56 HA LYS 56 10.514 3.718 -6.279 416 HB2 LYS 56 1HB LYS 56 13.220 3.526 -7.611 417 HB3 LYS 56 2HB LYS 56 12.107 2.174 -7.571 418 HG2 LYS 56 1HG LYS 56 11.128 3.067 -9.417 419 HG3 LYS 56 2HG LYS 56 10.470 4.305 -8.367 420 HD2 LYS 56 1HD LYS 56 12.811 5.490 -8.710 421 HD3 LYS 56 2HD LYS 56 12.959 4.428 -10.096 422 HE2 LYS 56 1HE LYS 56 10.513 6.195 -9.646 423 HE3 LYS 56 2HE LYS 56 11.917 6.745 -10.539 424 HZ1 LYS 56 1HZ LYS 56 10.243 5.792 -11.971 425 HZ2 LYS 56 2HZ LYS 56 11.620 4.916 -12.049 426 HZ3 LYS 56 3HZ LYS 56 10.342 4.354 -11.203 427 H HIS 57 H HIS 57 10.612 3.825 -3.812 428 HA HIS 57 HA HIS 57 12.758 2.483 -2.545 429 HB2 HIS 57 1HB HIS 57 11.387 4.204 -1.445 430 HB3 HIS 57 2HB HIS 57 9.977 3.168 -1.552 431 HD2 HIS 57 HD2 HIS 57 11.124 0.379 -0.334 432 HE1 HIS 57 HE1 HIS 57 12.434 2.724 2.966 433 HE2 HIS 57 HE2 HIS 57 11.849 0.354 2.108 434 H LEU 58 H LEU 58 9.250 1.570 -2.891 435 HA LEU 58 HA LEU 58 10.056 -1.115 -3.574 436 HB2 LEU 58 1HB LEU 58 8.617 -2.076 -1.756 437 HB3 LEU 58 2HB LEU 58 10.170 -1.429 -1.269 438 HG LEU 58 HG LEU 58 9.139 0.550 -0.344 439 HD11 LEU 58 1HD1 LEU 58 6.664 0.808 -0.296 440 HD12 LEU 58 2HD1 LEU 58 7.374 0.956 -1.922 441 HD13 LEU 58 3HD1 LEU 58 6.540 -0.544 -1.448 442 HD21 LEU 58 1HD2 LEU 58 7.259 -1.026 1.035 443 HD22 LEU 58 2HD2 LEU 58 8.574 -2.128 0.560 444 HD23 LEU 58 3HD2 LEU 58 8.937 -0.662 1.503 445 H ARG 59 H ARG 59 7.916 -2.478 -3.901 446 HA ARG 59 HA ARG 59 5.862 -0.664 -4.858 447 HB2 ARG 59 1HB ARG 59 5.698 -1.784 -6.977 448 HB3 ARG 59 2HB ARG 59 7.413 -1.526 -6.731 449 HG2 ARG 59 1HG ARG 59 7.401 -3.915 -5.638 450 HG3 ARG 59 2HG ARG 59 5.840 -4.107 -6.411 451 HD2 ARG 59 1HD ARG 59 6.751 -3.979 -8.595 452 HD3 ARG 59 2HD ARG 59 8.183 -3.122 -8.061 453 HE ARG 59 HE ARG 59 8.118 -5.708 -6.809 454 HH11 ARG 59 1HH1 ARG 59 8.665 -4.211 -9.947 455 HH12 ARG 59 2HH1 ARG 59 9.699 -5.479 -10.514 456 HH21 ARG 59 1HH2 ARG 59 9.482 -7.381 -7.558 457 HH22 ARG 59 2HH2 ARG 59 10.167 -7.294 -9.146 458 H ILE 60 H ILE 60 3.707 -1.472 -4.639 459 HA ILE 60 HA ILE 60 3.550 -4.011 -3.177 460 HB ILE 60 HB ILE 60 2.124 -1.409 -2.965 461 HG12 ILE 60 1HG1 ILE 60 2.899 -3.455 -0.868 462 HG13 ILE 60 2HG1 ILE 60 3.962 -2.175 -1.419 463 HG21 ILE 60 1HG2 ILE 60 0.331 -3.000 -3.545 464 HG22 ILE 60 2HG2 ILE 60 0.831 -4.038 -2.188 465 HG23 ILE 60 3HG2 ILE 60 0.201 -2.404 -1.873 466 HD11 ILE 60 1HD1 ILE 60 2.986 -0.781 0.071 467 HD12 ILE 60 2HD1 ILE 60 1.468 -0.916 -0.848 468 HD13 ILE 60 3HD1 ILE 60 1.794 -2.030 0.501 469 H GLU 61 H GLU 61 2.036 -5.591 -3.810 470 HA GLU 61 HA GLU 61 0.347 -5.000 -6.040 471 HB2 GLU 61 1HB GLU 61 1.256 -6.813 -7.476 472 HB3 GLU 61 2HB GLU 61 2.431 -5.538 -7.216 473 HG2 GLU 61 1HG GLU 61 3.840 -7.246 -6.639 474 HG3 GLU 61 2HG GLU 61 3.020 -7.182 -5.092 475 H SER 62 H SER 62 -0.900 -7.159 -6.671 476 HA SER 62 HA SER 62 -1.205 -8.725 -4.233 477 HB2 SER 62 1HB SER 62 -3.177 -7.548 -4.053 478 HB3 SER 62 2HB SER 62 -3.233 -7.162 -5.761 479 HG SER 62 HG SER 62 -4.791 -8.656 -5.752 480 H ASP 63 H ASP 63 -2.147 -10.931 -4.628 481 HA ASP 63 HA ASP 63 -2.329 -11.792 -7.324 482 HB2 ASP 63 1HB ASP 63 0.097 -12.391 -5.636 483 HB3 ASP 63 2HB ASP 63 -0.523 -13.683 -6.643 484 H SER 64 H SER 64 -3.023 -14.163 -7.367 485 HA SER 64 HA SER 64 -4.494 -15.625 -6.657 486 HB2 SER 64 1HB SER 64 -2.054 -16.091 -5.480 487 HB3 SER 64 2HB SER 64 -3.087 -16.066 -4.065 488 HG SER 64 HG SER 64 -3.574 -17.680 -6.422 489 H GLY 65 H GLY 65 -5.645 -13.227 -6.178 490 HA2 GLY 65 1HA GLY 65 -7.096 -12.076 -4.899 491 HA3 GLY 65 2HA GLY 65 -7.554 -13.643 -4.261 492 H ASN 66 H ASN 66 -4.403 -11.881 -3.950 493 HA ASN 66 HA ASN 66 -5.006 -11.373 -1.186 494 HB2 ASN 66 1HB ASN 66 -2.862 -13.294 -2.156 495 HB3 ASN 66 2HB ASN 66 -2.572 -12.365 -0.699 496 HD21 ASN 66 1HD2 ASN 66 -3.452 -15.259 -1.676 497 HD22 ASN 66 2HD2 ASN 66 -4.583 -15.752 -0.461 498 H TRP 67 H TRP 67 -3.015 -10.082 -0.200 499 HA TRP 67 HA TRP 67 -1.886 -8.428 -2.352 500 HB2 TRP 67 1HB TRP 67 -2.707 -7.749 0.470 501 HB3 TRP 67 2HB TRP 67 -1.687 -6.706 -0.501 502 HD1 TRP 67 HD1 TRP 67 -5.332 -7.835 -0.185 503 HE1 TRP 67 HE1 TRP 67 -6.934 -6.387 -1.702 504 HE3 TRP 67 HE3 TRP 67 -1.630 -5.410 -2.689 505 HZ2 TRP 67 HZ2 TRP 67 -6.483 -4.434 -3.733 506 HZ3 TRP 67 HZ3 TRP 67 -2.297 -3.749 -4.423 507 HH2 TRP 67 HH2 TRP 67 -4.628 -3.246 -4.960 508 H VAL 68 H VAL 68 0.368 -7.980 -2.281 509 HA VAL 68 HA VAL 68 1.875 -9.175 -0.098 510 HB VAL 68 HB VAL 68 3.096 -10.629 -1.370 511 HG11 VAL 68 1HG1 VAL 68 0.760 -11.405 -1.258 512 HG12 VAL 68 2HG1 VAL 68 0.425 -10.615 -2.817 513 HG13 VAL 68 3HG1 VAL 68 1.572 -11.973 -2.737 514 HG21 VAL 68 1HG2 VAL 68 2.867 -10.465 -4.017 515 HG22 VAL 68 2HG2 VAL 68 2.496 -8.768 -3.632 516 HG23 VAL 68 3HG2 VAL 68 4.042 -9.480 -3.113 517 H ILE 69 H ILE 69 3.902 -8.160 0.249 518 HA ILE 69 HA ILE 69 4.359 -5.823 -1.471 519 HB ILE 69 HB ILE 69 3.346 -5.258 0.723 520 HG12 ILE 69 1HG1 ILE 69 5.334 -3.990 -0.670 521 HG13 ILE 69 2HG1 ILE 69 4.416 -3.296 0.651 522 HG21 ILE 69 1HG2 ILE 69 4.308 -7.029 2.085 523 HG22 ILE 69 2HG2 ILE 69 5.938 -6.357 1.844 524 HG23 ILE 69 3HG2 ILE 69 4.719 -5.431 2.753 525 HD11 ILE 69 1HD1 ILE 69 6.857 -3.031 1.015 526 HD12 ILE 69 2HD1 ILE 69 6.133 -4.057 2.276 527 HD13 ILE 69 3HD1 ILE 69 7.058 -4.798 0.949 528 H GLN 70 H GLN 70 6.570 -5.250 -1.846 529 HA GLN 70 HA GLN 70 8.510 -7.131 -0.821 530 HB2 GLN 70 1HB GLN 70 7.877 -8.166 -2.925 531 HB3 GLN 70 2HB GLN 70 7.982 -6.640 -3.780 532 HG2 GLN 70 1HG GLN 70 10.270 -6.748 -3.968 533 HG3 GLN 70 2HG GLN 70 10.478 -7.374 -2.344 534 HE21 GLN 70 1HE2 GLN 70 9.898 -9.629 -1.952 535 HE22 GLN 70 2HE2 GLN 70 10.175 -10.812 -3.187 536 H ASP 71 H ASP 71 10.486 -6.157 -0.378 537 HA ASP 71 HA ASP 71 10.538 -3.325 -0.758 538 HB2 ASP 71 1HB ASP 71 11.346 -3.931 1.363 539 HB3 ASP 71 2HB ASP 71 12.147 -5.370 0.764 540 H LEU 72 H LEU 72 11.376 -2.508 -2.685 541 HA LEU 72 HA LEU 72 12.978 -4.145 -4.375 542 HB2 LEU 72 1HB LEU 72 12.123 -1.253 -4.514 543 HB3 LEU 72 2HB LEU 72 13.059 -2.054 -5.760 544 HG LEU 72 HG LEU 72 11.286 -3.274 -6.531 545 HD11 LEU 72 1HD1 LEU 72 9.920 -3.085 -3.832 546 HD12 LEU 72 2HD1 LEU 72 9.376 -4.030 -5.239 547 HD13 LEU 72 3HD1 LEU 72 10.890 -4.461 -4.409 548 HD21 LEU 72 1HD2 LEU 72 10.179 -1.467 -7.195 549 HD22 LEU 72 2HD2 LEU 72 9.146 -1.647 -5.756 550 HD23 LEU 72 3HD2 LEU 72 10.579 -0.593 -5.696 551 H GLY 73 H GLY 73 14.448 -4.385 -2.240 552 HA2 GLY 73 1HA GLY 73 16.327 -3.770 -1.098 553 HA3 GLY 73 2HA GLY 73 16.960 -3.722 -2.732 554 H SER 74 H SER 74 14.634 -1.531 -1.003 555 HA SER 74 HA SER 74 15.310 0.767 -2.104 556 HB2 SER 74 1HB SER 74 14.678 1.877 0.053 557 HB3 SER 74 2HB SER 74 13.562 0.612 -0.421 558 HG SER 74 HG SER 74 14.487 0.741 1.920 559 H SER 75 H SER 75 16.546 0.502 1.252 560 HA SER 75 HA SER 75 19.246 0.429 0.537 561 HB2 SER 75 1HB SER 75 17.956 3.118 0.812 562 HB3 SER 75 2HB SER 75 19.498 2.917 1.620 563 HG SER 75 HG SER 75 20.168 3.494 -0.376 564 H ASN 76 H ASN 76 16.992 2.000 2.930 565 HA ASN 76 HA ASN 76 18.655 1.272 5.090 566 HB2 ASN 76 1HB ASN 76 15.756 2.255 4.978 567 HB3 ASN 76 2HB ASN 76 16.656 2.068 6.469 568 HD21 ASN 76 1HD2 ASN 76 15.710 4.202 4.182 569 HD22 ASN 76 2HD2 ASN 76 16.914 5.437 4.340 570 H GLY 77 H GLY 77 15.463 0.193 3.729 571 HA2 GLY 77 1HA GLY 77 15.143 -2.234 3.640 572 HA3 GLY 77 2HA GLY 77 15.728 -2.308 5.290 573 H THR 78 H THR 78 13.065 -3.095 4.077 574 HA THR 78 HA THR 78 11.270 -1.187 5.374 575 HB THR 78 HB THR 78 10.545 -3.681 3.773 576 HG1 THR 78 HG1 THR 78 10.647 -2.049 1.969 577 HG21 THR 78 1HG2 THR 78 8.511 -2.561 3.342 578 HG22 THR 78 2HG2 THR 78 8.841 -2.034 5.010 579 HG23 THR 78 3HG2 THR 78 9.221 -0.957 3.646 580 H LEU 79 H LEU 79 9.719 -1.813 6.957 581 HA LEU 79 HA LEU 79 10.449 -4.302 8.334 582 HB2 LEU 79 1HB LEU 79 10.060 -1.537 9.445 583 HB3 LEU 79 2HB LEU 79 9.797 -2.957 10.438 584 HG LEU 79 HG LEU 79 12.395 -2.403 8.984 585 HD11 LEU 79 1HD1 LEU 79 12.278 -0.596 10.447 586 HD12 LEU 79 2HD1 LEU 79 11.461 -1.542 11.714 587 HD13 LEU 79 3HD1 LEU 79 13.185 -1.818 11.370 588 HD21 LEU 79 1HD2 LEU 79 11.576 -4.770 9.908 589 HD22 LEU 79 2HD2 LEU 79 13.273 -4.240 9.991 590 HD23 LEU 79 3HD2 LEU 79 12.226 -4.101 11.424 591 H LEU 80 H LEU 80 8.738 -5.537 9.139 592 HA LEU 80 HA LEU 80 6.070 -4.454 8.564 593 HB2 LEU 80 1HB LEU 80 6.893 -6.090 6.854 594 HB3 LEU 80 2HB LEU 80 6.954 -7.306 8.115 595 HG LEU 80 HG LEU 80 4.540 -7.134 8.453 596 HD11 LEU 80 1HD1 LEU 80 4.838 -4.777 6.671 597 HD12 LEU 80 2HD1 LEU 80 3.384 -5.779 6.444 598 HD13 LEU 80 3HD1 LEU 80 3.731 -5.062 8.036 599 HD21 LEU 80 1HD2 LEU 80 5.466 -7.601 5.613 600 HD22 LEU 80 2HD2 LEU 80 5.196 -8.798 6.904 601 HD23 LEU 80 3HD2 LEU 80 3.812 -7.952 6.171 602 H ASN 81 H ASN 81 5.292 -3.980 10.568 603 HA ASN 81 HA ASN 81 4.497 -4.321 12.559 604 HB2 ASN 81 1HB ASN 81 5.241 -7.276 12.226 605 HB3 ASN 81 2HB ASN 81 4.155 -6.633 13.442 606 HD21 ASN 81 1HD2 ASN 81 4.376 -8.045 10.462 607 HD22 ASN 81 2HD2 ASN 81 2.822 -7.663 9.799 608 H SER 82 H SER 82 7.101 -6.874 12.358 609 HA SER 82 HA SER 82 8.899 -5.286 13.854 610 HB2 SER 82 1HB SER 82 7.204 -7.301 15.241 611 HB3 SER 82 2HB SER 82 8.918 -7.439 15.580 612 HG SER 82 HG SER 82 8.618 -4.897 15.834 613 H ASN 83 H ASN 83 9.472 -6.112 11.439 614 HA ASN 83 HA ASN 83 11.560 -7.918 11.793 615 HB2 ASN 83 1HB ASN 83 9.327 -9.387 11.582 616 HB3 ASN 83 2HB ASN 83 9.487 -9.029 9.874 617 HD21 ASN 83 1HD2 ASN 83 10.884 -10.116 8.664 618 HD22 ASN 83 2HD2 ASN 83 12.039 -11.278 9.228 619 H ALA 84 H ALA 84 13.046 -7.487 10.103 620 HA ALA 84 HA ALA 84 12.288 -5.495 8.200 621 HB1 ALA 84 1HB ALA 84 14.464 -5.089 8.654 622 HB2 ALA 84 2HB ALA 84 14.728 -6.738 9.269 623 HB3 ALA 84 3HB ALA 84 14.821 -6.414 7.521 624 H LEU 85 H LEU 85 11.379 -5.857 6.243 625 HA LEU 85 HA LEU 85 10.931 -8.478 5.327 626 HB2 LEU 85 1HB LEU 85 10.658 -5.813 3.929 627 HB3 LEU 85 2HB LEU 85 10.046 -7.337 3.320 628 HG LEU 85 HG LEU 85 9.186 -6.143 5.965 629 HD11 LEU 85 1HD1 LEU 85 8.669 -5.010 3.512 630 HD12 LEU 85 2HD1 LEU 85 7.244 -6.044 3.774 631 HD13 LEU 85 3HD1 LEU 85 7.685 -4.813 4.982 632 HD21 LEU 85 1HD2 LEU 85 7.582 -7.792 6.097 633 HD22 LEU 85 2HD2 LEU 85 7.601 -8.109 4.346 634 HD23 LEU 85 3HD2 LEU 85 8.944 -8.676 5.368 635 H ASP 86 H ASP 86 11.517 -8.980 2.859 636 HA ASP 86 HA ASP 86 14.362 -8.395 2.595 637 HB2 ASP 86 1HB ASP 86 13.060 -10.926 2.954 638 HB3 ASP 86 2HB ASP 86 13.603 -10.881 1.288 639 HA PRO 87 HA PRO 87 13.198 -7.304 -1.491 640 HB2 PRO 87 1HB PRO 87 15.572 -7.531 -2.826 641 HB3 PRO 87 2HB PRO 87 15.158 -6.146 -1.835 642 HG2 PRO 87 1HG PRO 87 17.017 -8.365 -1.235 643 HG3 PRO 87 2HG PRO 87 16.908 -6.789 -0.477 644 HD2 PRO 87 1HD PRO 87 15.955 -9.276 0.588 645 HD3 PRO 87 2HD PRO 87 15.744 -7.685 1.292 646 H GLU 88 H GLU 88 15.494 -9.977 -1.833 647 HA GLU 88 HA GLU 88 14.278 -10.953 -4.100 648 HB2 GLU 88 1HB GLU 88 15.928 -12.402 -1.984 649 HB3 GLU 88 2HB GLU 88 15.530 -13.081 -3.549 650 HG2 GLU 88 1HG GLU 88 16.555 -10.778 -4.454 651 HG3 GLU 88 2HG GLU 88 17.355 -10.762 -2.896 652 H THR 89 H THR 89 13.451 -11.278 -0.679 653 HA THR 89 HA THR 89 11.541 -13.410 -1.293 654 HB THR 89 HB THR 89 12.122 -12.213 1.442 655 HG1 THR 89 HG1 THR 89 13.583 -14.233 -0.111 656 HG21 THR 89 1HG2 THR 89 12.077 -15.149 0.973 657 HG22 THR 89 2HG2 THR 89 11.256 -14.196 2.232 658 HG23 THR 89 3HG2 THR 89 10.531 -14.344 0.613 659 H SER 90 H SER 90 9.306 -13.237 -0.834 660 HA SER 90 HA SER 90 8.447 -10.465 -0.554 661 HB2 SER 90 1HB SER 90 6.515 -11.052 -2.068 662 HB3 SER 90 2HB SER 90 8.076 -11.074 -2.864 663 HG SER 90 HG SER 90 6.623 -12.951 -3.303 664 H VAL 91 H VAL 91 6.587 -10.119 0.772 665 HA VAL 91 HA VAL 91 5.636 -12.536 2.149 666 HB VAL 91 HB VAL 91 6.076 -9.759 3.265 667 HG11 VAL 91 1HG1 VAL 91 4.232 -10.641 4.434 668 HG12 VAL 91 2HG1 VAL 91 4.918 -12.284 4.458 669 HG13 VAL 91 3HG1 VAL 91 5.635 -11.005 5.468 670 HG21 VAL 91 1HG2 VAL 91 7.537 -12.287 4.055 671 HG22 VAL 91 2HG2 VAL 91 8.131 -11.207 2.772 672 HG23 VAL 91 3HG2 VAL 91 7.949 -10.598 4.434 673 H ASN 92 H ASN 92 3.380 -12.401 2.944 674 HA ASN 92 HA ASN 92 1.820 -10.955 0.998 675 HB2 ASN 92 1HB ASN 92 -0.049 -12.388 1.774 676 HB3 ASN 92 2HB ASN 92 1.350 -13.381 1.421 677 HD21 ASN 92 1HD2 ASN 92 2.652 -14.165 3.128 678 HD22 ASN 92 2HD2 ASN 92 2.027 -14.377 4.729 679 H LEU 93 H LEU 93 0.741 -9.054 1.576 680 HA LEU 93 HA LEU 93 1.086 -7.940 4.120 681 HB2 LEU 93 1HB LEU 93 -0.680 -7.253 1.778 682 HB3 LEU 93 2HB LEU 93 -0.657 -6.301 3.249 683 HG LEU 93 HG LEU 93 1.778 -6.836 1.526 684 HD11 LEU 93 1HD1 LEU 93 -0.252 -4.621 1.481 685 HD12 LEU 93 2HD1 LEU 93 1.439 -4.309 1.021 686 HD13 LEU 93 3HD1 LEU 93 0.483 -5.519 0.131 687 HD21 LEU 93 1HD2 LEU 93 2.780 -6.263 3.467 688 HD22 LEU 93 2HD2 LEU 93 2.378 -4.615 2.928 689 HD23 LEU 93 3HD2 LEU 93 1.335 -5.445 4.107 690 H GLY 94 H GLY 94 -0.610 -7.353 5.700 691 HA2 GLY 94 1HA GLY 94 -2.940 -9.147 5.666 692 HA3 GLY 94 2HA GLY 94 -1.835 -9.203 7.025 693 H ASP 95 H ASP 95 -4.698 -8.391 6.984 694 HA ASP 95 HA ASP 95 -4.899 -5.627 7.065 695 HB2 ASP 95 1HB ASP 95 -6.962 -6.730 6.918 696 HB3 ASP 95 2HB ASP 95 -6.507 -7.962 8.078 697 H GLY 96 H GLY 96 -3.768 -4.334 8.529 698 HA2 GLY 96 1HA GLY 96 -3.623 -3.543 10.759 699 HA3 GLY 96 2HA GLY 96 -3.724 -5.190 11.349 700 H ASP 97 H ASP 97 -1.772 -4.912 8.500 701 HA ASP 97 HA ASP 97 0.536 -5.495 10.073 702 HB2 ASP 97 1HB ASP 97 0.027 -5.250 7.077 703 HB3 ASP 97 2HB ASP 97 1.619 -5.591 7.726 704 H VAL 98 H VAL 98 2.005 -3.911 10.725 705 HA VAL 98 HA VAL 98 1.697 -1.253 9.590 706 HB VAL 98 HB VAL 98 2.930 -2.433 12.053 707 HG11 VAL 98 1HG1 VAL 98 3.493 0.247 12.298 708 HG12 VAL 98 2HG1 VAL 98 4.673 -1.020 11.886 709 HG13 VAL 98 3HG1 VAL 98 3.902 -0.068 10.595 710 HG21 VAL 98 1HG2 VAL 98 0.695 -0.599 11.357 711 HG22 VAL 98 2HG2 VAL 98 0.825 -1.817 12.649 712 HG23 VAL 98 3HG2 VAL 98 1.598 -0.225 12.845 713 H ILE 99 H ILE 99 3.038 -0.458 8.052 714 HA ILE 99 HA ILE 99 5.494 -1.986 7.559 715 HB ILE 99 HB ILE 99 3.992 -0.175 5.668 716 HG12 ILE 99 1HG1 ILE 99 3.880 -3.195 5.925 717 HG13 ILE 99 2HG1 ILE 99 2.584 -2.078 6.306 718 HG21 ILE 99 1HG2 ILE 99 6.547 -0.755 5.438 719 HG22 ILE 99 2HG2 ILE 99 5.920 -2.306 4.831 720 HG23 ILE 99 3HG2 ILE 99 5.468 -0.786 4.023 721 HD11 ILE 99 1HD1 ILE 99 3.721 -2.815 3.605 722 HD12 ILE 99 2HD1 ILE 99 2.021 -2.716 4.122 723 HD13 ILE 99 3HD1 ILE 99 2.947 -1.227 3.820 724 H LYS 100 H LYS 100 7.237 -1.071 8.502 725 HA LYS 100 HA LYS 100 7.249 1.842 8.750 726 HB2 LYS 100 1HB LYS 100 8.435 -0.415 10.294 727 HB3 LYS 100 2HB LYS 100 9.370 1.064 10.208 728 HG2 LYS 100 1HG LYS 100 7.816 2.293 11.416 729 HG3 LYS 100 2HG LYS 100 6.448 1.403 10.779 730 HD2 LYS 100 1HD LYS 100 6.385 0.308 12.770 731 HD3 LYS 100 2HD LYS 100 7.817 -0.551 12.238 732 HE2 LYS 100 1HE LYS 100 9.289 1.072 13.322 733 HE3 LYS 100 2HE LYS 100 7.945 2.143 13.667 734 HZ1 LYS 100 1HZ LYS 100 8.876 0.201 15.290 735 HZ2 LYS 100 2HZ LYS 100 7.444 0.969 15.453 736 HZ3 LYS 100 3HZ LYS 100 7.517 -0.467 14.680 737 H LEU 101 H LEU 101 8.063 2.808 6.955 738 HA LEU 101 HA LEU 101 10.583 1.695 5.941 739 HB2 LEU 101 1HB LEU 101 9.949 2.149 3.712 740 HB3 LEU 101 2HB LEU 101 8.680 1.191 4.448 741 HG LEU 101 HG LEU 101 8.316 4.145 4.507 742 HD11 LEU 101 1HD1 LEU 101 9.260 3.390 2.187 743 HD12 LEU 101 2HD1 LEU 101 7.621 2.735 1.953 744 HD13 LEU 101 3HD1 LEU 101 7.848 4.471 2.276 745 HD21 LEU 101 1HD2 LEU 101 6.744 1.809 4.912 746 HD22 LEU 101 2HD2 LEU 101 6.269 3.517 5.075 747 HD23 LEU 101 3HD2 LEU 101 6.075 2.684 3.514 748 H GLY 102 H GLY 102 11.849 3.441 4.676 749 HA2 GLY 102 1HA GLY 102 12.859 5.449 4.640 750 HA3 GLY 102 2HA GLY 102 11.340 6.172 5.128 751 H GLU 103 H GLU 103 11.923 7.574 6.767 752 HA GLU 103 HA GLU 103 13.761 6.593 8.762 753 HB2 GLU 103 1HB GLU 103 12.480 9.342 8.425 754 HB3 GLU 103 2HB GLU 103 13.731 8.945 9.586 755 HG2 GLU 103 1HG GLU 103 14.963 8.045 7.338 756 HG3 GLU 103 2HG GLU 103 13.934 9.258 6.604 757 H TYR 104 H TYR 104 10.771 8.638 9.045 758 HA TYR 104 HA TYR 104 9.893 6.806 11.175 759 HB2 TYR 104 1HB TYR 104 9.802 9.862 10.808 760 HB3 TYR 104 2HB TYR 104 8.861 9.054 12.046 761 HD1 TYR 104 HD2 TYR 104 12.331 9.740 10.902 762 HD2 TYR 104 HD1 TYR 104 9.845 8.397 14.115 763 HE1 TYR 104 HE2 TYR 104 14.312 9.855 12.492 764 HE2 TYR 104 HE1 TYR 104 11.834 8.516 15.694 765 HH TYR 104 HH TYR 104 13.894 9.478 15.921 766 H THR 105 H THR 105 9.032 6.052 8.760 767 HA THR 105 HA THR 105 6.339 7.235 8.561 768 HB THR 105 HB THR 105 8.298 6.228 6.446 769 HG1 THR 105 HG1 THR 105 8.175 8.516 7.280 770 HG21 THR 105 1HG2 THR 105 5.954 7.260 5.219 771 HG22 THR 105 2HG2 THR 105 6.516 5.572 5.168 772 HG23 THR 105 3HG2 THR 105 5.366 6.090 6.424 773 H SER 106 H SER 106 4.668 5.938 9.003 774 HA SER 106 HA SER 106 5.212 3.079 8.848 775 HB2 SER 106 1HB SER 106 3.520 4.459 10.979 776 HB3 SER 106 2HB SER 106 3.839 2.739 10.871 777 HG SER 106 HG SER 106 6.208 3.400 11.021 778 H ILE 107 H ILE 107 3.627 1.873 7.785 779 HA ILE 107 HA ILE 107 1.188 3.348 7.069 780 HB ILE 107 HB ILE 107 2.673 1.332 5.381 781 HG12 ILE 107 1HG1 ILE 107 2.560 4.350 5.098 782 HG13 ILE 107 2HG1 ILE 107 3.944 3.439 5.669 783 HG21 ILE 107 1HG2 ILE 107 0.728 1.153 4.316 784 HG22 ILE 107 2HG2 ILE 107 0.009 2.491 5.244 785 HG23 ILE 107 3HG2 ILE 107 0.964 2.835 3.783 786 HD11 ILE 107 1HD1 ILE 107 2.703 3.434 2.899 787 HD12 ILE 107 2HD1 ILE 107 4.392 3.755 3.361 788 HD13 ILE 107 3HD1 ILE 107 3.748 2.097 3.437 789 H LEU 108 H LEU 108 -0.778 2.254 7.249 790 HA LEU 108 HA LEU 108 -0.555 -0.354 8.578 791 HB2 LEU 108 1HB LEU 108 -1.530 0.958 10.156 792 HB3 LEU 108 2HB LEU 108 -2.286 2.022 8.987 793 HG LEU 108 HG LEU 108 -3.992 0.323 8.506 794 HD11 LEU 108 1HD1 LEU 108 -2.171 -1.386 10.033 795 HD12 LEU 108 2HD1 LEU 108 -3.870 -1.528 10.542 796 HD13 LEU 108 3HD1 LEU 108 -3.424 -1.810 8.842 797 HD21 LEU 108 1HD2 LEU 108 -4.010 2.020 10.528 798 HD22 LEU 108 2HD2 LEU 108 -5.305 0.819 10.312 799 HD23 LEU 108 3HD2 LEU 108 -4.003 0.522 11.489 800 H VAL 109 H VAL 109 -1.310 -2.114 7.521 801 HA VAL 109 HA VAL 109 -2.646 -1.645 4.987 802 HB VAL 109 HB VAL 109 -1.446 -4.086 6.304 803 HG11 VAL 109 1HG1 VAL 109 -2.115 -5.434 4.569 804 HG12 VAL 109 2HG1 VAL 109 -3.514 -4.338 4.658 805 HG13 VAL 109 3HG1 VAL 109 -2.259 -4.080 3.422 806 HG21 VAL 109 1HG2 VAL 109 0.093 -3.857 4.242 807 HG22 VAL 109 2HG2 VAL 109 -0.545 -2.200 4.125 808 HG23 VAL 109 3HG2 VAL 109 0.321 -2.719 5.591 809 H ASN 110 H ASN 110 -4.821 -1.682 4.803 810 HA ASN 110 HA ASN 110 -6.240 -3.271 6.792 811 HB2 ASN 110 1HB ASN 110 -6.456 -0.419 6.182 812 HB3 ASN 110 2HB ASN 110 -7.981 -1.206 5.826 813 HD21 ASN 110 1HD2 ASN 110 -5.432 -1.718 8.265 814 HD22 ASN 110 2HD2 ASN 110 -6.448 -1.630 9.665 815 H PHE 111 H PHE 111 -7.912 -4.594 5.908 816 HA PHE 111 HA PHE 111 -8.062 -4.570 2.994 817 HB2 PHE 111 1HB PHE 111 -8.763 -6.532 5.251 818 HB3 PHE 111 2HB PHE 111 -9.215 -6.856 3.590 819 HD1 PHE 111 HD1 PHE 111 -6.738 -5.817 2.225 820 HD2 PHE 111 HD2 PHE 111 -7.230 -8.260 5.659 821 HE1 PHE 111 HE1 PHE 111 -4.487 -6.849 1.814 822 HE2 PHE 111 HE2 PHE 111 -4.980 -9.292 5.248 823 HZ PHE 111 HZ PHE 111 -3.635 -8.574 3.330 824 H VAL 112 H VAL 112 -9.683 -3.274 2.232 825 HA VAL 112 HA VAL 112 -12.115 -3.040 3.798 826 HB VAL 112 HB VAL 112 -11.410 -1.712 1.182 827 HG11 VAL 112 1HG1 VAL 112 -13.084 -0.146 1.684 828 HG12 VAL 112 2HG1 VAL 112 -13.801 -1.706 2.153 829 HG13 VAL 112 3HG1 VAL 112 -13.144 -0.618 3.399 830 HG21 VAL 112 1HG2 VAL 112 -10.876 -0.567 3.936 831 HG22 VAL 112 2HG2 VAL 112 -9.635 -1.393 2.964 832 HG23 VAL 112 3HG2 VAL 112 -10.396 0.097 2.356 833 H SER 113 H SER 113 -13.586 -4.650 3.574 834 HA SER 113 HA SER 113 -13.610 -6.212 1.210 835 HB2 SER 113 1HB SER 113 -14.464 -6.528 3.871 836 HB3 SER 113 2HB SER 113 -15.958 -6.500 2.957 837 HG SER 113 HG SER 113 -13.852 -8.087 1.897 838 H GLY 114 H GLY 114 -15.388 -6.394 -0.328 839 HA2 GLY 114 1HA GLY 114 -16.689 -3.857 -0.824 840 HA3 GLY 114 2HA GLY 114 -16.682 -5.280 -1.846 841 HA PRO 115 HA PRO 115 -20.632 -4.981 0.588 842 HB2 PRO 115 1HB PRO 115 -22.307 -3.765 -1.197 843 HB3 PRO 115 2HB PRO 115 -21.508 -2.906 0.105 844 HG2 PRO 115 1HG PRO 115 -20.878 -2.894 -2.783 845 HG3 PRO 115 2HG PRO 115 -20.390 -1.750 -1.549 846 HD2 PRO 115 1HD PRO 115 -18.768 -3.804 -2.722 847 HD3 PRO 115 2HD PRO 115 -18.319 -2.737 -1.407 848 H SER 116 H SER 116 -21.144 -7.078 0.702 849 HA SER 116 HA SER 116 -22.796 -8.077 -1.292 850 HB2 SER 116 1HB SER 116 -20.758 -8.278 -2.641 851 HB3 SER 116 2HB SER 116 -19.927 -9.108 -1.340 852 HG SER 116 HG SER 116 -22.373 -10.172 -2.425 853 H SER 117 H SER 117 -20.145 -9.245 0.923 854 HA SER 117 HA SER 117 -22.183 -10.896 2.197 855 HB2 SER 117 1HB SER 117 -20.263 -12.104 1.069 856 HB3 SER 117 2HB SER 117 -19.163 -11.324 2.188 857 HG SER 117 HG SER 117 -19.567 -13.121 3.327 858 H GLY 118 H GLY 118 -22.885 -9.867 4.041 859 HA2 GLY 118 1HA GLY 118 -21.107 -8.075 5.473 860 HA3 GLY 118 2HA GLY 118 -22.808 -8.370 5.775 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -30.158 4.343 -8.893 2 HA2 GLY 1 1HA GLY 1 -30.328 3.105 -6.466 3 HA3 GLY 1 2HA GLY 1 -31.474 2.232 -7.464 4 H SER 2 H SER 2 -29.706 0.510 -6.833 5 HA SER 2 HA SER 2 -28.258 0.030 -9.189 6 HB2 SER 2 1HB SER 2 -25.981 -0.117 -7.995 7 HB3 SER 2 2HB SER 2 -26.557 1.488 -8.401 8 HG SER 2 HG SER 2 -25.873 1.612 -6.268 9 H SER 3 H SER 3 -27.455 -2.191 -9.239 10 HA SER 3 HA SER 3 -28.186 -3.704 -6.858 11 HB2 SER 3 1HB SER 3 -28.956 -4.174 -9.743 12 HB3 SER 3 2HB SER 3 -28.761 -5.555 -8.682 13 HG SER 3 HG SER 3 -30.225 -3.827 -7.276 14 H GLY 4 H GLY 4 -26.909 -5.669 -6.514 15 HA2 GLY 4 1HA GLY 4 -25.069 -6.963 -6.626 16 HA3 GLY 4 2HA GLY 4 -24.865 -6.482 -8.298 17 H SER 5 H SER 5 -23.608 -6.231 -5.124 18 HA SER 5 HA SER 5 -21.577 -4.473 -6.084 19 HB2 SER 5 1HB SER 5 -23.711 -3.257 -4.790 20 HB3 SER 5 2HB SER 5 -22.594 -3.521 -3.465 21 HG SER 5 HG SER 5 -21.841 -1.623 -4.227 22 H SER 6 H SER 6 -23.042 -5.838 -3.039 23 HA SER 6 HA SER 6 -20.563 -6.251 -1.835 24 HB2 SER 6 1HB SER 6 -22.968 -6.144 -0.808 25 HB3 SER 6 2HB SER 6 -23.063 -7.851 -1.195 26 HG SER 6 HG SER 6 -21.102 -6.566 0.507 27 H GLY 7 H GLY 7 -19.016 -7.704 -2.470 28 HA2 GLY 7 1HA GLY 7 -19.121 -10.362 -2.548 29 HA3 GLY 7 2HA GLY 7 -19.783 -9.974 -4.123 30 H MET 8 H MET 8 -16.935 -10.622 -2.430 31 HA MET 8 HA MET 8 -15.364 -10.128 -4.687 32 HB2 MET 8 1HB MET 8 -15.601 -7.971 -2.699 33 HB3 MET 8 2HB MET 8 -13.943 -8.534 -2.783 34 HG2 MET 8 1HG MET 8 -13.743 -7.998 -5.102 35 HG3 MET 8 2HG MET 8 -15.479 -7.950 -5.339 36 HE1 MET 8 1HE MET 8 -13.548 -5.900 -6.391 37 HE2 MET 8 2HE MET 8 -15.254 -5.414 -6.543 38 HE3 MET 8 3HE MET 8 -14.061 -4.277 -5.868 39 H VAL 9 H VAL 9 -13.606 -11.510 -4.623 40 HA VAL 9 HA VAL 9 -13.282 -13.023 -2.177 41 HB VAL 9 HB VAL 9 -12.003 -14.533 -3.538 42 HG11 VAL 9 1HG1 VAL 9 -14.583 -13.527 -4.741 43 HG12 VAL 9 2HG1 VAL 9 -13.717 -14.918 -5.434 44 HG13 VAL 9 3HG1 VAL 9 -14.295 -14.978 -3.751 45 HG21 VAL 9 1HG2 VAL 9 -12.052 -13.760 -6.146 46 HG22 VAL 9 2HG2 VAL 9 -11.803 -12.192 -5.341 47 HG23 VAL 9 3HG2 VAL 9 -10.662 -13.529 -5.058 48 H THR 10 H THR 10 -11.998 -10.203 -3.612 49 HA THR 10 HA THR 10 -9.621 -10.437 -1.899 50 HB THR 10 HB THR 10 -9.743 -9.283 -4.735 51 HG1 THR 10 HG1 THR 10 -9.851 -11.663 -4.523 52 HG21 THR 10 1HG2 THR 10 -7.447 -8.839 -4.538 53 HG22 THR 10 2HG2 THR 10 -7.963 -8.491 -2.870 54 HG23 THR 10 3HG2 THR 10 -7.222 -10.061 -3.263 55 HA PRO 11 HA PRO 11 -11.386 -6.750 -0.435 56 HB2 PRO 11 1HB PRO 11 -9.753 -6.442 1.735 57 HB3 PRO 11 2HB PRO 11 -11.203 -7.426 1.759 58 HG2 PRO 11 1HG PRO 11 -8.378 -8.290 1.653 59 HG3 PRO 11 2HG PRO 11 -9.794 -9.220 2.100 60 HD2 PRO 11 1HD PRO 11 -8.374 -9.346 -0.389 61 HD3 PRO 11 2HD PRO 11 -9.856 -10.189 0.016 62 H SER 12 H SER 12 -10.938 -4.483 -0.226 63 HA SER 12 HA SER 12 -8.955 -3.790 -2.101 64 HB2 SER 12 1HB SER 12 -10.997 -2.362 -0.440 65 HB3 SER 12 2HB SER 12 -9.636 -1.400 -0.982 66 HG SER 12 HG SER 12 -10.867 -3.067 -2.928 67 H LEU 13 H LEU 13 -6.975 -2.606 -1.749 68 HA LEU 13 HA LEU 13 -5.866 -3.080 0.897 69 HB2 LEU 13 1HB LEU 13 -4.808 -3.759 -1.350 70 HB3 LEU 13 2HB LEU 13 -4.395 -2.065 -1.520 71 HG LEU 13 HG LEU 13 -2.802 -3.938 -0.374 72 HD11 LEU 13 1HD1 LEU 13 -2.423 -1.297 0.850 73 HD12 LEU 13 2HD1 LEU 13 -1.363 -2.231 -0.234 74 HD13 LEU 13 3HD1 LEU 13 -2.685 -1.249 -0.910 75 HD21 LEU 13 1HD2 LEU 13 -2.753 -3.576 2.051 76 HD22 LEU 13 2HD2 LEU 13 -4.217 -2.571 1.932 77 HD23 LEU 13 3HD2 LEU 13 -4.290 -4.301 1.522 78 H ARG 14 H ARG 14 -6.164 -1.515 2.389 79 HA ARG 14 HA ARG 14 -6.207 1.210 1.382 80 HB2 ARG 14 1HB ARG 14 -8.222 0.882 2.580 81 HB3 ARG 14 2HB ARG 14 -7.470 -0.168 3.764 82 HG2 ARG 14 1HG ARG 14 -6.398 1.682 4.883 83 HG3 ARG 14 2HG ARG 14 -6.724 2.776 3.553 84 HD2 ARG 14 1HD ARG 14 -8.275 3.112 5.514 85 HD3 ARG 14 2HD ARG 14 -9.123 2.758 4.022 86 HE ARG 14 HE ARG 14 -8.531 0.325 5.497 87 HH11 ARG 14 1HH1 ARG 14 -10.744 3.058 5.348 88 HH12 ARG 14 2HH1 ARG 14 -12.045 2.209 6.114 89 HH21 ARG 14 1HH2 ARG 14 -10.248 -0.794 6.507 90 HH22 ARG 14 2HH2 ARG 14 -11.762 0.003 6.777 91 H LEU 15 H LEU 15 -4.264 2.268 1.633 92 HA LEU 15 HA LEU 15 -2.474 1.354 3.736 93 HB2 LEU 15 1HB LEU 15 -2.109 3.161 1.347 94 HB3 LEU 15 2HB LEU 15 -0.869 2.897 2.557 95 HG LEU 15 HG LEU 15 -2.117 0.660 0.943 96 HD11 LEU 15 1HD1 LEU 15 -0.025 2.611 0.217 97 HD12 LEU 15 2HD1 LEU 15 0.395 0.904 -0.064 98 HD13 LEU 15 3HD1 LEU 15 -1.067 1.595 -0.809 99 HD21 LEU 15 1HD2 LEU 15 -0.875 0.317 3.230 100 HD22 LEU 15 2HD2 LEU 15 -0.559 -0.763 1.851 101 HD23 LEU 15 3HD2 LEU 15 0.583 0.547 2.235 102 H VAL 16 H VAL 16 -2.832 2.223 5.713 103 HA VAL 16 HA VAL 16 -3.702 5.017 5.802 104 HB VAL 16 HB VAL 16 -3.768 2.812 7.871 105 HG11 VAL 16 1HG1 VAL 16 -4.719 4.274 9.399 106 HG12 VAL 16 2HG1 VAL 16 -3.504 5.310 8.613 107 HG13 VAL 16 3HG1 VAL 16 -5.216 5.434 8.144 108 HG21 VAL 16 1HG2 VAL 16 -5.471 3.305 5.684 109 HG22 VAL 16 2HG2 VAL 16 -5.767 2.228 7.070 110 HG23 VAL 16 3HG2 VAL 16 -6.336 3.914 7.116 111 H PHE 17 H PHE 17 -2.287 6.583 6.388 112 HA PHE 17 HA PHE 17 0.376 5.770 7.105 113 HB2 PHE 17 1HB PHE 17 -1.115 8.418 6.650 114 HB3 PHE 17 2HB PHE 17 0.585 8.381 7.071 115 HD1 PHE 17 HD2 PHE 17 2.230 7.419 5.484 116 HD2 PHE 17 HD1 PHE 17 -1.853 7.898 4.435 117 HE1 PHE 17 HE2 PHE 17 2.825 7.170 3.058 118 HE2 PHE 17 HE1 PHE 17 -1.259 7.649 2.009 119 HZ PHE 17 HZ PHE 17 1.073 7.288 1.350 120 H VAL 18 H VAL 18 0.222 4.880 9.222 121 HA VAL 18 HA VAL 18 -1.088 6.332 11.295 122 HB VAL 18 HB VAL 18 0.019 4.600 12.730 123 HG11 VAL 18 1HG1 VAL 18 -1.267 2.667 11.670 124 HG12 VAL 18 2HG1 VAL 18 -2.194 4.148 12.012 125 HG13 VAL 18 3HG1 VAL 18 -1.668 3.791 10.349 126 HG21 VAL 18 1HG2 VAL 18 0.765 2.745 10.699 127 HG22 VAL 18 2HG2 VAL 18 1.638 4.265 10.391 128 HG23 VAL 18 3HG2 VAL 18 1.779 3.463 11.974 129 H LYS 19 H LYS 19 2.126 6.269 9.831 130 HA LYS 19 HA LYS 19 2.897 8.384 11.688 131 HB2 LYS 19 1HB LYS 19 4.544 5.910 11.097 132 HB3 LYS 19 2HB LYS 19 5.192 7.363 11.830 133 HG2 LYS 19 1HG LYS 19 2.904 6.881 13.362 134 HG3 LYS 19 2HG LYS 19 3.478 5.261 13.018 135 HD2 LYS 19 1HD LYS 19 5.730 5.842 13.884 136 HD3 LYS 19 2HD LYS 19 5.222 7.497 14.156 137 HE2 LYS 19 1HE LYS 19 3.309 6.390 15.626 138 HE3 LYS 19 2HE LYS 19 4.364 4.992 15.634 139 HZ1 LYS 19 1HZ LYS 19 6.107 6.362 16.522 140 HZ2 LYS 19 2HZ LYS 19 5.164 7.695 16.467 141 HZ3 LYS 19 3HZ LYS 19 4.788 6.470 17.480 142 H GLY 20 H GLY 20 5.363 9.037 10.705 143 HA2 GLY 20 1HA GLY 20 6.533 9.694 8.842 144 HA3 GLY 20 2HA GLY 20 5.260 9.088 7.801 145 HA PRO 21 HA PRO 21 4.833 13.623 8.012 146 HB2 PRO 21 1HB PRO 21 5.152 14.174 5.354 147 HB3 PRO 21 2HB PRO 21 6.461 14.265 6.516 148 HG2 PRO 21 1HG PRO 21 5.935 12.193 4.474 149 HG3 PRO 21 2HG PRO 21 7.423 12.532 5.336 150 HD2 PRO 21 1HD PRO 21 5.597 10.378 5.843 151 HD3 PRO 21 2HD PRO 21 7.023 10.786 6.777 152 H ARG 22 H ARG 22 3.435 11.122 6.129 153 HA ARG 22 HA ARG 22 1.176 12.811 5.553 154 HB2 ARG 22 1HB ARG 22 2.377 10.490 4.342 155 HB3 ARG 22 2HB ARG 22 0.753 10.033 4.815 156 HG2 ARG 22 1HG ARG 22 -0.259 11.675 3.443 157 HG3 ARG 22 2HG ARG 22 1.178 12.676 3.400 158 HD2 ARG 22 1HD ARG 22 2.205 11.388 1.736 159 HD3 ARG 22 2HD ARG 22 1.400 9.911 2.225 160 HE ARG 22 HE ARG 22 -0.607 11.702 1.295 161 HH11 ARG 22 1HH1 ARG 22 2.143 9.911 0.025 162 HH12 ARG 22 2HH1 ARG 22 1.480 9.774 -1.570 163 HH21 ARG 22 1HH2 ARG 22 -1.482 11.522 -0.809 164 HH22 ARG 22 2HH2 ARG 22 -0.595 10.697 -2.047 165 H GLU 23 H GLU 23 2.203 11.346 8.260 166 HA GLU 23 HA GLU 23 0.491 9.487 9.094 167 HB2 GLU 23 1HB GLU 23 2.295 10.290 10.504 168 HB3 GLU 23 2HB GLU 23 1.580 11.886 10.620 169 HG2 GLU 23 1HG GLU 23 -0.408 9.974 11.470 170 HG3 GLU 23 2HG GLU 23 1.091 9.579 12.287 171 H GLY 24 H GLY 24 -1.703 9.298 9.098 172 HA2 GLY 24 1HA GLY 24 -3.754 10.114 10.063 173 HA3 GLY 24 2HA GLY 24 -3.281 11.743 9.623 174 H ASP 25 H ASP 25 -2.150 9.976 7.067 175 HA ASP 25 HA ASP 25 -4.528 10.599 5.558 176 HB2 ASP 25 1HB ASP 25 -1.626 10.056 4.925 177 HB3 ASP 25 2HB ASP 25 -2.805 9.765 3.661 178 H ALA 26 H ALA 26 -5.296 8.937 3.897 179 HA ALA 26 HA ALA 26 -4.422 6.225 4.261 180 HB1 ALA 26 1HB ALA 26 -7.316 6.850 4.912 181 HB2 ALA 26 2HB ALA 26 -6.415 5.340 5.187 182 HB3 ALA 26 3HB ALA 26 -6.065 6.778 6.176 183 H LEU 27 H LEU 27 -4.743 5.081 2.377 184 HA LEU 27 HA LEU 27 -6.483 6.378 0.396 185 HB2 LEU 27 1HB LEU 27 -3.888 4.923 -0.127 186 HB3 LEU 27 2HB LEU 27 -4.929 5.663 -1.327 187 HG LEU 27 HG LEU 27 -3.953 7.453 0.836 188 HD11 LEU 27 1HD1 LEU 27 -1.758 7.761 -0.179 189 HD12 LEU 27 2HD1 LEU 27 -1.959 6.092 0.406 190 HD13 LEU 27 3HD1 LEU 27 -2.090 6.447 -1.333 191 HD21 LEU 27 1HD2 LEU 27 -4.774 7.613 -2.006 192 HD22 LEU 27 2HD2 LEU 27 -5.062 8.734 -0.654 193 HD23 LEU 27 3HD2 LEU 27 -3.491 8.734 -1.491 194 H ASP 28 H ASP 28 -7.060 4.689 -1.424 195 HA ASP 28 HA ASP 28 -7.317 2.050 -0.294 196 HB2 ASP 28 1HB ASP 28 -9.737 1.954 -0.715 197 HB3 ASP 28 2HB ASP 28 -9.380 3.254 0.404 198 H TYR 29 H TYR 29 -7.440 0.444 -1.983 199 HA TYR 29 HA TYR 29 -7.703 1.451 -4.718 200 HB2 TYR 29 1HB TYR 29 -5.513 -0.310 -3.453 201 HB3 TYR 29 2HB TYR 29 -5.688 -0.123 -5.187 202 HD1 TYR 29 HD1 TYR 29 -4.744 1.588 -2.054 203 HD2 TYR 29 HD2 TYR 29 -4.970 1.897 -6.316 204 HE1 TYR 29 HE1 TYR 29 -3.263 3.653 -1.990 205 HE2 TYR 29 HE2 TYR 29 -3.488 3.962 -6.237 206 HH TYR 29 HH TYR 29 -2.091 5.061 -3.177 207 H LYS 30 H LYS 30 -7.890 -0.455 -6.310 208 HA LYS 30 HA LYS 30 -9.768 -2.320 -5.141 209 HB2 LYS 30 1HB LYS 30 -9.114 -1.329 -7.878 210 HB3 LYS 30 2HB LYS 30 -9.774 -2.947 -7.751 211 HG2 LYS 30 1HG LYS 30 -11.734 -2.121 -6.527 212 HG3 LYS 30 2HG LYS 30 -11.045 -0.514 -6.413 213 HD2 LYS 30 1HD LYS 30 -10.964 -1.003 -9.161 214 HD3 LYS 30 2HD LYS 30 -12.447 -1.804 -8.683 215 HE2 LYS 30 1HE LYS 30 -13.513 0.171 -8.181 216 HE3 LYS 30 2HE LYS 30 -12.087 0.873 -7.442 217 HZ1 LYS 30 1HZ LYS 30 -11.208 1.256 -9.648 218 HZ2 LYS 30 2HZ LYS 30 -12.541 0.606 -10.334 219 HZ3 LYS 30 3HZ LYS 30 -12.657 1.989 -9.473 220 HA PRO 31 HA PRO 31 -7.103 -5.713 -5.159 221 HB2 PRO 31 1HB PRO 31 -8.712 -7.809 -5.855 222 HB3 PRO 31 2HB PRO 31 -8.694 -7.108 -4.250 223 HG2 PRO 31 1HG PRO 31 -10.720 -6.807 -6.381 224 HG3 PRO 31 2HG PRO 31 -10.874 -6.482 -4.666 225 HD2 PRO 31 1HD PRO 31 -10.551 -4.546 -6.758 226 HD3 PRO 31 2HD PRO 31 -10.589 -4.230 -5.035 227 H GLY 32 H GLY 32 -5.383 -6.214 -6.353 228 HA2 GLY 32 1HA GLY 32 -4.512 -7.358 -8.217 229 HA3 GLY 32 2HA GLY 32 -5.955 -6.978 -9.136 230 H SER 33 H SER 33 -4.912 -4.310 -7.201 231 HA SER 33 HA SER 33 -3.702 -3.151 -9.586 232 HB2 SER 33 1HB SER 33 -5.540 -2.096 -7.479 233 HB3 SER 33 2HB SER 33 -4.293 -0.988 -8.016 234 HG SER 33 HG SER 33 -6.493 -1.146 -9.218 235 H THR 34 H THR 34 -1.519 -2.774 -9.476 236 HA THR 34 HA THR 34 -0.147 -3.165 -6.992 237 HB THR 34 HB THR 34 0.709 -2.369 -9.823 238 HG1 THR 34 HG1 THR 34 1.128 -4.635 -9.861 239 HG21 THR 34 1HG2 THR 34 2.539 -3.573 -7.729 240 HG22 THR 34 2HG2 THR 34 2.964 -2.641 -9.184 241 HG23 THR 34 3HG2 THR 34 2.311 -1.808 -7.753 242 H ILE 35 H ILE 35 0.634 -1.722 -5.553 243 HA ILE 35 HA ILE 35 0.234 1.102 -6.263 244 HB ILE 35 HB ILE 35 -0.043 -0.242 -3.572 245 HG12 ILE 35 1HG1 ILE 35 -2.415 1.088 -4.326 246 HG13 ILE 35 2HG1 ILE 35 -1.913 0.181 -5.739 247 HG21 ILE 35 1HG2 ILE 35 -1.079 2.203 -3.196 248 HG22 ILE 35 2HG2 ILE 35 0.627 1.806 -2.877 249 HG23 ILE 35 3HG2 ILE 35 0.168 2.603 -4.401 250 HD11 ILE 35 1HD1 ILE 35 -3.183 -1.400 -4.536 251 HD12 ILE 35 2HD1 ILE 35 -1.518 -1.799 -4.052 252 HD13 ILE 35 3HD1 ILE 35 -2.557 -0.849 -2.964 253 H ARG 36 H ARG 36 2.276 1.629 -7.003 254 HA ARG 36 HA ARG 36 4.552 0.633 -5.655 255 HB2 ARG 36 1HB ARG 36 4.347 2.903 -7.698 256 HB3 ARG 36 2HB ARG 36 5.816 2.056 -7.256 257 HG2 ARG 36 1HG ARG 36 3.808 0.100 -8.006 258 HG3 ARG 36 2HG ARG 36 3.892 1.324 -9.257 259 HD2 ARG 36 1HD ARG 36 6.600 0.762 -8.522 260 HD3 ARG 36 2HD ARG 36 5.800 -0.792 -8.648 261 HE ARG 36 HE ARG 36 5.060 0.860 -10.891 262 HH11 ARG 36 1HH1 ARG 36 7.759 -1.008 -9.623 263 HH12 ARG 36 2HH1 ARG 36 8.442 -1.321 -11.184 264 HH21 ARG 36 1HH2 ARG 36 5.961 0.448 -12.950 265 HH22 ARG 36 2HH2 ARG 36 7.412 -0.487 -13.089 266 H VAL 37 H VAL 37 5.491 1.507 -3.831 267 HA VAL 37 HA VAL 37 4.750 4.271 -3.169 268 HB VAL 37 HB VAL 37 5.647 2.041 -1.335 269 HG11 VAL 37 1HG1 VAL 37 5.202 4.910 -0.986 270 HG12 VAL 37 2HG1 VAL 37 4.226 3.926 0.131 271 HG13 VAL 37 3HG1 VAL 37 5.995 3.735 0.090 272 HG21 VAL 37 1HG2 VAL 37 2.958 2.810 -2.365 273 HG22 VAL 37 2HG2 VAL 37 3.582 1.225 -1.849 274 HG23 VAL 37 3HG2 VAL 37 3.083 2.424 -0.632 275 H GLY 38 H GLY 38 6.330 5.766 -3.363 276 HA2 GLY 38 1HA GLY 38 9.107 4.913 -2.895 277 HA3 GLY 38 2HA GLY 38 8.691 5.696 -4.406 278 H ARG 39 H ARG 39 10.000 7.556 -3.984 279 HA ARG 39 HA ARG 39 9.184 9.094 -1.669 280 HB2 ARG 39 1HB ARG 39 11.576 8.844 -1.766 281 HB3 ARG 39 2HB ARG 39 11.626 9.169 -3.487 282 HG2 ARG 39 1HG ARG 39 11.208 11.505 -3.185 283 HG3 ARG 39 2HG ARG 39 10.606 11.280 -1.554 284 HD2 ARG 39 1HD ARG 39 12.691 11.565 -0.701 285 HD3 ARG 39 2HD ARG 39 13.303 10.235 -1.663 286 HE ARG 39 HE ARG 39 12.937 12.728 -3.177 287 HH11 ARG 39 1HH1 ARG 39 15.151 10.810 -1.227 288 HH12 ARG 39 2HH1 ARG 39 16.572 11.570 -1.861 289 HH21 ARG 39 1HH2 ARG 39 14.812 13.732 -4.015 290 HH22 ARG 39 2HH2 ARG 39 16.377 13.243 -3.458 291 H ILE 40 H ILE 40 9.643 9.246 -5.250 292 HA ILE 40 HA ILE 40 8.431 11.884 -5.312 293 HB ILE 40 HB ILE 40 8.937 11.712 -7.748 294 HG12 ILE 40 1HG1 ILE 40 10.563 9.260 -7.072 295 HG13 ILE 40 2HG1 ILE 40 8.918 9.132 -7.664 296 HG21 ILE 40 1HG2 ILE 40 10.488 12.953 -6.560 297 HG22 ILE 40 2HG2 ILE 40 11.053 11.551 -5.620 298 HG23 ILE 40 3HG2 ILE 40 11.503 11.713 -7.335 299 HD11 ILE 40 1HD1 ILE 40 9.944 10.931 -9.469 300 HD12 ILE 40 2HD1 ILE 40 11.390 9.961 -9.100 301 HD13 ILE 40 3HD1 ILE 40 9.923 9.170 -9.723 302 H VAL 41 H VAL 41 6.433 12.355 -6.309 303 HA VAL 41 HA VAL 41 4.563 10.194 -6.166 304 HB VAL 41 HB VAL 41 2.993 12.060 -6.918 305 HG11 VAL 41 1HG1 VAL 41 3.478 11.271 -4.536 306 HG12 VAL 41 2HG1 VAL 41 4.541 12.691 -4.395 307 HG13 VAL 41 3HG1 VAL 41 2.804 12.908 -4.717 308 HG21 VAL 41 1HG2 VAL 41 5.341 13.350 -7.603 309 HG22 VAL 41 2HG2 VAL 41 3.743 14.114 -7.424 310 HG23 VAL 41 3HG2 VAL 41 4.893 14.126 -6.066 311 H ARG 42 H ARG 42 6.289 12.047 -8.687 312 HA ARG 42 HA ARG 42 4.683 11.068 -10.772 313 HB2 ARG 42 1HB ARG 42 7.436 12.378 -10.668 314 HB3 ARG 42 2HB ARG 42 6.723 11.875 -12.188 315 HG2 ARG 42 1HG ARG 42 5.392 13.712 -12.246 316 HG3 ARG 42 2HG ARG 42 4.742 13.354 -10.659 317 HD2 ARG 42 1HD ARG 42 6.148 14.838 -9.600 318 HD3 ARG 42 2HD ARG 42 7.522 14.411 -10.599 319 HE ARG 42 HE ARG 42 5.594 15.822 -12.200 320 HH11 ARG 42 1HH1 ARG 42 7.944 16.371 -9.638 321 HH12 ARG 42 2HH1 ARG 42 8.218 18.026 -10.069 322 HH21 ARG 42 1HH2 ARG 42 5.956 18.006 -12.769 323 HH22 ARG 42 2HH2 ARG 42 7.080 18.962 -11.862 324 H GLY 43 H GLY 43 4.603 8.866 -11.175 325 HA2 GLY 43 1HA GLY 43 6.002 7.223 -12.429 326 HA3 GLY 43 2HA GLY 43 7.169 7.392 -11.133 327 H ASN 44 H ASN 44 5.972 7.229 -8.784 328 HA ASN 44 HA ASN 44 4.621 4.673 -8.943 329 HB2 ASN 44 1HB ASN 44 5.559 6.005 -6.373 330 HB3 ASN 44 2HB ASN 44 5.371 4.293 -6.698 331 HD21 ASN 44 1HD2 ASN 44 7.376 7.086 -6.978 332 HD22 ASN 44 2HD2 ASN 44 8.807 6.328 -7.594 333 H GLU 45 H GLU 45 2.600 4.341 -7.727 334 HA GLU 45 HA GLU 45 0.811 6.385 -7.888 335 HB2 GLU 45 1HB GLU 45 0.822 3.863 -6.185 336 HB3 GLU 45 2HB GLU 45 -0.565 4.932 -6.253 337 HG2 GLU 45 1HG GLU 45 0.701 3.397 -8.562 338 HG3 GLU 45 2HG GLU 45 -0.911 3.191 -7.906 339 H ILE 46 H ILE 46 2.151 5.018 -4.785 340 HA ILE 46 HA ILE 46 1.534 7.581 -3.529 341 HB ILE 46 HB ILE 46 2.260 4.908 -2.325 342 HG12 ILE 46 1HG1 ILE 46 -0.447 6.264 -2.458 343 HG13 ILE 46 2HG1 ILE 46 0.067 4.991 -3.547 344 HG21 ILE 46 1HG2 ILE 46 1.619 7.592 -1.130 345 HG22 ILE 46 2HG2 ILE 46 1.243 6.088 -0.255 346 HG23 ILE 46 3HG2 ILE 46 2.922 6.449 -0.723 347 HD11 ILE 46 1HD1 ILE 46 -1.102 3.828 -1.845 348 HD12 ILE 46 2HD1 ILE 46 0.605 3.622 -1.384 349 HD13 ILE 46 3HD1 ILE 46 -0.402 4.832 -0.553 350 H ALA 47 H ALA 47 3.115 8.851 -2.507 351 HA ALA 47 HA ALA 47 5.843 7.915 -2.503 352 HB1 ALA 47 1HB ALA 47 5.252 8.879 -4.849 353 HB2 ALA 47 2HB ALA 47 5.243 10.458 -4.027 354 HB3 ALA 47 3HB ALA 47 6.722 9.468 -4.036 355 H ILE 48 H ILE 48 6.610 8.518 -0.546 356 HA ILE 48 HA ILE 48 5.399 10.900 0.665 357 HB ILE 48 HB ILE 48 6.861 8.645 2.035 358 HG12 ILE 48 1HG1 ILE 48 4.017 8.673 2.520 359 HG13 ILE 48 2HG1 ILE 48 4.316 8.542 0.799 360 HG21 ILE 48 1HG2 ILE 48 6.749 10.875 3.182 361 HG22 ILE 48 2HG2 ILE 48 4.977 10.710 3.192 362 HG23 ILE 48 3HG2 ILE 48 5.985 9.532 4.066 363 HD11 ILE 48 1HD1 ILE 48 5.662 6.792 2.908 364 HD12 ILE 48 2HD1 ILE 48 4.240 6.312 1.950 365 HD13 ILE 48 3HD1 ILE 48 5.798 6.614 1.142 366 H LYS 49 H LYS 49 6.606 12.712 0.765 367 HA LYS 49 HA LYS 49 9.400 12.507 0.056 368 HB2 LYS 49 1HB LYS 49 7.688 14.946 0.620 369 HB3 LYS 49 2HB LYS 49 9.300 14.947 -0.067 370 HG2 LYS 49 1HG LYS 49 6.939 13.486 -1.338 371 HG3 LYS 49 2HG LYS 49 7.398 15.123 -1.763 372 HD2 LYS 49 1HD LYS 49 9.338 12.772 -1.914 373 HD3 LYS 49 2HD LYS 49 8.342 13.268 -3.268 374 HE2 LYS 49 1HE LYS 49 10.194 15.211 -1.820 375 HE3 LYS 49 2HE LYS 49 10.736 14.240 -3.174 376 HZ1 LYS 49 1HZ LYS 49 8.274 15.613 -3.639 377 HZ2 LYS 49 2HZ LYS 49 9.545 16.608 -3.394 378 HZ3 LYS 49 3HZ LYS 49 9.597 15.496 -4.589 379 H ASP 50 H ASP 50 9.533 11.115 2.196 380 HA ASP 50 HA ASP 50 9.840 12.912 4.451 381 HB2 ASP 50 1HB ASP 50 8.530 10.922 4.929 382 HB3 ASP 50 2HB ASP 50 9.723 9.879 4.181 383 H ALA 51 H ALA 51 11.610 11.848 1.856 384 HA ALA 51 HA ALA 51 13.795 11.942 1.428 385 HB1 ALA 51 1HB ALA 51 14.808 12.041 4.199 386 HB2 ALA 51 2HB ALA 51 15.124 13.130 2.826 387 HB3 ALA 51 3HB ALA 51 13.653 13.337 3.807 388 H GLY 52 H GLY 52 13.312 10.226 4.602 389 HA2 GLY 52 1HA GLY 52 15.150 8.250 4.389 390 HA3 GLY 52 2HA GLY 52 13.571 8.043 5.120 391 H ILE 53 H ILE 53 12.228 8.684 2.422 392 HA ILE 53 HA ILE 53 12.472 5.969 1.394 393 HB ILE 53 HB ILE 53 10.405 8.122 0.929 394 HG12 ILE 53 1HG1 ILE 53 9.686 5.612 2.314 395 HG13 ILE 53 2HG1 ILE 53 10.775 6.655 3.206 396 HG21 ILE 53 1HG2 ILE 53 9.080 6.305 -0.113 397 HG22 ILE 53 2HG2 ILE 53 10.553 6.714 -1.025 398 HG23 ILE 53 3HG2 ILE 53 10.507 5.246 -0.019 399 HD11 ILE 53 1HD1 ILE 53 8.981 7.904 3.796 400 HD12 ILE 53 2HD1 ILE 53 8.843 8.407 2.094 401 HD13 ILE 53 3HD1 ILE 53 7.929 6.997 2.682 402 H SER 54 H SER 54 12.671 5.570 -0.921 403 HA SER 54 HA SER 54 14.042 7.794 -2.221 404 HB2 SER 54 1HB SER 54 14.744 4.936 -1.893 405 HB3 SER 54 2HB SER 54 14.884 5.495 -3.548 406 HG SER 54 HG SER 54 16.290 7.198 -2.834 407 H THR 55 H THR 55 13.802 7.877 -4.632 408 HA THR 55 HA THR 55 11.290 7.958 -5.540 409 HB THR 55 HB THR 55 12.381 7.599 -7.836 410 HG1 THR 55 HG1 THR 55 14.785 7.413 -6.210 411 HG21 THR 55 1HG2 THR 55 14.370 9.308 -7.275 412 HG22 THR 55 2HG2 THR 55 12.677 9.855 -7.224 413 HG23 THR 55 3HG2 THR 55 13.522 9.435 -5.715 414 H LYS 56 H LYS 56 13.400 5.035 -5.978 415 HA LYS 56 HA LYS 56 10.899 3.523 -6.282 416 HB2 LYS 56 1HB LYS 56 13.443 3.511 -7.761 417 HB3 LYS 56 2HB LYS 56 12.902 1.914 -7.284 418 HG2 LYS 56 1HG LYS 56 11.185 1.937 -8.782 419 HG3 LYS 56 2HG LYS 56 10.662 3.532 -8.279 420 HD2 LYS 56 1HD LYS 56 13.207 3.587 -9.788 421 HD3 LYS 56 2HD LYS 56 11.885 2.906 -10.715 422 HE2 LYS 56 1HE LYS 56 10.817 5.197 -9.372 423 HE3 LYS 56 2HE LYS 56 12.373 5.688 -10.010 424 HZ1 LYS 56 1HZ LYS 56 11.689 5.352 -12.120 425 HZ2 LYS 56 2HZ LYS 56 10.646 4.151 -11.752 426 HZ3 LYS 56 3HZ LYS 56 10.234 5.706 -11.468 427 H HIS 57 H HIS 57 10.825 3.617 -3.857 428 HA HIS 57 HA HIS 57 12.885 2.251 -2.447 429 HB2 HIS 57 1HB HIS 57 11.552 4.077 -1.463 430 HB3 HIS 57 2HB HIS 57 10.105 3.097 -1.583 431 HD2 HIS 57 HD2 HIS 57 11.122 0.305 -0.237 432 HE1 HIS 57 HE1 HIS 57 12.366 2.722 3.037 433 HE2 HIS 57 HE2 HIS 57 11.748 0.342 2.233 434 H LEU 58 H LEU 58 9.352 1.508 -2.927 435 HA LEU 58 HA LEU 58 10.006 -1.211 -3.564 436 HB2 LEU 58 1HB LEU 58 8.667 -2.163 -1.714 437 HB3 LEU 58 2HB LEU 58 10.196 -1.459 -1.226 438 HG LEU 58 HG LEU 58 9.135 0.432 -0.241 439 HD11 LEU 58 1HD1 LEU 58 6.586 0.617 -0.296 440 HD12 LEU 58 2HD1 LEU 58 7.474 1.072 -1.770 441 HD13 LEU 58 3HD1 LEU 58 6.652 -0.504 -1.676 442 HD21 LEU 58 1HD2 LEU 58 9.064 -1.196 1.368 443 HD22 LEU 58 2HD2 LEU 58 7.334 -0.797 1.239 444 HD23 LEU 58 3HD2 LEU 58 7.977 -2.244 0.426 445 H ARG 59 H ARG 59 7.800 -2.476 -3.827 446 HA ARG 59 HA ARG 59 5.764 -0.584 -4.645 447 HB2 ARG 59 1HB ARG 59 5.515 -1.559 -6.822 448 HB3 ARG 59 2HB ARG 59 7.245 -1.360 -6.619 449 HG2 ARG 59 1HG ARG 59 7.320 -3.783 -5.769 450 HG3 ARG 59 2HG ARG 59 5.644 -3.933 -6.258 451 HD2 ARG 59 1HD ARG 59 6.146 -3.824 -8.544 452 HD3 ARG 59 2HD ARG 59 7.580 -2.847 -8.297 453 HE ARG 59 HE ARG 59 8.178 -5.286 -7.067 454 HH11 ARG 59 1HH1 ARG 59 7.231 -4.268 -10.300 455 HH12 ARG 59 2HH1 ARG 59 8.064 -5.565 -11.090 456 HH21 ARG 59 1HH2 ARG 59 9.276 -6.997 -8.110 457 HH22 ARG 59 2HH2 ARG 59 9.235 -7.128 -9.836 458 H ILE 60 H ILE 60 3.611 -1.376 -4.383 459 HA ILE 60 HA ILE 60 3.474 -3.976 -3.037 460 HB ILE 60 HB ILE 60 2.055 -1.385 -2.721 461 HG12 ILE 60 1HG1 ILE 60 2.748 -3.498 -0.671 462 HG13 ILE 60 2HG1 ILE 60 3.908 -2.306 -1.225 463 HG21 ILE 60 1HG2 ILE 60 0.129 -2.412 -1.658 464 HG22 ILE 60 2HG2 ILE 60 0.246 -2.931 -3.357 465 HG23 ILE 60 3HG2 ILE 60 0.745 -4.035 -2.053 466 HD11 ILE 60 1HD1 ILE 60 2.966 -1.285 0.686 467 HD12 ILE 60 2HD1 ILE 60 2.055 -0.541 -0.649 468 HD13 ILE 60 3HD1 ILE 60 1.326 -1.859 0.299 469 H GLU 61 H GLU 61 2.088 -5.585 -3.774 470 HA GLU 61 HA GLU 61 0.377 -4.909 -5.994 471 HB2 GLU 61 1HB GLU 61 1.282 -6.974 -7.250 472 HB3 GLU 61 2HB GLU 61 2.275 -5.531 -7.271 473 HG2 GLU 61 1HG GLU 61 2.825 -7.281 -4.944 474 HG3 GLU 61 2HG GLU 61 3.118 -8.072 -6.480 475 H SER 62 H SER 62 -0.733 -7.232 -6.705 476 HA SER 62 HA SER 62 -1.196 -8.734 -4.270 477 HB2 SER 62 1HB SER 62 -3.071 -7.345 -4.093 478 HB3 SER 62 2HB SER 62 -3.229 -7.148 -5.827 479 HG SER 62 HG SER 62 -4.058 -9.345 -4.175 480 H ASP 63 H ASP 63 -1.623 -10.952 -4.652 481 HA ASP 63 HA ASP 63 -1.066 -11.774 -7.336 482 HB2 ASP 63 1HB ASP 63 -0.316 -12.788 -4.950 483 HB3 ASP 63 2HB ASP 63 -1.796 -13.707 -5.138 484 H SER 64 H SER 64 -2.588 -14.371 -6.963 485 HA SER 64 HA SER 64 -4.773 -13.955 -8.373 486 HB2 SER 64 1HB SER 64 -3.989 -16.188 -7.708 487 HB3 SER 64 2HB SER 64 -4.473 -15.905 -6.047 488 HG SER 64 HG SER 64 -6.614 -15.445 -7.699 489 H GLY 65 H GLY 65 -5.172 -14.536 -4.806 490 HA2 GLY 65 1HA GLY 65 -7.110 -12.310 -4.736 491 HA3 GLY 65 2HA GLY 65 -7.535 -13.896 -4.124 492 H ASN 66 H ASN 66 -4.421 -12.040 -3.918 493 HA ASN 66 HA ASN 66 -4.871 -11.642 -1.118 494 HB2 ASN 66 1HB ASN 66 -2.734 -13.509 -2.224 495 HB3 ASN 66 2HB ASN 66 -2.455 -12.656 -0.719 496 HD21 ASN 66 1HD2 ASN 66 -2.953 -15.533 -1.512 497 HD22 ASN 66 2HD2 ASN 66 -4.188 -16.102 -0.439 498 H TRP 67 H TRP 67 -2.868 -10.350 -0.195 499 HA TRP 67 HA TRP 67 -1.782 -8.693 -2.369 500 HB2 TRP 67 1HB TRP 67 -2.552 -7.985 0.464 501 HB3 TRP 67 2HB TRP 67 -1.592 -6.941 -0.565 502 HD1 TRP 67 HD1 TRP 67 -5.183 -8.373 -0.334 503 HE1 TRP 67 HE1 TRP 67 -6.876 -6.909 -1.733 504 HE3 TRP 67 HE3 TRP 67 -1.661 -5.375 -2.447 505 HZ2 TRP 67 HZ2 TRP 67 -6.559 -4.712 -3.526 506 HZ3 TRP 67 HZ3 TRP 67 -2.437 -3.595 -4.010 507 HH2 TRP 67 HH2 TRP 67 -4.792 -3.239 -4.560 508 H VAL 68 H VAL 68 0.472 -8.137 -2.239 509 HA VAL 68 HA VAL 68 1.985 -9.414 -0.104 510 HB VAL 68 HB VAL 68 3.399 -10.612 -1.546 511 HG11 VAL 68 1HG1 VAL 68 1.306 -11.768 -1.103 512 HG12 VAL 68 2HG1 VAL 68 0.540 -10.980 -2.503 513 HG13 VAL 68 3HG1 VAL 68 1.864 -12.144 -2.751 514 HG21 VAL 68 1HG2 VAL 68 3.945 -9.828 -3.560 515 HG22 VAL 68 2HG2 VAL 68 2.336 -10.295 -4.161 516 HG23 VAL 68 3HG2 VAL 68 2.599 -8.664 -3.500 517 H ILE 69 H ILE 69 4.134 -8.487 0.156 518 HA ILE 69 HA ILE 69 4.424 -5.942 -1.282 519 HB ILE 69 HB ILE 69 3.588 -5.539 0.960 520 HG12 ILE 69 1HG1 ILE 69 6.405 -4.686 1.287 521 HG13 ILE 69 2HG1 ILE 69 5.678 -4.282 -0.255 522 HG21 ILE 69 1HG2 ILE 69 4.235 -7.448 2.191 523 HG22 ILE 69 2HG2 ILE 69 5.959 -7.202 1.822 524 HG23 ILE 69 3HG2 ILE 69 5.115 -6.079 2.914 525 HD11 ILE 69 1HD1 ILE 69 4.534 -2.587 0.709 526 HD12 ILE 69 2HD1 ILE 69 3.734 -3.737 1.807 527 HD13 ILE 69 3HD1 ILE 69 5.281 -2.991 2.274 528 H GLN 70 H GLN 70 6.542 -5.354 -1.883 529 HA GLN 70 HA GLN 70 8.594 -7.283 -1.195 530 HB2 GLN 70 1HB GLN 70 7.667 -7.985 -3.390 531 HB3 GLN 70 2HB GLN 70 7.964 -6.386 -4.042 532 HG2 GLN 70 1HG GLN 70 10.242 -6.727 -4.230 533 HG3 GLN 70 2HG GLN 70 10.332 -7.686 -2.766 534 HE21 GLN 70 1HE2 GLN 70 8.921 -9.784 -2.955 535 HE22 GLN 70 2HE2 GLN 70 9.224 -10.755 -4.356 536 H ASP 71 H ASP 71 10.466 -6.268 -0.576 537 HA ASP 71 HA ASP 71 10.508 -3.427 -0.778 538 HB2 ASP 71 1HB ASP 71 11.273 -4.475 1.287 539 HB3 ASP 71 2HB ASP 71 12.407 -5.490 0.419 540 H LEU 72 H LEU 72 11.155 -2.599 -2.788 541 HA LEU 72 HA LEU 72 12.851 -4.059 -4.525 542 HB2 LEU 72 1HB LEU 72 11.775 -1.243 -4.541 543 HB3 LEU 72 2HB LEU 72 12.814 -1.870 -5.805 544 HG LEU 72 HG LEU 72 11.198 -3.311 -6.630 545 HD11 LEU 72 1HD1 LEU 72 10.724 -4.431 -4.478 546 HD12 LEU 72 2HD1 LEU 72 9.633 -3.093 -4.044 547 HD13 LEU 72 3HD1 LEU 72 9.257 -4.130 -5.440 548 HD21 LEU 72 1HD2 LEU 72 10.609 -0.844 -6.812 549 HD22 LEU 72 2HD2 LEU 72 9.288 -2.006 -7.082 550 HD23 LEU 72 3HD2 LEU 72 9.408 -1.139 -5.531 551 H GLY 73 H GLY 73 14.408 -4.329 -2.496 552 HA2 GLY 73 1HA GLY 73 16.289 -3.694 -1.380 553 HA3 GLY 73 2HA GLY 73 16.851 -3.429 -3.018 554 H SER 74 H SER 74 14.661 -1.704 -0.670 555 HA SER 74 HA SER 74 15.129 0.795 -1.675 556 HB2 SER 74 1HB SER 74 14.011 1.603 0.237 557 HB3 SER 74 2HB SER 74 13.406 -0.035 0.087 558 HG SER 74 HG SER 74 15.430 -0.475 1.589 559 H SER 75 H SER 75 16.097 2.564 0.165 560 HA SER 75 HA SER 75 18.851 2.190 -0.069 561 HB2 SER 75 1HB SER 75 16.997 4.256 0.915 562 HB3 SER 75 2HB SER 75 18.476 4.200 1.853 563 HG SER 75 HG SER 75 18.663 5.629 0.014 564 H ASN 76 H ASN 76 16.742 2.458 2.895 565 HA ASN 76 HA ASN 76 18.858 1.259 4.422 566 HB2 ASN 76 1HB ASN 76 16.063 2.161 5.298 567 HB3 ASN 76 2HB ASN 76 17.386 1.752 6.373 568 HD21 ASN 76 1HD2 ASN 76 15.791 4.193 4.779 569 HD22 ASN 76 2HD2 ASN 76 16.958 5.469 4.893 570 H GLY 77 H GLY 77 15.273 0.771 3.912 571 HA2 GLY 77 1HA GLY 77 15.047 -1.728 3.102 572 HA3 GLY 77 2HA GLY 77 15.511 -2.012 4.768 573 H THR 78 H THR 78 13.044 -2.936 3.962 574 HA THR 78 HA THR 78 11.161 -0.936 5.025 575 HB THR 78 HB THR 78 10.631 -3.393 3.275 576 HG1 THR 78 HG1 THR 78 11.308 -1.994 1.703 577 HG21 THR 78 1HG2 THR 78 8.936 -0.882 3.519 578 HG22 THR 78 2HG2 THR 78 8.453 -2.500 2.955 579 HG23 THR 78 3HG2 THR 78 8.727 -2.207 4.689 580 H LEU 79 H LEU 79 9.850 -1.403 6.757 581 HA LEU 79 HA LEU 79 10.480 -3.954 8.072 582 HB2 LEU 79 1HB LEU 79 10.075 -1.178 9.124 583 HB3 LEU 79 2HB LEU 79 9.699 -2.557 10.138 584 HG LEU 79 HG LEU 79 12.397 -2.148 8.827 585 HD11 LEU 79 1HD1 LEU 79 13.063 -1.524 11.246 586 HD12 LEU 79 2HD1 LEU 79 12.280 -0.295 10.224 587 HD13 LEU 79 3HD1 LEU 79 11.335 -1.156 11.462 588 HD21 LEU 79 1HD2 LEU 79 13.161 -3.958 9.997 589 HD22 LEU 79 2HD2 LEU 79 11.953 -3.778 11.292 590 HD23 LEU 79 3HD2 LEU 79 11.476 -4.459 9.719 591 H LEU 80 H LEU 80 8.783 -5.223 8.855 592 HA LEU 80 HA LEU 80 6.099 -4.198 8.256 593 HB2 LEU 80 1HB LEU 80 6.930 -5.748 6.499 594 HB3 LEU 80 2HB LEU 80 7.090 -7.000 7.715 595 HG LEU 80 HG LEU 80 4.668 -6.938 8.127 596 HD11 LEU 80 1HD1 LEU 80 3.513 -5.613 6.023 597 HD12 LEU 80 2HD1 LEU 80 3.635 -5.003 7.691 598 HD13 LEU 80 3HD1 LEU 80 4.842 -4.518 6.475 599 HD21 LEU 80 1HD2 LEU 80 5.509 -7.337 5.247 600 HD22 LEU 80 2HD2 LEU 80 5.450 -8.553 6.545 601 HD23 LEU 80 3HD2 LEU 80 3.941 -7.850 5.914 602 H ASN 81 H ASN 81 5.212 -3.843 10.228 603 HA ASN 81 HA ASN 81 4.452 -4.227 12.222 604 HB2 ASN 81 1HB ASN 81 5.116 -7.132 11.534 605 HB3 ASN 81 2HB ASN 81 4.358 -6.690 13.051 606 HD21 ASN 81 1HD2 ASN 81 3.835 -7.655 9.944 607 HD22 ASN 81 2HD2 ASN 81 2.187 -7.174 9.716 608 H SER 82 H SER 82 6.919 -6.903 12.147 609 HA SER 82 HA SER 82 8.740 -5.314 13.677 610 HB2 SER 82 1HB SER 82 7.017 -7.390 14.912 611 HB3 SER 82 2HB SER 82 8.723 -7.592 15.259 612 HG SER 82 HG SER 82 7.554 -6.204 16.803 613 H ASN 83 H ASN 83 9.445 -5.950 11.270 614 HA ASN 83 HA ASN 83 11.512 -7.782 11.564 615 HB2 ASN 83 1HB ASN 83 9.309 -9.248 11.180 616 HB3 ASN 83 2HB ASN 83 9.500 -8.758 9.508 617 HD21 ASN 83 1HD2 ASN 83 10.947 -9.725 8.249 618 HD22 ASN 83 2HD2 ASN 83 12.095 -10.922 8.747 619 H ALA 84 H ALA 84 13.033 -7.372 9.866 620 HA ALA 84 HA ALA 84 12.318 -5.222 8.085 621 HB1 ALA 84 1HB ALA 84 14.898 -5.961 7.473 622 HB2 ALA 84 2HB ALA 84 14.447 -4.792 8.738 623 HB3 ALA 84 3HB ALA 84 14.760 -6.491 9.167 624 H LEU 85 H LEU 85 11.510 -5.519 6.073 625 HA LEU 85 HA LEU 85 11.191 -8.099 5.010 626 HB2 LEU 85 1HB LEU 85 10.941 -5.398 3.678 627 HB3 LEU 85 2HB LEU 85 10.344 -6.916 3.037 628 HG LEU 85 HG LEU 85 9.412 -5.728 5.661 629 HD11 LEU 85 1HD1 LEU 85 7.625 -5.670 3.294 630 HD12 LEU 85 2HD1 LEU 85 7.797 -4.520 4.642 631 HD13 LEU 85 3HD1 LEU 85 8.972 -4.507 3.305 632 HD21 LEU 85 1HD2 LEU 85 7.793 -7.379 5.745 633 HD22 LEU 85 2HD2 LEU 85 7.911 -7.736 4.005 634 HD23 LEU 85 3HD2 LEU 85 9.203 -8.260 5.111 635 H ASP 86 H ASP 86 11.947 -8.579 2.632 636 HA ASP 86 HA ASP 86 14.729 -7.751 2.415 637 HB2 ASP 86 1HB ASP 86 13.874 -10.315 3.123 638 HB3 ASP 86 2HB ASP 86 14.103 -10.463 1.392 639 HA PRO 87 HA PRO 87 13.587 -7.187 -1.782 640 HB2 PRO 87 1HB PRO 87 15.987 -7.390 -3.073 641 HB3 PRO 87 2HB PRO 87 15.473 -5.943 -2.228 642 HG2 PRO 87 1HG PRO 87 17.463 -7.966 -1.399 643 HG3 PRO 87 2HG PRO 87 17.244 -6.333 -0.802 644 HD2 PRO 87 1HD PRO 87 16.440 -8.759 0.500 645 HD3 PRO 87 2HD PRO 87 16.118 -7.123 1.040 646 H GLU 88 H GLU 88 15.574 -10.004 -1.174 647 HA GLU 88 HA GLU 88 14.451 -11.220 -3.535 648 HB2 GLU 88 1HB GLU 88 16.515 -12.237 -1.532 649 HB3 GLU 88 2HB GLU 88 16.026 -13.098 -2.978 650 HG2 GLU 88 1HG GLU 88 16.685 -10.920 -4.269 651 HG3 GLU 88 2HG GLU 88 17.500 -10.444 -2.793 652 H THR 89 H THR 89 12.604 -10.554 -1.401 653 HA THR 89 HA THR 89 11.468 -13.169 -1.009 654 HB THR 89 HB THR 89 12.330 -11.456 1.382 655 HG1 THR 89 HG1 THR 89 13.707 -13.406 1.649 656 HG21 THR 89 1HG2 THR 89 10.158 -12.947 1.531 657 HG22 THR 89 2HG2 THR 89 11.291 -14.316 1.424 658 HG23 THR 89 3HG2 THR 89 11.414 -13.163 2.774 659 H SER 90 H SER 90 9.238 -13.119 -0.637 660 HA SER 90 HA SER 90 8.142 -10.417 -0.682 661 HB2 SER 90 1HB SER 90 6.346 -11.230 -2.172 662 HB3 SER 90 2HB SER 90 7.920 -11.454 -2.910 663 HG SER 90 HG SER 90 7.575 -13.562 -2.983 664 H VAL 91 H VAL 91 6.676 -10.009 0.949 665 HA VAL 91 HA VAL 91 5.725 -12.351 2.442 666 HB VAL 91 HB VAL 91 5.864 -9.505 3.423 667 HG11 VAL 91 1HG1 VAL 91 6.272 -11.712 5.312 668 HG12 VAL 91 2HG1 VAL 91 5.173 -10.314 5.399 669 HG13 VAL 91 3HG1 VAL 91 4.693 -11.770 4.493 670 HG21 VAL 91 1HG2 VAL 91 8.119 -10.180 2.671 671 HG22 VAL 91 2HG2 VAL 91 8.026 -10.003 4.440 672 HG23 VAL 91 3HG2 VAL 91 8.021 -11.625 3.706 673 H ASN 92 H ASN 92 3.508 -12.513 2.991 674 HA ASN 92 HA ASN 92 1.838 -11.132 1.129 675 HB2 ASN 92 1HB ASN 92 0.064 -12.649 1.974 676 HB3 ASN 92 2HB ASN 92 1.514 -13.566 1.614 677 HD21 ASN 92 1HD2 ASN 92 -0.758 -14.020 3.466 678 HD22 ASN 92 2HD2 ASN 92 -0.070 -14.307 5.030 679 H LEU 93 H LEU 93 0.900 -9.160 1.682 680 HA LEU 93 HA LEU 93 1.112 -8.044 4.215 681 HB2 LEU 93 1HB LEU 93 -0.632 -7.415 1.839 682 HB3 LEU 93 2HB LEU 93 -0.639 -6.444 3.298 683 HG LEU 93 HG LEU 93 1.817 -6.963 1.600 684 HD11 LEU 93 1HD1 LEU 93 -0.376 -5.338 0.980 685 HD12 LEU 93 2HD1 LEU 93 0.870 -4.228 1.598 686 HD13 LEU 93 3HD1 LEU 93 1.240 -5.310 0.234 687 HD21 LEU 93 1HD2 LEU 93 1.341 -5.548 4.166 688 HD22 LEU 93 2HD2 LEU 93 2.790 -6.382 3.558 689 HD23 LEU 93 3HD2 LEU 93 2.404 -4.741 2.988 690 H GLY 94 H GLY 94 -0.766 -7.343 5.636 691 HA2 GLY 94 1HA GLY 94 -3.020 -9.207 5.614 692 HA3 GLY 94 2HA GLY 94 -1.944 -9.261 6.996 693 H ASP 95 H ASP 95 -4.784 -8.479 6.976 694 HA ASP 95 HA ASP 95 -4.971 -5.693 7.048 695 HB2 ASP 95 1HB ASP 95 -7.040 -6.758 6.788 696 HB3 ASP 95 2HB ASP 95 -6.651 -8.029 7.929 697 H GLY 96 H GLY 96 -3.740 -4.528 8.555 698 HA2 GLY 96 1HA GLY 96 -3.793 -3.791 10.858 699 HA3 GLY 96 2HA GLY 96 -3.818 -5.471 11.357 700 H ASP 97 H ASP 97 -1.841 -4.788 8.556 701 HA ASP 97 HA ASP 97 0.479 -5.345 10.160 702 HB2 ASP 97 1HB ASP 97 -0.098 -5.202 7.181 703 HB3 ASP 97 2HB ASP 97 1.557 -5.251 7.755 704 H VAL 98 H VAL 98 2.279 -3.863 10.332 705 HA VAL 98 HA VAL 98 1.680 -1.152 9.368 706 HB VAL 98 HB VAL 98 2.894 -2.242 11.874 707 HG11 VAL 98 1HG1 VAL 98 3.447 0.546 10.804 708 HG12 VAL 98 2HG1 VAL 98 3.909 -0.083 12.403 709 HG13 VAL 98 3HG1 VAL 98 4.637 -0.771 10.931 710 HG21 VAL 98 1HG2 VAL 98 0.771 -0.247 11.122 711 HG22 VAL 98 2HG2 VAL 98 0.681 -1.639 12.227 712 HG23 VAL 98 3HG2 VAL 98 1.547 -0.165 12.721 713 H ILE 99 H ILE 99 2.930 -0.465 7.715 714 HA ILE 99 HA ILE 99 5.456 -1.876 7.292 715 HB ILE 99 HB ILE 99 3.878 -0.122 5.408 716 HG12 ILE 99 1HG1 ILE 99 4.044 -3.130 5.279 717 HG13 ILE 99 2HG1 ILE 99 2.807 -2.334 6.232 718 HG21 ILE 99 1HG2 ILE 99 5.382 -0.643 3.746 719 HG22 ILE 99 2HG2 ILE 99 6.457 -0.505 5.158 720 HG23 ILE 99 3HG2 ILE 99 5.960 -2.110 4.571 721 HD11 ILE 99 1HD1 ILE 99 2.771 -2.820 3.435 722 HD12 ILE 99 2HD1 ILE 99 1.595 -1.873 4.377 723 HD13 ILE 99 3HD1 ILE 99 2.986 -1.062 3.619 724 H LYS 100 H LYS 100 7.100 -0.918 8.388 725 HA LYS 100 HA LYS 100 7.087 1.994 8.556 726 HB2 LYS 100 1HB LYS 100 8.261 -0.228 10.153 727 HB3 LYS 100 2HB LYS 100 9.196 1.250 10.061 728 HG2 LYS 100 1HG LYS 100 7.600 2.508 11.197 729 HG3 LYS 100 2HG LYS 100 6.256 1.564 10.585 730 HD2 LYS 100 1HD LYS 100 6.210 0.540 12.615 731 HD3 LYS 100 2HD LYS 100 7.661 -0.306 12.117 732 HE2 LYS 100 1HE LYS 100 9.100 1.311 13.191 733 HE3 LYS 100 2HE LYS 100 7.790 2.457 13.395 734 HZ1 LYS 100 1HZ LYS 100 6.914 0.222 14.638 735 HZ2 LYS 100 2HZ LYS 100 8.500 0.259 15.026 736 HZ3 LYS 100 3HZ LYS 100 7.545 1.538 15.372 737 H LEU 101 H LEU 101 7.919 2.953 6.765 738 HA LEU 101 HA LEU 101 10.480 1.875 5.818 739 HB2 LEU 101 1HB LEU 101 9.886 2.281 3.572 740 HB3 LEU 101 2HB LEU 101 8.607 1.326 4.294 741 HG LEU 101 HG LEU 101 8.221 4.278 4.299 742 HD11 LEU 101 1HD1 LEU 101 9.234 3.659 2.042 743 HD12 LEU 101 2HD1 LEU 101 7.739 2.737 1.749 744 HD13 LEU 101 3HD1 LEU 101 7.662 4.494 2.027 745 HD21 LEU 101 1HD2 LEU 101 6.161 3.648 4.815 746 HD22 LEU 101 2HD2 LEU 101 6.020 2.773 3.271 747 HD23 LEU 101 3HD2 LEU 101 6.658 1.942 4.710 748 H GLY 102 H GLY 102 11.838 3.575 4.702 749 HA2 GLY 102 1HA GLY 102 12.738 5.643 4.575 750 HA3 GLY 102 2HA GLY 102 11.225 6.330 5.131 751 H GLU 103 H GLU 103 11.757 7.666 6.826 752 HA GLU 103 HA GLU 103 13.718 6.699 8.712 753 HB2 GLU 103 1HB GLU 103 12.322 9.408 8.582 754 HB3 GLU 103 2HB GLU 103 13.697 9.003 9.590 755 HG2 GLU 103 1HG GLU 103 14.780 8.287 7.236 756 HG3 GLU 103 2HG GLU 103 13.585 9.400 6.600 757 H TYR 104 H TYR 104 10.479 8.361 8.903 758 HA TYR 104 HA TYR 104 9.775 6.487 11.041 759 HB2 TYR 104 1HB TYR 104 9.568 9.561 10.943 760 HB3 TYR 104 2HB TYR 104 8.792 8.595 12.183 761 HD1 TYR 104 HD2 TYR 104 10.296 7.144 13.694 762 HD2 TYR 104 HD1 TYR 104 11.803 10.272 11.194 763 HE1 TYR 104 HE2 TYR 104 12.415 7.253 15.095 764 HE2 TYR 104 HE1 TYR 104 13.916 10.370 12.603 765 HH TYR 104 HH TYR 104 14.282 8.280 15.453 766 H THR 105 H THR 105 8.923 6.090 8.460 767 HA THR 105 HA THR 105 6.193 7.200 8.480 768 HB THR 105 HB THR 105 8.146 6.474 6.256 769 HG1 THR 105 HG1 THR 105 8.041 8.668 7.110 770 HG21 THR 105 1HG2 THR 105 5.805 7.449 5.062 771 HG22 THR 105 2HG2 THR 105 6.359 5.758 5.001 772 HG23 THR 105 3HG2 THR 105 5.191 6.268 6.244 773 H SER 106 H SER 106 4.683 5.824 9.152 774 HA SER 106 HA SER 106 5.210 3.006 8.611 775 HB2 SER 106 1HB SER 106 3.554 4.224 10.867 776 HB3 SER 106 2HB SER 106 3.806 2.509 10.607 777 HG SER 106 HG SER 106 6.031 4.315 10.939 778 H ILE 107 H ILE 107 3.609 1.827 7.522 779 HA ILE 107 HA ILE 107 1.151 3.317 6.912 780 HB ILE 107 HB ILE 107 2.610 1.420 5.074 781 HG12 ILE 107 1HG1 ILE 107 2.580 4.452 5.026 782 HG13 ILE 107 2HG1 ILE 107 3.942 3.460 5.506 783 HG21 ILE 107 1HG2 ILE 107 0.980 2.986 3.536 784 HG22 ILE 107 2HG2 ILE 107 0.586 1.351 4.117 785 HG23 ILE 107 3HG2 ILE 107 0.001 2.776 5.008 786 HD11 ILE 107 1HD1 ILE 107 4.387 3.930 3.230 787 HD12 ILE 107 2HD1 ILE 107 3.664 2.304 3.171 788 HD13 ILE 107 3HD1 ILE 107 2.682 3.730 2.760 789 H LEU 108 H LEU 108 -0.753 2.287 7.343 790 HA LEU 108 HA LEU 108 -0.497 -0.397 8.456 791 HB2 LEU 108 1HB LEU 108 -1.691 1.806 9.449 792 HB3 LEU 108 2HB LEU 108 -3.049 1.098 8.598 793 HG LEU 108 HG LEU 108 -1.403 -0.551 10.509 794 HD11 LEU 108 1HD1 LEU 108 -1.988 0.782 12.194 795 HD12 LEU 108 2HD1 LEU 108 -3.112 1.717 11.177 796 HD13 LEU 108 3HD1 LEU 108 -3.651 0.201 11.939 797 HD21 LEU 108 1HD2 LEU 108 -2.944 -2.138 10.207 798 HD22 LEU 108 2HD2 LEU 108 -4.292 -0.984 10.343 799 HD23 LEU 108 3HD2 LEU 108 -3.456 -1.196 8.786 800 H VAL 109 H VAL 109 -1.723 -2.164 7.696 801 HA VAL 109 HA VAL 109 -2.838 -1.712 5.017 802 HB VAL 109 HB VAL 109 -1.518 -4.110 6.293 803 HG11 VAL 109 1HG1 VAL 109 -1.880 -4.830 3.688 804 HG12 VAL 109 2HG1 VAL 109 -2.945 -5.322 5.027 805 HG13 VAL 109 3HG1 VAL 109 -3.385 -3.934 4.004 806 HG21 VAL 109 1HG2 VAL 109 -0.018 -3.834 4.238 807 HG22 VAL 109 2HG2 VAL 109 -0.769 -2.232 4.042 808 HG23 VAL 109 3HG2 VAL 109 0.141 -2.612 5.524 809 H ASN 110 H ASN 110 -5.021 -1.634 5.006 810 HA ASN 110 HA ASN 110 -6.360 -3.397 6.905 811 HB2 ASN 110 1HB ASN 110 -6.754 -0.514 6.255 812 HB3 ASN 110 2HB ASN 110 -8.242 -1.439 6.259 813 HD21 ASN 110 1HD2 ASN 110 -5.261 -1.843 8.148 814 HD22 ASN 110 2HD2 ASN 110 -5.964 -1.653 9.720 815 H PHE 111 H PHE 111 -7.939 -4.770 5.971 816 HA PHE 111 HA PHE 111 -8.152 -4.639 3.081 817 HB2 PHE 111 1HB PHE 111 -8.938 -6.600 5.311 818 HB3 PHE 111 2HB PHE 111 -9.391 -6.890 3.643 819 HD1 PHE 111 HD1 PHE 111 -6.868 -5.918 2.307 820 HD2 PHE 111 HD2 PHE 111 -7.471 -8.388 5.705 821 HE1 PHE 111 HE1 PHE 111 -4.652 -7.023 1.897 822 HE2 PHE 111 HE2 PHE 111 -5.255 -9.493 5.295 823 HZ PHE 111 HZ PHE 111 -3.871 -8.797 3.396 824 H VAL 112 H VAL 112 -9.721 -3.280 2.317 825 HA VAL 112 HA VAL 112 -12.179 -3.031 3.855 826 HB VAL 112 HB VAL 112 -11.257 -1.569 1.374 827 HG11 VAL 112 1HG1 VAL 112 -13.016 -0.080 1.693 828 HG12 VAL 112 2HG1 VAL 112 -13.761 -1.644 2.103 829 HG13 VAL 112 3HG1 VAL 112 -13.237 -0.541 3.398 830 HG21 VAL 112 1HG2 VAL 112 -10.422 0.178 2.768 831 HG22 VAL 112 2HG2 VAL 112 -11.082 -0.583 4.236 832 HG23 VAL 112 3HG2 VAL 112 -9.721 -1.342 3.374 833 H SER 113 H SER 113 -13.642 -4.632 3.504 834 HA SER 113 HA SER 113 -13.752 -5.765 0.849 835 HB2 SER 113 1HB SER 113 -13.736 -7.096 3.105 836 HB3 SER 113 2HB SER 113 -15.423 -6.638 3.228 837 HG SER 113 HG SER 113 -14.249 -8.029 0.971 838 H GLY 114 H GLY 114 -16.154 -4.683 3.373 839 HA2 GLY 114 1HA GLY 114 -17.479 -2.782 1.912 840 HA3 GLY 114 2HA GLY 114 -18.217 -4.296 1.427 841 HA PRO 115 HA PRO 115 -20.045 -2.912 5.415 842 HB2 PRO 115 1HB PRO 115 -22.542 -2.206 4.560 843 HB3 PRO 115 2HB PRO 115 -21.250 -1.048 4.803 844 HG2 PRO 115 1HG PRO 115 -22.330 -2.113 2.266 845 HG3 PRO 115 2HG PRO 115 -21.361 -0.677 2.530 846 HD2 PRO 115 1HD PRO 115 -20.458 -3.185 1.470 847 HD3 PRO 115 2HD PRO 115 -19.469 -1.787 1.842 848 H SER 116 H SER 116 -20.481 -4.577 6.701 849 HA SER 116 HA SER 116 -21.408 -6.932 5.540 850 HB2 SER 116 1HB SER 116 -20.681 -5.957 8.237 851 HB3 SER 116 2HB SER 116 -21.923 -7.192 8.267 852 HG SER 116 HG SER 116 -19.467 -7.780 8.220 853 H SER 117 H SER 117 -23.458 -8.126 6.291 854 HA SER 117 HA SER 117 -25.613 -6.175 6.551 855 HB2 SER 117 1HB SER 117 -25.172 -7.946 4.441 856 HB3 SER 117 2HB SER 117 -26.346 -8.806 5.417 857 HG SER 117 HG SER 117 -26.858 -6.048 4.980 858 H GLY 118 H GLY 118 -27.625 -7.085 7.656 859 HA2 GLY 118 1HA GLY 118 -26.787 -8.853 9.857 860 HA3 GLY 118 2HA GLY 118 -28.097 -7.689 9.891 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -33.386 -3.558 8.952 2 HA2 GLY 1 1HA GLY 1 -32.554 -1.643 6.881 3 HA3 GLY 1 2HA GLY 1 -31.348 -2.323 7.955 4 H SER 2 H SER 2 -30.530 -3.100 5.725 5 HA SER 2 HA SER 2 -31.641 -5.751 5.334 6 HB2 SER 2 1HB SER 2 -32.520 -4.188 3.550 7 HB3 SER 2 2HB SER 2 -30.869 -3.888 3.045 8 HG SER 2 HG SER 2 -32.368 -6.346 2.901 9 H SER 3 H SER 3 -30.028 -7.196 4.103 10 HA SER 3 HA SER 3 -27.452 -6.699 5.220 11 HB2 SER 3 1HB SER 3 -28.710 -8.967 5.054 12 HB3 SER 3 2HB SER 3 -28.212 -8.992 3.374 13 HG SER 3 HG SER 3 -26.784 -9.765 5.508 14 H GLY 4 H GLY 4 -25.422 -7.016 3.817 15 HA2 GLY 4 1HA GLY 4 -25.579 -5.246 1.559 16 HA3 GLY 4 2HA GLY 4 -24.154 -6.022 2.219 17 H SER 5 H SER 5 -23.181 -7.118 0.556 18 HA SER 5 HA SER 5 -24.433 -9.384 -0.466 19 HB2 SER 5 1HB SER 5 -25.556 -7.478 -1.813 20 HB3 SER 5 2HB SER 5 -23.998 -7.240 -2.579 21 HG SER 5 HG SER 5 -24.278 -9.796 -2.855 22 H SER 6 H SER 6 -22.803 -10.805 -1.089 23 HA SER 6 HA SER 6 -20.152 -9.653 -1.146 24 HB2 SER 6 1HB SER 6 -21.044 -12.567 -0.997 25 HB3 SER 6 2HB SER 6 -19.387 -12.012 -0.869 26 HG SER 6 HG SER 6 -21.096 -10.690 0.901 27 H GLY 7 H GLY 7 -19.655 -8.929 -3.212 28 HA2 GLY 7 1HA GLY 7 -20.338 -10.702 -5.471 29 HA3 GLY 7 2HA GLY 7 -20.072 -8.973 -5.560 30 H MET 8 H MET 8 -17.979 -8.141 -5.805 31 HA MET 8 HA MET 8 -16.091 -9.762 -6.913 32 HB2 MET 8 1HB MET 8 -14.603 -7.802 -6.689 33 HB3 MET 8 2HB MET 8 -16.224 -7.232 -7.034 34 HG2 MET 8 1HG MET 8 -16.409 -7.216 -4.343 35 HG3 MET 8 2HG MET 8 -14.666 -7.078 -4.455 36 HE1 MET 8 1HE MET 8 -17.971 -4.999 -4.525 37 HE2 MET 8 2HE MET 8 -17.793 -4.144 -6.076 38 HE3 MET 8 3HE MET 8 -17.918 -5.920 -6.047 39 H VAL 9 H VAL 9 -13.784 -10.163 -6.103 40 HA VAL 9 HA VAL 9 -13.915 -10.952 -3.275 41 HB VAL 9 HB VAL 9 -12.361 -12.736 -3.865 42 HG11 VAL 9 1HG1 VAL 9 -14.908 -12.615 -5.508 43 HG12 VAL 9 2HG1 VAL 9 -13.927 -14.087 -5.308 44 HG13 VAL 9 3HG1 VAL 9 -14.683 -13.322 -3.890 45 HG21 VAL 9 1HG2 VAL 9 -12.634 -12.754 -6.727 46 HG22 VAL 9 2HG2 VAL 9 -11.944 -11.196 -6.213 47 HG23 VAL 9 3HG2 VAL 9 -11.154 -12.719 -5.739 48 H THR 10 H THR 10 -11.410 -11.302 -2.515 49 HA THR 10 HA THR 10 -9.564 -10.249 -1.861 50 HB THR 10 HB THR 10 -9.586 -8.946 -4.629 51 HG1 THR 10 HG1 THR 10 -9.965 -11.245 -4.791 52 HG21 THR 10 1HG2 THR 10 -7.245 -10.147 -3.094 53 HG22 THR 10 2HG2 THR 10 -7.202 -9.001 -4.454 54 HG23 THR 10 3HG2 THR 10 -7.721 -8.451 -2.843 55 HA PRO 11 HA PRO 11 -11.266 -6.544 -0.360 56 HB2 PRO 11 1HB PRO 11 -9.668 -6.321 1.845 57 HB3 PRO 11 2HB PRO 11 -11.146 -7.262 1.824 58 HG2 PRO 11 1HG PRO 11 -8.346 -8.208 1.757 59 HG3 PRO 11 2HG PRO 11 -9.798 -9.103 2.161 60 HD2 PRO 11 1HD PRO 11 -8.333 -9.228 -0.302 61 HD3 PRO 11 2HD PRO 11 -9.846 -10.034 0.059 62 H SER 12 H SER 12 -10.947 -4.388 -0.665 63 HA SER 12 HA SER 12 -8.836 -3.723 -2.285 64 HB2 SER 12 1HB SER 12 -11.113 -2.437 -1.145 65 HB3 SER 12 2HB SER 12 -9.741 -1.416 -0.763 66 HG SER 12 HG SER 12 -10.304 -2.423 -3.420 67 H LEU 13 H LEU 13 -6.965 -2.261 -1.855 68 HA LEU 13 HA LEU 13 -5.784 -2.916 0.717 69 HB2 LEU 13 1HB LEU 13 -4.626 -3.334 -1.462 70 HB3 LEU 13 2HB LEU 13 -4.541 -1.599 -1.698 71 HG LEU 13 HG LEU 13 -3.127 -1.341 0.258 72 HD11 LEU 13 1HD1 LEU 13 -3.368 -2.775 1.942 73 HD12 LEU 13 2HD1 LEU 13 -4.107 -4.007 0.892 74 HD13 LEU 13 3HD1 LEU 13 -2.336 -3.893 1.019 75 HD21 LEU 13 1HD2 LEU 13 -1.582 -1.627 -1.333 76 HD22 LEU 13 2HD2 LEU 13 -1.334 -3.231 -0.602 77 HD23 LEU 13 3HD2 LEU 13 -2.403 -3.052 -2.014 78 H ARG 14 H ARG 14 -6.197 -1.564 2.380 79 HA ARG 14 HA ARG 14 -6.499 1.242 1.691 80 HB2 ARG 14 1HB ARG 14 -8.439 0.195 2.859 81 HB3 ARG 14 2HB ARG 14 -7.397 -0.296 4.180 82 HG2 ARG 14 1HG ARG 14 -6.810 2.352 4.179 83 HG3 ARG 14 2HG ARG 14 -8.413 2.446 3.477 84 HD2 ARG 14 1HD ARG 14 -8.592 0.605 5.671 85 HD3 ARG 14 2HD ARG 14 -7.674 1.981 6.249 86 HE ARG 14 HE ARG 14 -10.021 2.811 4.739 87 HH11 ARG 14 1HH1 ARG 14 -8.931 1.702 7.895 88 HH12 ARG 14 2HH1 ARG 14 -10.245 2.438 8.750 89 HH21 ARG 14 1HH2 ARG 14 -11.755 3.783 5.867 90 HH22 ARG 14 2HH2 ARG 14 -11.862 3.630 7.589 91 H LEU 15 H LEU 15 -4.417 2.120 1.822 92 HA LEU 15 HA LEU 15 -2.705 1.288 4.008 93 HB2 LEU 15 1HB LEU 15 -2.274 3.076 1.615 94 HB3 LEU 15 2HB LEU 15 -1.062 2.783 2.846 95 HG LEU 15 HG LEU 15 -2.324 0.574 1.206 96 HD11 LEU 15 1HD1 LEU 15 0.449 1.347 0.583 97 HD12 LEU 15 2HD1 LEU 15 -0.889 0.875 -0.492 98 HD13 LEU 15 3HD1 LEU 15 -0.784 2.544 0.119 99 HD21 LEU 15 1HD2 LEU 15 -1.062 0.264 3.524 100 HD22 LEU 15 2HD2 LEU 15 -0.867 -0.883 2.177 101 HD23 LEU 15 3HD2 LEU 15 0.369 0.363 2.470 102 H VAL 16 H VAL 16 -2.889 2.244 5.956 103 HA VAL 16 HA VAL 16 -3.903 4.994 5.995 104 HB VAL 16 HB VAL 16 -3.791 2.874 8.150 105 HG11 VAL 16 1HG1 VAL 16 -5.324 4.472 9.368 106 HG12 VAL 16 2HG1 VAL 16 -3.635 5.009 9.210 107 HG13 VAL 16 3HG1 VAL 16 -4.890 5.699 8.154 108 HG21 VAL 16 1HG2 VAL 16 -5.916 2.267 7.647 109 HG22 VAL 16 2HG2 VAL 16 -6.389 3.914 7.163 110 HG23 VAL 16 3HG2 VAL 16 -5.482 2.880 6.033 111 H PHE 17 H PHE 17 -2.533 6.633 6.480 112 HA PHE 17 HA PHE 17 0.184 5.949 7.125 113 HB2 PHE 17 1HB PHE 17 -1.490 8.390 6.410 114 HB3 PHE 17 2HB PHE 17 0.080 8.667 7.138 115 HD1 PHE 17 HD2 PHE 17 2.054 7.278 5.996 116 HD2 PHE 17 HD1 PHE 17 -1.606 8.305 4.110 117 HE1 PHE 17 HE2 PHE 17 3.141 7.025 3.748 118 HE2 PHE 17 HE1 PHE 17 -0.519 8.052 1.862 119 HZ PHE 17 HZ PHE 17 1.842 7.416 1.707 120 H VAL 18 H VAL 18 0.132 5.123 9.275 121 HA VAL 18 HA VAL 18 -1.144 6.631 11.340 122 HB VAL 18 HB VAL 18 0.070 4.945 12.787 123 HG11 VAL 18 1HG1 VAL 18 -2.293 4.774 11.708 124 HG12 VAL 18 2HG1 VAL 18 -1.541 3.554 10.653 125 HG13 VAL 18 3HG1 VAL 18 -1.556 3.317 12.417 126 HG21 VAL 18 1HG2 VAL 18 0.577 3.091 10.609 127 HG22 VAL 18 2HG2 VAL 18 1.586 4.550 10.461 128 HG23 VAL 18 3HG2 VAL 18 1.634 3.583 11.955 129 H LYS 19 H LYS 19 2.077 6.420 9.853 130 HA LYS 19 HA LYS 19 2.888 8.626 11.593 131 HB2 LYS 19 1HB LYS 19 4.587 6.191 10.970 132 HB3 LYS 19 2HB LYS 19 5.144 7.633 11.794 133 HG2 LYS 19 1HG LYS 19 2.820 6.946 13.213 134 HG3 LYS 19 2HG LYS 19 3.529 5.389 12.832 135 HD2 LYS 19 1HD LYS 19 5.632 5.984 13.893 136 HD3 LYS 19 2HD LYS 19 5.165 7.667 14.028 137 HE2 LYS 19 1HE LYS 19 3.093 6.549 15.396 138 HE3 LYS 19 2HE LYS 19 4.303 5.315 15.687 139 HZ1 LYS 19 1HZ LYS 19 4.984 6.673 17.276 140 HZ2 LYS 19 2HZ LYS 19 5.644 7.604 16.108 141 HZ3 LYS 19 3HZ LYS 19 4.166 7.964 16.702 142 H GLY 20 H GLY 20 5.306 9.272 10.527 143 HA2 GLY 20 1HA GLY 20 6.427 9.873 8.614 144 HA3 GLY 20 2HA GLY 20 5.133 9.228 7.625 145 HA PRO 21 HA PRO 21 4.691 13.771 7.733 146 HB2 PRO 21 1HB PRO 21 5.013 14.273 5.066 147 HB3 PRO 21 2HB PRO 21 6.318 14.398 6.229 148 HG2 PRO 21 1HG PRO 21 5.817 12.282 4.227 149 HG3 PRO 21 2HG PRO 21 7.298 12.651 5.087 150 HD2 PRO 21 1HD PRO 21 5.491 10.491 5.631 151 HD3 PRO 21 2HD PRO 21 6.910 10.930 6.561 152 H ARG 22 H ARG 22 3.253 11.160 6.137 153 HA ARG 22 HA ARG 22 1.012 12.827 5.401 154 HB2 ARG 22 1HB ARG 22 1.483 9.846 4.890 155 HB3 ARG 22 2HB ARG 22 0.192 10.807 4.196 156 HG2 ARG 22 1HG ARG 22 2.580 12.236 3.610 157 HG3 ARG 22 2HG ARG 22 2.972 10.553 3.323 158 HD2 ARG 22 1HD ARG 22 2.005 11.762 1.304 159 HD3 ARG 22 2HD ARG 22 1.152 10.295 1.742 160 HE ARG 22 HE ARG 22 -0.731 11.579 2.267 161 HH11 ARG 22 1HH1 ARG 22 2.098 13.671 2.209 162 HH12 ARG 22 2HH1 ARG 22 1.183 15.129 2.401 163 HH21 ARG 22 1HH2 ARG 22 -1.939 13.502 2.519 164 HH22 ARG 22 2HH2 ARG 22 -1.129 15.032 2.578 165 H GLU 23 H GLU 23 2.083 11.417 8.160 166 HA GLU 23 HA GLU 23 0.355 9.652 9.108 167 HB2 GLU 23 1HB GLU 23 2.191 10.520 10.449 168 HB3 GLU 23 2HB GLU 23 1.466 12.114 10.517 169 HG2 GLU 23 1HG GLU 23 -0.361 9.994 11.475 170 HG3 GLU 23 2HG GLU 23 1.123 10.073 12.404 171 H GLY 24 H GLY 24 -1.840 9.482 9.167 172 HA2 GLY 24 1HA GLY 24 -3.887 10.319 10.064 173 HA3 GLY 24 2HA GLY 24 -3.392 11.947 9.646 174 H ASP 25 H ASP 25 -2.326 9.979 7.128 175 HA ASP 25 HA ASP 25 -4.687 10.695 5.601 176 HB2 ASP 25 1HB ASP 25 -1.782 10.170 4.935 177 HB3 ASP 25 2HB ASP 25 -2.983 9.953 3.677 178 H ALA 26 H ALA 26 -5.406 9.036 3.905 179 HA ALA 26 HA ALA 26 -4.506 6.327 4.317 180 HB1 ALA 26 1HB ALA 26 -7.451 6.878 4.715 181 HB2 ALA 26 2HB ALA 26 -6.503 5.442 5.172 182 HB3 ALA 26 3HB ALA 26 -6.323 6.956 6.090 183 H LEU 27 H LEU 27 -4.808 5.091 2.462 184 HA LEU 27 HA LEU 27 -6.379 6.382 0.344 185 HB2 LEU 27 1HB LEU 27 -3.731 4.967 0.014 186 HB3 LEU 27 2HB LEU 27 -4.708 5.651 -1.269 187 HG LEU 27 HG LEU 27 -3.908 7.513 0.908 188 HD11 LEU 27 1HD1 LEU 27 -1.911 6.429 -1.098 189 HD12 LEU 27 2HD1 LEU 27 -1.669 7.866 -0.076 190 HD13 LEU 27 3HD1 LEU 27 -1.850 6.262 0.674 191 HD21 LEU 27 1HD2 LEU 27 -4.843 7.628 -1.817 192 HD22 LEU 27 2HD2 LEU 27 -4.711 8.924 -0.604 193 HD23 LEU 27 3HD2 LEU 27 -3.322 8.535 -1.647 194 H ASP 28 H ASP 28 -6.900 4.705 -1.461 195 HA ASP 28 HA ASP 28 -7.131 2.048 -0.370 196 HB2 ASP 28 1HB ASP 28 -9.313 3.920 -0.401 197 HB3 ASP 28 2HB ASP 28 -9.643 2.736 -1.650 198 H TYR 29 H TYR 29 -7.078 0.485 -2.075 199 HA TYR 29 HA TYR 29 -7.419 1.492 -4.802 200 HB2 TYR 29 1HB TYR 29 -5.104 -0.140 -3.582 201 HB3 TYR 29 2HB TYR 29 -5.283 0.131 -5.304 202 HD1 TYR 29 HD2 TYR 29 -5.057 2.466 -6.225 203 HD2 TYR 29 HD1 TYR 29 -4.136 1.519 -2.156 204 HE1 TYR 29 HE2 TYR 29 -3.729 4.624 -6.015 205 HE2 TYR 29 HE1 TYR 29 -2.811 3.680 -1.960 206 HH TYR 29 HH TYR 29 -1.668 5.319 -4.404 207 H LYS 30 H LYS 30 -7.948 -0.164 -6.363 208 HA LYS 30 HA LYS 30 -9.525 -2.228 -5.240 209 HB2 LYS 30 1HB LYS 30 -10.290 -2.576 -7.390 210 HB3 LYS 30 2HB LYS 30 -9.821 -0.889 -7.446 211 HG2 LYS 30 1HG LYS 30 -7.679 -1.456 -8.508 212 HG3 LYS 30 2HG LYS 30 -7.981 -3.170 -8.304 213 HD2 LYS 30 1HD LYS 30 -8.803 -3.054 -10.437 214 HD3 LYS 30 2HD LYS 30 -10.254 -2.447 -9.663 215 HE2 LYS 30 1HE LYS 30 -9.860 -0.247 -10.313 216 HE3 LYS 30 2HE LYS 30 -8.117 -0.421 -10.249 217 HZ1 LYS 30 1HZ LYS 30 -9.628 -1.884 -12.266 218 HZ2 LYS 30 2HZ LYS 30 -9.291 -0.303 -12.501 219 HZ3 LYS 30 3HZ LYS 30 -8.076 -1.378 -12.311 220 HA PRO 31 HA PRO 31 -6.710 -5.499 -5.186 221 HB2 PRO 31 1HB PRO 31 -8.215 -7.669 -5.889 222 HB3 PRO 31 2HB PRO 31 -8.252 -6.955 -4.289 223 HG2 PRO 31 1HG PRO 31 -10.257 -6.760 -6.453 224 HG3 PRO 31 2HG PRO 31 -10.452 -6.429 -4.743 225 HD2 PRO 31 1HD PRO 31 -10.182 -4.497 -6.846 226 HD3 PRO 31 2HD PRO 31 -10.260 -4.170 -5.126 227 H GLY 32 H GLY 32 -4.991 -6.203 -6.309 228 HA2 GLY 32 1HA GLY 32 -4.028 -7.226 -8.155 229 HA3 GLY 32 2HA GLY 32 -5.474 -6.931 -9.100 230 H SER 33 H SER 33 -4.685 -4.143 -7.269 231 HA SER 33 HA SER 33 -3.558 -2.964 -9.668 232 HB2 SER 33 1HB SER 33 -5.556 -2.121 -7.835 233 HB3 SER 33 2HB SER 33 -4.188 -1.067 -7.539 234 HG SER 33 HG SER 33 -5.462 -0.143 -9.190 235 H THR 34 H THR 34 -1.363 -2.669 -9.717 236 HA THR 34 HA THR 34 0.217 -3.065 -7.393 237 HB THR 34 HB THR 34 0.822 -2.026 -10.211 238 HG1 THR 34 HG1 THR 34 0.227 -4.200 -10.320 239 HG21 THR 34 1HG2 THR 34 2.752 -3.310 -8.224 240 HG22 THR 34 2HG2 THR 34 3.140 -2.528 -9.776 241 HG23 THR 34 3HG2 THR 34 2.616 -1.543 -8.389 242 H ILE 35 H ILE 35 0.592 -1.714 -5.764 243 HA ILE 35 HA ILE 35 0.214 1.139 -6.308 244 HB ILE 35 HB ILE 35 0.062 -0.488 -3.774 245 HG12 ILE 35 1HG1 ILE 35 -2.194 1.224 -4.454 246 HG13 ILE 35 2HG1 ILE 35 -1.848 0.082 -5.737 247 HG21 ILE 35 1HG2 ILE 35 -0.756 2.276 -3.492 248 HG22 ILE 35 2HG2 ILE 35 0.377 1.313 -2.514 249 HG23 ILE 35 3HG2 ILE 35 0.953 2.155 -3.972 250 HD11 ILE 35 1HD1 ILE 35 -1.739 -1.741 -3.917 251 HD12 ILE 35 2HD1 ILE 35 -2.432 -0.529 -2.813 252 HD13 ILE 35 3HD1 ILE 35 -3.347 -1.051 -4.247 253 H ARG 36 H ARG 36 2.198 1.761 -7.161 254 HA ARG 36 HA ARG 36 4.578 0.831 -5.935 255 HB2 ARG 36 1HB ARG 36 4.081 3.003 -8.032 256 HB3 ARG 36 2HB ARG 36 5.676 2.451 -7.559 257 HG2 ARG 36 1HG ARG 36 4.310 0.061 -8.117 258 HG3 ARG 36 2HG ARG 36 3.699 1.164 -9.334 259 HD2 ARG 36 1HD ARG 36 6.598 1.479 -9.034 260 HD3 ARG 36 2HD ARG 36 6.194 -0.196 -9.357 261 HE ARG 36 HE ARG 36 4.775 1.686 -11.098 262 HH11 ARG 36 1HH1 ARG 36 7.733 -0.170 -10.666 263 HH12 ARG 36 2HH1 ARG 36 8.123 -0.183 -12.353 264 HH21 ARG 36 1HH2 ARG 36 5.289 1.669 -13.325 265 HH22 ARG 36 2HH2 ARG 36 6.724 0.870 -13.876 266 H VAL 37 H VAL 37 5.070 1.606 -3.890 267 HA VAL 37 HA VAL 37 4.434 4.393 -3.306 268 HB VAL 37 HB VAL 37 5.365 2.146 -1.508 269 HG11 VAL 37 1HG1 VAL 37 4.557 5.002 -1.022 270 HG12 VAL 37 2HG1 VAL 37 4.247 3.767 0.221 271 HG13 VAL 37 3HG1 VAL 37 5.910 4.071 -0.335 272 HG21 VAL 37 1HG2 VAL 37 2.605 3.135 -2.247 273 HG22 VAL 37 2HG2 VAL 37 3.243 1.473 -2.274 274 HG23 VAL 37 3HG2 VAL 37 2.921 2.277 -0.719 275 H GLY 38 H GLY 38 5.973 5.956 -3.319 276 HA2 GLY 38 1HA GLY 38 8.765 5.188 -2.883 277 HA3 GLY 38 2HA GLY 38 8.354 5.936 -4.413 278 H ARG 39 H ARG 39 9.716 7.778 -3.868 279 HA ARG 39 HA ARG 39 8.666 9.372 -1.686 280 HB2 ARG 39 1HB ARG 39 11.046 9.094 -1.486 281 HB3 ARG 39 2HB ARG 39 11.309 9.365 -3.197 282 HG2 ARG 39 1HG ARG 39 10.773 11.730 -2.996 283 HG3 ARG 39 2HG ARG 39 10.174 11.520 -1.362 284 HD2 ARG 39 1HD ARG 39 12.266 11.700 -0.472 285 HD3 ARG 39 2HD ARG 39 12.923 10.520 -1.589 286 HE ARG 39 HE ARG 39 13.557 12.261 -3.063 287 HH11 ARG 39 1HH1 ARG 39 11.577 13.522 -0.441 288 HH12 ARG 39 2HH1 ARG 39 11.933 15.179 -0.798 289 HH21 ARG 39 1HH2 ARG 39 14.027 14.448 -3.534 290 HH22 ARG 39 2HH2 ARG 39 13.335 15.709 -2.569 291 H ILE 40 H ILE 40 9.500 9.405 -5.195 292 HA ILE 40 HA ILE 40 8.377 12.072 -5.459 293 HB ILE 40 HB ILE 40 9.131 11.792 -7.833 294 HG12 ILE 40 1HG1 ILE 40 10.843 9.492 -7.009 295 HG13 ILE 40 2HG1 ILE 40 9.168 9.146 -7.392 296 HG21 ILE 40 1HG2 ILE 40 10.913 11.838 -5.439 297 HG22 ILE 40 2HG2 ILE 40 11.662 11.725 -7.050 298 HG23 ILE 40 3HG2 ILE 40 10.592 13.092 -6.660 299 HD11 ILE 40 1HD1 ILE 40 9.411 10.260 -9.595 300 HD12 ILE 40 2HD1 ILE 40 11.100 10.665 -9.206 301 HD13 ILE 40 3HD1 ILE 40 10.615 8.963 -9.404 302 H VAL 41 H VAL 41 6.463 12.551 -6.551 303 HA VAL 41 HA VAL 41 4.512 10.518 -6.522 304 HB VAL 41 HB VAL 41 3.122 12.294 -7.618 305 HG11 VAL 41 1HG1 VAL 41 3.508 13.949 -5.598 306 HG12 VAL 41 2HG1 VAL 41 2.876 12.307 -5.325 307 HG13 VAL 41 3HG1 VAL 41 4.596 12.659 -5.030 308 HG21 VAL 41 1HG2 VAL 41 4.155 13.918 -8.748 309 HG22 VAL 41 2HG2 VAL 41 4.717 14.570 -7.190 310 HG23 VAL 41 3HG2 VAL 41 5.742 13.435 -8.101 311 H ARG 42 H ARG 42 6.592 11.979 -9.050 312 HA ARG 42 HA ARG 42 5.339 11.153 -11.270 313 HB2 ARG 42 1HB ARG 42 8.149 11.694 -10.482 314 HB3 ARG 42 2HB ARG 42 8.026 10.615 -11.857 315 HG2 ARG 42 1HG ARG 42 8.078 12.833 -12.775 316 HG3 ARG 42 2HG ARG 42 6.415 12.299 -12.921 317 HD2 ARG 42 1HD ARG 42 5.642 13.782 -11.302 318 HD3 ARG 42 2HD ARG 42 7.125 13.718 -10.372 319 HE ARG 42 HE ARG 42 6.492 15.684 -12.333 320 HH11 ARG 42 1HH1 ARG 42 9.197 13.637 -11.399 321 HH12 ARG 42 2HH1 ARG 42 10.398 14.734 -11.993 322 HH21 ARG 42 1HH2 ARG 42 8.076 17.133 -13.117 323 HH22 ARG 42 2HH2 ARG 42 9.757 16.736 -12.977 324 H GLY 43 H GLY 43 4.753 9.177 -12.133 325 HA2 GLY 43 1HA GLY 43 4.488 6.943 -12.272 326 HA3 GLY 43 2HA GLY 43 6.239 6.903 -12.312 327 H ASN 44 H ASN 44 3.514 7.254 -9.929 328 HA ASN 44 HA ASN 44 4.399 5.064 -8.455 329 HB2 ASN 44 1HB ASN 44 5.267 7.816 -7.539 330 HB3 ASN 44 2HB ASN 44 4.777 6.664 -6.312 331 HD21 ASN 44 1HD2 ASN 44 7.368 7.903 -7.672 332 HD22 ASN 44 2HD2 ASN 44 8.480 6.576 -7.671 333 H GLU 45 H GLU 45 2.626 4.406 -7.147 334 HA GLU 45 HA GLU 45 0.237 5.818 -7.471 335 HB2 GLU 45 1HB GLU 45 1.045 3.234 -6.615 336 HB3 GLU 45 2HB GLU 45 0.150 3.907 -5.267 337 HG2 GLU 45 1HG GLU 45 -1.467 2.811 -6.683 338 HG3 GLU 45 2HG GLU 45 -1.704 4.534 -6.899 339 H ILE 46 H ILE 46 2.686 5.622 -4.871 340 HA ILE 46 HA ILE 46 1.340 7.865 -3.581 341 HB ILE 46 HB ILE 46 2.315 5.444 -2.066 342 HG12 ILE 46 1HG1 ILE 46 -0.557 6.273 -2.556 343 HG13 ILE 46 2HG1 ILE 46 0.264 5.027 -3.474 344 HG21 ILE 46 1HG2 ILE 46 2.477 7.652 -0.913 345 HG22 ILE 46 2HG2 ILE 46 0.715 7.824 -1.096 346 HG23 ILE 46 3HG2 ILE 46 1.383 6.491 -0.124 347 HD11 ILE 46 1HD1 ILE 46 -0.802 3.793 -1.772 348 HD12 ILE 46 2HD1 ILE 46 0.844 3.993 -1.125 349 HD13 ILE 46 3HD1 ILE 46 -0.476 5.033 -0.537 350 H ALA 47 H ALA 47 2.761 9.359 -2.635 351 HA ALA 47 HA ALA 47 5.602 8.667 -2.768 352 HB1 ALA 47 1HB ALA 47 4.122 10.706 -4.345 353 HB2 ALA 47 2HB ALA 47 5.624 11.274 -3.578 354 HB3 ALA 47 3HB ALA 47 5.664 9.887 -4.692 355 H ILE 48 H ILE 48 6.434 8.959 -0.767 356 HA ILE 48 HA ILE 48 5.138 10.987 0.913 357 HB ILE 48 HB ILE 48 6.672 8.501 1.679 358 HG12 ILE 48 1HG1 ILE 48 3.871 8.787 2.523 359 HG13 ILE 48 2HG1 ILE 48 4.068 8.686 0.785 360 HG21 ILE 48 1HG2 ILE 48 6.658 10.740 3.150 361 HG22 ILE 48 2HG2 ILE 48 5.108 10.044 3.680 362 HG23 ILE 48 3HG2 ILE 48 6.611 9.109 3.861 363 HD11 ILE 48 1HD1 ILE 48 5.314 6.595 0.970 364 HD12 ILE 48 2HD1 ILE 48 5.363 6.737 2.744 365 HD13 ILE 48 3HD1 ILE 48 3.815 6.441 1.917 366 H LYS 49 H LYS 49 6.262 12.812 1.319 367 HA LYS 49 HA LYS 49 9.055 12.852 0.527 368 HB2 LYS 49 1HB LYS 49 7.089 15.041 1.253 369 HB3 LYS 49 2HB LYS 49 8.774 15.330 0.870 370 HG2 LYS 49 1HG LYS 49 7.115 13.688 -1.052 371 HG3 LYS 49 2HG LYS 49 6.898 15.426 -1.031 372 HD2 LYS 49 1HD LYS 49 9.294 15.785 -1.478 373 HD3 LYS 49 2HD LYS 49 9.616 14.068 -1.340 374 HE2 LYS 49 1HE LYS 49 8.934 13.656 -3.480 375 HE3 LYS 49 2HE LYS 49 7.476 14.610 -3.290 376 HZ1 LYS 49 1HZ LYS 49 9.821 16.208 -3.358 377 HZ2 LYS 49 2HZ LYS 49 9.640 15.323 -4.719 378 HZ3 LYS 49 3HZ LYS 49 8.452 16.336 -4.240 379 H ASP 50 H ASP 50 9.461 11.283 2.410 380 HA ASP 50 HA ASP 50 9.631 12.803 4.886 381 HB2 ASP 50 1HB ASP 50 8.422 10.776 5.269 382 HB3 ASP 50 2HB ASP 50 9.494 9.839 4.246 383 H ALA 51 H ALA 51 11.392 11.881 2.164 384 HA ALA 51 HA ALA 51 13.572 12.135 1.722 385 HB1 ALA 51 1HB ALA 51 13.459 13.439 4.085 386 HB2 ALA 51 2HB ALA 51 14.481 12.063 4.566 387 HB3 ALA 51 3HB ALA 51 14.988 13.124 3.229 388 H GLY 52 H GLY 52 13.151 10.153 4.746 389 HA2 GLY 52 1HA GLY 52 15.056 8.246 4.293 390 HA3 GLY 52 2HA GLY 52 13.540 7.968 5.127 391 H ILE 53 H ILE 53 12.033 8.788 2.540 392 HA ILE 53 HA ILE 53 12.168 6.127 1.367 393 HB ILE 53 HB ILE 53 10.138 8.350 1.140 394 HG12 ILE 53 1HG1 ILE 53 9.575 5.695 2.394 395 HG13 ILE 53 2HG1 ILE 53 10.522 6.849 3.312 396 HG21 ILE 53 1HG2 ILE 53 10.172 7.104 -0.929 397 HG22 ILE 53 2HG2 ILE 53 10.120 5.561 -0.044 398 HG23 ILE 53 3HG2 ILE 53 8.724 6.663 0.008 399 HD11 ILE 53 1HD1 ILE 53 8.546 8.509 2.423 400 HD12 ILE 53 2HD1 ILE 53 7.653 6.971 2.491 401 HD13 ILE 53 3HD1 ILE 53 8.446 7.605 3.953 402 H SER 54 H SER 54 12.422 5.779 -0.903 403 HA SER 54 HA SER 54 13.688 8.065 -2.199 404 HB2 SER 54 1HB SER 54 14.433 5.207 -1.970 405 HB3 SER 54 2HB SER 54 14.525 5.817 -3.610 406 HG SER 54 HG SER 54 15.609 7.630 -1.817 407 H THR 55 H THR 55 13.553 7.884 -4.727 408 HA THR 55 HA THR 55 10.966 8.085 -5.550 409 HB THR 55 HB THR 55 11.974 7.815 -7.845 410 HG1 THR 55 HG1 THR 55 14.263 7.141 -7.788 411 HG21 THR 55 1HG2 THR 55 12.984 9.852 -7.620 412 HG22 THR 55 2HG2 THR 55 12.817 9.688 -5.856 413 HG23 THR 55 3HG2 THR 55 14.299 9.126 -6.665 414 H LYS 56 H LYS 56 13.051 5.143 -5.969 415 HA LYS 56 HA LYS 56 10.538 3.643 -6.225 416 HB2 LYS 56 1HB LYS 56 13.269 3.104 -7.425 417 HB3 LYS 56 2HB LYS 56 11.930 1.975 -7.478 418 HG2 LYS 56 1HG LYS 56 11.660 4.835 -8.493 419 HG3 LYS 56 2HG LYS 56 12.242 3.542 -9.522 420 HD2 LYS 56 1HD LYS 56 10.154 2.653 -9.785 421 HD3 LYS 56 2HD LYS 56 9.789 2.776 -8.075 422 HE2 LYS 56 1HE LYS 56 8.652 4.739 -8.346 423 HE3 LYS 56 2HE LYS 56 9.909 5.428 -9.354 424 HZ1 LYS 56 1HZ LYS 56 7.881 3.504 -10.262 425 HZ2 LYS 56 2HZ LYS 56 7.874 5.108 -10.569 426 HZ3 LYS 56 3HZ LYS 56 9.045 4.161 -11.200 427 H HIS 57 H HIS 57 10.645 3.909 -3.750 428 HA HIS 57 HA HIS 57 12.669 2.573 -2.346 429 HB2 HIS 57 1HB HIS 57 11.219 4.310 -1.383 430 HB3 HIS 57 2HB HIS 57 9.830 3.252 -1.529 431 HD2 HIS 57 HD2 HIS 57 10.989 0.519 -0.165 432 HE1 HIS 57 HE1 HIS 57 12.008 3.003 3.136 433 HE2 HIS 57 HE2 HIS 57 11.556 0.590 2.318 434 H LEU 58 H LEU 58 9.190 1.595 -2.786 435 HA LEU 58 HA LEU 58 10.076 -1.106 -3.330 436 HB2 LEU 58 1HB LEU 58 8.494 -1.988 -1.574 437 HB3 LEU 58 2HB LEU 58 10.027 -1.341 -1.023 438 HG LEU 58 HG LEU 58 9.011 0.635 -0.167 439 HD11 LEU 58 1HD1 LEU 58 6.526 1.016 -0.385 440 HD12 LEU 58 2HD1 LEU 58 7.476 1.239 -1.874 441 HD13 LEU 58 3HD1 LEU 58 6.521 -0.245 -1.641 442 HD21 LEU 58 1HD2 LEU 58 8.524 -0.572 1.630 443 HD22 LEU 58 2HD2 LEU 58 6.874 -0.766 0.992 444 HD23 LEU 58 3HD2 LEU 58 8.115 -1.991 0.637 445 H ARG 59 H ARG 59 7.961 -2.511 -3.720 446 HA ARG 59 HA ARG 59 5.956 -0.774 -4.893 447 HB2 ARG 59 1HB ARG 59 7.111 -1.341 -6.868 448 HB3 ARG 59 2HB ARG 59 7.604 -2.908 -6.258 449 HG2 ARG 59 1HG ARG 59 5.311 -3.780 -6.496 450 HG3 ARG 59 2HG ARG 59 4.715 -2.195 -6.948 451 HD2 ARG 59 1HD ARG 59 5.646 -2.293 -9.090 452 HD3 ARG 59 2HD ARG 59 6.981 -3.310 -8.587 453 HE ARG 59 HE ARG 59 4.523 -4.769 -8.286 454 HH11 ARG 59 1HH1 ARG 59 6.689 -3.560 -10.781 455 HH12 ARG 59 2HH1 ARG 59 6.258 -4.784 -11.928 456 HH21 ARG 59 1HH2 ARG 59 3.954 -6.385 -9.798 457 HH22 ARG 59 2HH2 ARG 59 4.692 -6.402 -11.365 458 H ILE 60 H ILE 60 3.865 -1.458 -4.420 459 HA ILE 60 HA ILE 60 3.648 -4.094 -3.155 460 HB ILE 60 HB ILE 60 2.005 -1.580 -2.870 461 HG12 ILE 60 1HG1 ILE 60 3.215 -2.888 -0.515 462 HG13 ILE 60 2HG1 ILE 60 4.372 -2.236 -1.659 463 HG21 ILE 60 1HG2 ILE 60 1.478 -3.923 -1.125 464 HG22 ILE 60 2HG2 ILE 60 0.372 -2.678 -1.754 465 HG23 ILE 60 3HG2 ILE 60 0.888 -4.022 -2.801 466 HD11 ILE 60 1HD1 ILE 60 3.845 -0.081 -1.139 467 HD12 ILE 60 2HD1 ILE 60 2.096 -0.412 -1.174 468 HD13 ILE 60 3HD1 ILE 60 3.040 -0.770 0.291 469 H GLU 61 H GLU 61 2.215 -5.628 -3.935 470 HA GLU 61 HA GLU 61 0.353 -4.834 -5.958 471 HB2 GLU 61 1HB GLU 61 1.215 -6.552 -7.601 472 HB3 GLU 61 2HB GLU 61 2.265 -5.165 -7.392 473 HG2 GLU 61 1HG GLU 61 3.951 -6.597 -6.892 474 HG3 GLU 61 2HG GLU 61 3.114 -6.986 -5.402 475 H SER 62 H SER 62 -0.939 -6.896 -6.715 476 HA SER 62 HA SER 62 -1.283 -8.507 -4.319 477 HB2 SER 62 1HB SER 62 -3.454 -7.944 -4.592 478 HB3 SER 62 2HB SER 62 -3.115 -7.183 -6.134 479 HG SER 62 HG SER 62 -4.600 -8.899 -6.455 480 H ASP 63 H ASP 63 -2.296 -10.820 -4.939 481 HA ASP 63 HA ASP 63 -0.899 -11.800 -7.292 482 HB2 ASP 63 1HB ASP 63 0.495 -12.367 -5.350 483 HB3 ASP 63 2HB ASP 63 -0.890 -13.006 -4.488 484 H SER 64 H SER 64 -2.968 -11.977 -8.388 485 HA SER 64 HA SER 64 -4.740 -13.054 -9.052 486 HB2 SER 64 1HB SER 64 -3.392 -15.052 -7.692 487 HB3 SER 64 2HB SER 64 -4.939 -15.059 -6.868 488 HG SER 64 HG SER 64 -5.435 -14.875 -9.532 489 H GLY 65 H GLY 65 -4.950 -13.660 -5.468 490 HA2 GLY 65 1HA GLY 65 -7.105 -11.676 -5.289 491 HA3 GLY 65 2HA GLY 65 -7.458 -13.335 -4.849 492 H ASN 66 H ASN 66 -4.280 -11.726 -4.374 493 HA ASN 66 HA ASN 66 -4.884 -11.472 -1.559 494 HB2 ASN 66 1HB ASN 66 -2.675 -13.183 -2.773 495 HB3 ASN 66 2HB ASN 66 -2.468 -12.486 -1.178 496 HD21 ASN 66 1HD2 ASN 66 -2.804 -15.275 -2.185 497 HD22 ASN 66 2HD2 ASN 66 -4.091 -15.973 -1.259 498 H TRP 67 H TRP 67 -2.959 -10.228 -0.449 499 HA TRP 67 HA TRP 67 -1.851 -8.339 -2.409 500 HB2 TRP 67 1HB TRP 67 -2.702 -7.984 0.463 501 HB3 TRP 67 2HB TRP 67 -1.690 -6.824 -0.376 502 HD1 TRP 67 HD1 TRP 67 -5.314 -7.842 -0.017 503 HE1 TRP 67 HE1 TRP 67 -6.927 -6.334 -1.462 504 HE3 TRP 67 HE3 TRP 67 -1.641 -5.567 -2.699 505 HZ2 TRP 67 HZ2 TRP 67 -6.496 -4.403 -3.518 506 HZ3 TRP 67 HZ3 TRP 67 -2.322 -3.882 -4.405 507 HH2 TRP 67 HH2 TRP 67 -4.655 -3.289 -4.834 508 H VAL 68 H VAL 68 0.388 -7.996 -2.409 509 HA VAL 68 HA VAL 68 1.919 -9.353 -0.321 510 HB VAL 68 HB VAL 68 3.287 -10.492 -1.840 511 HG11 VAL 68 1HG1 VAL 68 0.391 -10.708 -2.713 512 HG12 VAL 68 2HG1 VAL 68 1.666 -11.832 -3.243 513 HG13 VAL 68 3HG1 VAL 68 1.254 -11.704 -1.516 514 HG21 VAL 68 1HG2 VAL 68 2.452 -8.423 -3.698 515 HG22 VAL 68 2HG2 VAL 68 3.876 -9.489 -3.747 516 HG23 VAL 68 3HG2 VAL 68 2.330 -10.037 -4.437 517 H ILE 69 H ILE 69 4.133 -8.501 -0.115 518 HA ILE 69 HA ILE 69 4.410 -5.864 -1.373 519 HB ILE 69 HB ILE 69 3.618 -5.594 0.908 520 HG12 ILE 69 1HG1 ILE 69 6.461 -4.777 1.178 521 HG13 ILE 69 2HG1 ILE 69 5.645 -4.249 -0.281 522 HG21 ILE 69 1HG2 ILE 69 4.546 -7.771 1.752 523 HG22 ILE 69 2HG2 ILE 69 6.140 -6.983 1.838 524 HG23 ILE 69 3HG2 ILE 69 4.791 -6.374 2.828 525 HD11 ILE 69 1HD1 ILE 69 3.765 -3.816 1.797 526 HD12 ILE 69 2HD1 ILE 69 5.332 -3.276 2.449 527 HD13 ILE 69 3HD1 ILE 69 4.711 -2.581 0.932 528 H GLN 70 H GLN 70 6.571 -5.219 -1.865 529 HA GLN 70 HA GLN 70 8.581 -7.246 -1.384 530 HB2 GLN 70 1HB GLN 70 7.716 -7.808 -3.601 531 HB3 GLN 70 2HB GLN 70 7.851 -6.143 -4.130 532 HG2 GLN 70 1HG GLN 70 10.326 -6.238 -3.847 533 HG3 GLN 70 2HG GLN 70 10.208 -7.890 -3.273 534 HE21 GLN 70 1HE2 GLN 70 11.327 -8.871 -4.856 535 HE22 GLN 70 2HE2 GLN 70 10.838 -8.967 -6.515 536 H ASP 71 H ASP 71 10.510 -6.336 -0.755 537 HA ASP 71 HA ASP 71 10.592 -3.481 -0.698 538 HB2 ASP 71 1HB ASP 71 11.371 -4.589 1.283 539 HB3 ASP 71 2HB ASP 71 12.354 -5.715 0.368 540 H LEU 72 H LEU 72 11.232 -2.515 -2.649 541 HA LEU 72 HA LEU 72 12.936 -3.871 -4.477 542 HB2 LEU 72 1HB LEU 72 11.778 -1.091 -4.351 543 HB3 LEU 72 2HB LEU 72 12.852 -1.607 -5.636 544 HG LEU 72 HG LEU 72 11.300 -3.105 -6.529 545 HD11 LEU 72 1HD1 LEU 72 10.700 -4.363 -4.584 546 HD12 LEU 72 2HD1 LEU 72 9.827 -2.977 -3.887 547 HD13 LEU 72 3HD1 LEU 72 9.202 -3.780 -5.348 548 HD21 LEU 72 1HD2 LEU 72 9.203 -1.830 -6.788 549 HD22 LEU 72 2HD2 LEU 72 9.709 -0.759 -5.459 550 HD23 LEU 72 3HD2 LEU 72 10.653 -0.813 -6.967 551 H GLY 73 H GLY 73 14.445 -4.153 -2.362 552 HA2 GLY 73 1HA GLY 73 16.268 -3.439 -1.171 553 HA3 GLY 73 2HA GLY 73 16.896 -3.318 -2.803 554 H SER 74 H SER 74 14.502 -1.316 -0.932 555 HA SER 74 HA SER 74 14.978 1.049 -1.992 556 HB2 SER 74 1HB SER 74 14.345 2.063 0.184 557 HB3 SER 74 2HB SER 74 13.343 0.677 -0.199 558 HG SER 74 HG SER 74 14.572 1.017 2.058 559 H SER 75 H SER 75 16.399 0.783 1.287 560 HA SER 75 HA SER 75 19.058 0.961 0.373 561 HB2 SER 75 1HB SER 75 17.554 3.455 0.802 562 HB3 SER 75 2HB SER 75 18.982 3.371 1.813 563 HG SER 75 HG SER 75 18.771 3.459 -1.027 564 H ASN 76 H ASN 76 16.863 2.045 3.071 565 HA ASN 76 HA ASN 76 18.769 1.065 4.972 566 HB2 ASN 76 1HB ASN 76 15.963 2.224 5.393 567 HB3 ASN 76 2HB ASN 76 17.150 1.961 6.655 568 HD21 ASN 76 1HD2 ASN 76 15.835 4.172 4.601 569 HD22 ASN 76 2HD2 ASN 76 17.077 5.379 4.566 570 H GLY 77 H GLY 77 15.641 0.222 3.468 571 HA2 GLY 77 1HA GLY 77 15.107 -2.127 3.328 572 HA3 GLY 77 2HA GLY 77 15.634 -2.314 4.989 573 H THR 78 H THR 78 13.060 -3.147 4.124 574 HA THR 78 HA THR 78 11.309 -1.086 5.288 575 HB THR 78 HB THR 78 10.551 -3.491 3.557 576 HG1 THR 78 HG1 THR 78 11.290 -2.208 1.909 577 HG21 THR 78 1HG2 THR 78 8.497 -2.337 3.196 578 HG22 THR 78 2HG2 THR 78 8.795 -2.076 4.931 579 HG23 THR 78 3HG2 THR 78 9.168 -0.788 3.760 580 H LEU 79 H LEU 79 9.798 -1.635 6.903 581 HA LEU 79 HA LEU 79 10.442 -4.176 8.232 582 HB2 LEU 79 1HB LEU 79 10.037 -1.410 9.310 583 HB3 LEU 79 2HB LEU 79 9.626 -2.797 10.299 584 HG LEU 79 HG LEU 79 12.356 -2.370 9.057 585 HD11 LEU 79 1HD1 LEU 79 13.007 -1.800 11.459 586 HD12 LEU 79 2HD1 LEU 79 12.128 -0.559 10.535 587 HD13 LEU 79 3HD1 LEU 79 11.271 -1.539 11.748 588 HD21 LEU 79 1HD2 LEU 79 11.982 -4.061 11.463 589 HD22 LEU 79 2HD2 LEU 79 11.325 -4.700 9.937 590 HD23 LEU 79 3HD2 LEU 79 13.049 -4.273 10.054 591 H LEU 80 H LEU 80 8.759 -5.535 8.706 592 HA LEU 80 HA LEU 80 6.082 -4.467 8.129 593 HB2 LEU 80 1HB LEU 80 6.974 -6.027 6.416 594 HB3 LEU 80 2HB LEU 80 7.100 -7.270 7.645 595 HG LEU 80 HG LEU 80 4.661 -7.209 7.979 596 HD11 LEU 80 1HD1 LEU 80 3.667 -5.889 5.736 597 HD12 LEU 80 2HD1 LEU 80 3.553 -5.360 7.432 598 HD13 LEU 80 3HD1 LEU 80 4.885 -4.777 6.406 599 HD21 LEU 80 1HD2 LEU 80 5.188 -8.908 6.534 600 HD22 LEU 80 2HD2 LEU 80 4.091 -7.945 5.515 601 HD23 LEU 80 3HD2 LEU 80 5.853 -7.810 5.301 602 H ASN 81 H ASN 81 5.045 -4.145 10.025 603 HA ASN 81 HA ASN 81 4.229 -4.499 12.001 604 HB2 ASN 81 1HB ASN 81 4.867 -7.379 11.243 605 HB3 ASN 81 2HB ASN 81 4.226 -7.017 12.834 606 HD21 ASN 81 1HD2 ASN 81 3.427 -7.938 9.817 607 HD22 ASN 81 2HD2 ASN 81 1.783 -7.404 9.708 608 H SER 82 H SER 82 6.555 -7.263 12.229 609 HA SER 82 HA SER 82 8.338 -5.626 13.800 610 HB2 SER 82 1HB SER 82 6.564 -6.784 15.303 611 HB3 SER 82 2HB SER 82 7.367 -8.288 14.901 612 HG SER 82 HG SER 82 9.062 -6.187 15.758 613 H ASN 83 H ASN 83 9.202 -6.195 11.431 614 HA ASN 83 HA ASN 83 11.304 -7.943 11.788 615 HB2 ASN 83 1HB ASN 83 9.083 -9.456 11.295 616 HB3 ASN 83 2HB ASN 83 9.533 -9.097 9.640 617 HD21 ASN 83 1HD2 ASN 83 10.965 -10.338 8.696 618 HD22 ASN 83 2HD2 ASN 83 12.088 -11.410 9.463 619 H ALA 84 H ALA 84 12.826 -7.608 10.042 620 HA ALA 84 HA ALA 84 12.124 -5.449 8.274 621 HB1 ALA 84 1HB ALA 84 14.692 -6.414 7.653 622 HB2 ALA 84 2HB ALA 84 14.293 -5.044 8.717 623 HB3 ALA 84 3HB ALA 84 14.517 -6.670 9.405 624 H LEU 85 H LEU 85 11.363 -5.670 6.231 625 HA LEU 85 HA LEU 85 10.812 -8.197 5.173 626 HB2 LEU 85 1HB LEU 85 10.864 -5.440 3.947 627 HB3 LEU 85 2HB LEU 85 10.321 -6.867 3.087 628 HG LEU 85 HG LEU 85 9.088 -5.857 5.664 629 HD11 LEU 85 1HD1 LEU 85 8.880 -4.751 3.077 630 HD12 LEU 85 2HD1 LEU 85 7.361 -5.630 3.377 631 HD13 LEU 85 3HD1 LEU 85 7.903 -4.376 4.517 632 HD21 LEU 85 1HD2 LEU 85 7.869 -7.712 5.718 633 HD22 LEU 85 2HD2 LEU 85 7.409 -7.534 4.008 634 HD23 LEU 85 3HD2 LEU 85 8.920 -8.369 4.441 635 H ASP 86 H ASP 86 11.566 -8.411 2.591 636 HA ASP 86 HA ASP 86 14.444 -8.088 2.573 637 HB2 ASP 86 1HB ASP 86 13.034 -10.598 2.919 638 HB3 ASP 86 2HB ASP 86 13.818 -10.618 1.352 639 HA PRO 87 HA PRO 87 13.421 -7.145 -1.592 640 HB2 PRO 87 1HB PRO 87 15.900 -7.180 -2.742 641 HB3 PRO 87 2HB PRO 87 15.285 -5.814 -1.832 642 HG2 PRO 87 1HG PRO 87 17.292 -7.828 -1.022 643 HG3 PRO 87 2HG PRO 87 16.979 -6.249 -0.328 644 HD2 PRO 87 1HD PRO 87 16.185 -8.786 0.749 645 HD3 PRO 87 2HD PRO 87 15.773 -7.204 1.380 646 H GLU 88 H GLU 88 15.446 -9.942 -1.042 647 HA GLU 88 HA GLU 88 14.545 -11.017 -3.560 648 HB2 GLU 88 1HB GLU 88 16.475 -12.093 -1.458 649 HB3 GLU 88 2HB GLU 88 16.101 -12.920 -2.957 650 HG2 GLU 88 1HG GLU 88 16.822 -10.757 -4.176 651 HG3 GLU 88 2HG GLU 88 17.445 -10.203 -2.635 652 H THR 89 H THR 89 12.517 -10.530 -1.538 653 HA THR 89 HA THR 89 11.375 -13.160 -1.460 654 HB THR 89 HB THR 89 12.150 -11.719 1.132 655 HG1 THR 89 HG1 THR 89 13.827 -13.148 0.928 656 HG21 THR 89 1HG2 THR 89 11.120 -14.535 1.080 657 HG22 THR 89 2HG2 THR 89 10.891 -13.271 2.313 658 HG23 THR 89 3HG2 THR 89 9.901 -13.261 0.833 659 H SER 90 H SER 90 9.121 -13.137 -1.167 660 HA SER 90 HA SER 90 8.040 -10.430 -1.055 661 HB2 SER 90 1HB SER 90 6.354 -11.051 -2.696 662 HB3 SER 90 2HB SER 90 7.936 -11.414 -3.356 663 HG SER 90 HG SER 90 7.264 -13.648 -2.115 664 H VAL 91 H VAL 91 6.623 -10.128 0.630 665 HA VAL 91 HA VAL 91 5.567 -12.551 1.898 666 HB VAL 91 HB VAL 91 5.688 -9.787 3.086 667 HG11 VAL 91 1HG1 VAL 91 6.104 -11.756 5.035 668 HG12 VAL 91 2HG1 VAL 91 4.612 -10.831 4.743 669 HG13 VAL 91 3HG1 VAL 91 4.838 -12.421 3.975 670 HG21 VAL 91 1HG2 VAL 91 7.959 -10.318 2.372 671 HG22 VAL 91 2HG2 VAL 91 7.829 -10.424 4.144 672 HG23 VAL 91 3HG2 VAL 91 7.860 -11.909 3.163 673 H ASN 92 H ASN 92 3.324 -12.641 2.497 674 HA ASN 92 HA ASN 92 1.719 -11.150 0.644 675 HB2 ASN 92 1HB ASN 92 -0.100 -12.682 1.373 676 HB3 ASN 92 2HB ASN 92 1.336 -13.599 0.962 677 HD21 ASN 92 1HD2 ASN 92 2.569 -14.571 2.548 678 HD22 ASN 92 2HD2 ASN 92 2.010 -14.826 4.167 679 H LEU 93 H LEU 93 0.884 -9.168 1.313 680 HA LEU 93 HA LEU 93 1.065 -8.160 3.851 681 HB2 LEU 93 1HB LEU 93 -0.731 -7.530 1.524 682 HB3 LEU 93 2HB LEU 93 -0.842 -6.636 3.027 683 HG LEU 93 HG LEU 93 1.618 -6.858 1.270 684 HD11 LEU 93 1HD1 LEU 93 -0.638 -4.964 1.374 685 HD12 LEU 93 2HD1 LEU 93 0.975 -4.212 1.369 686 HD13 LEU 93 3HD1 LEU 93 0.510 -5.326 0.062 687 HD21 LEU 93 1HD2 LEU 93 1.185 -5.721 3.999 688 HD22 LEU 93 2HD2 LEU 93 2.596 -6.560 3.314 689 HD23 LEU 93 3HD2 LEU 93 2.272 -4.864 2.880 690 H GLY 94 H GLY 94 -0.399 -7.903 5.615 691 HA2 GLY 94 1HA GLY 94 -2.586 -9.898 5.622 692 HA3 GLY 94 2HA GLY 94 -1.541 -9.588 6.993 693 H ASP 95 H ASP 95 -3.754 -9.204 8.039 694 HA ASP 95 HA ASP 95 -4.839 -6.621 7.325 695 HB2 ASP 95 1HB ASP 95 -6.294 -7.638 9.507 696 HB3 ASP 95 2HB ASP 95 -6.769 -7.704 7.821 697 H GLY 96 H GLY 96 -4.233 -4.821 8.543 698 HA2 GLY 96 1HA GLY 96 -3.713 -3.588 10.379 699 HA3 GLY 96 2HA GLY 96 -3.805 -5.023 11.381 700 H ASP 97 H ASP 97 -1.823 -4.877 8.408 701 HA ASP 97 HA ASP 97 0.466 -5.490 10.006 702 HB2 ASP 97 1HB ASP 97 0.067 -5.150 6.998 703 HB3 ASP 97 2HB ASP 97 1.595 -5.615 7.720 704 H VAL 98 H VAL 98 1.862 -3.881 10.742 705 HA VAL 98 HA VAL 98 1.563 -1.218 9.630 706 HB VAL 98 HB VAL 98 2.714 -2.436 12.103 707 HG11 VAL 98 1HG1 VAL 98 3.415 0.172 12.441 708 HG12 VAL 98 2HG1 VAL 98 4.538 -1.111 11.931 709 HG13 VAL 98 3HG1 VAL 98 3.786 -0.051 10.715 710 HG21 VAL 98 1HG2 VAL 98 0.711 -0.290 11.416 711 HG22 VAL 98 2HG2 VAL 98 0.505 -1.750 12.415 712 HG23 VAL 98 3HG2 VAL 98 1.443 -0.370 13.037 713 H ILE 99 H ILE 99 2.867 -0.460 8.051 714 HA ILE 99 HA ILE 99 5.366 -1.922 7.600 715 HB ILE 99 HB ILE 99 3.835 -0.125 5.718 716 HG12 ILE 99 1HG1 ILE 99 3.883 -3.155 5.805 717 HG13 ILE 99 2HG1 ILE 99 2.560 -2.164 6.386 718 HG21 ILE 99 1HG2 ILE 99 5.735 -2.143 4.696 719 HG22 ILE 99 2HG2 ILE 99 5.427 -0.472 4.168 720 HG23 ILE 99 3HG2 ILE 99 6.462 -0.782 5.583 721 HD11 ILE 99 1HD1 ILE 99 2.822 -1.072 3.917 722 HD12 ILE 99 2HD1 ILE 99 3.439 -2.706 3.575 723 HD13 ILE 99 3HD1 ILE 99 1.799 -2.494 4.232 724 H LYS 100 H LYS 100 7.078 -0.996 8.590 725 HA LYS 100 HA LYS 100 7.053 1.912 8.869 726 HB2 LYS 100 1HB LYS 100 8.248 -0.351 10.389 727 HB3 LYS 100 2HB LYS 100 9.186 1.127 10.318 728 HG2 LYS 100 1HG LYS 100 7.621 2.354 11.523 729 HG3 LYS 100 2HG LYS 100 6.259 1.449 10.894 730 HD2 LYS 100 1HD LYS 100 6.222 0.384 12.905 731 HD3 LYS 100 2HD LYS 100 7.626 -0.500 12.339 732 HE2 LYS 100 1HE LYS 100 9.140 1.181 13.347 733 HE3 LYS 100 2HE LYS 100 7.772 2.167 13.826 734 HZ1 LYS 100 1HZ LYS 100 7.495 -0.489 14.739 735 HZ2 LYS 100 2HZ LYS 100 8.894 0.165 15.270 736 HZ3 LYS 100 3HZ LYS 100 7.474 0.903 15.593 737 H LEU 101 H LEU 101 7.844 2.902 7.072 738 HA LEU 101 HA LEU 101 10.404 1.868 6.078 739 HB2 LEU 101 1HB LEU 101 9.773 2.305 3.839 740 HB3 LEU 101 2HB LEU 101 8.544 1.289 4.566 741 HG LEU 101 HG LEU 101 8.064 4.233 4.603 742 HD11 LEU 101 1HD1 LEU 101 8.994 3.750 2.330 743 HD12 LEU 101 2HD1 LEU 101 7.644 2.617 2.077 744 HD13 LEU 101 3HD1 LEU 101 7.317 4.348 2.335 745 HD21 LEU 101 1HD2 LEU 101 6.075 3.510 5.258 746 HD22 LEU 101 2HD2 LEU 101 5.848 2.733 3.673 747 HD23 LEU 101 3HD2 LEU 101 6.577 1.820 5.016 748 H GLY 102 H GLY 102 11.719 3.599 4.957 749 HA2 GLY 102 1HA GLY 102 12.615 5.666 4.865 750 HA3 GLY 102 2HA GLY 102 11.077 6.337 5.369 751 H GLU 103 H GLU 103 11.745 7.780 6.965 752 HA GLU 103 HA GLU 103 13.530 6.759 8.991 753 HB2 GLU 103 1HB GLU 103 12.395 9.552 8.524 754 HB3 GLU 103 2HB GLU 103 13.540 9.146 9.788 755 HG2 GLU 103 1HG GLU 103 14.839 8.086 7.615 756 HG3 GLU 103 2HG GLU 103 13.975 9.397 6.839 757 H TYR 104 H TYR 104 10.524 8.815 9.065 758 HA TYR 104 HA TYR 104 9.616 7.145 11.311 759 HB2 TYR 104 1HB TYR 104 9.460 10.170 10.745 760 HB3 TYR 104 2HB TYR 104 8.592 9.410 12.063 761 HD1 TYR 104 HD1 TYR 104 9.791 8.556 14.038 762 HD2 TYR 104 HD2 TYR 104 11.871 10.516 10.854 763 HE1 TYR 104 HE1 TYR 104 11.824 8.850 15.537 764 HE2 TYR 104 HE2 TYR 104 13.896 10.803 12.364 765 HH TYR 104 HH TYR 104 14.782 9.449 14.462 766 H THR 105 H THR 105 8.912 6.427 8.721 767 HA THR 105 HA THR 105 6.159 7.462 8.518 768 HB THR 105 HB THR 105 8.176 6.541 6.412 769 HG1 THR 105 HG1 THR 105 8.149 8.792 7.210 770 HG21 THR 105 1HG2 THR 105 5.233 6.459 6.353 771 HG22 THR 105 2HG2 THR 105 5.879 7.614 5.163 772 HG23 THR 105 3HG2 THR 105 6.393 5.910 5.119 773 H SER 106 H SER 106 4.570 6.091 9.001 774 HA SER 106 HA SER 106 5.207 3.261 8.721 775 HB2 SER 106 1HB SER 106 3.525 4.492 10.948 776 HB3 SER 106 2HB SER 106 3.912 2.792 10.766 777 HG SER 106 HG SER 106 6.271 3.647 10.826 778 H ILE 107 H ILE 107 3.617 2.025 7.689 779 HA ILE 107 HA ILE 107 1.132 3.460 7.055 780 HB ILE 107 HB ILE 107 2.586 1.467 5.316 781 HG12 ILE 107 1HG1 ILE 107 2.481 4.487 5.054 782 HG13 ILE 107 2HG1 ILE 107 3.870 3.572 5.607 783 HG21 ILE 107 1HG2 ILE 107 0.679 1.342 4.193 784 HG22 ILE 107 2HG2 ILE 107 -0.085 2.528 5.279 785 HG23 ILE 107 3HG2 ILE 107 0.804 3.082 3.840 786 HD11 ILE 107 1HD1 ILE 107 2.590 3.558 2.853 787 HD12 ILE 107 2HD1 ILE 107 4.280 3.907 3.290 788 HD13 ILE 107 3HD1 ILE 107 3.664 2.239 3.379 789 H LEU 108 H LEU 108 -0.812 2.340 7.284 790 HA LEU 108 HA LEU 108 -0.518 -0.271 8.594 791 HB2 LEU 108 1HB LEU 108 -1.508 0.960 10.205 792 HB3 LEU 108 2HB LEU 108 -2.227 2.091 9.076 793 HG LEU 108 HG LEU 108 -3.982 0.469 8.524 794 HD11 LEU 108 1HD1 LEU 108 -2.230 -1.356 10.021 795 HD12 LEU 108 2HD1 LEU 108 -3.955 -1.483 10.441 796 HD13 LEU 108 3HD1 LEU 108 -3.433 -1.689 8.752 797 HD21 LEU 108 1HD2 LEU 108 -5.283 0.947 10.336 798 HD22 LEU 108 2HD2 LEU 108 -4.014 0.517 11.509 799 HD23 LEU 108 3HD2 LEU 108 -3.933 2.067 10.638 800 H VAL 109 H VAL 109 -1.430 -2.056 7.672 801 HA VAL 109 HA VAL 109 -2.801 -1.594 5.135 802 HB VAL 109 HB VAL 109 -1.425 -3.985 6.364 803 HG11 VAL 109 1HG1 VAL 109 -2.623 -3.926 3.588 804 HG12 VAL 109 2HG1 VAL 109 -2.026 -5.321 4.519 805 HG13 VAL 109 3HG1 VAL 109 -3.537 -4.513 4.998 806 HG21 VAL 109 1HG2 VAL 109 0.246 -2.605 5.522 807 HG22 VAL 109 2HG2 VAL 109 -0.088 -3.680 4.143 808 HG23 VAL 109 3HG2 VAL 109 -0.760 -2.032 4.170 809 H ASN 110 H ASN 110 -4.983 -1.614 5.122 810 HA ASN 110 HA ASN 110 -6.249 -3.314 7.125 811 HB2 ASN 110 1HB ASN 110 -6.591 -0.462 6.555 812 HB3 ASN 110 2HB ASN 110 -8.106 -1.302 6.286 813 HD21 ASN 110 1HD2 ASN 110 -5.400 -1.755 8.561 814 HD22 ASN 110 2HD2 ASN 110 -6.331 -1.706 10.021 815 H PHE 111 H PHE 111 -7.470 -4.940 6.149 816 HA PHE 111 HA PHE 111 -7.892 -4.809 3.308 817 HB2 PHE 111 1HB PHE 111 -8.437 -6.779 5.596 818 HB3 PHE 111 2HB PHE 111 -8.985 -7.126 3.968 819 HD1 PHE 111 HD1 PHE 111 -6.641 -6.057 2.426 820 HD2 PHE 111 HD2 PHE 111 -6.823 -8.440 5.933 821 HE1 PHE 111 HE1 PHE 111 -4.395 -7.033 1.879 822 HE2 PHE 111 HE2 PHE 111 -4.576 -9.416 5.385 823 HZ PHE 111 HZ PHE 111 -3.389 -8.702 3.365 824 H VAL 112 H VAL 112 -9.583 -3.612 2.546 825 HA VAL 112 HA VAL 112 -11.973 -3.398 4.172 826 HB VAL 112 HB VAL 112 -12.649 -1.794 2.398 827 HG11 VAL 112 1HG1 VAL 112 -11.573 -0.940 4.374 828 HG12 VAL 112 2HG1 VAL 112 -9.963 -1.362 3.744 829 HG13 VAL 112 3HG1 VAL 112 -10.913 -0.074 2.966 830 HG21 VAL 112 1HG2 VAL 112 -10.949 -3.066 0.746 831 HG22 VAL 112 2HG2 VAL 112 -11.454 -1.376 0.506 832 HG23 VAL 112 3HG2 VAL 112 -9.891 -1.737 1.278 833 H SER 113 H SER 113 -14.013 -4.207 3.594 834 HA SER 113 HA SER 113 -14.513 -5.341 1.106 835 HB2 SER 113 1HB SER 113 -12.949 -7.037 2.656 836 HB3 SER 113 2HB SER 113 -14.567 -7.604 3.021 837 HG SER 113 HG SER 113 -13.198 -7.536 0.501 838 H GLY 114 H GLY 114 -16.635 -4.694 1.019 839 HA2 GLY 114 1HA GLY 114 -18.857 -4.809 1.516 840 HA3 GLY 114 2HA GLY 114 -18.501 -5.720 2.970 841 HA PRO 115 HA PRO 115 -19.292 -1.233 3.928 842 HB2 PRO 115 1HB PRO 115 -21.960 -1.222 4.521 843 HB3 PRO 115 2HB PRO 115 -21.321 -0.718 2.969 844 HG2 PRO 115 1HG PRO 115 -22.718 -3.227 3.671 845 HG3 PRO 115 2HG PRO 115 -22.455 -2.522 2.088 846 HD2 PRO 115 1HD PRO 115 -21.040 -4.737 3.237 847 HD3 PRO 115 2HD PRO 115 -20.702 -3.959 1.704 848 H SER 116 H SER 116 -19.953 -0.211 6.038 849 HA SER 116 HA SER 116 -18.769 -1.526 8.045 850 HB2 SER 116 1HB SER 116 -19.693 0.893 7.927 851 HB3 SER 116 2HB SER 116 -21.208 0.232 8.509 852 HG SER 116 HG SER 116 -18.727 -0.271 9.892 853 H SER 117 H SER 117 -22.375 -1.360 7.529 854 HA SER 117 HA SER 117 -24.002 -2.633 8.203 855 HB2 SER 117 1HB SER 117 -21.865 -4.619 7.474 856 HB3 SER 117 2HB SER 117 -23.294 -5.238 8.277 857 HG SER 117 HG SER 117 -24.609 -4.486 6.599 858 H GLY 118 H GLY 118 -24.118 -1.725 10.361 859 HA2 GLY 118 1HA GLY 118 -24.200 -1.844 12.603 860 HA3 GLY 118 2HA GLY 118 -24.023 -3.581 12.450 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -38.874 -5.936 -5.095 2 HA2 GLY 1 1HA GLY 1 -37.709 -3.289 -4.644 3 HA3 GLY 1 2HA GLY 1 -37.863 -4.355 -3.261 4 H SER 2 H SER 2 -36.530 -6.212 -3.058 5 HA SER 2 HA SER 2 -34.786 -7.466 -3.359 6 HB2 SER 2 1HB SER 2 -35.977 -7.354 -5.934 7 HB3 SER 2 2HB SER 2 -34.258 -7.155 -6.214 8 HG SER 2 HG SER 2 -35.613 -9.430 -5.624 9 H SER 3 H SER 3 -32.370 -7.439 -4.049 10 HA SER 3 HA SER 3 -31.413 -4.870 -4.850 11 HB2 SER 3 1HB SER 3 -29.911 -4.684 -2.798 12 HB3 SER 3 2HB SER 3 -31.609 -4.353 -2.519 13 HG SER 3 HG SER 3 -31.869 -6.275 -1.441 14 H GLY 4 H GLY 4 -29.055 -4.939 -5.338 15 HA2 GLY 4 1HA GLY 4 -28.163 -7.713 -5.816 16 HA3 GLY 4 2HA GLY 4 -27.734 -6.312 -6.779 17 H SER 5 H SER 5 -26.468 -8.450 -4.623 18 HA SER 5 HA SER 5 -24.893 -6.428 -3.251 19 HB2 SER 5 1HB SER 5 -24.389 -8.078 -1.596 20 HB3 SER 5 2HB SER 5 -26.100 -8.254 -1.934 21 HG SER 5 HG SER 5 -25.193 -10.331 -1.935 22 H SER 6 H SER 6 -22.647 -6.291 -3.573 23 HA SER 6 HA SER 6 -21.685 -7.888 -5.783 24 HB2 SER 6 1HB SER 6 -20.986 -5.236 -4.582 25 HB3 SER 6 2HB SER 6 -19.656 -6.137 -5.283 26 HG SER 6 HG SER 6 -21.661 -6.323 -7.054 27 H GLY 7 H GLY 7 -20.495 -9.706 -5.348 28 HA2 GLY 7 1HA GLY 7 -19.262 -9.950 -2.692 29 HA3 GLY 7 2HA GLY 7 -19.650 -11.252 -3.799 30 H MET 8 H MET 8 -17.101 -9.601 -2.478 31 HA MET 8 HA MET 8 -15.510 -9.896 -4.907 32 HB2 MET 8 1HB MET 8 -15.783 -7.733 -3.054 33 HB3 MET 8 2HB MET 8 -14.213 -8.431 -2.708 34 HG2 MET 8 1HG MET 8 -13.618 -6.951 -4.409 35 HG3 MET 8 2HG MET 8 -13.940 -8.383 -5.367 36 HE1 MET 8 1HE MET 8 -14.709 -7.491 -7.629 37 HE2 MET 8 2HE MET 8 -15.801 -8.720 -6.949 38 HE3 MET 8 3HE MET 8 -16.472 -7.291 -7.771 39 H VAL 9 H VAL 9 -13.380 -10.884 -4.722 40 HA VAL 9 HA VAL 9 -13.219 -12.649 -2.383 41 HB VAL 9 HB VAL 9 -12.037 -14.183 -3.783 42 HG11 VAL 9 1HG1 VAL 9 -13.758 -14.574 -5.604 43 HG12 VAL 9 2HG1 VAL 9 -14.401 -14.432 -3.949 44 HG13 VAL 9 3HG1 VAL 9 -14.537 -13.062 -5.078 45 HG21 VAL 9 1HG2 VAL 9 -11.988 -13.464 -6.358 46 HG22 VAL 9 2HG2 VAL 9 -11.843 -11.846 -5.630 47 HG23 VAL 9 3HG2 VAL 9 -10.647 -13.107 -5.243 48 H THR 10 H THR 10 -12.021 -9.772 -3.634 49 HA THR 10 HA THR 10 -9.575 -10.085 -2.052 50 HB THR 10 HB THR 10 -9.640 -8.762 -4.807 51 HG1 THR 10 HG1 THR 10 -10.075 -11.047 -5.007 52 HG21 THR 10 1HG2 THR 10 -7.337 -9.993 -3.215 53 HG22 THR 10 2HG2 THR 10 -7.221 -9.015 -4.698 54 HG23 THR 10 3HG2 THR 10 -7.721 -8.256 -3.167 55 HA PRO 11 HA PRO 11 -11.324 -6.397 -0.545 56 HB2 PRO 11 1HB PRO 11 -9.775 -6.204 1.698 57 HB3 PRO 11 2HB PRO 11 -11.259 -7.133 1.635 58 HG2 PRO 11 1HG PRO 11 -8.466 -8.100 1.624 59 HG3 PRO 11 2HG PRO 11 -9.933 -8.987 1.987 60 HD2 PRO 11 1HD PRO 11 -8.414 -9.104 -0.443 61 HD3 PRO 11 2HD PRO 11 -9.941 -9.901 -0.122 62 H SER 12 H SER 12 -10.967 -4.224 -0.758 63 HA SER 12 HA SER 12 -8.832 -3.559 -2.355 64 HB2 SER 12 1HB SER 12 -11.102 -2.262 -1.204 65 HB3 SER 12 2HB SER 12 -9.716 -1.267 -0.805 66 HG SER 12 HG SER 12 -9.509 -0.679 -2.861 67 H LEU 13 H LEU 13 -6.941 -2.143 -1.879 68 HA LEU 13 HA LEU 13 -5.803 -2.859 0.697 69 HB2 LEU 13 1HB LEU 13 -4.622 -3.265 -1.466 70 HB3 LEU 13 2HB LEU 13 -4.515 -1.530 -1.689 71 HG LEU 13 HG LEU 13 -3.112 -1.298 0.272 72 HD11 LEU 13 1HD1 LEU 13 -4.131 -3.962 0.893 73 HD12 LEU 13 2HD1 LEU 13 -2.364 -3.840 1.072 74 HD13 LEU 13 3HD1 LEU 13 -3.428 -2.721 1.958 75 HD21 LEU 13 1HD2 LEU 13 -1.322 -3.186 -0.541 76 HD22 LEU 13 2HD2 LEU 13 -2.389 -3.077 -1.962 77 HD23 LEU 13 3HD2 LEU 13 -1.584 -1.617 -1.339 78 H ARG 14 H ARG 14 -6.212 -1.527 2.377 79 HA ARG 14 HA ARG 14 -6.504 1.288 1.733 80 HB2 ARG 14 1HB ARG 14 -8.416 0.254 2.933 81 HB3 ARG 14 2HB ARG 14 -7.349 -0.306 4.206 82 HG2 ARG 14 1HG ARG 14 -6.716 2.332 4.285 83 HG3 ARG 14 2HG ARG 14 -8.337 2.477 3.637 84 HD2 ARG 14 1HD ARG 14 -8.621 0.590 5.711 85 HD3 ARG 14 2HD ARG 14 -7.477 1.747 6.361 86 HE ARG 14 HE ARG 14 -9.785 3.005 5.062 87 HH11 ARG 14 1HH1 ARG 14 -8.541 1.665 8.068 88 HH12 ARG 14 2HH1 ARG 14 -9.639 2.555 9.068 89 HH21 ARG 14 1HH2 ARG 14 -11.235 4.180 6.381 90 HH22 ARG 14 2HH2 ARG 14 -11.182 3.995 8.102 91 H LEU 15 H LEU 15 -4.411 2.153 1.810 92 HA LEU 15 HA LEU 15 -2.635 1.301 3.930 93 HB2 LEU 15 1HB LEU 15 -2.310 3.142 1.562 94 HB3 LEU 15 2HB LEU 15 -1.057 2.873 2.757 95 HG LEU 15 HG LEU 15 -2.297 0.648 1.121 96 HD11 LEU 15 1HD1 LEU 15 0.443 1.579 0.479 97 HD12 LEU 15 2HD1 LEU 15 -0.845 0.955 -0.580 98 HD13 LEU 15 3HD1 LEU 15 -0.893 2.645 -0.021 99 HD21 LEU 15 1HD2 LEU 15 0.428 0.483 2.316 100 HD22 LEU 15 2HD2 LEU 15 -0.970 0.353 3.411 101 HD23 LEU 15 3HD2 LEU 15 -0.795 -0.784 2.052 102 H VAL 16 H VAL 16 -2.914 2.158 5.919 103 HA VAL 16 HA VAL 16 -3.912 4.903 6.066 104 HB VAL 16 HB VAL 16 -3.690 2.730 8.160 105 HG11 VAL 16 1HG1 VAL 16 -3.550 5.068 9.043 106 HG12 VAL 16 2HG1 VAL 16 -5.147 5.388 8.324 107 HG13 VAL 16 3HG1 VAL 16 -4.978 4.166 9.607 108 HG21 VAL 16 1HG2 VAL 16 -5.795 2.059 7.676 109 HG22 VAL 16 2HG2 VAL 16 -6.346 3.706 7.286 110 HG23 VAL 16 3HG2 VAL 16 -5.442 2.761 6.079 111 H PHE 17 H PHE 17 -2.573 6.558 6.594 112 HA PHE 17 HA PHE 17 0.179 5.904 7.139 113 HB2 PHE 17 1HB PHE 17 -1.557 8.260 6.390 114 HB3 PHE 17 2HB PHE 17 -0.095 8.659 7.270 115 HD1 PHE 17 HD2 PHE 17 2.129 7.798 6.320 116 HD2 PHE 17 HD1 PHE 17 -1.479 7.866 4.086 117 HE1 PHE 17 HE2 PHE 17 3.447 7.675 4.187 118 HE2 PHE 17 HE1 PHE 17 -0.161 7.743 1.954 119 HZ PHE 17 HZ PHE 17 2.286 7.649 2.029 120 H VAL 18 H VAL 18 0.122 5.002 9.276 121 HA VAL 18 HA VAL 18 -1.103 6.468 11.396 122 HB VAL 18 HB VAL 18 0.124 4.752 12.785 123 HG11 VAL 18 1HG1 VAL 18 -1.264 2.811 11.755 124 HG12 VAL 18 2HG1 VAL 18 -2.116 4.252 12.358 125 HG13 VAL 18 3HG1 VAL 18 -1.843 4.046 10.612 126 HG21 VAL 18 1HG2 VAL 18 1.725 3.470 11.910 127 HG22 VAL 18 2HG2 VAL 18 0.637 2.921 10.612 128 HG23 VAL 18 3HG2 VAL 18 1.597 4.406 10.401 129 H LYS 19 H LYS 19 2.035 6.398 9.777 130 HA LYS 19 HA LYS 19 2.876 8.569 11.523 131 HB2 LYS 19 1HB LYS 19 4.569 6.105 11.008 132 HB3 LYS 19 2HB LYS 19 5.125 7.573 11.787 133 HG2 LYS 19 1HG LYS 19 2.948 7.124 13.331 134 HG3 LYS 19 2HG LYS 19 3.232 5.472 12.819 135 HD2 LYS 19 1HD LYS 19 5.698 5.827 13.532 136 HD3 LYS 19 2HD LYS 19 5.162 7.308 14.300 137 HE2 LYS 19 1HE LYS 19 3.308 5.316 15.138 138 HE3 LYS 19 2HE LYS 19 4.882 4.551 15.229 139 HZ1 LYS 19 1HZ LYS 19 5.512 5.913 16.862 140 HZ2 LYS 19 2HZ LYS 19 4.775 7.233 16.245 141 HZ3 LYS 19 3HZ LYS 19 3.912 6.140 17.098 142 H GLY 20 H GLY 20 5.074 9.487 10.529 143 HA2 GLY 20 1HA GLY 20 6.314 9.896 8.574 144 HA3 GLY 20 2HA GLY 20 5.002 9.268 7.598 145 HA PRO 21 HA PRO 21 4.633 13.813 7.662 146 HB2 PRO 21 1HB PRO 21 4.891 14.272 4.980 147 HB3 PRO 21 2HB PRO 21 6.230 14.387 6.105 148 HG2 PRO 21 1HG PRO 21 5.632 12.253 4.148 149 HG3 PRO 21 2HG PRO 21 7.144 12.604 4.961 150 HD2 PRO 21 1HD PRO 21 5.310 10.489 5.586 151 HD3 PRO 21 2HD PRO 21 6.762 10.912 6.470 152 H ARG 22 H ARG 22 3.101 11.211 6.140 153 HA ARG 22 HA ARG 22 0.852 12.927 5.516 154 HB2 ARG 22 1HB ARG 22 1.768 10.199 4.601 155 HB3 ARG 22 2HB ARG 22 0.048 10.529 4.560 156 HG2 ARG 22 1HG ARG 22 0.237 11.993 2.805 157 HG3 ARG 22 2HG ARG 22 1.681 12.743 3.456 158 HD2 ARG 22 1HD ARG 22 3.066 11.432 2.195 159 HD3 ARG 22 2HD ARG 22 2.186 9.969 2.590 160 HE ARG 22 HE ARG 22 0.973 10.187 0.599 161 HH11 ARG 22 1HH1 ARG 22 2.496 13.266 1.363 162 HH12 ARG 22 2HH1 ARG 22 2.052 14.004 -0.140 163 HH21 ARG 22 1HH2 ARG 22 0.388 11.159 -1.384 164 HH22 ARG 22 2HH2 ARG 22 0.845 12.797 -1.713 165 H GLU 23 H GLU 23 1.986 11.486 8.188 166 HA GLU 23 HA GLU 23 0.344 9.620 9.112 167 HB2 GLU 23 1HB GLU 23 2.208 10.604 10.400 168 HB3 GLU 23 2HB GLU 23 1.303 12.087 10.627 169 HG2 GLU 23 1HG GLU 23 -0.342 9.847 11.471 170 HG3 GLU 23 2HG GLU 23 1.228 9.718 12.240 171 H GLY 24 H GLY 24 -1.841 9.366 9.229 172 HA2 GLY 24 1HA GLY 24 -3.899 10.103 10.178 173 HA3 GLY 24 2HA GLY 24 -3.472 11.759 9.797 174 H ASP 25 H ASP 25 -2.433 9.756 7.243 175 HA ASP 25 HA ASP 25 -4.791 10.534 5.742 176 HB2 ASP 25 1HB ASP 25 -1.914 9.914 5.036 177 HB3 ASP 25 2HB ASP 25 -3.141 9.742 3.797 178 H ALA 26 H ALA 26 -5.511 8.879 4.006 179 HA ALA 26 HA ALA 26 -4.706 6.152 4.450 180 HB1 ALA 26 1HB ALA 26 -7.636 6.769 4.848 181 HB2 ALA 26 2HB ALA 26 -6.713 5.325 5.329 182 HB3 ALA 26 3HB ALA 26 -6.507 6.851 6.222 183 H LEU 27 H LEU 27 -4.710 5.150 2.493 184 HA LEU 27 HA LEU 27 -6.369 6.393 0.411 185 HB2 LEU 27 1HB LEU 27 -3.783 4.880 0.044 186 HB3 LEU 27 2HB LEU 27 -4.704 5.717 -1.189 187 HG LEU 27 HG LEU 27 -3.865 7.410 1.086 188 HD11 LEU 27 1HD1 LEU 27 -1.760 6.432 -0.858 189 HD12 LEU 27 2HD1 LEU 27 -1.552 7.566 0.497 190 HD13 LEU 27 3HD1 LEU 27 -1.923 5.855 0.818 191 HD21 LEU 27 1HD2 LEU 27 -4.660 7.701 -1.635 192 HD22 LEU 27 2HD2 LEU 27 -4.340 8.963 -0.421 193 HD23 LEU 27 3HD2 LEU 27 -3.021 8.372 -1.461 194 H ASP 28 H ASP 28 -6.836 4.710 -1.439 195 HA ASP 28 HA ASP 28 -7.178 2.067 -0.349 196 HB2 ASP 28 1HB ASP 28 -9.545 1.971 -0.696 197 HB3 ASP 28 2HB ASP 28 -9.261 3.456 0.190 198 H TYR 29 H TYR 29 -6.999 0.520 -2.038 199 HA TYR 29 HA TYR 29 -7.249 1.523 -4.782 200 HB2 TYR 29 1HB TYR 29 -5.049 -0.244 -3.538 201 HB3 TYR 29 2HB TYR 29 -5.122 0.201 -5.232 202 HD1 TYR 29 HD2 TYR 29 -4.418 1.418 -1.823 203 HD2 TYR 29 HD1 TYR 29 -4.450 2.413 -5.984 204 HE1 TYR 29 HE2 TYR 29 -3.031 3.494 -1.345 205 HE2 TYR 29 HE1 TYR 29 -3.063 4.486 -5.492 206 HH TYR 29 HH TYR 29 -2.851 5.974 -3.066 207 H LYS 30 H LYS 30 -7.847 -0.074 -6.344 208 HA LYS 30 HA LYS 30 -9.448 -2.145 -5.253 209 HB2 LYS 30 1HB LYS 30 -8.907 -0.954 -7.901 210 HB3 LYS 30 2HB LYS 30 -9.312 -2.658 -7.940 211 HG2 LYS 30 1HG LYS 30 -11.455 -2.322 -7.056 212 HG3 LYS 30 2HG LYS 30 -10.990 -0.875 -6.184 213 HD2 LYS 30 1HD LYS 30 -10.905 0.427 -8.266 214 HD3 LYS 30 2HD LYS 30 -11.163 -1.014 -9.229 215 HE2 LYS 30 1HE LYS 30 -13.340 -1.130 -7.528 216 HE3 LYS 30 2HE LYS 30 -13.130 0.603 -7.678 217 HZ1 LYS 30 1HZ LYS 30 -14.385 0.153 -9.487 218 HZ2 LYS 30 2HZ LYS 30 -12.914 -0.012 -10.175 219 HZ3 LYS 30 3HZ LYS 30 -13.763 -1.336 -9.737 220 HA PRO 31 HA PRO 31 -6.694 -5.465 -5.383 221 HB2 PRO 31 1HB PRO 31 -8.225 -7.575 -6.201 222 HB3 PRO 31 2HB PRO 31 -8.258 -6.945 -4.567 223 HG2 PRO 31 1HG PRO 31 -10.253 -6.611 -6.722 224 HG3 PRO 31 2HG PRO 31 -10.449 -6.366 -4.998 225 HD2 PRO 31 1HD PRO 31 -10.147 -4.332 -6.997 226 HD3 PRO 31 2HD PRO 31 -10.226 -4.093 -5.263 227 H GLY 32 H GLY 32 -5.024 -6.300 -6.529 228 HA2 GLY 32 1HA GLY 32 -4.030 -7.154 -8.411 229 HA3 GLY 32 2HA GLY 32 -5.488 -6.860 -9.340 230 H SER 33 H SER 33 -4.487 -4.178 -7.349 231 HA SER 33 HA SER 33 -3.431 -2.912 -9.753 232 HB2 SER 33 1HB SER 33 -5.248 -1.997 -7.577 233 HB3 SER 33 2HB SER 33 -4.041 -0.824 -8.065 234 HG SER 33 HG SER 33 -4.860 -0.757 -10.136 235 H THR 34 H THR 34 -1.201 -3.016 -9.641 236 HA THR 34 HA THR 34 0.228 -3.203 -7.233 237 HB THR 34 HB THR 34 1.011 -2.401 -10.084 238 HG1 THR 34 HG1 THR 34 0.609 -4.579 -10.190 239 HG21 THR 34 1HG2 THR 34 3.244 -2.502 -9.485 240 HG22 THR 34 2HG2 THR 34 2.632 -2.034 -7.880 241 HG23 THR 34 3HG2 THR 34 2.949 -3.747 -8.248 242 H ILE 35 H ILE 35 0.735 -1.764 -5.713 243 HA ILE 35 HA ILE 35 0.435 1.060 -6.451 244 HB ILE 35 HB ILE 35 0.207 -0.317 -3.773 245 HG12 ILE 35 1HG1 ILE 35 -2.119 1.158 -4.656 246 HG13 ILE 35 2HG1 ILE 35 -1.667 -0.027 -5.865 247 HG21 ILE 35 1HG2 ILE 35 0.291 1.651 -2.727 248 HG22 ILE 35 2HG2 ILE 35 1.039 2.277 -4.217 249 HG23 ILE 35 3HG2 ILE 35 -0.714 2.452 -3.960 250 HD11 ILE 35 1HD1 ILE 35 -1.533 -1.769 -4.018 251 HD12 ILE 35 2HD1 ILE 35 -2.196 -0.547 -2.907 252 HD13 ILE 35 3HD1 ILE 35 -3.164 -1.110 -4.290 253 H ARG 36 H ARG 36 2.408 1.786 -7.119 254 HA ARG 36 HA ARG 36 4.741 0.758 -5.838 255 HB2 ARG 36 1HB ARG 36 4.495 2.992 -7.914 256 HB3 ARG 36 2HB ARG 36 5.968 2.144 -7.487 257 HG2 ARG 36 1HG ARG 36 5.499 0.550 -9.026 258 HG3 ARG 36 2HG ARG 36 4.038 0.132 -8.152 259 HD2 ARG 36 1HD ARG 36 3.548 2.593 -9.596 260 HD3 ARG 36 2HD ARG 36 4.264 1.443 -10.708 261 HE ARG 36 HE ARG 36 2.132 0.295 -9.048 262 HH11 ARG 36 1HH1 ARG 36 2.875 1.991 -12.040 263 HH12 ARG 36 2HH1 ARG 36 1.427 1.478 -12.840 264 HH21 ARG 36 1HH2 ARG 36 0.222 -0.382 -10.103 265 HH22 ARG 36 2HH2 ARG 36 -0.093 0.119 -11.730 266 H VAL 37 H VAL 37 5.173 1.565 -3.791 267 HA VAL 37 HA VAL 37 4.543 4.354 -3.253 268 HB VAL 37 HB VAL 37 5.538 2.153 -1.433 269 HG11 VAL 37 1HG1 VAL 37 4.022 4.522 -0.432 270 HG12 VAL 37 2HG1 VAL 37 5.311 3.571 0.344 271 HG13 VAL 37 3HG1 VAL 37 5.719 4.770 -0.907 272 HG21 VAL 37 1HG2 VAL 37 3.025 2.387 -0.653 273 HG22 VAL 37 2HG2 VAL 37 2.788 2.952 -2.324 274 HG23 VAL 37 3HG2 VAL 37 3.465 1.335 -2.019 275 H GLY 38 H GLY 38 6.048 5.908 -3.542 276 HA2 GLY 38 1HA GLY 38 8.869 5.192 -3.078 277 HA3 GLY 38 2HA GLY 38 8.392 5.970 -4.574 278 H ARG 39 H ARG 39 9.700 7.844 -4.080 279 HA ARG 39 HA ARG 39 8.657 9.388 -1.847 280 HB2 ARG 39 1HB ARG 39 11.028 9.072 -1.573 281 HB3 ARG 39 2HB ARG 39 11.351 9.374 -3.268 282 HG2 ARG 39 1HG ARG 39 10.810 11.741 -3.034 283 HG3 ARG 39 2HG ARG 39 10.191 11.499 -1.412 284 HD2 ARG 39 1HD ARG 39 12.286 11.512 -0.471 285 HD3 ARG 39 2HD ARG 39 12.977 10.533 -1.750 286 HE ARG 39 HE ARG 39 12.892 13.462 -1.642 287 HH11 ARG 39 1HH1 ARG 39 13.222 10.659 -3.743 288 HH12 ARG 39 2HH1 ARG 39 14.042 11.533 -4.993 289 HH21 ARG 39 1HH2 ARG 39 13.974 14.616 -3.291 290 HH22 ARG 39 2HH2 ARG 39 14.473 13.799 -4.734 291 H ILE 40 H ILE 40 9.438 9.351 -5.344 292 HA ILE 40 HA ILE 40 8.419 12.071 -5.610 293 HB ILE 40 HB ILE 40 9.211 11.744 -7.993 294 HG12 ILE 40 1HG1 ILE 40 10.928 9.506 -6.988 295 HG13 ILE 40 2HG1 ILE 40 9.300 9.134 -7.517 296 HG21 ILE 40 1HG2 ILE 40 10.558 13.141 -6.760 297 HG22 ILE 40 2HG2 ILE 40 10.961 11.886 -5.564 298 HG23 ILE 40 3HG2 ILE 40 11.702 11.844 -7.182 299 HD11 ILE 40 1HD1 ILE 40 11.416 10.599 -9.161 300 HD12 ILE 40 2HD1 ILE 40 10.870 8.922 -9.403 301 HD13 ILE 40 3HD1 ILE 40 9.750 10.274 -9.700 302 H VAL 41 H VAL 41 6.473 12.555 -6.574 303 HA VAL 41 HA VAL 41 4.524 10.561 -6.651 304 HB VAL 41 HB VAL 41 3.195 12.354 -7.820 305 HG11 VAL 41 1HG1 VAL 41 4.623 13.255 -5.297 306 HG12 VAL 41 2HG1 VAL 41 2.999 13.731 -5.848 307 HG13 VAL 41 3HG1 VAL 41 3.311 12.053 -5.340 308 HG21 VAL 41 1HG2 VAL 41 4.803 14.604 -7.314 309 HG22 VAL 41 2HG2 VAL 41 5.853 13.456 -8.179 310 HG23 VAL 41 3HG2 VAL 41 4.305 13.964 -8.898 311 H ARG 42 H ARG 42 6.650 11.987 -9.167 312 HA ARG 42 HA ARG 42 5.413 11.103 -11.385 313 HB2 ARG 42 1HB ARG 42 8.361 11.345 -10.670 314 HB3 ARG 42 2HB ARG 42 7.883 10.813 -12.270 315 HG2 ARG 42 1HG ARG 42 6.316 12.953 -12.227 316 HG3 ARG 42 2HG ARG 42 7.380 13.491 -10.942 317 HD2 ARG 42 1HD ARG 42 8.926 12.438 -13.207 318 HD3 ARG 42 2HD ARG 42 7.843 13.712 -13.728 319 HE ARG 42 HE ARG 42 10.205 14.042 -12.097 320 HH11 ARG 42 1HH1 ARG 42 6.960 15.319 -12.564 321 HH12 ARG 42 2HH1 ARG 42 7.347 16.885 -11.933 322 HH21 ARG 42 1HH2 ARG 42 10.717 16.107 -11.264 323 HH22 ARG 42 2HH2 ARG 42 9.499 17.336 -11.188 324 H GLY 43 H GLY 43 4.798 9.088 -12.108 325 HA2 GLY 43 1HA GLY 43 4.621 6.848 -12.231 326 HA3 GLY 43 2HA GLY 43 6.372 6.852 -12.288 327 H ASN 44 H ASN 44 3.673 7.210 -9.876 328 HA ASN 44 HA ASN 44 4.621 5.069 -8.364 329 HB2 ASN 44 1HB ASN 44 5.431 7.863 -7.517 330 HB3 ASN 44 2HB ASN 44 4.997 6.717 -6.264 331 HD21 ASN 44 1HD2 ASN 44 7.511 7.994 -7.798 332 HD22 ASN 44 2HD2 ASN 44 8.667 6.705 -7.760 333 H GLU 45 H GLU 45 2.801 4.355 -7.201 334 HA GLU 45 HA GLU 45 0.427 5.797 -7.441 335 HB2 GLU 45 1HB GLU 45 1.315 3.213 -6.308 336 HB3 GLU 45 2HB GLU 45 -0.047 3.907 -5.450 337 HG2 GLU 45 1HG GLU 45 0.049 3.584 -8.486 338 HG3 GLU 45 2HG GLU 45 -0.677 2.407 -7.409 339 H ILE 46 H ILE 46 2.915 5.545 -4.904 340 HA ILE 46 HA ILE 46 1.516 7.666 -3.466 341 HB ILE 46 HB ILE 46 2.552 5.117 -2.223 342 HG12 ILE 46 1HG1 ILE 46 -0.254 6.247 -2.152 343 HG13 ILE 46 2HG1 ILE 46 0.277 5.100 -3.367 344 HG21 ILE 46 1HG2 ILE 46 1.174 7.200 -0.602 345 HG22 ILE 46 2HG2 ILE 46 2.436 6.030 -0.147 346 HG23 ILE 46 3HG2 ILE 46 2.869 7.496 -1.059 347 HD11 ILE 46 1HD1 ILE 46 -0.527 3.613 -1.779 348 HD12 ILE 46 2HD1 ILE 46 1.151 3.756 -1.204 349 HD13 ILE 46 3HD1 ILE 46 -0.141 4.694 -0.418 350 H ALA 47 H ALA 47 2.884 9.227 -2.605 351 HA ALA 47 HA ALA 47 5.753 8.672 -2.810 352 HB1 ALA 47 1HB ALA 47 5.117 11.414 -3.530 353 HB2 ALA 47 2HB ALA 47 6.052 10.198 -4.433 354 HB3 ALA 47 3HB ALA 47 4.282 10.273 -4.612 355 H ILE 48 H ILE 48 6.690 9.041 -0.868 356 HA ILE 48 HA ILE 48 5.314 10.927 0.913 357 HB ILE 48 HB ILE 48 6.918 8.438 1.467 358 HG12 ILE 48 1HG1 ILE 48 4.273 8.955 2.711 359 HG13 ILE 48 2HG1 ILE 48 4.262 8.700 0.977 360 HG21 ILE 48 1HG2 ILE 48 6.902 8.918 3.793 361 HG22 ILE 48 2HG2 ILE 48 7.576 10.347 2.974 362 HG23 ILE 48 3HG2 ILE 48 5.896 10.368 3.560 363 HD11 ILE 48 1HD1 ILE 48 5.281 6.537 1.168 364 HD12 ILE 48 2HD1 ILE 48 5.758 6.832 2.857 365 HD13 ILE 48 3HD1 ILE 48 4.043 6.596 2.445 366 H LYS 49 H LYS 49 6.406 12.704 1.654 367 HA LYS 49 HA LYS 49 9.129 12.999 0.631 368 HB2 LYS 49 1HB LYS 49 6.968 14.963 1.397 369 HB3 LYS 49 2HB LYS 49 8.639 15.461 1.231 370 HG2 LYS 49 1HG LYS 49 7.695 13.782 -1.023 371 HG3 LYS 49 2HG LYS 49 6.792 15.274 -0.850 372 HD2 LYS 49 1HD LYS 49 8.573 15.956 -2.222 373 HD3 LYS 49 2HD LYS 49 9.154 16.418 -0.634 374 HE2 LYS 49 1HE LYS 49 9.808 13.620 -1.468 375 HE3 LYS 49 2HE LYS 49 10.589 14.881 -2.401 376 HZ1 LYS 49 1HZ LYS 49 11.697 15.631 -0.581 377 HZ2 LYS 49 2HZ LYS 49 10.593 15.097 0.497 378 HZ3 LYS 49 3HZ LYS 49 11.621 14.043 -0.209 379 H ASP 50 H ASP 50 9.800 11.434 2.390 380 HA ASP 50 HA ASP 50 10.052 12.921 4.887 381 HB2 ASP 50 1HB ASP 50 8.805 11.027 5.504 382 HB3 ASP 50 2HB ASP 50 9.557 10.007 4.294 383 H ALA 51 H ALA 51 11.605 11.947 2.091 384 HA ALA 51 HA ALA 51 13.760 12.014 1.519 385 HB1 ALA 51 1HB ALA 51 13.812 13.192 4.066 386 HB2 ALA 51 2HB ALA 51 15.053 11.918 4.136 387 HB3 ALA 51 3HB ALA 51 15.136 13.172 2.876 388 H GLY 52 H GLY 52 13.404 10.126 4.611 389 HA2 GLY 52 1HA GLY 52 15.166 8.115 4.174 390 HA3 GLY 52 2HA GLY 52 13.629 7.912 4.990 391 H ILE 53 H ILE 53 12.156 8.758 2.412 392 HA ILE 53 HA ILE 53 12.237 6.099 1.225 393 HB ILE 53 HB ILE 53 10.231 8.346 1.017 394 HG12 ILE 53 1HG1 ILE 53 9.501 5.766 2.264 395 HG13 ILE 53 2HG1 ILE 53 10.669 6.714 3.163 396 HG21 ILE 53 1HG2 ILE 53 10.160 7.122 -1.032 397 HG22 ILE 53 2HG2 ILE 53 10.227 5.564 -0.173 398 HG23 ILE 53 3HG2 ILE 53 8.782 6.595 -0.036 399 HD11 ILE 53 1HD1 ILE 53 8.925 7.931 3.947 400 HD12 ILE 53 2HD1 ILE 53 8.766 8.612 2.310 401 HD13 ILE 53 3HD1 ILE 53 7.807 7.188 2.779 402 H SER 54 H SER 54 12.649 5.723 -0.971 403 HA SER 54 HA SER 54 13.818 8.036 -2.306 404 HB2 SER 54 1HB SER 54 14.641 5.200 -2.037 405 HB3 SER 54 2HB SER 54 14.745 5.806 -3.678 406 HG SER 54 HG SER 54 16.713 6.148 -2.409 407 H THR 55 H THR 55 13.596 8.029 -4.757 408 HA THR 55 HA THR 55 11.052 8.058 -5.617 409 HB THR 55 HB THR 55 12.053 7.901 -7.896 410 HG1 THR 55 HG1 THR 55 14.395 7.091 -6.325 411 HG21 THR 55 1HG2 THR 55 12.848 9.754 -5.964 412 HG22 THR 55 2HG2 THR 55 14.402 9.085 -6.519 413 HG23 THR 55 3HG2 THR 55 13.286 9.832 -7.687 414 H LYS 56 H LYS 56 13.236 5.205 -6.153 415 HA LYS 56 HA LYS 56 10.780 3.619 -6.408 416 HB2 LYS 56 1HB LYS 56 13.562 3.158 -7.522 417 HB3 LYS 56 2HB LYS 56 12.253 1.998 -7.623 418 HG2 LYS 56 1HG LYS 56 11.962 4.855 -8.643 419 HG3 LYS 56 2HG LYS 56 12.587 3.568 -9.654 420 HD2 LYS 56 1HD LYS 56 10.511 2.700 -10.006 421 HD3 LYS 56 2HD LYS 56 10.127 2.724 -8.297 422 HE2 LYS 56 1HE LYS 56 9.008 4.724 -8.441 423 HE3 LYS 56 2HE LYS 56 10.197 5.428 -9.518 424 HZ1 LYS 56 1HZ LYS 56 8.522 3.318 -10.579 425 HZ2 LYS 56 2HZ LYS 56 7.831 4.778 -10.339 426 HZ3 LYS 56 3HZ LYS 56 9.125 4.640 -11.325 427 H HIS 57 H HIS 57 10.781 3.861 -3.940 428 HA HIS 57 HA HIS 57 12.821 2.526 -2.510 429 HB2 HIS 57 1HB HIS 57 11.436 4.326 -1.563 430 HB3 HIS 57 2HB HIS 57 10.011 3.313 -1.689 431 HD2 HIS 57 HD2 HIS 57 11.099 0.558 -0.300 432 HE1 HIS 57 HE1 HIS 57 12.195 3.050 2.971 433 HE2 HIS 57 HE2 HIS 57 11.676 0.641 2.181 434 H LEU 58 H LEU 58 9.309 1.670 -2.950 435 HA LEU 58 HA LEU 58 10.061 -1.048 -3.528 436 HB2 LEU 58 1HB LEU 58 8.651 -1.958 -1.686 437 HB3 LEU 58 2HB LEU 58 10.181 -1.258 -1.196 438 HG LEU 58 HG LEU 58 9.114 0.690 -0.303 439 HD11 LEU 58 1HD1 LEU 58 6.526 0.767 -0.350 440 HD12 LEU 58 2HD1 LEU 58 7.435 1.300 -1.785 441 HD13 LEU 58 3HD1 LEU 58 6.680 -0.312 -1.758 442 HD21 LEU 58 1HD2 LEU 58 7.166 -0.753 1.044 443 HD22 LEU 58 2HD2 LEU 58 8.345 -1.989 0.544 444 HD23 LEU 58 3HD2 LEU 58 8.877 -0.588 1.504 445 H ARG 59 H ARG 59 7.913 -2.381 -3.841 446 HA ARG 59 HA ARG 59 5.861 -0.565 -4.794 447 HB2 ARG 59 1HB ARG 59 5.703 -1.650 -6.926 448 HB3 ARG 59 2HB ARG 59 7.421 -1.418 -6.675 449 HG2 ARG 59 1HG ARG 59 7.482 -3.797 -5.691 450 HG3 ARG 59 2HG ARG 59 5.835 -3.989 -6.258 451 HD2 ARG 59 1HD ARG 59 6.479 -4.204 -8.452 452 HD3 ARG 59 2HD ARG 59 7.662 -2.916 -8.335 453 HE ARG 59 HE ARG 59 8.777 -4.981 -6.836 454 HH11 ARG 59 1HH1 ARG 59 7.605 -4.667 -10.139 455 HH12 ARG 59 2HH1 ARG 59 8.694 -5.855 -10.774 456 HH21 ARG 59 1HH2 ARG 59 10.214 -6.548 -7.673 457 HH22 ARG 59 2HH2 ARG 59 10.188 -6.932 -9.362 458 H ILE 60 H ILE 60 3.701 -1.424 -4.654 459 HA ILE 60 HA ILE 60 3.561 -3.952 -3.169 460 HB ILE 60 HB ILE 60 1.989 -1.407 -3.048 461 HG12 ILE 60 1HG1 ILE 60 2.821 -3.133 -0.734 462 HG13 ILE 60 2HG1 ILE 60 4.018 -2.145 -1.547 463 HG21 ILE 60 1HG2 ILE 60 0.206 -2.476 -1.835 464 HG22 ILE 60 2HG2 ILE 60 0.361 -3.243 -3.434 465 HG23 ILE 60 3HG2 ILE 60 0.994 -4.064 -1.988 466 HD11 ILE 60 1HD1 ILE 60 1.859 -0.387 -1.244 467 HD12 ILE 60 2HD1 ILE 60 1.849 -1.331 0.265 468 HD13 ILE 60 3HD1 ILE 60 3.313 -0.443 -0.219 469 H GLU 61 H GLU 61 2.206 -5.598 -3.885 470 HA GLU 61 HA GLU 61 0.510 -5.024 -6.135 471 HB2 GLU 61 1HB GLU 61 1.495 -7.015 -7.408 472 HB3 GLU 61 2HB GLU 61 2.479 -5.566 -7.372 473 HG2 GLU 61 1HG GLU 61 2.998 -7.347 -5.068 474 HG3 GLU 61 2HG GLU 61 3.306 -8.129 -6.606 475 H SER 62 H SER 62 -0.923 -6.961 -6.660 476 HA SER 62 HA SER 62 -1.241 -8.552 -4.234 477 HB2 SER 62 1HB SER 62 -3.223 -7.384 -4.200 478 HB3 SER 62 2HB SER 62 -3.184 -7.046 -5.919 479 HG SER 62 HG SER 62 -4.585 -8.635 -6.160 480 H ASP 63 H ASP 63 -1.629 -10.809 -4.483 481 HA ASP 63 HA ASP 63 -1.186 -11.731 -7.208 482 HB2 ASP 63 1HB ASP 63 0.274 -12.313 -4.981 483 HB3 ASP 63 2HB ASP 63 -0.926 -13.584 -4.857 484 H SER 64 H SER 64 -1.934 -14.539 -6.344 485 HA SER 64 HA SER 64 -4.474 -14.666 -7.142 486 HB2 SER 64 1HB SER 64 -2.741 -16.400 -5.427 487 HB3 SER 64 2HB SER 64 -4.454 -16.771 -5.404 488 HG SER 64 HG SER 64 -3.593 -17.964 -7.100 489 H GLY 65 H GLY 65 -5.947 -13.122 -6.342 490 HA2 GLY 65 1HA GLY 65 -7.170 -11.968 -4.812 491 HA3 GLY 65 2HA GLY 65 -7.588 -13.588 -4.293 492 H ASN 66 H ASN 66 -4.505 -11.677 -4.028 493 HA ASN 66 HA ASN 66 -4.884 -11.486 -1.204 494 HB2 ASN 66 1HB ASN 66 -2.778 -13.285 -2.466 495 HB3 ASN 66 2HB ASN 66 -2.448 -12.512 -0.928 496 HD21 ASN 66 1HD2 ASN 66 -3.711 -12.983 0.886 497 HD22 ASN 66 2HD2 ASN 66 -4.659 -14.427 1.012 498 H TRP 67 H TRP 67 -2.894 -10.225 -0.240 499 HA TRP 67 HA TRP 67 -1.813 -8.466 -2.335 500 HB2 TRP 67 1HB TRP 67 -2.653 -7.880 0.503 501 HB3 TRP 67 2HB TRP 67 -1.647 -6.795 -0.436 502 HD1 TRP 67 HD1 TRP 67 -5.276 -7.952 -0.125 503 HE1 TRP 67 HE1 TRP 67 -6.896 -6.499 -1.618 504 HE3 TRP 67 HE3 TRP 67 -1.604 -5.486 -2.635 505 HZ2 TRP 67 HZ2 TRP 67 -6.470 -4.526 -3.635 506 HZ3 TRP 67 HZ3 TRP 67 -2.292 -3.813 -4.349 507 HH2 TRP 67 HH2 TRP 67 -4.629 -3.317 -4.865 508 H VAL 68 H VAL 68 0.435 -7.939 -2.195 509 HA VAL 68 HA VAL 68 1.940 -9.231 -0.065 510 HB VAL 68 HB VAL 68 3.225 -10.563 -1.413 511 HG11 VAL 68 1HG1 VAL 68 1.746 -11.860 -2.885 512 HG12 VAL 68 2HG1 VAL 68 0.932 -11.437 -1.360 513 HG13 VAL 68 3HG1 VAL 68 0.548 -10.543 -2.850 514 HG21 VAL 68 1HG2 VAL 68 2.704 -8.501 -3.463 515 HG22 VAL 68 2HG2 VAL 68 4.168 -9.460 -3.140 516 HG23 VAL 68 3HG2 VAL 68 2.837 -10.161 -4.091 517 H ILE 69 H ILE 69 4.096 -8.314 0.193 518 HA ILE 69 HA ILE 69 4.401 -5.774 -1.248 519 HB ILE 69 HB ILE 69 3.545 -5.374 0.995 520 HG12 ILE 69 1HG1 ILE 69 6.360 -4.486 1.289 521 HG13 ILE 69 2HG1 ILE 69 5.594 -4.084 -0.235 522 HG21 ILE 69 1HG2 ILE 69 6.009 -6.865 1.936 523 HG22 ILE 69 2HG2 ILE 69 4.922 -5.914 2.977 524 HG23 ILE 69 3HG2 ILE 69 4.312 -7.361 2.139 525 HD11 ILE 69 1HD1 ILE 69 5.042 -2.248 1.151 526 HD12 ILE 69 2HD1 ILE 69 3.580 -3.261 1.227 527 HD13 ILE 69 3HD1 ILE 69 4.751 -3.286 2.567 528 H GLN 70 H GLN 70 6.565 -5.145 -1.734 529 HA GLN 70 HA GLN 70 8.593 -7.086 -1.043 530 HB2 GLN 70 1HB GLN 70 7.797 -7.897 -3.200 531 HB3 GLN 70 2HB GLN 70 7.874 -6.290 -3.895 532 HG2 GLN 70 1HG GLN 70 10.352 -6.261 -3.569 533 HG3 GLN 70 2HG GLN 70 10.281 -7.859 -2.853 534 HE21 GLN 70 1HE2 GLN 70 11.454 -8.938 -4.331 535 HE22 GLN 70 2HE2 GLN 70 10.992 -9.195 -5.980 536 H ASP 71 H ASP 71 10.474 -6.068 -0.448 537 HA ASP 71 HA ASP 71 10.511 -3.224 -0.709 538 HB2 ASP 71 1HB ASP 71 11.238 -4.084 1.409 539 HB3 ASP 71 2HB ASP 71 12.265 -5.291 0.662 540 H LEU 72 H LEU 72 11.313 -2.366 -2.637 541 HA LEU 72 HA LEU 72 13.057 -3.918 -4.289 542 HB2 LEU 72 1HB LEU 72 11.946 -1.120 -4.503 543 HB3 LEU 72 2HB LEU 72 12.987 -1.847 -5.710 544 HG LEU 72 HG LEU 72 11.366 -3.313 -6.453 545 HD11 LEU 72 1HD1 LEU 72 10.898 -4.359 -4.289 546 HD12 LEU 72 2HD1 LEU 72 9.864 -2.981 -3.841 547 HD13 LEU 72 3HD1 LEU 72 9.401 -4.036 -5.197 548 HD21 LEU 72 1HD2 LEU 72 9.554 -1.111 -5.461 549 HD22 LEU 72 2HD2 LEU 72 10.759 -0.854 -6.746 550 HD23 LEU 72 3HD2 LEU 72 9.455 -2.044 -6.973 551 H GLY 73 H GLY 73 14.437 -3.920 -2.030 552 HA2 GLY 73 1HA GLY 73 16.202 -3.053 -0.854 553 HA3 GLY 73 2HA GLY 73 16.917 -3.158 -2.450 554 H SER 74 H SER 74 14.804 -0.945 -0.485 555 HA SER 74 HA SER 74 15.675 1.281 -2.032 556 HB2 SER 74 1HB SER 74 14.119 2.560 -0.748 557 HB3 SER 74 2HB SER 74 13.363 0.996 -0.976 558 HG SER 74 HG SER 74 14.352 2.201 1.384 559 H SER 75 H SER 75 17.987 0.172 -1.132 560 HA SER 75 HA SER 75 19.684 0.289 0.284 561 HB2 SER 75 1HB SER 75 19.396 2.561 -1.213 562 HB3 SER 75 2HB SER 75 19.458 3.267 0.389 563 HG SER 75 HG SER 75 21.588 3.136 -0.057 564 H ASN 76 H ASN 76 17.681 -0.421 1.929 565 HA ASN 76 HA ASN 76 18.450 0.607 4.366 566 HB2 ASN 76 1HB ASN 76 16.194 2.026 3.057 567 HB3 ASN 76 2HB ASN 76 15.773 1.415 4.645 568 HD21 ASN 76 1HD2 ASN 76 15.767 4.048 4.311 569 HD22 ASN 76 2HD2 ASN 76 17.103 4.822 5.095 570 H GLY 77 H GLY 77 15.318 -0.348 2.743 571 HA2 GLY 77 1HA GLY 77 14.666 -2.677 2.778 572 HA3 GLY 77 2HA GLY 77 15.298 -2.793 4.408 573 H THR 78 H THR 78 12.628 -3.530 3.765 574 HA THR 78 HA THR 78 11.094 -1.328 4.983 575 HB THR 78 HB THR 78 10.044 -3.652 3.297 576 HG1 THR 78 HG1 THR 78 10.432 -2.237 1.546 577 HG21 THR 78 1HG2 THR 78 8.098 -2.280 3.006 578 HG22 THR 78 2HG2 THR 78 8.472 -2.135 4.740 579 HG23 THR 78 3HG2 THR 78 8.932 -0.832 3.618 580 H LEU 79 H LEU 79 9.831 -1.694 6.785 581 HA LEU 79 HA LEU 79 10.343 -4.288 8.057 582 HB2 LEU 79 1HB LEU 79 9.976 -1.509 9.134 583 HB3 LEU 79 2HB LEU 79 9.679 -2.910 10.144 584 HG LEU 79 HG LEU 79 12.300 -2.447 8.704 585 HD11 LEU 79 1HD1 LEU 79 13.055 -1.813 11.112 586 HD12 LEU 79 2HD1 LEU 79 12.264 -0.593 10.086 587 HD13 LEU 79 3HD1 LEU 79 11.336 -1.422 11.358 588 HD21 LEU 79 1HD2 LEU 79 11.952 -4.082 11.193 589 HD22 LEU 79 2HD2 LEU 79 11.502 -4.770 9.614 590 HD23 LEU 79 3HD2 LEU 79 13.168 -4.211 9.899 591 H LEU 80 H LEU 80 8.628 -5.515 8.860 592 HA LEU 80 HA LEU 80 5.961 -4.417 8.317 593 HB2 LEU 80 1HB LEU 80 6.816 -6.034 6.566 594 HB3 LEU 80 2HB LEU 80 6.771 -7.275 7.802 595 HG LEU 80 HG LEU 80 4.355 -6.979 8.061 596 HD11 LEU 80 1HD1 LEU 80 3.786 -4.796 7.650 597 HD12 LEU 80 2HD1 LEU 80 4.810 -4.680 6.199 598 HD13 LEU 80 3HD1 LEU 80 3.265 -5.561 6.130 599 HD21 LEU 80 1HD2 LEU 80 5.166 -7.357 5.165 600 HD22 LEU 80 2HD2 LEU 80 5.203 -8.605 6.435 601 HD23 LEU 80 3HD2 LEU 80 3.650 -7.905 5.919 602 H ASN 81 H ASN 81 5.095 -4.065 10.297 603 HA ASN 81 HA ASN 81 4.316 -4.476 12.280 604 HB2 ASN 81 1HB ASN 81 5.180 -7.384 11.840 605 HB3 ASN 81 2HB ASN 81 4.122 -6.840 13.126 606 HD21 ASN 81 1HD2 ASN 81 4.332 -7.984 9.987 607 HD22 ASN 81 2HD2 ASN 81 2.716 -7.686 9.438 608 H SER 82 H SER 82 7.010 -6.932 12.075 609 HA SER 82 HA SER 82 8.755 -5.293 13.574 610 HB2 SER 82 1HB SER 82 7.157 -7.416 14.956 611 HB3 SER 82 2HB SER 82 8.863 -7.354 15.353 612 HG SER 82 HG SER 82 6.805 -5.490 15.909 613 H ASN 83 H ASN 83 9.300 -6.167 11.141 614 HA ASN 83 HA ASN 83 11.440 -7.931 11.539 615 HB2 ASN 83 1HB ASN 83 8.943 -9.186 10.923 616 HB3 ASN 83 2HB ASN 83 9.857 -9.207 9.428 617 HD21 ASN 83 1HD2 ASN 83 9.111 -11.427 11.072 618 HD22 ASN 83 2HD2 ASN 83 10.553 -12.225 11.603 619 H ALA 84 H ALA 84 12.940 -7.573 9.823 620 HA ALA 84 HA ALA 84 12.205 -5.537 7.937 621 HB1 ALA 84 1HB ALA 84 14.355 -5.154 8.619 622 HB2 ALA 84 2HB ALA 84 14.679 -6.877 8.926 623 HB3 ALA 84 3HB ALA 84 14.732 -6.244 7.264 624 H LEU 85 H LEU 85 11.286 -5.933 5.992 625 HA LEU 85 HA LEU 85 10.949 -8.564 5.054 626 HB2 LEU 85 1HB LEU 85 10.590 -5.940 3.600 627 HB3 LEU 85 2HB LEU 85 9.949 -7.495 3.107 628 HG LEU 85 HG LEU 85 9.207 -6.119 5.701 629 HD11 LEU 85 1HD1 LEU 85 8.596 -5.039 3.341 630 HD12 LEU 85 2HD1 LEU 85 7.289 -6.244 3.426 631 HD13 LEU 85 3HD1 LEU 85 7.469 -5.034 4.719 632 HD21 LEU 85 1HD2 LEU 85 7.658 -7.775 6.065 633 HD22 LEU 85 2HD2 LEU 85 7.553 -8.215 4.344 634 HD23 LEU 85 3HD2 LEU 85 8.972 -8.702 5.302 635 H ASP 86 H ASP 86 11.598 -9.154 2.684 636 HA ASP 86 HA ASP 86 14.416 -8.448 2.428 637 HB2 ASP 86 1HB ASP 86 13.251 -10.972 2.780 638 HB3 ASP 86 2HB ASP 86 13.501 -10.903 1.046 639 HA PRO 87 HA PRO 87 13.261 -7.105 -1.589 640 HB2 PRO 87 1HB PRO 87 15.696 -7.031 -2.827 641 HB3 PRO 87 2HB PRO 87 15.123 -5.762 -1.763 642 HG2 PRO 87 1HG PRO 87 17.146 -7.852 -1.234 643 HG3 PRO 87 2HG PRO 87 16.868 -6.350 -0.375 644 HD2 PRO 87 1HD PRO 87 16.098 -8.980 0.472 645 HD3 PRO 87 2HD PRO 87 15.720 -7.468 1.273 646 H GLU 88 H GLU 88 15.040 -10.047 -1.226 647 HA GLU 88 HA GLU 88 14.192 -10.829 -3.880 648 HB2 GLU 88 1HB GLU 88 16.043 -12.160 -1.855 649 HB3 GLU 88 2HB GLU 88 15.636 -12.864 -3.407 650 HG2 GLU 88 1HG GLU 88 16.409 -10.458 -4.321 651 HG3 GLU 88 2HG GLU 88 17.294 -10.414 -2.809 652 H THR 89 H THR 89 12.666 -10.602 -1.044 653 HA THR 89 HA THR 89 11.153 -13.068 -1.509 654 HB THR 89 HB THR 89 11.862 -12.082 1.289 655 HG1 THR 89 HG1 THR 89 13.559 -13.796 1.040 656 HG21 THR 89 1HG2 THR 89 10.016 -13.859 0.839 657 HG22 THR 89 2HG2 THR 89 11.332 -14.907 0.256 658 HG23 THR 89 3HG2 THR 89 11.325 -14.342 1.944 659 H SER 90 H SER 90 8.967 -12.844 -1.427 660 HA SER 90 HA SER 90 8.077 -10.160 -0.713 661 HB2 SER 90 1HB SER 90 7.779 -11.549 -3.138 662 HB3 SER 90 2HB SER 90 6.217 -11.730 -2.366 663 HG SER 90 HG SER 90 6.802 -9.187 -1.964 664 H VAL 91 H VAL 91 6.605 -9.993 0.959 665 HA VAL 91 HA VAL 91 5.533 -12.524 1.978 666 HB VAL 91 HB VAL 91 5.696 -9.881 3.419 667 HG11 VAL 91 1HG1 VAL 91 5.683 -12.704 4.526 668 HG12 VAL 91 2HG1 VAL 91 5.462 -11.176 5.413 669 HG13 VAL 91 3HG1 VAL 91 4.209 -11.737 4.280 670 HG21 VAL 91 1HG2 VAL 91 7.784 -12.079 3.522 671 HG22 VAL 91 2HG2 VAL 91 7.955 -10.585 2.571 672 HG23 VAL 91 3HG2 VAL 91 7.823 -10.501 4.344 673 H ASN 92 H ASN 92 3.287 -12.618 2.644 674 HA ASN 92 HA ASN 92 1.673 -11.048 0.882 675 HB2 ASN 92 1HB ASN 92 1.261 -13.450 2.678 676 HB3 ASN 92 2HB ASN 92 -0.156 -12.530 2.211 677 HD21 ASN 92 1HD2 ASN 92 2.833 -13.852 0.795 678 HD22 ASN 92 2HD2 ASN 92 2.138 -14.439 -0.679 679 H LEU 93 H LEU 93 0.960 -9.033 1.599 680 HA LEU 93 HA LEU 93 1.196 -8.083 4.152 681 HB2 LEU 93 1HB LEU 93 -0.602 -7.332 1.860 682 HB3 LEU 93 2HB LEU 93 -0.635 -6.456 3.377 683 HG LEU 93 HG LEU 93 1.923 -6.839 1.818 684 HD11 LEU 93 1HD1 LEU 93 -0.282 -4.847 1.381 685 HD12 LEU 93 2HD1 LEU 93 1.414 -4.392 1.085 686 HD13 LEU 93 3HD1 LEU 93 0.689 -5.752 0.194 687 HD21 LEU 93 1HD2 LEU 93 2.822 -5.837 3.580 688 HD22 LEU 93 2HD2 LEU 93 1.865 -4.385 3.200 689 HD23 LEU 93 3HD2 LEU 93 1.221 -5.606 4.323 690 H GLY 94 H GLY 94 -0.632 -7.408 5.672 691 HA2 GLY 94 1HA GLY 94 -2.871 -9.294 5.691 692 HA3 GLY 94 2HA GLY 94 -1.747 -9.352 7.034 693 H ASP 95 H ASP 95 -4.589 -8.620 7.147 694 HA ASP 95 HA ASP 95 -4.874 -5.858 7.223 695 HB2 ASP 95 1HB ASP 95 -6.906 -7.025 7.156 696 HB3 ASP 95 2HB ASP 95 -6.370 -8.238 8.302 697 H GLY 96 H GLY 96 -3.829 -4.489 8.676 698 HA2 GLY 96 1HA GLY 96 -3.587 -3.712 10.886 699 HA3 GLY 96 2HA GLY 96 -3.607 -5.362 11.477 700 H ASP 97 H ASP 97 -1.770 -4.897 8.547 701 HA ASP 97 HA ASP 97 0.616 -5.437 10.035 702 HB2 ASP 97 1HB ASP 97 0.062 -5.145 7.046 703 HB3 ASP 97 2HB ASP 97 1.632 -5.563 7.700 704 H VAL 98 H VAL 98 2.115 -3.828 10.569 705 HA VAL 98 HA VAL 98 1.646 -1.176 9.446 706 HB VAL 98 HB VAL 98 2.943 -2.270 11.916 707 HG11 VAL 98 1HG1 VAL 98 4.627 -0.791 11.701 708 HG12 VAL 98 2HG1 VAL 98 3.795 0.121 10.419 709 HG13 VAL 98 3HG1 VAL 98 3.402 0.428 12.128 710 HG21 VAL 98 1HG2 VAL 98 1.537 -0.313 12.867 711 HG22 VAL 98 2HG2 VAL 98 0.748 -0.304 11.272 712 HG23 VAL 98 3HG2 VAL 98 0.689 -1.766 12.285 713 H ILE 99 H ILE 99 2.942 -0.364 7.880 714 HA ILE 99 HA ILE 99 5.427 -1.827 7.362 715 HB ILE 99 HB ILE 99 3.859 -0.011 5.530 716 HG12 ILE 99 1HG1 ILE 99 3.935 -3.035 5.465 717 HG13 ILE 99 2HG1 ILE 99 2.668 -2.133 6.272 718 HG21 ILE 99 1HG2 ILE 99 5.319 -0.582 3.828 719 HG22 ILE 99 2HG2 ILE 99 6.410 -0.413 5.224 720 HG23 ILE 99 3HG2 ILE 99 5.913 -2.031 4.675 721 HD11 ILE 99 1HD1 ILE 99 2.878 -0.884 3.758 722 HD12 ILE 99 2HD1 ILE 99 3.061 -2.620 3.409 723 HD13 ILE 99 3HD1 ILE 99 1.615 -2.031 4.265 724 H LYS 100 H LYS 100 7.111 -0.908 8.424 725 HA LYS 100 HA LYS 100 7.115 2.000 8.673 726 HB2 LYS 100 1HB LYS 100 8.223 -0.265 10.228 727 HB3 LYS 100 2HB LYS 100 9.268 1.136 10.104 728 HG2 LYS 100 1HG LYS 100 7.676 2.579 11.132 729 HG3 LYS 100 2HG LYS 100 6.337 1.498 10.800 730 HD2 LYS 100 1HD LYS 100 8.597 1.005 12.795 731 HD3 LYS 100 2HD LYS 100 6.936 1.399 13.192 732 HE2 LYS 100 1HE LYS 100 6.627 -0.818 11.528 733 HE3 LYS 100 2HE LYS 100 8.113 -1.200 12.375 734 HZ1 LYS 100 1HZ LYS 100 6.977 -1.568 14.212 735 HZ2 LYS 100 2HZ LYS 100 6.174 -0.149 14.133 736 HZ3 LYS 100 3HZ LYS 100 5.595 -1.459 13.349 737 H LEU 101 H LEU 101 7.916 2.982 6.878 738 HA LEU 101 HA LEU 101 10.471 1.929 5.887 739 HB2 LEU 101 1HB LEU 101 9.845 2.364 3.648 740 HB3 LEU 101 2HB LEU 101 8.606 1.361 4.375 741 HG LEU 101 HG LEU 101 8.142 4.304 4.417 742 HD11 LEU 101 1HD1 LEU 101 9.116 3.687 2.127 743 HD12 LEU 101 2HD1 LEU 101 7.607 2.777 1.872 744 HD13 LEU 101 3HD1 LEU 101 7.550 4.532 2.164 745 HD21 LEU 101 1HD2 LEU 101 6.199 3.502 5.140 746 HD22 LEU 101 2HD2 LEU 101 5.896 2.955 3.473 747 HD23 LEU 101 3HD2 LEU 101 6.620 1.841 4.657 748 H GLY 102 H GLY 102 11.802 3.647 4.772 749 HA2 GLY 102 1HA GLY 102 12.687 5.722 4.652 750 HA3 GLY 102 2HA GLY 102 11.168 6.393 5.213 751 H GLU 103 H GLU 103 11.616 7.693 6.949 752 HA GLU 103 HA GLU 103 13.555 6.680 8.860 753 HB2 GLU 103 1HB GLU 103 12.382 9.486 8.634 754 HB3 GLU 103 2HB GLU 103 13.716 9.000 9.662 755 HG2 GLU 103 1HG GLU 103 14.761 8.146 7.343 756 HG3 GLU 103 2HG GLU 103 13.650 9.315 6.658 757 H TYR 104 H TYR 104 10.459 8.604 8.919 758 HA TYR 104 HA TYR 104 9.612 6.908 11.163 759 HB2 TYR 104 1HB TYR 104 9.558 9.955 10.731 760 HB3 TYR 104 2HB TYR 104 8.574 9.187 11.962 761 HD1 TYR 104 HD2 TYR 104 9.727 7.918 13.842 762 HD2 TYR 104 HD1 TYR 104 11.852 10.443 11.119 763 HE1 TYR 104 HE2 TYR 104 11.677 8.044 15.469 764 HE2 TYR 104 HE1 TYR 104 13.794 10.561 12.756 765 HH TYR 104 HH TYR 104 14.537 8.691 14.804 766 H THR 105 H THR 105 8.848 6.253 8.604 767 HA THR 105 HA THR 105 6.113 7.344 8.452 768 HB THR 105 HB THR 105 8.104 6.481 6.300 769 HG1 THR 105 HG1 THR 105 8.038 8.712 7.196 770 HG21 THR 105 1HG2 THR 105 6.327 5.898 4.981 771 HG22 THR 105 2HG2 THR 105 5.172 6.344 6.260 772 HG23 THR 105 3HG2 THR 105 5.765 7.581 5.125 773 H SER 106 H SER 106 4.573 5.974 9.064 774 HA SER 106 HA SER 106 5.165 3.145 8.666 775 HB2 SER 106 1HB SER 106 3.538 4.421 10.911 776 HB3 SER 106 2HB SER 106 3.758 2.697 10.684 777 HG SER 106 HG SER 106 5.448 4.535 11.866 778 H ILE 107 H ILE 107 3.589 1.936 7.589 779 HA ILE 107 HA ILE 107 1.091 3.364 6.992 780 HB ILE 107 HB ILE 107 2.573 1.489 5.151 781 HG12 ILE 107 1HG1 ILE 107 2.527 4.520 5.193 782 HG13 ILE 107 2HG1 ILE 107 3.916 3.489 5.477 783 HG21 ILE 107 1HG2 ILE 107 0.533 1.370 4.228 784 HG22 ILE 107 2HG2 ILE 107 -0.060 2.805 5.097 785 HG23 ILE 107 3HG2 ILE 107 0.902 2.998 3.612 786 HD11 ILE 107 1HD1 ILE 107 4.212 4.004 3.219 787 HD12 ILE 107 2HD1 ILE 107 3.290 2.486 3.089 788 HD13 ILE 107 3HD1 ILE 107 2.462 4.050 2.894 789 H LEU 108 H LEU 108 -0.748 2.332 7.590 790 HA LEU 108 HA LEU 108 -0.424 -0.382 8.608 791 HB2 LEU 108 1HB LEU 108 -1.388 0.834 10.269 792 HB3 LEU 108 2HB LEU 108 -2.226 1.910 9.168 793 HG LEU 108 HG LEU 108 -3.853 0.108 8.660 794 HD11 LEU 108 1HD1 LEU 108 -1.923 -1.503 10.107 795 HD12 LEU 108 2HD1 LEU 108 -3.558 -1.670 10.792 796 HD13 LEU 108 3HD1 LEU 108 -3.278 -2.000 9.065 797 HD21 LEU 108 1HD2 LEU 108 -4.135 0.141 11.559 798 HD22 LEU 108 2HD2 LEU 108 -3.706 1.739 10.903 799 HD23 LEU 108 3HD2 LEU 108 -5.146 0.886 10.297 800 H VAL 109 H VAL 109 -1.488 -2.151 7.751 801 HA VAL 109 HA VAL 109 -2.813 -1.630 5.195 802 HB VAL 109 HB VAL 109 -1.494 -4.075 6.381 803 HG11 VAL 109 1HG1 VAL 109 -3.650 -4.159 4.679 804 HG12 VAL 109 2HG1 VAL 109 -2.278 -4.182 3.545 805 HG13 VAL 109 3HG1 VAL 109 -2.400 -5.419 4.820 806 HG21 VAL 109 1HG2 VAL 109 -0.750 -2.089 4.239 807 HG22 VAL 109 2HG2 VAL 109 0.216 -2.690 5.609 808 HG23 VAL 109 3HG2 VAL 109 -0.099 -3.746 4.211 809 H ASN 110 H ASN 110 -4.993 -1.736 5.094 810 HA ASN 110 HA ASN 110 -6.281 -3.416 7.095 811 HB2 ASN 110 1HB ASN 110 -6.596 -0.542 6.594 812 HB3 ASN 110 2HB ASN 110 -8.120 -1.367 6.336 813 HD21 ASN 110 1HD2 ASN 110 -5.400 -2.007 8.539 814 HD22 ASN 110 2HD2 ASN 110 -6.294 -1.937 10.022 815 H PHE 111 H PHE 111 -7.565 -4.978 6.089 816 HA PHE 111 HA PHE 111 -7.963 -4.778 3.248 817 HB2 PHE 111 1HB PHE 111 -8.607 -6.777 5.488 818 HB3 PHE 111 2HB PHE 111 -9.115 -7.075 3.838 819 HD1 PHE 111 HD1 PHE 111 -6.687 -6.018 2.403 820 HD2 PHE 111 HD2 PHE 111 -7.060 -8.507 5.819 821 HE1 PHE 111 HE1 PHE 111 -4.452 -7.043 1.900 822 HE2 PHE 111 HE2 PHE 111 -4.824 -9.533 5.316 823 HZ PHE 111 HZ PHE 111 -3.547 -8.788 3.362 824 H VAL 112 H VAL 112 -9.639 -3.605 2.440 825 HA VAL 112 HA VAL 112 -12.029 -3.327 4.073 826 HB VAL 112 HB VAL 112 -12.642 -1.667 2.320 827 HG11 VAL 112 1HG1 VAL 112 -9.996 -1.336 3.767 828 HG12 VAL 112 2HG1 VAL 112 -10.866 -0.003 2.971 829 HG13 VAL 112 3HG1 VAL 112 -11.617 -0.866 4.335 830 HG21 VAL 112 1HG2 VAL 112 -9.858 -1.617 1.273 831 HG22 VAL 112 2HG2 VAL 112 -10.907 -2.932 0.689 832 HG23 VAL 112 3HG2 VAL 112 -11.399 -1.236 0.467 833 H SER 113 H SER 113 -13.898 -4.428 3.695 834 HA SER 113 HA SER 113 -13.818 -6.330 1.548 835 HB2 SER 113 1HB SER 113 -15.007 -6.190 4.153 836 HB3 SER 113 2HB SER 113 -16.321 -6.347 3.004 837 HG SER 113 HG SER 113 -14.012 -8.085 3.221 838 H GLY 114 H GLY 114 -14.235 -5.294 -0.421 839 HA2 GLY 114 1HA GLY 114 -15.387 -4.209 -2.016 840 HA3 GLY 114 2HA GLY 114 -16.835 -4.704 -1.162 841 HA PRO 115 HA PRO 115 -16.685 -0.185 -0.893 842 HB2 PRO 115 1HB PRO 115 -19.195 0.316 -1.852 843 HB3 PRO 115 2HB PRO 115 -17.763 0.324 -2.862 844 HG2 PRO 115 1HG PRO 115 -19.885 -1.725 -2.671 845 HG3 PRO 115 2HG PRO 115 -18.703 -1.485 -3.942 846 HD2 PRO 115 1HD PRO 115 -18.642 -3.497 -1.898 847 HD3 PRO 115 2HD PRO 115 -17.403 -3.183 -3.098 848 H SER 116 H SER 116 -19.389 -2.290 -0.109 849 HA SER 116 HA SER 116 -19.266 -1.298 2.557 850 HB2 SER 116 1HB SER 116 -21.799 -0.863 0.912 851 HB3 SER 116 2HB SER 116 -21.664 -0.601 2.640 852 HG SER 116 HG SER 116 -20.167 0.793 0.585 853 H SER 117 H SER 117 -19.560 -3.085 3.842 854 HA SER 117 HA SER 117 -20.557 -5.450 2.612 855 HB2 SER 117 1HB SER 117 -19.293 -4.735 5.252 856 HB3 SER 117 2HB SER 117 -20.187 -6.239 5.151 857 HG SER 117 HG SER 117 -18.773 -7.039 3.618 858 H GLY 118 H GLY 118 -22.731 -5.862 2.470 859 HA2 GLY 118 1HA GLY 118 -24.568 -4.510 4.272 860 HA3 GLY 118 2HA GLY 118 -24.960 -5.467 2.857 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -31.547 0.227 -9.411 2 HA2 GLY 1 1HA GLY 1 -31.645 -2.465 -9.996 3 HA3 GLY 1 2HA GLY 1 -30.245 -1.606 -9.383 4 H SER 2 H SER 2 -31.798 -4.346 -8.831 5 HA SER 2 HA SER 2 -31.878 -4.009 -5.940 6 HB2 SER 2 1HB SER 2 -33.373 -5.720 -7.881 7 HB3 SER 2 2HB SER 2 -32.954 -6.491 -6.364 8 HG SER 2 HG SER 2 -34.462 -4.046 -6.725 9 H SER 3 H SER 3 -30.892 -5.754 -4.603 10 HA SER 3 HA SER 3 -29.267 -7.078 -4.045 11 HB2 SER 3 1HB SER 3 -29.788 -8.058 -6.853 12 HB3 SER 3 2HB SER 3 -28.397 -8.687 -5.992 13 HG SER 3 HG SER 3 -31.048 -9.331 -5.693 14 H GLY 4 H GLY 4 -26.844 -7.510 -4.323 15 HA2 GLY 4 1HA GLY 4 -25.362 -6.145 -6.316 16 HA3 GLY 4 2HA GLY 4 -25.459 -5.165 -4.866 17 H SER 5 H SER 5 -24.073 -5.586 -3.173 18 HA SER 5 HA SER 5 -22.104 -7.551 -3.596 19 HB2 SER 5 1HB SER 5 -22.110 -5.203 -2.283 20 HB3 SER 5 2HB SER 5 -22.466 -6.236 -0.912 21 HG SER 5 HG SER 5 -20.078 -5.877 -2.272 22 H SER 6 H SER 6 -21.604 -9.397 -2.177 23 HA SER 6 HA SER 6 -23.645 -10.156 -0.317 24 HB2 SER 6 1HB SER 6 -23.863 -11.076 -2.957 25 HB3 SER 6 2HB SER 6 -23.074 -12.406 -2.133 26 HG SER 6 HG SER 6 -25.349 -11.167 -0.905 27 H GLY 7 H GLY 7 -20.805 -11.364 -2.250 28 HA2 GLY 7 1HA GLY 7 -19.618 -12.302 0.295 29 HA3 GLY 7 2HA GLY 7 -19.479 -13.168 -1.222 30 H MET 8 H MET 8 -17.125 -13.014 -1.031 31 HA MET 8 HA MET 8 -16.152 -10.760 -2.407 32 HB2 MET 8 1HB MET 8 -14.604 -9.943 -0.631 33 HB3 MET 8 2HB MET 8 -16.264 -9.809 -0.087 34 HG2 MET 8 1HG MET 8 -16.064 -11.598 1.433 35 HG3 MET 8 2HG MET 8 -14.767 -12.360 0.534 36 HE1 MET 8 1HE MET 8 -11.997 -11.879 1.523 37 HE2 MET 8 2HE MET 8 -12.474 -11.878 3.238 38 HE3 MET 8 3HE MET 8 -13.364 -12.880 2.067 39 H VAL 9 H VAL 9 -13.584 -10.917 -2.512 40 HA VAL 9 HA VAL 9 -12.669 -13.639 -2.097 41 HB VAL 9 HB VAL 9 -11.794 -13.578 -4.513 42 HG11 VAL 9 1HG1 VAL 9 -14.781 -13.912 -4.411 43 HG12 VAL 9 2HG1 VAL 9 -13.550 -14.929 -5.198 44 HG13 VAL 9 3HG1 VAL 9 -13.735 -14.965 -3.428 45 HG21 VAL 9 1HG2 VAL 9 -12.250 -11.409 -5.270 46 HG22 VAL 9 2HG2 VAL 9 -13.519 -12.396 -6.035 47 HG23 VAL 9 3HG2 VAL 9 -13.899 -11.416 -4.598 48 H THR 10 H THR 10 -11.952 -10.371 -3.503 49 HA THR 10 HA THR 10 -9.390 -10.485 -2.058 50 HB THR 10 HB THR 10 -9.845 -9.239 -4.814 51 HG1 THR 10 HG1 THR 10 -9.823 -11.385 -5.369 52 HG21 THR 10 1HG2 THR 10 -7.467 -9.149 -4.951 53 HG22 THR 10 2HG2 THR 10 -7.785 -8.643 -3.275 54 HG23 THR 10 3HG2 THR 10 -7.260 -10.309 -3.617 55 HA PRO 11 HA PRO 11 -11.148 -6.859 -0.413 56 HB2 PRO 11 1HB PRO 11 -9.382 -6.559 1.650 57 HB3 PRO 11 2HB PRO 11 -10.819 -7.556 1.757 58 HG2 PRO 11 1HG PRO 11 -7.999 -8.394 1.460 59 HG3 PRO 11 2HG PRO 11 -9.376 -9.341 1.987 60 HD2 PRO 11 1HD PRO 11 -8.118 -9.428 -0.589 61 HD3 PRO 11 2HD PRO 11 -9.564 -10.288 -0.099 62 H SER 12 H SER 12 -10.731 -4.595 -0.254 63 HA SER 12 HA SER 12 -8.825 -3.884 -2.210 64 HB2 SER 12 1HB SER 12 -10.800 -2.428 -0.462 65 HB3 SER 12 2HB SER 12 -9.525 -1.489 -1.214 66 HG SER 12 HG SER 12 -11.576 -3.066 -2.487 67 H LEU 13 H LEU 13 -6.891 -2.586 -1.918 68 HA LEU 13 HA LEU 13 -5.678 -3.031 0.686 69 HB2 LEU 13 1HB LEU 13 -4.668 -3.622 -1.617 70 HB3 LEU 13 2HB LEU 13 -4.325 -1.908 -1.751 71 HG LEU 13 HG LEU 13 -2.655 -3.780 -0.670 72 HD11 LEU 13 1HD1 LEU 13 -2.102 -1.236 0.558 73 HD12 LEU 13 2HD1 LEU 13 -1.288 -2.039 -0.806 74 HD13 LEU 13 3HD1 LEU 13 -2.699 -0.995 -1.102 75 HD21 LEU 13 1HD2 LEU 13 -4.050 -4.147 1.284 76 HD22 LEU 13 2HD2 LEU 13 -2.524 -3.357 1.751 77 HD23 LEU 13 3HD2 LEU 13 -4.027 -2.407 1.658 78 H ARG 14 H ARG 14 -5.999 -1.500 2.207 79 HA ARG 14 HA ARG 14 -6.120 1.240 1.234 80 HB2 ARG 14 1HB ARG 14 -8.189 0.467 2.385 81 HB3 ARG 14 2HB ARG 14 -7.257 0.012 3.797 82 HG2 ARG 14 1HG ARG 14 -6.448 2.538 3.751 83 HG3 ARG 14 2HG ARG 14 -7.865 2.791 2.751 84 HD2 ARG 14 1HD ARG 14 -8.610 1.157 5.037 85 HD3 ARG 14 2HD ARG 14 -7.751 2.572 5.609 86 HE ARG 14 HE ARG 14 -9.668 3.345 3.598 87 HH11 ARG 14 1HH1 ARG 14 -9.462 2.306 6.954 88 HH12 ARG 14 2HH1 ARG 14 -10.925 3.107 7.425 89 HH21 ARG 14 1HH2 ARG 14 -11.597 4.401 4.218 90 HH22 ARG 14 2HH2 ARG 14 -12.147 4.306 5.858 91 H LEU 15 H LEU 15 -4.144 2.236 1.530 92 HA LEU 15 HA LEU 15 -2.467 1.350 3.726 93 HB2 LEU 15 1HB LEU 15 -1.983 3.208 1.396 94 HB3 LEU 15 2HB LEU 15 -0.796 2.852 2.636 95 HG LEU 15 HG LEU 15 -2.055 0.719 0.897 96 HD11 LEU 15 1HD1 LEU 15 -0.968 1.841 -0.759 97 HD12 LEU 15 2HD1 LEU 15 0.217 2.570 0.351 98 HD13 LEU 15 3HD1 LEU 15 0.388 0.868 -0.139 99 HD21 LEU 15 1HD2 LEU 15 0.616 0.476 2.223 100 HD22 LEU 15 2HD2 LEU 15 -0.857 0.279 3.203 101 HD23 LEU 15 3HD2 LEU 15 -0.574 -0.778 1.799 102 H VAL 16 H VAL 16 -2.653 2.275 5.688 103 HA VAL 16 HA VAL 16 -3.656 5.033 5.756 104 HB VAL 16 HB VAL 16 -3.701 2.851 7.852 105 HG11 VAL 16 1HG1 VAL 16 -5.078 5.550 7.955 106 HG12 VAL 16 2HG1 VAL 16 -4.942 4.335 9.249 107 HG13 VAL 16 3HG1 VAL 16 -3.498 5.225 8.709 108 HG21 VAL 16 1HG2 VAL 16 -5.761 2.263 7.163 109 HG22 VAL 16 2HG2 VAL 16 -6.249 3.948 6.862 110 HG23 VAL 16 3HG2 VAL 16 -5.312 3.060 5.636 111 H PHE 17 H PHE 17 -2.269 6.623 6.347 112 HA PHE 17 HA PHE 17 0.384 5.829 7.160 113 HB2 PHE 17 1HB PHE 17 -1.087 8.433 6.464 114 HB3 PHE 17 2HB PHE 17 0.577 8.456 7.014 115 HD1 PHE 17 HD1 PHE 17 2.209 6.872 5.665 116 HD2 PHE 17 HD2 PHE 17 -1.498 8.320 4.192 117 HE1 PHE 17 HE1 PHE 17 2.993 6.485 3.312 118 HE2 PHE 17 HE2 PHE 17 -0.714 7.933 1.839 119 HZ PHE 17 HZ PHE 17 1.522 7.020 1.427 120 H VAL 18 H VAL 18 0.144 5.060 9.317 121 HA VAL 18 HA VAL 18 -1.198 6.692 11.249 122 HB VAL 18 HB VAL 18 -0.196 4.959 12.813 123 HG11 VAL 18 1HG1 VAL 18 -1.807 3.254 12.168 124 HG12 VAL 18 2HG1 VAL 18 -2.505 4.871 11.911 125 HG13 VAL 18 3HG1 VAL 18 -1.907 3.929 10.524 126 HG21 VAL 18 1HG2 VAL 18 1.428 4.397 10.610 127 HG22 VAL 18 2HG2 VAL 18 1.277 3.435 12.100 128 HG23 VAL 18 3HG2 VAL 18 0.283 3.036 10.678 129 H LYS 19 H LYS 19 2.091 6.252 9.994 130 HA LYS 19 HA LYS 19 2.933 8.400 11.795 131 HB2 LYS 19 1HB LYS 19 4.504 5.869 11.223 132 HB3 LYS 19 2HB LYS 19 5.119 7.268 12.079 133 HG2 LYS 19 1HG LYS 19 2.518 6.236 13.110 134 HG3 LYS 19 2HG LYS 19 3.861 5.123 13.284 135 HD2 LYS 19 1HD LYS 19 4.859 7.695 14.039 136 HD3 LYS 19 2HD LYS 19 3.288 7.540 14.800 137 HE2 LYS 19 1HE LYS 19 4.098 6.061 16.321 138 HE3 LYS 19 2HE LYS 19 4.718 5.020 15.055 139 HZ1 LYS 19 1HZ LYS 19 6.706 6.220 15.001 140 HZ2 LYS 19 2HZ LYS 19 6.117 7.456 15.890 141 HZ3 LYS 19 3HZ LYS 19 6.391 6.006 16.589 142 H GLY 20 H GLY 20 5.525 8.740 10.817 143 HA2 GLY 20 1HA GLY 20 6.742 9.399 9.013 144 HA3 GLY 20 2HA GLY 20 5.508 8.773 7.938 145 HA PRO 21 HA PRO 21 5.168 13.314 7.905 146 HB2 PRO 21 1HB PRO 21 5.563 13.713 5.230 147 HB3 PRO 21 2HB PRO 21 6.846 13.834 6.417 148 HG2 PRO 21 1HG PRO 21 6.314 11.668 4.477 149 HG3 PRO 21 2HG PRO 21 7.789 12.016 5.356 150 HD2 PRO 21 1HD PRO 21 5.898 9.939 5.933 151 HD3 PRO 21 2HD PRO 21 7.312 10.361 6.878 152 H ARG 22 H ARG 22 3.765 10.764 6.076 153 HA ARG 22 HA ARG 22 1.589 12.450 5.296 154 HB2 ARG 22 1HB ARG 22 2.023 9.435 4.986 155 HB3 ARG 22 2HB ARG 22 0.694 10.322 4.266 156 HG2 ARG 22 1HG ARG 22 3.022 11.770 3.526 157 HG3 ARG 22 2HG ARG 22 3.466 10.083 3.351 158 HD2 ARG 22 1HD ARG 22 2.512 10.718 1.238 159 HD3 ARG 22 2HD ARG 22 1.286 9.750 2.032 160 HE ARG 22 HE ARG 22 1.075 12.641 2.550 161 HH11 ARG 22 1HH1 ARG 22 0.077 9.959 0.503 162 HH12 ARG 22 2HH1 ARG 22 -1.345 10.762 -0.075 163 HH21 ARG 22 1HH2 ARG 22 -0.801 13.701 1.789 164 HH22 ARG 22 2HH2 ARG 22 -1.847 12.905 0.661 165 H GLU 23 H GLU 23 2.498 11.088 8.169 166 HA GLU 23 HA GLU 23 0.611 9.517 9.144 167 HB2 GLU 23 1HB GLU 23 2.406 10.223 10.563 168 HB3 GLU 23 2HB GLU 23 1.972 11.914 10.419 169 HG2 GLU 23 1HG GLU 23 -0.129 11.516 11.675 170 HG3 GLU 23 2HG GLU 23 0.217 9.800 11.755 171 H GLY 24 H GLY 24 -1.589 9.522 9.054 172 HA2 GLY 24 1HA GLY 24 -3.594 10.553 9.875 173 HA3 GLY 24 2HA GLY 24 -2.961 12.116 9.401 174 H ASP 25 H ASP 25 -1.908 10.114 6.969 175 HA ASP 25 HA ASP 25 -4.219 10.827 5.369 176 HB2 ASP 25 1HB ASP 25 -1.301 10.284 4.809 177 HB3 ASP 25 2HB ASP 25 -2.451 10.005 3.517 178 H ALA 26 H ALA 26 -4.979 9.160 3.732 179 HA ALA 26 HA ALA 26 -4.090 6.450 4.125 180 HB1 ALA 26 1HB ALA 26 -6.015 5.574 5.100 181 HB2 ALA 26 2HB ALA 26 -5.876 7.134 5.946 182 HB3 ALA 26 3HB ALA 26 -7.024 6.952 4.597 183 H LEU 27 H LEU 27 -4.851 5.044 2.414 184 HA LEU 27 HA LEU 27 -6.383 6.385 0.325 185 HB2 LEU 27 1HB LEU 27 -3.751 4.996 -0.187 186 HB3 LEU 27 2HB LEU 27 -4.806 5.717 -1.386 187 HG LEU 27 HG LEU 27 -3.720 7.435 0.823 188 HD11 LEU 27 1HD1 LEU 27 -2.078 5.981 -1.044 189 HD12 LEU 27 2HD1 LEU 27 -1.974 7.728 -1.367 190 HD13 LEU 27 3HD1 LEU 27 -1.602 7.100 0.256 191 HD21 LEU 27 1HD2 LEU 27 -5.367 7.890 -1.364 192 HD22 LEU 27 2HD2 LEU 27 -4.528 9.118 -0.387 193 HD23 LEU 27 3HD2 LEU 27 -3.781 8.508 -1.883 194 H ASP 28 H ASP 28 -6.968 4.687 -1.448 195 HA ASP 28 HA ASP 28 -7.089 2.033 -0.337 196 HB2 ASP 28 1HB ASP 28 -9.519 1.851 -0.649 197 HB3 ASP 28 2HB ASP 28 -9.162 3.154 0.467 198 H TYR 29 H TYR 29 -7.301 0.433 -2.042 199 HA TYR 29 HA TYR 29 -7.715 1.456 -4.746 200 HB2 TYR 29 1HB TYR 29 -5.383 -0.237 -3.652 201 HB3 TYR 29 2HB TYR 29 -5.647 0.041 -5.362 202 HD1 TYR 29 HD1 TYR 29 -4.918 1.795 -2.152 203 HD2 TYR 29 HD2 TYR 29 -4.786 1.970 -6.424 204 HE1 TYR 29 HE1 TYR 29 -3.526 3.919 -2.029 205 HE2 TYR 29 HE2 TYR 29 -3.395 4.093 -6.288 206 HH TYR 29 HH TYR 29 -3.261 6.021 -4.125 207 H LYS 30 H LYS 30 -8.022 -0.368 -6.343 208 HA LYS 30 HA LYS 30 -9.676 -2.370 -5.090 209 HB2 LYS 30 1HB LYS 30 -9.328 -1.214 -7.792 210 HB3 LYS 30 2HB LYS 30 -9.741 -2.916 -7.762 211 HG2 LYS 30 1HG LYS 30 -11.896 -2.208 -7.515 212 HG3 LYS 30 2HG LYS 30 -11.466 -1.919 -5.841 213 HD2 LYS 30 1HD LYS 30 -10.732 0.431 -6.512 214 HD3 LYS 30 2HD LYS 30 -11.367 0.117 -8.114 215 HE2 LYS 30 1HE LYS 30 -13.314 -0.570 -6.008 216 HE3 LYS 30 2HE LYS 30 -12.816 1.108 -5.914 217 HZ1 LYS 30 1HZ LYS 30 -13.244 0.431 -8.585 218 HZ2 LYS 30 2HZ LYS 30 -14.554 -0.025 -7.722 219 HZ3 LYS 30 3HZ LYS 30 -14.044 1.526 -7.673 220 HA PRO 31 HA PRO 31 -6.885 -5.648 -5.407 221 HB2 PRO 31 1HB PRO 31 -8.412 -7.780 -6.176 222 HB3 PRO 31 2HB PRO 31 -8.379 -7.167 -4.534 223 HG2 PRO 31 1HG PRO 31 -10.481 -6.852 -6.589 224 HG3 PRO 31 2HG PRO 31 -10.599 -6.628 -4.855 225 HD2 PRO 31 1HD PRO 31 -10.432 -4.568 -6.844 226 HD3 PRO 31 2HD PRO 31 -10.433 -4.349 -5.105 227 H GLY 32 H GLY 32 -5.204 -6.206 -6.653 228 HA2 GLY 32 1HA GLY 32 -4.320 -7.122 -8.599 229 HA3 GLY 32 2HA GLY 32 -5.812 -6.791 -9.457 230 H SER 33 H SER 33 -4.618 -4.224 -7.384 231 HA SER 33 HA SER 33 -3.634 -2.880 -9.780 232 HB2 SER 33 1HB SER 33 -5.291 -1.883 -7.451 233 HB3 SER 33 2HB SER 33 -4.281 -0.757 -8.336 234 HG SER 33 HG SER 33 -5.909 -2.475 -9.903 235 H THR 34 H THR 34 -1.425 -2.710 -9.693 236 HA THR 34 HA THR 34 0.002 -3.027 -7.265 237 HB THR 34 HB THR 34 0.902 -1.991 -10.005 238 HG1 THR 34 HG1 THR 34 1.298 -4.361 -10.228 239 HG21 THR 34 1HG2 THR 34 2.361 -3.460 -7.744 240 HG22 THR 34 2HG2 THR 34 3.044 -3.136 -9.356 241 HG23 THR 34 3HG2 THR 34 2.667 -1.784 -8.261 242 H ILE 35 H ILE 35 0.783 -1.609 -5.802 243 HA ILE 35 HA ILE 35 0.314 1.225 -6.425 244 HB ILE 35 HB ILE 35 0.072 -0.232 -3.791 245 HG12 ILE 35 1HG1 ILE 35 -2.251 1.266 -4.573 246 HG13 ILE 35 2HG1 ILE 35 -1.793 0.210 -5.894 247 HG21 ILE 35 1HG2 ILE 35 -0.761 2.598 -3.999 248 HG22 ILE 35 2HG2 ILE 35 0.020 1.717 -2.664 249 HG23 ILE 35 3HG2 ILE 35 0.993 2.302 -4.035 250 HD11 ILE 35 1HD1 ILE 35 -1.548 -1.649 -4.072 251 HD12 ILE 35 2HD1 ILE 35 -2.482 -0.542 -3.036 252 HD13 ILE 35 3HD1 ILE 35 -3.189 -1.154 -4.551 253 H ARG 36 H ARG 36 2.350 1.748 -7.220 254 HA ARG 36 HA ARG 36 4.658 0.781 -5.921 255 HB2 ARG 36 1HB ARG 36 4.299 3.029 -7.968 256 HB3 ARG 36 2HB ARG 36 5.850 2.368 -7.489 257 HG2 ARG 36 1HG ARG 36 5.511 0.358 -8.619 258 HG3 ARG 36 2HG ARG 36 3.773 0.397 -8.400 259 HD2 ARG 36 1HD ARG 36 5.340 2.201 -10.309 260 HD3 ARG 36 2HD ARG 36 4.430 0.781 -10.786 261 HE ARG 36 HE ARG 36 2.680 2.477 -9.303 262 HH11 ARG 36 1HH1 ARG 36 4.394 2.442 -12.375 263 HH12 ARG 36 2HH1 ARG 36 3.242 3.457 -13.176 264 HH21 ARG 36 1HH2 ARG 36 1.158 3.816 -10.359 265 HH22 ARG 36 2HH2 ARG 36 1.388 4.244 -12.021 266 H VAL 37 H VAL 37 5.148 1.507 -3.861 267 HA VAL 37 HA VAL 37 4.514 4.271 -3.198 268 HB VAL 37 HB VAL 37 5.437 1.924 -1.528 269 HG11 VAL 37 1HG1 VAL 37 4.295 4.487 -0.426 270 HG12 VAL 37 2HG1 VAL 37 5.257 3.234 0.394 271 HG13 VAL 37 3HG1 VAL 37 6.036 4.336 -0.766 272 HG21 VAL 37 1HG2 VAL 37 2.727 3.139 -2.080 273 HG22 VAL 37 2HG2 VAL 37 3.238 1.438 -2.193 274 HG23 VAL 37 3HG2 VAL 37 3.047 2.206 -0.599 275 H GLY 38 H GLY 38 6.022 5.837 -3.390 276 HA2 GLY 38 1HA GLY 38 8.838 5.106 -2.958 277 HA3 GLY 38 2HA GLY 38 8.376 5.896 -4.452 278 H ARG 39 H ARG 39 9.616 7.799 -3.993 279 HA ARG 39 HA ARG 39 8.687 9.276 -1.675 280 HB2 ARG 39 1HB ARG 39 11.091 9.071 -1.676 281 HB3 ARG 39 2HB ARG 39 11.204 9.446 -3.384 282 HG2 ARG 39 1HG ARG 39 10.679 11.763 -3.031 283 HG3 ARG 39 2HG ARG 39 10.072 11.467 -1.414 284 HD2 ARG 39 1HD ARG 39 12.149 11.669 -0.498 285 HD3 ARG 39 2HD ARG 39 12.844 10.546 -1.650 286 HE ARG 39 HE ARG 39 12.861 13.461 -1.834 287 HH11 ARG 39 1HH1 ARG 39 13.020 10.480 -3.697 288 HH12 ARG 39 2HH1 ARG 39 13.849 11.208 -5.032 289 HH21 ARG 39 1HH2 ARG 39 13.955 14.422 -3.595 290 HH22 ARG 39 2HH2 ARG 39 14.385 13.465 -4.974 291 H ILE 40 H ILE 40 8.638 9.107 -5.169 292 HA ILE 40 HA ILE 40 7.658 11.868 -5.315 293 HB ILE 40 HB ILE 40 8.120 11.675 -7.729 294 HG12 ILE 40 1HG1 ILE 40 9.630 9.129 -7.141 295 HG13 ILE 40 2HG1 ILE 40 7.955 9.096 -7.657 296 HG21 ILE 40 1HG2 ILE 40 10.282 11.396 -5.668 297 HG22 ILE 40 2HG2 ILE 40 10.705 11.492 -7.394 298 HG23 ILE 40 3HG2 ILE 40 9.793 12.814 -6.626 299 HD11 ILE 40 1HD1 ILE 40 10.300 10.339 -9.162 300 HD12 ILE 40 2HD1 ILE 40 9.361 8.903 -9.634 301 HD13 ILE 40 3HD1 ILE 40 8.599 10.511 -9.660 302 H VAL 41 H VAL 41 5.729 12.276 -6.638 303 HA VAL 41 HA VAL 41 3.847 10.081 -6.312 304 HB VAL 41 HB VAL 41 2.231 11.972 -6.958 305 HG11 VAL 41 1HG1 VAL 41 2.651 11.021 -4.653 306 HG12 VAL 41 2HG1 VAL 41 3.792 12.362 -4.388 307 HG13 VAL 41 3HG1 VAL 41 2.071 12.703 -4.689 308 HG21 VAL 41 1HG2 VAL 41 4.283 13.902 -5.991 309 HG22 VAL 41 2HG2 VAL 41 4.426 13.351 -7.678 310 HG23 VAL 41 3HG2 VAL 41 2.927 14.134 -7.121 311 H ARG 42 H ARG 42 5.483 12.069 -8.784 312 HA ARG 42 HA ARG 42 3.997 11.725 -10.939 313 HB2 ARG 42 1HB ARG 42 6.993 11.596 -10.522 314 HB3 ARG 42 2HB ARG 42 6.365 11.294 -12.129 315 HG2 ARG 42 1HG ARG 42 6.237 13.535 -12.441 316 HG3 ARG 42 2HG ARG 42 4.959 13.586 -11.243 317 HD2 ARG 42 1HD ARG 42 6.340 14.860 -9.961 318 HD3 ARG 42 2HD ARG 42 7.305 13.422 -9.693 319 HE ARG 42 HE ARG 42 8.127 14.426 -12.192 320 HH11 ARG 42 1HH1 ARG 42 8.070 15.563 -8.863 321 HH12 ARG 42 2HH1 ARG 42 9.455 16.586 -9.054 322 HH21 ARG 42 1HH2 ARG 42 9.954 15.774 -12.445 323 HH22 ARG 42 2HH2 ARG 42 10.534 16.707 -11.105 324 H GLY 43 H GLY 43 6.848 9.532 -10.821 325 HA2 GLY 43 1HA GLY 43 5.267 7.407 -12.011 326 HA3 GLY 43 2HA GLY 43 7.003 7.453 -11.779 327 H ASN 44 H ASN 44 3.920 7.333 -9.860 328 HA ASN 44 HA ASN 44 4.604 5.015 -8.562 329 HB2 ASN 44 1HB ASN 44 5.689 7.495 -7.320 330 HB3 ASN 44 2HB ASN 44 4.738 6.525 -6.212 331 HD21 ASN 44 1HD2 ASN 44 7.738 7.028 -7.509 332 HD22 ASN 44 2HD2 ASN 44 8.510 5.519 -7.150 333 H GLU 45 H GLU 45 2.759 4.324 -7.296 334 HA GLU 45 HA GLU 45 0.422 5.809 -7.757 335 HB2 GLU 45 1HB GLU 45 1.025 3.162 -7.192 336 HB3 GLU 45 2HB GLU 45 0.283 3.685 -5.693 337 HG2 GLU 45 1HG GLU 45 -1.515 2.889 -7.078 338 HG3 GLU 45 2HG GLU 45 -1.645 4.636 -7.077 339 H ILE 46 H ILE 46 2.679 5.435 -5.022 340 HA ILE 46 HA ILE 46 1.242 7.584 -3.673 341 HB ILE 46 HB ILE 46 2.060 5.003 -2.333 342 HG12 ILE 46 1HG1 ILE 46 -0.727 6.114 -2.757 343 HG13 ILE 46 2HG1 ILE 46 0.002 4.896 -3.785 344 HG21 ILE 46 1HG2 ILE 46 0.695 7.442 -1.162 345 HG22 ILE 46 2HG2 ILE 46 1.125 5.941 -0.308 346 HG23 ILE 46 3HG2 ILE 46 2.406 7.008 -0.931 347 HD11 ILE 46 1HD1 ILE 46 -0.586 4.670 -0.802 348 HD12 ILE 46 2HD1 ILE 46 -1.316 3.731 -2.126 349 HD13 ILE 46 3HD1 ILE 46 0.393 3.481 -1.696 350 H ALA 47 H ALA 47 2.596 8.972 -2.464 351 HA ALA 47 HA ALA 47 5.449 8.308 -2.560 352 HB1 ALA 47 1HB ALA 47 4.656 11.140 -3.058 353 HB2 ALA 47 2HB ALA 47 6.006 10.195 -3.729 354 HB3 ALA 47 3HB ALA 47 4.364 9.989 -4.384 355 H ILE 48 H ILE 48 6.700 9.278 -0.855 356 HA ILE 48 HA ILE 48 5.114 10.645 1.186 357 HB ILE 48 HB ILE 48 6.833 8.201 1.602 358 HG12 ILE 48 1HG1 ILE 48 4.207 8.172 2.817 359 HG13 ILE 48 2HG1 ILE 48 4.072 8.507 1.102 360 HG21 ILE 48 1HG2 ILE 48 5.447 9.587 3.861 361 HG22 ILE 48 2HG2 ILE 48 6.887 8.542 3.865 362 HG23 ILE 48 3HG2 ILE 48 7.009 10.221 3.288 363 HD11 ILE 48 1HD1 ILE 48 4.050 6.058 1.581 364 HD12 ILE 48 2HD1 ILE 48 5.436 6.519 0.563 365 HD13 ILE 48 3HD1 ILE 48 5.673 6.198 2.298 366 H LYS 49 H LYS 49 6.062 12.546 1.669 367 HA LYS 49 HA LYS 49 8.792 12.953 0.817 368 HB2 LYS 49 1HB LYS 49 6.547 14.723 1.757 369 HB3 LYS 49 2HB LYS 49 8.191 15.326 1.739 370 HG2 LYS 49 1HG LYS 49 7.102 13.926 -0.717 371 HG3 LYS 49 2HG LYS 49 6.646 15.590 -0.408 372 HD2 LYS 49 1HD LYS 49 8.682 16.367 -1.062 373 HD3 LYS 49 2HD LYS 49 9.528 15.233 -0.028 374 HE2 LYS 49 1HE LYS 49 10.138 14.063 -1.872 375 HE3 LYS 49 2HE LYS 49 8.454 13.654 -2.135 376 HZ1 LYS 49 1HZ LYS 49 8.538 14.910 -3.922 377 HZ2 LYS 49 2HZ LYS 49 8.781 16.240 -3.005 378 HZ3 LYS 49 3HZ LYS 49 10.058 15.410 -3.595 379 H ASP 50 H ASP 50 9.495 11.210 2.429 380 HA ASP 50 HA ASP 50 9.747 12.444 5.058 381 HB2 ASP 50 1HB ASP 50 8.552 10.213 4.928 382 HB3 ASP 50 2HB ASP 50 10.019 9.501 4.286 383 H ALA 51 H ALA 51 11.310 11.684 2.121 384 HA ALA 51 HA ALA 51 13.437 12.017 1.513 385 HB1 ALA 51 1HB ALA 51 14.521 11.960 4.307 386 HB2 ALA 51 2HB ALA 51 14.967 12.998 2.931 387 HB3 ALA 51 3HB ALA 51 13.477 13.327 3.849 388 H GLY 52 H GLY 52 13.294 9.976 4.523 389 HA2 GLY 52 1HA GLY 52 15.238 8.151 3.913 390 HA3 GLY 52 2HA GLY 52 13.793 7.804 4.842 391 H ILE 53 H ILE 53 12.118 8.632 2.339 392 HA ILE 53 HA ILE 53 12.214 5.978 1.156 393 HB ILE 53 HB ILE 53 10.187 8.210 1.083 394 HG12 ILE 53 1HG1 ILE 53 9.570 5.492 2.120 395 HG13 ILE 53 2HG1 ILE 53 10.657 6.466 3.090 396 HG21 ILE 53 1HG2 ILE 53 8.729 6.571 -0.109 397 HG22 ILE 53 2HG2 ILE 53 10.104 7.163 -1.071 398 HG23 ILE 53 3HG2 ILE 53 10.160 5.539 -0.344 399 HD11 ILE 53 1HD1 ILE 53 8.787 7.444 3.936 400 HD12 ILE 53 2HD1 ILE 53 8.665 8.295 2.377 401 HD13 ILE 53 3HD1 ILE 53 7.764 6.782 2.638 402 H SER 54 H SER 54 12.533 5.586 -1.062 403 HA SER 54 HA SER 54 13.727 7.866 -2.424 404 HB2 SER 54 1HB SER 54 14.889 5.468 -1.899 405 HB3 SER 54 2HB SER 54 14.142 5.073 -3.435 406 HG SER 54 HG SER 54 15.225 7.398 -3.940 407 H THR 55 H THR 55 13.531 7.625 -4.970 408 HA THR 55 HA THR 55 10.891 7.894 -5.683 409 HB THR 55 HB THR 55 11.951 7.399 -8.049 410 HG1 THR 55 HG1 THR 55 14.203 7.043 -7.892 411 HG21 THR 55 1HG2 THR 55 13.124 9.493 -6.146 412 HG22 THR 55 2HG2 THR 55 13.434 9.464 -7.899 413 HG23 THR 55 3HG2 THR 55 11.782 9.731 -7.291 414 H LYS 56 H LYS 56 12.974 4.953 -6.070 415 HA LYS 56 HA LYS 56 10.462 3.457 -6.364 416 HB2 LYS 56 1HB LYS 56 13.185 2.818 -7.538 417 HB3 LYS 56 2HB LYS 56 11.744 1.834 -7.698 418 HG2 LYS 56 1HG LYS 56 11.530 4.732 -8.489 419 HG3 LYS 56 2HG LYS 56 12.442 3.676 -9.549 420 HD2 LYS 56 1HD LYS 56 10.574 2.502 -10.223 421 HD3 LYS 56 2HD LYS 56 9.831 2.559 -8.636 422 HE2 LYS 56 1HE LYS 56 8.723 4.538 -9.069 423 HE3 LYS 56 2HE LYS 56 10.050 5.205 -9.999 424 HZ1 LYS 56 1HZ LYS 56 9.127 3.084 -11.450 425 HZ2 LYS 56 2HZ LYS 56 7.779 3.835 -10.917 426 HZ3 LYS 56 3HZ LYS 56 8.892 4.667 -11.776 427 H HIS 57 H HIS 57 10.731 3.832 -3.853 428 HA HIS 57 HA HIS 57 12.721 2.440 -2.500 429 HB2 HIS 57 1HB HIS 57 11.266 4.197 -1.537 430 HB3 HIS 57 2HB HIS 57 9.902 3.100 -1.603 431 HD2 HIS 57 HD2 HIS 57 10.897 0.468 -0.138 432 HE1 HIS 57 HE1 HIS 57 12.492 2.982 2.902 433 HE2 HIS 57 HE2 HIS 57 11.712 0.597 2.273 434 H LEU 58 H LEU 58 9.234 1.485 -2.930 435 HA LEU 58 HA LEU 58 10.092 -1.224 -3.460 436 HB2 LEU 58 1HB LEU 58 8.565 -2.114 -1.683 437 HB3 LEU 58 2HB LEU 58 10.077 -1.418 -1.136 438 HG LEU 58 HG LEU 58 8.940 0.613 -0.417 439 HD11 LEU 58 1HD1 LEU 58 6.521 -0.672 -1.676 440 HD12 LEU 58 2HD1 LEU 58 6.376 0.570 -0.410 441 HD13 LEU 58 3HD1 LEU 58 7.198 0.952 -1.941 442 HD21 LEU 58 1HD2 LEU 58 7.092 -1.047 0.978 443 HD22 LEU 58 2HD2 LEU 58 8.582 -1.982 0.703 444 HD23 LEU 58 3HD2 LEU 58 8.659 -0.407 1.529 445 H ARG 59 H ARG 59 7.961 -2.615 -3.815 446 HA ARG 59 HA ARG 59 5.972 -0.859 -4.994 447 HB2 ARG 59 1HB ARG 59 6.980 -1.501 -6.995 448 HB3 ARG 59 2HB ARG 59 7.619 -2.988 -6.324 449 HG2 ARG 59 1HG ARG 59 5.356 -4.014 -6.372 450 HG3 ARG 59 2HG ARG 59 4.669 -2.515 -6.968 451 HD2 ARG 59 1HD ARG 59 6.858 -4.051 -8.446 452 HD3 ARG 59 2HD ARG 59 5.149 -4.277 -8.760 453 HE ARG 59 HE ARG 59 5.437 -1.542 -8.979 454 HH11 ARG 59 1HH1 ARG 59 7.136 -4.262 -10.426 455 HH12 ARG 59 2HH1 ARG 59 7.538 -3.404 -11.876 456 HH21 ARG 59 1HH2 ARG 59 5.967 -0.410 -10.892 457 HH22 ARG 59 2HH2 ARG 59 6.869 -1.198 -12.143 458 H ILE 60 H ILE 60 3.849 -1.508 -4.562 459 HA ILE 60 HA ILE 60 3.586 -4.059 -3.142 460 HB ILE 60 HB ILE 60 2.167 -1.427 -2.971 461 HG12 ILE 60 1HG1 ILE 60 3.130 -3.261 -0.768 462 HG13 ILE 60 2HG1 ILE 60 4.181 -2.091 -1.542 463 HG21 ILE 60 1HG2 ILE 60 0.739 -3.053 -1.278 464 HG22 ILE 60 2HG2 ILE 60 0.193 -2.467 -2.867 465 HG23 ILE 60 3HG2 ILE 60 0.939 -4.077 -2.720 466 HD11 ILE 60 1HD1 ILE 60 1.830 -1.634 0.269 467 HD12 ILE 60 2HD1 ILE 60 3.382 -0.766 0.180 468 HD13 ILE 60 3HD1 ILE 60 2.110 -0.440 -1.021 469 H GLU 61 H GLU 61 2.326 -5.679 -3.962 470 HA GLU 61 HA GLU 61 0.516 -4.976 -6.103 471 HB2 GLU 61 1HB GLU 61 1.367 -6.822 -7.540 472 HB3 GLU 61 2HB GLU 61 2.574 -5.578 -7.286 473 HG2 GLU 61 1HG GLU 61 3.965 -7.261 -6.641 474 HG3 GLU 61 2HG GLU 61 3.056 -7.289 -5.143 475 H SER 62 H SER 62 -0.842 -7.045 -6.724 476 HA SER 62 HA SER 62 -1.171 -8.648 -4.313 477 HB2 SER 62 1HB SER 62 -3.019 -7.192 -4.163 478 HB3 SER 62 2HB SER 62 -3.236 -7.117 -5.900 479 HG SER 62 HG SER 62 -4.237 -9.108 -5.916 480 H ASP 63 H ASP 63 -1.479 -10.866 -4.676 481 HA ASP 63 HA ASP 63 -2.095 -11.678 -7.374 482 HB2 ASP 63 1HB ASP 63 0.507 -12.121 -5.951 483 HB3 ASP 63 2HB ASP 63 -0.148 -13.513 -6.789 484 H SER 64 H SER 64 -2.555 -14.152 -7.385 485 HA SER 64 HA SER 64 -3.845 -15.737 -6.608 486 HB2 SER 64 1HB SER 64 -1.386 -15.925 -5.417 487 HB3 SER 64 2HB SER 64 -2.407 -15.898 -3.993 488 HG SER 64 HG SER 64 -3.417 -17.588 -5.962 489 H GLY 65 H GLY 65 -5.264 -13.485 -6.263 490 HA2 GLY 65 1HA GLY 65 -6.787 -12.378 -5.019 491 HA3 GLY 65 2HA GLY 65 -7.154 -13.968 -4.381 492 H ASN 66 H ASN 66 -4.122 -12.031 -3.983 493 HA ASN 66 HA ASN 66 -4.854 -11.457 -1.273 494 HB2 ASN 66 1HB ASN 66 -2.653 -13.403 -2.047 495 HB3 ASN 66 2HB ASN 66 -2.448 -12.416 -0.614 496 HD21 ASN 66 1HD2 ASN 66 -3.013 -15.357 -1.251 497 HD22 ASN 66 2HD2 ASN 66 -4.294 -15.807 -0.176 498 H TRP 67 H TRP 67 -2.863 -10.163 -0.232 499 HA TRP 67 HA TRP 67 -1.665 -8.560 -2.386 500 HB2 TRP 67 1HB TRP 67 -2.509 -7.789 0.410 501 HB3 TRP 67 2HB TRP 67 -1.547 -6.766 -0.638 502 HD1 TRP 67 HD1 TRP 67 -5.126 -8.231 -0.414 503 HE1 TRP 67 HE1 TRP 67 -6.816 -6.824 -1.873 504 HE3 TRP 67 HE3 TRP 67 -1.609 -5.250 -2.558 505 HZ2 TRP 67 HZ2 TRP 67 -6.499 -4.671 -3.719 506 HZ3 TRP 67 HZ3 TRP 67 -2.383 -3.521 -4.177 507 HH2 TRP 67 HH2 TRP 67 -4.734 -3.206 -4.767 508 H VAL 68 H VAL 68 0.586 -8.169 -2.289 509 HA VAL 68 HA VAL 68 2.003 -9.394 -0.042 510 HB VAL 68 HB VAL 68 3.484 -10.568 -1.456 511 HG11 VAL 68 1HG1 VAL 68 0.619 -10.961 -2.376 512 HG12 VAL 68 2HG1 VAL 68 1.949 -12.090 -2.731 513 HG13 VAL 68 3HG1 VAL 68 1.458 -11.796 -1.046 514 HG21 VAL 68 1HG2 VAL 68 4.051 -9.733 -3.446 515 HG22 VAL 68 2HG2 VAL 68 2.495 -10.312 -4.086 516 HG23 VAL 68 3HG2 VAL 68 2.634 -8.656 -3.449 517 H ILE 69 H ILE 69 4.255 -8.568 0.165 518 HA ILE 69 HA ILE 69 4.528 -5.944 -1.126 519 HB ILE 69 HB ILE 69 3.787 -5.670 1.169 520 HG12 ILE 69 1HG1 ILE 69 6.635 -4.876 1.408 521 HG13 ILE 69 2HG1 ILE 69 5.821 -4.351 -0.053 522 HG21 ILE 69 1HG2 ILE 69 5.023 -6.450 3.067 523 HG22 ILE 69 2HG2 ILE 69 4.679 -7.843 2.014 524 HG23 ILE 69 3HG2 ILE 69 6.304 -7.117 2.027 525 HD11 ILE 69 1HD1 ILE 69 5.396 -2.604 1.497 526 HD12 ILE 69 2HD1 ILE 69 3.896 -3.561 1.519 527 HD13 ILE 69 3HD1 ILE 69 5.087 -3.743 2.830 528 H GLN 70 H GLN 70 6.662 -5.316 -1.700 529 HA GLN 70 HA GLN 70 8.704 -7.306 -1.223 530 HB2 GLN 70 1HB GLN 70 7.802 -7.993 -3.375 531 HB3 GLN 70 2HB GLN 70 7.837 -6.349 -3.982 532 HG2 GLN 70 1HG GLN 70 10.322 -6.321 -3.818 533 HG3 GLN 70 2HG GLN 70 10.310 -7.943 -3.154 534 HE21 GLN 70 1HE2 GLN 70 11.394 -8.967 -4.730 535 HE22 GLN 70 2HE2 GLN 70 10.839 -9.172 -6.358 536 H ASP 71 H ASP 71 10.575 -6.311 -0.586 537 HA ASP 71 HA ASP 71 10.641 -3.466 -0.723 538 HB2 ASP 71 1HB ASP 71 11.505 -4.272 1.306 539 HB3 ASP 71 2HB ASP 71 12.284 -5.648 0.550 540 H LEU 72 H LEU 72 11.258 -2.604 -2.729 541 HA LEU 72 HA LEU 72 12.917 -4.035 -4.522 542 HB2 LEU 72 1HB LEU 72 11.819 -1.233 -4.450 543 HB3 LEU 72 2HB LEU 72 12.888 -1.781 -5.725 544 HG LEU 72 HG LEU 72 11.319 -3.265 -6.604 545 HD11 LEU 72 1HD1 LEU 72 9.849 -3.107 -3.961 546 HD12 LEU 72 2HD1 LEU 72 9.224 -3.924 -5.414 547 HD13 LEU 72 3HD1 LEU 72 10.720 -4.502 -4.642 548 HD21 LEU 72 1HD2 LEU 72 10.692 -0.956 -7.036 549 HD22 LEU 72 2HD2 LEU 72 9.242 -1.978 -6.885 550 HD23 LEU 72 3HD2 LEU 72 9.726 -0.915 -5.541 551 H GLY 73 H GLY 73 14.500 -4.356 -2.517 552 HA2 GLY 73 1HA GLY 73 16.397 -3.747 -1.409 553 HA3 GLY 73 2HA GLY 73 16.943 -3.480 -3.053 554 H SER 74 H SER 74 14.548 -1.643 -1.034 555 HA SER 74 HA SER 74 15.228 0.805 -1.935 556 HB2 SER 74 1HB SER 74 14.487 1.475 0.564 557 HB3 SER 74 2HB SER 74 13.337 0.903 -0.628 558 HG SER 74 HG SER 74 12.937 -0.384 1.129 559 H SER 75 H SER 75 16.125 2.612 -0.176 560 HA SER 75 HA SER 75 18.866 1.998 -0.007 561 HB2 SER 75 1HB SER 75 17.376 4.313 -0.177 562 HB3 SER 75 2HB SER 75 17.856 4.354 1.508 563 HG SER 75 HG SER 75 19.847 4.872 0.926 564 H ASN 76 H ASN 76 16.423 2.953 2.529 565 HA ASN 76 HA ASN 76 18.156 2.060 4.581 566 HB2 ASN 76 1HB ASN 76 15.171 2.722 4.755 567 HB3 ASN 76 2HB ASN 76 16.306 2.699 6.091 568 HD21 ASN 76 1HD2 ASN 76 15.468 4.879 6.393 569 HD22 ASN 76 2HD2 ASN 76 16.197 6.206 5.552 570 H GLY 77 H GLY 77 14.741 1.158 3.641 571 HA2 GLY 77 1HA GLY 77 14.679 -1.353 3.058 572 HA3 GLY 77 2HA GLY 77 15.210 -1.541 4.718 573 H THR 78 H THR 78 12.872 -2.753 4.209 574 HA THR 78 HA THR 78 10.839 -0.877 5.227 575 HB THR 78 HB THR 78 10.446 -3.379 3.504 576 HG1 THR 78 HG1 THR 78 10.981 -1.937 1.916 577 HG21 THR 78 1HG2 THR 78 8.265 -3.011 4.158 578 HG22 THR 78 2HG2 THR 78 8.646 -1.402 4.817 579 HG23 THR 78 3HG2 THR 78 8.353 -1.602 3.073 580 H LEU 79 H LEU 79 9.511 -1.524 6.930 581 HA LEU 79 HA LEU 79 10.386 -4.014 8.221 582 HB2 LEU 79 1HB LEU 79 9.928 -1.278 9.370 583 HB3 LEU 79 2HB LEU 79 9.748 -2.710 10.364 584 HG LEU 79 HG LEU 79 12.276 -2.135 8.809 585 HD11 LEU 79 1HD1 LEU 79 11.379 -1.059 11.462 586 HD12 LEU 79 2HD1 LEU 79 13.100 -1.415 11.181 587 HD13 LEU 79 3HD1 LEU 79 12.250 -0.251 10.137 588 HD21 LEU 79 1HD2 LEU 79 11.576 -4.456 9.869 589 HD22 LEU 79 2HD2 LEU 79 13.250 -3.857 9.951 590 HD23 LEU 79 3HD2 LEU 79 12.174 -3.688 11.359 591 H LEU 80 H LEU 80 8.792 -5.444 8.749 592 HA LEU 80 HA LEU 80 6.043 -4.428 8.554 593 HB2 LEU 80 1HB LEU 80 6.914 -5.813 6.591 594 HB3 LEU 80 2HB LEU 80 6.909 -7.179 7.690 595 HG LEU 80 HG LEU 80 4.545 -7.109 7.944 596 HD11 LEU 80 1HD1 LEU 80 3.721 -5.021 8.169 597 HD12 LEU 80 2HD1 LEU 80 4.831 -4.329 6.961 598 HD13 LEU 80 3HD1 LEU 80 3.375 -5.206 6.433 599 HD21 LEU 80 1HD2 LEU 80 5.300 -6.657 5.045 600 HD22 LEU 80 2HD2 LEU 80 5.253 -8.205 5.922 601 HD23 LEU 80 3HD2 LEU 80 3.744 -7.318 5.601 602 H ASN 81 H ASN 81 5.381 -4.300 10.648 603 HA ASN 81 HA ASN 81 4.991 -4.844 12.713 604 HB2 ASN 81 1HB ASN 81 5.060 -7.739 11.709 605 HB3 ASN 81 2HB ASN 81 4.272 -7.189 13.175 606 HD21 ASN 81 1HD2 ASN 81 3.842 -7.973 10.005 607 HD22 ASN 81 2HD2 ASN 81 2.346 -7.171 9.661 608 H SER 82 H SER 82 7.214 -4.158 13.371 609 HA SER 82 HA SER 82 9.299 -4.443 14.028 610 HB2 SER 82 1HB SER 82 7.555 -6.258 15.650 611 HB3 SER 82 2HB SER 82 9.283 -6.454 15.870 612 HG SER 82 HG SER 82 9.460 -4.227 16.439 613 H ASN 83 H ASN 83 9.225 -5.579 11.545 614 HA ASN 83 HA ASN 83 11.108 -7.708 11.873 615 HB2 ASN 83 1HB ASN 83 8.591 -8.604 11.595 616 HB3 ASN 83 2HB ASN 83 8.856 -8.221 9.906 617 HD21 ASN 83 1HD2 ASN 83 9.686 -9.730 8.687 618 HD22 ASN 83 2HD2 ASN 83 10.633 -11.089 9.194 619 H ALA 84 H ALA 84 12.676 -7.509 10.221 620 HA ALA 84 HA ALA 84 12.230 -5.396 8.291 621 HB1 ALA 84 1HB ALA 84 14.374 -5.074 8.920 622 HB2 ALA 84 2HB ALA 84 14.495 -6.703 9.626 623 HB3 ALA 84 3HB ALA 84 14.767 -6.466 7.883 624 H LEU 85 H LEU 85 11.660 -5.733 6.195 625 HA LEU 85 HA LEU 85 11.189 -8.415 5.340 626 HB2 LEU 85 1HB LEU 85 10.960 -5.794 3.854 627 HB3 LEU 85 2HB LEU 85 10.352 -7.343 3.304 628 HG LEU 85 HG LEU 85 9.426 -6.013 5.860 629 HD11 LEU 85 1HD1 LEU 85 9.025 -4.856 3.481 630 HD12 LEU 85 2HD1 LEU 85 7.678 -6.018 3.455 631 HD13 LEU 85 3HD1 LEU 85 7.811 -4.841 4.783 632 HD21 LEU 85 1HD2 LEU 85 9.162 -8.536 5.506 633 HD22 LEU 85 2HD2 LEU 85 7.707 -7.604 5.934 634 HD23 LEU 85 3HD2 LEU 85 7.976 -8.110 4.249 635 H ASP 86 H ASP 86 11.883 -8.600 2.719 636 HA ASP 86 HA ASP 86 14.706 -7.971 2.608 637 HB2 ASP 86 1HB ASP 86 13.772 -10.534 3.277 638 HB3 ASP 86 2HB ASP 86 14.069 -10.660 1.555 639 HA PRO 87 HA PRO 87 13.547 -7.331 -1.574 640 HB2 PRO 87 1HB PRO 87 15.970 -7.403 -2.837 641 HB3 PRO 87 2HB PRO 87 15.382 -5.998 -1.970 642 HG2 PRO 87 1HG PRO 87 17.449 -7.948 -1.154 643 HG3 PRO 87 2HG PRO 87 17.150 -6.339 -0.529 644 HD2 PRO 87 1HD PRO 87 16.437 -8.823 0.715 645 HD3 PRO 87 2HD PRO 87 16.036 -7.214 1.282 646 H GLU 88 H GLU 88 15.529 -10.112 -0.896 647 HA GLU 88 HA GLU 88 14.587 -11.313 -3.346 648 HB2 GLU 88 1HB GLU 88 16.569 -12.258 -1.230 649 HB3 GLU 88 2HB GLU 88 16.136 -13.202 -2.642 650 HG2 GLU 88 1HG GLU 88 16.762 -10.922 -3.928 651 HG3 GLU 88 2HG GLU 88 17.713 -10.636 -2.484 652 H THR 89 H THR 89 12.662 -10.679 -1.209 653 HA THR 89 HA THR 89 11.511 -13.317 -0.959 654 HB THR 89 HB THR 89 12.286 -11.634 1.483 655 HG1 THR 89 HG1 THR 89 13.642 -13.534 1.793 656 HG21 THR 89 1HG2 THR 89 11.245 -13.310 2.834 657 HG22 THR 89 2HG2 THR 89 10.045 -13.008 1.555 658 HG23 THR 89 3HG2 THR 89 11.099 -14.439 1.466 659 H SER 90 H SER 90 9.257 -13.291 -0.637 660 HA SER 90 HA SER 90 8.135 -10.603 -0.689 661 HB2 SER 90 1HB SER 90 6.452 -11.362 -2.327 662 HB3 SER 90 2HB SER 90 8.071 -11.546 -2.970 663 HG SER 90 HG SER 90 7.730 -13.644 -3.173 664 H VAL 91 H VAL 91 6.730 -10.303 1.001 665 HA VAL 91 HA VAL 91 5.643 -12.719 2.255 666 HB VAL 91 HB VAL 91 5.891 -9.917 3.363 667 HG11 VAL 91 1HG1 VAL 91 5.714 -11.262 5.558 668 HG12 VAL 91 2HG1 VAL 91 4.231 -11.022 4.603 669 HG13 VAL 91 3HG1 VAL 91 5.088 -12.581 4.540 670 HG21 VAL 91 1HG2 VAL 91 8.090 -11.071 2.766 671 HG22 VAL 91 2HG2 VAL 91 7.897 -10.540 4.454 672 HG23 VAL 91 3HG2 VAL 91 7.691 -12.257 4.032 673 H ASN 92 H ASN 92 3.378 -12.565 3.094 674 HA ASN 92 HA ASN 92 1.794 -11.213 1.092 675 HB2 ASN 92 1HB ASN 92 -0.056 -12.666 1.924 676 HB3 ASN 92 2HB ASN 92 1.351 -13.627 1.515 677 HD21 ASN 92 1HD2 ASN 92 2.706 -14.427 3.161 678 HD22 ASN 92 2HD2 ASN 92 2.144 -14.659 4.783 679 H LEU 93 H LEU 93 0.904 -9.222 1.653 680 HA LEU 93 HA LEU 93 1.144 -8.093 4.158 681 HB2 LEU 93 1HB LEU 93 -0.601 -7.513 1.780 682 HB3 LEU 93 2HB LEU 93 -0.721 -6.559 3.246 683 HG LEU 93 HG LEU 93 1.866 -6.938 1.719 684 HD11 LEU 93 1HD1 LEU 93 0.600 -5.820 0.139 685 HD12 LEU 93 2HD1 LEU 93 -0.341 -4.931 1.361 686 HD13 LEU 93 3HD1 LEU 93 1.351 -4.480 1.039 687 HD21 LEU 93 1HD2 LEU 93 2.749 -6.047 3.557 688 HD22 LEU 93 2HD2 LEU 93 1.931 -4.531 3.106 689 HD23 LEU 93 3HD2 LEU 93 1.149 -5.663 4.235 690 H GLY 94 H GLY 94 -0.834 -7.279 5.501 691 HA2 GLY 94 1HA GLY 94 -3.054 -9.138 5.604 692 HA3 GLY 94 2HA GLY 94 -1.929 -9.263 6.942 693 H ASP 95 H ASP 95 -4.749 -8.378 7.022 694 HA ASP 95 HA ASP 95 -4.848 -5.599 7.173 695 HB2 ASP 95 1HB ASP 95 -6.947 -6.644 6.981 696 HB3 ASP 95 2HB ASP 95 -6.546 -7.897 8.139 697 H GLY 96 H GLY 96 -3.759 -4.364 8.711 698 HA2 GLY 96 1HA GLY 96 -3.606 -3.710 10.990 699 HA3 GLY 96 2HA GLY 96 -3.653 -5.394 11.472 700 H ASP 97 H ASP 97 -1.764 -4.870 8.613 701 HA ASP 97 HA ASP 97 0.594 -5.443 10.133 702 HB2 ASP 97 1HB ASP 97 -0.039 -5.232 7.163 703 HB3 ASP 97 2HB ASP 97 1.610 -5.422 7.725 704 H VAL 98 H VAL 98 2.079 -3.842 10.718 705 HA VAL 98 HA VAL 98 1.653 -1.181 9.604 706 HB VAL 98 HB VAL 98 2.815 -2.324 12.102 707 HG11 VAL 98 1HG1 VAL 98 3.561 0.265 12.390 708 HG12 VAL 98 2HG1 VAL 98 4.661 -1.031 11.860 709 HG13 VAL 98 3HG1 VAL 98 3.894 0.033 10.657 710 HG21 VAL 98 1HG2 VAL 98 0.731 -1.580 12.619 711 HG22 VAL 98 2HG2 VAL 98 1.582 -0.028 12.805 712 HG23 VAL 98 3HG2 VAL 98 0.707 -0.387 11.298 713 H ILE 99 H ILE 99 2.842 -0.607 7.866 714 HA ILE 99 HA ILE 99 5.370 -1.996 7.446 715 HB ILE 99 HB ILE 99 3.835 -0.178 5.588 716 HG12 ILE 99 1HG1 ILE 99 3.823 -3.208 5.655 717 HG13 ILE 99 2HG1 ILE 99 2.543 -2.205 6.308 718 HG21 ILE 99 1HG2 ILE 99 5.729 -2.258 4.620 719 HG22 ILE 99 2HG2 ILE 99 5.349 -0.647 3.965 720 HG23 ILE 99 3HG2 ILE 99 6.425 -0.804 5.374 721 HD11 ILE 99 1HD1 ILE 99 1.638 -2.282 4.222 722 HD12 ILE 99 2HD1 ILE 99 2.909 -1.124 3.761 723 HD13 ILE 99 3HD1 ILE 99 3.156 -2.867 3.500 724 H LYS 100 H LYS 100 7.117 -1.087 8.390 725 HA LYS 100 HA LYS 100 7.127 1.827 8.650 726 HB2 LYS 100 1HB LYS 100 8.200 -0.428 10.236 727 HB3 LYS 100 2HB LYS 100 9.279 0.944 10.081 728 HG2 LYS 100 1HG LYS 100 7.727 2.448 11.085 729 HG3 LYS 100 2HG LYS 100 6.362 1.388 10.790 730 HD2 LYS 100 1HD LYS 100 8.612 0.955 12.805 731 HD3 LYS 100 2HD LYS 100 6.929 1.284 13.164 732 HE2 LYS 100 1HE LYS 100 6.640 -0.947 11.595 733 HE3 LYS 100 2HE LYS 100 8.219 -1.270 12.282 734 HZ1 LYS 100 1HZ LYS 100 6.250 -0.338 14.149 735 HZ2 LYS 100 2HZ LYS 100 5.947 -1.809 13.509 736 HZ3 LYS 100 3HZ LYS 100 7.347 -1.537 14.303 737 H LEU 101 H LEU 101 7.934 2.779 6.842 738 HA LEU 101 HA LEU 101 10.473 1.684 5.855 739 HB2 LEU 101 1HB LEU 101 9.846 2.093 3.615 740 HB3 LEU 101 2HB LEU 101 8.587 1.127 4.358 741 HG LEU 101 HG LEU 101 8.208 4.089 4.330 742 HD11 LEU 101 1HD1 LEU 101 9.103 3.344 2.042 743 HD12 LEU 101 2HD1 LEU 101 7.553 2.487 1.861 744 HD13 LEU 101 3HD1 LEU 101 7.573 4.253 2.086 745 HD21 LEU 101 1HD2 LEU 101 6.650 1.777 4.890 746 HD22 LEU 101 2HD2 LEU 101 6.175 3.490 4.975 747 HD23 LEU 101 3HD2 LEU 101 5.945 2.577 3.465 748 H GLY 102 H GLY 102 11.782 3.396 4.656 749 HA2 GLY 102 1HA GLY 102 12.720 5.441 4.546 750 HA3 GLY 102 2HA GLY 102 11.201 6.143 5.065 751 H GLU 103 H GLU 103 11.898 7.585 6.645 752 HA GLU 103 HA GLU 103 13.820 6.705 8.562 753 HB2 GLU 103 1HB GLU 103 12.199 9.287 8.523 754 HB3 GLU 103 2HB GLU 103 13.660 8.988 9.444 755 HG2 GLU 103 1HG GLU 103 14.914 8.627 7.286 756 HG3 GLU 103 2HG GLU 103 13.453 9.004 6.395 757 H TYR 104 H TYR 104 10.538 8.234 8.960 758 HA TYR 104 HA TYR 104 9.953 6.199 10.984 759 HB2 TYR 104 1HB TYR 104 9.698 9.269 11.121 760 HB3 TYR 104 2HB TYR 104 9.005 8.200 12.324 761 HD1 TYR 104 HD1 TYR 104 10.552 6.769 13.740 762 HD2 TYR 104 HD2 TYR 104 11.989 9.909 11.215 763 HE1 TYR 104 HE1 TYR 104 12.739 6.818 15.035 764 HE2 TYR 104 HE2 TYR 104 14.172 9.948 12.519 765 HH TYR 104 HH TYR 104 14.937 7.486 14.825 766 H THR 105 H THR 105 8.949 5.859 8.507 767 HA THR 105 HA THR 105 6.258 7.052 8.627 768 HB THR 105 HB THR 105 8.110 6.213 6.363 769 HG1 THR 105 HG1 THR 105 7.916 8.443 7.287 770 HG21 THR 105 1HG2 THR 105 5.173 5.949 6.448 771 HG22 THR 105 2HG2 THR 105 5.697 7.147 5.240 772 HG23 THR 105 3HG2 THR 105 6.304 5.476 5.157 773 H SER 106 H SER 106 4.648 5.776 9.262 774 HA SER 106 HA SER 106 5.087 2.914 8.897 775 HB2 SER 106 1HB SER 106 3.363 4.236 11.035 776 HB3 SER 106 2HB SER 106 3.749 2.531 10.911 777 HG SER 106 HG SER 106 6.124 3.625 10.954 778 H ILE 107 H ILE 107 3.522 1.784 7.744 779 HA ILE 107 HA ILE 107 1.078 3.284 7.102 780 HB ILE 107 HB ILE 107 2.562 1.378 5.292 781 HG12 ILE 107 1HG1 ILE 107 2.470 4.402 5.114 782 HG13 ILE 107 2HG1 ILE 107 3.813 3.505 5.793 783 HG21 ILE 107 1HG2 ILE 107 -0.036 2.791 5.153 784 HG22 ILE 107 2HG2 ILE 107 0.965 2.844 3.682 785 HG23 ILE 107 3HG2 ILE 107 0.500 1.277 4.386 786 HD11 ILE 107 1HD1 ILE 107 3.859 2.181 3.562 787 HD12 ILE 107 2HD1 ILE 107 2.789 3.456 2.932 788 HD13 ILE 107 3HD1 ILE 107 4.418 3.870 3.516 789 H LEU 108 H LEU 108 -0.817 2.293 7.604 790 HA LEU 108 HA LEU 108 -0.594 -0.416 8.662 791 HB2 LEU 108 1HB LEU 108 -1.670 1.732 9.788 792 HB3 LEU 108 2HB LEU 108 -3.072 1.226 8.868 793 HG LEU 108 HG LEU 108 -1.590 -0.586 10.788 794 HD11 LEU 108 1HD1 LEU 108 -3.926 -0.072 12.049 795 HD12 LEU 108 2HD1 LEU 108 -2.407 0.800 12.366 796 HD13 LEU 108 3HD1 LEU 108 -3.627 1.504 11.277 797 HD21 LEU 108 1HD2 LEU 108 -4.303 -1.326 10.464 798 HD22 LEU 108 2HD2 LEU 108 -3.639 -1.047 8.836 799 HD23 LEU 108 3HD2 LEU 108 -2.846 -2.201 9.935 800 H VAL 109 H VAL 109 -1.532 -2.175 7.698 801 HA VAL 109 HA VAL 109 -2.747 -1.662 5.098 802 HB VAL 109 HB VAL 109 -1.534 -4.081 6.429 803 HG11 VAL 109 1HG1 VAL 109 -3.346 -3.911 4.056 804 HG12 VAL 109 2HG1 VAL 109 -1.956 -5.019 3.971 805 HG13 VAL 109 3HG1 VAL 109 -3.161 -5.201 5.268 806 HG21 VAL 109 1HG2 VAL 109 -0.097 -3.936 4.297 807 HG22 VAL 109 2HG2 VAL 109 -0.770 -2.299 4.111 808 HG23 VAL 109 3HG2 VAL 109 0.172 -2.714 5.563 809 H ASN 110 H ASN 110 -4.921 -1.519 4.984 810 HA ASN 110 HA ASN 110 -6.401 -3.149 6.898 811 HB2 ASN 110 1HB ASN 110 -6.643 -0.282 6.126 812 HB3 ASN 110 2HB ASN 110 -8.171 -1.140 6.094 813 HD21 ASN 110 1HD2 ASN 110 -5.323 -1.683 8.135 814 HD22 ASN 110 2HD2 ASN 110 -6.077 -1.376 9.664 815 H PHE 111 H PHE 111 -8.021 -4.480 5.966 816 HA PHE 111 HA PHE 111 -8.157 -4.411 3.058 817 HB2 PHE 111 1HB PHE 111 -8.928 -6.359 5.301 818 HB3 PHE 111 2HB PHE 111 -9.399 -6.663 3.641 819 HD1 PHE 111 HD1 PHE 111 -6.914 -5.723 2.246 820 HD2 PHE 111 HD2 PHE 111 -7.432 -8.110 5.716 821 HE1 PHE 111 HE1 PHE 111 -4.698 -6.824 1.820 822 HE2 PHE 111 HE2 PHE 111 -5.217 -9.211 5.290 823 HZ PHE 111 HZ PHE 111 -3.877 -8.555 3.347 824 H VAL 112 H VAL 112 -9.775 -3.212 2.176 825 HA VAL 112 HA VAL 112 -12.232 -2.912 3.725 826 HB VAL 112 HB VAL 112 -11.345 -1.482 1.216 827 HG11 VAL 112 1HG1 VAL 112 -13.823 -1.537 1.979 828 HG12 VAL 112 2HG1 VAL 112 -13.283 -0.459 3.289 829 HG13 VAL 112 3HG1 VAL 112 -13.084 0.035 1.590 830 HG21 VAL 112 1HG2 VAL 112 -10.589 0.345 2.645 831 HG22 VAL 112 2HG2 VAL 112 -11.019 -0.587 4.100 832 HG23 VAL 112 3HG2 VAL 112 -9.707 -1.150 3.037 833 H SER 113 H SER 113 -13.746 -4.452 3.369 834 HA SER 113 HA SER 113 -13.801 -5.646 0.730 835 HB2 SER 113 1HB SER 113 -13.729 -7.012 2.926 836 HB3 SER 113 2HB SER 113 -15.393 -6.519 3.171 837 HG SER 113 HG SER 113 -14.297 -8.146 1.061 838 H GLY 114 H GLY 114 -14.772 -3.649 -0.223 839 HA2 GLY 114 1HA GLY 114 -16.683 -2.876 -1.228 840 HA3 GLY 114 2HA GLY 114 -17.670 -3.768 -0.087 841 HA PRO 115 HA PRO 115 -17.835 0.552 1.242 842 HB2 PRO 115 1HB PRO 115 -20.554 0.763 1.416 843 HB3 PRO 115 2HB PRO 115 -19.646 1.225 -0.010 844 HG2 PRO 115 1HG PRO 115 -21.318 -1.174 0.426 845 HG3 PRO 115 2HG PRO 115 -20.762 -0.484 -1.085 846 HD2 PRO 115 1HD PRO 115 -19.711 -2.805 0.232 847 HD3 PRO 115 2HD PRO 115 -19.082 -2.048 -1.218 848 H SER 116 H SER 116 -19.212 1.567 3.181 849 HA SER 116 HA SER 116 -18.683 -0.357 5.272 850 HB2 SER 116 1HB SER 116 -19.372 2.601 5.529 851 HB3 SER 116 2HB SER 116 -18.736 1.566 6.792 852 HG SER 116 HG SER 116 -16.817 1.253 5.337 853 H SER 117 H SER 117 -20.481 -1.714 5.455 854 HA SER 117 HA SER 117 -23.091 -0.560 5.256 855 HB2 SER 117 1HB SER 117 -22.485 -2.832 4.327 856 HB3 SER 117 2HB SER 117 -22.274 -3.412 5.967 857 HG SER 117 HG SER 117 -24.696 -2.530 4.677 858 H GLY 118 H GLY 118 -24.440 -0.033 6.977 859 HA2 GLY 118 1HA GLY 118 -25.259 -0.203 9.134 860 HA3 GLY 118 2HA GLY 118 -23.812 -1.053 9.640 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -26.106 4.040 -7.788 2 HA2 GLY 1 1HA GLY 1 -28.542 3.883 -9.218 3 HA3 GLY 1 2HA GLY 1 -27.221 3.363 -10.244 4 H SER 2 H SER 2 -29.016 1.428 -9.725 5 HA SER 2 HA SER 2 -27.903 -0.048 -7.475 6 HB2 SER 2 1HB SER 2 -30.597 0.009 -8.809 7 HB3 SER 2 2HB SER 2 -30.073 -1.516 -8.123 8 HG SER 2 HG SER 2 -29.502 0.292 -6.252 9 H SER 3 H SER 3 -27.335 -2.329 -7.796 10 HA SER 3 HA SER 3 -27.564 -3.588 -10.243 11 HB2 SER 3 1HB SER 3 -25.370 -3.432 -11.206 12 HB3 SER 3 2HB SER 3 -25.891 -1.787 -10.899 13 HG SER 3 HG SER 3 -24.696 -2.330 -8.671 14 H GLY 4 H GLY 4 -27.465 -5.739 -9.691 15 HA2 GLY 4 1HA GLY 4 -26.790 -6.607 -7.133 16 HA3 GLY 4 2HA GLY 4 -26.986 -7.616 -8.553 17 H SER 5 H SER 5 -25.129 -8.105 -9.918 18 HA SER 5 HA SER 5 -23.049 -8.584 -10.314 19 HB2 SER 5 1HB SER 5 -22.887 -5.908 -9.173 20 HB3 SER 5 2HB SER 5 -21.457 -6.824 -8.742 21 HG SER 5 HG SER 5 -21.338 -5.651 -10.829 22 H SER 6 H SER 6 -20.874 -9.320 -9.181 23 HA SER 6 HA SER 6 -21.659 -10.459 -6.615 24 HB2 SER 6 1HB SER 6 -20.767 -11.722 -8.970 25 HB3 SER 6 2HB SER 6 -19.362 -11.738 -7.924 26 HG SER 6 HG SER 6 -20.274 -13.305 -6.802 27 H GLY 7 H GLY 7 -20.193 -10.322 -4.845 28 HA2 GLY 7 1HA GLY 7 -18.411 -8.116 -4.872 29 HA3 GLY 7 2HA GLY 7 -18.647 -9.278 -3.582 30 H MET 8 H MET 8 -16.081 -8.343 -4.061 31 HA MET 8 HA MET 8 -14.857 -10.558 -5.514 32 HB2 MET 8 1HB MET 8 -13.920 -7.709 -4.887 33 HB3 MET 8 2HB MET 8 -12.823 -8.927 -5.507 34 HG2 MET 8 1HG MET 8 -15.408 -8.545 -7.001 35 HG3 MET 8 2HG MET 8 -14.220 -7.263 -7.133 36 HE1 MET 8 1HE MET 8 -14.508 -9.234 -10.196 37 HE2 MET 8 2HE MET 8 -14.533 -7.651 -9.383 38 HE3 MET 8 3HE MET 8 -13.043 -8.224 -10.170 39 H VAL 9 H VAL 9 -13.927 -12.111 -4.259 40 HA VAL 9 HA VAL 9 -13.822 -12.035 -1.529 41 HB VAL 9 HB VAL 9 -12.371 -13.955 -1.699 42 HG11 VAL 9 1HG1 VAL 9 -13.986 -14.428 -4.134 43 HG12 VAL 9 2HG1 VAL 9 -13.964 -15.297 -2.580 44 HG13 VAL 9 3HG1 VAL 9 -14.882 -13.780 -2.739 45 HG21 VAL 9 1HG2 VAL 9 -11.722 -12.792 -4.375 46 HG22 VAL 9 2HG2 VAL 9 -10.667 -13.591 -3.184 47 HG23 VAL 9 3HG2 VAL 9 -11.740 -14.565 -4.217 48 H THR 10 H THR 10 -11.524 -10.748 -3.930 49 HA THR 10 HA THR 10 -9.434 -10.315 -2.034 50 HB THR 10 HB THR 10 -9.803 -8.887 -4.698 51 HG1 THR 10 HG1 THR 10 -8.997 -11.636 -4.048 52 HG21 THR 10 1HG2 THR 10 -7.701 -8.601 -3.195 53 HG22 THR 10 2HG2 THR 10 -7.371 -10.317 -3.530 54 HG23 THR 10 3HG2 THR 10 -7.409 -9.141 -4.866 55 HA PRO 11 HA PRO 11 -11.314 -6.784 -0.308 56 HB2 PRO 11 1HB PRO 11 -9.622 -6.541 1.824 57 HB3 PRO 11 2HB PRO 11 -11.050 -7.557 1.845 58 HG2 PRO 11 1HG PRO 11 -8.212 -8.352 1.615 59 HG3 PRO 11 2HG PRO 11 -9.595 -9.333 2.059 60 HD2 PRO 11 1HD PRO 11 -8.249 -9.312 -0.474 61 HD3 PRO 11 2HD PRO 11 -9.700 -10.205 -0.066 62 H SER 12 H SER 12 -11.048 -4.557 -0.329 63 HA SER 12 HA SER 12 -9.100 -3.734 -2.117 64 HB2 SER 12 1HB SER 12 -10.613 -2.029 -0.089 65 HB3 SER 12 2HB SER 12 -9.845 -1.449 -1.553 66 HG SER 12 HG SER 12 -12.353 -2.361 -1.278 67 H LEU 13 H LEU 13 -7.131 -2.525 -1.809 68 HA LEU 13 HA LEU 13 -5.904 -3.052 0.772 69 HB2 LEU 13 1HB LEU 13 -4.922 -3.634 -1.534 70 HB3 LEU 13 2HB LEU 13 -4.563 -1.925 -1.672 71 HG LEU 13 HG LEU 13 -2.909 -3.831 -0.600 72 HD11 LEU 13 1HD1 LEU 13 -2.867 -1.087 -1.137 73 HD12 LEU 13 2HD1 LEU 13 -2.323 -1.238 0.551 74 HD13 LEU 13 3HD1 LEU 13 -1.484 -2.134 -0.738 75 HD21 LEU 13 1HD2 LEU 13 -4.297 -4.108 1.386 76 HD22 LEU 13 2HD2 LEU 13 -2.725 -3.386 1.805 77 HD23 LEU 13 3HD2 LEU 13 -4.181 -2.366 1.729 78 H ARG 14 H ARG 14 -6.172 -1.544 2.327 79 HA ARG 14 HA ARG 14 -6.276 1.214 1.412 80 HB2 ARG 14 1HB ARG 14 -8.304 0.513 2.623 81 HB3 ARG 14 2HB ARG 14 -7.348 -0.100 3.957 82 HG2 ARG 14 1HG ARG 14 -6.407 2.367 4.096 83 HG3 ARG 14 2HG ARG 14 -7.818 2.785 3.145 84 HD2 ARG 14 1HD ARG 14 -8.751 1.059 5.230 85 HD3 ARG 14 2HD ARG 14 -7.653 2.194 5.991 86 HE ARG 14 HE ARG 14 -9.435 3.568 4.167 87 HH11 ARG 14 1HH1 ARG 14 -9.300 2.107 7.365 88 HH12 ARG 14 2HH1 ARG 14 -10.571 3.093 8.009 89 HH21 ARG 14 1HH2 ARG 14 -11.110 4.869 5.016 90 HH22 ARG 14 2HH2 ARG 14 -11.607 4.675 6.664 91 H LEU 15 H LEU 15 -4.406 2.366 1.775 92 HA LEU 15 HA LEU 15 -2.614 1.382 3.863 93 HB2 LEU 15 1HB LEU 15 -2.174 3.179 1.478 94 HB3 LEU 15 2HB LEU 15 -0.960 2.868 2.703 95 HG LEU 15 HG LEU 15 -2.249 0.693 1.036 96 HD11 LEU 15 1HD1 LEU 15 -0.458 0.755 -0.475 97 HD12 LEU 15 2HD1 LEU 15 -0.929 2.459 -0.264 98 HD13 LEU 15 3HD1 LEU 15 0.509 1.823 0.570 99 HD21 LEU 15 1HD2 LEU 15 -0.873 -0.809 2.035 100 HD22 LEU 15 2HD2 LEU 15 0.421 0.381 2.310 101 HD23 LEU 15 3HD2 LEU 15 -1.004 0.354 3.376 102 H VAL 16 H VAL 16 -2.939 2.287 5.824 103 HA VAL 16 HA VAL 16 -3.842 5.069 5.879 104 HB VAL 16 HB VAL 16 -3.820 2.917 8.005 105 HG11 VAL 16 1HG1 VAL 16 -3.592 5.168 8.965 106 HG12 VAL 16 2HG1 VAL 16 -5.028 5.704 8.062 107 HG13 VAL 16 3HG1 VAL 16 -5.186 4.466 9.331 108 HG21 VAL 16 1HG2 VAL 16 -5.620 3.422 5.831 109 HG22 VAL 16 2HG2 VAL 16 -5.729 2.192 7.113 110 HG23 VAL 16 3HG2 VAL 16 -6.449 3.802 7.360 111 H PHE 17 H PHE 17 -2.462 6.677 6.449 112 HA PHE 17 HA PHE 17 0.232 5.919 7.130 113 HB2 PHE 17 1HB PHE 17 -1.366 8.400 6.385 114 HB3 PHE 17 2HB PHE 17 0.184 8.642 7.166 115 HD1 PHE 17 HD1 PHE 17 2.241 7.573 6.076 116 HD2 PHE 17 HD2 PHE 17 -1.484 7.980 4.085 117 HE1 PHE 17 HE1 PHE 17 3.396 7.314 3.863 118 HE2 PHE 17 HE2 PHE 17 -0.329 7.720 1.871 119 HZ PHE 17 HZ PHE 17 2.097 7.390 1.787 120 H VAL 18 H VAL 18 0.040 5.054 9.274 121 HA VAL 18 HA VAL 18 -1.219 6.599 11.315 122 HB VAL 18 HB VAL 18 -0.083 4.853 12.775 123 HG11 VAL 18 1HG1 VAL 18 -2.339 4.464 12.354 124 HG12 VAL 18 2HG1 VAL 18 -2.084 4.248 10.606 125 HG13 VAL 18 3HG1 VAL 18 -1.573 2.978 11.744 126 HG21 VAL 18 1HG2 VAL 18 1.391 3.395 11.937 127 HG22 VAL 18 2HG2 VAL 18 0.335 3.011 10.558 128 HG23 VAL 18 3HG2 VAL 18 1.436 4.407 10.473 129 H LYS 19 H LYS 19 2.036 6.269 9.924 130 HA LYS 19 HA LYS 19 2.880 8.432 11.704 131 HB2 LYS 19 1HB LYS 19 4.465 5.911 11.130 132 HB3 LYS 19 2HB LYS 19 5.105 7.336 11.923 133 HG2 LYS 19 1HG LYS 19 2.737 6.823 13.344 134 HG3 LYS 19 2HG LYS 19 3.356 5.219 13.006 135 HD2 LYS 19 1HD LYS 19 5.500 5.737 14.048 136 HD3 LYS 19 2HD LYS 19 5.094 7.437 14.174 137 HE2 LYS 19 1HE LYS 19 3.109 6.729 15.662 138 HE3 LYS 19 2HE LYS 19 3.807 5.123 15.688 139 HZ1 LYS 19 1HZ LYS 19 5.906 6.621 16.304 140 HZ2 LYS 19 2HZ LYS 19 4.715 7.511 16.979 141 HZ3 LYS 19 3HZ LYS 19 4.915 5.950 17.415 142 H GLY 20 H GLY 20 5.375 8.949 10.705 143 HA2 GLY 20 1HA GLY 20 6.569 9.513 8.826 144 HA3 GLY 20 2HA GLY 20 5.261 8.956 7.800 145 HA PRO 21 HA PRO 21 5.067 13.509 7.939 146 HB2 PRO 21 1HB PRO 21 5.399 14.001 5.272 147 HB3 PRO 21 2HB PRO 21 6.717 14.043 6.425 148 HG2 PRO 21 1HG PRO 21 6.075 11.968 4.420 149 HG3 PRO 21 2HG PRO 21 7.582 12.244 5.269 150 HD2 PRO 21 1HD PRO 21 5.652 10.195 5.821 151 HD3 PRO 21 2HD PRO 21 7.102 10.544 6.741 152 H ARG 22 H ARG 22 3.514 11.035 6.168 153 HA ARG 22 HA ARG 22 1.347 12.832 5.552 154 HB2 ARG 22 1HB ARG 22 2.229 10.114 4.645 155 HB3 ARG 22 2HB ARG 22 0.495 10.369 4.672 156 HG2 ARG 22 1HG ARG 22 0.548 11.892 2.943 157 HG3 ARG 22 2HG ARG 22 2.048 12.619 3.485 158 HD2 ARG 22 1HD ARG 22 3.297 11.320 2.085 159 HD3 ARG 22 2HD ARG 22 2.488 9.853 2.599 160 HE ARG 22 HE ARG 22 1.151 9.980 0.693 161 HH11 ARG 22 1HH1 ARG 22 2.418 13.188 1.389 162 HH12 ARG 22 2HH1 ARG 22 1.752 13.901 -0.042 163 HH21 ARG 22 1HH2 ARG 22 0.272 10.920 -1.195 164 HH22 ARG 22 2HH2 ARG 22 0.523 12.602 -1.522 165 H GLU 23 H GLU 23 2.334 11.313 8.263 166 HA GLU 23 HA GLU 23 0.533 9.578 9.146 167 HB2 GLU 23 1HB GLU 23 2.397 10.321 10.521 168 HB3 GLU 23 2HB GLU 23 1.745 11.944 10.635 169 HG2 GLU 23 1HG GLU 23 -0.199 9.910 11.520 170 HG3 GLU 23 2HG GLU 23 1.289 9.838 12.442 171 H GLY 24 H GLY 24 -1.668 9.512 9.103 172 HA2 GLY 24 1HA GLY 24 -3.669 10.441 10.094 173 HA3 GLY 24 2HA GLY 24 -3.114 12.038 9.632 174 H ASP 25 H ASP 25 -2.146 9.999 7.142 175 HA ASP 25 HA ASP 25 -4.511 10.747 5.635 176 HB2 ASP 25 1HB ASP 25 -1.645 10.067 4.887 177 HB3 ASP 25 2HB ASP 25 -2.907 10.027 3.672 178 H ALA 26 H ALA 26 -5.226 9.073 3.921 179 HA ALA 26 HA ALA 26 -4.391 6.358 4.371 180 HB1 ALA 26 1HB ALA 26 -6.391 5.513 5.263 181 HB2 ALA 26 2HB ALA 26 -6.166 7.029 6.168 182 HB3 ALA 26 3HB ALA 26 -7.319 6.963 4.814 183 H LEU 27 H LEU 27 -4.710 5.127 2.522 184 HA LEU 27 HA LEU 27 -6.332 6.397 0.430 185 HB2 LEU 27 1HB LEU 27 -3.694 4.989 0.010 186 HB3 LEU 27 2HB LEU 27 -4.693 5.744 -1.217 187 HG LEU 27 HG LEU 27 -3.892 7.554 0.973 188 HD11 LEU 27 1HD1 LEU 27 -1.797 6.381 -0.876 189 HD12 LEU 27 2HD1 LEU 27 -1.582 7.833 0.131 190 HD13 LEU 27 3HD1 LEU 27 -1.858 6.251 0.899 191 HD21 LEU 27 1HD2 LEU 27 -4.647 7.667 -1.803 192 HD22 LEU 27 2HD2 LEU 27 -4.538 8.975 -0.602 193 HD23 LEU 27 3HD2 LEU 27 -3.104 8.520 -1.554 194 H ASP 28 H ASP 28 -6.876 4.714 -1.356 195 HA ASP 28 HA ASP 28 -7.024 2.049 -0.279 196 HB2 ASP 28 1HB ASP 28 -9.113 2.936 0.542 197 HB3 ASP 28 2HB ASP 28 -9.427 3.787 -0.957 198 H TYR 29 H TYR 29 -7.361 0.460 -2.018 199 HA TYR 29 HA TYR 29 -7.635 1.546 -4.712 200 HB2 TYR 29 1HB TYR 29 -5.418 -0.285 -3.598 201 HB3 TYR 29 2HB TYR 29 -5.622 0.051 -5.306 202 HD1 TYR 29 HD1 TYR 29 -4.740 1.570 -2.037 203 HD2 TYR 29 HD2 TYR 29 -4.788 2.071 -6.285 204 HE1 TYR 29 HE1 TYR 29 -3.247 3.616 -1.820 205 HE2 TYR 29 HE2 TYR 29 -3.295 4.115 -6.054 206 HH TYR 29 HH TYR 29 -2.312 5.479 -4.698 207 H LYS 30 H LYS 30 -7.620 -0.468 -6.325 208 HA LYS 30 HA LYS 30 -9.521 -2.344 -5.152 209 HB2 LYS 30 1HB LYS 30 -10.459 -2.556 -7.239 210 HB3 LYS 30 2HB LYS 30 -9.900 -0.896 -7.296 211 HG2 LYS 30 1HG LYS 30 -7.732 -1.772 -8.362 212 HG3 LYS 30 2HG LYS 30 -8.509 -3.338 -8.485 213 HD2 LYS 30 1HD LYS 30 -9.561 -2.692 -10.385 214 HD3 LYS 30 2HD LYS 30 -10.358 -1.391 -9.522 215 HE2 LYS 30 1HE LYS 30 -8.744 0.202 -10.133 216 HE3 LYS 30 2HE LYS 30 -7.472 -0.990 -10.305 217 HZ1 LYS 30 1HZ LYS 30 -9.717 -1.219 -12.108 218 HZ2 LYS 30 2HZ LYS 30 -8.706 0.040 -12.353 219 HZ3 LYS 30 3HZ LYS 30 -8.130 -1.488 -12.383 220 HA PRO 31 HA PRO 31 -6.792 -5.674 -5.442 221 HB2 PRO 31 1HB PRO 31 -8.372 -7.772 -6.198 222 HB3 PRO 31 2HB PRO 31 -8.320 -7.153 -4.560 223 HG2 PRO 31 1HG PRO 31 -10.419 -6.794 -6.610 224 HG3 PRO 31 2HG PRO 31 -10.527 -6.561 -4.877 225 HD2 PRO 31 1HD PRO 31 -10.315 -4.513 -6.874 226 HD3 PRO 31 2HD PRO 31 -10.306 -4.288 -5.136 227 H GLY 32 H GLY 32 -5.105 -6.120 -6.706 228 HA2 GLY 32 1HA GLY 32 -4.279 -7.144 -8.659 229 HA3 GLY 32 2HA GLY 32 -5.748 -6.718 -9.514 230 H SER 33 H SER 33 -4.735 -4.137 -7.479 231 HA SER 33 HA SER 33 -3.571 -2.841 -9.813 232 HB2 SER 33 1HB SER 33 -5.444 -1.974 -7.692 233 HB3 SER 33 2HB SER 33 -4.151 -0.826 -7.977 234 HG SER 33 HG SER 33 -5.162 -0.218 -9.753 235 H THR 34 H THR 34 -1.383 -2.494 -9.742 236 HA THR 34 HA THR 34 0.056 -2.998 -7.322 237 HB THR 34 HB THR 34 0.896 -1.970 -10.084 238 HG1 THR 34 HG1 THR 34 0.688 -4.534 -8.679 239 HG21 THR 34 1HG2 THR 34 2.652 -1.610 -8.301 240 HG22 THR 34 2HG2 THR 34 2.518 -3.332 -7.870 241 HG23 THR 34 3HG2 THR 34 3.124 -2.861 -9.476 242 H ILE 35 H ILE 35 0.771 -1.638 -5.788 243 HA ILE 35 HA ILE 35 0.368 1.219 -6.341 244 HB ILE 35 HB ILE 35 0.146 -0.313 -3.748 245 HG12 ILE 35 1HG1 ILE 35 -2.186 1.192 -4.392 246 HG13 ILE 35 2HG1 ILE 35 -1.748 0.276 -5.820 247 HG21 ILE 35 1HG2 ILE 35 0.221 2.633 -4.339 248 HG22 ILE 35 2HG2 ILE 35 -0.720 2.006 -2.965 249 HG23 ILE 35 3HG2 ILE 35 1.033 1.710 -3.052 250 HD11 ILE 35 1HD1 ILE 35 -1.427 -1.734 -4.144 251 HD12 ILE 35 2HD1 ILE 35 -2.425 -0.744 -3.052 252 HD13 ILE 35 3HD1 ILE 35 -3.073 -1.260 -4.627 253 H ARG 36 H ARG 36 2.394 1.766 -7.136 254 HA ARG 36 HA ARG 36 4.705 0.752 -5.852 255 HB2 ARG 36 1HB ARG 36 4.344 2.959 -7.942 256 HB3 ARG 36 2HB ARG 36 5.902 2.336 -7.438 257 HG2 ARG 36 1HG ARG 36 4.210 0.087 -8.105 258 HG3 ARG 36 2HG ARG 36 4.108 1.251 -9.411 259 HD2 ARG 36 1HD ARG 36 6.784 0.380 -8.235 260 HD3 ARG 36 2HD ARG 36 6.019 -0.495 -9.547 261 HE ARG 36 HE ARG 36 6.089 2.300 -10.206 262 HH11 ARG 36 1HH1 ARG 36 8.229 -0.474 -9.878 263 HH12 ARG 36 2HH1 ARG 36 9.389 0.125 -11.017 264 HH21 ARG 36 1HH2 ARG 36 7.619 3.091 -11.708 265 HH22 ARG 36 2HH2 ARG 36 9.039 2.166 -12.064 266 H VAL 37 H VAL 37 5.302 1.515 -3.841 267 HA VAL 37 HA VAL 37 4.656 4.283 -3.189 268 HB VAL 37 HB VAL 37 5.712 2.059 -1.435 269 HG11 VAL 37 1HG1 VAL 37 5.904 4.584 -0.790 270 HG12 VAL 37 2HG1 VAL 37 4.154 4.457 -0.494 271 HG13 VAL 37 3HG1 VAL 37 5.286 3.417 0.403 272 HG21 VAL 37 1HG2 VAL 37 3.266 2.032 -0.626 273 HG22 VAL 37 2HG2 VAL 37 2.888 2.850 -2.161 274 HG23 VAL 37 3HG2 VAL 37 3.639 1.236 -2.174 275 H GLY 38 H GLY 38 6.163 5.837 -3.467 276 HA2 GLY 38 1HA GLY 38 8.987 5.101 -3.074 277 HA3 GLY 38 2HA GLY 38 8.490 5.895 -4.555 278 H ARG 39 H ARG 39 9.860 7.734 -4.021 279 HA ARG 39 HA ARG 39 8.916 9.240 -1.732 280 HB2 ARG 39 1HB ARG 39 11.316 8.960 -1.704 281 HB3 ARG 39 2HB ARG 39 11.462 9.358 -3.405 282 HG2 ARG 39 1HG ARG 39 10.931 11.688 -3.007 283 HG3 ARG 39 2HG ARG 39 10.394 11.361 -1.371 284 HD2 ARG 39 1HD ARG 39 12.503 11.664 -0.587 285 HD3 ARG 39 2HD ARG 39 13.097 10.375 -1.615 286 HE ARG 39 HE ARG 39 12.676 12.784 -3.162 287 HH11 ARG 39 1HH1 ARG 39 14.891 11.307 -0.861 288 HH12 ARG 39 2HH1 ARG 39 16.262 12.217 -1.402 289 HH21 ARG 39 1HH2 ARG 39 14.485 13.984 -3.876 290 HH22 ARG 39 2HH2 ARG 39 16.029 13.750 -3.129 291 H ILE 40 H ILE 40 9.243 9.227 -5.278 292 HA ILE 40 HA ILE 40 8.140 11.938 -5.381 293 HB ILE 40 HB ILE 40 8.802 11.821 -7.779 294 HG12 ILE 40 1HG1 ILE 40 10.357 9.341 -7.012 295 HG13 ILE 40 2HG1 ILE 40 8.806 9.276 -7.826 296 HG21 ILE 40 1HG2 ILE 40 10.859 11.577 -5.583 297 HG22 ILE 40 2HG2 ILE 40 11.301 11.948 -7.267 298 HG23 ILE 40 3HG2 ILE 40 10.226 13.044 -6.367 299 HD11 ILE 40 1HD1 ILE 40 9.886 10.953 -9.540 300 HD12 ILE 40 2HD1 ILE 40 11.428 10.404 -8.842 301 HD13 ILE 40 3HD1 ILE 40 10.337 9.233 -9.620 302 H VAL 41 H VAL 41 6.191 12.375 -6.476 303 HA VAL 41 HA VAL 41 4.331 10.233 -6.412 304 HB VAL 41 HB VAL 41 2.845 12.038 -7.442 305 HG11 VAL 41 1HG1 VAL 41 4.240 12.396 -4.775 306 HG12 VAL 41 2HG1 VAL 41 2.824 13.353 -5.273 307 HG13 VAL 41 3HG1 VAL 41 2.690 11.586 -5.108 308 HG21 VAL 41 1HG2 VAL 41 3.654 14.045 -8.036 309 HG22 VAL 41 2HG2 VAL 41 4.676 14.161 -6.583 310 HG23 VAL 41 3HG2 VAL 41 5.256 13.269 -8.010 311 H ARG 42 H ARG 42 6.276 11.878 -8.918 312 HA ARG 42 HA ARG 42 4.845 10.782 -11.057 313 HB2 ARG 42 1HB ARG 42 7.485 12.189 -10.686 314 HB3 ARG 42 2HB ARG 42 7.259 11.308 -12.184 315 HG2 ARG 42 1HG ARG 42 4.971 12.563 -12.356 316 HG3 ARG 42 2HG ARG 42 5.599 13.618 -11.106 317 HD2 ARG 42 1HD ARG 42 7.728 13.759 -12.720 318 HD3 ARG 42 2HD ARG 42 6.582 13.251 -13.945 319 HE ARG 42 HE ARG 42 6.707 15.861 -12.683 320 HH11 ARG 42 1HH1 ARG 42 4.480 13.540 -14.110 321 HH12 ARG 42 2HH1 ARG 42 3.310 14.739 -14.549 322 HH21 ARG 42 1HH2 ARG 42 5.163 17.443 -13.261 323 HH22 ARG 42 2HH2 ARG 42 3.701 16.974 -14.062 324 H GLY 43 H GLY 43 4.774 8.614 -11.563 325 HA2 GLY 43 1HA GLY 43 5.934 6.729 -12.410 326 HA3 GLY 43 2HA GLY 43 7.277 7.074 -11.338 327 H ASN 44 H ASN 44 6.301 7.366 -8.841 328 HA ASN 44 HA ASN 44 5.254 4.738 -8.347 329 HB2 ASN 44 1HB ASN 44 5.906 6.815 -6.217 330 HB3 ASN 44 2HB ASN 44 5.980 5.069 -6.080 331 HD21 ASN 44 1HD2 ASN 44 7.581 7.955 -7.027 332 HD22 ASN 44 2HD2 ASN 44 9.115 7.284 -7.473 333 H GLU 45 H GLU 45 3.243 4.373 -7.176 334 HA GLU 45 HA GLU 45 1.238 6.203 -7.719 335 HB2 GLU 45 1HB GLU 45 1.465 3.678 -6.094 336 HB3 GLU 45 2HB GLU 45 0.033 4.664 -5.874 337 HG2 GLU 45 1HG GLU 45 -0.020 2.812 -7.715 338 HG3 GLU 45 2HG GLU 45 -0.675 4.389 -8.112 339 H ILE 46 H ILE 46 2.512 5.164 -4.465 340 HA ILE 46 HA ILE 46 1.547 7.715 -3.413 341 HB ILE 46 HB ILE 46 2.387 5.172 -2.016 342 HG12 ILE 46 1HG1 ILE 46 -0.395 6.330 -2.296 343 HG13 ILE 46 2HG1 ILE 46 0.250 5.119 -3.387 344 HG21 ILE 46 1HG2 ILE 46 1.603 7.882 -1.013 345 HG22 ILE 46 2HG2 ILE 46 1.108 6.437 -0.098 346 HG23 ILE 46 3HG2 ILE 46 2.833 6.747 -0.408 347 HD11 ILE 46 1HD1 ILE 46 -0.335 4.869 -0.423 348 HD12 ILE 46 2HD1 ILE 46 -0.872 3.825 -1.760 349 HD13 ILE 46 3HD1 ILE 46 0.820 3.767 -1.211 350 H ALA 47 H ALA 47 2.922 9.219 -2.458 351 HA ALA 47 HA ALA 47 5.778 8.539 -2.555 352 HB1 ALA 47 1HB ALA 47 4.330 10.463 -4.141 353 HB2 ALA 47 2HB ALA 47 5.440 11.325 -3.049 354 HB3 ALA 47 3HB ALA 47 6.069 10.084 -4.158 355 H ILE 48 H ILE 48 6.952 9.152 -0.755 356 HA ILE 48 HA ILE 48 5.503 10.782 1.210 357 HB ILE 48 HB ILE 48 7.063 8.239 1.644 358 HG12 ILE 48 1HG1 ILE 48 4.365 8.703 2.804 359 HG13 ILE 48 2HG1 ILE 48 4.436 8.514 1.063 360 HG21 ILE 48 1HG2 ILE 48 7.606 10.132 3.278 361 HG22 ILE 48 2HG2 ILE 48 5.930 9.958 3.849 362 HG23 ILE 48 3HG2 ILE 48 7.055 8.584 3.963 363 HD11 ILE 48 1HD1 ILE 48 5.711 6.575 3.047 364 HD12 ILE 48 2HD1 ILE 48 4.126 6.335 2.273 365 HD13 ILE 48 3HD1 ILE 48 5.605 6.366 1.283 366 H LYS 49 H LYS 49 6.542 12.666 1.539 367 HA LYS 49 HA LYS 49 9.313 12.859 0.739 368 HB2 LYS 49 1HB LYS 49 7.164 14.830 1.498 369 HB3 LYS 49 2HB LYS 49 8.844 15.322 1.434 370 HG2 LYS 49 1HG LYS 49 7.689 13.781 -0.899 371 HG3 LYS 49 2HG LYS 49 7.292 15.479 -0.732 372 HD2 LYS 49 1HD LYS 49 9.509 16.182 -1.062 373 HD3 LYS 49 2HD LYS 49 10.190 14.679 -0.471 374 HE2 LYS 49 1HE LYS 49 9.524 13.497 -2.519 375 HE3 LYS 49 2HE LYS 49 8.633 14.894 -3.090 376 HZ1 LYS 49 1HZ LYS 49 10.637 15.076 -4.146 377 HZ2 LYS 49 2HZ LYS 49 10.882 16.058 -2.864 378 HZ3 LYS 49 3HZ LYS 49 11.518 14.554 -2.874 379 H ASP 50 H ASP 50 9.952 11.247 2.465 380 HA ASP 50 HA ASP 50 10.214 12.671 4.997 381 HB2 ASP 50 1HB ASP 50 8.896 10.750 5.473 382 HB3 ASP 50 2HB ASP 50 9.783 9.744 4.345 383 H ALA 51 H ALA 51 11.766 11.728 2.184 384 HA ALA 51 HA ALA 51 13.920 11.761 1.614 385 HB1 ALA 51 1HB ALA 51 14.957 11.716 4.421 386 HB2 ALA 51 2HB ALA 51 15.496 12.671 3.019 387 HB3 ALA 51 3HB ALA 51 14.033 13.150 3.913 388 H GLY 52 H GLY 52 13.478 9.871 4.692 389 HA2 GLY 52 1HA GLY 52 15.251 7.852 4.289 390 HA3 GLY 52 2HA GLY 52 13.700 7.661 5.081 391 H ILE 53 H ILE 53 12.298 8.532 2.458 392 HA ILE 53 HA ILE 53 12.390 5.869 1.268 393 HB ILE 53 HB ILE 53 10.360 8.097 1.088 394 HG12 ILE 53 1HG1 ILE 53 9.631 5.486 2.258 395 HG13 ILE 53 2HG1 ILE 53 10.808 6.393 3.186 396 HG21 ILE 53 1HG2 ILE 53 9.066 6.830 -0.338 397 HG22 ILE 53 2HG2 ILE 53 10.705 6.490 -0.944 398 HG23 ILE 53 3HG2 ILE 53 9.877 5.307 0.097 399 HD11 ILE 53 1HD1 ILE 53 8.915 8.332 2.399 400 HD12 ILE 53 2HD1 ILE 53 7.949 6.900 2.830 401 HD13 ILE 53 3HD1 ILE 53 9.078 7.602 4.014 402 H SER 54 H SER 54 12.882 5.509 -0.901 403 HA SER 54 HA SER 54 14.072 7.829 -2.191 404 HB2 SER 54 1HB SER 54 15.242 5.442 -1.663 405 HB3 SER 54 2HB SER 54 14.545 5.050 -3.223 406 HG SER 54 HG SER 54 16.782 5.994 -3.219 407 H THR 55 H THR 55 13.869 7.870 -4.664 408 HA THR 55 HA THR 55 11.303 8.060 -5.492 409 HB THR 55 HB THR 55 12.423 7.646 -7.834 410 HG1 THR 55 HG1 THR 55 14.834 7.638 -7.445 411 HG21 THR 55 1HG2 THR 55 12.286 9.950 -6.956 412 HG22 THR 55 2HG2 THR 55 13.630 9.628 -5.834 413 HG23 THR 55 3HG2 THR 55 13.926 9.672 -7.589 414 H LYS 56 H LYS 56 13.393 5.133 -5.960 415 HA LYS 56 HA LYS 56 10.884 3.647 -6.324 416 HB2 LYS 56 1HB LYS 56 13.596 3.319 -7.613 417 HB3 LYS 56 2HB LYS 56 12.434 2.008 -7.568 418 HG2 LYS 56 1HG LYS 56 11.118 2.964 -9.171 419 HG3 LYS 56 2HG LYS 56 11.195 4.545 -8.419 420 HD2 LYS 56 1HD LYS 56 13.800 4.174 -9.402 421 HD3 LYS 56 2HD LYS 56 12.797 3.451 -10.644 422 HE2 LYS 56 1HE LYS 56 11.506 5.894 -9.869 423 HE3 LYS 56 2HE LYS 56 13.208 6.266 -10.058 424 HZ1 LYS 56 1HZ LYS 56 13.118 5.846 -12.238 425 HZ2 LYS 56 2HZ LYS 56 12.067 4.603 -12.108 426 HZ3 LYS 56 3HZ LYS 56 11.521 6.142 -12.069 427 H HIS 57 H HIS 57 10.911 3.733 -3.868 428 HA HIS 57 HA HIS 57 12.966 2.297 -2.546 429 HB2 HIS 57 1HB HIS 57 11.655 4.091 -1.484 430 HB3 HIS 57 2HB HIS 57 10.201 3.122 -1.615 431 HD2 HIS 57 HD2 HIS 57 11.185 0.289 -0.360 432 HE1 HIS 57 HE1 HIS 57 12.548 2.587 2.952 433 HE2 HIS 57 HE2 HIS 57 11.862 0.244 2.096 434 H LEU 58 H LEU 58 9.429 1.567 -3.015 435 HA LEU 58 HA LEU 58 10.080 -1.138 -3.717 436 HB2 LEU 58 1HB LEU 58 8.748 -2.134 -1.889 437 HB3 LEU 58 2HB LEU 58 10.271 -1.431 -1.381 438 HG LEU 58 HG LEU 58 9.194 0.435 -0.363 439 HD11 LEU 58 1HD1 LEU 58 6.702 -0.505 -1.787 440 HD12 LEU 58 2HD1 LEU 58 6.660 0.630 -0.417 441 HD13 LEU 58 3HD1 LEU 58 7.529 1.067 -1.908 442 HD21 LEU 58 1HD2 LEU 58 7.791 -2.171 0.255 443 HD22 LEU 58 2HD2 LEU 58 9.205 -1.458 1.068 444 HD23 LEU 58 3HD2 LEU 58 7.604 -0.697 1.235 445 H ARG 59 H ARG 59 7.854 -2.394 -3.973 446 HA ARG 59 HA ARG 59 5.835 -0.477 -4.774 447 HB2 ARG 59 1HB ARG 59 5.545 -1.493 -6.949 448 HB3 ARG 59 2HB ARG 59 7.264 -1.206 -6.772 449 HG2 ARG 59 1HG ARG 59 7.360 -3.655 -5.824 450 HG3 ARG 59 2HG ARG 59 5.768 -3.840 -6.534 451 HD2 ARG 59 1HD ARG 59 6.567 -3.579 -8.744 452 HD3 ARG 59 2HD ARG 59 7.991 -2.691 -8.238 453 HE ARG 59 HE ARG 59 8.020 -5.382 -7.160 454 HH11 ARG 59 1HH1 ARG 59 8.611 -3.538 -10.098 455 HH12 ARG 59 2HH1 ARG 59 9.725 -4.693 -10.751 456 HH21 ARG 59 1HH2 ARG 59 9.490 -6.906 -8.021 457 HH22 ARG 59 2HH2 ARG 59 10.228 -6.621 -9.562 458 H ILE 60 H ILE 60 3.659 -1.288 -4.605 459 HA ILE 60 HA ILE 60 3.504 -3.849 -3.188 460 HB ILE 60 HB ILE 60 1.845 -1.345 -3.130 461 HG12 ILE 60 1HG1 ILE 60 3.188 -2.981 -0.958 462 HG13 ILE 60 2HG1 ILE 60 3.812 -1.497 -1.649 463 HG21 ILE 60 1HG2 ILE 60 0.137 -2.440 -1.869 464 HG22 ILE 60 2HG2 ILE 60 0.351 -3.337 -3.391 465 HG23 ILE 60 3HG2 ILE 60 1.034 -3.978 -1.877 466 HD11 ILE 60 1HD1 ILE 60 1.104 -1.734 -0.259 467 HD12 ILE 60 2HD1 ILE 60 2.590 -1.127 0.511 468 HD13 ILE 60 3HD1 ILE 60 1.863 -0.235 -0.847 469 H GLU 61 H GLU 61 2.321 -5.541 -4.006 470 HA GLU 61 HA GLU 61 0.633 -4.963 -6.284 471 HB2 GLU 61 1HB GLU 61 1.624 -6.852 -7.578 472 HB3 GLU 61 2HB GLU 61 2.770 -5.554 -7.310 473 HG2 GLU 61 1HG GLU 61 4.145 -7.246 -6.595 474 HG3 GLU 61 2HG GLU 61 3.276 -7.061 -5.085 475 H SER 62 H SER 62 -0.657 -7.060 -6.904 476 HA SER 62 HA SER 62 -1.141 -8.546 -4.442 477 HB2 SER 62 1HB SER 62 -3.134 -7.414 -4.478 478 HB3 SER 62 2HB SER 62 -3.000 -7.016 -6.179 479 HG SER 62 HG SER 62 -4.651 -8.762 -5.211 480 H ASP 63 H ASP 63 -1.518 -10.804 -4.679 481 HA ASP 63 HA ASP 63 -0.980 -11.758 -7.376 482 HB2 ASP 63 1HB ASP 63 0.414 -12.321 -5.123 483 HB3 ASP 63 2HB ASP 63 -0.819 -13.556 -4.965 484 H SER 64 H SER 64 -1.777 -14.553 -6.494 485 HA SER 64 HA SER 64 -4.302 -14.648 -7.387 486 HB2 SER 64 1HB SER 64 -2.559 -16.420 -5.766 487 HB3 SER 64 2HB SER 64 -4.270 -16.757 -5.586 488 HG SER 64 HG SER 64 -4.325 -16.727 -8.034 489 H GLY 65 H GLY 65 -5.763 -13.085 -6.587 490 HA2 GLY 65 1HA GLY 65 -7.030 -11.964 -5.075 491 HA3 GLY 65 2HA GLY 65 -7.450 -13.588 -4.570 492 H ASN 66 H ASN 66 -4.354 -11.712 -4.254 493 HA ASN 66 HA ASN 66 -4.782 -11.503 -1.437 494 HB2 ASN 66 1HB ASN 66 -2.676 -13.332 -2.657 495 HB3 ASN 66 2HB ASN 66 -2.368 -12.563 -1.112 496 HD21 ASN 66 1HD2 ASN 66 -3.071 -15.374 -2.214 497 HD22 ASN 66 2HD2 ASN 66 -4.249 -15.986 -1.102 498 H TRP 67 H TRP 67 -2.800 -10.260 -0.441 499 HA TRP 67 HA TRP 67 -1.647 -8.532 -2.523 500 HB2 TRP 67 1HB TRP 67 -2.496 -7.893 0.305 501 HB3 TRP 67 2HB TRP 67 -1.529 -6.821 -0.688 502 HD1 TRP 67 HD1 TRP 67 -5.123 -8.190 -0.428 503 HE1 TRP 67 HE1 TRP 67 -6.801 -6.752 -1.871 504 HE3 TRP 67 HE3 TRP 67 -1.564 -5.359 -2.703 505 HZ2 TRP 67 HZ2 TRP 67 -6.459 -4.640 -3.759 506 HZ3 TRP 67 HZ3 TRP 67 -2.321 -3.631 -4.333 507 HH2 TRP 67 HH2 TRP 67 -4.674 -3.250 -4.873 508 H VAL 68 H VAL 68 0.603 -8.031 -2.329 509 HA VAL 68 HA VAL 68 2.035 -9.328 -0.151 510 HB VAL 68 HB VAL 68 3.326 -10.691 -1.452 511 HG11 VAL 68 1HG1 VAL 68 1.900 -12.020 -2.858 512 HG12 VAL 68 2HG1 VAL 68 0.917 -11.397 -1.512 513 HG13 VAL 68 3HG1 VAL 68 0.794 -10.651 -3.123 514 HG21 VAL 68 1HG2 VAL 68 3.233 -10.370 -4.088 515 HG22 VAL 68 2HG2 VAL 68 2.801 -8.705 -3.630 516 HG23 VAL 68 3HG2 VAL 68 4.335 -9.413 -3.070 517 H ILE 69 H ILE 69 4.252 -8.479 0.084 518 HA ILE 69 HA ILE 69 4.574 -5.909 -1.299 519 HB ILE 69 HB ILE 69 3.749 -5.568 0.974 520 HG12 ILE 69 1HG1 ILE 69 6.528 -4.648 1.304 521 HG13 ILE 69 2HG1 ILE 69 5.846 -4.294 -0.271 522 HG21 ILE 69 1HG2 ILE 69 4.509 -7.537 2.101 523 HG22 ILE 69 2HG2 ILE 69 6.213 -7.126 1.791 524 HG23 ILE 69 3HG2 ILE 69 5.243 -6.126 2.900 525 HD11 ILE 69 1HD1 ILE 69 3.724 -3.599 1.308 526 HD12 ILE 69 2HD1 ILE 69 5.074 -3.242 2.412 527 HD13 ILE 69 3HD1 ILE 69 4.998 -2.457 0.816 528 H GLN 70 H GLN 70 6.693 -5.360 -1.918 529 HA GLN 70 HA GLN 70 8.742 -7.277 -1.220 530 HB2 GLN 70 1HB GLN 70 7.923 -8.193 -3.303 531 HB3 GLN 70 2HB GLN 70 7.880 -6.615 -4.063 532 HG2 GLN 70 1HG GLN 70 10.142 -6.604 -4.496 533 HG3 GLN 70 2HG GLN 70 10.546 -7.375 -2.975 534 HE21 GLN 70 1HE2 GLN 70 9.804 -9.693 -2.767 535 HE22 GLN 70 2HE2 GLN 70 10.051 -10.738 -4.127 536 H ASP 71 H ASP 71 10.504 -6.148 -0.526 537 HA ASP 71 HA ASP 71 10.573 -3.355 -0.936 538 HB2 ASP 71 1HB ASP 71 11.448 -4.028 1.144 539 HB3 ASP 71 2HB ASP 71 12.280 -5.412 0.464 540 H LEU 72 H LEU 72 11.271 -2.523 -2.916 541 HA LEU 72 HA LEU 72 12.848 -4.058 -4.695 542 HB2 LEU 72 1HB LEU 72 11.900 -1.199 -4.657 543 HB3 LEU 72 2HB LEU 72 12.922 -1.828 -5.934 544 HG LEU 72 HG LEU 72 11.262 -3.192 -6.800 545 HD11 LEU 72 1HD1 LEU 72 9.319 -4.013 -5.645 546 HD12 LEU 72 2HD1 LEU 72 10.759 -4.333 -4.648 547 HD13 LEU 72 3HD1 LEU 72 9.669 -2.989 -4.232 548 HD21 LEU 72 1HD2 LEU 72 9.892 -0.749 -5.657 549 HD22 LEU 72 2HD2 LEU 72 10.641 -0.940 -7.261 550 HD23 LEU 72 3HD2 LEU 72 9.152 -1.830 -6.862 551 H GLY 73 H GLY 73 14.474 -4.488 -2.803 552 HA2 GLY 73 1HA GLY 73 16.426 -4.010 -1.735 553 HA3 GLY 73 2HA GLY 73 16.931 -3.640 -3.372 554 H SER 74 H SER 74 14.625 -1.888 -1.185 555 HA SER 74 HA SER 74 15.627 0.589 -1.933 556 HB2 SER 74 1HB SER 74 13.343 0.077 -0.942 557 HB3 SER 74 2HB SER 74 14.113 -0.098 0.623 558 HG SER 74 HG SER 74 14.361 2.295 -0.984 559 H SER 75 H SER 75 16.314 2.221 0.025 560 HA SER 75 HA SER 75 18.744 1.047 1.016 561 HB2 SER 75 1HB SER 75 18.050 3.571 0.013 562 HB3 SER 75 2HB SER 75 18.228 3.859 1.732 563 HG SER 75 HG SER 75 20.356 2.778 1.579 564 H ASN 76 H ASN 76 16.759 -0.206 2.350 565 HA ASN 76 HA ASN 76 17.222 0.592 4.994 566 HB2 ASN 76 1HB ASN 76 14.881 1.724 3.713 567 HB3 ASN 76 2HB ASN 76 14.328 0.551 4.892 568 HD21 ASN 76 1HD2 ASN 76 15.069 3.688 4.440 569 HD22 ASN 76 2HD2 ASN 76 15.489 4.187 6.045 570 H GLY 77 H GLY 77 14.854 -1.042 2.762 571 HA2 GLY 77 1HA GLY 77 14.812 -3.400 2.538 572 HA3 GLY 77 2HA GLY 77 15.335 -3.568 4.202 573 H THR 78 H THR 78 13.213 -1.023 4.353 574 HA THR 78 HA THR 78 11.147 -0.799 5.147 575 HB THR 78 HB THR 78 10.546 -3.184 3.320 576 HG1 THR 78 HG1 THR 78 11.260 -1.683 1.856 577 HG21 THR 78 1HG2 THR 78 8.376 -2.721 3.877 578 HG22 THR 78 2HG2 THR 78 8.879 -1.333 4.872 579 HG23 THR 78 3HG2 THR 78 8.602 -1.123 3.126 580 H LEU 79 H LEU 79 9.572 -1.562 6.686 581 HA LEU 79 HA LEU 79 10.385 -4.084 7.947 582 HB2 LEU 79 1HB LEU 79 9.953 -1.388 9.207 583 HB3 LEU 79 2HB LEU 79 9.768 -2.868 10.127 584 HG LEU 79 HG LEU 79 12.301 -2.150 8.633 585 HD11 LEU 79 1HD1 LEU 79 12.150 -0.422 10.194 586 HD12 LEU 79 2HD1 LEU 79 11.431 -1.473 11.438 587 HD13 LEU 79 3HD1 LEU 79 13.150 -1.648 11.010 588 HD21 LEU 79 1HD2 LEU 79 11.590 -4.587 9.455 589 HD22 LEU 79 2HD2 LEU 79 13.270 -4.002 9.521 590 HD23 LEU 79 3HD2 LEU 79 12.259 -3.974 10.986 591 H LEU 80 H LEU 80 8.703 -5.370 8.756 592 HA LEU 80 HA LEU 80 6.011 -4.305 8.276 593 HB2 LEU 80 1HB LEU 80 6.735 -5.789 6.441 594 HB3 LEU 80 2HB LEU 80 6.996 -7.079 7.597 595 HG LEU 80 HG LEU 80 4.583 -7.035 8.175 596 HD11 LEU 80 1HD1 LEU 80 3.287 -5.782 6.134 597 HD12 LEU 80 2HD1 LEU 80 3.540 -5.094 7.756 598 HD13 LEU 80 3HD1 LEU 80 4.641 -4.665 6.425 599 HD21 LEU 80 1HD2 LEU 80 4.043 -7.547 5.478 600 HD22 LEU 80 2HD2 LEU 80 5.777 -7.896 5.682 601 HD23 LEU 80 3HD2 LEU 80 4.578 -8.709 6.716 602 H ASN 81 H ASN 81 5.285 -3.949 10.325 603 HA ASN 81 HA ASN 81 4.547 -4.407 12.315 604 HB2 ASN 81 1HB ASN 81 5.274 -7.336 11.777 605 HB3 ASN 81 2HB ASN 81 4.229 -6.771 13.066 606 HD21 ASN 81 1HD2 ASN 81 4.303 -8.073 10.062 607 HD22 ASN 81 2HD2 ASN 81 2.747 -7.619 9.452 608 H SER 82 H SER 82 7.141 -6.944 11.890 609 HA SER 82 HA SER 82 8.961 -5.446 13.464 610 HB2 SER 82 1HB SER 82 7.334 -7.613 14.699 611 HB3 SER 82 2HB SER 82 9.058 -7.740 14.991 612 HG SER 82 HG SER 82 7.472 -6.293 16.410 613 H ASN 83 H ASN 83 9.344 -6.139 10.905 614 HA ASN 83 HA ASN 83 11.495 -7.958 11.087 615 HB2 ASN 83 1HB ASN 83 9.465 -9.497 10.779 616 HB3 ASN 83 2HB ASN 83 9.182 -8.725 9.232 617 HD21 ASN 83 1HD2 ASN 83 10.553 -11.298 10.725 618 HD22 ASN 83 2HD2 ASN 83 11.740 -11.780 9.560 619 H ALA 84 H ALA 84 12.968 -7.504 9.353 620 HA ALA 84 HA ALA 84 12.245 -5.238 7.717 621 HB1 ALA 84 1HB ALA 84 14.645 -6.447 8.813 622 HB2 ALA 84 2HB ALA 84 14.830 -6.181 7.063 623 HB3 ALA 84 3HB ALA 84 14.414 -4.819 8.131 624 H LEU 85 H LEU 85 11.437 -5.395 5.687 625 HA LEU 85 HA LEU 85 10.995 -7.903 4.510 626 HB2 LEU 85 1HB LEU 85 10.857 -5.116 3.349 627 HB3 LEU 85 2HB LEU 85 10.247 -6.562 2.570 628 HG LEU 85 HG LEU 85 9.244 -5.323 5.144 629 HD11 LEU 85 1HD1 LEU 85 7.494 -5.809 2.784 630 HD12 LEU 85 2HD1 LEU 85 7.472 -4.497 3.987 631 HD13 LEU 85 3HD1 LEU 85 8.676 -4.482 2.677 632 HD21 LEU 85 1HD2 LEU 85 9.174 -7.740 5.371 633 HD22 LEU 85 2HD2 LEU 85 7.530 -7.089 5.161 634 HD23 LEU 85 3HD2 LEU 85 8.352 -7.888 3.799 635 H ASP 86 H ASP 86 11.790 -8.571 2.304 636 HA ASP 86 HA ASP 86 14.573 -7.750 2.007 637 HB2 ASP 86 1HB ASP 86 13.571 -10.316 2.671 638 HB3 ASP 86 2HB ASP 86 13.966 -10.431 0.967 639 HA PRO 87 HA PRO 87 13.477 -7.241 -2.208 640 HB2 PRO 87 1HB PRO 87 15.821 -7.727 -3.526 641 HB3 PRO 87 2HB PRO 87 15.473 -6.212 -2.716 642 HG2 PRO 87 1HG PRO 87 17.258 -8.407 -1.857 643 HG3 PRO 87 2HG PRO 87 17.217 -6.745 -1.304 644 HD2 PRO 87 1HD PRO 87 16.189 -9.038 0.078 645 HD3 PRO 87 2HD PRO 87 16.047 -7.364 0.575 646 H GLU 88 H GLU 88 15.675 -10.016 -2.245 647 HA GLU 88 HA GLU 88 14.303 -11.220 -4.334 648 HB2 GLU 88 1HB GLU 88 16.262 -12.236 -2.251 649 HB3 GLU 88 2HB GLU 88 15.569 -13.325 -3.436 650 HG2 GLU 88 1HG GLU 88 16.328 -11.364 -5.134 651 HG3 GLU 88 2HG GLU 88 17.470 -11.025 -3.849 652 H THR 89 H THR 89 13.733 -11.103 -0.859 653 HA THR 89 HA THR 89 11.831 -13.322 -1.032 654 HB THR 89 HB THR 89 12.539 -11.739 1.464 655 HG1 THR 89 HG1 THR 89 14.361 -13.400 1.501 656 HG21 THR 89 1HG2 THR 89 11.010 -14.037 1.015 657 HG22 THR 89 2HG2 THR 89 12.607 -14.704 1.430 658 HG23 THR 89 3HG2 THR 89 11.778 -13.610 2.563 659 H SER 90 H SER 90 9.626 -13.121 -0.597 660 HA SER 90 HA SER 90 8.717 -10.352 -0.516 661 HB2 SER 90 1HB SER 90 6.872 -10.933 -2.031 662 HB3 SER 90 2HB SER 90 8.410 -11.287 -2.793 663 HG SER 90 HG SER 90 6.340 -13.013 -2.082 664 H VAL 91 H VAL 91 6.787 -9.973 0.737 665 HA VAL 91 HA VAL 91 5.939 -12.300 2.320 666 HB VAL 91 HB VAL 91 6.036 -9.461 3.323 667 HG11 VAL 91 1HG1 VAL 91 6.428 -11.526 5.298 668 HG12 VAL 91 2HG1 VAL 91 5.133 -10.312 5.176 669 HG13 VAL 91 3HG1 VAL 91 4.969 -11.875 4.341 670 HG21 VAL 91 1HG2 VAL 91 8.165 -9.977 4.421 671 HG22 VAL 91 2HG2 VAL 91 8.199 -11.572 3.631 672 HG23 VAL 91 3HG2 VAL 91 8.317 -10.090 2.651 673 H ASN 92 H ASN 92 3.693 -12.384 2.890 674 HA ASN 92 HA ASN 92 2.093 -11.016 0.939 675 HB2 ASN 92 1HB ASN 92 0.292 -12.536 1.698 676 HB3 ASN 92 2HB ASN 92 1.755 -13.459 1.412 677 HD21 ASN 92 1HD2 ASN 92 -0.679 -12.667 3.589 678 HD22 ASN 92 2HD2 ASN 92 -0.043 -13.380 5.033 679 H LEU 93 H LEU 93 0.945 -9.142 1.456 680 HA LEU 93 HA LEU 93 1.183 -7.906 3.921 681 HB2 LEU 93 1HB LEU 93 -0.594 -7.543 1.537 682 HB3 LEU 93 2HB LEU 93 -0.882 -6.604 2.988 683 HG LEU 93 HG LEU 93 1.694 -6.646 1.391 684 HD11 LEU 93 1HD1 LEU 93 1.105 -4.361 0.744 685 HD12 LEU 93 2HD1 LEU 93 -0.125 -5.529 0.203 686 HD13 LEU 93 3HD1 LEU 93 -0.437 -4.503 1.623 687 HD21 LEU 93 1HD2 LEU 93 1.531 -4.423 3.168 688 HD22 LEU 93 2HD2 LEU 93 1.232 -5.908 4.102 689 HD23 LEU 93 3HD2 LEU 93 2.719 -5.748 3.138 690 H GLY 94 H GLY 94 -0.960 -7.149 5.167 691 HA2 GLY 94 1HA GLY 94 -2.997 -9.150 5.416 692 HA3 GLY 94 2HA GLY 94 -1.822 -9.235 6.713 693 H ASP 95 H ASP 95 -4.652 -8.497 6.954 694 HA ASP 95 HA ASP 95 -4.883 -5.719 7.110 695 HB2 ASP 95 1HB ASP 95 -6.951 -6.802 7.021 696 HB3 ASP 95 2HB ASP 95 -6.432 -8.110 8.065 697 H GLY 96 H GLY 96 -3.858 -4.415 8.634 698 HA2 GLY 96 1HA GLY 96 -3.565 -3.748 10.865 699 HA3 GLY 96 2HA GLY 96 -3.617 -5.421 11.385 700 H ASP 97 H ASP 97 -1.788 -4.985 8.475 701 HA ASP 97 HA ASP 97 0.594 -5.575 9.939 702 HB2 ASP 97 1HB ASP 97 -0.071 -5.304 6.978 703 HB3 ASP 97 2HB ASP 97 1.570 -5.576 7.529 704 H VAL 98 H VAL 98 2.054 -3.972 10.565 705 HA VAL 98 HA VAL 98 1.656 -1.303 9.479 706 HB VAL 98 HB VAL 98 2.979 -2.487 11.894 707 HG11 VAL 98 1HG1 VAL 98 4.632 -0.929 10.901 708 HG12 VAL 98 2HG1 VAL 98 3.408 0.363 10.936 709 HG13 VAL 98 3HG1 VAL 98 3.994 -0.349 12.458 710 HG21 VAL 98 1HG2 VAL 98 0.780 -1.949 12.388 711 HG22 VAL 98 2HG2 VAL 98 1.631 -0.464 12.877 712 HG23 VAL 98 3HG2 VAL 98 0.773 -0.526 11.319 713 H ILE 99 H ILE 99 2.922 -0.492 7.890 714 HA ILE 99 HA ILE 99 5.387 -1.967 7.308 715 HB ILE 99 HB ILE 99 3.814 -0.117 5.515 716 HG12 ILE 99 1HG1 ILE 99 3.803 -3.143 5.454 717 HG13 ILE 99 2HG1 ILE 99 2.574 -2.201 6.274 718 HG21 ILE 99 1HG2 ILE 99 5.803 -2.191 4.630 719 HG22 ILE 99 2HG2 ILE 99 5.220 -0.740 3.780 720 HG23 ILE 99 3HG2 ILE 99 6.341 -0.577 5.153 721 HD11 ILE 99 1HD1 ILE 99 2.959 -1.073 3.641 722 HD12 ILE 99 2HD1 ILE 99 2.735 -2.832 3.486 723 HD13 ILE 99 3HD1 ILE 99 1.504 -1.847 4.313 724 H LYS 100 H LYS 100 7.097 -1.066 8.342 725 HA LYS 100 HA LYS 100 7.130 1.848 8.575 726 HB2 LYS 100 1HB LYS 100 8.188 -0.409 10.179 727 HB3 LYS 100 2HB LYS 100 9.249 0.980 10.047 728 HG2 LYS 100 1HG LYS 100 7.665 2.452 11.039 729 HG3 LYS 100 2HG LYS 100 6.315 1.389 10.697 730 HD2 LYS 100 1HD LYS 100 8.529 0.902 12.743 731 HD3 LYS 100 2HD LYS 100 6.857 1.291 13.095 732 HE2 LYS 100 1HE LYS 100 6.551 -0.929 11.470 733 HE3 LYS 100 2HE LYS 100 8.063 -1.307 12.272 734 HZ1 LYS 100 1HZ LYS 100 6.932 -1.781 14.081 735 HZ2 LYS 100 2HZ LYS 100 6.270 -0.290 14.147 736 HZ3 LYS 100 3HZ LYS 100 5.521 -1.479 13.316 737 H LEU 101 H LEU 101 7.983 2.801 6.792 738 HA LEU 101 HA LEU 101 10.511 1.662 5.824 739 HB2 LEU 101 1HB LEU 101 9.919 2.102 3.585 740 HB3 LEU 101 2HB LEU 101 8.615 1.179 4.305 741 HG LEU 101 HG LEU 101 8.331 4.147 4.318 742 HD11 LEU 101 1HD1 LEU 101 9.274 3.534 2.054 743 HD12 LEU 101 2HD1 LEU 101 7.795 2.581 1.788 744 HD13 LEU 101 3HD1 LEU 101 7.687 4.339 2.046 745 HD21 LEU 101 1HD2 LEU 101 6.049 2.747 3.345 746 HD22 LEU 101 2HD2 LEU 101 6.688 1.859 4.749 747 HD23 LEU 101 3HD2 LEU 101 6.270 3.582 4.901 748 H GLY 102 H GLY 102 11.794 3.404 4.550 749 HA2 GLY 102 1HA GLY 102 12.757 5.440 4.463 750 HA3 GLY 102 2HA GLY 102 11.285 6.141 5.105 751 H GLU 103 H GLU 103 11.521 7.171 7.035 752 HA GLU 103 HA GLU 103 13.626 6.147 8.776 753 HB2 GLU 103 1HB GLU 103 12.522 8.986 8.613 754 HB3 GLU 103 2HB GLU 103 13.814 8.453 9.671 755 HG2 GLU 103 1HG GLU 103 14.853 7.586 7.324 756 HG3 GLU 103 2HG GLU 103 13.846 8.872 6.691 757 H TYR 104 H TYR 104 10.663 8.243 9.085 758 HA TYR 104 HA TYR 104 9.803 6.457 11.258 759 HB2 TYR 104 1HB TYR 104 9.789 9.521 10.936 760 HB3 TYR 104 2HB TYR 104 8.895 8.712 12.208 761 HD1 TYR 104 HD2 TYR 104 10.197 7.322 13.918 762 HD2 TYR 104 HD1 TYR 104 12.088 10.027 11.196 763 HE1 TYR 104 HE2 TYR 104 12.264 7.377 15.397 764 HE2 TYR 104 HE1 TYR 104 14.149 10.073 12.685 765 HH TYR 104 HH TYR 104 14.456 9.640 15.345 766 H THR 105 H THR 105 8.929 5.918 8.708 767 HA THR 105 HA THR 105 6.237 7.119 8.678 768 HB THR 105 HB THR 105 8.174 6.294 6.477 769 HG1 THR 105 HG1 THR 105 8.074 8.517 7.250 770 HG21 THR 105 1HG2 THR 105 5.795 7.248 5.291 771 HG22 THR 105 2HG2 THR 105 6.407 5.578 5.205 772 HG23 THR 105 3HG2 THR 105 5.239 6.035 6.469 773 H SER 106 H SER 106 4.577 5.817 9.125 774 HA SER 106 HA SER 106 5.085 2.965 8.785 775 HB2 SER 106 1HB SER 106 3.370 4.255 10.953 776 HB3 SER 106 2HB SER 106 3.685 2.541 10.772 777 HG SER 106 HG SER 106 5.309 2.950 12.120 778 H ILE 107 H ILE 107 3.415 1.753 7.800 779 HA ILE 107 HA ILE 107 1.023 3.293 7.074 780 HB ILE 107 HB ILE 107 2.467 1.336 5.287 781 HG12 ILE 107 1HG1 ILE 107 2.582 4.363 5.350 782 HG13 ILE 107 2HG1 ILE 107 3.911 3.244 5.585 783 HG21 ILE 107 1HG2 ILE 107 0.558 1.335 4.154 784 HG22 ILE 107 2HG2 ILE 107 -0.144 2.581 5.214 785 HG23 ILE 107 3HG2 ILE 107 0.831 3.058 3.803 786 HD11 ILE 107 1HD1 ILE 107 4.207 3.782 3.336 787 HD12 ILE 107 2HD1 ILE 107 3.171 2.343 3.181 788 HD13 ILE 107 3HD1 ILE 107 2.461 3.969 3.043 789 H LEU 108 H LEU 108 -0.879 2.330 7.601 790 HA LEU 108 HA LEU 108 -0.681 -0.368 8.692 791 HB2 LEU 108 1HB LEU 108 -1.756 1.833 9.760 792 HB3 LEU 108 2HB LEU 108 -3.161 1.261 8.882 793 HG LEU 108 HG LEU 108 -1.643 -0.577 10.727 794 HD11 LEU 108 1HD1 LEU 108 -3.661 0.141 12.320 795 HD12 LEU 108 2HD1 LEU 108 -2.078 0.956 12.345 796 HD13 LEU 108 3HD1 LEU 108 -3.439 1.682 11.457 797 HD21 LEU 108 1HD2 LEU 108 -3.715 -1.796 10.836 798 HD22 LEU 108 2HD2 LEU 108 -4.559 -0.534 9.907 799 HD23 LEU 108 3HD2 LEU 108 -3.297 -1.518 9.129 800 H VAL 109 H VAL 109 -1.596 -2.131 7.728 801 HA VAL 109 HA VAL 109 -2.882 -1.620 5.156 802 HB VAL 109 HB VAL 109 -1.539 -4.018 6.400 803 HG11 VAL 109 1HG1 VAL 109 -3.542 -4.769 5.167 804 HG12 VAL 109 2HG1 VAL 109 -2.971 -3.898 3.723 805 HG13 VAL 109 3HG1 VAL 109 -2.036 -5.271 4.363 806 HG21 VAL 109 1HG2 VAL 109 -0.190 -3.753 4.198 807 HG22 VAL 109 2HG2 VAL 109 -0.889 -2.117 4.150 808 HG23 VAL 109 3HG2 VAL 109 0.115 -2.615 5.533 809 H ASN 110 H ASN 110 -5.063 -1.602 5.084 810 HA ASN 110 HA ASN 110 -6.411 -3.314 7.023 811 HB2 ASN 110 1HB ASN 110 -6.766 -0.443 6.366 812 HB3 ASN 110 2HB ASN 110 -8.270 -1.337 6.271 813 HD21 ASN 110 1HD2 ASN 110 -5.398 -1.751 8.328 814 HD22 ASN 110 2HD2 ASN 110 -6.195 -1.590 9.857 815 H PHE 111 H PHE 111 -8.039 -4.669 6.125 816 HA PHE 111 HA PHE 111 -8.270 -4.545 3.220 817 HB2 PHE 111 1HB PHE 111 -8.850 -6.594 5.431 818 HB3 PHE 111 2HB PHE 111 -9.366 -6.876 3.781 819 HD1 PHE 111 HD1 PHE 111 -6.978 -5.750 2.338 820 HD2 PHE 111 HD2 PHE 111 -7.259 -8.288 5.727 821 HE1 PHE 111 HE1 PHE 111 -4.726 -6.718 1.800 822 HE2 PHE 111 HE2 PHE 111 -5.007 -9.257 5.188 823 HZ PHE 111 HZ PHE 111 -3.767 -8.460 3.231 824 H VAL 112 H VAL 112 -9.940 -3.267 2.536 825 HA VAL 112 HA VAL 112 -12.341 -3.149 4.164 826 HB VAL 112 HB VAL 112 -11.790 -1.716 1.572 827 HG11 VAL 112 1HG1 VAL 112 -14.072 -1.805 2.967 828 HG12 VAL 112 2HG1 VAL 112 -13.261 -0.501 3.868 829 HG13 VAL 112 3HG1 VAL 112 -13.530 -0.338 2.116 830 HG21 VAL 112 1HG2 VAL 112 -9.868 -1.424 3.159 831 HG22 VAL 112 2HG2 VAL 112 -10.732 0.082 2.767 832 HG23 VAL 112 3HG2 VAL 112 -11.010 -0.721 4.330 833 H SER 113 H SER 113 -13.959 -4.581 3.861 834 HA SER 113 HA SER 113 -14.104 -5.806 1.222 835 HB2 SER 113 1HB SER 113 -14.078 -6.935 3.829 836 HB3 SER 113 2HB SER 113 -15.726 -7.121 3.262 837 HG SER 113 HG SER 113 -13.541 -8.563 2.563 838 H GLY 114 H GLY 114 -15.357 -4.059 0.281 839 HA2 GLY 114 1HA GLY 114 -17.809 -4.072 -0.269 840 HA3 GLY 114 2HA GLY 114 -18.062 -3.743 1.434 841 HA PRO 115 HA PRO 115 -17.126 0.151 -0.976 842 HB2 PRO 115 1HB PRO 115 -19.587 0.975 -1.833 843 HB3 PRO 115 2HB PRO 115 -18.447 0.131 -2.862 844 HG2 PRO 115 1HG PRO 115 -20.907 -0.898 -1.587 845 HG3 PRO 115 2HG PRO 115 -20.003 -1.570 -2.929 846 HD2 PRO 115 1HD PRO 115 -19.991 -2.499 -0.216 847 HD3 PRO 115 2HD PRO 115 -19.000 -3.096 -1.532 848 H SER 116 H SER 116 -16.627 1.697 0.431 849 HA SER 116 HA SER 116 -18.834 2.653 2.010 850 HB2 SER 116 1HB SER 116 -18.066 1.064 3.588 851 HB3 SER 116 2HB SER 116 -16.383 1.298 3.157 852 HG SER 116 HG SER 116 -16.912 2.298 5.203 853 H SER 117 H SER 117 -18.680 4.685 0.991 854 HA SER 117 HA SER 117 -16.099 5.888 0.737 855 HB2 SER 117 1HB SER 117 -17.315 7.719 -0.375 856 HB3 SER 117 2HB SER 117 -17.807 6.171 -1.031 857 HG SER 117 HG SER 117 -19.529 6.488 0.897 858 H GLY 118 H GLY 118 -18.482 5.587 3.171 859 HA2 GLY 118 1HA GLY 118 -17.157 7.500 4.854 860 HA3 GLY 118 2HA GLY 118 -18.756 8.025 4.364 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -30.897 1.588 2.429 2 HA2 GLY 1 1HA GLY 1 -32.366 3.203 0.859 3 HA3 GLY 1 2HA GLY 1 -30.891 4.132 1.045 4 H SER 2 H SER 2 -32.348 1.173 -0.271 5 HA SER 2 HA SER 2 -31.654 -0.329 -1.681 6 HB2 SER 2 1HB SER 2 -30.230 2.152 -2.647 7 HB3 SER 2 2HB SER 2 -29.891 0.628 -3.443 8 HG SER 2 HG SER 2 -31.633 1.721 -4.501 9 H SER 3 H SER 3 -30.583 -1.959 -0.560 10 HA SER 3 HA SER 3 -27.693 -1.671 -0.473 11 HB2 SER 3 1HB SER 3 -27.797 -2.958 1.763 12 HB3 SER 3 2HB SER 3 -28.233 -1.261 1.799 13 HG SER 3 HG SER 3 -29.717 -3.338 2.612 14 H GLY 4 H GLY 4 -26.656 -3.961 -0.027 15 HA2 GLY 4 1HA GLY 4 -28.066 -6.325 -0.443 16 HA3 GLY 4 2HA GLY 4 -27.592 -5.733 -2.023 17 H SER 5 H SER 5 -25.443 -5.890 -2.708 18 HA SER 5 HA SER 5 -23.390 -6.588 -2.753 19 HB2 SER 5 1HB SER 5 -23.519 -4.968 -0.485 20 HB3 SER 5 2HB SER 5 -22.753 -6.419 0.129 21 HG SER 5 HG SER 5 -20.969 -6.019 -1.020 22 H SER 6 H SER 6 -22.025 -8.495 -2.364 23 HA SER 6 HA SER 6 -22.479 -10.311 -0.364 24 HB2 SER 6 1HB SER 6 -24.466 -10.456 -2.497 25 HB3 SER 6 2HB SER 6 -23.540 -11.942 -2.433 26 HG SER 6 HG SER 6 -25.439 -11.935 -1.017 27 H GLY 7 H GLY 7 -20.954 -12.056 -0.520 28 HA2 GLY 7 1HA GLY 7 -19.479 -13.436 -1.698 29 HA3 GLY 7 2HA GLY 7 -19.499 -12.327 -3.054 30 H MET 8 H MET 8 -17.071 -12.601 -2.870 31 HA MET 8 HA MET 8 -15.973 -10.332 -1.752 32 HB2 MET 8 1HB MET 8 -16.270 -12.543 0.105 33 HB3 MET 8 2HB MET 8 -14.559 -12.365 -0.231 34 HG2 MET 8 1HG MET 8 -14.851 -9.844 0.238 35 HG3 MET 8 2HG MET 8 -16.458 -10.222 0.827 36 HE1 MET 8 1HE MET 8 -15.963 -13.162 2.088 37 HE2 MET 8 2HE MET 8 -15.741 -12.662 3.782 38 HE3 MET 8 3HE MET 8 -16.969 -11.862 2.772 39 H VAL 9 H VAL 9 -14.628 -9.994 -3.478 40 HA VAL 9 HA VAL 9 -12.869 -12.233 -4.208 41 HB VAL 9 HB VAL 9 -12.920 -11.357 -6.502 42 HG11 VAL 9 1HG1 VAL 9 -15.497 -11.871 -6.847 43 HG12 VAL 9 2HG1 VAL 9 -14.360 -13.144 -6.341 44 HG13 VAL 9 3HG1 VAL 9 -15.397 -12.346 -5.135 45 HG21 VAL 9 1HG2 VAL 9 -14.186 -9.113 -5.260 46 HG22 VAL 9 2HG2 VAL 9 -13.685 -9.314 -6.956 47 HG23 VAL 9 3HG2 VAL 9 -15.317 -9.809 -6.446 48 H THR 10 H THR 10 -11.294 -11.472 -2.664 49 HA THR 10 HA THR 10 -9.476 -10.333 -2.081 50 HB THR 10 HB THR 10 -9.647 -8.979 -4.818 51 HG1 THR 10 HG1 THR 10 -9.935 -11.346 -4.892 52 HG21 THR 10 1HG2 THR 10 -7.195 -10.088 -3.399 53 HG22 THR 10 2HG2 THR 10 -7.270 -8.870 -4.694 54 HG23 THR 10 3HG2 THR 10 -7.769 -8.442 -3.040 55 HA PRO 11 HA PRO 11 -11.387 -6.780 -0.474 56 HB2 PRO 11 1HB PRO 11 -9.732 -6.461 1.677 57 HB3 PRO 11 2HB PRO 11 -11.134 -7.512 1.694 58 HG2 PRO 11 1HG PRO 11 -8.275 -8.240 1.516 59 HG3 PRO 11 2HG PRO 11 -9.638 -9.248 1.957 60 HD2 PRO 11 1HD PRO 11 -8.258 -9.233 -0.557 61 HD3 PRO 11 2HD PRO 11 -9.692 -10.156 -0.155 62 H SER 12 H SER 12 -11.007 -4.497 -0.138 63 HA SER 12 HA SER 12 -9.136 -3.641 -2.060 64 HB2 SER 12 1HB SER 12 -10.484 -1.854 -0.007 65 HB3 SER 12 2HB SER 12 -9.981 -1.439 -1.634 66 HG SER 12 HG SER 12 -11.848 -2.154 -2.403 67 H LEU 13 H LEU 13 -7.132 -2.543 -1.761 68 HA LEU 13 HA LEU 13 -5.935 -3.025 0.844 69 HB2 LEU 13 1HB LEU 13 -4.963 -3.699 -1.449 70 HB3 LEU 13 2HB LEU 13 -4.538 -2.008 -1.615 71 HG LEU 13 HG LEU 13 -2.881 -3.846 -0.600 72 HD11 LEU 13 1HD1 LEU 13 -2.858 -1.114 0.658 73 HD12 LEU 13 2HD1 LEU 13 -1.502 -2.101 0.063 74 HD13 LEU 13 3HD1 LEU 13 -2.606 -1.317 -1.092 75 HD21 LEU 13 1HD2 LEU 13 -4.246 -2.723 1.863 76 HD22 LEU 13 2HD2 LEU 13 -4.369 -4.401 1.281 77 HD23 LEU 13 3HD2 LEU 13 -2.800 -3.761 1.826 78 H ARG 14 H ARG 14 -6.165 -1.463 2.349 79 HA ARG 14 HA ARG 14 -6.161 1.268 1.347 80 HB2 ARG 14 1HB ARG 14 -8.223 0.950 2.490 81 HB3 ARG 14 2HB ARG 14 -7.499 -0.062 3.723 82 HG2 ARG 14 1HG ARG 14 -6.398 1.843 4.764 83 HG3 ARG 14 2HG ARG 14 -6.798 2.891 3.417 84 HD2 ARG 14 1HD ARG 14 -8.299 3.205 5.433 85 HD3 ARG 14 2HD ARG 14 -9.171 2.829 3.960 86 HE ARG 14 HE ARG 14 -8.502 0.407 5.406 87 HH11 ARG 14 1HH1 ARG 14 -10.749 3.115 5.372 88 HH12 ARG 14 2HH1 ARG 14 -12.008 2.246 6.184 89 HH21 ARG 14 1HH2 ARG 14 -10.163 -0.740 6.477 90 HH22 ARG 14 2HH2 ARG 14 -11.673 0.038 6.817 91 H LEU 15 H LEU 15 -4.273 2.381 1.741 92 HA LEU 15 HA LEU 15 -2.540 1.367 3.859 93 HB2 LEU 15 1HB LEU 15 -2.053 3.174 1.491 94 HB3 LEU 15 2HB LEU 15 -0.859 2.869 2.737 95 HG LEU 15 HG LEU 15 -2.116 0.674 1.074 96 HD11 LEU 15 1HD1 LEU 15 -1.005 1.652 -0.631 97 HD12 LEU 15 2HD1 LEU 15 0.096 2.546 0.445 98 HD13 LEU 15 3HD1 LEU 15 0.391 0.825 0.101 99 HD21 LEU 15 1HD2 LEU 15 -0.582 -0.787 1.994 100 HD22 LEU 15 2HD2 LEU 15 0.533 0.514 2.478 101 HD23 LEU 15 3HD2 LEU 15 -0.979 0.255 3.382 102 H VAL 16 H VAL 16 -2.921 2.242 5.827 103 HA VAL 16 HA VAL 16 -3.773 5.038 5.906 104 HB VAL 16 HB VAL 16 -3.815 2.855 8.000 105 HG11 VAL 16 1HG1 VAL 16 -3.580 5.295 8.783 106 HG12 VAL 16 2HG1 VAL 16 -5.235 5.518 8.167 107 HG13 VAL 16 3HG1 VAL 16 -4.918 4.336 9.459 108 HG21 VAL 16 1HG2 VAL 16 -5.531 3.320 5.796 109 HG22 VAL 16 2HG2 VAL 16 -5.771 2.199 7.157 110 HG23 VAL 16 3HG2 VAL 16 -6.408 3.858 7.249 111 H PHE 17 H PHE 17 -2.361 6.613 6.479 112 HA PHE 17 HA PHE 17 0.303 5.812 7.207 113 HB2 PHE 17 1HB PHE 17 -1.221 8.409 6.633 114 HB3 PHE 17 2HB PHE 17 0.437 8.465 7.197 115 HD1 PHE 17 HD1 PHE 17 2.068 6.835 5.801 116 HD2 PHE 17 HD2 PHE 17 -1.552 8.516 4.359 117 HE1 PHE 17 HE1 PHE 17 2.880 6.560 3.442 118 HE2 PHE 17 HE2 PHE 17 -0.740 8.241 2.000 119 HZ PHE 17 HZ PHE 17 1.466 7.266 1.570 120 H VAL 18 H VAL 18 0.121 4.938 9.334 121 HA VAL 18 HA VAL 18 -1.180 6.431 11.384 122 HB VAL 18 HB VAL 18 -0.025 4.694 12.833 123 HG11 VAL 18 1HG1 VAL 18 -1.863 3.429 12.573 124 HG12 VAL 18 2HG1 VAL 18 -2.322 4.594 11.308 125 HG13 VAL 18 3HG1 VAL 18 -1.495 3.081 10.867 126 HG21 VAL 18 1HG2 VAL 18 1.526 4.312 10.528 127 HG22 VAL 18 2HG2 VAL 18 1.521 3.313 12.001 128 HG23 VAL 18 3HG2 VAL 18 0.480 2.875 10.626 129 H LYS 19 H LYS 19 2.092 6.195 10.015 130 HA LYS 19 HA LYS 19 2.864 8.374 11.802 131 HB2 LYS 19 1HB LYS 19 4.505 5.872 11.305 132 HB3 LYS 19 2HB LYS 19 5.101 7.319 12.093 133 HG2 LYS 19 1HG LYS 19 2.630 6.663 13.382 134 HG3 LYS 19 2HG LYS 19 3.513 5.158 13.216 135 HD2 LYS 19 1HD LYS 19 5.385 5.971 14.456 136 HD3 LYS 19 2HD LYS 19 4.917 7.646 14.245 137 HE2 LYS 19 1HE LYS 19 2.761 7.004 15.595 138 HE3 LYS 19 2HE LYS 19 3.642 5.560 16.053 139 HZ1 LYS 19 1HZ LYS 19 3.837 7.636 17.490 140 HZ2 LYS 19 2HZ LYS 19 5.200 6.794 17.171 141 HZ3 LYS 19 3HZ LYS 19 4.888 8.179 16.364 142 H GLY 20 H GLY 20 5.395 8.884 10.851 143 HA2 GLY 20 1HA GLY 20 6.619 9.466 9.004 144 HA3 GLY 20 2HA GLY 20 5.360 8.853 7.951 145 HA PRO 21 HA PRO 21 5.031 13.391 7.947 146 HB2 PRO 21 1HB PRO 21 5.337 13.796 5.262 147 HB3 PRO 21 2HB PRO 21 6.661 13.907 6.404 148 HG2 PRO 21 1HG PRO 21 6.052 11.749 4.477 149 HG3 PRO 21 2HG PRO 21 7.558 12.087 5.307 150 HD2 PRO 21 1HD PRO 21 5.676 10.018 5.942 151 HD3 PRO 21 2HD PRO 21 7.123 10.431 6.840 152 H ARG 22 H ARG 22 3.617 10.939 5.935 153 HA ARG 22 HA ARG 22 1.391 12.627 5.368 154 HB2 ARG 22 1HB ARG 22 1.779 9.630 4.875 155 HB3 ARG 22 2HB ARG 22 0.500 10.609 4.186 156 HG2 ARG 22 1HG ARG 22 2.897 12.001 3.570 157 HG3 ARG 22 2HG ARG 22 3.276 10.311 3.303 158 HD2 ARG 22 1HD ARG 22 2.309 11.505 1.274 159 HD3 ARG 22 2HD ARG 22 1.451 10.047 1.730 160 HE ARG 22 HE ARG 22 -0.412 11.344 2.355 161 HH11 ARG 22 1HH1 ARG 22 2.381 13.428 1.868 162 HH12 ARG 22 2HH1 ARG 22 1.462 14.894 1.955 163 HH21 ARG 22 1HH2 ARG 22 -1.624 13.277 2.470 164 HH22 ARG 22 2HH2 ARG 22 -0.831 14.807 2.300 165 H GLU 23 H GLU 23 2.394 11.083 8.120 166 HA GLU 23 HA GLU 23 0.548 9.438 9.046 167 HB2 GLU 23 1HB GLU 23 2.327 10.021 10.499 168 HB3 GLU 23 2HB GLU 23 1.986 11.736 10.395 169 HG2 GLU 23 1HG GLU 23 -0.142 11.405 11.652 170 HG3 GLU 23 2HG GLU 23 0.161 9.680 11.730 171 H GLY 24 H GLY 24 -1.653 9.411 9.126 172 HA2 GLY 24 1HA GLY 24 -3.626 10.398 10.061 173 HA3 GLY 24 2HA GLY 24 -3.036 11.980 9.591 174 H ASP 25 H ASP 25 -2.065 10.102 7.051 175 HA ASP 25 HA ASP 25 -4.494 10.760 5.607 176 HB2 ASP 25 1HB ASP 25 -1.583 10.455 4.891 177 HB3 ASP 25 2HB ASP 25 -2.756 10.084 3.643 178 H ALA 26 H ALA 26 -5.179 9.118 3.875 179 HA ALA 26 HA ALA 26 -4.153 6.442 4.179 180 HB1 ALA 26 1HB ALA 26 -7.090 6.938 4.764 181 HB2 ALA 26 2HB ALA 26 -6.154 5.441 4.990 182 HB3 ALA 26 3HB ALA 26 -5.866 6.839 6.053 183 H LEU 27 H LEU 27 -4.812 5.068 2.414 184 HA LEU 27 HA LEU 27 -6.395 6.416 0.358 185 HB2 LEU 27 1HB LEU 27 -3.739 5.077 -0.167 186 HB3 LEU 27 2HB LEU 27 -4.797 5.812 -1.356 187 HG LEU 27 HG LEU 27 -3.828 7.537 0.883 188 HD11 LEU 27 1HD1 LEU 27 -1.957 7.594 -1.333 189 HD12 LEU 27 2HD1 LEU 27 -1.656 7.461 0.416 190 HD13 LEU 27 3HD1 LEU 27 -1.986 5.999 -0.543 191 HD21 LEU 27 1HD2 LEU 27 -4.515 9.200 -0.432 192 HD22 LEU 27 2HD2 LEU 27 -3.672 8.540 -1.854 193 HD23 LEU 27 3HD2 LEU 27 -5.296 7.948 -1.428 194 H ASP 28 H ASP 28 -6.865 4.716 -1.487 195 HA ASP 28 HA ASP 28 -7.021 2.060 -0.375 196 HB2 ASP 28 1HB ASP 28 -9.156 2.854 0.331 197 HB3 ASP 28 2HB ASP 28 -9.382 3.813 -1.118 198 H TYR 29 H TYR 29 -7.358 0.434 -2.108 199 HA TYR 29 HA TYR 29 -7.515 1.450 -4.826 200 HB2 TYR 29 1HB TYR 29 -5.265 -0.273 -3.609 201 HB3 TYR 29 2HB TYR 29 -5.425 0.036 -5.327 202 HD1 TYR 29 HD1 TYR 29 -4.976 1.802 -2.059 203 HD2 TYR 29 HD2 TYR 29 -4.374 1.899 -6.293 204 HE1 TYR 29 HE1 TYR 29 -3.570 3.906 -1.818 205 HE2 TYR 29 HE2 TYR 29 -2.970 4.003 -6.039 206 HH TYR 29 HH TYR 29 -2.935 5.811 -3.193 207 H LYS 30 H LYS 30 -8.008 -0.240 -6.400 208 HA LYS 30 HA LYS 30 -9.645 -2.268 -5.230 209 HB2 LYS 30 1HB LYS 30 -10.470 -2.610 -7.386 210 HB3 LYS 30 2HB LYS 30 -10.110 -0.896 -7.342 211 HG2 LYS 30 1HG LYS 30 -8.685 -1.125 -9.088 212 HG3 LYS 30 2HG LYS 30 -7.708 -2.252 -8.169 213 HD2 LYS 30 1HD LYS 30 -8.381 -3.921 -9.543 214 HD3 LYS 30 2HD LYS 30 -10.020 -3.718 -8.956 215 HE2 LYS 30 1HE LYS 30 -9.626 -1.579 -10.785 216 HE3 LYS 30 2HE LYS 30 -8.885 -2.971 -11.550 217 HZ1 LYS 30 1HZ LYS 30 -11.216 -3.903 -10.512 218 HZ2 LYS 30 2HZ LYS 30 -11.618 -2.440 -11.116 219 HZ3 LYS 30 3HZ LYS 30 -10.926 -3.560 -12.083 220 HA PRO 31 HA PRO 31 -6.880 -5.575 -5.407 221 HB2 PRO 31 1HB PRO 31 -8.447 -7.705 -6.098 222 HB3 PRO 31 2HB PRO 31 -8.397 -7.037 -4.478 223 HG2 PRO 31 1HG PRO 31 -10.501 -6.755 -6.536 224 HG3 PRO 31 2HG PRO 31 -10.608 -6.470 -4.810 225 HD2 PRO 31 1HD PRO 31 -10.413 -4.482 -6.868 226 HD3 PRO 31 2HD PRO 31 -10.403 -4.204 -5.138 227 H GLY 32 H GLY 32 -5.202 -6.134 -6.647 228 HA2 GLY 32 1HA GLY 32 -4.376 -7.188 -8.573 229 HA3 GLY 32 2HA GLY 32 -5.844 -6.782 -9.440 230 H SER 33 H SER 33 -4.594 -4.234 -7.405 231 HA SER 33 HA SER 33 -3.498 -2.982 -9.802 232 HB2 SER 33 1HB SER 33 -5.519 -2.094 -7.950 233 HB3 SER 33 2HB SER 33 -4.137 -1.030 -7.778 234 HG SER 33 HG SER 33 -5.978 -0.868 -9.649 235 H THR 34 H THR 34 -1.310 -2.626 -9.730 236 HA THR 34 HA THR 34 0.105 -3.084 -7.276 237 HB THR 34 HB THR 34 0.909 -2.290 -10.121 238 HG1 THR 34 HG1 THR 34 1.012 -4.670 -8.403 239 HG21 THR 34 1HG2 THR 34 2.614 -1.645 -8.269 240 HG22 THR 34 2HG2 THR 34 2.712 -3.386 -7.913 241 HG23 THR 34 3HG2 THR 34 3.195 -2.777 -9.514 242 H ILE 35 H ILE 35 0.575 -1.664 -5.728 243 HA ILE 35 HA ILE 35 0.300 1.167 -6.431 244 HB ILE 35 HB ILE 35 0.089 -0.272 -3.786 245 HG12 ILE 35 1HG1 ILE 35 -2.219 1.265 -4.492 246 HG13 ILE 35 2HG1 ILE 35 -1.808 0.246 -5.857 247 HG21 ILE 35 1HG2 ILE 35 -0.680 2.578 -3.983 248 HG22 ILE 35 2HG2 ILE 35 0.095 1.678 -2.657 249 HG23 ILE 35 3HG2 ILE 35 1.066 2.236 -4.041 250 HD11 ILE 35 1HD1 ILE 35 -2.410 -0.600 -3.002 251 HD12 ILE 35 2HD1 ILE 35 -3.213 -1.117 -4.504 252 HD13 ILE 35 3HD1 ILE 35 -1.567 -1.685 -4.133 253 H ARG 36 H ARG 36 2.240 1.981 -7.061 254 HA ARG 36 HA ARG 36 4.608 0.910 -5.876 255 HB2 ARG 36 1HB ARG 36 4.099 3.045 -8.000 256 HB3 ARG 36 2HB ARG 36 5.713 2.662 -7.434 257 HG2 ARG 36 1HG ARG 36 5.527 0.358 -8.202 258 HG3 ARG 36 2HG ARG 36 3.814 0.538 -8.523 259 HD2 ARG 36 1HD ARG 36 4.616 0.858 -10.679 260 HD3 ARG 36 2HD ARG 36 4.663 2.521 -10.127 261 HE ARG 36 HE ARG 36 7.004 2.447 -10.163 262 HH11 ARG 36 1HH1 ARG 36 5.742 -0.837 -10.245 263 HH12 ARG 36 2HH1 ARG 36 7.290 -1.561 -10.529 264 HH21 ARG 36 1HH2 ARG 36 9.046 1.492 -10.537 265 HH22 ARG 36 2HH2 ARG 36 9.182 -0.227 -10.696 266 H VAL 37 H VAL 37 5.042 1.636 -3.796 267 HA VAL 37 HA VAL 37 4.413 4.398 -3.144 268 HB VAL 37 HB VAL 37 5.418 2.109 -1.442 269 HG11 VAL 37 1HG1 VAL 37 5.040 3.436 0.459 270 HG12 VAL 37 2HG1 VAL 37 5.847 4.536 -0.685 271 HG13 VAL 37 3HG1 VAL 37 4.085 4.633 -0.451 272 HG21 VAL 37 1HG2 VAL 37 2.923 2.406 -0.584 273 HG22 VAL 37 2HG2 VAL 37 2.676 3.010 -2.240 274 HG23 VAL 37 3HG2 VAL 37 3.310 1.368 -1.978 275 H GLY 38 H GLY 38 5.909 5.994 -3.213 276 HA2 GLY 38 1HA GLY 38 8.726 5.299 -2.808 277 HA3 GLY 38 2HA GLY 38 8.275 6.041 -4.331 278 H ARG 39 H ARG 39 9.668 7.876 -3.716 279 HA ARG 39 HA ARG 39 8.625 9.433 -1.519 280 HB2 ARG 39 1HB ARG 39 11.035 9.219 -1.494 281 HB3 ARG 39 2HB ARG 39 11.163 9.596 -3.201 282 HG2 ARG 39 1HG ARG 39 10.555 11.915 -2.833 283 HG3 ARG 39 2HG ARG 39 10.049 11.593 -1.186 284 HD2 ARG 39 1HD ARG 39 12.162 11.903 -0.409 285 HD3 ARG 39 2HD ARG 39 12.800 10.707 -1.519 286 HE ARG 39 HE ARG 39 12.369 12.902 -3.151 287 HH11 ARG 39 1HH1 ARG 39 14.117 12.414 -0.137 288 HH12 ARG 39 2HH1 ARG 39 15.282 13.654 -0.463 289 HH21 ARG 39 1HH2 ARG 39 13.904 14.539 -3.582 290 HH22 ARG 39 2HH2 ARG 39 15.160 14.871 -2.436 291 H ILE 40 H ILE 40 8.760 9.261 -5.038 292 HA ILE 40 HA ILE 40 7.675 11.981 -5.215 293 HB ILE 40 HB ILE 40 8.277 11.818 -7.607 294 HG12 ILE 40 1HG1 ILE 40 9.656 9.238 -6.808 295 HG13 ILE 40 2HG1 ILE 40 8.210 9.350 -7.792 296 HG21 ILE 40 1HG2 ILE 40 10.104 11.958 -5.332 297 HG22 ILE 40 2HG2 ILE 40 10.915 11.500 -6.849 298 HG23 ILE 40 3HG2 ILE 40 9.967 13.004 -6.765 299 HD11 ILE 40 1HD1 ILE 40 9.977 9.182 -9.373 300 HD12 ILE 40 2HD1 ILE 40 9.596 10.920 -9.341 301 HD13 ILE 40 3HD1 ILE 40 11.015 10.304 -8.461 302 H VAL 41 H VAL 41 5.974 12.217 -7.036 303 HA VAL 41 HA VAL 41 4.078 10.017 -6.671 304 HB VAL 41 HB VAL 41 2.530 11.897 -7.631 305 HG11 VAL 41 1HG1 VAL 41 2.458 10.891 -5.348 306 HG12 VAL 41 2HG1 VAL 41 3.629 12.119 -4.810 307 HG13 VAL 41 3HG1 VAL 41 2.017 12.615 -5.380 308 HG21 VAL 41 1HG2 VAL 41 4.665 13.337 -8.045 309 HG22 VAL 41 2HG2 VAL 41 3.200 14.112 -7.398 310 HG23 VAL 41 3HG2 VAL 41 4.545 13.701 -6.307 311 H ARG 42 H ARG 42 6.070 11.751 -9.004 312 HA ARG 42 HA ARG 42 4.902 11.533 -11.321 313 HB2 ARG 42 1HB ARG 42 7.724 10.808 -10.487 314 HB3 ARG 42 2HB ARG 42 7.263 10.587 -12.163 315 HG2 ARG 42 1HG ARG 42 7.524 12.804 -12.548 316 HG3 ARG 42 2HG ARG 42 6.292 13.171 -11.357 317 HD2 ARG 42 1HD ARG 42 7.980 13.129 -9.542 318 HD3 ARG 42 2HD ARG 42 9.226 12.644 -10.676 319 HE ARG 42 HE ARG 42 8.137 15.004 -11.743 320 HH11 ARG 42 1HH1 ARG 42 9.750 14.062 -8.761 321 HH12 ARG 42 2HH1 ARG 42 10.437 15.629 -8.488 322 HH21 ARG 42 1HH2 ARG 42 9.044 17.071 -11.384 323 HH22 ARG 42 2HH2 ARG 42 10.033 17.351 -9.990 324 H GLY 43 H GLY 43 7.210 8.827 -10.807 325 HA2 GLY 43 1HA GLY 43 5.255 6.994 -11.996 326 HA3 GLY 43 2HA GLY 43 6.986 6.759 -11.861 327 H ASN 44 H ASN 44 4.170 7.384 -9.635 328 HA ASN 44 HA ASN 44 4.642 4.947 -8.301 329 HB2 ASN 44 1HB ASN 44 5.416 7.572 -6.939 330 HB3 ASN 44 2HB ASN 44 5.017 6.137 -6.016 331 HD21 ASN 44 1HD2 ASN 44 7.516 7.833 -6.797 332 HD22 ASN 44 2HD2 ASN 44 8.738 6.650 -7.123 333 H GLU 45 H GLU 45 2.741 4.408 -7.065 334 HA GLU 45 HA GLU 45 0.484 5.968 -7.629 335 HB2 GLU 45 1HB GLU 45 1.036 3.481 -6.009 336 HB3 GLU 45 2HB GLU 45 -0.519 4.270 -5.838 337 HG2 GLU 45 1HG GLU 45 0.714 3.229 -8.430 338 HG3 GLU 45 2HG GLU 45 -0.667 2.555 -7.589 339 H ILE 46 H ILE 46 2.475 5.407 -4.668 340 HA ILE 46 HA ILE 46 1.146 7.754 -3.507 341 HB ILE 46 HB ILE 46 2.011 5.250 -2.057 342 HG12 ILE 46 1HG1 ILE 46 -0.820 6.249 -2.303 343 HG13 ILE 46 2HG1 ILE 46 -0.123 5.235 -3.551 344 HG21 ILE 46 1HG2 ILE 46 2.366 7.178 -0.661 345 HG22 ILE 46 2HG2 ILE 46 0.750 7.814 -1.051 346 HG23 ILE 46 3HG2 ILE 46 0.912 6.317 -0.101 347 HD11 ILE 46 1HD1 ILE 46 -0.491 4.565 -0.604 348 HD12 ILE 46 2HD1 ILE 46 -1.192 3.735 -2.014 349 HD13 ILE 46 3HD1 ILE 46 0.550 3.599 -1.677 350 H ALA 47 H ALA 47 2.491 9.262 -2.498 351 HA ALA 47 HA ALA 47 5.355 8.617 -2.574 352 HB1 ALA 47 1HB ALA 47 4.219 10.207 -4.431 353 HB2 ALA 47 2HB ALA 47 4.467 11.414 -3.147 354 HB3 ALA 47 3HB ALA 47 5.853 10.501 -3.789 355 H ILE 48 H ILE 48 6.395 9.015 -0.671 356 HA ILE 48 HA ILE 48 4.915 10.636 1.284 357 HB ILE 48 HB ILE 48 6.675 8.218 1.691 358 HG12 ILE 48 1HG1 ILE 48 3.996 8.185 2.844 359 HG13 ILE 48 2HG1 ILE 48 3.950 8.406 1.106 360 HG21 ILE 48 1HG2 ILE 48 5.232 9.580 3.933 361 HG22 ILE 48 2HG2 ILE 48 6.676 8.540 3.963 362 HG23 ILE 48 3HG2 ILE 48 6.801 10.220 3.388 363 HD11 ILE 48 1HD1 ILE 48 5.458 6.196 2.578 364 HD12 ILE 48 2HD1 ILE 48 3.946 6.003 1.659 365 HD13 ILE 48 3HD1 ILE 48 5.453 6.429 0.814 366 H LYS 49 H LYS 49 5.901 12.451 2.021 367 HA LYS 49 HA LYS 49 8.608 12.922 1.064 368 HB2 LYS 49 1HB LYS 49 6.459 14.736 2.186 369 HB3 LYS 49 2HB LYS 49 8.089 15.280 1.846 370 HG2 LYS 49 1HG LYS 49 6.682 13.767 -0.339 371 HG3 LYS 49 2HG LYS 49 6.098 15.383 0.006 372 HD2 LYS 49 1HD LYS 49 7.822 16.246 -1.181 373 HD3 LYS 49 2HD LYS 49 8.947 15.574 -0.017 374 HE2 LYS 49 1HE LYS 49 9.726 14.391 -1.825 375 HE3 LYS 49 2HE LYS 49 8.392 13.315 -1.456 376 HZ1 LYS 49 1HZ LYS 49 7.050 14.465 -3.033 377 HZ2 LYS 49 2HZ LYS 49 8.201 15.590 -3.307 378 HZ3 LYS 49 3HZ LYS 49 8.445 14.042 -3.768 379 H ASP 50 H ASP 50 9.341 11.171 2.641 380 HA ASP 50 HA ASP 50 9.540 12.330 5.307 381 HB2 ASP 50 1HB ASP 50 8.470 10.122 5.292 382 HB3 ASP 50 2HB ASP 50 9.765 9.450 4.321 383 H ALA 51 H ALA 51 11.159 11.858 2.366 384 HA ALA 51 HA ALA 51 13.270 12.283 1.786 385 HB1 ALA 51 1HB ALA 51 14.534 13.497 3.211 386 HB2 ALA 51 2HB ALA 51 13.185 13.332 4.361 387 HB3 ALA 51 3HB ALA 51 14.555 12.197 4.428 388 H GLY 52 H GLY 52 13.240 10.153 4.737 389 HA2 GLY 52 1HA GLY 52 15.285 8.457 4.045 390 HA3 GLY 52 2HA GLY 52 13.890 8.017 5.010 391 H ILE 53 H ILE 53 12.098 8.793 2.572 392 HA ILE 53 HA ILE 53 12.273 6.162 1.359 393 HB ILE 53 HB ILE 53 10.176 8.330 1.211 394 HG12 ILE 53 1HG1 ILE 53 10.037 5.678 2.660 395 HG13 ILE 53 2HG1 ILE 53 10.561 7.158 3.438 396 HG21 ILE 53 1HG2 ILE 53 8.777 6.802 0.043 397 HG22 ILE 53 2HG2 ILE 53 10.333 6.852 -0.820 398 HG23 ILE 53 3HG2 ILE 53 9.947 5.474 0.239 399 HD11 ILE 53 1HD1 ILE 53 8.390 8.248 2.731 400 HD12 ILE 53 2HD1 ILE 53 7.860 6.668 2.105 401 HD13 ILE 53 3HD1 ILE 53 8.174 6.876 3.845 402 H SER 54 H SER 54 12.594 5.783 -0.856 403 HA SER 54 HA SER 54 13.697 8.102 -2.228 404 HB2 SER 54 1HB SER 54 14.991 5.809 -1.720 405 HB3 SER 54 2HB SER 54 14.168 5.280 -3.174 406 HG SER 54 HG SER 54 15.942 6.174 -4.062 407 H THR 55 H THR 55 13.310 8.203 -4.639 408 HA THR 55 HA THR 55 10.696 8.241 -5.324 409 HB THR 55 HB THR 55 13.297 7.928 -6.849 410 HG1 THR 55 HG1 THR 55 12.524 9.970 -5.900 411 HG21 THR 55 1HG2 THR 55 10.463 7.868 -7.978 412 HG22 THR 55 2HG2 THR 55 11.817 8.560 -8.903 413 HG23 THR 55 3HG2 THR 55 11.845 6.843 -8.433 414 H LYS 56 H LYS 56 12.941 5.451 -5.867 415 HA LYS 56 HA LYS 56 10.522 3.828 -6.248 416 HB2 LYS 56 1HB LYS 56 13.089 3.961 -7.708 417 HB3 LYS 56 2HB LYS 56 12.547 2.339 -7.327 418 HG2 LYS 56 1HG LYS 56 10.975 2.437 -8.957 419 HG3 LYS 56 2HG LYS 56 10.254 3.854 -8.220 420 HD2 LYS 56 1HD LYS 56 12.352 5.096 -9.345 421 HD3 LYS 56 2HD LYS 56 12.333 3.700 -10.404 422 HE2 LYS 56 1HE LYS 56 9.609 4.622 -10.094 423 HE3 LYS 56 2HE LYS 56 10.610 6.010 -10.473 424 HZ1 LYS 56 1HZ LYS 56 10.574 3.497 -11.998 425 HZ2 LYS 56 2HZ LYS 56 9.842 4.887 -12.447 426 HZ3 LYS 56 3HZ LYS 56 11.471 4.813 -12.360 427 H HIS 57 H HIS 57 10.613 4.017 -3.753 428 HA HIS 57 HA HIS 57 12.697 2.659 -2.429 429 HB2 HIS 57 1HB HIS 57 11.298 4.378 -1.372 430 HB3 HIS 57 2HB HIS 57 9.887 3.351 -1.526 431 HD2 HIS 57 HD2 HIS 57 11.059 0.550 -0.288 432 HE1 HIS 57 HE1 HIS 57 12.125 2.907 3.091 433 HE2 HIS 57 HE2 HIS 57 11.658 0.527 2.188 434 H LEU 58 H LEU 58 9.210 1.733 -2.926 435 HA LEU 58 HA LEU 58 10.026 -0.942 -3.583 436 HB2 LEU 58 1HB LEU 58 8.644 -1.955 -1.772 437 HB3 LEU 58 2HB LEU 58 10.161 -1.241 -1.263 438 HG LEU 58 HG LEU 58 9.083 0.610 -0.244 439 HD11 LEU 58 1HD1 LEU 58 7.469 1.213 -1.904 440 HD12 LEU 58 2HD1 LEU 58 6.556 -0.294 -1.646 441 HD13 LEU 58 3HD1 LEU 58 6.607 0.945 -0.369 442 HD21 LEU 58 1HD2 LEU 58 7.096 -0.816 0.997 443 HD22 LEU 58 2HD2 LEU 58 8.152 -2.105 0.372 444 HD23 LEU 58 3HD2 LEU 58 8.821 -0.844 1.435 445 H ARG 59 H ARG 59 7.887 -2.318 -3.898 446 HA ARG 59 HA ARG 59 5.837 -0.499 -4.862 447 HB2 ARG 59 1HB ARG 59 5.632 -1.698 -6.946 448 HB3 ARG 59 2HB ARG 59 7.346 -1.403 -6.732 449 HG2 ARG 59 1HG ARG 59 7.419 -3.752 -5.588 450 HG3 ARG 59 2HG ARG 59 5.828 -4.000 -6.280 451 HD2 ARG 59 1HD ARG 59 6.684 -3.690 -8.552 452 HD3 ARG 59 2HD ARG 59 8.246 -3.168 -7.950 453 HE ARG 59 HE ARG 59 7.978 -5.669 -6.816 454 HH11 ARG 59 1HH1 ARG 59 7.676 -4.479 -10.114 455 HH12 ARG 59 2HH1 ARG 59 8.180 -5.971 -10.835 456 HH21 ARG 59 1HH2 ARG 59 8.643 -7.638 -7.766 457 HH22 ARG 59 2HH2 ARG 59 8.734 -7.780 -9.490 458 H ILE 60 H ILE 60 3.653 -1.366 -4.782 459 HA ILE 60 HA ILE 60 3.474 -3.834 -3.198 460 HB ILE 60 HB ILE 60 1.773 -1.344 -3.188 461 HG12 ILE 60 1HG1 ILE 60 3.433 -2.687 -1.033 462 HG13 ILE 60 2HG1 ILE 60 3.857 -1.220 -1.893 463 HG21 ILE 60 1HG2 ILE 60 0.538 -3.630 -3.093 464 HG22 ILE 60 2HG2 ILE 60 1.220 -3.733 -1.451 465 HG23 ILE 60 3HG2 ILE 60 0.157 -2.374 -1.891 466 HD11 ILE 60 1HD1 ILE 60 2.359 -1.384 0.478 467 HD12 ILE 60 2HD1 ILE 60 2.531 0.052 -0.560 468 HD13 ILE 60 3HD1 ILE 60 1.147 -1.045 -0.780 469 H GLU 61 H GLU 61 2.201 -5.497 -3.948 470 HA GLU 61 HA GLU 61 0.431 -4.918 -6.147 471 HB2 GLU 61 1HB GLU 61 1.372 -6.757 -7.540 472 HB3 GLU 61 2HB GLU 61 2.519 -5.453 -7.304 473 HG2 GLU 61 1HG GLU 61 3.968 -7.095 -6.657 474 HG3 GLU 61 2HG GLU 61 3.106 -7.057 -5.132 475 H SER 62 H SER 62 -0.832 -7.053 -6.745 476 HA SER 62 HA SER 62 -1.115 -8.632 -4.313 477 HB2 SER 62 1HB SER 62 -3.082 -7.465 -4.081 478 HB3 SER 62 2HB SER 62 -3.146 -7.020 -5.775 479 HG SER 62 HG SER 62 -4.780 -8.472 -5.661 480 H ASP 63 H ASP 63 -1.580 -10.871 -4.645 481 HA ASP 63 HA ASP 63 -2.050 -11.726 -7.344 482 HB2 ASP 63 1HB ASP 63 0.413 -11.651 -7.246 483 HB3 ASP 63 2HB ASP 63 0.415 -12.547 -5.740 484 H SER 64 H SER 64 -2.701 -14.082 -7.363 485 HA SER 64 HA SER 64 -3.979 -15.662 -6.569 486 HB2 SER 64 1HB SER 64 -1.472 -15.932 -5.455 487 HB3 SER 64 2HB SER 64 -2.475 -15.976 -4.018 488 HG SER 64 HG SER 64 -3.473 -17.828 -4.696 489 H GLY 65 H GLY 65 -5.435 -13.531 -6.153 490 HA2 GLY 65 1HA GLY 65 -6.847 -12.376 -4.811 491 HA3 GLY 65 2HA GLY 65 -7.194 -13.969 -4.168 492 H ASN 66 H ASN 66 -4.100 -12.122 -3.901 493 HA ASN 66 HA ASN 66 -4.701 -11.563 -1.146 494 HB2 ASN 66 1HB ASN 66 -2.473 -13.422 -2.078 495 HB3 ASN 66 2HB ASN 66 -2.303 -12.520 -0.586 496 HD21 ASN 66 1HD2 ASN 66 -3.357 -13.125 1.208 497 HD22 ASN 66 2HD2 ASN 66 -4.406 -14.496 1.342 498 H TRP 67 H TRP 67 -2.722 -10.228 -0.194 499 HA TRP 67 HA TRP 67 -1.613 -8.611 -2.385 500 HB2 TRP 67 1HB TRP 67 -2.452 -7.862 0.415 501 HB3 TRP 67 2HB TRP 67 -1.455 -6.830 -0.591 502 HD1 TRP 67 HD1 TRP 67 -5.060 -8.219 -0.429 503 HE1 TRP 67 HE1 TRP 67 -6.699 -6.780 -1.914 504 HE3 TRP 67 HE3 TRP 67 -1.449 -5.330 -2.544 505 HZ2 TRP 67 HZ2 TRP 67 -6.311 -4.642 -3.764 506 HZ3 TRP 67 HZ3 TRP 67 -2.164 -3.590 -4.179 507 HH2 TRP 67 HH2 TRP 67 -4.500 -3.223 -4.798 508 H VAL 68 H VAL 68 0.634 -8.038 -2.244 509 HA VAL 68 HA VAL 68 2.128 -9.286 -0.071 510 HB VAL 68 HB VAL 68 3.571 -10.466 -1.482 511 HG11 VAL 68 1HG1 VAL 68 0.696 -10.784 -2.369 512 HG12 VAL 68 2HG1 VAL 68 1.992 -11.865 -2.935 513 HG13 VAL 68 3HG1 VAL 68 1.615 -11.761 -1.199 514 HG21 VAL 68 1HG2 VAL 68 4.209 -9.557 -3.419 515 HG22 VAL 68 2HG2 VAL 68 2.689 -10.149 -4.132 516 HG23 VAL 68 3HG2 VAL 68 2.776 -8.502 -3.461 517 H ILE 69 H ILE 69 4.346 -8.391 0.114 518 HA ILE 69 HA ILE 69 4.585 -5.804 -1.248 519 HB ILE 69 HB ILE 69 3.721 -5.425 0.985 520 HG12 ILE 69 1HG1 ILE 69 6.530 -4.556 1.350 521 HG13 ILE 69 2HG1 ILE 69 5.809 -4.137 -0.192 522 HG21 ILE 69 1HG2 ILE 69 5.187 -5.976 2.962 523 HG22 ILE 69 2HG2 ILE 69 4.385 -7.363 2.185 524 HG23 ILE 69 3HG2 ILE 69 6.111 -7.047 1.881 525 HD11 ILE 69 1HD1 ILE 69 4.952 -2.346 0.938 526 HD12 ILE 69 2HD1 ILE 69 3.749 -3.511 1.541 527 HD13 ILE 69 3HD1 ILE 69 5.181 -3.122 2.524 528 H GLN 70 H GLN 70 6.717 -5.168 -1.784 529 HA GLN 70 HA GLN 70 8.794 -7.048 -1.069 530 HB2 GLN 70 1HB GLN 70 8.044 -7.947 -3.187 531 HB3 GLN 70 2HB GLN 70 7.990 -6.357 -3.923 532 HG2 GLN 70 1HG GLN 70 10.433 -6.144 -3.788 533 HG3 GLN 70 2HG GLN 70 10.557 -7.626 -2.861 534 HE21 GLN 70 1HE2 GLN 70 11.831 -8.705 -4.279 535 HE22 GLN 70 2HE2 GLN 70 11.319 -9.260 -5.839 536 H ASP 71 H ASP 71 10.625 -5.956 -0.466 537 HA ASP 71 HA ASP 71 10.602 -3.127 -0.790 538 HB2 ASP 71 1HB ASP 71 11.386 -3.967 1.324 539 HB3 ASP 71 2HB ASP 71 12.455 -5.125 0.559 540 H LEU 72 H LEU 72 11.322 -2.292 -2.762 541 HA LEU 72 HA LEU 72 13.024 -3.800 -4.464 542 HB2 LEU 72 1HB LEU 72 11.948 -0.984 -4.551 543 HB3 LEU 72 2HB LEU 72 12.994 -1.643 -5.793 544 HG LEU 72 HG LEU 72 11.380 -3.088 -6.603 545 HD11 LEU 72 1HD1 LEU 72 9.394 -3.841 -5.386 546 HD12 LEU 72 2HD1 LEU 72 10.889 -4.229 -4.501 547 HD13 LEU 72 3HD1 LEU 72 9.877 -2.860 -3.981 548 HD21 LEU 72 1HD2 LEU 72 9.286 -1.815 -6.837 549 HD22 LEU 72 2HD2 LEU 72 9.812 -0.725 -5.532 550 HD23 LEU 72 3HD2 LEU 72 10.726 -0.794 -7.058 551 H GLY 73 H GLY 73 14.533 -3.996 -2.366 552 HA2 GLY 73 1HA GLY 73 16.373 -3.272 -1.214 553 HA3 GLY 73 2HA GLY 73 16.994 -3.189 -2.851 554 H SER 74 H SER 74 14.582 -1.129 -1.073 555 HA SER 74 HA SER 74 15.108 1.205 -2.181 556 HB2 SER 74 1HB SER 74 14.688 2.182 0.233 557 HB3 SER 74 2HB SER 74 13.424 1.272 -0.570 558 HG SER 74 HG SER 74 14.966 -0.526 0.730 559 H SER 75 H SER 75 16.569 0.614 1.087 560 HA SER 75 HA SER 75 19.193 0.865 0.276 561 HB2 SER 75 1HB SER 75 17.754 3.429 0.669 562 HB3 SER 75 2HB SER 75 19.231 3.305 1.603 563 HG SER 75 HG SER 75 20.453 3.222 -0.220 564 H ASN 76 H ASN 76 16.970 2.122 2.876 565 HA ASN 76 HA ASN 76 18.783 1.212 4.876 566 HB2 ASN 76 1HB ASN 76 16.833 1.966 6.418 567 HB3 ASN 76 2HB ASN 76 17.579 3.211 5.436 568 HD21 ASN 76 1HD2 ASN 76 16.325 4.443 4.259 569 HD22 ASN 76 2HD2 ASN 76 14.694 4.120 3.775 570 H GLY 77 H GLY 77 15.592 0.324 3.446 571 HA2 GLY 77 1HA GLY 77 15.167 -2.076 3.287 572 HA3 GLY 77 2HA GLY 77 15.689 -2.222 4.954 573 H THR 78 H THR 78 13.132 -3.117 4.053 574 HA THR 78 HA THR 78 11.325 -1.083 5.173 575 HB THR 78 HB THR 78 10.662 -3.553 3.493 576 HG1 THR 78 HG1 THR 78 10.898 -2.075 1.743 577 HG21 THR 78 1HG2 THR 78 8.926 -1.963 4.891 578 HG22 THR 78 2HG2 THR 78 9.109 -0.984 3.416 579 HG23 THR 78 3HG2 THR 78 8.523 -2.660 3.303 580 H LEU 79 H LEU 79 9.823 -1.624 6.798 581 HA LEU 79 HA LEU 79 10.507 -4.121 8.188 582 HB2 LEU 79 1HB LEU 79 10.036 -1.344 9.230 583 HB3 LEU 79 2HB LEU 79 9.735 -2.742 10.243 584 HG LEU 79 HG LEU 79 12.393 -2.216 8.894 585 HD11 LEU 79 1HD1 LEU 79 11.328 -1.269 11.544 586 HD12 LEU 79 2HD1 LEU 79 13.067 -1.566 11.304 587 HD13 LEU 79 3HD1 LEU 79 12.221 -0.369 10.293 588 HD21 LEU 79 1HD2 LEU 79 12.057 -3.863 11.365 589 HD22 LEU 79 2HD2 LEU 79 11.583 -4.564 9.799 590 HD23 LEU 79 3HD2 LEU 79 13.250 -3.992 10.050 591 H LEU 80 H LEU 80 8.807 -5.399 8.933 592 HA LEU 80 HA LEU 80 6.129 -4.386 8.283 593 HB2 LEU 80 1HB LEU 80 7.041 -5.998 6.596 594 HB3 LEU 80 2HB LEU 80 7.099 -7.213 7.858 595 HG LEU 80 HG LEU 80 4.678 -7.121 8.125 596 HD11 LEU 80 1HD1 LEU 80 3.630 -5.731 6.007 597 HD12 LEU 80 2HD1 LEU 80 3.702 -5.156 7.690 598 HD13 LEU 80 3HD1 LEU 80 4.962 -4.673 6.530 599 HD21 LEU 80 1HD2 LEU 80 5.482 -8.721 6.543 600 HD22 LEU 80 2HD2 LEU 80 4.019 -7.969 5.862 601 HD23 LEU 80 3HD2 LEU 80 5.627 -7.482 5.273 602 H ASN 81 H ASN 81 5.271 -3.941 10.258 603 HA ASN 81 HA ASN 81 4.452 -4.289 12.237 604 HB2 ASN 81 1HB ASN 81 5.188 -7.229 11.784 605 HB3 ASN 81 2HB ASN 81 4.208 -6.659 13.121 606 HD21 ASN 81 1HD2 ASN 81 4.090 -8.047 10.189 607 HD22 ASN 81 2HD2 ASN 81 2.520 -7.571 9.632 608 H SER 82 H SER 82 7.036 -6.865 12.130 609 HA SER 82 HA SER 82 8.789 -5.261 13.685 610 HB2 SER 82 1HB SER 82 7.073 -7.314 14.973 611 HB3 SER 82 2HB SER 82 8.778 -7.484 15.340 612 HG SER 82 HG SER 82 7.835 -4.837 15.480 613 H ASN 83 H ASN 83 9.490 -5.983 11.291 614 HA ASN 83 HA ASN 83 11.578 -7.780 11.654 615 HB2 ASN 83 1HB ASN 83 9.423 -9.304 11.349 616 HB3 ASN 83 2HB ASN 83 9.537 -8.843 9.662 617 HD21 ASN 83 1HD2 ASN 83 10.927 -9.831 8.365 618 HD22 ASN 83 2HD2 ASN 83 12.131 -10.982 8.839 619 H ALA 84 H ALA 84 13.109 -7.333 9.997 620 HA ALA 84 HA ALA 84 12.378 -5.279 8.131 621 HB1 ALA 84 1HB ALA 84 14.513 -4.848 8.784 622 HB2 ALA 84 2HB ALA 84 14.832 -6.547 9.209 623 HB3 ALA 84 3HB ALA 84 14.947 -6.017 7.514 624 H LEU 85 H LEU 85 11.548 -5.630 6.138 625 HA LEU 85 HA LEU 85 11.241 -8.245 5.144 626 HB2 LEU 85 1HB LEU 85 10.918 -5.586 3.747 627 HB3 LEU 85 2HB LEU 85 10.320 -7.130 3.173 628 HG LEU 85 HG LEU 85 9.449 -5.873 5.787 629 HD11 LEU 85 1HD1 LEU 85 8.906 -4.838 3.290 630 HD12 LEU 85 2HD1 LEU 85 7.493 -5.872 3.611 631 HD13 LEU 85 3HD1 LEU 85 7.938 -4.590 4.763 632 HD21 LEU 85 1HD2 LEU 85 7.696 -7.779 4.377 633 HD22 LEU 85 2HD2 LEU 85 9.214 -8.468 5.002 634 HD23 LEU 85 3HD2 LEU 85 8.094 -7.634 6.106 635 H ASP 86 H ASP 86 11.954 -8.754 2.756 636 HA ASP 86 HA ASP 86 14.753 -7.964 2.544 637 HB2 ASP 86 1HB ASP 86 13.667 -10.563 2.965 638 HB3 ASP 86 2HB ASP 86 14.150 -10.534 1.281 639 HA PRO 87 HA PRO 87 13.588 -7.007 -1.577 640 HB2 PRO 87 1HB PRO 87 16.015 -6.988 -2.833 641 HB3 PRO 87 2HB PRO 87 15.424 -5.648 -1.871 642 HG2 PRO 87 1HG PRO 87 17.488 -7.651 -1.189 643 HG3 PRO 87 2HG PRO 87 17.186 -6.090 -0.451 644 HD2 PRO 87 1HD PRO 87 16.471 -8.657 0.610 645 HD3 PRO 87 2HD PRO 87 16.067 -7.093 1.289 646 H GLU 88 H GLU 88 15.695 -9.777 -1.194 647 HA GLU 88 HA GLU 88 14.678 -10.818 -3.680 648 HB2 GLU 88 1HB GLU 88 16.724 -11.929 -1.708 649 HB3 GLU 88 2HB GLU 88 16.306 -12.686 -3.232 650 HG2 GLU 88 1HG GLU 88 16.941 -10.457 -4.369 651 HG3 GLU 88 2HG GLU 88 17.605 -9.958 -2.826 652 H THR 89 H THR 89 12.806 -10.407 -1.445 653 HA THR 89 HA THR 89 11.718 -13.077 -1.379 654 HB THR 89 HB THR 89 12.460 -11.616 1.210 655 HG1 THR 89 HG1 THR 89 14.269 -12.899 1.034 656 HG21 THR 89 1HG2 THR 89 10.412 -13.181 1.254 657 HG22 THR 89 2HG2 THR 89 11.516 -14.491 0.769 658 HG23 THR 89 3HG2 THR 89 11.753 -13.658 2.324 659 H SER 90 H SER 90 9.489 -13.114 -1.114 660 HA SER 90 HA SER 90 8.329 -10.443 -0.923 661 HB2 SER 90 1HB SER 90 6.489 -11.306 -2.392 662 HB3 SER 90 2HB SER 90 8.051 -11.290 -3.186 663 HG SER 90 HG SER 90 6.813 -13.294 -3.504 664 H VAL 91 H VAL 91 6.778 -10.147 0.669 665 HA VAL 91 HA VAL 91 5.866 -12.586 2.034 666 HB VAL 91 HB VAL 91 6.211 -9.836 3.232 667 HG11 VAL 91 1HG1 VAL 91 6.423 -11.882 5.167 668 HG12 VAL 91 2HG1 VAL 91 5.094 -10.718 4.949 669 HG13 VAL 91 3HG1 VAL 91 5.028 -12.306 4.146 670 HG21 VAL 91 1HG2 VAL 91 8.313 -10.509 4.147 671 HG22 VAL 91 2HG2 VAL 91 8.118 -12.172 3.543 672 HG23 VAL 91 3HG2 VAL 91 8.378 -10.834 2.398 673 H ASN 92 H ASN 92 3.656 -12.628 2.760 674 HA ASN 92 HA ASN 92 1.985 -11.124 0.996 675 HB2 ASN 92 1HB ASN 92 0.165 -12.551 1.917 676 HB3 ASN 92 2HB ASN 92 1.534 -13.537 1.444 677 HD21 ASN 92 1HD2 ASN 92 -0.676 -13.804 3.470 678 HD22 ASN 92 2HD2 ASN 92 0.100 -14.214 4.963 679 H LEU 93 H LEU 93 0.575 -9.426 1.658 680 HA LEU 93 HA LEU 93 1.147 -8.252 4.205 681 HB2 LEU 93 1HB LEU 93 -0.539 -7.508 1.831 682 HB3 LEU 93 2HB LEU 93 -0.657 -6.616 3.335 683 HG LEU 93 HG LEU 93 1.936 -7.008 1.819 684 HD11 LEU 93 1HD1 LEU 93 1.333 -4.378 1.490 685 HD12 LEU 93 2HD1 LEU 93 1.008 -5.650 0.289 686 HD13 LEU 93 3HD1 LEU 93 -0.285 -5.113 1.389 687 HD21 LEU 93 1HD2 LEU 93 1.169 -5.639 4.340 688 HD22 LEU 93 2HD2 LEU 93 2.702 -6.407 3.861 689 HD23 LEU 93 3HD2 LEU 93 2.301 -4.777 3.270 690 H GLY 94 H GLY 94 -0.866 -7.387 5.512 691 HA2 GLY 94 1HA GLY 94 -3.111 -9.223 5.537 692 HA3 GLY 94 2HA GLY 94 -2.027 -9.359 6.907 693 H ASP 95 H ASP 95 -4.815 -8.486 6.993 694 HA ASP 95 HA ASP 95 -4.937 -5.702 7.100 695 HB2 ASP 95 1HB ASP 95 -7.029 -6.757 6.914 696 HB3 ASP 95 2HB ASP 95 -6.623 -8.001 8.079 697 H GLY 96 H GLY 96 -3.819 -4.462 8.616 698 HA2 GLY 96 1HA GLY 96 -3.683 -3.772 10.889 699 HA3 GLY 96 2HA GLY 96 -3.738 -5.449 11.395 700 H ASP 97 H ASP 97 -1.835 -4.958 8.535 701 HA ASP 97 HA ASP 97 0.516 -5.517 10.076 702 HB2 ASP 97 1HB ASP 97 -0.110 -5.370 7.102 703 HB3 ASP 97 2HB ASP 97 1.539 -5.544 7.669 704 H VAL 98 H VAL 98 2.001 -3.906 10.635 705 HA VAL 98 HA VAL 98 1.587 -1.269 9.459 706 HB VAL 98 HB VAL 98 2.847 -2.333 11.966 707 HG11 VAL 98 1HG1 VAL 98 3.677 0.058 10.456 708 HG12 VAL 98 2HG1 VAL 98 3.257 0.374 12.157 709 HG13 VAL 98 3HG1 VAL 98 4.509 -0.827 11.757 710 HG21 VAL 98 1HG2 VAL 98 0.602 -1.862 12.343 711 HG22 VAL 98 2HG2 VAL 98 1.395 -0.351 12.849 712 HG23 VAL 98 3HG2 VAL 98 0.605 -0.452 11.257 713 H ILE 99 H ILE 99 2.966 -0.425 7.974 714 HA ILE 99 HA ILE 99 5.446 -1.927 7.525 715 HB ILE 99 HB ILE 99 3.905 -0.178 5.606 716 HG12 ILE 99 1HG1 ILE 99 4.054 -3.194 5.540 717 HG13 ILE 99 2HG1 ILE 99 2.783 -2.353 6.404 718 HG21 ILE 99 1HG2 ILE 99 6.519 -0.672 5.450 719 HG22 ILE 99 2HG2 ILE 99 5.924 -2.183 4.722 720 HG23 ILE 99 3HG2 ILE 99 5.469 -0.615 4.014 721 HD11 ILE 99 1HD1 ILE 99 1.663 -2.184 4.444 722 HD12 ILE 99 2HD1 ILE 99 2.924 -1.058 3.886 723 HD13 ILE 99 3HD1 ILE 99 3.066 -2.798 3.538 724 H LYS 100 H LYS 100 7.093 -0.969 8.610 725 HA LYS 100 HA LYS 100 7.074 1.942 8.792 726 HB2 LYS 100 1HB LYS 100 8.244 -0.286 10.382 727 HB3 LYS 100 2HB LYS 100 9.184 1.190 10.294 728 HG2 LYS 100 1HG LYS 100 7.525 2.483 11.353 729 HG3 LYS 100 2HG LYS 100 6.225 1.415 10.861 730 HD2 LYS 100 1HD LYS 100 8.340 0.825 12.984 731 HD3 LYS 100 2HD LYS 100 6.647 1.168 13.277 732 HE2 LYS 100 1HE LYS 100 6.512 -0.946 11.460 733 HE3 LYS 100 2HE LYS 100 7.933 -1.357 12.400 734 HZ1 LYS 100 1HZ LYS 100 6.703 -1.700 14.210 735 HZ2 LYS 100 2HZ LYS 100 5.692 -0.446 13.940 736 HZ3 LYS 100 3HZ LYS 100 5.456 -1.866 13.168 737 H LEU 101 H LEU 101 7.902 2.906 7.001 738 HA LEU 101 HA LEU 101 10.473 1.845 6.060 739 HB2 LEU 101 1HB LEU 101 9.877 2.293 3.805 740 HB3 LEU 101 2HB LEU 101 8.654 1.259 4.517 741 HG LEU 101 HG LEU 101 8.102 4.180 4.589 742 HD11 LEU 101 1HD1 LEU 101 7.692 2.705 1.991 743 HD12 LEU 101 2HD1 LEU 101 7.569 4.449 2.326 744 HD13 LEU 101 3HD1 LEU 101 9.162 3.655 2.314 745 HD21 LEU 101 1HD2 LEU 101 5.905 2.872 3.576 746 HD22 LEU 101 2HD2 LEU 101 6.641 1.641 4.629 747 HD23 LEU 101 3HD2 LEU 101 6.205 3.234 5.292 748 H GLY 102 H GLY 102 11.775 3.580 4.875 749 HA2 GLY 102 1HA GLY 102 12.696 5.634 4.792 750 HA3 GLY 102 2HA GLY 102 11.160 6.317 5.289 751 H GLU 103 H GLU 103 11.893 7.785 6.849 752 HA GLU 103 HA GLU 103 13.756 6.896 8.812 753 HB2 GLU 103 1HB GLU 103 12.162 9.491 8.640 754 HB3 GLU 103 2HB GLU 103 13.514 9.199 9.716 755 HG2 GLU 103 1HG GLU 103 14.709 8.524 7.371 756 HG3 GLU 103 2HG GLU 103 13.509 9.636 6.742 757 H TYR 104 H TYR 104 10.408 8.322 9.031 758 HA TYR 104 HA TYR 104 9.814 6.355 11.108 759 HB2 TYR 104 1HB TYR 104 9.511 9.422 11.186 760 HB3 TYR 104 2HB TYR 104 8.803 8.362 12.389 761 HD1 TYR 104 HD1 TYR 104 10.369 6.925 13.818 762 HD2 TYR 104 HD2 TYR 104 11.754 10.155 11.378 763 HE1 TYR 104 HE1 TYR 104 12.521 7.032 15.168 764 HE2 TYR 104 HE2 TYR 104 13.901 10.251 12.736 765 HH TYR 104 HH TYR 104 14.415 8.016 15.455 766 H THR 105 H THR 105 8.911 6.029 8.556 767 HA THR 105 HA THR 105 6.183 7.139 8.620 768 HB THR 105 HB THR 105 8.077 6.322 6.371 769 HG1 THR 105 HG1 THR 105 8.121 8.523 7.175 770 HG21 THR 105 1HG2 THR 105 5.683 7.441 5.315 771 HG22 THR 105 2HG2 THR 105 6.268 5.776 5.081 772 HG23 THR 105 3HG2 THR 105 5.152 6.148 6.417 773 H SER 106 H SER 106 4.652 5.795 9.309 774 HA SER 106 HA SER 106 5.148 2.960 8.828 775 HB2 SER 106 1HB SER 106 3.452 4.205 11.037 776 HB3 SER 106 2HB SER 106 3.792 2.498 10.836 777 HG SER 106 HG SER 106 5.184 4.124 12.315 778 H ILE 107 H ILE 107 3.548 1.783 7.743 779 HA ILE 107 HA ILE 107 1.098 3.277 7.111 780 HB ILE 107 HB ILE 107 2.609 1.387 5.304 781 HG12 ILE 107 1HG1 ILE 107 2.405 4.410 5.178 782 HG13 ILE 107 2HG1 ILE 107 3.819 3.514 5.694 783 HG21 ILE 107 1HG2 ILE 107 0.567 1.177 4.390 784 HG22 ILE 107 2HG2 ILE 107 -0.063 2.635 5.195 785 HG23 ILE 107 3HG2 ILE 107 0.910 2.787 3.712 786 HD11 ILE 107 1HD1 ILE 107 3.652 2.282 3.399 787 HD12 ILE 107 2HD1 ILE 107 2.558 3.607 2.935 788 HD13 ILE 107 3HD1 ILE 107 4.238 3.963 3.402 789 H LEU 108 H LEU 108 -0.838 2.209 7.393 790 HA LEU 108 HA LEU 108 -0.584 -0.467 8.556 791 HB2 LEU 108 1HB LEU 108 -1.584 0.874 10.133 792 HB3 LEU 108 2HB LEU 108 -2.457 1.825 8.948 793 HG LEU 108 HG LEU 108 -4.005 -0.040 8.554 794 HD11 LEU 108 1HD1 LEU 108 -3.299 -2.109 8.965 795 HD12 LEU 108 2HD1 LEU 108 -1.989 -1.536 10.025 796 HD13 LEU 108 3HD1 LEU 108 -3.624 -1.784 10.684 797 HD21 LEU 108 1HD2 LEU 108 -5.243 0.909 10.127 798 HD22 LEU 108 2HD2 LEU 108 -4.432 -0.079 11.366 799 HD23 LEU 108 3HD2 LEU 108 -3.778 1.519 10.933 800 H VAL 109 H VAL 109 -1.681 -2.229 7.699 801 HA VAL 109 HA VAL 109 -2.854 -1.724 5.063 802 HB VAL 109 HB VAL 109 -1.600 -4.153 6.345 803 HG11 VAL 109 1HG1 VAL 109 -3.667 -4.119 4.395 804 HG12 VAL 109 2HG1 VAL 109 -2.157 -4.546 3.555 805 HG13 VAL 109 3HG1 VAL 109 -2.698 -5.504 4.954 806 HG21 VAL 109 1HG2 VAL 109 -0.045 -3.945 4.380 807 HG22 VAL 109 2HG2 VAL 109 -0.824 -2.391 4.000 808 HG23 VAL 109 3HG2 VAL 109 0.044 -2.598 5.540 809 H ASN 110 H ASN 110 -5.033 -1.651 4.975 810 HA ASN 110 HA ASN 110 -6.438 -3.330 6.902 811 HB2 ASN 110 1HB ASN 110 -6.777 -0.462 6.151 812 HB3 ASN 110 2HB ASN 110 -8.278 -1.367 6.173 813 HD21 ASN 110 1HD2 ASN 110 -5.327 -1.767 8.106 814 HD22 ASN 110 2HD2 ASN 110 -6.040 -1.505 9.662 815 H PHE 111 H PHE 111 -8.222 -4.546 6.024 816 HA PHE 111 HA PHE 111 -8.363 -4.483 3.102 817 HB2 PHE 111 1HB PHE 111 -9.054 -6.507 5.309 818 HB3 PHE 111 2HB PHE 111 -9.496 -6.785 3.636 819 HD1 PHE 111 HD2 PHE 111 -7.013 -5.699 2.317 820 HD2 PHE 111 HD1 PHE 111 -7.520 -8.244 5.674 821 HE1 PHE 111 HE2 PHE 111 -4.757 -6.713 1.889 822 HE2 PHE 111 HE1 PHE 111 -5.265 -9.258 5.247 823 HZ PHE 111 HZ PHE 111 -3.910 -8.481 3.359 824 H VAL 112 H VAL 112 -10.000 -3.184 2.385 825 HA VAL 112 HA VAL 112 -12.415 -3.004 3.994 826 HB VAL 112 HB VAL 112 -11.851 -1.564 1.414 827 HG11 VAL 112 1HG1 VAL 112 -13.934 -0.869 1.958 828 HG12 VAL 112 2HG1 VAL 112 -13.759 -1.334 3.667 829 HG13 VAL 112 3HG1 VAL 112 -13.072 0.203 3.088 830 HG21 VAL 112 1HG2 VAL 112 -10.834 -0.784 4.168 831 HG22 VAL 112 2HG2 VAL 112 -9.842 -1.276 2.775 832 HG23 VAL 112 3HG2 VAL 112 -10.775 0.238 2.712 833 H SER 113 H SER 113 -13.876 -4.613 3.711 834 HA SER 113 HA SER 113 -14.076 -5.729 1.039 835 HB2 SER 113 1HB SER 113 -13.778 -7.480 2.599 836 HB3 SER 113 2HB SER 113 -14.800 -6.721 3.803 837 HG SER 113 HG SER 113 -15.529 -8.619 2.124 838 H GLY 114 H GLY 114 -15.348 -4.075 0.027 839 HA2 GLY 114 1HA GLY 114 -17.486 -3.573 -0.718 840 HA3 GLY 114 2HA GLY 114 -18.169 -4.139 0.794 841 HA PRO 115 HA PRO 115 -17.714 0.460 0.865 842 HB2 PRO 115 1HB PRO 115 -20.303 1.231 0.451 843 HB3 PRO 115 2HB PRO 115 -19.101 1.187 -0.823 844 HG2 PRO 115 1HG PRO 115 -21.330 -0.686 -0.312 845 HG3 PRO 115 2HG PRO 115 -20.400 -0.462 -1.779 846 HD2 PRO 115 1HD PRO 115 -20.135 -2.603 0.111 847 HD3 PRO 115 2HD PRO 115 -19.128 -2.315 -1.294 848 H SER 116 H SER 116 -18.529 2.053 2.462 849 HA SER 116 HA SER 116 -20.251 0.964 4.426 850 HB2 SER 116 1HB SER 116 -17.399 0.538 4.717 851 HB3 SER 116 2HB SER 116 -17.936 1.637 5.973 852 HG SER 116 HG SER 116 -18.504 -1.090 5.607 853 H SER 117 H SER 117 -21.438 2.725 5.062 854 HA SER 117 HA SER 117 -20.257 5.318 4.634 855 HB2 SER 117 1HB SER 117 -22.667 4.528 3.940 856 HB3 SER 117 2HB SER 117 -23.080 4.811 5.619 857 HG SER 117 HG SER 117 -21.650 6.894 4.334 858 H GLY 118 H GLY 118 -18.736 5.331 6.429 859 HA2 GLY 118 1HA GLY 118 -18.982 6.667 8.569 860 HA3 GLY 118 2HA GLY 118 -19.988 5.335 9.103 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -37.974 -4.842 -0.620 2 HA2 GLY 1 1HA GLY 1 -37.530 -7.550 -1.658 3 HA3 GLY 1 2HA GLY 1 -37.046 -6.188 -2.648 4 H SER 2 H SER 2 -35.235 -8.171 -1.567 5 HA SER 2 HA SER 2 -33.351 -6.421 -0.462 6 HB2 SER 2 1HB SER 2 -34.859 -8.230 1.406 7 HB3 SER 2 2HB SER 2 -33.131 -8.084 1.657 8 HG SER 2 HG SER 2 -35.032 -6.381 2.457 9 H SER 3 H SER 3 -31.212 -7.404 -0.455 10 HA SER 3 HA SER 3 -31.125 -9.698 -2.153 11 HB2 SER 3 1HB SER 3 -28.796 -8.192 -0.891 12 HB3 SER 3 2HB SER 3 -28.729 -9.250 -2.286 13 HG SER 3 HG SER 3 -29.966 -6.651 -2.078 14 H GLY 4 H GLY 4 -29.418 -11.487 -1.584 15 HA2 GLY 4 1HA GLY 4 -29.978 -12.360 1.162 16 HA3 GLY 4 2HA GLY 4 -29.486 -13.363 -0.187 17 H SER 5 H SER 5 -27.670 -14.315 0.818 18 HA SER 5 HA SER 5 -25.789 -12.759 2.194 19 HB2 SER 5 1HB SER 5 -24.467 -14.808 2.288 20 HB3 SER 5 2HB SER 5 -26.152 -15.204 2.565 21 HG SER 5 HG SER 5 -25.830 -15.374 -0.081 22 H SER 6 H SER 6 -23.335 -12.848 1.477 23 HA SER 6 HA SER 6 -23.149 -12.562 -1.403 24 HB2 SER 6 1HB SER 6 -23.230 -10.356 0.351 25 HB3 SER 6 2HB SER 6 -21.525 -10.559 0.000 26 HG SER 6 HG SER 6 -23.469 -9.504 -1.589 27 H GLY 7 H GLY 7 -20.875 -12.746 -2.196 28 HA2 GLY 7 1HA GLY 7 -19.396 -14.655 -0.618 29 HA3 GLY 7 2HA GLY 7 -19.038 -14.092 -2.239 30 H MET 8 H MET 8 -16.777 -14.191 -1.081 31 HA MET 8 HA MET 8 -16.252 -11.472 -0.225 32 HB2 MET 8 1HB MET 8 -16.310 -13.664 1.558 33 HB3 MET 8 2HB MET 8 -14.606 -13.500 1.187 34 HG2 MET 8 1HG MET 8 -14.417 -11.552 2.373 35 HG3 MET 8 2HG MET 8 -15.883 -10.885 1.683 36 HE1 MET 8 1HE MET 8 -15.607 -11.540 5.856 37 HE2 MET 8 2HE MET 8 -14.249 -11.660 4.711 38 HE3 MET 8 3HE MET 8 -15.315 -10.235 4.681 39 H VAL 9 H VAL 9 -15.172 -10.934 -2.140 40 HA VAL 9 HA VAL 9 -13.107 -12.751 -3.080 41 HB VAL 9 HB VAL 9 -12.993 -11.145 -4.971 42 HG11 VAL 9 1HG1 VAL 9 -15.551 -11.582 -5.617 43 HG12 VAL 9 2HG1 VAL 9 -14.344 -12.889 -5.568 44 HG13 VAL 9 3HG1 VAL 9 -15.453 -12.650 -4.196 45 HG21 VAL 9 1HG2 VAL 9 -13.863 -9.099 -4.827 46 HG22 VAL 9 2HG2 VAL 9 -15.484 -9.784 -4.556 47 HG23 VAL 9 3HG2 VAL 9 -14.412 -9.457 -3.172 48 H THR 10 H THR 10 -11.209 -11.043 -4.128 49 HA THR 10 HA THR 10 -9.570 -10.534 -1.976 50 HB THR 10 HB THR 10 -9.587 -9.165 -4.717 51 HG1 THR 10 HG1 THR 10 -9.573 -11.387 -5.114 52 HG21 THR 10 1HG2 THR 10 -7.204 -10.112 -3.068 53 HG22 THR 10 2HG2 THR 10 -7.209 -8.999 -4.457 54 HG23 THR 10 3HG2 THR 10 -7.849 -8.463 -2.885 55 HA PRO 11 HA PRO 11 -11.291 -6.934 -0.304 56 HB2 PRO 11 1HB PRO 11 -9.528 -6.621 1.760 57 HB3 PRO 11 2HB PRO 11 -10.927 -7.672 1.847 58 HG2 PRO 11 1HG PRO 11 -8.080 -8.399 1.519 59 HG3 PRO 11 2HG PRO 11 -9.420 -9.408 2.027 60 HD2 PRO 11 1HD PRO 11 -8.170 -9.386 -0.554 61 HD3 PRO 11 2HD PRO 11 -9.582 -10.310 -0.081 62 H SER 12 H SER 12 -10.943 -4.658 -0.067 63 HA SER 12 HA SER 12 -9.128 -3.811 -2.040 64 HB2 SER 12 1HB SER 12 -10.989 -2.418 -1.899 65 HB3 SER 12 2HB SER 12 -11.066 -2.507 -0.151 66 HG SER 12 HG SER 12 -9.502 -0.950 0.058 67 H LEU 13 H LEU 13 -7.173 -2.567 -1.792 68 HA LEU 13 HA LEU 13 -5.869 -3.055 0.763 69 HB2 LEU 13 1HB LEU 13 -4.954 -3.663 -1.577 70 HB3 LEU 13 2HB LEU 13 -4.579 -1.957 -1.718 71 HG LEU 13 HG LEU 13 -2.851 -3.779 -0.784 72 HD11 LEU 13 1HD1 LEU 13 -1.539 -1.973 0.091 73 HD12 LEU 13 2HD1 LEU 13 -2.450 -1.375 -1.317 74 HD13 LEU 13 3HD1 LEU 13 -2.988 -0.967 0.330 75 HD21 LEU 13 1HD2 LEU 13 -2.712 -3.838 1.595 76 HD22 LEU 13 2HD2 LEU 13 -4.046 -2.672 1.766 77 HD23 LEU 13 3HD2 LEU 13 -4.368 -4.309 1.144 78 H ARG 14 H ARG 14 -6.075 -1.517 2.295 79 HA ARG 14 HA ARG 14 -6.185 1.224 1.323 80 HB2 ARG 14 1HB ARG 14 -8.238 0.589 2.516 81 HB3 ARG 14 2HB ARG 14 -7.315 -0.039 3.868 82 HG2 ARG 14 1HG ARG 14 -6.324 2.395 4.034 83 HG3 ARG 14 2HG ARG 14 -7.681 2.857 3.025 84 HD2 ARG 14 1HD ARG 14 -8.781 1.187 5.060 85 HD3 ARG 14 2HD ARG 14 -7.646 2.240 5.881 86 HE ARG 14 HE ARG 14 -9.313 3.705 3.992 87 HH11 ARG 14 1HH1 ARG 14 -9.218 2.356 7.240 88 HH12 ARG 14 2HH1 ARG 14 -10.408 3.448 7.866 89 HH21 ARG 14 1HH2 ARG 14 -10.883 5.146 4.817 90 HH22 ARG 14 2HH2 ARG 14 -11.361 5.045 6.478 91 H LEU 15 H LEU 15 -4.300 2.351 1.681 92 HA LEU 15 HA LEU 15 -2.535 1.377 3.792 93 HB2 LEU 15 1HB LEU 15 -2.083 3.178 1.413 94 HB3 LEU 15 2HB LEU 15 -0.875 2.873 2.645 95 HG LEU 15 HG LEU 15 -2.147 0.687 0.980 96 HD11 LEU 15 1HD1 LEU 15 -0.459 0.808 -0.589 97 HD12 LEU 15 2HD1 LEU 15 -0.768 2.529 -0.251 98 HD13 LEU 15 3HD1 LEU 15 0.631 1.713 0.489 99 HD21 LEU 15 1HD2 LEU 15 -0.928 0.337 3.314 100 HD22 LEU 15 2HD2 LEU 15 -0.724 -0.800 1.959 101 HD23 LEU 15 3HD2 LEU 15 0.523 0.428 2.286 102 H VAL 16 H VAL 16 -2.882 2.273 5.755 103 HA VAL 16 HA VAL 16 -3.765 5.063 5.811 104 HB VAL 16 HB VAL 16 -3.824 2.865 7.888 105 HG11 VAL 16 1HG1 VAL 16 -3.484 5.198 8.803 106 HG12 VAL 16 2HG1 VAL 16 -5.063 5.624 8.101 107 HG13 VAL 16 3HG1 VAL 16 -4.957 4.368 9.359 108 HG21 VAL 16 1HG2 VAL 16 -6.410 3.864 7.311 109 HG22 VAL 16 2HG2 VAL 16 -5.612 3.578 5.746 110 HG23 VAL 16 3HG2 VAL 16 -5.744 2.258 6.933 111 H PHE 17 H PHE 17 -2.369 6.650 6.393 112 HA PHE 17 HA PHE 17 0.306 5.869 7.103 113 HB2 PHE 17 1HB PHE 17 -1.269 8.401 6.453 114 HB3 PHE 17 2HB PHE 17 0.321 8.568 7.170 115 HD1 PHE 17 HD1 PHE 17 2.266 7.341 5.961 116 HD2 PHE 17 HD2 PHE 17 -1.478 8.176 4.148 117 HE1 PHE 17 HE1 PHE 17 3.313 7.109 3.692 118 HE2 PHE 17 HE2 PHE 17 -0.431 7.943 1.878 119 HZ PHE 17 HZ PHE 17 1.952 7.412 1.677 120 H VAL 18 H VAL 18 0.147 4.979 9.226 121 HA VAL 18 HA VAL 18 -1.158 6.441 11.295 122 HB VAL 18 HB VAL 18 -0.042 4.712 12.734 123 HG11 VAL 18 1HG1 VAL 18 -2.228 4.175 12.143 124 HG12 VAL 18 2HG1 VAL 18 -1.835 4.023 10.413 125 HG13 VAL 18 3HG1 VAL 18 -1.316 2.763 11.558 126 HG21 VAL 18 1HG2 VAL 18 1.687 3.533 11.968 127 HG22 VAL 18 2HG2 VAL 18 0.667 2.858 10.675 128 HG23 VAL 18 3HG2 VAL 18 1.567 4.369 10.401 129 H LYS 19 H LYS 19 2.103 6.268 9.894 130 HA LYS 19 HA LYS 19 2.868 8.419 11.722 131 HB2 LYS 19 1HB LYS 19 4.505 5.940 11.122 132 HB3 LYS 19 2HB LYS 19 5.153 7.386 11.869 133 HG2 LYS 19 1HG LYS 19 2.817 6.848 13.356 134 HG3 LYS 19 2HG LYS 19 3.492 5.260 13.050 135 HD2 LYS 19 1HD LYS 19 5.723 6.078 13.906 136 HD3 LYS 19 2HD LYS 19 4.988 7.625 14.279 137 HE2 LYS 19 1HE LYS 19 3.289 6.331 15.728 138 HE3 LYS 19 2HE LYS 19 4.301 4.918 15.507 139 HZ1 LYS 19 1HZ LYS 19 5.934 5.810 16.764 140 HZ2 LYS 19 2HZ LYS 19 5.590 7.360 16.382 141 HZ3 LYS 19 3HZ LYS 19 4.669 6.563 17.470 142 H GLY 20 H GLY 20 5.394 8.960 10.709 143 HA2 GLY 20 1HA GLY 20 6.549 9.622 8.846 144 HA3 GLY 20 2HA GLY 20 5.250 9.057 7.814 145 HA PRO 21 HA PRO 21 4.960 13.606 8.082 146 HB2 PRO 21 1HB PRO 21 5.344 14.193 5.441 147 HB3 PRO 21 2HB PRO 21 6.632 14.231 6.628 148 HG2 PRO 21 1HG PRO 21 6.093 12.207 4.542 149 HG3 PRO 21 2HG PRO 21 7.572 12.494 5.437 150 HD2 PRO 21 1HD PRO 21 5.684 10.379 5.874 151 HD3 PRO 21 2HD PRO 21 7.102 10.735 6.841 152 H ARG 22 H ARG 22 3.490 11.127 6.279 153 HA ARG 22 HA ARG 22 1.304 12.893 5.622 154 HB2 ARG 22 1HB ARG 22 2.298 10.245 4.662 155 HB3 ARG 22 2HB ARG 22 0.552 10.386 4.715 156 HG2 ARG 22 1HG ARG 22 0.508 11.789 2.920 157 HG3 ARG 22 2HG ARG 22 1.766 12.809 3.588 158 HD2 ARG 22 1HD ARG 22 3.348 11.869 2.248 159 HD3 ARG 22 2HD ARG 22 2.906 10.251 2.755 160 HE ARG 22 HE ARG 22 1.627 10.017 0.811 161 HH11 ARG 22 1HH1 ARG 22 2.248 13.435 1.369 162 HH12 ARG 22 2HH1 ARG 22 1.566 13.937 -0.141 163 HH21 ARG 22 1HH2 ARG 22 0.726 10.679 -1.182 164 HH22 ARG 22 2HH2 ARG 22 0.694 12.359 -1.603 165 H GLU 23 H GLU 23 2.277 11.317 8.319 166 HA GLU 23 HA GLU 23 0.492 9.542 9.137 167 HB2 GLU 23 1HB GLU 23 2.294 10.266 10.579 168 HB3 GLU 23 2HB GLU 23 1.657 11.895 10.674 169 HG2 GLU 23 1HG GLU 23 -0.369 9.950 11.507 170 HG3 GLU 23 2HG GLU 23 1.104 9.738 12.433 171 H GLY 24 H GLY 24 -1.706 9.427 9.069 172 HA2 GLY 24 1HA GLY 24 -3.741 10.304 10.038 173 HA3 GLY 24 2HA GLY 24 -3.214 11.916 9.598 174 H ASP 25 H ASP 25 -2.138 10.007 7.083 175 HA ASP 25 HA ASP 25 -4.503 10.690 5.556 176 HB2 ASP 25 1HB ASP 25 -1.593 10.188 4.912 177 HB3 ASP 25 2HB ASP 25 -2.777 9.929 3.646 178 H ALA 26 H ALA 26 -5.282 9.035 3.917 179 HA ALA 26 HA ALA 26 -4.349 6.329 4.270 180 HB1 ALA 26 1HB ALA 26 -6.293 5.423 5.209 181 HB2 ALA 26 2HB ALA 26 -6.107 6.944 6.115 182 HB3 ALA 26 3HB ALA 26 -7.281 6.841 4.782 183 H LEU 27 H LEU 27 -4.726 5.102 2.420 184 HA LEU 27 HA LEU 27 -6.397 6.393 0.382 185 HB2 LEU 27 1HB LEU 27 -3.769 4.998 -0.128 186 HB3 LEU 27 2HB LEU 27 -4.795 5.785 -1.311 187 HG LEU 27 HG LEU 27 -3.928 7.535 0.904 188 HD11 LEU 27 1HD1 LEU 27 -1.879 6.521 -1.085 189 HD12 LEU 27 2HD1 LEU 27 -1.648 7.818 0.112 190 HD13 LEU 27 3HD1 LEU 27 -1.917 6.144 0.654 191 HD21 LEU 27 1HD2 LEU 27 -4.563 9.032 -0.601 192 HD22 LEU 27 2HD2 LEU 27 -3.229 8.524 -1.664 193 HD23 LEU 27 3HD2 LEU 27 -4.823 7.745 -1.803 194 H ASP 28 H ASP 28 -6.898 4.699 -1.446 195 HA ASP 28 HA ASP 28 -7.058 2.039 -0.359 196 HB2 ASP 28 1HB ASP 28 -9.452 1.841 -0.626 197 HB3 ASP 28 2HB ASP 28 -9.159 3.264 0.354 198 H TYR 29 H TYR 29 -7.370 0.443 -2.096 199 HA TYR 29 HA TYR 29 -7.651 1.500 -4.795 200 HB2 TYR 29 1HB TYR 29 -5.371 -0.268 -3.705 201 HB3 TYR 29 2HB TYR 29 -5.573 0.135 -5.398 202 HD1 TYR 29 HD1 TYR 29 -4.796 1.558 -2.056 203 HD2 TYR 29 HD2 TYR 29 -4.773 2.203 -6.285 204 HE1 TYR 29 HE1 TYR 29 -3.374 3.641 -1.737 205 HE2 TYR 29 HE2 TYR 29 -3.352 4.285 -5.952 206 HH TYR 29 HH TYR 29 -2.464 5.358 -2.684 207 H LYS 30 H LYS 30 -7.659 -0.462 -6.410 208 HA LYS 30 HA LYS 30 -9.433 -2.432 -5.209 209 HB2 LYS 30 1HB LYS 30 -9.039 -1.274 -7.921 210 HB3 LYS 30 2HB LYS 30 -9.537 -2.952 -7.855 211 HG2 LYS 30 1HG LYS 30 -11.653 -2.366 -7.285 212 HG3 LYS 30 2HG LYS 30 -11.078 -1.443 -5.911 213 HD2 LYS 30 1HD LYS 30 -10.384 0.233 -8.000 214 HD3 LYS 30 2HD LYS 30 -11.840 -0.508 -8.635 215 HE2 LYS 30 1HE LYS 30 -13.034 0.096 -6.483 216 HE3 LYS 30 2HE LYS 30 -11.586 0.924 -5.947 217 HZ1 LYS 30 1HZ LYS 30 -12.686 2.603 -6.946 218 HZ2 LYS 30 2HZ LYS 30 -11.860 2.074 -8.252 219 HZ3 LYS 30 3HZ LYS 30 -13.428 1.661 -8.055 220 HA PRO 31 HA PRO 31 -6.587 -5.658 -5.555 221 HB2 PRO 31 1HB PRO 31 -8.088 -7.807 -6.330 222 HB3 PRO 31 2HB PRO 31 -8.053 -7.205 -4.684 223 HG2 PRO 31 1HG PRO 31 -10.172 -6.905 -6.723 224 HG3 PRO 31 2HG PRO 31 -10.282 -6.696 -4.987 225 HD2 PRO 31 1HD PRO 31 -10.158 -4.619 -6.962 226 HD3 PRO 31 2HD PRO 31 -10.151 -4.412 -5.222 227 H GLY 32 H GLY 32 -4.903 -6.162 -6.818 228 HA2 GLY 32 1HA GLY 32 -4.046 -7.087 -8.785 229 HA3 GLY 32 2HA GLY 32 -5.531 -6.704 -9.632 230 H SER 33 H SER 33 -4.476 -4.146 -7.543 231 HA SER 33 HA SER 33 -3.405 -2.783 -9.887 232 HB2 SER 33 1HB SER 33 -5.175 -1.915 -7.628 233 HB3 SER 33 2HB SER 33 -4.015 -0.735 -8.205 234 HG SER 33 HG SER 33 -4.900 -0.873 -10.311 235 H THR 34 H THR 34 -1.186 -2.728 -9.794 236 HA THR 34 HA THR 34 0.231 -3.071 -7.368 237 HB THR 34 HB THR 34 1.085 -2.121 -10.155 238 HG1 THR 34 HG1 THR 34 -0.036 -4.299 -9.681 239 HG21 THR 34 1HG2 THR 34 2.748 -3.551 -8.028 240 HG22 THR 34 2HG2 THR 34 3.316 -2.826 -9.552 241 HG23 THR 34 3HG2 THR 34 2.777 -1.781 -8.215 242 H ILE 35 H ILE 35 0.730 -1.681 -5.801 243 HA ILE 35 HA ILE 35 0.446 1.166 -6.456 244 HB ILE 35 HB ILE 35 0.106 -0.328 -3.856 245 HG12 ILE 35 1HG1 ILE 35 -2.131 1.289 -4.575 246 HG13 ILE 35 2HG1 ILE 35 -1.694 0.341 -5.983 247 HG21 ILE 35 1HG2 ILE 35 1.125 2.206 -4.064 248 HG22 ILE 35 2HG2 ILE 35 -0.621 2.517 -3.919 249 HG23 ILE 35 3HG2 ILE 35 0.220 1.567 -2.671 250 HD11 ILE 35 1HD1 ILE 35 -3.226 -1.001 -4.689 251 HD12 ILE 35 2HD1 ILE 35 -1.611 -1.714 -4.461 252 HD13 ILE 35 3HD1 ILE 35 -2.322 -0.695 -3.186 253 H ARG 36 H ARG 36 2.505 1.652 -7.221 254 HA ARG 36 HA ARG 36 4.766 0.662 -5.836 255 HB2 ARG 36 1HB ARG 36 4.516 2.826 -7.988 256 HB3 ARG 36 2HB ARG 36 6.035 2.143 -7.443 257 HG2 ARG 36 1HG ARG 36 5.738 0.197 -8.624 258 HG3 ARG 36 2HG ARG 36 4.035 0.093 -8.224 259 HD2 ARG 36 1HD ARG 36 3.454 0.958 -10.243 260 HD3 ARG 36 2HD ARG 36 4.435 2.383 -9.962 261 HE ARG 36 HE ARG 36 6.031 0.046 -10.698 262 HH11 ARG 36 1HH1 ARG 36 4.134 2.730 -11.954 263 HH12 ARG 36 2HH1 ARG 36 4.935 2.744 -13.490 264 HH21 ARG 36 1HH2 ARG 36 7.088 0.064 -12.724 265 HH22 ARG 36 2HH2 ARG 36 6.626 1.217 -13.931 266 H VAL 37 H VAL 37 5.249 1.476 -3.810 267 HA VAL 37 HA VAL 37 4.610 4.257 -3.256 268 HB VAL 37 HB VAL 37 5.656 2.061 -1.460 269 HG11 VAL 37 1HG1 VAL 37 4.441 3.699 0.240 270 HG12 VAL 37 2HG1 VAL 37 6.131 3.957 -0.255 271 HG13 VAL 37 3HG1 VAL 37 4.828 4.903 -1.012 272 HG21 VAL 37 1HG2 VAL 37 3.561 1.268 -2.121 273 HG22 VAL 37 2HG2 VAL 37 3.200 2.161 -0.624 274 HG23 VAL 37 3HG2 VAL 37 2.858 2.900 -2.207 275 H GLY 38 H GLY 38 6.094 5.830 -3.554 276 HA2 GLY 38 1HA GLY 38 8.934 5.116 -3.192 277 HA3 GLY 38 2HA GLY 38 8.397 5.967 -4.626 278 H ARG 39 H ARG 39 9.547 7.905 -4.214 279 HA ARG 39 HA ARG 39 8.628 9.303 -1.831 280 HB2 ARG 39 1HB ARG 39 11.005 9.005 -1.622 281 HB3 ARG 39 2HB ARG 39 11.286 9.366 -3.313 282 HG2 ARG 39 1HG ARG 39 10.739 11.720 -2.987 283 HG3 ARG 39 2HG ARG 39 10.153 11.420 -1.363 284 HD2 ARG 39 1HD ARG 39 12.260 11.464 -0.467 285 HD3 ARG 39 2HD ARG 39 12.924 10.464 -1.744 286 HE ARG 39 HE ARG 39 12.293 13.159 -2.671 287 HH11 ARG 39 1HH1 ARG 39 14.714 11.206 -1.026 288 HH12 ARG 39 2HH1 ARG 39 16.026 12.261 -1.434 289 HH21 ARG 39 1HH2 ARG 39 14.023 14.550 -3.209 290 HH22 ARG 39 2HH2 ARG 39 15.631 14.175 -2.684 291 H ILE 40 H ILE 40 8.466 9.098 -5.227 292 HA ILE 40 HA ILE 40 7.570 11.886 -5.369 293 HB ILE 40 HB ILE 40 8.437 11.803 -7.769 294 HG12 ILE 40 1HG1 ILE 40 10.355 9.736 -6.694 295 HG13 ILE 40 2HG1 ILE 40 8.903 9.272 -7.558 296 HG21 ILE 40 1HG2 ILE 40 10.515 12.761 -7.134 297 HG22 ILE 40 2HG2 ILE 40 9.352 13.150 -5.844 298 HG23 ILE 40 3HG2 ILE 40 10.548 11.853 -5.604 299 HD11 ILE 40 1HD1 ILE 40 9.594 10.655 -9.505 300 HD12 ILE 40 2HD1 ILE 40 11.061 11.150 -8.627 301 HD13 ILE 40 3HD1 ILE 40 10.838 9.448 -9.098 302 H VAL 41 H VAL 41 5.475 12.031 -5.959 303 HA VAL 41 HA VAL 41 3.935 9.785 -6.455 304 HB VAL 41 HB VAL 41 2.275 11.530 -7.296 305 HG11 VAL 41 1HG1 VAL 41 2.268 10.708 -5.002 306 HG12 VAL 41 2HG1 VAL 41 3.550 11.861 -4.559 307 HG13 VAL 41 3HG1 VAL 41 1.939 12.457 -5.026 308 HG21 VAL 41 1HG2 VAL 41 4.561 13.086 -7.592 309 HG22 VAL 41 2HG2 VAL 41 2.877 13.658 -7.646 310 HG23 VAL 41 3HG2 VAL 41 3.794 13.733 -6.122 311 H ARG 42 H ARG 42 5.901 11.800 -8.600 312 HA ARG 42 HA ARG 42 4.898 11.628 -10.977 313 HB2 ARG 42 1HB ARG 42 7.665 11.215 -9.933 314 HB3 ARG 42 2HB ARG 42 7.426 10.661 -11.578 315 HG2 ARG 42 1HG ARG 42 7.563 12.800 -12.310 316 HG3 ARG 42 2HG ARG 42 6.115 13.195 -11.404 317 HD2 ARG 42 1HD ARG 42 7.942 13.206 -9.363 318 HD3 ARG 42 2HD ARG 42 8.989 13.665 -10.691 319 HE ARG 42 HE ARG 42 6.765 15.243 -9.582 320 HH11 ARG 42 1HH1 ARG 42 8.970 14.808 -12.289 321 HH12 ARG 42 2HH1 ARG 42 8.794 16.434 -12.859 322 HH21 ARG 42 1HH2 ARG 42 6.532 17.389 -10.333 323 HH22 ARG 42 2HH2 ARG 42 7.398 17.912 -11.739 324 H GLY 43 H GLY 43 7.297 9.000 -10.463 325 HA2 GLY 43 1HA GLY 43 5.474 7.145 -11.830 326 HA3 GLY 43 2HA GLY 43 7.213 6.997 -11.679 327 H ASN 44 H ASN 44 4.391 7.410 -9.411 328 HA ASN 44 HA ASN 44 4.936 4.901 -8.234 329 HB2 ASN 44 1HB ASN 44 5.518 7.449 -6.635 330 HB3 ASN 44 2HB ASN 44 5.350 5.864 -5.906 331 HD21 ASN 44 1HD2 ASN 44 7.517 8.056 -6.870 332 HD22 ASN 44 2HD2 ASN 44 8.883 7.068 -7.268 333 H GLU 45 H GLU 45 3.007 4.196 -7.188 334 HA GLU 45 HA GLU 45 0.710 5.670 -7.635 335 HB2 GLU 45 1HB GLU 45 1.206 3.075 -7.099 336 HB3 GLU 45 2HB GLU 45 0.737 3.569 -5.485 337 HG2 GLU 45 1HG GLU 45 -1.381 3.121 -6.267 338 HG3 GLU 45 2HG GLU 45 -1.272 4.761 -6.875 339 H ILE 46 H ILE 46 2.901 5.416 -4.825 340 HA ILE 46 HA ILE 46 1.451 7.645 -3.626 341 HB ILE 46 HB ILE 46 2.159 5.085 -2.188 342 HG12 ILE 46 1HG1 ILE 46 -0.555 6.369 -2.587 343 HG13 ILE 46 2HG1 ILE 46 0.075 5.097 -3.615 344 HG21 ILE 46 1HG2 ILE 46 2.675 6.983 -0.772 345 HG22 ILE 46 2HG2 ILE 46 1.078 7.699 -1.100 346 HG23 ILE 46 3HG2 ILE 46 1.199 6.173 -0.192 347 HD11 ILE 46 1HD1 ILE 46 -1.209 3.939 -1.986 348 HD12 ILE 46 2HD1 ILE 46 0.468 3.755 -1.417 349 HD13 ILE 46 3HD1 ILE 46 -0.603 4.958 -0.658 350 H ALA 47 H ALA 47 2.801 9.194 -2.778 351 HA ALA 47 HA ALA 47 5.643 8.458 -2.626 352 HB1 ALA 47 1HB ALA 47 6.208 10.127 -4.046 353 HB2 ALA 47 2HB ALA 47 4.498 10.102 -4.542 354 HB3 ALA 47 3HB ALA 47 5.052 11.262 -3.310 355 H ILE 48 H ILE 48 6.741 9.180 -0.808 356 HA ILE 48 HA ILE 48 5.158 10.836 1.031 357 HB ILE 48 HB ILE 48 6.883 8.440 1.663 358 HG12 ILE 48 1HG1 ILE 48 4.079 8.591 2.587 359 HG13 ILE 48 2HG1 ILE 48 4.274 8.467 0.850 360 HG21 ILE 48 1HG2 ILE 48 5.922 8.946 4.032 361 HG22 ILE 48 2HG2 ILE 48 7.352 9.831 3.447 362 HG23 ILE 48 3HG2 ILE 48 5.749 10.605 3.409 363 HD11 ILE 48 1HD1 ILE 48 5.560 6.428 1.039 364 HD12 ILE 48 2HD1 ILE 48 5.727 6.628 2.800 365 HD13 ILE 48 3HD1 ILE 48 4.139 6.241 2.095 366 H LYS 49 H LYS 49 6.167 12.635 1.817 367 HA LYS 49 HA LYS 49 8.872 13.078 0.845 368 HB2 LYS 49 1HB LYS 49 6.682 14.878 1.884 369 HB3 LYS 49 2HB LYS 49 8.330 15.447 1.714 370 HG2 LYS 49 1HG LYS 49 7.010 14.020 -0.610 371 HG3 LYS 49 2HG LYS 49 6.613 15.699 -0.299 372 HD2 LYS 49 1HD LYS 49 8.530 16.351 -1.313 373 HD3 LYS 49 2HD LYS 49 9.468 15.480 -0.115 374 HE2 LYS 49 1HE LYS 49 9.811 13.656 -1.497 375 HE3 LYS 49 2HE LYS 49 8.224 13.773 -2.230 376 HZ1 LYS 49 1HZ LYS 49 9.099 14.898 -3.888 377 HZ2 LYS 49 2HZ LYS 49 9.746 16.025 -2.898 378 HZ3 LYS 49 3HZ LYS 49 10.592 14.677 -3.265 379 H ASP 50 H ASP 50 9.558 11.308 2.447 380 HA ASP 50 HA ASP 50 9.859 12.538 5.073 381 HB2 ASP 50 1HB ASP 50 8.662 10.469 5.318 382 HB3 ASP 50 2HB ASP 50 9.693 9.642 4.167 383 H ALA 51 H ALA 51 11.372 11.738 2.124 384 HA ALA 51 HA ALA 51 13.495 11.970 1.480 385 HB1 ALA 51 1HB ALA 51 15.117 12.895 2.878 386 HB2 ALA 51 2HB ALA 51 13.616 13.431 3.670 387 HB3 ALA 51 3HB ALA 51 14.515 12.038 4.317 388 H GLY 52 H GLY 52 13.319 10.044 4.562 389 HA2 GLY 52 1HA GLY 52 15.234 8.176 4.084 390 HA3 GLY 52 2HA GLY 52 13.734 7.859 4.933 391 H ILE 53 H ILE 53 12.163 8.613 2.374 392 HA ILE 53 HA ILE 53 12.383 5.960 1.196 393 HB ILE 53 HB ILE 53 10.257 8.088 0.919 394 HG12 ILE 53 1HG1 ILE 53 9.726 5.561 2.381 395 HG13 ILE 53 2HG1 ILE 53 10.793 6.694 3.184 396 HG21 ILE 53 1HG2 ILE 53 10.315 6.651 -1.032 397 HG22 ILE 53 2HG2 ILE 53 10.314 5.201 0.000 398 HG23 ILE 53 3HG2 ILE 53 8.891 6.269 -0.035 399 HD11 ILE 53 1HD1 ILE 53 8.822 7.620 3.910 400 HD12 ILE 53 2HD1 ILE 53 8.852 8.422 2.321 401 HD13 ILE 53 3HD1 ILE 53 7.889 6.943 2.553 402 H SER 54 H SER 54 12.852 5.587 -0.979 403 HA SER 54 HA SER 54 13.950 7.926 -2.312 404 HB2 SER 54 1HB SER 54 15.232 5.630 -1.785 405 HB3 SER 54 2HB SER 54 14.456 5.112 -3.268 406 HG SER 54 HG SER 54 15.722 6.414 -4.444 407 H THR 55 H THR 55 13.637 8.053 -4.731 408 HA THR 55 HA THR 55 11.081 8.147 -5.526 409 HB THR 55 HB THR 55 12.091 7.851 -7.879 410 HG1 THR 55 HG1 THR 55 14.567 7.739 -6.372 411 HG21 THR 55 1HG2 THR 55 13.392 9.642 -5.783 412 HG22 THR 55 2HG2 THR 55 13.952 9.652 -7.473 413 HG23 THR 55 3HG2 THR 55 12.275 10.106 -7.088 414 H LYS 56 H LYS 56 13.201 5.241 -5.976 415 HA LYS 56 HA LYS 56 10.706 3.718 -6.288 416 HB2 LYS 56 1HB LYS 56 13.388 3.432 -7.645 417 HB3 LYS 56 2HB LYS 56 12.267 2.089 -7.545 418 HG2 LYS 56 1HG LYS 56 11.182 2.925 -9.350 419 HG3 LYS 56 2HG LYS 56 10.677 4.286 -8.368 420 HD2 LYS 56 1HD LYS 56 13.083 5.248 -8.918 421 HD3 LYS 56 2HD LYS 56 13.064 4.084 -10.228 422 HE2 LYS 56 1HE LYS 56 10.740 5.081 -10.857 423 HE3 LYS 56 2HE LYS 56 11.130 6.391 -9.761 424 HZ1 LYS 56 1HZ LYS 56 11.977 6.080 -12.355 425 HZ2 LYS 56 2HZ LYS 56 12.408 7.257 -11.308 426 HZ3 LYS 56 3HZ LYS 56 13.313 5.902 -11.432 427 H HIS 57 H HIS 57 10.829 3.870 -3.820 428 HA HIS 57 HA HIS 57 12.918 2.485 -2.526 429 HB2 HIS 57 1HB HIS 57 11.544 4.242 -1.469 430 HB3 HIS 57 2HB HIS 57 10.137 3.202 -1.556 431 HD2 HIS 57 HD2 HIS 57 11.135 0.461 -0.235 432 HE1 HIS 57 HE1 HIS 57 12.709 2.831 2.930 433 HE2 HIS 57 HE2 HIS 57 11.939 0.476 2.183 434 H LEU 58 H LEU 58 9.403 1.623 -2.926 435 HA LEU 58 HA LEU 58 10.165 -1.075 -3.584 436 HB2 LEU 58 1HB LEU 58 8.804 -2.059 -1.765 437 HB3 LEU 58 2HB LEU 58 10.300 -1.310 -1.242 438 HG LEU 58 HG LEU 58 9.151 0.569 -0.311 439 HD11 LEU 58 1HD1 LEU 58 6.711 -0.512 -1.726 440 HD12 LEU 58 2HD1 LEU 58 6.614 0.673 -0.401 441 HD13 LEU 58 3HD1 LEU 58 7.485 1.082 -1.899 442 HD21 LEU 58 1HD2 LEU 58 8.270 -2.165 0.408 443 HD22 LEU 58 2HD2 LEU 58 9.054 -0.906 1.392 444 HD23 LEU 58 3HD2 LEU 58 7.304 -0.828 1.078 445 H ARG 59 H ARG 59 7.993 -2.409 -3.876 446 HA ARG 59 HA ARG 59 5.960 -0.566 -4.823 447 HB2 ARG 59 1HB ARG 59 5.760 -1.689 -6.938 448 HB3 ARG 59 2HB ARG 59 7.482 -1.457 -6.708 449 HG2 ARG 59 1HG ARG 59 7.467 -3.838 -5.626 450 HG3 ARG 59 2HG ARG 59 5.875 -4.014 -6.338 451 HD2 ARG 59 1HD ARG 59 6.705 -3.904 -8.558 452 HD3 ARG 59 2HD ARG 59 8.173 -3.075 -8.079 453 HE ARG 59 HE ARG 59 8.356 -5.513 -6.765 454 HH11 ARG 59 1HH1 ARG 59 7.869 -4.564 -10.118 455 HH12 ARG 59 2HH1 ARG 59 8.635 -5.977 -10.763 456 HH21 ARG 59 1HH2 ARG 59 9.367 -7.378 -7.615 457 HH22 ARG 59 2HH2 ARG 59 9.493 -7.588 -9.330 458 H ILE 60 H ILE 60 3.778 -1.424 -4.737 459 HA ILE 60 HA ILE 60 3.602 -3.910 -3.184 460 HB ILE 60 HB ILE 60 1.909 -1.418 -3.187 461 HG12 ILE 60 1HG1 ILE 60 3.415 -2.836 -0.969 462 HG13 ILE 60 2HG1 ILE 60 3.981 -1.413 -1.821 463 HG21 ILE 60 1HG2 ILE 60 1.280 -3.921 -1.620 464 HG22 ILE 60 2HG2 ILE 60 0.281 -2.465 -1.849 465 HG23 ILE 60 3HG2 ILE 60 0.558 -3.577 -3.211 466 HD11 ILE 60 1HD1 ILE 60 2.191 -0.052 -0.972 467 HD12 ILE 60 2HD1 ILE 60 1.285 -1.476 -0.407 468 HD13 ILE 60 3HD1 ILE 60 2.787 -0.993 0.416 469 H GLU 61 H GLU 61 2.383 -5.594 -3.963 470 HA GLU 61 HA GLU 61 0.661 -5.026 -6.214 471 HB2 GLU 61 1HB GLU 61 1.618 -6.913 -7.529 472 HB3 GLU 61 2HB GLU 61 2.781 -5.626 -7.279 473 HG2 GLU 61 1HG GLU 61 4.151 -7.339 -6.601 474 HG3 GLU 61 2HG GLU 61 3.321 -7.138 -5.070 475 H SER 62 H SER 62 -0.657 -7.112 -6.792 476 HA SER 62 HA SER 62 -1.026 -8.662 -4.352 477 HB2 SER 62 1HB SER 62 -2.919 -7.318 -4.209 478 HB3 SER 62 2HB SER 62 -3.029 -7.090 -5.943 479 HG SER 62 HG SER 62 -3.914 -9.180 -6.182 480 H ASP 63 H ASP 63 -1.453 -10.891 -4.674 481 HA ASP 63 HA ASP 63 -1.855 -11.732 -7.410 482 HB2 ASP 63 1HB ASP 63 0.507 -12.383 -5.650 483 HB3 ASP 63 2HB ASP 63 -0.109 -13.656 -6.685 484 H SER 64 H SER 64 -2.648 -14.053 -7.476 485 HA SER 64 HA SER 64 -4.191 -15.456 -6.792 486 HB2 SER 64 1HB SER 64 -1.813 -15.752 -5.051 487 HB3 SER 64 2HB SER 64 -3.258 -16.481 -4.379 488 HG SER 64 HG SER 64 -1.688 -17.326 -6.495 489 H GLY 65 H GLY 65 -5.518 -13.307 -6.348 490 HA2 GLY 65 1HA GLY 65 -6.836 -12.048 -4.998 491 HA3 GLY 65 2HA GLY 65 -7.306 -13.618 -4.377 492 H ASN 66 H ASN 66 -4.092 -11.990 -4.067 493 HA ASN 66 HA ASN 66 -4.675 -11.500 -1.284 494 HB2 ASN 66 1HB ASN 66 -2.501 -13.356 -2.335 495 HB3 ASN 66 2HB ASN 66 -2.266 -12.508 -0.819 496 HD21 ASN 66 1HD2 ASN 66 -3.727 -12.840 0.910 497 HD22 ASN 66 2HD2 ASN 66 -4.644 -14.301 1.059 498 H TRP 67 H TRP 67 -2.718 -10.196 -0.297 499 HA TRP 67 HA TRP 67 -1.553 -8.541 -2.431 500 HB2 TRP 67 1HB TRP 67 -2.439 -7.812 0.362 501 HB3 TRP 67 2HB TRP 67 -1.461 -6.768 -0.650 502 HD1 TRP 67 HD1 TRP 67 -5.047 -8.189 -0.447 503 HE1 TRP 67 HE1 TRP 67 -6.711 -6.791 -1.945 504 HE3 TRP 67 HE3 TRP 67 -1.478 -5.311 -2.647 505 HZ2 TRP 67 HZ2 TRP 67 -6.355 -4.686 -3.838 506 HZ3 TRP 67 HZ3 TRP 67 -2.221 -3.608 -4.309 507 HH2 TRP 67 HH2 TRP 67 -4.566 -3.272 -4.914 508 H VAL 68 H VAL 68 0.692 -8.066 -2.280 509 HA VAL 68 HA VAL 68 2.120 -9.257 -0.034 510 HB VAL 68 HB VAL 68 3.500 -10.588 -1.325 511 HG11 VAL 68 1HG1 VAL 68 2.050 -12.044 -2.648 512 HG12 VAL 68 2HG1 VAL 68 1.220 -11.519 -1.164 513 HG13 VAL 68 3HG1 VAL 68 0.810 -10.770 -2.725 514 HG21 VAL 68 1HG2 VAL 68 2.901 -8.647 -3.446 515 HG22 VAL 68 2HG2 VAL 68 4.364 -9.620 -3.158 516 HG23 VAL 68 3HG2 VAL 68 2.979 -10.329 -4.023 517 H ILE 69 H ILE 69 4.291 -8.355 0.238 518 HA ILE 69 HA ILE 69 4.593 -5.817 -1.213 519 HB ILE 69 HB ILE 69 3.812 -5.431 1.051 520 HG12 ILE 69 1HG1 ILE 69 6.653 -4.610 1.297 521 HG13 ILE 69 2HG1 ILE 69 5.859 -4.162 -0.200 522 HG21 ILE 69 1HG2 ILE 69 6.250 -7.016 1.900 523 HG22 ILE 69 2HG2 ILE 69 5.250 -6.026 2.989 524 HG23 ILE 69 3HG2 ILE 69 4.541 -7.435 2.165 525 HD11 ILE 69 1HD1 ILE 69 4.851 -2.450 0.881 526 HD12 ILE 69 2HD1 ILE 69 3.981 -3.630 1.890 527 HD13 ILE 69 3HD1 ILE 69 5.552 -2.987 2.426 528 H GLN 70 H GLN 70 6.722 -5.216 -1.809 529 HA GLN 70 HA GLN 70 8.768 -7.170 -1.197 530 HB2 GLN 70 1HB GLN 70 7.653 -7.729 -3.432 531 HB3 GLN 70 2HB GLN 70 8.272 -6.209 -4.045 532 HG2 GLN 70 1HG GLN 70 10.312 -7.130 -4.407 533 HG3 GLN 70 2HG GLN 70 10.439 -7.600 -2.723 534 HE21 GLN 70 1HE2 GLN 70 8.308 -8.532 -5.425 535 HE22 GLN 70 2HE2 GLN 70 8.573 -10.242 -5.334 536 H ASP 71 H ASP 71 10.608 -6.136 -0.539 537 HA ASP 71 HA ASP 71 10.676 -3.302 -0.795 538 HB2 ASP 71 1HB ASP 71 11.435 -4.244 1.293 539 HB3 ASP 71 2HB ASP 71 12.489 -5.385 0.482 540 H LEU 72 H LEU 72 11.364 -2.484 -2.792 541 HA LEU 72 HA LEU 72 13.033 -3.984 -4.519 542 HB2 LEU 72 1HB LEU 72 12.024 -1.143 -4.538 543 HB3 LEU 72 2HB LEU 72 13.057 -1.791 -5.796 544 HG LEU 72 HG LEU 72 11.414 -3.185 -6.641 545 HD11 LEU 72 1HD1 LEU 72 9.844 -2.965 -4.058 546 HD12 LEU 72 2HD1 LEU 72 9.457 -3.984 -5.466 547 HD13 LEU 72 3HD1 LEU 72 10.915 -4.316 -4.500 548 HD21 LEU 72 1HD2 LEU 72 9.484 -1.852 -7.035 549 HD22 LEU 72 2HD2 LEU 72 9.712 -0.950 -5.517 550 HD23 LEU 72 3HD2 LEU 72 10.863 -0.740 -6.859 551 H GLY 73 H GLY 73 14.587 -4.307 -2.510 552 HA2 GLY 73 1HA GLY 73 16.494 -3.752 -1.405 553 HA3 GLY 73 2HA GLY 73 17.046 -3.417 -3.034 554 H SER 74 H SER 74 14.584 -1.643 -1.054 555 HA SER 74 HA SER 74 15.325 0.828 -1.829 556 HB2 SER 74 1HB SER 74 13.969 1.640 -0.082 557 HB3 SER 74 2HB SER 74 13.339 0.028 -0.354 558 HG SER 74 HG SER 74 13.848 0.769 1.956 559 H SER 75 H SER 75 16.399 2.618 -0.462 560 HA SER 75 HA SER 75 18.935 1.585 0.398 561 HB2 SER 75 1HB SER 75 17.886 4.121 -0.648 562 HB3 SER 75 2HB SER 75 18.933 4.383 0.733 563 HG SER 75 HG SER 75 19.550 3.098 -1.770 564 H ASN 76 H ASN 76 17.688 0.528 2.318 565 HA ASN 76 HA ASN 76 18.408 1.654 4.626 566 HB2 ASN 76 1HB ASN 76 15.941 2.917 3.615 567 HB3 ASN 76 2HB ASN 76 15.674 2.173 5.179 568 HD21 ASN 76 1HD2 ASN 76 15.787 4.987 4.359 569 HD22 ASN 76 2HD2 ASN 76 16.983 5.759 5.346 570 H GLY 77 H GLY 77 15.453 0.212 3.067 571 HA2 GLY 77 1HA GLY 77 15.109 -2.159 3.245 572 HA3 GLY 77 2HA GLY 77 15.715 -2.101 4.888 573 H THR 78 H THR 78 13.046 -3.006 3.732 574 HA THR 78 HA THR 78 11.257 -1.076 5.023 575 HB THR 78 HB THR 78 10.609 -3.514 3.290 576 HG1 THR 78 HG1 THR 78 11.178 -2.151 1.631 577 HG21 THR 78 1HG2 THR 78 8.831 -2.099 4.745 578 HG22 THR 78 2HG2 THR 78 9.028 -0.942 3.406 579 HG23 THR 78 3HG2 THR 78 8.460 -2.596 3.077 580 H LEU 79 H LEU 79 9.780 -1.673 6.652 581 HA LEU 79 HA LEU 79 10.492 -4.205 7.964 582 HB2 LEU 79 1HB LEU 79 10.058 -1.460 9.109 583 HB3 LEU 79 2HB LEU 79 9.810 -2.897 10.082 584 HG LEU 79 HG LEU 79 12.407 -2.294 8.648 585 HD11 LEU 79 1HD1 LEU 79 11.441 -1.456 11.371 586 HD12 LEU 79 2HD1 LEU 79 13.171 -1.728 11.054 587 HD13 LEU 79 3HD1 LEU 79 12.277 -0.503 10.121 588 HD21 LEU 79 1HD2 LEU 79 12.216 -4.025 11.070 589 HD22 LEU 79 2HD2 LEU 79 11.635 -4.681 9.521 590 HD23 LEU 79 3HD2 LEU 79 13.316 -4.115 9.674 591 H LEU 80 H LEU 80 8.790 -5.460 8.779 592 HA LEU 80 HA LEU 80 6.111 -4.407 8.211 593 HB2 LEU 80 1HB LEU 80 6.963 -5.988 6.457 594 HB3 LEU 80 2HB LEU 80 7.017 -7.238 7.685 595 HG LEU 80 HG LEU 80 4.602 -7.089 8.004 596 HD11 LEU 80 1HD1 LEU 80 3.869 -4.952 7.667 597 HD12 LEU 80 2HD1 LEU 80 4.878 -4.708 6.221 598 HD13 LEU 80 3HD1 LEU 80 3.394 -5.684 6.116 599 HD21 LEU 80 1HD2 LEU 80 3.908 -8.114 5.968 600 HD22 LEU 80 2HD2 LEU 80 5.195 -7.302 5.045 601 HD23 LEU 80 3HD2 LEU 80 5.611 -8.559 6.235 602 H ASN 81 H ASN 81 5.342 -3.996 10.234 603 HA ASN 81 HA ASN 81 4.557 -4.403 12.217 604 HB2 ASN 81 1HB ASN 81 5.320 -7.341 11.787 605 HB3 ASN 81 2HB ASN 81 4.240 -6.746 13.032 606 HD21 ASN 81 1HD2 ASN 81 4.469 -8.016 9.973 607 HD22 ASN 81 2HD2 ASN 81 2.899 -7.638 9.347 608 H SER 82 H SER 82 7.189 -6.918 11.914 609 HA SER 82 HA SER 82 8.975 -5.366 13.459 610 HB2 SER 82 1HB SER 82 7.473 -7.655 14.743 611 HB3 SER 82 2HB SER 82 9.133 -7.353 15.217 612 HG SER 82 HG SER 82 8.083 -4.953 15.302 613 H ASN 83 H ASN 83 9.525 -6.117 11.005 614 HA ASN 83 HA ASN 83 11.631 -7.928 11.299 615 HB2 ASN 83 1HB ASN 83 9.464 -9.425 11.045 616 HB3 ASN 83 2HB ASN 83 9.495 -8.921 9.367 617 HD21 ASN 83 1HD2 ASN 83 10.590 -10.112 8.011 618 HD22 ASN 83 2HD2 ASN 83 11.881 -11.207 8.379 619 H ALA 84 H ALA 84 13.128 -7.431 9.635 620 HA ALA 84 HA ALA 84 12.367 -5.359 7.809 621 HB1 ALA 84 1HB ALA 84 14.523 -4.926 8.331 622 HB2 ALA 84 2HB ALA 84 14.815 -6.596 8.874 623 HB3 ALA 84 3HB ALA 84 14.931 -6.189 7.145 624 H LEU 85 H LEU 85 11.527 -5.657 5.809 625 HA LEU 85 HA LEU 85 11.145 -8.253 4.792 626 HB2 LEU 85 1HB LEU 85 10.873 -5.570 3.428 627 HB3 LEU 85 2HB LEU 85 10.233 -7.093 2.841 628 HG LEU 85 HG LEU 85 9.418 -5.863 5.485 629 HD11 LEU 85 1HD1 LEU 85 8.060 -4.431 4.472 630 HD12 LEU 85 2HD1 LEU 85 8.845 -4.848 2.930 631 HD13 LEU 85 3HD1 LEU 85 7.379 -5.716 3.446 632 HD21 LEU 85 1HD2 LEU 85 7.955 -7.561 5.744 633 HD22 LEU 85 2HD2 LEU 85 7.636 -7.706 3.999 634 HD23 LEU 85 3HD2 LEU 85 9.108 -8.423 4.697 635 H ASP 86 H ASP 86 11.864 -8.886 2.496 636 HA ASP 86 HA ASP 86 14.655 -8.092 2.204 637 HB2 ASP 86 1HB ASP 86 13.643 -10.642 2.786 638 HB3 ASP 86 2HB ASP 86 13.896 -10.710 1.053 639 HA PRO 87 HA PRO 87 13.497 -7.258 -1.943 640 HB2 PRO 87 1HB PRO 87 15.883 -7.471 -3.258 641 HB3 PRO 87 2HB PRO 87 15.420 -6.055 -2.336 642 HG2 PRO 87 1HG PRO 87 17.347 -8.181 -1.626 643 HG3 PRO 87 2HG PRO 87 17.184 -6.575 -0.944 644 HD2 PRO 87 1HD PRO 87 16.307 -9.038 0.236 645 HD3 PRO 87 2HD PRO 87 16.041 -7.423 0.862 646 H GLU 88 H GLU 88 15.447 -10.146 -1.546 647 HA GLU 88 HA GLU 88 14.316 -11.204 -3.959 648 HB2 GLU 88 1HB GLU 88 16.239 -12.395 -1.914 649 HB3 GLU 88 2HB GLU 88 15.747 -13.210 -3.385 650 HG2 GLU 88 1HG GLU 88 16.536 -10.928 -4.540 651 HG3 GLU 88 2HG GLU 88 17.467 -10.744 -3.066 652 H THR 89 H THR 89 12.840 -10.595 -1.223 653 HA THR 89 HA THR 89 11.317 -13.090 -1.284 654 HB THR 89 HB THR 89 12.160 -11.764 1.332 655 HG1 THR 89 HG1 THR 89 14.110 -12.683 0.832 656 HG21 THR 89 1HG2 THR 89 10.262 -13.692 0.895 657 HG22 THR 89 2HG2 THR 89 11.718 -14.712 0.992 658 HG23 THR 89 3HG2 THR 89 11.280 -13.654 2.355 659 H SER 90 H SER 90 9.119 -12.859 -0.956 660 HA SER 90 HA SER 90 8.274 -10.113 -0.475 661 HB2 SER 90 1HB SER 90 8.084 -11.383 -2.933 662 HB3 SER 90 2HB SER 90 6.510 -11.719 -2.240 663 HG SER 90 HG SER 90 7.389 -9.059 -1.918 664 H VAL 91 H VAL 91 6.781 -9.947 1.174 665 HA VAL 91 HA VAL 91 5.647 -12.463 2.146 666 HB VAL 91 HB VAL 91 5.801 -9.775 3.518 667 HG11 VAL 91 1HG1 VAL 91 4.835 -12.483 4.269 668 HG12 VAL 91 2HG1 VAL 91 5.788 -11.616 5.497 669 HG13 VAL 91 3HG1 VAL 91 4.312 -10.877 4.831 670 HG21 VAL 91 1HG2 VAL 91 7.809 -10.465 4.607 671 HG22 VAL 91 2HG2 VAL 91 7.700 -12.104 3.920 672 HG23 VAL 91 3HG2 VAL 91 8.058 -10.718 2.862 673 H ASN 92 H ASN 92 3.359 -12.375 2.966 674 HA ASN 92 HA ASN 92 1.807 -10.930 1.013 675 HB2 ASN 92 1HB ASN 92 -0.056 -12.403 1.759 676 HB3 ASN 92 2HB ASN 92 1.359 -13.360 1.366 677 HD21 ASN 92 1HD2 ASN 92 -0.951 -13.825 3.162 678 HD22 ASN 92 2HD2 ASN 92 -0.297 -14.222 4.716 679 H LEU 93 H LEU 93 0.754 -9.024 1.606 680 HA LEU 93 HA LEU 93 1.020 -7.933 4.147 681 HB2 LEU 93 1HB LEU 93 -0.747 -7.311 1.793 682 HB3 LEU 93 2HB LEU 93 -0.833 -6.384 3.277 683 HG LEU 93 HG LEU 93 1.699 -6.738 1.652 684 HD11 LEU 93 1HD1 LEU 93 -0.565 -4.840 1.369 685 HD12 LEU 93 2HD1 LEU 93 1.074 -4.151 1.278 686 HD13 LEU 93 3HD1 LEU 93 0.592 -5.450 0.161 687 HD21 LEU 93 1HD2 LEU 93 2.765 -5.762 3.332 688 HD22 LEU 93 2HD2 LEU 93 1.641 -4.382 3.284 689 HD23 LEU 93 3HD2 LEU 93 1.265 -5.802 4.289 690 H GLY 94 H GLY 94 -0.937 -7.208 5.536 691 HA2 GLY 94 1HA GLY 94 -3.136 -9.109 5.568 692 HA3 GLY 94 2HA GLY 94 -2.021 -9.218 6.915 693 H ASP 95 H ASP 95 -4.860 -8.418 6.993 694 HA ASP 95 HA ASP 95 -5.080 -5.657 7.142 695 HB2 ASP 95 1HB ASP 95 -7.142 -6.755 7.033 696 HB3 ASP 95 2HB ASP 95 -6.642 -8.030 8.127 697 H GLY 96 H GLY 96 -3.787 -4.457 8.564 698 HA2 GLY 96 1HA GLY 96 -3.611 -3.695 10.821 699 HA3 GLY 96 2HA GLY 96 -3.702 -5.354 11.376 700 H ASP 97 H ASP 97 -1.823 -4.716 8.463 701 HA ASP 97 HA ASP 97 0.534 -5.449 9.945 702 HB2 ASP 97 1HB ASP 97 0.005 -5.066 6.961 703 HB3 ASP 97 2HB ASP 97 1.555 -5.557 7.614 704 H VAL 98 H VAL 98 2.085 -3.905 10.517 705 HA VAL 98 HA VAL 98 1.699 -1.209 9.472 706 HB VAL 98 HB VAL 98 2.949 -2.426 11.903 707 HG11 VAL 98 1HG1 VAL 98 3.548 0.379 10.901 708 HG12 VAL 98 2HG1 VAL 98 4.019 -0.297 12.479 709 HG13 VAL 98 3HG1 VAL 98 4.705 -0.971 10.981 710 HG21 VAL 98 1HG2 VAL 98 0.807 -1.779 12.425 711 HG22 VAL 98 2HG2 VAL 98 1.682 -0.277 12.807 712 HG23 VAL 98 3HG2 VAL 98 0.809 -0.430 11.263 713 H ILE 99 H ILE 99 2.953 -0.468 7.844 714 HA ILE 99 HA ILE 99 5.428 -1.945 7.318 715 HB ILE 99 HB ILE 99 3.851 -0.143 5.481 716 HG12 ILE 99 1HG1 ILE 99 3.903 -3.164 5.415 717 HG13 ILE 99 2HG1 ILE 99 2.675 -2.271 6.289 718 HG21 ILE 99 1HG2 ILE 99 5.318 -0.658 3.804 719 HG22 ILE 99 2HG2 ILE 99 6.425 -0.662 5.198 720 HG23 ILE 99 3HG2 ILE 99 5.808 -2.200 4.547 721 HD11 ILE 99 1HD1 ILE 99 2.864 -1.030 3.727 722 HD12 ILE 99 2HD1 ILE 99 2.857 -2.787 3.442 723 HD13 ILE 99 3HD1 ILE 99 1.530 -2.028 4.354 724 H LYS 100 H LYS 100 7.151 -1.023 8.305 725 HA LYS 100 HA LYS 100 7.164 1.890 8.530 726 HB2 LYS 100 1HB LYS 100 8.344 -0.362 10.078 727 HB3 LYS 100 2HB LYS 100 9.306 1.099 9.967 728 HG2 LYS 100 1HG LYS 100 7.788 2.370 11.178 729 HG3 LYS 100 2HG LYS 100 6.397 1.497 10.567 730 HD2 LYS 100 1HD LYS 100 6.339 0.434 12.577 731 HD3 LYS 100 2HD LYS 100 7.738 -0.469 12.029 732 HE2 LYS 100 1HE LYS 100 9.268 1.158 13.053 733 HE3 LYS 100 2HE LYS 100 7.939 2.227 13.451 734 HZ1 LYS 100 1HZ LYS 100 8.731 0.754 15.267 735 HZ2 LYS 100 2HZ LYS 100 7.123 0.682 14.990 736 HZ3 LYS 100 3HZ LYS 100 8.097 -0.519 14.466 737 H LEU 101 H LEU 101 7.966 2.859 6.733 738 HA LEU 101 HA LEU 101 10.478 1.745 5.696 739 HB2 LEU 101 1HB LEU 101 9.823 2.250 3.470 740 HB3 LEU 101 2HB LEU 101 8.591 1.243 4.204 741 HG LEU 101 HG LEU 101 8.136 4.178 4.342 742 HD11 LEU 101 1HD1 LEU 101 7.628 2.747 1.733 743 HD12 LEU 101 2HD1 LEU 101 7.512 4.486 2.097 744 HD13 LEU 101 3HD1 LEU 101 9.105 3.694 2.033 745 HD21 LEU 101 1HD2 LEU 101 6.094 3.486 4.853 746 HD22 LEU 101 2HD2 LEU 101 5.957 2.636 3.295 747 HD23 LEU 101 3HD2 LEU 101 6.646 1.800 4.707 748 H GLY 102 H GLY 102 11.831 3.439 4.556 749 HA2 GLY 102 1HA GLY 102 12.778 5.486 4.441 750 HA3 GLY 102 2HA GLY 102 11.295 6.196 5.049 751 H GLU 103 H GLU 103 11.674 7.371 6.873 752 HA GLU 103 HA GLU 103 13.716 6.344 8.672 753 HB2 GLU 103 1HB GLU 103 12.487 9.132 8.512 754 HB3 GLU 103 2HB GLU 103 13.786 8.655 9.587 755 HG2 GLU 103 1HG GLU 103 14.882 7.833 7.241 756 HG3 GLU 103 2HG GLU 103 13.844 9.099 6.615 757 H TYR 104 H TYR 104 10.649 8.287 8.980 758 HA TYR 104 HA TYR 104 9.852 6.436 11.118 759 HB2 TYR 104 1HB TYR 104 9.790 9.508 10.912 760 HB3 TYR 104 2HB TYR 104 8.907 8.640 12.152 761 HD1 TYR 104 HD1 TYR 104 10.137 7.399 13.933 762 HD2 TYR 104 HD2 TYR 104 12.172 9.842 11.070 763 HE1 TYR 104 HE1 TYR 104 12.203 7.427 15.415 764 HE2 TYR 104 HE2 TYR 104 14.231 9.862 12.562 765 HH TYR 104 HH TYR 104 14.300 9.361 15.542 766 H THR 105 H THR 105 8.961 5.939 8.586 767 HA THR 105 HA THR 105 6.265 7.132 8.576 768 HB THR 105 HB THR 105 8.191 6.315 6.361 769 HG1 THR 105 HG1 THR 105 7.976 8.536 7.347 770 HG21 THR 105 1HG2 THR 105 6.354 5.533 5.199 771 HG22 THR 105 2HG2 THR 105 5.208 6.238 6.366 772 HG23 THR 105 3HG2 THR 105 5.918 7.256 5.090 773 H SER 106 H SER 106 4.661 5.818 9.148 774 HA SER 106 HA SER 106 5.150 2.972 8.731 775 HB2 SER 106 1HB SER 106 3.480 4.252 10.939 776 HB3 SER 106 2HB SER 106 3.767 2.536 10.735 777 HG SER 106 HG SER 106 6.201 3.577 10.769 778 H ILE 107 H ILE 107 3.514 1.796 7.683 779 HA ILE 107 HA ILE 107 1.091 3.325 7.034 780 HB ILE 107 HB ILE 107 2.555 1.406 5.220 781 HG12 ILE 107 1HG1 ILE 107 2.480 4.438 5.144 782 HG13 ILE 107 2HG1 ILE 107 3.861 3.463 5.606 783 HG21 ILE 107 1HG2 ILE 107 0.858 3.005 3.715 784 HG22 ILE 107 2HG2 ILE 107 0.592 1.306 4.174 785 HG23 ILE 107 3HG2 ILE 107 -0.096 2.613 5.166 786 HD11 ILE 107 1HD1 ILE 107 2.597 3.793 2.883 787 HD12 ILE 107 2HD1 ILE 107 4.315 3.855 3.343 788 HD13 ILE 107 3HD1 ILE 107 3.473 2.289 3.256 789 H LEU 108 H LEU 108 -0.822 2.334 7.500 790 HA LEU 108 HA LEU 108 -0.604 -0.359 8.605 791 HB2 LEU 108 1HB LEU 108 -1.703 1.835 9.667 792 HB3 LEU 108 2HB LEU 108 -3.100 1.245 8.788 793 HG LEU 108 HG LEU 108 -1.576 -0.606 10.606 794 HD11 LEU 108 1HD1 LEU 108 -1.998 0.690 12.368 795 HD12 LEU 108 2HD1 LEU 108 -3.042 1.779 11.422 796 HD13 LEU 108 3HD1 LEU 108 -3.715 0.289 12.125 797 HD21 LEU 108 1HD2 LEU 108 -3.721 -1.735 10.796 798 HD22 LEU 108 2HD2 LEU 108 -4.496 -0.477 9.803 799 HD23 LEU 108 3HD2 LEU 108 -3.265 -1.544 9.086 800 H VAL 109 H VAL 109 -1.696 -2.121 7.755 801 HA VAL 109 HA VAL 109 -2.894 -1.627 5.128 802 HB VAL 109 HB VAL 109 -1.613 -4.044 6.404 803 HG11 VAL 109 1HG1 VAL 109 -3.677 -4.602 5.037 804 HG12 VAL 109 2HG1 VAL 109 -2.815 -3.948 3.624 805 HG13 VAL 109 3HG1 VAL 109 -2.159 -5.356 4.494 806 HG21 VAL 109 1HG2 VAL 109 -0.862 -2.143 4.187 807 HG22 VAL 109 2HG2 VAL 109 0.097 -2.681 5.587 808 HG23 VAL 109 3HG2 VAL 109 -0.204 -3.797 4.234 809 H ASN 110 H ASN 110 -5.074 -1.582 5.044 810 HA ASN 110 HA ASN 110 -6.455 -3.258 6.990 811 HB2 ASN 110 1HB ASN 110 -6.773 -0.386 6.306 812 HB3 ASN 110 2HB ASN 110 -8.287 -1.266 6.235 813 HD21 ASN 110 1HD2 ASN 110 -5.399 -1.681 8.270 814 HD22 ASN 110 2HD2 ASN 110 -6.180 -1.494 9.805 815 H PHE 111 H PHE 111 -8.100 -4.592 6.092 816 HA PHE 111 HA PHE 111 -8.318 -4.479 3.186 817 HB2 PHE 111 1HB PHE 111 -8.951 -6.509 5.402 818 HB3 PHE 111 2HB PHE 111 -9.444 -6.791 3.744 819 HD1 PHE 111 HD2 PHE 111 -7.012 -5.695 2.343 820 HD2 PHE 111 HD1 PHE 111 -7.393 -8.231 5.724 821 HE1 PHE 111 HE2 PHE 111 -4.765 -6.696 1.845 822 HE2 PHE 111 HE1 PHE 111 -5.145 -9.232 5.226 823 HZ PHE 111 HZ PHE 111 -3.858 -8.452 3.292 824 H VAL 112 H VAL 112 -9.964 -3.172 2.495 825 HA VAL 112 HA VAL 112 -12.361 -2.989 4.115 826 HB VAL 112 HB VAL 112 -11.804 -1.633 1.483 827 HG11 VAL 112 1HG1 VAL 112 -13.130 0.185 2.906 828 HG12 VAL 112 2HG1 VAL 112 -13.971 -1.101 2.009 829 HG13 VAL 112 3HG1 VAL 112 -13.708 -1.265 3.761 830 HG21 VAL 112 1HG2 VAL 112 -9.845 -1.277 2.929 831 HG22 VAL 112 2HG2 VAL 112 -10.778 0.223 2.710 832 HG23 VAL 112 3HG2 VAL 112 -10.910 -0.694 4.230 833 H SER 113 H SER 113 -13.765 -4.670 3.925 834 HA SER 113 HA SER 113 -14.043 -5.833 1.280 835 HB2 SER 113 1HB SER 113 -14.047 -6.888 3.972 836 HB3 SER 113 2HB SER 113 -15.600 -7.241 3.241 837 HG SER 113 HG SER 113 -13.354 -7.697 1.583 838 H GLY 114 H GLY 114 -16.044 -4.732 4.115 839 HA2 GLY 114 1HA GLY 114 -17.796 -3.135 2.715 840 HA3 GLY 114 2HA GLY 114 -18.487 -4.744 2.642 841 HA PRO 115 HA PRO 115 -19.691 -2.909 6.636 842 HB2 PRO 115 1HB PRO 115 -22.403 -3.014 6.315 843 HB3 PRO 115 2HB PRO 115 -21.452 -1.584 5.967 844 HG2 PRO 115 1HG PRO 115 -22.671 -3.504 4.079 845 HG3 PRO 115 2HG PRO 115 -22.097 -1.877 3.772 846 HD2 PRO 115 1HD PRO 115 -20.770 -4.324 3.080 847 HD3 PRO 115 2HD PRO 115 -20.145 -2.699 2.879 848 H SER 116 H SER 116 -20.579 -3.863 8.557 849 HA SER 116 HA SER 116 -20.727 -6.735 8.122 850 HB2 SER 116 1HB SER 116 -18.947 -5.747 9.667 851 HB3 SER 116 2HB SER 116 -20.240 -5.260 10.745 852 HG SER 116 HG SER 116 -19.175 -7.394 11.195 853 H SER 117 H SER 117 -22.679 -7.761 8.418 854 HA SER 117 HA SER 117 -24.561 -6.547 10.238 855 HB2 SER 117 1HB SER 117 -25.088 -5.619 7.971 856 HB3 SER 117 2HB SER 117 -25.285 -7.250 7.359 857 HG SER 117 HG SER 117 -27.040 -7.557 8.887 858 H GLY 118 H GLY 118 -24.563 -8.293 11.664 859 HA2 GLY 118 1HA GLY 118 -25.840 -10.717 10.777 860 HA3 GLY 118 2HA GLY 118 -24.145 -10.930 11.166 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -17.944 -16.831 -26.024 2 HA2 GLY 1 1HA GLY 1 -18.377 -18.516 -23.638 3 HA3 GLY 1 2HA GLY 1 -17.178 -17.248 -23.798 4 H SER 2 H SER 2 -18.938 -17.249 -21.615 5 HA SER 2 HA SER 2 -20.441 -14.849 -22.237 6 HB2 SER 2 1HB SER 2 -21.869 -17.066 -22.122 7 HB3 SER 2 2HB SER 2 -21.633 -16.934 -20.391 8 HG SER 2 HG SER 2 -22.663 -14.885 -20.397 9 H SER 3 H SER 3 -20.667 -13.394 -20.398 10 HA SER 3 HA SER 3 -18.488 -13.478 -18.683 11 HB2 SER 3 1HB SER 3 -20.439 -11.610 -19.442 12 HB3 SER 3 2HB SER 3 -20.733 -11.828 -17.728 13 HG SER 3 HG SER 3 -18.401 -11.424 -17.388 14 H GLY 4 H GLY 4 -18.268 -14.105 -16.499 15 HA2 GLY 4 1HA GLY 4 -20.208 -16.010 -15.543 16 HA3 GLY 4 2HA GLY 4 -18.682 -15.566 -14.805 17 H SER 5 H SER 5 -20.110 -15.673 -12.788 18 HA SER 5 HA SER 5 -21.958 -13.518 -12.512 19 HB2 SER 5 1HB SER 5 -21.921 -15.949 -11.406 20 HB3 SER 5 2HB SER 5 -20.957 -15.151 -10.180 21 HG SER 5 HG SER 5 -23.632 -15.133 -10.429 22 H SER 6 H SER 6 -21.670 -11.615 -11.257 23 HA SER 6 HA SER 6 -18.980 -10.795 -11.016 24 HB2 SER 6 1HB SER 6 -21.652 -9.589 -10.875 25 HB3 SER 6 2HB SER 6 -20.590 -8.927 -9.648 26 HG SER 6 HG SER 6 -19.397 -9.191 -12.184 27 H GLY 7 H GLY 7 -17.868 -10.146 -9.028 28 HA2 GLY 7 1HA GLY 7 -18.636 -10.135 -6.479 29 HA3 GLY 7 2HA GLY 7 -18.568 -11.860 -6.783 30 H MET 8 H MET 8 -16.845 -9.847 -5.148 31 HA MET 8 HA MET 8 -14.320 -10.816 -6.235 32 HB2 MET 8 1HB MET 8 -13.297 -8.633 -5.486 33 HB3 MET 8 2HB MET 8 -14.521 -8.390 -6.717 34 HG2 MET 8 1HG MET 8 -15.956 -8.327 -4.274 35 HG3 MET 8 2HG MET 8 -14.478 -7.447 -3.936 36 HE1 MET 8 1HE MET 8 -17.095 -5.772 -3.759 37 HE2 MET 8 2HE MET 8 -15.410 -5.226 -3.584 38 HE3 MET 8 3HE MET 8 -16.524 -4.345 -4.656 39 H VAL 9 H VAL 9 -13.070 -11.915 -4.764 40 HA VAL 9 HA VAL 9 -14.007 -11.863 -1.995 41 HB VAL 9 HB VAL 9 -12.908 -13.979 -1.766 42 HG11 VAL 9 1HG1 VAL 9 -15.018 -14.417 -2.584 43 HG12 VAL 9 2HG1 VAL 9 -14.714 -13.587 -4.129 44 HG13 VAL 9 3HG1 VAL 9 -14.018 -15.198 -3.832 45 HG21 VAL 9 1HG2 VAL 9 -11.081 -14.490 -2.936 46 HG22 VAL 9 2HG2 VAL 9 -12.071 -14.622 -4.409 47 HG23 VAL 9 3HG2 VAL 9 -11.324 -13.066 -3.976 48 H THR 10 H THR 10 -11.720 -10.404 -4.010 49 HA THR 10 HA THR 10 -9.610 -10.377 -2.001 50 HB THR 10 HB THR 10 -9.699 -8.956 -4.701 51 HG1 THR 10 HG1 THR 10 -8.781 -11.079 -5.403 52 HG21 THR 10 1HG2 THR 10 -7.414 -10.349 -3.218 53 HG22 THR 10 2HG2 THR 10 -7.289 -9.312 -4.659 54 HG23 THR 10 3HG2 THR 10 -7.728 -8.601 -3.087 55 HA PRO 11 HA PRO 11 -11.258 -6.715 -0.352 56 HB2 PRO 11 1HB PRO 11 -9.539 -6.501 1.761 57 HB3 PRO 11 2HB PRO 11 -11.001 -7.465 1.810 58 HG2 PRO 11 1HG PRO 11 -8.195 -8.364 1.566 59 HG3 PRO 11 2HG PRO 11 -9.607 -9.289 2.037 60 HD2 PRO 11 1HD PRO 11 -8.286 -9.352 -0.508 61 HD3 PRO 11 2HD PRO 11 -9.764 -10.187 -0.073 62 H SER 12 H SER 12 -10.911 -4.498 -0.400 63 HA SER 12 HA SER 12 -8.905 -3.792 -2.200 64 HB2 SER 12 1HB SER 12 -10.766 -2.364 -2.210 65 HB3 SER 12 2HB SER 12 -10.868 -2.302 -0.462 66 HG SER 12 HG SER 12 -8.570 -1.202 -1.788 67 H LEU 13 H LEU 13 -7.003 -2.407 -1.836 68 HA LEU 13 HA LEU 13 -5.789 -2.987 0.741 69 HB2 LEU 13 1HB LEU 13 -4.666 -3.529 -1.418 70 HB3 LEU 13 2HB LEU 13 -4.574 -1.813 -1.762 71 HG LEU 13 HG LEU 13 -3.138 -1.457 0.180 72 HD11 LEU 13 1HD1 LEU 13 -2.314 -4.000 0.976 73 HD12 LEU 13 2HD1 LEU 13 -3.293 -2.844 1.910 74 HD13 LEU 13 3HD1 LEU 13 -4.090 -4.095 0.926 75 HD21 LEU 13 1HD2 LEU 13 -1.364 -3.389 -0.683 76 HD22 LEU 13 2HD2 LEU 13 -2.448 -3.178 -2.079 77 HD23 LEU 13 3HD2 LEU 13 -1.593 -1.774 -1.396 78 H ARG 14 H ARG 14 -6.078 -1.556 2.358 79 HA ARG 14 HA ARG 14 -6.324 1.229 1.554 80 HB2 ARG 14 1HB ARG 14 -8.319 0.342 2.731 81 HB3 ARG 14 2HB ARG 14 -7.325 -0.205 4.066 82 HG2 ARG 14 1HG ARG 14 -6.566 2.374 4.112 83 HG3 ARG 14 2HG ARG 14 -8.106 2.610 3.308 84 HD2 ARG 14 1HD ARG 14 -8.674 0.819 5.436 85 HD3 ARG 14 2HD ARG 14 -7.568 1.991 6.125 86 HE ARG 14 HE ARG 14 -9.605 3.317 4.549 87 HH11 ARG 14 1HH1 ARG 14 -9.057 1.758 7.655 88 HH12 ARG 14 2HH1 ARG 14 -10.307 2.643 8.464 89 HH21 ARG 14 1HH2 ARG 14 -11.254 4.485 5.615 90 HH22 ARG 14 2HH2 ARG 14 -11.565 4.205 7.296 91 H LEU 15 H LEU 15 -4.268 2.125 1.728 92 HA LEU 15 HA LEU 15 -2.560 1.259 3.905 93 HB2 LEU 15 1HB LEU 15 -2.120 3.051 1.516 94 HB3 LEU 15 2HB LEU 15 -0.910 2.761 2.750 95 HG LEU 15 HG LEU 15 -2.169 0.543 1.120 96 HD11 LEU 15 1HD1 LEU 15 -0.953 1.109 -0.643 97 HD12 LEU 15 2HD1 LEU 15 -0.366 2.553 0.216 98 HD13 LEU 15 3HD1 LEU 15 0.531 1.021 0.337 99 HD21 LEU 15 1HD2 LEU 15 -0.864 0.280 3.439 100 HD22 LEU 15 2HD2 LEU 15 -0.734 -0.904 2.117 101 HD23 LEU 15 3HD2 LEU 15 0.536 0.323 2.340 102 H VAL 16 H VAL 16 -2.804 2.183 5.863 103 HA VAL 16 HA VAL 16 -3.713 4.971 5.909 104 HB VAL 16 HB VAL 16 -3.762 2.875 8.088 105 HG11 VAL 16 1HG1 VAL 16 -3.693 5.336 8.747 106 HG12 VAL 16 2HG1 VAL 16 -5.290 5.487 7.977 107 HG13 VAL 16 3HG1 VAL 16 -5.070 4.391 9.362 108 HG21 VAL 16 1HG2 VAL 16 -5.715 2.097 7.320 109 HG22 VAL 16 2HG2 VAL 16 -6.349 3.737 7.047 110 HG23 VAL 16 3HG2 VAL 16 -5.350 2.951 5.801 111 H PHE 17 H PHE 17 -2.293 6.536 6.490 112 HA PHE 17 HA PHE 17 0.351 5.701 7.273 113 HB2 PHE 17 1HB PHE 17 -1.120 8.288 6.558 114 HB3 PHE 17 2HB PHE 17 0.503 8.369 7.213 115 HD1 PHE 17 HD2 PHE 17 2.411 7.583 5.915 116 HD2 PHE 17 HD1 PHE 17 -1.519 7.429 4.322 117 HE1 PHE 17 HE2 PHE 17 3.356 7.230 3.617 118 HE2 PHE 17 HE1 PHE 17 -0.574 7.075 2.024 119 HZ PHE 17 HZ PHE 17 1.853 6.980 1.699 120 H VAL 18 H VAL 18 0.176 4.916 9.420 121 HA VAL 18 HA VAL 18 -1.161 6.477 11.404 122 HB VAL 18 HB VAL 18 -0.097 4.773 12.928 123 HG11 VAL 18 1HG1 VAL 18 -2.346 4.419 12.216 124 HG12 VAL 18 2HG1 VAL 18 -1.825 3.902 10.595 125 HG13 VAL 18 3HG1 VAL 18 -1.493 2.870 12.006 126 HG21 VAL 18 1HG2 VAL 18 1.537 4.310 10.663 127 HG22 VAL 18 2HG2 VAL 18 1.545 3.442 12.217 128 HG23 VAL 18 3HG2 VAL 18 0.537 2.853 10.874 129 H LYS 19 H LYS 19 2.088 6.246 10.028 130 HA LYS 19 HA LYS 19 2.891 8.381 11.860 131 HB2 LYS 19 1HB LYS 19 4.501 5.894 11.219 132 HB3 LYS 19 2HB LYS 19 5.165 7.327 11.978 133 HG2 LYS 19 1HG LYS 19 2.820 6.763 13.462 134 HG3 LYS 19 2HG LYS 19 3.534 5.192 13.158 135 HD2 LYS 19 1HD LYS 19 5.695 5.944 14.092 136 HD3 LYS 19 2HD LYS 19 5.077 7.572 14.292 137 HE2 LYS 19 1HE LYS 19 3.215 6.479 15.773 138 HE3 LYS 19 2HE LYS 19 4.241 5.058 15.790 139 HZ1 LYS 19 1HZ LYS 19 5.427 7.632 16.433 140 HZ2 LYS 19 2HZ LYS 19 4.513 6.889 17.563 141 HZ3 LYS 19 3HZ LYS 19 5.836 6.143 16.965 142 H GLY 20 H GLY 20 5.337 9.032 10.861 143 HA2 GLY 20 1HA GLY 20 6.503 9.666 8.979 144 HA3 GLY 20 2HA GLY 20 5.193 9.112 7.954 145 HA PRO 21 HA PRO 21 4.921 13.667 8.334 146 HB2 PRO 21 1HB PRO 21 5.432 14.344 5.735 147 HB3 PRO 21 2HB PRO 21 6.659 14.348 6.986 148 HG2 PRO 21 1HG PRO 21 6.237 12.392 4.810 149 HG3 PRO 21 2HG PRO 21 7.668 12.656 5.787 150 HD2 PRO 21 1HD PRO 21 5.773 10.519 6.059 151 HD3 PRO 21 2HD PRO 21 7.139 10.849 7.107 152 H ARG 22 H ARG 22 3.521 11.216 6.478 153 HA ARG 22 HA ARG 22 1.366 13.003 5.745 154 HB2 ARG 22 1HB ARG 22 1.611 10.057 4.995 155 HB3 ARG 22 2HB ARG 22 0.665 11.291 4.185 156 HG2 ARG 22 1HG ARG 22 3.291 12.319 4.142 157 HG3 ARG 22 2HG ARG 22 3.508 10.604 3.852 158 HD2 ARG 22 1HD ARG 22 1.622 12.436 2.290 159 HD3 ARG 22 2HD ARG 22 3.173 11.853 1.720 160 HE ARG 22 HE ARG 22 1.694 9.560 2.459 161 HH11 ARG 22 1HH1 ARG 22 1.439 12.171 0.114 162 HH12 ARG 22 2HH1 ARG 22 0.569 11.218 -1.043 163 HH21 ARG 22 1HH2 ARG 22 0.547 8.303 0.934 164 HH22 ARG 22 2HH2 ARG 22 0.059 9.004 -0.573 165 H GLU 23 H GLU 23 2.236 11.328 8.419 166 HA GLU 23 HA GLU 23 0.445 9.506 9.094 167 HB2 GLU 23 1HB GLU 23 2.132 10.168 10.668 168 HB3 GLU 23 2HB GLU 23 1.541 11.816 10.736 169 HG2 GLU 23 1HG GLU 23 -0.539 9.841 11.450 170 HG3 GLU 23 2HG GLU 23 0.859 9.749 12.502 171 H GLY 24 H GLY 24 -1.753 9.320 9.142 172 HA2 GLY 24 1HA GLY 24 -3.838 10.134 9.962 173 HA3 GLY 24 2HA GLY 24 -3.328 11.773 9.606 174 H ASP 25 H ASP 25 -2.183 9.786 7.107 175 HA ASP 25 HA ASP 25 -4.437 10.606 5.477 176 HB2 ASP 25 1HB ASP 25 -1.520 10.246 5.066 177 HB3 ASP 25 2HB ASP 25 -2.484 9.580 3.763 178 H ALA 26 H ALA 26 -5.273 9.001 3.847 179 HA ALA 26 HA ALA 26 -4.462 6.250 4.205 180 HB1 ALA 26 1HB ALA 26 -6.502 5.436 5.040 181 HB2 ALA 26 2HB ALA 26 -6.246 6.920 5.989 182 HB3 ALA 26 3HB ALA 26 -7.381 6.925 4.618 183 H LEU 27 H LEU 27 -5.033 4.951 2.400 184 HA LEU 27 HA LEU 27 -6.464 6.374 0.275 185 HB2 LEU 27 1HB LEU 27 -3.952 4.759 -0.158 186 HB3 LEU 27 2HB LEU 27 -4.863 5.655 -1.357 187 HG LEU 27 HG LEU 27 -3.915 7.297 0.901 188 HD11 LEU 27 1HD1 LEU 27 -1.946 6.090 0.959 189 HD12 LEU 27 2HD1 LEU 27 -1.993 5.717 -0.781 190 HD13 LEU 27 3HD1 LEU 27 -1.570 7.357 -0.233 191 HD21 LEU 27 1HD2 LEU 27 -3.029 8.148 -1.694 192 HD22 LEU 27 2HD2 LEU 27 -4.732 7.637 -1.784 193 HD23 LEU 27 3HD2 LEU 27 -4.237 8.884 -0.613 194 H ASP 28 H ASP 28 -6.925 4.643 -1.590 195 HA ASP 28 HA ASP 28 -7.414 2.057 -0.420 196 HB2 ASP 28 1HB ASP 28 -9.760 2.054 -0.757 197 HB3 ASP 28 2HB ASP 28 -9.446 3.624 -0.044 198 H TYR 29 H TYR 29 -7.517 0.412 -2.084 199 HA TYR 29 HA TYR 29 -7.604 1.310 -4.851 200 HB2 TYR 29 1HB TYR 29 -5.388 -0.367 -3.514 201 HB3 TYR 29 2HB TYR 29 -5.470 -0.035 -5.232 202 HD1 TYR 29 HD1 TYR 29 -5.125 2.316 -6.064 203 HD2 TYR 29 HD2 TYR 29 -4.463 1.223 -1.981 204 HE1 TYR 29 HE1 TYR 29 -3.754 4.428 -5.713 205 HE2 TYR 29 HE2 TYR 29 -3.095 3.339 -1.644 206 HH TYR 29 HH TYR 29 -1.908 5.136 -4.158 207 H LYS 30 H LYS 30 -8.089 -0.413 -6.358 208 HA LYS 30 HA LYS 30 -9.676 -2.455 -5.139 209 HB2 LYS 30 1HB LYS 30 -9.216 -1.377 -7.870 210 HB3 LYS 30 2HB LYS 30 -9.702 -3.057 -7.778 211 HG2 LYS 30 1HG LYS 30 -11.606 -2.329 -6.227 212 HG3 LYS 30 2HG LYS 30 -11.171 -0.667 -6.576 213 HD2 LYS 30 1HD LYS 30 -11.449 -1.220 -9.066 214 HD3 LYS 30 2HD LYS 30 -12.106 -2.770 -8.580 215 HE2 LYS 30 1HE LYS 30 -13.299 -0.341 -7.273 216 HE3 LYS 30 2HE LYS 30 -13.655 -0.568 -8.974 217 HZ1 LYS 30 1HZ LYS 30 -13.974 -2.754 -7.055 218 HZ2 LYS 30 2HZ LYS 30 -15.166 -1.670 -7.319 219 HZ3 LYS 30 3HZ LYS 30 -14.632 -2.610 -8.543 220 HA PRO 31 HA PRO 31 -6.845 -5.708 -5.296 221 HB2 PRO 31 1HB PRO 31 -8.353 -7.876 -6.000 222 HB3 PRO 31 2HB PRO 31 -8.337 -7.204 -4.381 223 HG2 PRO 31 1HG PRO 31 -10.424 -6.976 -6.462 224 HG3 PRO 31 2HG PRO 31 -10.557 -6.691 -4.738 225 HD2 PRO 31 1HD PRO 31 -10.387 -4.702 -6.798 226 HD3 PRO 31 2HD PRO 31 -10.403 -4.421 -5.068 227 H GLY 32 H GLY 32 -5.143 -6.242 -6.516 228 HA2 GLY 32 1HA GLY 32 -4.252 -7.254 -8.424 229 HA3 GLY 32 2HA GLY 32 -5.732 -6.933 -9.306 230 H SER 33 H SER 33 -4.642 -4.288 -7.311 231 HA SER 33 HA SER 33 -3.590 -3.023 -9.720 232 HB2 SER 33 1HB SER 33 -5.454 -2.098 -7.589 233 HB3 SER 33 2HB SER 33 -4.237 -0.925 -8.054 234 HG SER 33 HG SER 33 -6.216 -0.794 -9.340 235 H THR 34 H THR 34 -1.387 -2.794 -9.632 236 HA THR 34 HA THR 34 0.039 -3.099 -7.200 237 HB THR 34 HB THR 34 0.829 -2.158 -10.007 238 HG1 THR 34 HG1 THR 34 -0.036 -4.356 -9.753 239 HG21 THR 34 1HG2 THR 34 3.097 -2.510 -9.415 240 HG22 THR 34 2HG2 THR 34 2.465 -1.696 -7.963 241 HG23 THR 34 3HG2 THR 34 2.669 -3.465 -7.976 242 H ILE 35 H ILE 35 0.469 -1.690 -5.630 243 HA ILE 35 HA ILE 35 0.091 1.144 -6.291 244 HB ILE 35 HB ILE 35 -0.209 -0.349 -3.685 245 HG12 ILE 35 1HG1 ILE 35 -2.510 1.161 -4.448 246 HG13 ILE 35 2HG1 ILE 35 -2.020 0.204 -5.831 247 HG21 ILE 35 1HG2 ILE 35 0.271 2.489 -4.228 248 HG22 ILE 35 2HG2 ILE 35 -1.203 2.185 -3.277 249 HG23 ILE 35 3HG2 ILE 35 0.368 1.573 -2.706 250 HD11 ILE 35 1HD1 ILE 35 -1.868 -1.816 -4.274 251 HD12 ILE 35 2HD1 ILE 35 -2.618 -0.803 -3.017 252 HD13 ILE 35 3HD1 ILE 35 -3.509 -1.169 -4.514 253 H ARG 36 H ARG 36 2.135 1.713 -7.033 254 HA ARG 36 HA ARG 36 4.428 0.784 -5.679 255 HB2 ARG 36 1HB ARG 36 3.948 2.883 -7.839 256 HB3 ARG 36 2HB ARG 36 5.549 2.604 -7.184 257 HG2 ARG 36 1HG ARG 36 5.741 0.495 -8.151 258 HG3 ARG 36 2HG ARG 36 4.022 0.170 -8.055 259 HD2 ARG 36 1HD ARG 36 3.957 0.645 -10.286 260 HD3 ARG 36 2HD ARG 36 4.103 2.328 -9.819 261 HE ARG 36 HE ARG 36 6.731 1.462 -9.834 262 HH11 ARG 36 1HH1 ARG 36 4.119 1.341 -12.189 263 HH12 ARG 36 2HH1 ARG 36 5.179 1.397 -13.558 264 HH21 ARG 36 1HH2 ARG 36 8.130 1.536 -11.639 265 HH22 ARG 36 2HH2 ARG 36 7.476 1.509 -13.243 266 H VAL 37 H VAL 37 5.242 1.617 -3.781 267 HA VAL 37 HA VAL 37 4.425 4.347 -3.078 268 HB VAL 37 HB VAL 37 5.303 2.018 -1.359 269 HG11 VAL 37 1HG1 VAL 37 5.276 3.351 0.493 270 HG12 VAL 37 2HG1 VAL 37 5.752 4.580 -0.704 271 HG13 VAL 37 3HG1 VAL 37 4.055 4.457 -0.181 272 HG21 VAL 37 1HG2 VAL 37 2.825 2.525 -0.509 273 HG22 VAL 37 2HG2 VAL 37 2.642 3.101 -2.183 274 HG23 VAL 37 3HG2 VAL 37 3.152 1.425 -1.869 275 H GLY 38 H GLY 38 5.949 5.888 -3.331 276 HA2 GLY 38 1HA GLY 38 8.751 5.148 -2.806 277 HA3 GLY 38 2HA GLY 38 8.321 5.925 -4.317 278 H ARG 39 H ARG 39 9.661 7.773 -3.763 279 HA ARG 39 HA ARG 39 8.609 9.319 -1.544 280 HB2 ARG 39 1HB ARG 39 11.005 8.995 -1.371 281 HB3 ARG 39 2HB ARG 39 11.257 9.399 -3.058 282 HG2 ARG 39 1HG ARG 39 10.689 11.734 -2.674 283 HG3 ARG 39 2HG ARG 39 10.107 11.392 -1.056 284 HD2 ARG 39 1HD ARG 39 12.193 11.705 -0.218 285 HD3 ARG 39 2HD ARG 39 12.809 10.404 -1.217 286 HE ARG 39 HE ARG 39 12.513 12.662 -2.908 287 HH11 ARG 39 1HH1 ARG 39 14.420 11.714 -0.107 288 HH12 ARG 39 2HH1 ARG 39 15.761 12.732 -0.515 289 HH21 ARG 39 1HH2 ARG 39 14.281 14.005 -3.447 290 HH22 ARG 39 2HH2 ARG 39 15.681 14.044 -2.428 291 H ILE 40 H ILE 40 9.065 9.193 -5.056 292 HA ILE 40 HA ILE 40 8.027 11.927 -5.275 293 HB ILE 40 HB ILE 40 8.833 11.714 -7.652 294 HG12 ILE 40 1HG1 ILE 40 10.621 9.491 -6.729 295 HG13 ILE 40 2HG1 ILE 40 9.013 9.100 -7.304 296 HG21 ILE 40 1HG2 ILE 40 10.159 13.112 -6.420 297 HG22 ILE 40 2HG2 ILE 40 10.565 11.862 -5.220 298 HG23 ILE 40 3HG2 ILE 40 11.338 11.841 -6.824 299 HD11 ILE 40 1HD1 ILE 40 10.168 9.039 -9.318 300 HD12 ILE 40 2HD1 ILE 40 9.697 10.755 -9.306 301 HD13 ILE 40 3HD1 ILE 40 11.338 10.279 -8.805 302 H VAL 41 H VAL 41 6.070 12.322 -6.275 303 HA VAL 41 HA VAL 41 4.256 10.178 -6.394 304 HB VAL 41 HB VAL 41 2.809 11.967 -7.494 305 HG11 VAL 41 1HG1 VAL 41 4.071 12.281 -4.764 306 HG12 VAL 41 2HG1 VAL 41 2.743 13.327 -5.320 307 HG13 VAL 41 3HG1 VAL 41 2.496 11.569 -5.190 308 HG21 VAL 41 1HG2 VAL 41 3.697 13.894 -8.181 309 HG22 VAL 41 2HG2 VAL 41 4.439 14.174 -6.588 310 HG23 VAL 41 3HG2 VAL 41 5.310 13.232 -7.822 311 H ARG 42 H ARG 42 6.291 11.861 -8.807 312 HA ARG 42 HA ARG 42 4.988 10.720 -11.006 313 HB2 ARG 42 1HB ARG 42 7.451 12.324 -10.495 314 HB3 ARG 42 2HB ARG 42 7.547 11.299 -11.913 315 HG2 ARG 42 1HG ARG 42 5.203 12.271 -12.544 316 HG3 ARG 42 2HG ARG 42 5.520 13.491 -11.326 317 HD2 ARG 42 1HD ARG 42 7.858 13.716 -12.626 318 HD3 ARG 42 2HD ARG 42 6.949 13.010 -13.947 319 HE ARG 42 HE ARG 42 6.648 15.703 -12.886 320 HH11 ARG 42 1HH1 ARG 42 4.925 13.090 -14.492 321 HH12 ARG 42 2HH1 ARG 42 3.747 14.137 -15.211 322 HH21 ARG 42 1HH2 ARG 42 5.095 17.085 -13.834 323 HH22 ARG 42 2HH2 ARG 42 3.845 16.425 -14.834 324 H GLY 43 H GLY 43 4.968 8.525 -11.403 325 HA2 GLY 43 1HA GLY 43 6.328 6.716 -12.252 326 HA3 GLY 43 2HA GLY 43 7.503 7.056 -10.997 327 H ASN 44 H ASN 44 6.053 7.341 -8.675 328 HA ASN 44 HA ASN 44 4.913 4.683 -8.450 329 HB2 ASN 44 1HB ASN 44 5.689 6.564 -6.169 330 HB3 ASN 44 2HB ASN 44 5.435 4.832 -6.073 331 HD21 ASN 44 1HD2 ASN 44 7.660 7.303 -6.443 332 HD22 ASN 44 2HD2 ASN 44 9.050 6.399 -6.945 333 H GLU 45 H GLU 45 2.878 4.440 -7.167 334 HA GLU 45 HA GLU 45 1.027 6.436 -7.781 335 HB2 GLU 45 1HB GLU 45 0.877 3.982 -5.984 336 HB3 GLU 45 2HB GLU 45 -0.509 5.005 -6.306 337 HG2 GLU 45 1HG GLU 45 1.101 3.377 -8.316 338 HG3 GLU 45 2HG GLU 45 -0.589 3.182 -7.895 339 H ILE 46 H ILE 46 2.134 5.200 -4.535 340 HA ILE 46 HA ILE 46 1.230 7.714 -3.376 341 HB ILE 46 HB ILE 46 2.164 5.139 -2.103 342 HG12 ILE 46 1HG1 ILE 46 -0.659 6.206 -2.178 343 HG13 ILE 46 2HG1 ILE 46 -0.035 5.173 -3.448 344 HG21 ILE 46 1HG2 ILE 46 2.021 7.725 -0.996 345 HG22 ILE 46 2HG2 ILE 46 0.597 6.845 -0.392 346 HG23 ILE 46 3HG2 ILE 46 2.227 6.176 -0.144 347 HD11 ILE 46 1HD1 ILE 46 -1.139 3.768 -1.793 348 HD12 ILE 46 2HD1 ILE 46 0.613 3.475 -1.683 349 HD13 ILE 46 3HD1 ILE 46 -0.195 4.503 -0.476 350 H ALA 47 H ALA 47 2.599 9.231 -2.458 351 HA ALA 47 HA ALA 47 5.453 8.580 -2.474 352 HB1 ALA 47 1HB ALA 47 5.804 9.935 -4.230 353 HB2 ALA 47 2HB ALA 47 4.074 10.345 -4.301 354 HB3 ALA 47 3HB ALA 47 5.172 11.294 -3.270 355 H ILE 48 H ILE 48 6.610 9.509 -0.769 356 HA ILE 48 HA ILE 48 5.051 11.271 0.984 357 HB ILE 48 HB ILE 48 6.690 8.861 1.768 358 HG12 ILE 48 1HG1 ILE 48 4.075 8.956 2.925 359 HG13 ILE 48 2HG1 ILE 48 3.913 9.226 1.201 360 HG21 ILE 48 1HG2 ILE 48 7.231 10.565 3.343 361 HG22 ILE 48 2HG2 ILE 48 5.531 11.076 3.473 362 HG23 ILE 48 3HG2 ILE 48 6.036 9.492 4.109 363 HD11 ILE 48 1HD1 ILE 48 5.448 6.921 2.490 364 HD12 ILE 48 2HD1 ILE 48 3.846 6.807 1.723 365 HD13 ILE 48 3HD1 ILE 48 5.278 7.195 0.739 366 H LYS 49 H LYS 49 6.069 13.160 1.399 367 HA LYS 49 HA LYS 49 8.698 13.542 0.357 368 HB2 LYS 49 1HB LYS 49 6.630 15.273 1.686 369 HB3 LYS 49 2HB LYS 49 8.272 15.858 1.508 370 HG2 LYS 49 1HG LYS 49 6.704 14.704 -0.837 371 HG3 LYS 49 2HG LYS 49 6.623 16.401 -0.411 372 HD2 LYS 49 1HD LYS 49 8.562 16.791 -1.512 373 HD3 LYS 49 2HD LYS 49 9.405 15.679 -0.452 374 HE2 LYS 49 1HE LYS 49 9.599 15.034 -2.870 375 HE3 LYS 49 2HE LYS 49 8.862 13.776 -1.898 376 HZ1 LYS 49 1HZ LYS 49 7.132 13.891 -3.228 377 HZ2 LYS 49 2HZ LYS 49 6.833 15.429 -2.766 378 HZ3 LYS 49 3HZ LYS 49 7.774 15.135 -4.069 379 H ASP 50 H ASP 50 9.497 11.647 1.792 380 HA ASP 50 HA ASP 50 10.441 12.872 4.258 381 HB2 ASP 50 1HB ASP 50 8.968 11.289 5.156 382 HB3 ASP 50 2HB ASP 50 9.149 10.194 3.800 383 H ALA 51 H ALA 51 12.653 13.135 3.890 384 HA ALA 51 HA ALA 51 14.162 12.100 1.935 385 HB1 ALA 51 1HB ALA 51 14.565 13.409 4.465 386 HB2 ALA 51 2HB ALA 51 15.804 12.146 4.272 387 HB3 ALA 51 3HB ALA 51 15.619 13.409 3.031 388 H GLY 52 H GLY 52 13.001 10.430 4.843 389 HA2 GLY 52 1HA GLY 52 14.760 8.288 4.959 390 HA3 GLY 52 2HA GLY 52 13.079 8.269 5.453 391 H ILE 53 H ILE 53 11.725 8.716 3.012 392 HA ILE 53 HA ILE 53 12.077 6.128 1.813 393 HB ILE 53 HB ILE 53 10.107 8.356 1.288 394 HG12 ILE 53 1HG1 ILE 53 9.252 5.829 2.571 395 HG13 ILE 53 2HG1 ILE 53 10.300 6.840 3.546 396 HG21 ILE 53 1HG2 ILE 53 10.271 5.534 0.215 397 HG22 ILE 53 2HG2 ILE 53 8.784 6.511 0.188 398 HG23 ILE 53 3HG2 ILE 53 10.227 7.062 -0.697 399 HD11 ILE 53 1HD1 ILE 53 8.556 8.715 2.475 400 HD12 ILE 53 2HD1 ILE 53 7.503 7.297 2.695 401 HD13 ILE 53 3HD1 ILE 53 8.393 7.969 4.083 402 H SER 54 H SER 54 11.966 6.001 -0.692 403 HA SER 54 HA SER 54 13.544 8.157 -1.831 404 HB2 SER 54 1HB SER 54 14.678 5.726 -1.121 405 HB3 SER 54 2HB SER 54 14.270 5.449 -2.802 406 HG SER 54 HG SER 54 15.335 7.798 -2.957 407 H THR 55 H THR 55 13.693 7.711 -4.392 408 HA THR 55 HA THR 55 10.981 7.525 -5.276 409 HB THR 55 HB THR 55 11.975 8.194 -7.418 410 HG1 THR 55 HG1 THR 55 14.537 7.753 -6.090 411 HG21 THR 55 1HG2 THR 55 12.109 9.896 -5.450 412 HG22 THR 55 2HG2 THR 55 13.817 9.412 -5.311 413 HG23 THR 55 3HG2 THR 55 13.224 10.163 -6.812 414 H LYS 56 H LYS 56 9.925 5.644 -5.406 415 HA LYS 56 HA LYS 56 9.422 3.640 -6.232 416 HB2 LYS 56 1HB LYS 56 12.186 3.410 -7.441 417 HB3 LYS 56 2HB LYS 56 10.735 2.538 -7.894 418 HG2 LYS 56 1HG LYS 56 9.724 4.470 -8.868 419 HG3 LYS 56 2HG LYS 56 10.795 5.571 -8.026 420 HD2 LYS 56 1HD LYS 56 12.711 4.833 -9.386 421 HD3 LYS 56 2HD LYS 56 11.743 3.585 -10.144 422 HE2 LYS 56 1HE LYS 56 10.176 5.727 -10.733 423 HE3 LYS 56 2HE LYS 56 11.713 6.557 -10.602 424 HZ1 LYS 56 1HZ LYS 56 12.138 4.245 -12.053 425 HZ2 LYS 56 2HZ LYS 56 10.804 4.952 -12.678 426 HZ3 LYS 56 3HZ LYS 56 12.204 5.787 -12.586 427 H HIS 57 H HIS 57 10.677 4.315 -3.619 428 HA HIS 57 HA HIS 57 12.568 2.690 -2.695 429 HB2 HIS 57 1HB HIS 57 11.317 4.324 -1.356 430 HB3 HIS 57 2HB HIS 57 9.913 3.274 -1.353 431 HD2 HIS 57 HD2 HIS 57 11.009 0.475 -0.310 432 HE1 HIS 57 HE1 HIS 57 13.024 2.631 2.756 433 HE2 HIS 57 HE2 HIS 57 12.112 0.337 1.983 434 H LEU 58 H LEU 58 9.066 1.726 -2.926 435 HA LEU 58 HA LEU 58 9.904 -0.943 -3.628 436 HB2 LEU 58 1HB LEU 58 8.462 -1.926 -1.808 437 HB3 LEU 58 2HB LEU 58 10.030 -1.300 -1.338 438 HG LEU 58 HG LEU 58 9.028 0.687 -0.385 439 HD11 LEU 58 1HD1 LEU 58 6.432 -0.393 -1.501 440 HD12 LEU 58 2HD1 LEU 58 6.519 0.878 -0.258 441 HD13 LEU 58 3HD1 LEU 58 7.229 1.156 -1.866 442 HD21 LEU 58 1HD2 LEU 58 9.072 -0.764 1.344 443 HD22 LEU 58 2HD2 LEU 58 7.302 -0.644 1.201 444 HD23 LEU 58 3HD2 LEU 58 8.164 -2.018 0.466 445 H ARG 59 H ARG 59 7.776 -2.331 -3.953 446 HA ARG 59 HA ARG 59 5.690 -0.538 -4.876 447 HB2 ARG 59 1HB ARG 59 5.533 -1.626 -7.014 448 HB3 ARG 59 2HB ARG 59 7.244 -1.333 -6.774 449 HG2 ARG 59 1HG ARG 59 7.313 -3.736 -5.737 450 HG3 ARG 59 2HG ARG 59 5.735 -3.956 -6.466 451 HD2 ARG 59 1HD ARG 59 6.576 -3.766 -8.676 452 HD3 ARG 59 2HD ARG 59 8.009 -2.895 -8.167 453 HE ARG 59 HE ARG 59 7.861 -5.604 -7.061 454 HH11 ARG 59 1HH1 ARG 59 8.886 -3.672 -9.817 455 HH12 ARG 59 2HH1 ARG 59 10.061 -4.827 -10.352 456 HH21 ARG 59 1HH2 ARG 59 9.410 -7.128 -7.766 457 HH22 ARG 59 2HH2 ARG 59 10.361 -6.806 -9.177 458 H ILE 60 H ILE 60 3.599 -1.287 -4.417 459 HA ILE 60 HA ILE 60 3.484 -3.896 -3.096 460 HB ILE 60 HB ILE 60 1.825 -1.395 -2.902 461 HG12 ILE 60 1HG1 ILE 60 3.331 -3.017 -0.829 462 HG13 ILE 60 2HG1 ILE 60 3.904 -1.536 -1.570 463 HG21 ILE 60 1HG2 ILE 60 0.850 -3.322 -1.074 464 HG22 ILE 60 2HG2 ILE 60 -0.002 -2.561 -2.440 465 HG23 ILE 60 3HG2 ILE 60 0.875 -4.092 -2.679 466 HD11 ILE 60 1HD1 ILE 60 2.410 -0.196 -0.405 467 HD12 ILE 60 2HD1 ILE 60 1.166 -1.468 -0.330 468 HD13 ILE 60 3HD1 ILE 60 2.568 -1.529 0.765 469 H GLU 61 H GLU 61 2.170 -5.540 -3.844 470 HA GLU 61 HA GLU 61 0.368 -4.902 -6.001 471 HB2 GLU 61 1HB GLU 61 1.279 -6.741 -7.432 472 HB3 GLU 61 2HB GLU 61 2.413 -5.423 -7.219 473 HG2 GLU 61 1HG GLU 61 3.904 -7.037 -6.607 474 HG3 GLU 61 2HG GLU 61 3.066 -7.039 -5.068 475 H SER 62 H SER 62 -0.798 -7.137 -6.677 476 HA SER 62 HA SER 62 -1.224 -8.582 -4.179 477 HB2 SER 62 1HB SER 62 -3.234 -7.414 -4.380 478 HB3 SER 62 2HB SER 62 -3.176 -7.390 -6.131 479 HG SER 62 HG SER 62 -4.140 -9.332 -6.246 480 H ASP 63 H ASP 63 -1.292 -10.851 -4.325 481 HA ASP 63 HA ASP 63 -0.626 -11.865 -6.958 482 HB2 ASP 63 1HB ASP 63 0.629 -12.295 -4.605 483 HB3 ASP 63 2HB ASP 63 -0.565 -13.571 -4.473 484 H SER 64 H SER 64 -1.361 -14.670 -5.990 485 HA SER 64 HA SER 64 -3.806 -14.914 -7.085 486 HB2 SER 64 1HB SER 64 -2.148 -16.548 -5.219 487 HB3 SER 64 2HB SER 64 -3.846 -16.981 -5.276 488 HG SER 64 HG SER 64 -3.242 -16.699 -7.816 489 H GLY 65 H GLY 65 -5.361 -13.359 -6.434 490 HA2 GLY 65 1HA GLY 65 -6.801 -12.271 -5.067 491 HA3 GLY 65 2HA GLY 65 -7.175 -13.895 -4.525 492 H ASN 66 H ASN 66 -4.205 -11.850 -4.078 493 HA ASN 66 HA ASN 66 -4.838 -11.541 -1.312 494 HB2 ASN 66 1HB ASN 66 -2.609 -13.362 -2.293 495 HB3 ASN 66 2HB ASN 66 -2.397 -12.486 -0.790 496 HD21 ASN 66 1HD2 ASN 66 -2.707 -15.362 -1.401 497 HD22 ASN 66 2HD2 ASN 66 -4.015 -15.941 -0.424 498 H TRP 67 H TRP 67 -2.961 -10.192 -0.238 499 HA TRP 67 HA TRP 67 -1.823 -8.440 -2.303 500 HB2 TRP 67 1HB TRP 67 -2.697 -7.910 0.535 501 HB3 TRP 67 2HB TRP 67 -1.692 -6.797 -0.372 502 HD1 TRP 67 HD1 TRP 67 -5.310 -7.879 -0.012 503 HE1 TRP 67 HE1 TRP 67 -6.929 -6.464 -1.543 504 HE3 TRP 67 HE3 TRP 67 -1.638 -5.619 -2.708 505 HZ2 TRP 67 HZ2 TRP 67 -6.501 -4.600 -3.661 506 HZ3 TRP 67 HZ3 TRP 67 -2.325 -4.016 -4.489 507 HH2 TRP 67 HH2 TRP 67 -4.661 -3.494 -4.983 508 H VAL 68 H VAL 68 0.416 -7.937 -2.193 509 HA VAL 68 HA VAL 68 1.936 -9.177 -0.043 510 HB VAL 68 HB VAL 68 3.246 -10.510 -1.384 511 HG11 VAL 68 1HG1 VAL 68 0.545 -10.619 -2.770 512 HG12 VAL 68 2HG1 VAL 68 1.764 -11.915 -2.720 513 HG13 VAL 68 3HG1 VAL 68 0.948 -11.404 -1.224 514 HG21 VAL 68 1HG2 VAL 68 4.104 -9.441 -3.176 515 HG22 VAL 68 2HG2 VAL 68 2.766 -10.217 -4.058 516 HG23 VAL 68 3HG2 VAL 68 2.601 -8.539 -3.488 517 H ILE 69 H ILE 69 4.134 -8.284 0.123 518 HA ILE 69 HA ILE 69 4.371 -5.733 -1.314 519 HB ILE 69 HB ILE 69 3.637 -5.362 0.977 520 HG12 ILE 69 1HG1 ILE 69 6.471 -4.480 1.108 521 HG13 ILE 69 2HG1 ILE 69 5.596 -4.043 -0.346 522 HG21 ILE 69 1HG2 ILE 69 6.041 -7.045 1.669 523 HG22 ILE 69 2HG2 ILE 69 5.343 -5.879 2.819 524 HG23 ILE 69 3HG2 ILE 69 4.352 -7.223 2.202 525 HD11 ILE 69 1HD1 ILE 69 5.013 -3.274 2.520 526 HD12 ILE 69 2HD1 ILE 69 5.102 -2.240 1.074 527 HD13 ILE 69 3HD1 ILE 69 3.691 -3.294 1.328 528 H GLN 70 H GLN 70 6.514 -5.088 -1.888 529 HA GLN 70 HA GLN 70 8.561 -7.063 -1.358 530 HB2 GLN 70 1HB GLN 70 7.482 -7.642 -3.561 531 HB3 GLN 70 2HB GLN 70 7.930 -6.061 -4.169 532 HG2 GLN 70 1HG GLN 70 10.132 -6.642 -4.445 533 HG3 GLN 70 2HG GLN 70 10.194 -7.527 -2.933 534 HE21 GLN 70 1HE2 GLN 70 9.437 -9.671 -2.831 535 HE22 GLN 70 2HE2 GLN 70 9.349 -10.682 -4.234 536 H ASP 71 H ASP 71 10.463 -6.076 -0.786 537 HA ASP 71 HA ASP 71 10.517 -3.224 -0.961 538 HB2 ASP 71 1HB ASP 71 11.336 -4.025 1.104 539 HB3 ASP 71 2HB ASP 71 12.180 -5.371 0.364 540 H LEU 72 H LEU 72 11.292 -2.302 -2.869 541 HA LEU 72 HA LEU 72 12.901 -3.812 -4.666 542 HB2 LEU 72 1HB LEU 72 11.995 -0.932 -4.637 543 HB3 LEU 72 2HB LEU 72 12.921 -1.652 -5.939 544 HG LEU 72 HG LEU 72 11.151 -2.827 -6.761 545 HD11 LEU 72 1HD1 LEU 72 9.825 -2.892 -4.037 546 HD12 LEU 72 2HD1 LEU 72 9.326 -3.774 -5.501 547 HD13 LEU 72 3HD1 LEU 72 10.864 -4.176 -4.702 548 HD21 LEU 72 1HD2 LEU 72 10.384 -0.248 -5.682 549 HD22 LEU 72 2HD2 LEU 72 9.980 -1.002 -7.243 550 HD23 LEU 72 3HD2 LEU 72 8.986 -1.342 -5.806 551 H GLY 73 H GLY 73 14.401 -4.134 -2.557 552 HA2 GLY 73 1HA GLY 73 16.285 -3.546 -1.411 553 HA3 GLY 73 2HA GLY 73 16.895 -3.399 -3.047 554 H SER 74 H SER 74 14.517 -1.333 -1.245 555 HA SER 74 HA SER 74 15.523 1.014 -2.250 556 HB2 SER 74 1HB SER 74 13.293 0.819 -1.226 557 HB3 SER 74 2HB SER 74 14.003 0.482 0.340 558 HG SER 74 HG SER 74 14.543 2.582 0.616 559 H SER 75 H SER 75 16.831 2.719 -1.251 560 HA SER 75 HA SER 75 19.069 1.673 0.061 561 HB2 SER 75 1HB SER 75 18.392 4.036 -1.330 562 HB3 SER 75 2HB SER 75 18.795 4.583 0.285 563 HG SER 75 HG SER 75 20.463 3.683 -1.712 564 H ASN 76 H ASN 76 17.897 0.655 1.943 565 HA ASN 76 HA ASN 76 18.363 1.843 4.257 566 HB2 ASN 76 1HB ASN 76 15.962 3.041 3.053 567 HB3 ASN 76 2HB ASN 76 15.569 2.284 4.584 568 HD21 ASN 76 1HD2 ASN 76 15.508 5.051 4.025 569 HD22 ASN 76 2HD2 ASN 76 16.657 5.861 5.036 570 H GLY 77 H GLY 77 15.189 0.587 2.953 571 HA2 GLY 77 1HA GLY 77 14.949 -1.885 3.001 572 HA3 GLY 77 2HA GLY 77 15.543 -1.813 4.648 573 H THR 78 H THR 78 12.967 -2.887 3.830 574 HA THR 78 HA THR 78 11.155 -0.877 4.995 575 HB THR 78 HB THR 78 10.395 -3.296 3.295 576 HG1 THR 78 HG1 THR 78 11.326 -2.109 1.679 577 HG21 THR 78 1HG2 THR 78 9.067 -0.564 3.382 578 HG22 THR 78 2HG2 THR 78 8.360 -2.131 2.920 579 HG23 THR 78 3HG2 THR 78 8.684 -1.771 4.633 580 H LEU 79 H LEU 79 9.784 -1.430 6.691 581 HA LEU 79 HA LEU 79 10.474 -3.996 7.947 582 HB2 LEU 79 1HB LEU 79 10.078 -1.251 9.082 583 HB3 LEU 79 2HB LEU 79 9.733 -2.660 10.064 584 HG LEU 79 HG LEU 79 12.399 -2.166 8.715 585 HD11 LEU 79 1HD1 LEU 79 11.334 -1.269 11.367 586 HD12 LEU 79 2HD1 LEU 79 13.049 -1.721 11.220 587 HD13 LEU 79 3HD1 LEU 79 12.382 -0.419 10.206 588 HD21 LEU 79 1HD2 LEU 79 13.174 -4.066 9.665 589 HD22 LEU 79 2HD2 LEU 79 12.137 -3.908 11.103 590 HD23 LEU 79 3HD2 LEU 79 11.457 -4.529 9.580 591 H LEU 80 H LEU 80 8.774 -5.220 8.881 592 HA LEU 80 HA LEU 80 6.091 -4.229 8.225 593 HB2 LEU 80 1HB LEU 80 7.047 -5.936 6.599 594 HB3 LEU 80 2HB LEU 80 6.962 -7.097 7.909 595 HG LEU 80 HG LEU 80 4.546 -6.845 8.047 596 HD11 LEU 80 1HD1 LEU 80 3.467 -5.501 6.083 597 HD12 LEU 80 2HD1 LEU 80 3.995 -4.660 7.560 598 HD13 LEU 80 3HD1 LEU 80 5.009 -4.612 6.098 599 HD21 LEU 80 1HD2 LEU 80 3.944 -7.969 6.046 600 HD22 LEU 80 2HD2 LEU 80 5.285 -7.228 5.140 601 HD23 LEU 80 3HD2 LEU 80 5.625 -8.431 6.407 602 H ASN 81 H ASN 81 5.278 -3.720 10.205 603 HA ASN 81 HA ASN 81 4.455 -4.038 12.190 604 HB2 ASN 81 1HB ASN 81 5.351 -6.963 12.025 605 HB3 ASN 81 2HB ASN 81 4.161 -6.312 13.135 606 HD21 ASN 81 1HD2 ASN 81 4.689 -7.784 10.187 607 HD22 ASN 81 2HD2 ASN 81 3.145 -7.554 9.437 608 H SER 82 H SER 82 7.204 -6.442 12.076 609 HA SER 82 HA SER 82 8.902 -4.733 13.534 610 HB2 SER 82 1HB SER 82 8.969 -5.777 15.649 611 HB3 SER 82 2HB SER 82 7.255 -5.691 15.297 612 HG SER 82 HG SER 82 8.691 -7.881 15.868 613 H ASN 83 H ASN 83 9.140 -5.979 11.043 614 HA ASN 83 HA ASN 83 11.412 -7.632 11.560 615 HB2 ASN 83 1HB ASN 83 8.829 -8.756 10.669 616 HB3 ASN 83 2HB ASN 83 10.104 -9.088 9.513 617 HD21 ASN 83 1HD2 ASN 83 9.323 -9.188 12.969 618 HD22 ASN 83 2HD2 ASN 83 10.259 -10.588 13.374 619 H ALA 84 H ALA 84 12.944 -7.277 9.888 620 HA ALA 84 HA ALA 84 12.264 -5.303 7.934 621 HB1 ALA 84 1HB ALA 84 14.436 -4.915 8.404 622 HB2 ALA 84 2HB ALA 84 14.652 -6.536 9.106 623 HB3 ALA 84 3HB ALA 84 14.803 -6.300 7.348 624 H LEU 85 H LEU 85 11.461 -5.667 5.928 625 HA LEU 85 HA LEU 85 10.999 -8.317 5.060 626 HB2 LEU 85 1HB LEU 85 10.750 -5.695 3.580 627 HB3 LEU 85 2HB LEU 85 10.098 -7.234 3.055 628 HG LEU 85 HG LEU 85 9.294 -5.865 5.634 629 HD11 LEU 85 1HD1 LEU 85 8.104 -4.421 4.445 630 HD12 LEU 85 2HD1 LEU 85 8.594 -5.199 2.921 631 HD13 LEU 85 3HD1 LEU 85 7.160 -5.785 3.799 632 HD21 LEU 85 1HD2 LEU 85 8.012 -7.632 6.079 633 HD22 LEU 85 2HD2 LEU 85 7.402 -7.717 4.409 634 HD23 LEU 85 3HD2 LEU 85 8.947 -8.493 4.832 635 H ASP 86 H ASP 86 11.610 -8.765 2.553 636 HA ASP 86 HA ASP 86 14.459 -8.190 2.345 637 HB2 ASP 86 1HB ASP 86 13.284 -10.705 2.823 638 HB3 ASP 86 2HB ASP 86 13.595 -10.721 1.098 639 HA PRO 87 HA PRO 87 13.297 -7.111 -1.747 640 HB2 PRO 87 1HB PRO 87 15.715 -7.174 -3.019 641 HB3 PRO 87 2HB PRO 87 15.185 -5.825 -2.034 642 HG2 PRO 87 1HG PRO 87 17.169 -7.921 -1.394 643 HG3 PRO 87 2HG PRO 87 16.937 -6.360 -0.632 644 HD2 PRO 87 1HD PRO 87 16.121 -8.911 0.397 645 HD3 PRO 87 2HD PRO 87 15.787 -7.341 1.101 646 H GLU 88 H GLU 88 15.198 -10.006 -1.343 647 HA GLU 88 HA GLU 88 14.199 -10.957 -3.874 648 HB2 GLU 88 1HB GLU 88 16.153 -12.131 -1.853 649 HB3 GLU 88 2HB GLU 88 15.662 -12.973 -3.309 650 HG2 GLU 88 1HG GLU 88 16.420 -10.880 -4.621 651 HG3 GLU 88 2HG GLU 88 17.142 -10.314 -3.128 652 H THR 89 H THR 89 12.433 -10.447 -1.455 653 HA THR 89 HA THR 89 11.031 -12.967 -1.586 654 HB THR 89 HB THR 89 11.964 -11.864 1.114 655 HG1 THR 89 HG1 THR 89 13.796 -12.910 0.422 656 HG21 THR 89 1HG2 THR 89 10.834 -13.639 2.065 657 HG22 THR 89 2HG2 THR 89 9.868 -13.596 0.571 658 HG23 THR 89 3HG2 THR 89 11.234 -14.728 0.716 659 H SER 90 H SER 90 8.834 -12.745 -1.324 660 HA SER 90 HA SER 90 8.001 -10.022 -0.692 661 HB2 SER 90 1HB SER 90 7.730 -11.247 -3.145 662 HB3 SER 90 2HB SER 90 6.199 -11.665 -2.401 663 HG SER 90 HG SER 90 6.032 -9.289 -1.860 664 H VAL 91 H VAL 91 6.593 -9.861 1.028 665 HA VAL 91 HA VAL 91 5.479 -12.376 2.028 666 HB VAL 91 HB VAL 91 5.615 -9.739 3.475 667 HG11 VAL 91 1HG1 VAL 91 4.424 -12.139 4.127 668 HG12 VAL 91 2HG1 VAL 91 5.998 -12.251 4.951 669 HG13 VAL 91 3HG1 VAL 91 4.916 -10.877 5.282 670 HG21 VAL 91 1HG2 VAL 91 7.883 -10.268 2.656 671 HG22 VAL 91 2HG2 VAL 91 7.764 -10.406 4.427 672 HG23 VAL 91 3HG2 VAL 91 7.776 -11.873 3.419 673 H ASN 92 H ASN 92 3.238 -12.517 2.609 674 HA ASN 92 HA ASN 92 1.628 -10.928 0.873 675 HB2 ASN 92 1HB ASN 92 -0.204 -12.433 1.599 676 HB3 ASN 92 2HB ASN 92 1.213 -13.379 1.190 677 HD21 ASN 92 1HD2 ASN 92 -1.197 -13.041 3.349 678 HD22 ASN 92 2HD2 ASN 92 -0.501 -13.745 4.770 679 H LEU 93 H LEU 93 0.867 -8.929 1.581 680 HA LEU 93 HA LEU 93 1.109 -7.953 4.122 681 HB2 LEU 93 1HB LEU 93 -0.740 -7.261 1.851 682 HB3 LEU 93 2HB LEU 93 -0.761 -6.369 3.360 683 HG LEU 93 HG LEU 93 1.738 -6.715 1.688 684 HD11 LEU 93 1HD1 LEU 93 1.066 -4.138 1.265 685 HD12 LEU 93 2HD1 LEU 93 0.632 -5.468 0.166 686 HD13 LEU 93 3HD1 LEU 93 -0.555 -4.868 1.349 687 HD21 LEU 93 1HD2 LEU 93 1.211 -5.610 4.289 688 HD22 LEU 93 2HD2 LEU 93 2.757 -5.789 3.425 689 HD23 LEU 93 3HD2 LEU 93 1.770 -4.326 3.191 690 H GLY 94 H GLY 94 -0.712 -7.306 5.661 691 HA2 GLY 94 1HA GLY 94 -2.866 -9.302 5.743 692 HA3 GLY 94 2HA GLY 94 -1.759 -9.195 7.098 693 H ASP 95 H ASP 95 -4.560 -8.699 7.348 694 HA ASP 95 HA ASP 95 -5.056 -5.936 7.181 695 HB2 ASP 95 1HB ASP 95 -6.966 -6.718 8.886 696 HB3 ASP 95 2HB ASP 95 -7.048 -7.119 7.182 697 H GLY 96 H GLY 96 -3.672 -4.641 8.465 698 HA2 GLY 96 1HA GLY 96 -3.596 -3.650 10.659 699 HA3 GLY 96 2HA GLY 96 -3.634 -5.257 11.357 700 H ASP 97 H ASP 97 -1.751 -4.863 8.416 701 HA ASP 97 HA ASP 97 0.608 -5.413 9.944 702 HB2 ASP 97 1HB ASP 97 -0.030 -5.251 6.973 703 HB3 ASP 97 2HB ASP 97 1.621 -5.423 7.533 704 H VAL 98 H VAL 98 2.073 -3.793 10.523 705 HA VAL 98 HA VAL 98 1.644 -1.150 9.376 706 HB VAL 98 HB VAL 98 2.934 -2.252 11.847 707 HG11 VAL 98 1HG1 VAL 98 3.551 0.379 10.510 708 HG12 VAL 98 2HG1 VAL 98 3.614 0.216 12.282 709 HG13 VAL 98 3HG1 VAL 98 4.660 -0.795 11.256 710 HG21 VAL 98 1HG2 VAL 98 0.635 -1.732 12.115 711 HG22 VAL 98 2HG2 VAL 98 1.527 -0.382 12.856 712 HG23 VAL 98 3HG2 VAL 98 0.801 -0.190 11.243 713 H ILE 99 H ILE 99 2.942 -0.347 7.808 714 HA ILE 99 HA ILE 99 5.421 -1.821 7.292 715 HB ILE 99 HB ILE 99 3.815 -0.018 5.478 716 HG12 ILE 99 1HG1 ILE 99 4.038 -3.033 5.353 717 HG13 ILE 99 2HG1 ILE 99 2.731 -2.211 6.181 718 HG21 ILE 99 1HG2 ILE 99 6.466 -0.532 5.269 719 HG22 ILE 99 2HG2 ILE 99 5.795 -1.914 4.370 720 HG23 ILE 99 3HG2 ILE 99 5.386 -0.251 3.882 721 HD11 ILE 99 1HD1 ILE 99 1.655 -1.971 4.208 722 HD12 ILE 99 2HD1 ILE 99 2.993 -0.954 3.620 723 HD13 ILE 99 3HD1 ILE 99 3.030 -2.713 3.354 724 H LYS 100 H LYS 100 7.067 -0.908 8.434 725 HA LYS 100 HA LYS 100 7.103 1.997 8.658 726 HB2 LYS 100 1HB LYS 100 8.160 -0.274 10.228 727 HB3 LYS 100 2HB LYS 100 9.246 1.095 10.098 728 HG2 LYS 100 1HG LYS 100 7.673 2.597 11.089 729 HG3 LYS 100 2HG LYS 100 6.321 1.523 10.795 730 HD2 LYS 100 1HD LYS 100 8.583 1.097 12.799 731 HD3 LYS 100 2HD LYS 100 6.906 1.438 13.173 732 HE2 LYS 100 1HE LYS 100 6.627 -0.802 11.584 733 HE3 LYS 100 2HE LYS 100 8.177 -1.128 12.335 734 HZ1 LYS 100 1HZ LYS 100 6.569 -1.960 13.770 735 HZ2 LYS 100 2HZ LYS 100 7.037 -0.564 14.477 736 HZ3 LYS 100 3HZ LYS 100 5.619 -0.635 13.671 737 H LEU 101 H LEU 101 7.935 2.987 6.884 738 HA LEU 101 HA LEU 101 10.476 1.901 5.894 739 HB2 LEU 101 1HB LEU 101 9.872 2.379 3.661 740 HB3 LEU 101 2HB LEU 101 8.597 1.405 4.367 741 HG LEU 101 HG LEU 101 8.241 4.368 4.426 742 HD11 LEU 101 1HD1 LEU 101 9.159 3.649 2.119 743 HD12 LEU 101 2HD1 LEU 101 7.570 2.879 1.898 744 HD13 LEU 101 3HD1 LEU 101 7.677 4.632 2.186 745 HD21 LEU 101 1HD2 LEU 101 6.666 2.075 4.930 746 HD22 LEU 101 2HD2 LEU 101 6.177 3.786 4.985 747 HD23 LEU 101 3HD2 LEU 101 5.993 2.856 3.478 748 H GLY 102 H GLY 102 11.803 3.638 4.741 749 HA2 GLY 102 1HA GLY 102 12.760 5.677 4.695 750 HA3 GLY 102 2HA GLY 102 11.246 6.376 5.235 751 H GLU 103 H GLU 103 11.706 7.662 6.980 752 HA GLU 103 HA GLU 103 13.654 6.671 8.874 753 HB2 GLU 103 1HB GLU 103 12.290 9.388 8.625 754 HB3 GLU 103 2HB GLU 103 13.502 8.994 9.828 755 HG2 GLU 103 1HG GLU 103 14.815 8.186 7.559 756 HG3 GLU 103 2HG GLU 103 13.823 9.466 6.890 757 H TYR 104 H TYR 104 10.489 8.456 9.144 758 HA TYR 104 HA TYR 104 9.728 6.524 11.221 759 HB2 TYR 104 1HB TYR 104 9.502 9.597 11.117 760 HB3 TYR 104 2HB TYR 104 8.732 8.625 12.355 761 HD1 TYR 104 HD1 TYR 104 10.206 7.253 13.926 762 HD2 TYR 104 HD2 TYR 104 11.769 10.265 11.321 763 HE1 TYR 104 HE1 TYR 104 12.320 7.384 15.333 764 HE2 TYR 104 HE2 TYR 104 13.877 10.386 12.736 765 HH TYR 104 HH TYR 104 14.993 9.511 14.376 766 H THR 105 H THR 105 8.894 6.086 8.658 767 HA THR 105 HA THR 105 6.167 7.206 8.631 768 HB THR 105 HB THR 105 8.109 6.410 6.411 769 HG1 THR 105 HG1 THR 105 8.143 8.600 7.288 770 HG21 THR 105 1HG2 THR 105 6.248 5.781 5.204 771 HG22 THR 105 2HG2 THR 105 5.133 6.448 6.420 772 HG23 THR 105 3HG2 THR 105 5.863 7.519 5.200 773 H SER 106 H SER 106 4.643 5.835 9.281 774 HA SER 106 HA SER 106 5.172 3.014 8.756 775 HB2 SER 106 1HB SER 106 3.494 4.205 11.008 776 HB3 SER 106 2HB SER 106 3.818 2.500 10.760 777 HG SER 106 HG SER 106 6.013 4.333 11.023 778 H ILE 107 H ILE 107 3.610 1.881 7.594 779 HA ILE 107 HA ILE 107 1.128 3.354 7.038 780 HB ILE 107 HB ILE 107 2.541 1.479 5.146 781 HG12 ILE 107 1HG1 ILE 107 2.693 4.506 5.256 782 HG13 ILE 107 2HG1 ILE 107 4.002 3.394 5.606 783 HG21 ILE 107 1HG2 ILE 107 -0.037 2.778 5.172 784 HG22 ILE 107 2HG2 ILE 107 0.929 3.332 3.784 785 HG23 ILE 107 3HG2 ILE 107 0.631 1.594 4.023 786 HD11 ILE 107 1HD1 ILE 107 4.375 4.021 3.347 787 HD12 ILE 107 2HD1 ILE 107 3.582 2.433 3.217 788 HD13 ILE 107 3HD1 ILE 107 2.645 3.921 2.941 789 H LEU 108 H LEU 108 -0.702 2.356 7.692 790 HA LEU 108 HA LEU 108 -0.437 -0.387 8.621 791 HB2 LEU 108 1HB LEU 108 -1.482 1.688 9.860 792 HB3 LEU 108 2HB LEU 108 -2.906 1.271 8.927 793 HG LEU 108 HG LEU 108 -1.478 -0.764 10.644 794 HD11 LEU 108 1HD1 LEU 108 -3.606 -0.137 12.166 795 HD12 LEU 108 2HD1 LEU 108 -1.995 0.590 12.379 796 HD13 LEU 108 3HD1 LEU 108 -3.253 1.464 11.473 797 HD21 LEU 108 1HD2 LEU 108 -3.936 -1.636 10.676 798 HD22 LEU 108 2HD2 LEU 108 -4.121 -0.618 9.228 799 HD23 LEU 108 3HD2 LEU 108 -2.909 -1.921 9.250 800 H VAL 109 H VAL 109 -1.482 -2.135 7.709 801 HA VAL 109 HA VAL 109 -2.785 -1.560 5.152 802 HB VAL 109 HB VAL 109 -1.440 -4.012 6.292 803 HG11 VAL 109 1HG1 VAL 109 -2.447 -5.345 4.806 804 HG12 VAL 109 2HG1 VAL 109 -3.599 -4.019 4.516 805 HG13 VAL 109 3HG1 VAL 109 -2.164 -4.194 3.478 806 HG21 VAL 109 1HG2 VAL 109 0.167 -2.430 5.508 807 HG22 VAL 109 2HG2 VAL 109 0.026 -3.687 4.256 808 HG23 VAL 109 3HG2 VAL 109 -0.769 -2.111 4.028 809 H ASN 110 H ASN 110 -4.964 -1.672 5.036 810 HA ASN 110 HA ASN 110 -6.257 -3.402 6.992 811 HB2 ASN 110 1HB ASN 110 -6.658 -0.518 6.422 812 HB3 ASN 110 2HB ASN 110 -8.153 -1.428 6.341 813 HD21 ASN 110 1HD2 ASN 110 -5.247 -1.959 8.311 814 HD22 ASN 110 2HD2 ASN 110 -5.998 -1.813 9.865 815 H PHE 111 H PHE 111 -7.668 -4.884 6.010 816 HA PHE 111 HA PHE 111 -8.006 -4.656 3.145 817 HB2 PHE 111 1HB PHE 111 -8.656 -6.728 5.320 818 HB3 PHE 111 2HB PHE 111 -9.079 -6.990 3.640 819 HD1 PHE 111 HD1 PHE 111 -6.613 -5.831 2.354 820 HD2 PHE 111 HD2 PHE 111 -7.083 -8.431 5.675 821 HE1 PHE 111 HE1 PHE 111 -4.332 -6.787 1.929 822 HE2 PHE 111 HE2 PHE 111 -4.801 -9.386 5.250 823 HZ PHE 111 HZ PHE 111 -3.453 -8.553 3.382 824 H VAL 112 H VAL 112 -9.684 -3.418 2.427 825 HA VAL 112 HA VAL 112 -12.064 -3.219 4.067 826 HB VAL 112 HB VAL 112 -11.311 -1.909 1.447 827 HG11 VAL 112 1HG1 VAL 112 -13.361 -0.853 3.380 828 HG12 VAL 112 2HG1 VAL 112 -13.181 -0.546 1.636 829 HG13 VAL 112 3HG1 VAL 112 -13.807 -2.112 2.204 830 HG21 VAL 112 1HG2 VAL 112 -10.558 -0.029 2.666 831 HG22 VAL 112 2HG2 VAL 112 -11.248 -0.635 4.191 832 HG23 VAL 112 3HG2 VAL 112 -9.827 -1.435 3.476 833 H SER 113 H SER 113 -13.549 -4.820 3.923 834 HA SER 113 HA SER 113 -13.780 -6.149 1.353 835 HB2 SER 113 1HB SER 113 -13.596 -7.185 3.905 836 HB3 SER 113 2HB SER 113 -15.333 -7.186 3.670 837 HG SER 113 HG SER 113 -13.720 -8.178 1.537 838 H GLY 114 H GLY 114 -15.750 -6.172 0.192 839 HA2 GLY 114 1HA GLY 114 -17.645 -4.102 0.939 840 HA3 GLY 114 2HA GLY 114 -17.573 -5.003 -0.562 841 HA PRO 115 HA PRO 115 -20.752 -6.786 2.331 842 HB2 PRO 115 1HB PRO 115 -23.045 -5.546 1.510 843 HB3 PRO 115 2HB PRO 115 -22.133 -5.039 2.917 844 HG2 PRO 115 1HG PRO 115 -22.286 -3.769 0.253 845 HG3 PRO 115 2HG PRO 115 -21.744 -3.077 1.769 846 HD2 PRO 115 1HD PRO 115 -20.091 -3.970 -0.398 847 HD3 PRO 115 2HD PRO 115 -19.548 -3.387 1.163 848 H SER 116 H SER 116 -19.808 -8.448 0.851 849 HA SER 116 HA SER 116 -21.340 -8.819 -1.520 850 HB2 SER 116 1HB SER 116 -19.890 -10.740 -1.907 851 HB3 SER 116 2HB SER 116 -18.910 -9.392 -1.365 852 HG SER 116 HG SER 116 -19.234 -11.868 -0.218 853 H SER 117 H SER 117 -23.358 -9.732 -1.499 854 HA SER 117 HA SER 117 -23.826 -11.748 0.558 855 HB2 SER 117 1HB SER 117 -25.357 -9.343 -0.186 856 HB3 SER 117 2HB SER 117 -26.348 -10.789 -0.212 857 HG SER 117 HG SER 117 -25.016 -9.538 1.975 858 H GLY 118 H GLY 118 -25.069 -13.621 -0.087 859 HA2 GLY 118 1HA GLY 118 -25.713 -15.237 -1.508 860 HA3 GLY 118 2HA GLY 118 -26.348 -13.963 -2.530 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -36.488 -7.087 -8.510 2 HA2 GLY 1 1HA GLY 1 -34.614 -9.003 -7.520 3 HA3 GLY 1 2HA GLY 1 -33.873 -7.913 -8.675 4 H SER 2 H SER 2 -32.793 -7.688 -6.254 5 HA SER 2 HA SER 2 -33.778 -5.126 -5.400 6 HB2 SER 2 1HB SER 2 -33.810 -5.734 -3.011 7 HB3 SER 2 2HB SER 2 -34.965 -6.700 -3.907 8 HG SER 2 HG SER 2 -33.224 -7.686 -2.283 9 H SER 3 H SER 3 -32.132 -4.063 -3.858 10 HA SER 3 HA SER 3 -29.676 -4.059 -4.959 11 HB2 SER 3 1HB SER 3 -30.958 -2.922 -2.641 12 HB3 SER 3 2HB SER 3 -29.363 -3.464 -2.158 13 HG SER 3 HG SER 3 -30.083 -1.313 -3.747 14 H GLY 4 H GLY 4 -27.551 -4.882 -4.256 15 HA2 GLY 4 1HA GLY 4 -26.232 -6.278 -2.893 16 HA3 GLY 4 2HA GLY 4 -27.657 -7.191 -2.435 17 H SER 5 H SER 5 -27.054 -9.260 -3.099 18 HA SER 5 HA SER 5 -26.717 -10.930 -4.442 19 HB2 SER 5 1HB SER 5 -27.996 -8.964 -6.330 20 HB3 SER 5 2HB SER 5 -27.292 -10.413 -7.018 21 HG SER 5 HG SER 5 -28.794 -11.035 -4.783 22 H SER 6 H SER 6 -24.610 -11.568 -4.706 23 HA SER 6 HA SER 6 -22.593 -11.717 -5.501 24 HB2 SER 6 1HB SER 6 -24.024 -10.476 -7.690 25 HB3 SER 6 2HB SER 6 -22.412 -9.792 -7.620 26 HG SER 6 HG SER 6 -22.653 -12.622 -7.358 27 H GLY 7 H GLY 7 -20.762 -10.865 -4.553 28 HA2 GLY 7 1HA GLY 7 -20.836 -7.992 -3.868 29 HA3 GLY 7 2HA GLY 7 -20.031 -9.246 -2.945 30 H MET 8 H MET 8 -17.841 -9.247 -3.148 31 HA MET 8 HA MET 8 -16.710 -9.100 -5.759 32 HB2 MET 8 1HB MET 8 -16.494 -6.848 -3.731 33 HB3 MET 8 2HB MET 8 -15.106 -7.184 -4.746 34 HG2 MET 8 1HG MET 8 -17.212 -7.193 -6.586 35 HG3 MET 8 2HG MET 8 -17.699 -5.942 -5.461 36 HE1 MET 8 1HE MET 8 -16.335 -3.497 -7.846 37 HE2 MET 8 2HE MET 8 -16.728 -5.032 -8.657 38 HE3 MET 8 3HE MET 8 -17.725 -4.464 -7.296 39 H VAL 9 H VAL 9 -14.498 -9.858 -5.808 40 HA VAL 9 HA VAL 9 -13.784 -11.255 -3.342 41 HB VAL 9 HB VAL 9 -12.406 -12.641 -4.778 42 HG11 VAL 9 1HG1 VAL 9 -14.638 -13.422 -4.522 43 HG12 VAL 9 2HG1 VAL 9 -15.265 -12.237 -5.694 44 HG13 VAL 9 3HG1 VAL 9 -14.247 -13.587 -6.251 45 HG21 VAL 9 1HG2 VAL 9 -11.636 -11.948 -6.750 46 HG22 VAL 9 2HG2 VAL 9 -13.295 -11.832 -7.383 47 HG23 VAL 9 3HG2 VAL 9 -12.555 -10.435 -6.566 48 H THR 10 H THR 10 -11.505 -11.260 -2.646 49 HA THR 10 HA THR 10 -9.641 -10.207 -2.046 50 HB THR 10 HB THR 10 -9.626 -8.770 -4.727 51 HG1 THR 10 HG1 THR 10 -8.823 -10.971 -5.451 52 HG21 THR 10 1HG2 THR 10 -7.498 -10.393 -3.237 53 HG22 THR 10 2HG2 THR 10 -7.252 -9.394 -4.689 54 HG23 THR 10 3HG2 THR 10 -7.639 -8.621 -3.133 55 HA PRO 11 HA PRO 11 -11.339 -6.515 -0.504 56 HB2 PRO 11 1HB PRO 11 -9.722 -6.307 1.689 57 HB3 PRO 11 2HB PRO 11 -11.202 -7.245 1.675 58 HG2 PRO 11 1HG PRO 11 -8.405 -8.196 1.579 59 HG3 PRO 11 2HG PRO 11 -9.854 -9.090 1.990 60 HD2 PRO 11 1HD PRO 11 -8.410 -9.205 -0.486 61 HD3 PRO 11 2HD PRO 11 -9.923 -10.009 -0.117 62 H SER 12 H SER 12 -10.928 -4.294 -0.492 63 HA SER 12 HA SER 12 -8.846 -3.636 -2.229 64 HB2 SER 12 1HB SER 12 -11.116 -2.350 -1.033 65 HB3 SER 12 2HB SER 12 -9.725 -1.334 -0.712 66 HG SER 12 HG SER 12 -10.445 -2.355 -3.327 67 H LEU 13 H LEU 13 -6.948 -2.244 -1.781 68 HA LEU 13 HA LEU 13 -5.814 -2.901 0.813 69 HB2 LEU 13 1HB LEU 13 -4.616 -3.398 -1.301 70 HB3 LEU 13 2HB LEU 13 -4.537 -1.680 -1.638 71 HG LEU 13 HG LEU 13 -3.149 -1.308 0.331 72 HD11 LEU 13 1HD1 LEU 13 -2.335 -3.856 1.150 73 HD12 LEU 13 2HD1 LEU 13 -3.316 -2.686 2.065 74 HD13 LEU 13 3HD1 LEU 13 -4.111 -3.935 1.079 75 HD21 LEU 13 1HD2 LEU 13 -1.403 -1.693 -0.978 76 HD22 LEU 13 2HD2 LEU 13 -1.487 -3.434 -0.615 77 HD23 LEU 13 3HD2 LEU 13 -2.401 -2.765 -1.989 78 H ARG 14 H ARG 14 -6.233 -1.519 2.451 79 HA ARG 14 HA ARG 14 -6.503 1.278 1.729 80 HB2 ARG 14 1HB ARG 14 -8.427 0.683 2.960 81 HB3 ARG 14 2HB ARG 14 -7.555 -0.439 3.985 82 HG2 ARG 14 1HG ARG 14 -6.676 1.282 5.357 83 HG3 ARG 14 2HG ARG 14 -6.888 2.512 4.128 84 HD2 ARG 14 1HD ARG 14 -8.560 2.572 6.086 85 HD3 ARG 14 2HD ARG 14 -9.258 2.627 4.479 86 HE ARG 14 HE ARG 14 -9.247 -0.063 4.957 87 HH11 ARG 14 1HH1 ARG 14 -10.322 2.650 6.923 88 HH12 ARG 14 2HH1 ARG 14 -11.541 1.736 7.746 89 HH21 ARG 14 1HH2 ARG 14 -10.856 -1.270 6.042 90 HH22 ARG 14 2HH2 ARG 14 -11.847 -0.509 7.241 91 H LEU 15 H LEU 15 -4.457 2.219 1.815 92 HA LEU 15 HA LEU 15 -2.641 1.390 3.918 93 HB2 LEU 15 1HB LEU 15 -2.357 3.190 1.514 94 HB3 LEU 15 2HB LEU 15 -1.092 2.968 2.706 95 HG LEU 15 HG LEU 15 -2.306 0.680 1.140 96 HD11 LEU 15 1HD1 LEU 15 0.380 1.820 0.468 97 HD12 LEU 15 2HD1 LEU 15 -0.754 0.888 -0.538 98 HD13 LEU 15 3HD1 LEU 15 -1.085 2.599 -0.177 99 HD21 LEU 15 1HD2 LEU 15 -1.009 0.388 3.393 100 HD22 LEU 15 2HD2 LEU 15 -0.661 -0.677 2.011 101 HD23 LEU 15 3HD2 LEU 15 0.425 0.683 2.381 102 H VAL 16 H VAL 16 -2.949 2.265 5.897 103 HA VAL 16 HA VAL 16 -3.928 5.020 6.004 104 HB VAL 16 HB VAL 16 -3.739 2.907 8.160 105 HG11 VAL 16 1HG1 VAL 16 -5.089 4.356 9.512 106 HG12 VAL 16 2HG1 VAL 16 -3.712 5.310 8.912 107 HG13 VAL 16 3HG1 VAL 16 -5.317 5.498 8.166 108 HG21 VAL 16 1HG2 VAL 16 -5.713 2.065 7.517 109 HG22 VAL 16 2HG2 VAL 16 -6.421 3.684 7.295 110 HG23 VAL 16 3HG2 VAL 16 -5.473 2.939 5.985 111 H PHE 17 H PHE 17 -2.566 6.661 6.511 112 HA PHE 17 HA PHE 17 0.167 5.993 7.086 113 HB2 PHE 17 1HB PHE 17 -1.559 8.391 6.414 114 HB3 PHE 17 2HB PHE 17 -0.051 8.733 7.238 115 HD1 PHE 17 HD2 PHE 17 2.086 7.636 6.178 116 HD2 PHE 17 HD1 PHE 17 -1.568 8.229 4.103 117 HE1 PHE 17 HE2 PHE 17 3.309 7.515 3.990 118 HE2 PHE 17 HE1 PHE 17 -0.345 8.108 1.915 119 HZ PHE 17 HZ PHE 17 2.079 7.752 1.884 120 H VAL 18 H VAL 18 0.178 5.093 9.205 121 HA VAL 18 HA VAL 18 -1.071 6.517 11.349 122 HB VAL 18 HB VAL 18 0.202 4.783 12.704 123 HG11 VAL 18 1HG1 VAL 18 -1.279 2.990 11.067 124 HG12 VAL 18 2HG1 VAL 18 -1.782 3.776 12.583 125 HG13 VAL 18 3HG1 VAL 18 -2.112 4.563 11.021 126 HG21 VAL 18 1HG2 VAL 18 1.639 4.467 10.334 127 HG22 VAL 18 2HG2 VAL 18 1.690 3.403 11.761 128 HG23 VAL 18 3HG2 VAL 18 0.595 3.027 10.409 129 H LYS 19 H LYS 19 2.090 6.423 9.752 130 HA LYS 19 HA LYS 19 2.942 8.547 11.569 131 HB2 LYS 19 1HB LYS 19 4.628 6.139 10.821 132 HB3 LYS 19 2HB LYS 19 5.213 7.559 11.664 133 HG2 LYS 19 1HG LYS 19 2.972 6.877 13.171 134 HG3 LYS 19 2HG LYS 19 3.571 5.305 12.681 135 HD2 LYS 19 1HD LYS 19 5.908 6.675 13.412 136 HD3 LYS 19 2HD LYS 19 4.734 7.244 14.581 137 HE2 LYS 19 1HE LYS 19 4.481 5.159 15.563 138 HE3 LYS 19 2HE LYS 19 4.694 4.298 14.051 139 HZ1 LYS 19 1HZ LYS 19 6.904 5.681 15.396 140 HZ2 LYS 19 2HZ LYS 19 6.544 4.112 15.672 141 HZ3 LYS 19 3HZ LYS 19 7.002 4.594 14.181 142 H GLY 20 H GLY 20 5.287 9.311 10.490 143 HA2 GLY 20 1HA GLY 20 6.373 9.972 8.566 144 HA3 GLY 20 2HA GLY 20 5.059 9.356 7.585 145 HA PRO 21 HA PRO 21 4.587 13.888 7.897 146 HB2 PRO 21 1HB PRO 21 4.857 14.510 5.249 147 HB3 PRO 21 2HB PRO 21 6.182 14.596 6.394 148 HG2 PRO 21 1HG PRO 21 5.663 12.565 4.309 149 HG3 PRO 21 2HG PRO 21 7.157 12.910 5.158 150 HD2 PRO 21 1HD PRO 21 5.378 10.712 5.639 151 HD3 PRO 21 2HD PRO 21 6.810 11.122 6.562 152 H ARG 22 H ARG 22 3.130 11.324 6.266 153 HA ARG 22 HA ARG 22 0.854 13.011 5.662 154 HB2 ARG 22 1HB ARG 22 1.994 10.529 4.532 155 HB3 ARG 22 2HB ARG 22 0.267 10.394 4.793 156 HG2 ARG 22 1HG ARG 22 -0.246 12.118 3.285 157 HG3 ARG 22 2HG ARG 22 1.298 12.917 3.501 158 HD2 ARG 22 1HD ARG 22 2.344 11.635 1.894 159 HD3 ARG 22 2HD ARG 22 1.497 10.173 2.356 160 HE ARG 22 HE ARG 22 -0.049 10.613 0.671 161 HH11 ARG 22 1HH1 ARG 22 1.444 13.652 1.632 162 HH12 ARG 22 2HH1 ARG 22 0.614 14.586 0.432 163 HH21 ARG 22 1HH2 ARG 22 -1.143 11.845 -0.912 164 HH22 ARG 22 2HH2 ARG 22 -0.867 13.552 -1.025 165 H GLU 23 H GLU 23 1.977 11.556 8.321 166 HA GLU 23 HA GLU 23 0.325 9.638 9.168 167 HB2 GLU 23 1HB GLU 23 2.172 10.462 10.524 168 HB3 GLU 23 2HB GLU 23 1.408 12.026 10.718 169 HG2 GLU 23 1HG GLU 23 -0.364 9.826 11.563 170 HG3 GLU 23 2HG GLU 23 1.150 9.822 12.447 171 H GLY 24 H GLY 24 -1.867 9.429 9.173 172 HA2 GLY 24 1HA GLY 24 -3.907 10.173 10.215 173 HA3 GLY 24 2HA GLY 24 -3.461 11.827 9.845 174 H ASP 25 H ASP 25 -2.446 9.879 7.256 175 HA ASP 25 HA ASP 25 -4.821 10.667 5.788 176 HB2 ASP 25 1HB ASP 25 -1.953 10.040 5.028 177 HB3 ASP 25 2HB ASP 25 -3.207 9.954 3.806 178 H ALA 26 H ALA 26 -5.411 9.023 3.926 179 HA ALA 26 HA ALA 26 -4.638 6.300 4.376 180 HB1 ALA 26 1HB ALA 26 -6.441 6.893 6.136 181 HB2 ALA 26 2HB ALA 26 -7.569 6.963 4.762 182 HB3 ALA 26 3HB ALA 26 -6.711 5.449 5.133 183 H LEU 27 H LEU 27 -5.044 5.029 2.535 184 HA LEU 27 HA LEU 27 -6.503 6.398 0.390 185 HB2 LEU 27 1HB LEU 27 -3.915 4.879 0.056 186 HB3 LEU 27 2HB LEU 27 -4.840 5.670 -1.205 187 HG LEU 27 HG LEU 27 -3.994 7.417 1.037 188 HD11 LEU 27 1HD1 LEU 27 -1.703 7.600 0.385 189 HD12 LEU 27 2HD1 LEU 27 -2.039 5.884 0.718 190 HD13 LEU 27 3HD1 LEU 27 -1.932 6.461 -0.963 191 HD21 LEU 27 1HD2 LEU 27 -5.184 7.975 -1.232 192 HD22 LEU 27 2HD2 LEU 27 -3.948 9.068 -0.562 193 HD23 LEU 27 3HD2 LEU 27 -3.524 7.943 -1.876 194 H ASP 28 H ASP 28 -6.909 4.675 -1.477 195 HA ASP 28 HA ASP 28 -7.330 2.065 -0.337 196 HB2 ASP 28 1HB ASP 28 -9.406 3.767 -0.127 197 HB3 ASP 28 2HB ASP 28 -9.652 3.317 -1.803 198 H TYR 29 H TYR 29 -7.302 0.441 -2.006 199 HA TYR 29 HA TYR 29 -7.407 1.368 -4.770 200 HB2 TYR 29 1HB TYR 29 -5.192 -0.333 -3.465 201 HB3 TYR 29 2HB TYR 29 -5.238 0.125 -5.155 202 HD1 TYR 29 HD2 TYR 29 -4.763 2.455 -5.843 203 HD2 TYR 29 HD1 TYR 29 -4.466 1.229 -1.755 204 HE1 TYR 29 HE2 TYR 29 -3.430 4.552 -5.304 205 HE2 TYR 29 HE1 TYR 29 -3.134 3.330 -1.229 206 HH TYR 29 HH TYR 29 -3.137 5.921 -2.870 207 H LYS 30 H LYS 30 -8.043 -0.247 -6.260 208 HA LYS 30 HA LYS 30 -9.518 -2.375 -5.086 209 HB2 LYS 30 1HB LYS 30 -9.105 -1.239 -7.808 210 HB3 LYS 30 2HB LYS 30 -9.616 -2.913 -7.722 211 HG2 LYS 30 1HG LYS 30 -11.512 -2.236 -6.212 212 HG3 LYS 30 2HG LYS 30 -11.012 -0.562 -6.355 213 HD2 LYS 30 1HD LYS 30 -11.189 -1.057 -8.977 214 HD3 LYS 30 2HD LYS 30 -12.233 -2.363 -8.455 215 HE2 LYS 30 1HE LYS 30 -13.597 -0.681 -7.133 216 HE3 LYS 30 2HE LYS 30 -12.596 0.598 -7.792 217 HZ1 LYS 30 1HZ LYS 30 -13.625 -1.156 -9.783 218 HZ2 LYS 30 2HZ LYS 30 -14.799 -0.387 -8.949 219 HZ3 LYS 30 3HZ LYS 30 -13.648 0.475 -9.722 220 HA PRO 31 HA PRO 31 -6.647 -5.582 -5.392 221 HB2 PRO 31 1HB PRO 31 -8.135 -7.748 -6.141 222 HB3 PRO 31 2HB PRO 31 -8.104 -7.128 -4.503 223 HG2 PRO 31 1HG PRO 31 -10.226 -6.864 -6.543 224 HG3 PRO 31 2HG PRO 31 -10.336 -6.636 -4.809 225 HD2 PRO 31 1HD PRO 31 -10.225 -4.580 -6.807 226 HD3 PRO 31 2HD PRO 31 -10.219 -4.354 -5.069 227 H GLY 32 H GLY 32 -4.962 -6.095 -6.649 228 HA2 GLY 32 1HA GLY 32 -4.095 -7.030 -8.605 229 HA3 GLY 32 2HA GLY 32 -5.587 -6.679 -9.455 230 H SER 33 H SER 33 -4.526 -4.088 -7.396 231 HA SER 33 HA SER 33 -3.495 -2.739 -9.766 232 HB2 SER 33 1HB SER 33 -5.284 -1.880 -7.530 233 HB3 SER 33 2HB SER 33 -4.110 -0.691 -8.060 234 HG SER 33 HG SER 33 -6.298 -1.843 -9.486 235 H THR 34 H THR 34 -1.267 -2.793 -9.669 236 HA THR 34 HA THR 34 0.170 -3.063 -7.269 237 HB THR 34 HB THR 34 0.895 -2.212 -10.117 238 HG1 THR 34 HG1 THR 34 0.205 -4.414 -9.827 239 HG21 THR 34 1HG2 THR 34 2.560 -1.599 -8.091 240 HG22 THR 34 2HG2 THR 34 2.883 -3.348 -8.142 241 HG23 THR 34 3HG2 THR 34 3.179 -2.346 -9.583 242 H ILE 35 H ILE 35 0.649 -1.672 -5.697 243 HA ILE 35 HA ILE 35 0.302 1.170 -6.327 244 HB ILE 35 HB ILE 35 0.104 -0.371 -3.742 245 HG12 ILE 35 1HG1 ILE 35 -2.172 1.232 -4.254 246 HG13 ILE 35 2HG1 ILE 35 -1.796 0.425 -5.763 247 HG21 ILE 35 1HG2 ILE 35 -0.747 2.223 -3.245 248 HG22 ILE 35 2HG2 ILE 35 0.771 1.475 -2.693 249 HG23 ILE 35 3HG2 ILE 35 0.746 2.434 -4.192 250 HD11 ILE 35 1HD1 ILE 35 -1.559 -1.747 -4.357 251 HD12 ILE 35 2HD1 ILE 35 -2.361 -0.835 -3.056 252 HD13 ILE 35 3HD1 ILE 35 -3.202 -1.107 -4.601 253 H ARG 36 H ARG 36 2.235 1.979 -7.008 254 HA ARG 36 HA ARG 36 4.626 0.952 -5.834 255 HB2 ARG 36 1HB ARG 36 4.303 3.274 -7.799 256 HB3 ARG 36 2HB ARG 36 5.780 2.390 -7.470 257 HG2 ARG 36 1HG ARG 36 5.160 0.588 -8.769 258 HG3 ARG 36 2HG ARG 36 3.476 0.684 -8.291 259 HD2 ARG 36 1HD ARG 36 4.408 2.990 -9.932 260 HD3 ARG 36 2HD ARG 36 4.459 1.450 -10.766 261 HE ARG 36 HE ARG 36 1.955 1.548 -9.464 262 HH11 ARG 36 1HH1 ARG 36 3.652 3.363 -11.956 263 HH12 ARG 36 2HH1 ARG 36 2.202 3.850 -12.769 264 HH21 ARG 36 1HH2 ARG 36 0.041 2.190 -10.536 265 HH22 ARG 36 2HH2 ARG 36 0.134 3.178 -11.955 266 H VAL 37 H VAL 37 5.190 1.708 -3.808 267 HA VAL 37 HA VAL 37 4.528 4.482 -3.170 268 HB VAL 37 HB VAL 37 5.476 2.244 -1.373 269 HG11 VAL 37 1HG1 VAL 37 5.747 4.716 -0.683 270 HG12 VAL 37 2HG1 VAL 37 3.972 4.730 -0.547 271 HG13 VAL 37 3HG1 VAL 37 4.933 3.614 0.454 272 HG21 VAL 37 1HG2 VAL 37 2.684 3.117 -2.151 273 HG22 VAL 37 2HG2 VAL 37 3.403 1.490 -2.230 274 HG23 VAL 37 3HG2 VAL 37 3.025 2.220 -0.651 275 H GLY 38 H GLY 38 6.074 6.035 -3.181 276 HA2 GLY 38 1HA GLY 38 8.858 5.253 -2.721 277 HA3 GLY 38 2HA GLY 38 8.465 6.005 -4.254 278 H ARG 39 H ARG 39 9.803 7.856 -3.727 279 HA ARG 39 HA ARG 39 8.773 9.440 -1.528 280 HB2 ARG 39 1HB ARG 39 11.186 9.103 -1.433 281 HB3 ARG 39 2HB ARG 39 11.379 9.550 -3.117 282 HG2 ARG 39 1HG ARG 39 10.863 11.863 -2.676 283 HG3 ARG 39 2HG ARG 39 10.224 11.501 -1.085 284 HD2 ARG 39 1HD ARG 39 12.285 11.947 -0.238 285 HD3 ARG 39 2HD ARG 39 12.860 10.483 -1.010 286 HE ARG 39 HE ARG 39 12.771 12.633 -2.933 287 HH11 ARG 39 1HH1 ARG 39 14.633 11.464 -0.186 288 HH12 ARG 39 2HH1 ARG 39 16.107 12.211 -0.704 289 HH21 ARG 39 1HH2 ARG 39 14.715 13.619 -3.617 290 HH22 ARG 39 2HH2 ARG 39 16.154 13.446 -2.669 291 H ILE 40 H ILE 40 9.466 9.431 -5.056 292 HA ILE 40 HA ILE 40 8.235 12.076 -5.271 293 HB ILE 40 HB ILE 40 9.123 11.914 -7.633 294 HG12 ILE 40 1HG1 ILE 40 10.889 9.715 -6.553 295 HG13 ILE 40 2HG1 ILE 40 9.414 9.363 -7.430 296 HG21 ILE 40 1HG2 ILE 40 10.782 12.141 -5.148 297 HG22 ILE 40 2HG2 ILE 40 11.572 12.224 -6.741 298 HG23 ILE 40 3HG2 ILE 40 10.296 13.390 -6.319 299 HD11 ILE 40 1HD1 ILE 40 11.776 11.002 -8.454 300 HD12 ILE 40 2HD1 ILE 40 11.281 9.383 -9.006 301 HD13 ILE 40 3HD1 ILE 40 10.245 10.792 -9.337 302 H VAL 41 H VAL 41 6.312 12.408 -6.370 303 HA VAL 41 HA VAL 41 4.587 10.194 -6.561 304 HB VAL 41 HB VAL 41 3.120 11.937 -7.719 305 HG11 VAL 41 1HG1 VAL 41 4.240 12.301 -4.930 306 HG12 VAL 41 2HG1 VAL 41 2.864 13.246 -5.547 307 HG13 VAL 41 3HG1 VAL 41 2.743 11.475 -5.424 308 HG21 VAL 41 1HG2 VAL 41 3.947 13.924 -8.316 309 HG22 VAL 41 2HG2 VAL 41 4.650 14.180 -6.701 310 HG23 VAL 41 3HG2 VAL 41 5.570 13.296 -7.942 311 H ARG 42 H ARG 42 6.663 11.953 -8.879 312 HA ARG 42 HA ARG 42 5.649 11.287 -11.226 313 HB2 ARG 42 1HB ARG 42 8.536 11.255 -10.262 314 HB3 ARG 42 2HB ARG 42 8.162 10.925 -11.942 315 HG2 ARG 42 1HG ARG 42 6.643 13.206 -11.452 316 HG3 ARG 42 2HG ARG 42 8.055 13.491 -10.454 317 HD2 ARG 42 1HD ARG 42 9.521 13.544 -12.287 318 HD3 ARG 42 2HD ARG 42 8.513 12.499 -13.267 319 HE ARG 42 HE ARG 42 8.306 15.406 -13.041 320 HH11 ARG 42 1HH1 ARG 42 6.541 12.462 -13.814 321 HH12 ARG 42 2HH1 ARG 42 5.365 13.272 -14.794 322 HH21 ARG 42 1HH2 ARG 42 6.755 16.476 -14.334 323 HH22 ARG 42 2HH2 ARG 42 5.488 15.571 -15.092 324 H GLY 43 H GLY 43 4.701 9.349 -11.819 325 HA2 GLY 43 1HA GLY 43 4.451 7.157 -12.238 326 HA3 GLY 43 2HA GLY 43 6.199 7.049 -12.298 327 H ASN 44 H ASN 44 3.602 7.512 -9.785 328 HA ASN 44 HA ASN 44 4.394 5.154 -8.471 329 HB2 ASN 44 1HB ASN 44 5.239 7.851 -7.338 330 HB3 ASN 44 2HB ASN 44 4.888 6.520 -6.254 331 HD21 ASN 44 1HD2 ASN 44 7.319 8.086 -7.577 332 HD22 ASN 44 2HD2 ASN 44 8.501 6.841 -7.811 333 H GLU 45 H GLU 45 2.573 4.457 -7.276 334 HA GLU 45 HA GLU 45 0.231 5.932 -7.491 335 HB2 GLU 45 1HB GLU 45 1.063 3.427 -6.028 336 HB3 GLU 45 2HB GLU 45 -0.497 4.133 -5.656 337 HG2 GLU 45 1HG GLU 45 0.483 3.243 -8.407 338 HG3 GLU 45 2HG GLU 45 -0.761 2.471 -7.445 339 H ILE 46 H ILE 46 2.620 5.509 -4.839 340 HA ILE 46 HA ILE 46 1.349 7.773 -3.498 341 HB ILE 46 HB ILE 46 2.200 5.229 -2.111 342 HG12 ILE 46 1HG1 ILE 46 -0.607 6.315 -2.445 343 HG13 ILE 46 2HG1 ILE 46 0.081 5.086 -3.488 344 HG21 ILE 46 1HG2 ILE 46 2.609 7.237 -0.773 345 HG22 ILE 46 2HG2 ILE 46 0.920 7.747 -1.012 346 HG23 ILE 46 3HG2 ILE 46 1.281 6.262 -0.098 347 HD11 ILE 46 1HD1 ILE 46 0.678 3.899 -1.166 348 HD12 ILE 46 2HD1 ILE 46 -0.663 4.909 -0.574 349 HD13 ILE 46 3HD1 ILE 46 -0.942 3.740 -1.887 350 H ALA 47 H ALA 47 2.796 9.277 -2.731 351 HA ALA 47 HA ALA 47 5.604 8.472 -2.620 352 HB1 ALA 47 1HB ALA 47 5.950 9.510 -4.597 353 HB2 ALA 47 2HB ALA 47 4.338 10.263 -4.580 354 HB3 ALA 47 3HB ALA 47 5.686 11.027 -3.705 355 H ILE 48 H ILE 48 6.228 8.889 -0.564 356 HA ILE 48 HA ILE 48 4.915 11.123 0.798 357 HB ILE 48 HB ILE 48 6.501 8.825 1.949 358 HG12 ILE 48 1HG1 ILE 48 3.597 8.923 2.421 359 HG13 ILE 48 2HG1 ILE 48 4.030 8.636 0.747 360 HG21 ILE 48 1HG2 ILE 48 4.616 10.668 3.416 361 HG22 ILE 48 2HG2 ILE 48 5.832 9.550 4.077 362 HG23 ILE 48 3HG2 ILE 48 6.349 11.030 3.235 363 HD11 ILE 48 1HD1 ILE 48 5.291 7.084 3.047 364 HD12 ILE 48 2HD1 ILE 48 3.816 6.545 2.208 365 HD13 ILE 48 3HD1 ILE 48 5.346 6.694 1.311 366 H LYS 49 H LYS 49 6.011 12.993 0.422 367 HA LYS 49 HA LYS 49 8.804 12.999 -0.069 368 HB2 LYS 49 1HB LYS 49 6.747 15.170 0.380 369 HB3 LYS 49 2HB LYS 49 8.443 15.524 0.121 370 HG2 LYS 49 1HG LYS 49 7.761 13.642 -1.899 371 HG3 LYS 49 2HG LYS 49 6.403 14.747 -1.828 372 HD2 LYS 49 1HD LYS 49 7.596 16.367 -2.874 373 HD3 LYS 49 2HD LYS 49 8.849 16.291 -1.651 374 HE2 LYS 49 1HE LYS 49 9.156 13.940 -3.257 375 HE3 LYS 49 2HE LYS 49 8.902 15.268 -4.373 376 HZ1 LYS 49 1HZ LYS 49 10.757 15.631 -2.162 377 HZ2 LYS 49 2HZ LYS 49 11.239 14.771 -3.464 378 HZ3 LYS 49 3HZ LYS 49 10.765 16.324 -3.641 379 H ASP 50 H ASP 50 9.029 11.570 2.042 380 HA ASP 50 HA ASP 50 9.063 13.205 4.400 381 HB2 ASP 50 1HB ASP 50 8.384 11.040 4.954 382 HB3 ASP 50 2HB ASP 50 9.403 10.294 3.739 383 H ALA 51 H ALA 51 11.452 10.751 3.173 384 HA ALA 51 HA ALA 51 13.503 12.248 2.350 385 HB1 ALA 51 1HB ALA 51 14.720 12.135 4.843 386 HB2 ALA 51 2HB ALA 51 14.056 13.597 4.077 387 HB3 ALA 51 3HB ALA 51 13.067 12.668 5.229 388 H GLY 52 H GLY 52 13.073 9.916 5.113 389 HA2 GLY 52 1HA GLY 52 15.221 8.268 4.485 390 HA3 GLY 52 2HA GLY 52 13.792 7.806 5.389 391 H ILE 53 H ILE 53 12.218 8.762 2.781 392 HA ILE 53 HA ILE 53 12.307 6.115 1.587 393 HB ILE 53 HB ILE 53 10.381 8.426 1.337 394 HG12 ILE 53 1HG1 ILE 53 9.904 5.702 2.559 395 HG13 ILE 53 2HG1 ILE 53 10.497 7.058 3.497 396 HG21 ILE 53 1HG2 ILE 53 8.945 6.840 0.082 397 HG22 ILE 53 2HG2 ILE 53 10.437 7.280 -0.783 398 HG23 ILE 53 3HG2 ILE 53 10.309 5.697 0.022 399 HD11 ILE 53 1HD1 ILE 53 7.794 6.483 2.776 400 HD12 ILE 53 2HD1 ILE 53 8.404 7.895 3.673 401 HD13 ILE 53 3HD1 ILE 53 8.258 7.962 1.900 402 H SER 54 H SER 54 12.284 5.905 -0.818 403 HA SER 54 HA SER 54 13.771 8.099 -2.031 404 HB2 SER 54 1HB SER 54 14.505 5.247 -1.744 405 HB3 SER 54 2HB SER 54 14.626 5.823 -3.395 406 HG SER 54 HG SER 54 16.098 7.425 -2.763 407 H THR 55 H THR 55 13.740 7.795 -4.585 408 HA THR 55 HA THR 55 11.177 8.053 -5.486 409 HB THR 55 HB THR 55 12.280 7.555 -7.751 410 HG1 THR 55 HG1 THR 55 14.383 6.724 -7.604 411 HG21 THR 55 1HG2 THR 55 14.410 9.147 -6.494 412 HG22 THR 55 2HG2 THR 55 13.208 9.648 -7.708 413 HG23 THR 55 3HG2 THR 55 12.799 9.699 -5.976 414 H LYS 56 H LYS 56 13.186 5.059 -5.930 415 HA LYS 56 HA LYS 56 10.636 3.614 -6.101 416 HB2 LYS 56 1HB LYS 56 13.207 3.406 -7.576 417 HB3 LYS 56 2HB LYS 56 12.440 1.889 -7.151 418 HG2 LYS 56 1HG LYS 56 11.035 2.165 -8.908 419 HG3 LYS 56 2HG LYS 56 10.319 3.528 -8.071 420 HD2 LYS 56 1HD LYS 56 12.611 4.688 -9.092 421 HD3 LYS 56 2HD LYS 56 12.260 3.501 -10.332 422 HE2 LYS 56 1HE LYS 56 9.839 4.944 -9.435 423 HE3 LYS 56 2HE LYS 56 11.059 6.022 -10.083 424 HZ1 LYS 56 1HZ LYS 56 11.051 3.957 -11.813 425 HZ2 LYS 56 2HZ LYS 56 9.468 4.106 -11.437 426 HZ3 LYS 56 3HZ LYS 56 10.289 5.383 -12.038 427 H HIS 57 H HIS 57 10.746 3.882 -3.639 428 HA HIS 57 HA HIS 57 12.757 2.536 -2.225 429 HB2 HIS 57 1HB HIS 57 11.307 4.302 -1.289 430 HB3 HIS 57 2HB HIS 57 9.924 3.231 -1.399 431 HD2 HIS 57 HD2 HIS 57 10.988 0.547 0.037 432 HE1 HIS 57 HE1 HIS 57 12.258 3.074 3.217 433 HE2 HIS 57 HE2 HIS 57 11.652 0.665 2.494 434 H LEU 58 H LEU 58 9.270 1.593 -2.684 435 HA LEU 58 HA LEU 58 10.128 -1.122 -3.194 436 HB2 LEU 58 1HB LEU 58 8.555 -1.988 -1.439 437 HB3 LEU 58 2HB LEU 58 10.069 -1.310 -0.873 438 HG LEU 58 HG LEU 58 9.011 0.656 -0.052 439 HD11 LEU 58 1HD1 LEU 58 6.654 -0.230 -1.699 440 HD12 LEU 58 2HD1 LEU 58 6.447 0.872 -0.317 441 HD13 LEU 58 3HD1 LEU 58 7.496 1.338 -1.677 442 HD21 LEU 58 1HD2 LEU 58 8.518 -0.559 1.740 443 HD22 LEU 58 2HD2 LEU 58 6.870 -0.732 1.090 444 HD23 LEU 58 3HD2 LEU 58 8.097 -1.975 0.746 445 H ARG 59 H ARG 59 8.003 -2.507 -3.586 446 HA ARG 59 HA ARG 59 6.029 -0.756 -4.792 447 HB2 ARG 59 1HB ARG 59 7.141 -1.375 -6.763 448 HB3 ARG 59 2HB ARG 59 7.674 -2.911 -6.109 449 HG2 ARG 59 1HG ARG 59 5.381 -3.826 -6.285 450 HG3 ARG 59 2HG ARG 59 4.774 -2.274 -6.826 451 HD2 ARG 59 1HD ARG 59 6.913 -3.869 -8.316 452 HD3 ARG 59 2HD ARG 59 5.205 -3.937 -8.700 453 HE ARG 59 HE ARG 59 5.944 -1.193 -8.665 454 HH11 ARG 59 1HH1 ARG 59 6.639 -4.090 -10.537 455 HH12 ARG 59 2HH1 ARG 59 6.970 -3.220 -11.998 456 HH21 ARG 59 1HH2 ARG 59 6.380 -0.045 -10.592 457 HH22 ARG 59 2HH2 ARG 59 6.822 -0.904 -12.030 458 H ILE 60 H ILE 60 3.897 -1.443 -4.444 459 HA ILE 60 HA ILE 60 3.633 -4.009 -3.047 460 HB ILE 60 HB ILE 60 2.026 -1.461 -2.930 461 HG12 ILE 60 1HG1 ILE 60 3.094 -2.801 -0.505 462 HG13 ILE 60 2HG1 ILE 60 4.287 -2.099 -1.579 463 HG21 ILE 60 1HG2 ILE 60 1.378 -3.984 -1.404 464 HG22 ILE 60 2HG2 ILE 60 0.409 -2.501 -1.578 465 HG23 ILE 60 3HG2 ILE 60 0.624 -3.591 -2.968 466 HD11 ILE 60 1HD1 ILE 60 2.417 -0.761 0.222 467 HD12 ILE 60 2HD1 ILE 60 3.825 -0.091 -0.637 468 HD13 ILE 60 3HD1 ILE 60 2.239 -0.156 -1.442 469 H GLU 61 H GLU 61 2.362 -5.616 -3.890 470 HA GLU 61 HA GLU 61 0.556 -4.903 -6.018 471 HB2 GLU 61 1HB GLU 61 1.476 -6.735 -7.494 472 HB3 GLU 61 2HB GLU 61 2.548 -5.362 -7.305 473 HG2 GLU 61 1HG GLU 61 4.128 -6.920 -6.762 474 HG3 GLU 61 2HG GLU 61 3.360 -6.930 -5.187 475 H SER 62 H SER 62 -0.614 -7.105 -6.772 476 HA SER 62 HA SER 62 -1.095 -8.579 -4.300 477 HB2 SER 62 1HB SER 62 -3.205 -7.770 -4.564 478 HB3 SER 62 2HB SER 62 -2.907 -7.280 -6.220 479 HG SER 62 HG SER 62 -4.329 -8.897 -6.552 480 H ASP 63 H ASP 63 -1.931 -10.892 -4.698 481 HA ASP 63 HA ASP 63 -0.643 -11.933 -7.099 482 HB2 ASP 63 1HB ASP 63 0.591 -12.564 -5.054 483 HB3 ASP 63 2HB ASP 63 -0.880 -13.159 -4.312 484 H SER 64 H SER 64 -2.572 -12.123 -8.369 485 HA SER 64 HA SER 64 -4.400 -13.034 -9.107 486 HB2 SER 64 1HB SER 64 -3.265 -15.088 -7.524 487 HB3 SER 64 2HB SER 64 -4.958 -15.062 -7.070 488 HG SER 64 HG SER 64 -5.151 -14.895 -9.644 489 H GLY 65 H GLY 65 -4.844 -13.676 -5.551 490 HA2 GLY 65 1HA GLY 65 -6.930 -11.603 -5.485 491 HA3 GLY 65 2HA GLY 65 -7.339 -13.244 -5.029 492 H ASN 66 H ASN 66 -4.142 -11.708 -4.455 493 HA ASN 66 HA ASN 66 -4.853 -11.405 -1.667 494 HB2 ASN 66 1HB ASN 66 -2.570 -13.102 -2.773 495 HB3 ASN 66 2HB ASN 66 -2.495 -12.441 -1.151 496 HD21 ASN 66 1HD2 ASN 66 -3.957 -13.100 0.425 497 HD22 ASN 66 2HD2 ASN 66 -4.875 -14.565 0.303 498 H TRP 67 H TRP 67 -2.987 -10.143 -0.499 499 HA TRP 67 HA TRP 67 -1.796 -8.280 -2.433 500 HB2 TRP 67 1HB TRP 67 -2.702 -7.895 0.420 501 HB3 TRP 67 2HB TRP 67 -1.707 -6.736 -0.437 502 HD1 TRP 67 HD1 TRP 67 -5.317 -7.900 -0.163 503 HE1 TRP 67 HE1 TRP 67 -6.947 -6.416 -1.614 504 HE3 TRP 67 HE3 TRP 67 -1.663 -5.400 -2.664 505 HZ2 TRP 67 HZ2 TRP 67 -6.535 -4.409 -3.600 506 HZ3 TRP 67 HZ3 TRP 67 -2.363 -3.694 -4.342 507 HH2 TRP 67 HH2 TRP 67 -4.704 -3.184 -4.826 508 H VAL 68 H VAL 68 0.442 -7.993 -2.400 509 HA VAL 68 HA VAL 68 1.907 -9.287 -0.228 510 HB VAL 68 HB VAL 68 3.161 -10.633 -1.583 511 HG11 VAL 68 1HG1 VAL 68 0.773 -11.356 -1.595 512 HG12 VAL 68 2HG1 VAL 68 0.567 -10.530 -3.158 513 HG13 VAL 68 3HG1 VAL 68 1.688 -11.906 -3.019 514 HG21 VAL 68 1HG2 VAL 68 2.712 -8.528 -3.617 515 HG22 VAL 68 2HG2 VAL 68 4.167 -9.486 -3.253 516 HG23 VAL 68 3HG2 VAL 68 2.869 -10.184 -4.251 517 H ILE 69 H ILE 69 4.015 -8.370 0.140 518 HA ILE 69 HA ILE 69 4.385 -5.814 -1.261 519 HB ILE 69 HB ILE 69 3.571 -5.480 1.005 520 HG12 ILE 69 1HG1 ILE 69 6.416 -4.678 1.289 521 HG13 ILE 69 2HG1 ILE 69 5.627 -4.185 -0.196 522 HG21 ILE 69 1HG2 ILE 69 5.282 -6.089 2.874 523 HG22 ILE 69 2HG2 ILE 69 4.146 -7.321 2.276 524 HG23 ILE 69 3HG2 ILE 69 5.835 -7.321 1.714 525 HD11 ILE 69 1HD1 ILE 69 5.142 -3.285 2.594 526 HD12 ILE 69 2HD1 ILE 69 4.882 -2.423 1.059 527 HD13 ILE 69 3HD1 ILE 69 3.666 -3.583 1.645 528 H GLN 70 H GLN 70 6.558 -5.193 -1.737 529 HA GLN 70 HA GLN 70 8.538 -7.240 -1.204 530 HB2 GLN 70 1HB GLN 70 7.703 -7.800 -3.431 531 HB3 GLN 70 2HB GLN 70 7.863 -6.138 -3.964 532 HG2 GLN 70 1HG GLN 70 10.341 -6.267 -3.613 533 HG3 GLN 70 2HG GLN 70 10.177 -7.932 -3.089 534 HE21 GLN 70 1HE2 GLN 70 11.290 -8.911 -4.671 535 HE22 GLN 70 2HE2 GLN 70 10.840 -8.942 -6.344 536 H ASP 71 H ASP 71 10.486 -6.361 -0.576 537 HA ASP 71 HA ASP 71 10.601 -3.505 -0.516 538 HB2 ASP 71 1HB ASP 71 11.356 -4.558 1.482 539 HB3 ASP 71 2HB ASP 71 12.266 -5.774 0.609 540 H LEU 72 H LEU 72 11.268 -2.563 -2.472 541 HA LEU 72 HA LEU 72 12.982 -3.946 -4.269 542 HB2 LEU 72 1HB LEU 72 11.860 -1.150 -4.171 543 HB3 LEU 72 2HB LEU 72 12.939 -1.691 -5.442 544 HG LEU 72 HG LEU 72 11.372 -3.171 -6.340 545 HD11 LEU 72 1HD1 LEU 72 9.261 -3.819 -5.178 546 HD12 LEU 72 2HD1 LEU 72 10.743 -4.401 -4.381 547 HD13 LEU 72 3HD1 LEU 72 9.867 -3.001 -3.718 548 HD21 LEU 72 1HD2 LEU 72 9.296 -1.867 -6.624 549 HD22 LEU 72 2HD2 LEU 72 9.805 -0.796 -5.296 550 HD23 LEU 72 3HD2 LEU 72 10.762 -0.871 -6.796 551 H GLY 73 H GLY 73 14.471 -4.245 -2.152 552 HA2 GLY 73 1HA GLY 73 16.301 -3.575 -0.954 553 HA3 GLY 73 2HA GLY 73 16.933 -3.404 -2.580 554 H SER 74 H SER 74 14.461 -1.438 -0.788 555 HA SER 74 HA SER 74 15.262 0.951 -1.788 556 HB2 SER 74 1HB SER 74 14.165 1.927 0.302 557 HB3 SER 74 2HB SER 74 13.177 0.815 -0.624 558 HG SER 74 HG SER 74 14.532 -0.698 1.136 559 H SER 75 H SER 75 16.343 2.831 -0.591 560 HA SER 75 HA SER 75 18.839 1.883 0.397 561 HB2 SER 75 1HB SER 75 17.703 4.435 -0.593 562 HB3 SER 75 2HB SER 75 18.868 4.645 0.698 563 HG SER 75 HG SER 75 19.392 4.207 -1.880 564 H ASN 76 H ASN 76 17.462 0.831 2.290 565 HA ASN 76 HA ASN 76 18.183 1.977 4.609 566 HB2 ASN 76 1HB ASN 76 15.911 3.384 3.547 567 HB3 ASN 76 2HB ASN 76 15.315 2.430 4.890 568 HD21 ASN 76 1HD2 ASN 76 16.277 5.366 4.165 569 HD22 ASN 76 2HD2 ASN 76 17.067 5.888 5.616 570 H GLY 77 H GLY 77 15.291 0.476 2.995 571 HA2 GLY 77 1HA GLY 77 14.941 -1.881 3.189 572 HA3 GLY 77 2HA GLY 77 15.549 -1.822 4.832 573 H THR 78 H THR 78 12.949 -2.873 3.914 574 HA THR 78 HA THR 78 11.127 -0.918 5.145 575 HB THR 78 HB THR 78 10.422 -3.347 3.431 576 HG1 THR 78 HG1 THR 78 10.837 -1.971 1.689 577 HG21 THR 78 1HG2 THR 78 9.008 -0.655 3.702 578 HG22 THR 78 2HG2 THR 78 8.363 -2.166 3.019 579 HG23 THR 78 3HG2 THR 78 8.623 -2.022 4.774 580 H LEU 79 H LEU 79 9.671 -1.558 6.780 581 HA LEU 79 HA LEU 79 10.430 -4.097 8.048 582 HB2 LEU 79 1HB LEU 79 10.073 -1.355 9.190 583 HB3 LEU 79 2HB LEU 79 9.673 -2.750 10.172 584 HG LEU 79 HG LEU 79 12.371 -2.333 8.859 585 HD11 LEU 79 1HD1 LEU 79 13.099 -1.823 11.250 586 HD12 LEU 79 2HD1 LEU 79 12.202 -0.553 10.384 587 HD13 LEU 79 3HD1 LEU 79 11.374 -1.555 11.600 588 HD21 LEU 79 1HD2 LEU 79 13.065 -4.270 9.781 589 HD22 LEU 79 2HD2 LEU 79 12.058 -4.071 11.236 590 HD23 LEU 79 3HD2 LEU 79 11.332 -4.669 9.725 591 H LEU 80 H LEU 80 8.769 -5.442 8.709 592 HA LEU 80 HA LEU 80 6.065 -4.405 8.216 593 HB2 LEU 80 1HB LEU 80 7.012 -6.007 6.487 594 HB3 LEU 80 2HB LEU 80 6.959 -7.242 7.729 595 HG LEU 80 HG LEU 80 4.565 -7.105 7.886 596 HD11 LEU 80 1HD1 LEU 80 4.929 -4.579 6.342 597 HD12 LEU 80 2HD1 LEU 80 3.447 -5.526 6.067 598 HD13 LEU 80 3HD1 LEU 80 3.845 -4.951 7.704 599 HD21 LEU 80 1HD2 LEU 80 3.909 -7.863 5.682 600 HD22 LEU 80 2HD2 LEU 80 5.351 -7.110 4.959 601 HD23 LEU 80 3HD2 LEU 80 5.530 -8.483 6.077 602 H ASN 81 H ASN 81 5.082 -4.133 10.145 603 HA ASN 81 HA ASN 81 4.363 -4.511 12.153 604 HB2 ASN 81 1HB ASN 81 5.028 -7.372 11.351 605 HB3 ASN 81 2HB ASN 81 4.448 -7.033 12.969 606 HD21 ASN 81 1HD2 ASN 81 3.440 -8.217 10.240 607 HD22 ASN 81 2HD2 ASN 81 1.816 -7.625 10.115 608 H SER 82 H SER 82 6.728 -7.241 12.301 609 HA SER 82 HA SER 82 8.564 -5.572 13.774 610 HB2 SER 82 1HB SER 82 6.889 -7.733 14.955 611 HB3 SER 82 2HB SER 82 8.592 -7.832 15.356 612 HG SER 82 HG SER 82 6.669 -5.884 16.085 613 H ASN 83 H ASN 83 9.306 -6.184 11.364 614 HA ASN 83 HA ASN 83 11.435 -7.924 11.664 615 HB2 ASN 83 1HB ASN 83 9.179 -9.422 11.241 616 HB3 ASN 83 2HB ASN 83 9.604 -9.084 9.574 617 HD21 ASN 83 1HD2 ASN 83 11.166 -10.190 8.616 618 HD22 ASN 83 2HD2 ASN 83 12.238 -11.319 9.375 619 H ALA 84 H ALA 84 12.887 -7.627 9.843 620 HA ALA 84 HA ALA 84 12.103 -5.479 8.079 621 HB1 ALA 84 1HB ALA 84 14.528 -6.538 9.240 622 HB2 ALA 84 2HB ALA 84 14.701 -6.461 7.470 623 HB3 ALA 84 3HB ALA 84 14.274 -4.996 8.387 624 H LEU 85 H LEU 85 11.284 -5.772 6.069 625 HA LEU 85 HA LEU 85 10.864 -8.360 5.062 626 HB2 LEU 85 1HB LEU 85 10.647 -5.641 3.764 627 HB3 LEU 85 2HB LEU 85 10.096 -7.136 3.035 628 HG LEU 85 HG LEU 85 9.058 -6.030 5.659 629 HD11 LEU 85 1HD1 LEU 85 8.607 -4.947 3.171 630 HD12 LEU 85 2HD1 LEU 85 7.226 -6.052 3.372 631 HD13 LEU 85 3HD1 LEU 85 7.541 -4.790 4.587 632 HD21 LEU 85 1HD2 LEU 85 8.901 -8.493 5.399 633 HD22 LEU 85 2HD2 LEU 85 7.316 -7.686 5.486 634 HD23 LEU 85 3HD2 LEU 85 7.945 -8.245 3.918 635 H ASP 86 H ASP 86 11.590 -9.008 2.760 636 HA ASP 86 HA ASP 86 14.422 -8.343 2.544 637 HB2 ASP 86 1HB ASP 86 13.171 -10.868 2.938 638 HB3 ASP 86 2HB ASP 86 13.662 -10.860 1.255 639 HA PRO 87 HA PRO 87 13.357 -7.268 -1.576 640 HB2 PRO 87 1HB PRO 87 15.805 -7.338 -2.790 641 HB3 PRO 87 2HB PRO 87 15.254 -5.986 -1.820 642 HG2 PRO 87 1HG PRO 87 17.219 -8.084 -1.130 643 HG3 PRO 87 2HG PRO 87 16.971 -6.522 -0.376 644 HD2 PRO 87 1HD PRO 87 16.127 -9.069 0.637 645 HD3 PRO 87 2HD PRO 87 15.780 -7.498 1.331 646 H GLU 88 H GLU 88 15.269 -10.157 -1.141 647 HA GLU 88 HA GLU 88 14.320 -11.112 -3.687 648 HB2 GLU 88 1HB GLU 88 16.222 -12.289 -1.618 649 HB3 GLU 88 2HB GLU 88 15.768 -13.128 -3.087 650 HG2 GLU 88 1HG GLU 88 16.499 -10.798 -4.224 651 HG3 GLU 88 2HG GLU 88 17.447 -10.645 -2.758 652 H THR 89 H THR 89 12.663 -10.649 -1.061 653 HA THR 89 HA THR 89 11.247 -13.195 -1.266 654 HB THR 89 HB THR 89 11.899 -11.932 1.435 655 HG1 THR 89 HG1 THR 89 13.884 -12.862 1.135 656 HG21 THR 89 1HG2 THR 89 11.344 -14.839 0.677 657 HG22 THR 89 2HG2 THR 89 11.348 -14.120 2.305 658 HG23 THR 89 3HG2 THR 89 10.044 -13.724 1.160 659 H SER 90 H SER 90 9.045 -13.023 -1.182 660 HA SER 90 HA SER 90 8.070 -10.337 -0.602 661 HB2 SER 90 1HB SER 90 7.941 -11.796 -3.085 662 HB3 SER 90 2HB SER 90 6.310 -11.659 -2.460 663 HG SER 90 HG SER 90 7.762 -9.765 -3.709 664 H VAL 91 H VAL 91 6.463 -10.288 0.944 665 HA VAL 91 HA VAL 91 5.270 -12.876 1.645 666 HB VAL 91 HB VAL 91 5.335 -10.435 3.397 667 HG11 VAL 91 1HG1 VAL 91 4.505 -13.215 3.641 668 HG12 VAL 91 2HG1 VAL 91 5.686 -12.770 4.896 669 HG13 VAL 91 3HG1 VAL 91 4.185 -11.830 4.714 670 HG21 VAL 91 1HG2 VAL 91 7.645 -10.736 2.755 671 HG22 VAL 91 2HG2 VAL 91 7.427 -11.334 4.418 672 HG23 VAL 91 3HG2 VAL 91 7.548 -12.486 3.066 673 H ASN 92 H ASN 92 2.967 -12.684 2.539 674 HA ASN 92 HA ASN 92 1.524 -11.033 0.667 675 HB2 ASN 92 1HB ASN 92 -0.432 -12.422 1.312 676 HB3 ASN 92 2HB ASN 92 0.923 -13.451 0.894 677 HD21 ASN 92 1HD2 ASN 92 2.091 -14.517 2.501 678 HD22 ASN 92 2HD2 ASN 92 1.460 -14.794 4.090 679 H LEU 93 H LEU 93 0.917 -8.996 1.418 680 HA LEU 93 HA LEU 93 1.154 -8.089 3.968 681 HB2 LEU 93 1HB LEU 93 -0.652 -7.261 1.708 682 HB3 LEU 93 2HB LEU 93 -0.615 -6.391 3.229 683 HG LEU 93 HG LEU 93 1.859 -6.860 1.552 684 HD11 LEU 93 1HD1 LEU 93 1.234 -4.205 1.223 685 HD12 LEU 93 2HD1 LEU 93 0.950 -5.496 0.032 686 HD13 LEU 93 3HD1 LEU 93 -0.360 -4.991 1.125 687 HD21 LEU 93 1HD2 LEU 93 1.392 -4.668 3.569 688 HD22 LEU 93 2HD2 LEU 93 1.998 -6.273 4.045 689 HD23 LEU 93 3HD2 LEU 93 2.927 -5.275 2.900 690 H GLY 94 H GLY 94 -0.460 -7.546 5.642 691 HA2 GLY 94 1HA GLY 94 -2.792 -9.352 5.632 692 HA3 GLY 94 2HA GLY 94 -1.665 -9.364 6.973 693 H ASP 95 H ASP 95 -4.461 -8.695 7.208 694 HA ASP 95 HA ASP 95 -4.779 -5.911 7.180 695 HB2 ASP 95 1HB ASP 95 -6.804 -7.100 7.115 696 HB3 ASP 95 2HB ASP 95 -6.273 -8.279 8.297 697 H GLY 96 H GLY 96 -3.722 -4.532 8.615 698 HA2 GLY 96 1HA GLY 96 -3.492 -3.725 10.818 699 HA3 GLY 96 2HA GLY 96 -3.519 -5.367 11.429 700 H ASP 97 H ASP 97 -1.667 -4.885 8.498 701 HA ASP 97 HA ASP 97 0.711 -5.445 9.996 702 HB2 ASP 97 1HB ASP 97 0.121 -5.183 7.014 703 HB3 ASP 97 2HB ASP 97 1.727 -5.514 7.633 704 H VAL 98 H VAL 98 2.110 -3.794 10.633 705 HA VAL 98 HA VAL 98 1.680 -1.156 9.487 706 HB VAL 98 HB VAL 98 2.964 -2.266 11.956 707 HG11 VAL 98 1HG1 VAL 98 4.685 -0.810 11.586 708 HG12 VAL 98 2HG1 VAL 98 3.714 0.250 10.537 709 HG13 VAL 98 3HG1 VAL 98 3.522 0.330 12.304 710 HG21 VAL 98 1HG2 VAL 98 0.727 -1.755 12.347 711 HG22 VAL 98 2HG2 VAL 98 1.560 -0.279 12.889 712 HG23 VAL 98 3HG2 VAL 98 0.763 -0.317 11.298 713 H ILE 99 H ILE 99 2.962 -0.354 7.907 714 HA ILE 99 HA ILE 99 5.466 -1.788 7.404 715 HB ILE 99 HB ILE 99 3.865 -0.001 5.570 716 HG12 ILE 99 1HG1 ILE 99 4.043 -3.020 5.478 717 HG13 ILE 99 2HG1 ILE 99 2.750 -2.173 6.304 718 HG21 ILE 99 1HG2 ILE 99 5.356 -0.484 3.881 719 HG22 ILE 99 2HG2 ILE 99 6.440 -0.344 5.286 720 HG23 ILE 99 3HG2 ILE 99 5.965 -1.951 4.684 721 HD11 ILE 99 1HD1 ILE 99 3.032 -0.948 3.724 722 HD12 ILE 99 2HD1 ILE 99 3.020 -2.712 3.485 723 HD13 ILE 99 3HD1 ILE 99 1.671 -1.919 4.333 724 H LYS 100 H LYS 100 7.066 -0.842 8.594 725 HA LYS 100 HA LYS 100 7.061 2.059 8.806 726 HB2 LYS 100 1HB LYS 100 8.156 -0.198 10.361 727 HB3 LYS 100 2HB LYS 100 9.239 1.172 10.218 728 HG2 LYS 100 1HG LYS 100 7.656 2.679 11.205 729 HG3 LYS 100 2HG LYS 100 6.319 1.572 10.963 730 HD2 LYS 100 1HD LYS 100 8.669 1.106 12.860 731 HD3 LYS 100 2HD LYS 100 7.068 1.626 13.346 732 HE2 LYS 100 1HE LYS 100 6.676 -0.699 11.732 733 HE3 LYS 100 2HE LYS 100 8.022 -1.072 12.791 734 HZ1 LYS 100 1HZ LYS 100 5.286 -0.719 13.439 735 HZ2 LYS 100 2HZ LYS 100 6.469 -1.447 14.298 736 HZ3 LYS 100 3HZ LYS 100 6.256 0.168 14.408 737 H LEU 101 H LEU 101 7.844 3.063 7.014 738 HA LEU 101 HA LEU 101 10.424 2.069 6.029 739 HB2 LEU 101 1HB LEU 101 9.801 2.455 3.791 740 HB3 LEU 101 2HB LEU 101 8.553 1.464 4.519 741 HG LEU 101 HG LEU 101 8.120 4.419 4.486 742 HD11 LEU 101 1HD1 LEU 101 7.558 2.772 2.018 743 HD12 LEU 101 2HD1 LEU 101 7.448 4.536 2.232 744 HD13 LEU 101 3HD1 LEU 101 9.039 3.739 2.213 745 HD21 LEU 101 1HD2 LEU 101 6.595 2.065 5.015 746 HD22 LEU 101 2HD2 LEU 101 6.107 3.772 5.149 747 HD23 LEU 101 3HD2 LEU 101 5.880 2.899 3.614 748 H GLY 102 H GLY 102 11.724 3.814 4.929 749 HA2 GLY 102 1HA GLY 102 12.563 5.907 4.814 750 HA3 GLY 102 2HA GLY 102 11.020 6.545 5.347 751 H GLU 103 H GLU 103 11.658 7.980 6.956 752 HA GLU 103 HA GLU 103 13.527 7.011 8.925 753 HB2 GLU 103 1HB GLU 103 12.238 9.743 8.507 754 HB3 GLU 103 2HB GLU 103 13.385 9.389 9.784 755 HG2 GLU 103 1HG GLU 103 14.976 8.557 7.898 756 HG3 GLU 103 2HG GLU 103 13.871 9.330 6.779 757 H TYR 104 H TYR 104 10.336 8.771 9.005 758 HA TYR 104 HA TYR 104 9.587 7.026 11.246 759 HB2 TYR 104 1HB TYR 104 9.353 10.070 10.840 760 HB3 TYR 104 2HB TYR 104 8.472 9.231 12.101 761 HD1 TYR 104 HD1 TYR 104 9.709 8.157 13.992 762 HD2 TYR 104 HD2 TYR 104 11.694 10.575 11.074 763 HE1 TYR 104 HE1 TYR 104 11.709 8.400 15.543 764 HE2 TYR 104 HE2 TYR 104 13.687 10.810 12.634 765 HH TYR 104 HH TYR 104 13.708 10.526 15.582 766 H THR 105 H THR 105 8.902 6.566 8.522 767 HA THR 105 HA THR 105 6.105 7.482 8.439 768 HB THR 105 HB THR 105 8.164 6.724 6.321 769 HG1 THR 105 HG1 THR 105 7.883 8.953 7.151 770 HG21 THR 105 1HG2 THR 105 6.432 5.852 5.079 771 HG22 THR 105 2HG2 THR 105 5.206 6.443 6.226 772 HG23 THR 105 3HG2 THR 105 5.858 7.534 4.979 773 H SER 106 H SER 106 4.532 6.077 8.881 774 HA SER 106 HA SER 106 5.203 3.265 8.519 775 HB2 SER 106 1HB SER 106 3.577 4.451 10.814 776 HB3 SER 106 2HB SER 106 3.875 2.743 10.559 777 HG SER 106 HG SER 106 5.326 4.003 12.113 778 H ILE 107 H ILE 107 3.578 2.006 7.540 779 HA ILE 107 HA ILE 107 1.067 3.425 6.981 780 HB ILE 107 HB ILE 107 2.590 1.611 5.108 781 HG12 ILE 107 1HG1 ILE 107 2.189 4.603 4.869 782 HG13 ILE 107 2HG1 ILE 107 3.630 3.880 5.556 783 HG21 ILE 107 1HG2 ILE 107 0.525 1.308 4.273 784 HG22 ILE 107 2HG2 ILE 107 -0.140 2.736 5.100 785 HG23 ILE 107 3HG2 ILE 107 0.772 2.930 3.584 786 HD11 ILE 107 1HD1 ILE 107 4.292 4.076 3.332 787 HD12 ILE 107 2HD1 ILE 107 3.597 2.437 3.303 788 HD13 ILE 107 3HD1 ILE 107 2.643 3.819 2.711 789 H LEU 108 H LEU 108 -0.816 2.285 7.332 790 HA LEU 108 HA LEU 108 -0.422 -0.383 8.470 791 HB2 LEU 108 1HB LEU 108 -1.462 0.807 10.098 792 HB3 LEU 108 2HB LEU 108 -2.285 1.869 8.974 793 HG LEU 108 HG LEU 108 -3.833 -0.022 8.403 794 HD11 LEU 108 1HD1 LEU 108 -1.947 -1.514 9.965 795 HD12 LEU 108 2HD1 LEU 108 -3.553 -1.617 10.725 796 HD13 LEU 108 3HD1 LEU 108 -3.342 -2.092 9.022 797 HD21 LEU 108 1HD2 LEU 108 -5.255 0.323 10.258 798 HD22 LEU 108 2HD2 LEU 108 -3.886 0.621 11.355 799 HD23 LEU 108 3HD2 LEU 108 -4.291 1.810 10.095 800 H VAL 109 H VAL 109 -1.535 -2.183 7.681 801 HA VAL 109 HA VAL 109 -2.800 -1.722 5.075 802 HB VAL 109 HB VAL 109 -1.382 -4.108 6.269 803 HG11 VAL 109 1HG1 VAL 109 -3.529 -4.275 4.550 804 HG12 VAL 109 2HG1 VAL 109 -2.143 -4.266 3.433 805 HG13 VAL 109 3HG1 VAL 109 -2.241 -5.492 4.719 806 HG21 VAL 109 1HG2 VAL 109 0.403 -3.058 5.408 807 HG22 VAL 109 2HG2 VAL 109 -0.249 -3.510 3.814 808 HG23 VAL 109 3HG2 VAL 109 -0.604 -1.906 4.498 809 H ASN 110 H ASN 110 -4.983 -1.661 5.181 810 HA ASN 110 HA ASN 110 -6.206 -3.497 7.088 811 HB2 ASN 110 1HB ASN 110 -6.661 -0.618 6.531 812 HB3 ASN 110 2HB ASN 110 -8.144 -1.550 6.483 813 HD21 ASN 110 1HD2 ASN 110 -5.186 -2.033 8.386 814 HD22 ASN 110 2HD2 ASN 110 -5.903 -1.902 9.956 815 H PHE 111 H PHE 111 -7.537 -5.038 6.102 816 HA PHE 111 HA PHE 111 -7.940 -4.829 3.259 817 HB2 PHE 111 1HB PHE 111 -8.551 -6.843 5.493 818 HB3 PHE 111 2HB PHE 111 -9.087 -7.133 3.850 819 HD1 PHE 111 HD1 PHE 111 -6.671 -6.040 2.398 820 HD2 PHE 111 HD2 PHE 111 -7.009 -8.594 5.770 821 HE1 PHE 111 HE1 PHE 111 -4.443 -7.058 1.851 822 HE2 PHE 111 HE2 PHE 111 -4.781 -9.611 5.223 823 HZ PHE 111 HZ PHE 111 -3.524 -8.831 3.270 824 H VAL 112 H VAL 112 -9.615 -3.623 2.490 825 HA VAL 112 HA VAL 112 -12.017 -3.430 4.126 826 HB VAL 112 HB VAL 112 -12.623 -1.664 2.496 827 HG11 VAL 112 1HG1 VAL 112 -11.691 -0.670 4.331 828 HG12 VAL 112 2HG1 VAL 112 -10.172 -1.589 4.200 829 HG13 VAL 112 3HG1 VAL 112 -10.470 -0.204 3.123 830 HG21 VAL 112 1HG2 VAL 112 -11.523 -1.299 0.578 831 HG22 VAL 112 2HG2 VAL 112 -9.935 -1.368 1.379 832 HG23 VAL 112 3HG2 VAL 112 -10.735 -2.870 0.856 833 H SER 113 H SER 113 -13.682 -4.800 3.786 834 HA SER 113 HA SER 113 -13.789 -6.046 1.155 835 HB2 SER 113 1HB SER 113 -13.615 -7.307 3.552 836 HB3 SER 113 2HB SER 113 -15.359 -7.160 3.456 837 HG SER 113 HG SER 113 -13.625 -8.389 1.486 838 H GLY 114 H GLY 114 -15.891 -4.869 3.885 839 HA2 GLY 114 1HA GLY 114 -17.481 -3.090 3.047 840 HA3 GLY 114 2HA GLY 114 -18.003 -4.305 1.897 841 HA PRO 115 HA PRO 115 -20.472 -4.826 5.699 842 HB2 PRO 115 1HB PRO 115 -22.947 -4.364 4.637 843 HB3 PRO 115 2HB PRO 115 -22.006 -3.127 5.446 844 HG2 PRO 115 1HG PRO 115 -22.494 -3.489 2.553 845 HG3 PRO 115 2HG PRO 115 -21.934 -2.062 3.402 846 HD2 PRO 115 1HD PRO 115 -20.341 -3.867 1.842 847 HD3 PRO 115 2HD PRO 115 -19.764 -2.507 2.785 848 H SER 116 H SER 116 -20.106 -6.954 6.038 849 HA SER 116 HA SER 116 -21.909 -8.620 4.496 850 HB2 SER 116 1HB SER 116 -20.036 -10.365 4.363 851 HB3 SER 116 2HB SER 116 -19.877 -8.980 3.301 852 HG SER 116 HG SER 116 -18.216 -9.820 5.345 853 H SER 117 H SER 117 -22.566 -10.575 5.638 854 HA SER 117 HA SER 117 -21.595 -10.729 8.369 855 HB2 SER 117 1HB SER 117 -23.752 -9.418 8.308 856 HB3 SER 117 2HB SER 117 -24.547 -10.812 7.603 857 HG SER 117 HG SER 117 -23.849 -10.319 10.252 858 H GLY 118 H GLY 118 -20.561 -12.716 8.215 859 HA2 GLY 118 1HA GLY 118 -22.179 -15.058 7.888 860 HA3 GLY 118 2HA GLY 118 -21.114 -14.792 6.522 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -27.341 -6.452 11.099 2 HA2 GLY 1 1HA GLY 1 -27.733 -6.099 8.538 3 HA3 GLY 1 2HA GLY 1 -26.484 -5.198 9.374 4 H SER 2 H SER 2 -27.152 -7.363 6.810 5 HA SER 2 HA SER 2 -24.808 -8.834 6.739 6 HB2 SER 2 1HB SER 2 -26.920 -8.041 4.749 7 HB3 SER 2 2HB SER 2 -25.429 -8.710 4.117 8 HG SER 2 HG SER 2 -27.259 -10.249 4.682 9 H SER 3 H SER 3 -22.726 -8.113 6.504 10 HA SER 3 HA SER 3 -22.265 -5.444 5.709 11 HB2 SER 3 1HB SER 3 -20.920 -7.198 7.288 12 HB3 SER 3 2HB SER 3 -20.006 -7.413 5.809 13 HG SER 3 HG SER 3 -19.946 -4.924 5.810 14 H GLY 4 H GLY 4 -21.165 -8.652 4.366 15 HA2 GLY 4 1HA GLY 4 -21.258 -7.433 1.675 16 HA3 GLY 4 2HA GLY 4 -19.893 -8.391 2.212 17 H SER 5 H SER 5 -22.161 -8.725 0.081 18 HA SER 5 HA SER 5 -22.548 -11.514 0.704 19 HB2 SER 5 1HB SER 5 -24.868 -9.714 -0.123 20 HB3 SER 5 2HB SER 5 -24.953 -11.444 0.146 21 HG SER 5 HG SER 5 -24.715 -9.321 2.036 22 H SER 6 H SER 6 -21.872 -12.642 -1.081 23 HA SER 6 HA SER 6 -21.270 -13.093 -3.119 24 HB2 SER 6 1HB SER 6 -23.914 -11.717 -3.506 25 HB3 SER 6 2HB SER 6 -22.968 -12.048 -4.944 26 HG SER 6 HG SER 6 -24.152 -13.874 -3.090 27 H GLY 7 H GLY 7 -19.266 -12.021 -3.312 28 HA2 GLY 7 1HA GLY 7 -19.196 -9.800 -5.137 29 HA3 GLY 7 2HA GLY 7 -18.749 -9.355 -3.502 30 H MET 8 H MET 8 -16.577 -8.889 -4.416 31 HA MET 8 HA MET 8 -15.093 -11.051 -5.479 32 HB2 MET 8 1HB MET 8 -14.891 -8.227 -5.340 33 HB3 MET 8 2HB MET 8 -13.543 -8.784 -4.368 34 HG2 MET 8 1HG MET 8 -12.379 -9.435 -6.213 35 HG3 MET 8 2HG MET 8 -13.729 -10.382 -6.807 36 HE1 MET 8 1HE MET 8 -13.314 -10.143 -8.914 37 HE2 MET 8 2HE MET 8 -14.098 -8.900 -9.917 38 HE3 MET 8 3HE MET 8 -12.371 -8.757 -9.512 39 H VAL 9 H VAL 9 -13.179 -12.058 -4.511 40 HA VAL 9 HA VAL 9 -13.518 -12.347 -1.634 41 HB VAL 9 HB VAL 9 -12.102 -14.316 -1.918 42 HG11 VAL 9 1HG1 VAL 9 -14.068 -14.637 -4.138 43 HG12 VAL 9 2HG1 VAL 9 -13.793 -15.639 -2.693 44 HG13 VAL 9 3HG1 VAL 9 -14.697 -14.111 -2.558 45 HG21 VAL 9 1HG2 VAL 9 -10.677 -14.478 -3.623 46 HG22 VAL 9 2HG2 VAL 9 -12.054 -14.638 -4.739 47 HG23 VAL 9 3HG2 VAL 9 -11.380 -13.029 -4.383 48 H THR 10 H THR 10 -11.817 -10.396 -3.781 49 HA THR 10 HA THR 10 -9.438 -10.310 -2.062 50 HB THR 10 HB THR 10 -9.803 -8.873 -4.716 51 HG1 THR 10 HG1 THR 10 -9.107 -11.660 -4.100 52 HG21 THR 10 1HG2 THR 10 -7.434 -10.356 -3.464 53 HG22 THR 10 2HG2 THR 10 -7.403 -9.362 -4.941 54 HG23 THR 10 3HG2 THR 10 -7.669 -8.595 -3.357 55 HA PRO 11 HA PRO 11 -11.278 -6.754 -0.341 56 HB2 PRO 11 1HB PRO 11 -9.577 -6.521 1.784 57 HB3 PRO 11 2HB PRO 11 -11.016 -7.520 1.814 58 HG2 PRO 11 1HG PRO 11 -8.188 -8.349 1.578 59 HG3 PRO 11 2HG PRO 11 -9.580 -9.312 2.031 60 HD2 PRO 11 1HD PRO 11 -8.243 -9.317 -0.506 61 HD3 PRO 11 2HD PRO 11 -9.703 -10.192 -0.089 62 H SER 12 H SER 12 -10.980 -4.527 -0.353 63 HA SER 12 HA SER 12 -9.017 -3.740 -2.153 64 HB2 SER 12 1HB SER 12 -10.965 -2.336 -0.334 65 HB3 SER 12 2HB SER 12 -9.690 -1.379 -1.063 66 HG SER 12 HG SER 12 -11.863 -2.755 -2.306 67 H LEU 13 H LEU 13 -7.061 -2.494 -1.830 68 HA LEU 13 HA LEU 13 -5.847 -3.028 0.758 69 HB2 LEU 13 1HB LEU 13 -4.840 -3.609 -1.530 70 HB3 LEU 13 2HB LEU 13 -4.503 -1.896 -1.685 71 HG LEU 13 HG LEU 13 -2.805 -3.739 -0.619 72 HD11 LEU 13 1HD1 LEU 13 -2.373 -1.130 0.601 73 HD12 LEU 13 2HD1 LEU 13 -1.428 -1.990 -0.638 74 HD13 LEU 13 3HD1 LEU 13 -2.833 -1.007 -1.114 75 HD21 LEU 13 1HD2 LEU 13 -4.238 -4.103 1.341 76 HD22 LEU 13 2HD2 LEU 13 -2.662 -3.407 1.788 77 HD23 LEU 13 3HD2 LEU 13 -4.112 -2.375 1.751 78 H ARG 14 H ARG 14 -6.119 -1.525 2.316 79 HA ARG 14 HA ARG 14 -6.245 1.234 1.407 80 HB2 ARG 14 1HB ARG 14 -8.264 0.509 2.623 81 HB3 ARG 14 2HB ARG 14 -7.296 -0.091 3.955 82 HG2 ARG 14 1HG ARG 14 -6.380 2.412 4.033 83 HG3 ARG 14 2HG ARG 14 -7.855 2.776 3.161 84 HD2 ARG 14 1HD ARG 14 -8.667 1.049 5.264 85 HD3 ARG 14 2HD ARG 14 -7.501 2.131 5.999 86 HE ARG 14 HE ARG 14 -9.332 3.624 4.334 87 HH11 ARG 14 1HH1 ARG 14 -9.114 1.992 7.444 88 HH12 ARG 14 2HH1 ARG 14 -10.336 2.969 8.187 89 HH21 ARG 14 1HH2 ARG 14 -10.944 4.914 5.314 90 HH22 ARG 14 2HH2 ARG 14 -11.383 4.643 6.967 91 H LEU 15 H LEU 15 -4.336 2.339 1.714 92 HA LEU 15 HA LEU 15 -2.524 1.368 3.776 93 HB2 LEU 15 1HB LEU 15 -2.164 3.283 1.469 94 HB3 LEU 15 2HB LEU 15 -0.921 2.924 2.651 95 HG LEU 15 HG LEU 15 -2.218 0.821 0.900 96 HD11 LEU 15 1HD1 LEU 15 -1.121 2.366 -0.571 97 HD12 LEU 15 2HD1 LEU 15 0.333 2.392 0.455 98 HD13 LEU 15 3HD1 LEU 15 -0.108 0.909 -0.426 99 HD21 LEU 15 1HD2 LEU 15 -0.811 -0.712 1.798 100 HD22 LEU 15 2HD2 LEU 15 0.484 0.474 2.090 101 HD23 LEU 15 3HD2 LEU 15 -0.909 0.387 3.195 102 H VAL 16 H VAL 16 -2.835 2.186 5.778 103 HA VAL 16 HA VAL 16 -3.842 4.922 5.971 104 HB VAL 16 HB VAL 16 -3.604 2.703 8.013 105 HG11 VAL 16 1HG1 VAL 16 -5.021 5.377 8.262 106 HG12 VAL 16 2HG1 VAL 16 -4.889 4.109 9.505 107 HG13 VAL 16 3HG1 VAL 16 -3.437 4.996 8.980 108 HG21 VAL 16 1HG2 VAL 16 -5.553 1.931 7.260 109 HG22 VAL 16 2HG2 VAL 16 -6.301 3.531 7.479 110 HG23 VAL 16 3HG2 VAL 16 -5.502 3.124 5.941 111 H PHE 17 H PHE 17 -2.571 6.590 6.653 112 HA PHE 17 HA PHE 17 0.209 5.960 7.136 113 HB2 PHE 17 1HB PHE 17 -1.560 8.338 6.496 114 HB3 PHE 17 2HB PHE 17 -0.048 8.692 7.310 115 HD1 PHE 17 HD2 PHE 17 2.099 7.687 6.221 116 HD2 PHE 17 HD1 PHE 17 -1.595 8.146 4.183 117 HE1 PHE 17 HE2 PHE 17 3.303 7.604 4.021 118 HE2 PHE 17 HE1 PHE 17 -0.390 8.064 1.982 119 HZ PHE 17 HZ PHE 17 2.044 7.794 1.927 120 H VAL 18 H VAL 18 0.017 4.952 9.257 121 HA VAL 18 HA VAL 18 -1.185 6.365 11.401 122 HB VAL 18 HB VAL 18 0.108 4.629 12.744 123 HG11 VAL 18 1HG1 VAL 18 -2.165 4.183 12.364 124 HG12 VAL 18 2HG1 VAL 18 -1.925 3.951 10.615 125 HG13 VAL 18 3HG1 VAL 18 -1.336 2.726 11.765 126 HG21 VAL 18 1HG2 VAL 18 1.637 3.316 11.782 127 HG22 VAL 18 2HG2 VAL 18 0.521 2.878 10.466 128 HG23 VAL 18 3HG2 VAL 18 1.520 4.346 10.335 129 H LYS 19 H LYS 19 2.038 6.258 9.895 130 HA LYS 19 HA LYS 19 2.816 8.420 11.702 131 HB2 LYS 19 1HB LYS 19 4.510 5.985 11.069 132 HB3 LYS 19 2HB LYS 19 5.095 7.429 11.870 133 HG2 LYS 19 1HG LYS 19 2.715 6.687 13.259 134 HG3 LYS 19 2HG LYS 19 3.593 5.194 12.992 135 HD2 LYS 19 1HD LYS 19 5.624 6.149 14.021 136 HD3 LYS 19 2HD LYS 19 4.850 7.714 14.177 137 HE2 LYS 19 1HE LYS 19 3.950 7.101 16.166 138 HE3 LYS 19 2HE LYS 19 3.114 5.764 15.403 139 HZ1 LYS 19 1HZ LYS 19 5.560 5.757 16.885 140 HZ2 LYS 19 2HZ LYS 19 4.465 4.564 16.675 141 HZ3 LYS 19 3HZ LYS 19 5.600 4.841 15.534 142 H GLY 20 H GLY 20 5.178 9.200 10.705 143 HA2 GLY 20 1HA GLY 20 6.346 9.734 8.758 144 HA3 GLY 20 2HA GLY 20 4.978 9.240 7.780 145 HA PRO 21 HA PRO 21 4.841 13.783 8.169 146 HB2 PRO 21 1HB PRO 21 5.060 14.417 5.520 147 HB3 PRO 21 2HB PRO 21 6.428 14.387 6.614 148 HG2 PRO 21 1HG PRO 21 5.679 12.429 4.530 149 HG3 PRO 21 2HG PRO 21 7.225 12.649 5.325 150 HD2 PRO 21 1HD PRO 21 5.303 10.586 5.850 151 HD3 PRO 21 2HD PRO 21 6.795 10.875 6.723 152 H ARG 22 H ARG 22 3.196 11.427 6.314 153 HA ARG 22 HA ARG 22 0.990 13.275 6.006 154 HB2 ARG 22 1HB ARG 22 1.953 10.866 4.576 155 HB3 ARG 22 2HB ARG 22 0.224 10.830 4.855 156 HG2 ARG 22 1HG ARG 22 -0.134 12.382 3.240 157 HG3 ARG 22 2HG ARG 22 0.983 13.500 3.998 158 HD2 ARG 22 1HD ARG 22 2.697 12.961 2.566 159 HD3 ARG 22 2HD ARG 22 2.340 11.246 2.623 160 HE ARG 22 HE ARG 22 0.222 12.231 1.166 161 HH11 ARG 22 1HH1 ARG 22 3.708 12.617 0.877 162 HH12 ARG 22 2HH1 ARG 22 3.670 12.827 -0.842 163 HH21 ARG 22 1HH2 ARG 22 0.172 12.508 -1.102 164 HH22 ARG 22 2HH2 ARG 22 1.646 12.765 -1.975 165 H GLU 23 H GLU 23 2.074 11.587 8.490 166 HA GLU 23 HA GLU 23 0.429 9.610 9.190 167 HB2 GLU 23 1HB GLU 23 2.215 10.236 10.656 168 HB3 GLU 23 2HB GLU 23 1.602 11.866 10.850 169 HG2 GLU 23 1HG GLU 23 -0.279 11.107 12.175 170 HG3 GLU 23 2HG GLU 23 0.009 9.430 11.754 171 H GLY 24 H GLY 24 -1.762 9.386 9.181 172 HA2 GLY 24 1HA GLY 24 -3.788 10.087 10.330 173 HA3 GLY 24 2HA GLY 24 -3.371 11.747 9.955 174 H ASP 25 H ASP 25 -2.356 9.901 7.321 175 HA ASP 25 HA ASP 25 -4.804 10.594 5.926 176 HB2 ASP 25 1HB ASP 25 -1.935 10.097 5.053 177 HB3 ASP 25 2HB ASP 25 -3.237 10.068 3.880 178 H ALA 26 H ALA 26 -5.426 8.969 4.098 179 HA ALA 26 HA ALA 26 -4.461 6.283 4.417 180 HB1 ALA 26 1HB ALA 26 -6.240 6.772 6.265 181 HB2 ALA 26 2HB ALA 26 -7.410 6.716 4.924 182 HB3 ALA 26 3HB ALA 26 -6.403 5.293 5.288 183 H LEU 27 H LEU 27 -4.850 5.060 2.550 184 HA LEU 27 HA LEU 27 -6.471 6.414 0.510 185 HB2 LEU 27 1HB LEU 27 -3.868 4.963 0.027 186 HB3 LEU 27 2HB LEU 27 -4.860 5.774 -1.168 187 HG LEU 27 HG LEU 27 -3.972 7.483 1.079 188 HD11 LEU 27 1HD1 LEU 27 -1.693 7.752 0.236 189 HD12 LEU 27 2HD1 LEU 27 -1.979 6.093 0.813 190 HD13 LEU 27 3HD1 LEU 27 -1.961 6.436 -0.933 191 HD21 LEU 27 1HD2 LEU 27 -4.772 7.722 -1.699 192 HD22 LEU 27 2HD2 LEU 27 -4.720 8.951 -0.412 193 HD23 LEU 27 3HD2 LEU 27 -3.262 8.608 -1.375 194 H ASP 28 H ASP 28 -6.975 4.750 -1.354 195 HA ASP 28 HA ASP 28 -7.235 2.087 -0.292 196 HB2 ASP 28 1HB ASP 28 -9.605 1.957 -0.522 197 HB3 ASP 28 2HB ASP 28 -9.320 3.461 0.329 198 H TYR 29 H TYR 29 -7.597 0.512 -2.055 199 HA TYR 29 HA TYR 29 -7.756 1.596 -4.750 200 HB2 TYR 29 1HB TYR 29 -5.564 -0.256 -3.621 201 HB3 TYR 29 2HB TYR 29 -5.708 0.176 -5.313 202 HD1 TYR 29 HD2 TYR 29 -5.025 1.563 -1.928 203 HD2 TYR 29 HD1 TYR 29 -4.766 2.192 -6.152 204 HE1 TYR 29 HE2 TYR 29 -3.544 3.594 -1.543 205 HE2 TYR 29 HE1 TYR 29 -3.286 4.220 -5.753 206 HH TYR 29 HH TYR 29 -3.131 5.891 -3.362 207 H LYS 30 H LYS 30 -7.555 -0.502 -6.328 208 HA LYS 30 HA LYS 30 -9.508 -2.372 -5.211 209 HB2 LYS 30 1HB LYS 30 -9.008 -1.203 -7.893 210 HB3 LYS 30 2HB LYS 30 -9.491 -2.887 -7.875 211 HG2 LYS 30 1HG LYS 30 -11.621 -2.401 -7.189 212 HG3 LYS 30 2HG LYS 30 -11.077 -1.225 -6.009 213 HD2 LYS 30 1HD LYS 30 -10.874 -0.526 -8.944 214 HD3 LYS 30 2HD LYS 30 -12.447 -0.466 -8.176 215 HE2 LYS 30 1HE LYS 30 -10.375 0.822 -6.520 216 HE3 LYS 30 2HE LYS 30 -10.481 1.550 -8.111 217 HZ1 LYS 30 1HZ LYS 30 -12.896 1.703 -7.743 218 HZ2 LYS 30 2HZ LYS 30 -12.688 1.182 -6.210 219 HZ3 LYS 30 3HZ LYS 30 -12.027 2.597 -6.689 220 HA PRO 31 HA PRO 31 -6.723 -5.661 -5.447 221 HB2 PRO 31 1HB PRO 31 -8.238 -7.777 -6.283 222 HB3 PRO 31 2HB PRO 31 -8.258 -7.175 -4.637 223 HG2 PRO 31 1HG PRO 31 -10.285 -6.830 -6.761 224 HG3 PRO 31 2HG PRO 31 -10.461 -6.618 -5.031 225 HD2 PRO 31 1HD PRO 31 -10.211 -4.544 -6.997 226 HD3 PRO 31 2HD PRO 31 -10.270 -4.338 -5.258 227 H GLY 32 H GLY 32 -5.007 -6.235 -6.637 228 HA2 GLY 32 1HA GLY 32 -4.062 -7.140 -8.557 229 HA3 GLY 32 2HA GLY 32 -5.521 -6.792 -9.464 230 H SER 33 H SER 33 -4.585 -4.174 -7.398 231 HA SER 33 HA SER 33 -3.505 -2.824 -9.740 232 HB2 SER 33 1HB SER 33 -5.195 -1.946 -7.416 233 HB3 SER 33 2HB SER 33 -4.074 -0.771 -8.073 234 HG SER 33 HG SER 33 -5.517 -2.147 -10.044 235 H THR 34 H THR 34 -1.309 -2.535 -9.719 236 HA THR 34 HA THR 34 0.185 -2.981 -7.329 237 HB THR 34 HB THR 34 0.956 -1.964 -10.116 238 HG1 THR 34 HG1 THR 34 -0.125 -4.157 -9.704 239 HG21 THR 34 1HG2 THR 34 2.684 -3.422 -8.061 240 HG22 THR 34 2HG2 THR 34 3.209 -2.660 -9.581 241 HG23 THR 34 3HG2 THR 34 2.692 -1.648 -8.211 242 H ILE 35 H ILE 35 0.768 -1.608 -5.769 243 HA ILE 35 HA ILE 35 0.381 1.243 -6.354 244 HB ILE 35 HB ILE 35 0.190 -0.299 -3.766 245 HG12 ILE 35 1HG1 ILE 35 -2.120 1.269 -4.388 246 HG13 ILE 35 2HG1 ILE 35 -1.716 0.321 -5.806 247 HG21 ILE 35 1HG2 ILE 35 0.196 1.603 -2.554 248 HG22 ILE 35 2HG2 ILE 35 1.174 2.212 -3.910 249 HG23 ILE 35 3HG2 ILE 35 -0.570 2.562 -3.843 250 HD11 ILE 35 1HD1 ILE 35 -1.497 -1.711 -4.236 251 HD12 ILE 35 2HD1 ILE 35 -2.245 -0.691 -2.984 252 HD13 ILE 35 3HD1 ILE 35 -3.142 -1.074 -4.473 253 H ARG 36 H ARG 36 2.390 1.811 -7.181 254 HA ARG 36 HA ARG 36 4.730 0.838 -5.916 255 HB2 ARG 36 1HB ARG 36 4.364 3.052 -7.998 256 HB3 ARG 36 2HB ARG 36 5.905 2.347 -7.549 257 HG2 ARG 36 1HG ARG 36 5.521 0.402 -8.729 258 HG3 ARG 36 2HG ARG 36 3.816 0.365 -8.326 259 HD2 ARG 36 1HD ARG 36 3.322 1.201 -10.377 260 HD3 ARG 36 2HD ARG 36 4.190 2.671 -9.983 261 HE ARG 36 HE ARG 36 6.079 0.625 -10.699 262 HH11 ARG 36 1HH1 ARG 36 3.657 2.731 -12.141 263 HH12 ARG 36 2HH1 ARG 36 4.423 2.761 -13.695 264 HH21 ARG 36 1HH2 ARG 36 7.091 0.665 -12.748 265 HH22 ARG 36 2HH2 ARG 36 6.389 1.579 -14.042 266 H VAL 37 H VAL 37 5.176 1.611 -3.856 267 HA VAL 37 HA VAL 37 4.597 4.408 -3.291 268 HB VAL 37 HB VAL 37 5.539 2.192 -1.463 269 HG11 VAL 37 1HG1 VAL 37 5.509 3.674 0.217 270 HG12 VAL 37 2HG1 VAL 37 5.471 4.936 -1.039 271 HG13 VAL 37 3HG1 VAL 37 3.953 4.361 -0.308 272 HG21 VAL 37 1HG2 VAL 37 2.805 2.968 -2.421 273 HG22 VAL 37 2HG2 VAL 37 3.487 1.357 -2.092 274 HG23 VAL 37 3HG2 VAL 37 3.005 2.412 -0.742 275 H GLY 38 H GLY 38 6.146 5.948 -3.397 276 HA2 GLY 38 1HA GLY 38 8.936 5.154 -2.940 277 HA3 GLY 38 2HA GLY 38 8.519 5.922 -4.459 278 H ARG 39 H ARG 39 9.908 7.742 -3.904 279 HA ARG 39 HA ARG 39 8.907 9.320 -1.690 280 HB2 ARG 39 1HB ARG 39 11.305 8.990 -1.589 281 HB3 ARG 39 2HB ARG 39 11.505 9.375 -3.287 282 HG2 ARG 39 1HG ARG 39 11.016 11.713 -2.923 283 HG3 ARG 39 2HG ARG 39 10.394 11.410 -1.312 284 HD2 ARG 39 1HD ARG 39 12.471 11.589 -0.400 285 HD3 ARG 39 2HD ARG 39 13.121 10.393 -1.504 286 HE ARG 39 HE ARG 39 13.193 13.319 -1.841 287 HH11 ARG 39 1HH1 ARG 39 13.571 10.186 -3.398 288 HH12 ARG 39 2HH1 ARG 39 14.531 10.806 -4.700 289 HH21 ARG 39 1HH2 ARG 39 14.460 14.137 -3.558 290 HH22 ARG 39 2HH2 ARG 39 15.041 13.069 -4.791 291 H ILE 40 H ILE 40 9.491 9.296 -5.226 292 HA ILE 40 HA ILE 40 8.363 11.987 -5.415 293 HB ILE 40 HB ILE 40 9.167 11.869 -7.758 294 HG12 ILE 40 1HG1 ILE 40 10.652 9.365 -6.940 295 HG13 ILE 40 2HG1 ILE 40 9.128 9.314 -7.803 296 HG21 ILE 40 1HG2 ILE 40 10.523 13.044 -6.220 297 HG22 ILE 40 2HG2 ILE 40 11.127 11.542 -5.481 298 HG23 ILE 40 3HG2 ILE 40 11.622 11.982 -7.134 299 HD11 ILE 40 1HD1 ILE 40 10.947 11.230 -9.058 300 HD12 ILE 40 2HD1 ILE 40 11.695 9.620 -8.933 301 HD13 ILE 40 3HD1 ILE 40 10.137 9.814 -9.770 302 H VAL 41 H VAL 41 6.496 12.418 -6.664 303 HA VAL 41 HA VAL 41 4.609 10.305 -6.651 304 HB VAL 41 HB VAL 41 3.225 12.084 -7.858 305 HG11 VAL 41 1HG1 VAL 41 3.133 13.515 -5.732 306 HG12 VAL 41 2HG1 VAL 41 2.844 11.768 -5.551 307 HG13 VAL 41 3HG1 VAL 41 4.423 12.459 -5.106 308 HG21 VAL 41 1HG2 VAL 41 4.125 14.029 -8.504 309 HG22 VAL 41 2HG2 VAL 41 4.981 14.237 -6.957 310 HG23 VAL 41 3HG2 VAL 41 5.714 13.266 -8.257 311 H ARG 42 H ARG 42 6.732 11.830 -9.091 312 HA ARG 42 HA ARG 42 5.574 11.049 -11.369 313 HB2 ARG 42 1HB ARG 42 8.511 11.095 -10.556 314 HB3 ARG 42 2HB ARG 42 8.038 10.717 -12.201 315 HG2 ARG 42 1HG ARG 42 6.533 13.018 -11.590 316 HG3 ARG 42 2HG ARG 42 8.079 13.321 -10.822 317 HD2 ARG 42 1HD ARG 42 9.218 12.711 -13.018 318 HD3 ARG 42 2HD ARG 42 7.634 12.591 -13.757 319 HE ARG 42 HE ARG 42 7.699 15.112 -12.496 320 HH11 ARG 42 1HH1 ARG 42 9.478 13.461 -15.043 321 HH12 ARG 42 2HH1 ARG 42 9.871 14.920 -15.890 322 HH21 ARG 42 1HH2 ARG 42 8.217 17.037 -13.613 323 HH22 ARG 42 2HH2 ARG 42 9.149 16.967 -15.071 324 H GLY 43 H GLY 43 4.940 9.093 -12.230 325 HA2 GLY 43 1HA GLY 43 4.659 6.866 -12.425 326 HA3 GLY 43 2HA GLY 43 6.410 6.802 -12.430 327 H ASN 44 H ASN 44 3.686 7.237 -10.054 328 HA ASN 44 HA ASN 44 4.558 4.995 -8.594 329 HB2 ASN 44 1HB ASN 44 5.262 7.777 -7.628 330 HB3 ASN 44 2HB ASN 44 4.771 6.595 -6.430 331 HD21 ASN 44 1HD2 ASN 44 7.329 7.901 -8.007 332 HD22 ASN 44 2HD2 ASN 44 8.509 6.644 -7.847 333 H GLU 45 H GLU 45 2.804 4.295 -7.245 334 HA GLU 45 HA GLU 45 0.358 5.628 -7.694 335 HB2 GLU 45 1HB GLU 45 0.907 3.064 -7.334 336 HB3 GLU 45 2HB GLU 45 0.723 3.442 -5.633 337 HG2 GLU 45 1HG GLU 45 -1.504 3.083 -5.980 338 HG3 GLU 45 2HG GLU 45 -1.509 4.686 -6.690 339 H ILE 46 H ILE 46 2.735 5.439 -5.038 340 HA ILE 46 HA ILE 46 1.278 7.582 -3.711 341 HB ILE 46 HB ILE 46 2.069 4.977 -2.415 342 HG12 ILE 46 1HG1 ILE 46 -0.617 6.370 -2.443 343 HG13 ILE 46 2HG1 ILE 46 -0.151 5.175 -3.636 344 HG21 ILE 46 1HG2 ILE 46 2.774 6.491 -0.811 345 HG22 ILE 46 2HG2 ILE 46 1.506 7.673 -1.213 346 HG23 ILE 46 3HG2 ILE 46 1.087 6.182 -0.336 347 HD11 ILE 46 1HD1 ILE 46 -1.192 3.808 -2.062 348 HD12 ILE 46 2HD1 ILE 46 0.489 3.728 -1.482 349 HD13 ILE 46 3HD1 ILE 46 -0.675 4.817 -0.690 350 H ALA 47 H ALA 47 2.626 9.096 -2.729 351 HA ALA 47 HA ALA 47 5.484 8.448 -2.739 352 HB1 ALA 47 1HB ALA 47 5.713 9.797 -4.535 353 HB2 ALA 47 2HB ALA 47 4.045 10.402 -4.392 354 HB3 ALA 47 3HB ALA 47 5.345 11.143 -3.429 355 H ILE 48 H ILE 48 6.671 9.409 -1.045 356 HA ILE 48 HA ILE 48 5.106 11.075 0.785 357 HB ILE 48 HB ILE 48 6.666 8.586 1.462 358 HG12 ILE 48 1HG1 ILE 48 3.911 9.161 2.457 359 HG13 ILE 48 2HG1 ILE 48 4.085 8.744 0.764 360 HG21 ILE 48 1HG2 ILE 48 6.042 10.977 3.115 361 HG22 ILE 48 2HG2 ILE 48 5.776 9.382 3.859 362 HG23 ILE 48 3HG2 ILE 48 7.383 9.812 3.228 363 HD11 ILE 48 1HD1 ILE 48 5.169 7.100 3.099 364 HD12 ILE 48 2HD1 ILE 48 3.714 6.719 2.147 365 HD13 ILE 48 3HD1 ILE 48 5.318 6.674 1.377 366 H LYS 49 H LYS 49 6.195 12.849 1.531 367 HA LYS 49 HA LYS 49 8.966 13.074 0.625 368 HB2 LYS 49 1HB LYS 49 6.840 15.118 1.297 369 HB3 LYS 49 2HB LYS 49 8.527 15.549 1.096 370 HG2 LYS 49 1HG LYS 49 7.311 13.842 -1.058 371 HG3 LYS 49 2HG LYS 49 6.759 15.503 -0.970 372 HD2 LYS 49 1HD LYS 49 8.813 16.375 -1.592 373 HD3 LYS 49 2HD LYS 49 9.720 15.124 -0.765 374 HE2 LYS 49 1HE LYS 49 9.724 13.715 -2.596 375 HE3 LYS 49 2HE LYS 49 8.100 14.162 -3.081 376 HZ1 LYS 49 1HZ LYS 49 9.187 16.377 -3.671 377 HZ2 LYS 49 2HZ LYS 49 10.599 15.557 -3.634 378 HZ3 LYS 49 3HZ LYS 49 9.422 15.109 -4.674 379 H ASP 50 H ASP 50 9.339 11.458 2.517 380 HA ASP 50 HA ASP 50 9.468 12.967 5.001 381 HB2 ASP 50 1HB ASP 50 8.334 10.953 5.460 382 HB3 ASP 50 2HB ASP 50 9.284 10.035 4.308 383 H ALA 51 H ALA 51 11.271 11.916 2.296 384 HA ALA 51 HA ALA 51 13.450 12.211 1.855 385 HB1 ALA 51 1HB ALA 51 13.345 13.736 4.006 386 HB2 ALA 51 2HB ALA 51 14.190 12.370 4.773 387 HB3 ALA 51 3HB ALA 51 14.919 13.194 3.374 388 H GLY 52 H GLY 52 12.920 10.356 4.937 389 HA2 GLY 52 1HA GLY 52 14.896 8.495 4.735 390 HA3 GLY 52 2HA GLY 52 13.310 8.188 5.413 391 H ILE 53 H ILE 53 11.903 8.759 2.798 392 HA ILE 53 HA ILE 53 12.291 6.115 1.693 393 HB ILE 53 HB ILE 53 10.257 8.261 1.074 394 HG12 ILE 53 1HG1 ILE 53 9.492 5.804 2.549 395 HG13 ILE 53 2HG1 ILE 53 10.487 6.940 3.438 396 HG21 ILE 53 1HG2 ILE 53 10.354 6.861 -0.815 397 HG22 ILE 53 2HG2 ILE 53 10.540 5.392 0.173 398 HG23 ILE 53 3HG2 ILE 53 8.984 6.258 0.149 399 HD11 ILE 53 1HD1 ILE 53 8.495 7.974 3.884 400 HD12 ILE 53 2HD1 ILE 53 8.693 8.664 2.255 401 HD13 ILE 53 3HD1 ILE 53 7.683 7.218 2.493 402 H SER 54 H SER 54 12.153 5.965 -0.823 403 HA SER 54 HA SER 54 13.700 8.136 -1.979 404 HB2 SER 54 1HB SER 54 14.814 5.658 -1.296 405 HB3 SER 54 2HB SER 54 14.467 5.480 -3.004 406 HG SER 54 HG SER 54 16.183 7.380 -1.701 407 H THR 55 H THR 55 13.938 7.389 -4.573 408 HA THR 55 HA THR 55 11.203 7.352 -5.459 409 HB THR 55 HB THR 55 12.349 7.669 -7.694 410 HG1 THR 55 HG1 THR 55 14.268 6.453 -7.290 411 HG21 THR 55 1HG2 THR 55 14.037 9.461 -6.054 412 HG22 THR 55 2HG2 THR 55 12.777 9.878 -7.240 413 HG23 THR 55 3HG2 THR 55 12.327 9.496 -5.561 414 H LYS 56 H LYS 56 10.022 5.564 -5.655 415 HA LYS 56 HA LYS 56 9.433 3.515 -6.244 416 HB2 LYS 56 1HB LYS 56 12.079 3.529 -7.717 417 HB3 LYS 56 2HB LYS 56 10.951 2.190 -7.783 418 HG2 LYS 56 1HG LYS 56 10.113 3.356 -9.582 419 HG3 LYS 56 2HG LYS 56 9.217 4.206 -8.339 420 HD2 LYS 56 1HD LYS 56 11.093 5.910 -8.221 421 HD3 LYS 56 2HD LYS 56 11.875 5.090 -9.558 422 HE2 LYS 56 1HE LYS 56 9.029 5.696 -10.102 423 HE3 LYS 56 2HE LYS 56 9.975 7.135 -9.778 424 HZ1 LYS 56 1HZ LYS 56 10.969 5.102 -11.625 425 HZ2 LYS 56 2HZ LYS 56 9.910 6.237 -12.131 426 HZ3 LYS 56 3HZ LYS 56 11.365 6.684 -11.540 427 H HIS 57 H HIS 57 10.842 4.225 -3.731 428 HA HIS 57 HA HIS 57 12.739 2.578 -2.859 429 HB2 HIS 57 1HB HIS 57 11.616 4.282 -1.504 430 HB3 HIS 57 2HB HIS 57 10.177 3.286 -1.402 431 HD2 HIS 57 HD2 HIS 57 11.150 0.498 -0.289 432 HE1 HIS 57 HE1 HIS 57 13.516 2.625 2.537 433 HE2 HIS 57 HE2 HIS 57 12.396 0.373 1.929 434 H LEU 58 H LEU 58 9.228 1.709 -3.125 435 HA LEU 58 HA LEU 58 9.959 -1.000 -3.692 436 HB2 LEU 58 1HB LEU 58 8.617 -1.933 -1.806 437 HB3 LEU 58 2HB LEU 58 10.170 -1.247 -1.373 438 HG LEU 58 HG LEU 58 9.164 0.680 -0.392 439 HD11 LEU 58 1HD1 LEU 58 7.457 1.270 -1.918 440 HD12 LEU 58 2HD1 LEU 58 6.598 -0.270 -1.675 441 HD13 LEU 58 3HD1 LEU 58 6.643 0.939 -0.370 442 HD21 LEU 58 1HD2 LEU 58 7.933 -1.952 0.362 443 HD22 LEU 58 2HD2 LEU 58 9.155 -0.979 1.215 444 HD23 LEU 58 3HD2 LEU 58 7.451 -0.462 1.207 445 H ARG 59 H ARG 59 7.866 -2.334 -4.047 446 HA ARG 59 HA ARG 59 5.758 -0.513 -4.875 447 HB2 ARG 59 1HB ARG 59 5.505 -1.647 -6.990 448 HB3 ARG 59 2HB ARG 59 7.220 -1.333 -6.819 449 HG2 ARG 59 1HG ARG 59 7.262 -3.742 -5.689 450 HG3 ARG 59 2HG ARG 59 5.739 -3.958 -6.528 451 HD2 ARG 59 1HD ARG 59 6.729 -3.808 -8.664 452 HD3 ARG 59 2HD ARG 59 8.089 -2.865 -8.087 453 HE ARG 59 HE ARG 59 8.067 -5.503 -6.878 454 HH11 ARG 59 1HH1 ARG 59 8.895 -3.779 -9.832 455 HH12 ARG 59 2HH1 ARG 59 10.085 -4.937 -10.325 456 HH21 ARG 59 1HH2 ARG 59 9.637 -7.031 -7.529 457 HH22 ARG 59 2HH2 ARG 59 10.510 -6.799 -9.006 458 H ILE 60 H ILE 60 3.604 -1.347 -4.635 459 HA ILE 60 HA ILE 60 3.501 -3.873 -3.146 460 HB ILE 60 HB ILE 60 1.833 -1.373 -3.049 461 HG12 ILE 60 1HG1 ILE 60 3.222 -2.921 -0.845 462 HG13 ILE 60 2HG1 ILE 60 3.949 -1.573 -1.697 463 HG21 ILE 60 1HG2 ILE 60 1.142 -3.959 -1.641 464 HG22 ILE 60 2HG2 ILE 60 0.205 -2.446 -1.695 465 HG23 ILE 60 3HG2 ILE 60 0.385 -3.434 -3.165 466 HD11 ILE 60 1HD1 ILE 60 1.205 -1.259 -0.445 467 HD12 ILE 60 2HD1 ILE 60 2.674 -1.110 0.550 468 HD13 ILE 60 3HD1 ILE 60 2.412 -0.006 -0.822 469 H GLU 61 H GLU 61 2.352 -5.578 -3.953 470 HA GLU 61 HA GLU 61 0.529 -5.003 -6.129 471 HB2 GLU 61 1HB GLU 61 1.476 -6.911 -7.457 472 HB3 GLU 61 2HB GLU 61 2.588 -5.568 -7.289 473 HG2 GLU 61 1HG GLU 61 4.058 -7.219 -6.656 474 HG3 GLU 61 2HG GLU 61 3.316 -6.990 -5.085 475 H SER 62 H SER 62 -0.770 -7.110 -6.695 476 HA SER 62 HA SER 62 -1.079 -8.659 -4.245 477 HB2 SER 62 1HB SER 62 -2.997 -7.345 -4.107 478 HB3 SER 62 2HB SER 62 -3.129 -7.154 -5.844 479 HG SER 62 HG SER 62 -3.958 -9.276 -6.032 480 H ASP 63 H ASP 63 -1.429 -10.899 -4.545 481 HA ASP 63 HA ASP 63 -1.871 -11.781 -7.259 482 HB2 ASP 63 1HB ASP 63 0.526 -11.885 -7.177 483 HB3 ASP 63 2HB ASP 63 0.527 -12.468 -5.524 484 H SER 64 H SER 64 -2.414 -14.226 -7.247 485 HA SER 64 HA SER 64 -3.854 -15.715 -6.522 486 HB2 SER 64 1HB SER 64 -1.419 -16.025 -5.263 487 HB3 SER 64 2HB SER 64 -2.505 -16.032 -3.888 488 HG SER 64 HG SER 64 -3.782 -17.690 -5.126 489 H GLY 65 H GLY 65 -5.180 -13.427 -6.174 490 HA2 GLY 65 1HA GLY 65 -6.675 -12.268 -4.947 491 HA3 GLY 65 2HA GLY 65 -7.087 -13.836 -4.281 492 H ASN 66 H ASN 66 -3.940 -12.111 -3.910 493 HA ASN 66 HA ASN 66 -4.661 -11.510 -1.178 494 HB2 ASN 66 1HB ASN 66 -2.438 -13.370 -2.078 495 HB3 ASN 66 2HB ASN 66 -2.182 -12.390 -0.647 496 HD21 ASN 66 1HD2 ASN 66 -3.256 -12.802 1.217 497 HD22 ASN 66 2HD2 ASN 66 -4.272 -14.179 1.485 498 H TRP 67 H TRP 67 -2.701 -10.157 -0.168 499 HA TRP 67 HA TRP 67 -1.603 -8.480 -2.321 500 HB2 TRP 67 1HB TRP 67 -2.491 -7.770 0.476 501 HB3 TRP 67 2HB TRP 67 -1.539 -6.702 -0.537 502 HD1 TRP 67 HD1 TRP 67 -5.087 -8.229 -0.354 503 HE1 TRP 67 HE1 TRP 67 -6.787 -6.861 -1.838 504 HE3 TRP 67 HE3 TRP 67 -1.599 -5.214 -2.499 505 HZ2 TRP 67 HZ2 TRP 67 -6.488 -4.720 -3.701 506 HZ3 TRP 67 HZ3 TRP 67 -2.387 -3.511 -4.140 507 HH2 TRP 67 HH2 TRP 67 -4.738 -3.238 -4.750 508 H VAL 68 H VAL 68 0.630 -8.043 -2.270 509 HA VAL 68 HA VAL 68 2.119 -9.132 -0.005 510 HB VAL 68 HB VAL 68 3.548 -10.414 -1.332 511 HG11 VAL 68 1HG1 VAL 68 1.092 -11.227 -1.021 512 HG12 VAL 68 2HG1 VAL 68 0.961 -10.961 -2.776 513 HG13 VAL 68 3HG1 VAL 68 2.165 -12.106 -2.137 514 HG21 VAL 68 1HG2 VAL 68 2.730 -8.589 -3.461 515 HG22 VAL 68 2HG2 VAL 68 4.217 -9.552 -3.288 516 HG23 VAL 68 3HG2 VAL 68 2.759 -10.286 -3.998 517 H ILE 69 H ILE 69 4.369 -8.260 0.082 518 HA ILE 69 HA ILE 69 4.565 -5.722 -1.380 519 HB ILE 69 HB ILE 69 3.835 -5.299 0.898 520 HG12 ILE 69 1HG1 ILE 69 6.672 -4.425 1.023 521 HG13 ILE 69 2HG1 ILE 69 5.802 -4.011 -0.441 522 HG21 ILE 69 1HG2 ILE 69 6.234 -6.971 1.636 523 HG22 ILE 69 2HG2 ILE 69 5.524 -5.787 2.760 524 HG23 ILE 69 3HG2 ILE 69 4.541 -7.143 2.157 525 HD11 ILE 69 1HD1 ILE 69 5.446 -2.189 1.086 526 HD12 ILE 69 2HD1 ILE 69 3.922 -3.110 1.061 527 HD13 ILE 69 3HD1 ILE 69 5.053 -3.297 2.423 528 H GLN 70 H GLN 70 6.701 -5.072 -1.973 529 HA GLN 70 HA GLN 70 8.769 -7.012 -1.402 530 HB2 GLN 70 1HB GLN 70 7.658 -7.637 -3.595 531 HB3 GLN 70 2HB GLN 70 8.157 -6.087 -4.242 532 HG2 GLN 70 1HG GLN 70 10.223 -6.900 -4.695 533 HG3 GLN 70 2HG GLN 70 10.464 -7.307 -3.008 534 HE21 GLN 70 1HE2 GLN 70 8.492 -8.436 -5.758 535 HE22 GLN 70 2HE2 GLN 70 8.800 -10.130 -5.567 536 H ASP 71 H ASP 71 10.683 -6.001 -0.904 537 HA ASP 71 HA ASP 71 10.698 -3.156 -1.092 538 HB2 ASP 71 1HB ASP 71 11.647 -3.899 0.921 539 HB3 ASP 71 2HB ASP 71 12.408 -5.288 0.173 540 H LEU 72 H LEU 72 11.326 -2.242 -3.060 541 HA LEU 72 HA LEU 72 12.857 -3.700 -4.945 542 HB2 LEU 72 1HB LEU 72 11.872 -0.860 -4.776 543 HB3 LEU 72 2HB LEU 72 12.869 -1.423 -6.103 544 HG LEU 72 HG LEU 72 11.206 -2.733 -7.004 545 HD11 LEU 72 1HD1 LEU 72 9.252 -3.604 -5.773 546 HD12 LEU 72 2HD1 LEU 72 10.799 -4.146 -5.080 547 HD13 LEU 72 3HD1 LEU 72 9.873 -2.850 -4.285 548 HD21 LEU 72 1HD2 LEU 72 9.177 -1.442 -7.113 549 HD22 LEU 72 2HD2 LEU 72 9.565 -0.621 -5.583 550 HD23 LEU 72 3HD2 LEU 72 10.566 -0.333 -7.026 551 H GLY 73 H GLY 73 14.486 -4.105 -2.975 552 HA2 GLY 73 1HA GLY 73 16.425 -3.538 -1.898 553 HA3 GLY 73 2HA GLY 73 16.947 -3.385 -3.564 554 H SER 74 H SER 74 14.811 -1.346 -1.437 555 HA SER 74 HA SER 74 15.511 1.033 -2.506 556 HB2 SER 74 1HB SER 74 14.876 1.987 -0.212 557 HB3 SER 74 2HB SER 74 13.681 0.961 -0.981 558 HG SER 74 HG SER 74 13.890 -0.515 0.576 559 H SER 75 H SER 75 16.509 0.734 0.896 560 HA SER 75 HA SER 75 19.260 0.559 0.346 561 HB2 SER 75 1HB SER 75 18.111 3.178 0.146 562 HB3 SER 75 2HB SER 75 19.034 3.142 1.635 563 HG SER 75 HG SER 75 20.085 3.629 -0.645 564 H ASN 76 H ASN 76 16.999 2.225 2.673 565 HA ASN 76 HA ASN 76 18.478 1.319 4.886 566 HB2 ASN 76 1HB ASN 76 15.705 2.566 4.569 567 HB3 ASN 76 2HB ASN 76 16.343 2.133 6.143 568 HD21 ASN 76 1HD2 ASN 76 15.818 4.660 4.324 569 HD22 ASN 76 2HD2 ASN 76 17.170 5.687 4.669 570 H GLY 77 H GLY 77 15.367 0.419 3.258 571 HA2 GLY 77 1HA GLY 77 14.816 -1.914 3.086 572 HA3 GLY 77 2HA GLY 77 15.431 -2.155 4.710 573 H THR 78 H THR 78 12.782 -2.907 3.839 574 HA THR 78 HA THR 78 11.102 -0.912 5.195 575 HB THR 78 HB THR 78 10.285 -3.268 3.421 576 HG1 THR 78 HG1 THR 78 11.027 -1.922 1.832 577 HG21 THR 78 1HG2 THR 78 8.758 -1.471 4.989 578 HG22 THR 78 2HG2 THR 78 8.715 -0.781 3.348 579 HG23 THR 78 3HG2 THR 78 8.156 -2.448 3.628 580 H LEU 79 H LEU 79 9.710 -1.484 6.890 581 HA LEU 79 HA LEU 79 10.409 -4.065 8.111 582 HB2 LEU 79 1HB LEU 79 9.990 -1.340 9.300 583 HB3 LEU 79 2HB LEU 79 9.731 -2.785 10.258 584 HG LEU 79 HG LEU 79 12.328 -2.160 8.831 585 HD11 LEU 79 1HD1 LEU 79 11.374 -1.440 11.592 586 HD12 LEU 79 2HD1 LEU 79 13.102 -1.695 11.252 587 HD13 LEU 79 3HD1 LEU 79 12.201 -0.432 10.380 588 HD21 LEU 79 1HD2 LEU 79 11.498 -4.576 9.676 589 HD22 LEU 79 2HD2 LEU 79 13.200 -4.056 9.699 590 HD23 LEU 79 3HD2 LEU 79 12.222 -3.964 11.183 591 H LEU 80 H LEU 80 8.725 -5.328 8.979 592 HA LEU 80 HA LEU 80 6.032 -4.302 8.428 593 HB2 LEU 80 1HB LEU 80 6.915 -5.906 6.687 594 HB3 LEU 80 2HB LEU 80 6.924 -7.140 7.932 595 HG LEU 80 HG LEU 80 4.528 -7.014 8.183 596 HD11 LEU 80 1HD1 LEU 80 3.453 -5.451 6.230 597 HD12 LEU 80 2HD1 LEU 80 3.641 -4.968 7.933 598 HD13 LEU 80 3HD1 LEU 80 4.853 -4.471 6.728 599 HD21 LEU 80 1HD2 LEU 80 3.874 -7.460 5.689 600 HD22 LEU 80 2HD2 LEU 80 5.628 -7.337 5.412 601 HD23 LEU 80 3HD2 LEU 80 4.989 -8.558 6.538 602 H ASN 81 H ASN 81 5.270 -3.887 10.451 603 HA ASN 81 HA ASN 81 4.492 -4.299 12.437 604 HB2 ASN 81 1HB ASN 81 5.351 -7.220 12.093 605 HB3 ASN 81 2HB ASN 81 4.200 -6.619 13.270 606 HD21 ASN 81 1HD2 ASN 81 4.570 -8.038 10.312 607 HD22 ASN 81 2HD2 ASN 81 3.028 -7.715 9.593 608 H SER 82 H SER 82 7.213 -6.719 12.132 609 HA SER 82 HA SER 82 8.954 -5.103 13.651 610 HB2 SER 82 1HB SER 82 7.545 -5.957 15.501 611 HB3 SER 82 2HB SER 82 7.818 -7.606 14.975 612 HG SER 82 HG SER 82 10.026 -5.874 15.635 613 H ASN 83 H ASN 83 9.212 -6.116 11.099 614 HA ASN 83 HA ASN 83 11.447 -7.850 11.463 615 HB2 ASN 83 1HB ASN 83 8.849 -8.859 10.488 616 HB3 ASN 83 2HB ASN 83 10.116 -9.109 9.304 617 HD21 ASN 83 1HD2 ASN 83 9.342 -9.491 12.742 618 HD22 ASN 83 2HD2 ASN 83 10.260 -10.933 13.023 619 H ALA 84 H ALA 84 12.974 -7.416 9.795 620 HA ALA 84 HA ALA 84 12.275 -5.287 7.988 621 HB1 ALA 84 1HB ALA 84 14.636 -6.364 9.245 622 HB2 ALA 84 2HB ALA 84 14.886 -6.311 7.483 623 HB3 ALA 84 3HB ALA 84 14.440 -4.830 8.364 624 H LEU 85 H LEU 85 11.557 -5.549 5.934 625 HA LEU 85 HA LEU 85 11.202 -8.158 4.900 626 HB2 LEU 85 1HB LEU 85 10.936 -5.496 3.500 627 HB3 LEU 85 2HB LEU 85 10.265 -7.028 2.976 628 HG LEU 85 HG LEU 85 9.495 -5.638 5.556 629 HD11 LEU 85 1HD1 LEU 85 7.396 -5.665 3.595 630 HD12 LEU 85 2HD1 LEU 85 8.140 -4.286 4.438 631 HD13 LEU 85 3HD1 LEU 85 8.842 -4.881 2.915 632 HD21 LEU 85 1HD2 LEU 85 7.662 -7.578 4.306 633 HD22 LEU 85 2HD2 LEU 85 9.183 -8.268 4.920 634 HD23 LEU 85 3HD2 LEU 85 8.118 -7.350 6.012 635 H ASP 86 H ASP 86 11.920 -8.535 2.452 636 HA ASP 86 HA ASP 86 14.702 -7.710 2.242 637 HB2 ASP 86 1HB ASP 86 13.900 -10.282 2.944 638 HB3 ASP 86 2HB ASP 86 14.063 -10.422 1.205 639 HA PRO 87 HA PRO 87 13.493 -7.083 -1.927 640 HB2 PRO 87 1HB PRO 87 15.893 -7.159 -3.232 641 HB3 PRO 87 2HB PRO 87 15.324 -5.754 -2.354 642 HG2 PRO 87 1HG PRO 87 17.400 -7.710 -1.577 643 HG3 PRO 87 2HG PRO 87 17.116 -6.100 -0.944 644 HD2 PRO 87 1HD PRO 87 16.419 -8.585 0.309 645 HD3 PRO 87 2HD PRO 87 16.032 -6.976 0.885 646 H GLU 88 H GLU 88 15.544 -9.848 -1.341 647 HA GLU 88 HA GLU 88 14.546 -11.048 -3.760 648 HB2 GLU 88 1HB GLU 88 16.544 -11.998 -1.663 649 HB3 GLU 88 2HB GLU 88 16.090 -12.949 -3.063 650 HG2 GLU 88 1HG GLU 88 16.742 -10.815 -4.454 651 HG3 GLU 88 2HG GLU 88 17.559 -10.290 -2.996 652 H THR 89 H THR 89 12.830 -10.406 -1.295 653 HA THR 89 HA THR 89 11.577 -13.031 -1.166 654 HB THR 89 HB THR 89 12.313 -11.420 1.332 655 HG1 THR 89 HG1 THR 89 14.189 -12.395 0.344 656 HG21 THR 89 1HG2 THR 89 10.995 -12.922 2.437 657 HG22 THR 89 2HG2 THR 89 10.480 -13.596 0.872 658 HG23 THR 89 3HG2 THR 89 11.905 -14.264 1.703 659 H SER 90 H SER 90 9.343 -12.978 -0.830 660 HA SER 90 HA SER 90 8.262 -10.272 -0.746 661 HB2 SER 90 1HB SER 90 6.452 -11.066 -2.301 662 HB3 SER 90 2HB SER 90 8.043 -11.044 -3.035 663 HG SER 90 HG SER 90 7.608 -13.080 -3.543 664 H VAL 91 H VAL 91 6.734 -9.969 0.853 665 HA VAL 91 HA VAL 91 5.708 -12.408 2.129 666 HB VAL 91 HB VAL 91 5.826 -9.697 3.416 667 HG11 VAL 91 1HG1 VAL 91 6.365 -12.145 4.971 668 HG12 VAL 91 2HG1 VAL 91 5.279 -10.778 5.316 669 HG13 VAL 91 3HG1 VAL 91 4.749 -12.084 4.228 670 HG21 VAL 91 1HG2 VAL 91 8.092 -11.713 3.262 671 HG22 VAL 91 2HG2 VAL 91 8.088 -10.050 2.627 672 HG23 VAL 91 3HG2 VAL 91 8.033 -10.331 4.383 673 H ASN 92 H ASN 92 3.466 -12.445 2.769 674 HA ASN 92 HA ASN 92 1.882 -10.881 0.954 675 HB2 ASN 92 1HB ASN 92 0.034 -12.393 1.657 676 HB3 ASN 92 2HB ASN 92 1.446 -13.327 1.204 677 HD21 ASN 92 1HD2 ASN 92 2.709 -14.329 2.767 678 HD22 ASN 92 2HD2 ASN 92 2.149 -14.636 4.377 679 H LEU 93 H LEU 93 1.020 -8.927 1.671 680 HA LEU 93 HA LEU 93 1.271 -7.956 4.217 681 HB2 LEU 93 1HB LEU 93 -0.616 -7.299 1.968 682 HB3 LEU 93 2HB LEU 93 -0.645 -6.416 3.482 683 HG LEU 93 HG LEU 93 1.842 -6.689 1.778 684 HD11 LEU 93 1HD1 LEU 93 -0.167 -5.553 0.647 685 HD12 LEU 93 2HD1 LEU 93 0.081 -4.243 1.826 686 HD13 LEU 93 3HD1 LEU 93 1.380 -4.675 0.689 687 HD21 LEU 93 1HD2 LEU 93 1.392 -5.709 4.406 688 HD22 LEU 93 2HD2 LEU 93 2.889 -5.673 3.445 689 HD23 LEU 93 3HD2 LEU 93 1.746 -4.312 3.361 690 H GLY 94 H GLY 94 -0.907 -7.159 5.474 691 HA2 GLY 94 1HA GLY 94 -2.963 -9.156 5.622 692 HA3 GLY 94 2HA GLY 94 -1.813 -9.275 6.939 693 H ASP 95 H ASP 95 -4.700 -8.475 6.988 694 HA ASP 95 HA ASP 95 -4.923 -5.733 7.246 695 HB2 ASP 95 1HB ASP 95 -6.971 -6.876 7.105 696 HB3 ASP 95 2HB ASP 95 -6.465 -8.136 8.213 697 H GLY 96 H GLY 96 -3.673 -4.542 8.708 698 HA2 GLY 96 1HA GLY 96 -3.508 -3.863 10.996 699 HA3 GLY 96 2HA GLY 96 -3.525 -5.547 11.481 700 H ASP 97 H ASP 97 -1.722 -5.042 8.572 701 HA ASP 97 HA ASP 97 0.683 -5.576 10.029 702 HB2 ASP 97 1HB ASP 97 0.027 -5.329 7.060 703 HB3 ASP 97 2HB ASP 97 1.654 -5.626 7.638 704 H VAL 98 H VAL 98 2.096 -3.925 10.635 705 HA VAL 98 HA VAL 98 1.646 -1.290 9.481 706 HB VAL 98 HB VAL 98 2.945 -2.374 11.955 707 HG11 VAL 98 1HG1 VAL 98 4.647 -0.885 11.296 708 HG12 VAL 98 2HG1 VAL 98 3.485 0.304 10.660 709 HG13 VAL 98 3HG1 VAL 98 3.635 0.057 12.417 710 HG21 VAL 98 1HG2 VAL 98 0.677 -1.893 12.301 711 HG22 VAL 98 2HG2 VAL 98 1.516 -0.449 12.915 712 HG23 VAL 98 3HG2 VAL 98 0.741 -0.413 11.313 713 H ILE 99 H ILE 99 2.948 -0.461 7.927 714 HA ILE 99 HA ILE 99 5.444 -1.911 7.419 715 HB ILE 99 HB ILE 99 3.871 -0.110 5.575 716 HG12 ILE 99 1HG1 ILE 99 3.962 -3.136 5.538 717 HG13 ILE 99 2HG1 ILE 99 2.678 -2.225 6.308 718 HG21 ILE 99 1HG2 ILE 99 5.375 -0.581 3.919 719 HG22 ILE 99 2HG2 ILE 99 6.459 -0.590 5.330 720 HG23 ILE 99 3HG2 ILE 99 5.873 -2.126 4.648 721 HD11 ILE 99 1HD1 ILE 99 2.808 -0.974 3.847 722 HD12 ILE 99 2HD1 ILE 99 3.222 -2.652 3.423 723 HD13 ILE 99 3HD1 ILE 99 1.687 -2.296 4.250 724 H LYS 100 H LYS 100 7.111 -0.976 8.494 725 HA LYS 100 HA LYS 100 7.095 1.934 8.724 726 HB2 LYS 100 1HB LYS 100 8.234 -0.314 10.296 727 HB3 LYS 100 2HB LYS 100 9.219 1.132 10.201 728 HG2 LYS 100 1HG LYS 100 7.583 2.486 11.244 729 HG3 LYS 100 2HG LYS 100 6.268 1.411 10.814 730 HD2 LYS 100 1HD LYS 100 8.437 0.870 12.895 731 HD3 LYS 100 2HD LYS 100 6.751 1.218 13.222 732 HE2 LYS 100 1HE LYS 100 6.641 -0.951 11.428 733 HE3 LYS 100 2HE LYS 100 8.014 -1.331 12.449 734 HZ1 LYS 100 1HZ LYS 100 5.385 -0.544 13.496 735 HZ2 LYS 100 2HZ LYS 100 5.870 -2.093 13.321 736 HZ3 LYS 100 3HZ LYS 100 6.652 -1.104 14.359 737 H LEU 101 H LEU 101 7.928 2.921 6.949 738 HA LEU 101 HA LEU 101 10.484 1.850 5.978 739 HB2 LEU 101 1HB LEU 101 9.886 2.290 3.740 740 HB3 LEU 101 2HB LEU 101 8.606 1.327 4.451 741 HG LEU 101 HG LEU 101 8.242 4.286 4.481 742 HD11 LEU 101 1HD1 LEU 101 9.201 3.522 2.185 743 HD12 LEU 101 2HD1 LEU 101 7.585 2.816 1.945 744 HD13 LEU 101 3HD1 LEU 101 7.758 4.564 2.238 745 HD21 LEU 101 1HD2 LEU 101 6.648 1.913 4.817 746 HD22 LEU 101 2HD2 LEU 101 6.232 3.615 5.131 747 HD23 LEU 101 3HD2 LEU 101 5.976 2.920 3.512 748 H GLY 102 H GLY 102 11.665 3.666 4.643 749 HA2 GLY 102 1HA GLY 102 12.587 5.718 4.588 750 HA3 GLY 102 2HA GLY 102 11.100 6.372 5.245 751 H GLU 103 H GLU 103 11.461 7.514 7.092 752 HA GLU 103 HA GLU 103 13.552 6.492 8.845 753 HB2 GLU 103 1HB GLU 103 12.437 9.306 8.491 754 HB3 GLU 103 2HB GLU 103 13.543 8.867 9.778 755 HG2 GLU 103 1HG GLU 103 14.816 7.824 7.526 756 HG3 GLU 103 2HG GLU 103 14.080 9.282 6.892 757 H TYR 104 H TYR 104 10.375 8.270 8.943 758 HA TYR 104 HA TYR 104 9.651 6.590 11.232 759 HB2 TYR 104 1HB TYR 104 9.512 9.644 10.853 760 HB3 TYR 104 2HB TYR 104 8.633 8.824 12.128 761 HD1 TYR 104 HD1 TYR 104 9.959 7.528 13.888 762 HD2 TYR 104 HD2 TYR 104 11.791 10.235 11.128 763 HE1 TYR 104 HE1 TYR 104 12.002 7.691 15.393 764 HE2 TYR 104 HE2 TYR 104 13.827 10.389 12.642 765 HH TYR 104 HH TYR 104 14.909 9.206 14.326 766 H THR 105 H THR 105 8.893 6.190 8.510 767 HA THR 105 HA THR 105 6.130 7.205 8.495 768 HB THR 105 HB THR 105 8.081 6.313 6.320 769 HG1 THR 105 HG1 THR 105 7.912 8.562 7.317 770 HG21 THR 105 1HG2 THR 105 6.227 5.612 5.143 771 HG22 THR 105 2HG2 THR 105 5.104 6.336 6.320 772 HG23 THR 105 3HG2 THR 105 5.834 7.346 5.049 773 H SER 106 H SER 106 4.558 5.866 9.093 774 HA SER 106 HA SER 106 5.121 3.023 8.749 775 HB2 SER 106 1HB SER 106 3.423 4.317 10.929 776 HB3 SER 106 2HB SER 106 3.739 2.601 10.760 777 HG SER 106 HG SER 106 6.143 3.833 10.763 778 H ILE 107 H ILE 107 3.547 1.811 7.670 779 HA ILE 107 HA ILE 107 1.061 3.240 7.035 780 HB ILE 107 HB ILE 107 2.582 1.393 5.195 781 HG12 ILE 107 1HG1 ILE 107 2.469 4.424 5.202 782 HG13 ILE 107 2HG1 ILE 107 3.868 3.444 5.593 783 HG21 ILE 107 1HG2 ILE 107 0.576 1.260 4.214 784 HG22 ILE 107 2HG2 ILE 107 -0.077 2.635 5.136 785 HG23 ILE 107 3HG2 ILE 107 0.891 2.925 3.671 786 HD11 ILE 107 1HD1 ILE 107 3.464 2.358 3.219 787 HD12 ILE 107 2HD1 ILE 107 2.518 3.834 2.914 788 HD13 ILE 107 3HD1 ILE 107 4.244 3.954 3.329 789 H LEU 108 H LEU 108 -0.782 2.188 7.589 790 HA LEU 108 HA LEU 108 -0.450 -0.530 8.596 791 HB2 LEU 108 1HB LEU 108 -1.552 1.568 9.791 792 HB3 LEU 108 2HB LEU 108 -2.967 1.038 8.902 793 HG LEU 108 HG LEU 108 -1.386 -0.807 10.705 794 HD11 LEU 108 1HD1 LEU 108 -3.507 -0.356 12.218 795 HD12 LEU 108 2HD1 LEU 108 -2.061 0.678 12.306 796 HD13 LEU 108 3HD1 LEU 108 -3.483 1.213 11.378 797 HD21 LEU 108 1HD2 LEU 108 -2.725 -2.381 9.906 798 HD22 LEU 108 2HD2 LEU 108 -4.132 -1.490 10.535 799 HD23 LEU 108 3HD2 LEU 108 -3.557 -1.189 8.878 800 H VAL 109 H VAL 109 -1.506 -2.300 7.723 801 HA VAL 109 HA VAL 109 -2.746 -1.788 5.127 802 HB VAL 109 HB VAL 109 -1.504 -4.217 6.417 803 HG11 VAL 109 1HG1 VAL 109 -3.595 -4.742 5.062 804 HG12 VAL 109 2HG1 VAL 109 -2.709 -4.142 3.639 805 HG13 VAL 109 3HG1 VAL 109 -2.096 -5.548 4.542 806 HG21 VAL 109 1HG2 VAL 109 0.212 -2.870 5.572 807 HG22 VAL 109 2HG2 VAL 109 -0.097 -4.024 4.251 808 HG23 VAL 109 3HG2 VAL 109 -0.744 -2.368 4.157 809 H ASN 110 H ASN 110 -4.924 -1.682 5.051 810 HA ASN 110 HA ASN 110 -6.343 -3.330 6.994 811 HB2 ASN 110 1HB ASN 110 -6.626 -0.455 6.262 812 HB3 ASN 110 2HB ASN 110 -8.147 -1.324 6.268 813 HD21 ASN 110 1HD2 ASN 110 -5.231 -1.857 8.215 814 HD22 ASN 110 2HD2 ASN 110 -5.941 -1.576 9.769 815 H PHE 111 H PHE 111 -8.013 -4.632 6.096 816 HA PHE 111 HA PHE 111 -8.220 -4.528 3.190 817 HB2 PHE 111 1HB PHE 111 -8.922 -6.526 5.414 818 HB3 PHE 111 2HB PHE 111 -9.406 -6.806 3.753 819 HD1 PHE 111 HD1 PHE 111 -6.935 -5.785 2.367 820 HD2 PHE 111 HD2 PHE 111 -7.411 -8.284 5.764 821 HE1 PHE 111 HE1 PHE 111 -4.710 -6.847 1.897 822 HE2 PHE 111 HE2 PHE 111 -5.185 -9.345 5.294 823 HZ PHE 111 HZ PHE 111 -3.861 -8.614 3.366 824 H VAL 112 H VAL 112 -9.891 -3.373 2.355 825 HA VAL 112 HA VAL 112 -12.292 -3.099 3.995 826 HB VAL 112 HB VAL 112 -11.516 -1.650 1.459 827 HG11 VAL 112 1HG1 VAL 112 -13.100 0.040 2.911 828 HG12 VAL 112 2HG1 VAL 112 -13.681 -1.035 1.617 829 HG13 VAL 112 3HG1 VAL 112 -13.809 -1.542 3.318 830 HG21 VAL 112 1HG2 VAL 112 -10.712 0.175 2.857 831 HG22 VAL 112 2HG2 VAL 112 -11.088 -0.753 4.329 832 HG23 VAL 112 3HG2 VAL 112 -9.811 -1.316 3.224 833 H SER 113 H SER 113 -13.861 -4.584 3.670 834 HA SER 113 HA SER 113 -13.855 -6.092 1.259 835 HB2 SER 113 1HB SER 113 -14.408 -7.062 3.508 836 HB3 SER 113 2HB SER 113 -15.854 -6.074 3.565 837 HG SER 113 HG SER 113 -16.860 -7.540 2.387 838 H GLY 114 H GLY 114 -14.475 -4.866 -0.537 839 HA2 GLY 114 1HA GLY 114 -15.957 -3.943 -1.969 840 HA3 GLY 114 2HA GLY 114 -17.238 -4.215 -0.805 841 HA PRO 115 HA PRO 115 -16.408 0.265 -0.918 842 HB2 PRO 115 1HB PRO 115 -18.891 1.106 -1.691 843 HB3 PRO 115 2HB PRO 115 -17.571 0.853 -2.816 844 HG2 PRO 115 1HG PRO 115 -19.950 -0.836 -2.339 845 HG3 PRO 115 2HG PRO 115 -18.864 -0.832 -3.715 846 HD2 PRO 115 1HD PRO 115 -18.921 -2.746 -1.579 847 HD3 PRO 115 2HD PRO 115 -17.762 -2.675 -2.892 848 H SER 116 H SER 116 -16.135 -0.399 1.375 849 HA SER 116 HA SER 116 -18.597 0.045 2.826 850 HB2 SER 116 1HB SER 116 -16.010 -1.329 3.360 851 HB3 SER 116 2HB SER 116 -16.682 -0.482 4.739 852 HG SER 116 HG SER 116 -17.923 -2.567 3.168 853 H SER 117 H SER 117 -19.015 2.222 3.116 854 HA SER 117 HA SER 117 -16.875 4.067 3.295 855 HB2 SER 117 1HB SER 117 -19.369 4.334 2.402 856 HB3 SER 117 2HB SER 117 -19.716 4.742 4.071 857 HG SER 117 HG SER 117 -19.158 6.589 2.636 858 H GLY 118 H GLY 118 -16.254 5.338 5.154 859 HA2 GLY 118 1HA GLY 118 -17.412 4.554 7.733 860 HA3 GLY 118 2HA GLY 118 -15.701 4.282 7.472 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -35.146 -15.960 -6.497 2 HA2 GLY 1 1HA GLY 1 -34.283 -14.075 -5.630 3 HA3 GLY 1 2HA GLY 1 -32.887 -14.374 -6.647 4 H SER 2 H SER 2 -33.862 -11.747 -5.989 5 HA SER 2 HA SER 2 -34.624 -10.910 -8.672 6 HB2 SER 2 1HB SER 2 -36.641 -10.650 -7.394 7 HB3 SER 2 2HB SER 2 -35.782 -9.987 -6.018 8 HG SER 2 HG SER 2 -36.203 -8.734 -8.593 9 H SER 3 H SER 3 -32.244 -10.621 -8.900 10 HA SER 3 HA SER 3 -30.408 -9.462 -8.877 11 HB2 SER 3 1HB SER 3 -32.430 -7.616 -9.233 12 HB3 SER 3 2HB SER 3 -31.577 -6.919 -7.870 13 HG SER 3 HG SER 3 -30.331 -6.116 -9.440 14 H GLY 4 H GLY 4 -28.855 -8.029 -7.446 15 HA2 GLY 4 1HA GLY 4 -28.304 -7.253 -5.283 16 HA3 GLY 4 2HA GLY 4 -29.479 -8.349 -4.585 17 H SER 5 H SER 5 -26.242 -8.063 -6.049 18 HA SER 5 HA SER 5 -25.276 -10.149 -4.479 19 HB2 SER 5 1HB SER 5 -26.362 -11.670 -6.019 20 HB3 SER 5 2HB SER 5 -25.771 -10.788 -7.413 21 HG SER 5 HG SER 5 -23.843 -11.758 -7.271 22 H SER 6 H SER 6 -23.196 -9.489 -4.079 23 HA SER 6 HA SER 6 -21.422 -8.895 -6.133 24 HB2 SER 6 1HB SER 6 -23.053 -6.730 -5.700 25 HB3 SER 6 2HB SER 6 -21.774 -6.387 -4.552 26 HG SER 6 HG SER 6 -20.249 -6.317 -6.201 27 H GLY 7 H GLY 7 -19.326 -9.134 -5.316 28 HA2 GLY 7 1HA GLY 7 -18.455 -8.366 -2.786 29 HA3 GLY 7 2HA GLY 7 -19.016 -10.021 -2.651 30 H MET 8 H MET 8 -16.298 -8.188 -3.173 31 HA MET 8 HA MET 8 -15.160 -10.030 -5.101 32 HB2 MET 8 1HB MET 8 -14.808 -7.221 -4.388 33 HB3 MET 8 2HB MET 8 -13.269 -8.039 -4.209 34 HG2 MET 8 1HG MET 8 -13.031 -8.362 -6.471 35 HG3 MET 8 2HG MET 8 -14.713 -8.804 -6.686 36 HE1 MET 8 1HE MET 8 -16.513 -7.350 -6.236 37 HE2 MET 8 2HE MET 8 -16.490 -5.574 -6.113 38 HE3 MET 8 3HE MET 8 -16.620 -6.354 -7.708 39 H VAL 9 H VAL 9 -14.161 -11.830 -4.316 40 HA VAL 9 HA VAL 9 -13.664 -12.350 -1.686 41 HB VAL 9 HB VAL 9 -12.304 -14.168 -2.463 42 HG11 VAL 9 1HG1 VAL 9 -14.881 -13.508 -3.632 43 HG12 VAL 9 2HG1 VAL 9 -13.936 -14.568 -4.706 44 HG13 VAL 9 3HG1 VAL 9 -14.269 -15.067 -3.030 45 HG21 VAL 9 1HG2 VAL 9 -11.849 -12.385 -4.793 46 HG22 VAL 9 2HG2 VAL 9 -10.765 -13.564 -4.017 47 HG23 VAL 9 3HG2 VAL 9 -12.017 -14.119 -5.153 48 H THR 10 H THR 10 -11.754 -10.455 -4.006 49 HA THR 10 HA THR 10 -9.512 -10.326 -2.151 50 HB THR 10 HB THR 10 -9.836 -8.891 -4.822 51 HG1 THR 10 HG1 THR 10 -9.005 -11.626 -4.145 52 HG21 THR 10 1HG2 THR 10 -7.445 -9.108 -4.950 53 HG22 THR 10 2HG2 THR 10 -7.753 -8.605 -3.271 54 HG23 THR 10 3HG2 THR 10 -7.409 -10.312 -3.640 55 HA PRO 11 HA PRO 11 -11.294 -6.751 -0.411 56 HB2 PRO 11 1HB PRO 11 -9.623 -6.587 1.745 57 HB3 PRO 11 2HB PRO 11 -11.085 -7.553 1.737 58 HG2 PRO 11 1HG PRO 11 -8.273 -8.444 1.534 59 HG3 PRO 11 2HG PRO 11 -9.695 -9.381 1.951 60 HD2 PRO 11 1HD PRO 11 -8.316 -9.382 -0.564 61 HD3 PRO 11 2HD PRO 11 -9.803 -10.228 -0.183 62 H SER 12 H SER 12 -11.005 -4.565 -0.576 63 HA SER 12 HA SER 12 -8.999 -3.786 -2.276 64 HB2 SER 12 1HB SER 12 -10.867 -2.339 -0.397 65 HB3 SER 12 2HB SER 12 -9.592 -1.424 -1.177 66 HG SER 12 HG SER 12 -11.963 -2.355 -2.231 67 H LEU 13 H LEU 13 -7.168 -2.220 -1.826 68 HA LEU 13 HA LEU 13 -5.888 -2.960 0.704 69 HB2 LEU 13 1HB LEU 13 -4.881 -3.526 -1.581 70 HB3 LEU 13 2HB LEU 13 -4.543 -1.813 -1.732 71 HG LEU 13 HG LEU 13 -2.873 -3.697 -0.633 72 HD11 LEU 13 1HD1 LEU 13 -2.030 -1.666 -1.483 73 HD12 LEU 13 2HD1 LEU 13 -2.973 -0.693 -0.329 74 HD13 LEU 13 3HD1 LEU 13 -1.605 -1.676 0.246 75 HD21 LEU 13 1HD2 LEU 13 -2.692 -3.225 1.758 76 HD22 LEU 13 2HD2 LEU 13 -4.134 -2.185 1.672 77 HD23 LEU 13 3HD2 LEU 13 -4.276 -3.931 1.357 78 H ARG 14 H ARG 14 -6.155 -1.477 2.282 79 HA ARG 14 HA ARG 14 -6.229 1.297 1.409 80 HB2 ARG 14 1HB ARG 14 -8.287 0.534 2.578 81 HB3 ARG 14 2HB ARG 14 -7.337 -0.007 3.947 82 HG2 ARG 14 1HG ARG 14 -6.462 2.514 3.959 83 HG3 ARG 14 2HG ARG 14 -7.930 2.822 3.053 84 HD2 ARG 14 1HD ARG 14 -8.871 1.213 5.120 85 HD3 ARG 14 2HD ARG 14 -7.596 2.110 5.920 86 HE ARG 14 HE ARG 14 -9.295 3.835 4.292 87 HH11 ARG 14 1HH1 ARG 14 -9.017 2.246 7.419 88 HH12 ARG 14 2HH1 ARG 14 -10.057 3.372 8.227 89 HH21 ARG 14 1HH2 ARG 14 -10.666 5.321 5.357 90 HH22 ARG 14 2HH2 ARG 14 -11.000 5.133 7.046 91 H LEU 15 H LEU 15 -4.213 2.222 1.676 92 HA LEU 15 HA LEU 15 -2.531 1.251 3.837 93 HB2 LEU 15 1HB LEU 15 -2.028 3.058 1.473 94 HB3 LEU 15 2HB LEU 15 -0.836 2.739 2.717 95 HG LEU 15 HG LEU 15 -2.118 0.549 1.067 96 HD11 LEU 15 1HD1 LEU 15 -1.048 1.619 -0.638 97 HD12 LEU 15 2HD1 LEU 15 0.161 2.368 0.432 98 HD13 LEU 15 3HD1 LEU 15 0.306 0.649 -0.009 99 HD21 LEU 15 1HD2 LEU 15 0.567 0.352 2.374 100 HD22 LEU 15 2HD2 LEU 15 -0.898 0.187 3.372 101 HD23 LEU 15 3HD2 LEU 15 -0.625 -0.916 2.003 102 H VAL 16 H VAL 16 -2.870 2.131 5.808 103 HA VAL 16 HA VAL 16 -3.750 4.915 5.905 104 HB VAL 16 HB VAL 16 -3.704 2.697 7.959 105 HG11 VAL 16 1HG1 VAL 16 -4.854 5.493 8.245 106 HG12 VAL 16 2HG1 VAL 16 -4.859 4.199 9.467 107 HG13 VAL 16 3HG1 VAL 16 -3.322 4.944 8.966 108 HG21 VAL 16 1HG2 VAL 16 -6.251 3.973 7.161 109 HG22 VAL 16 2HG2 VAL 16 -5.451 3.015 5.892 110 HG23 VAL 16 3HG2 VAL 16 -5.862 2.261 7.451 111 H PHE 17 H PHE 17 -2.372 6.529 6.463 112 HA PHE 17 HA PHE 17 0.343 5.793 7.070 113 HB2 PHE 17 1HB PHE 17 -1.278 8.339 6.550 114 HB3 PHE 17 2HB PHE 17 0.384 8.461 7.091 115 HD1 PHE 17 HD2 PHE 17 2.208 7.494 5.658 116 HD2 PHE 17 HD1 PHE 17 -1.793 7.849 4.291 117 HE1 PHE 17 HE2 PHE 17 2.998 7.259 3.287 118 HE2 PHE 17 HE1 PHE 17 -1.004 7.614 1.920 119 HZ PHE 17 HZ PHE 17 1.382 7.322 1.446 120 H VAL 18 H VAL 18 0.216 4.881 9.199 121 HA VAL 18 HA VAL 18 -1.032 6.316 11.309 122 HB VAL 18 HB VAL 18 0.233 4.623 12.701 123 HG11 VAL 18 1HG1 VAL 18 -2.083 4.273 12.023 124 HG12 VAL 18 2HG1 VAL 18 -1.550 3.619 10.456 125 HG13 VAL 18 3HG1 VAL 18 -1.186 2.738 11.959 126 HG21 VAL 18 1HG2 VAL 18 0.791 2.814 10.524 127 HG22 VAL 18 2HG2 VAL 18 1.714 4.321 10.313 128 HG23 VAL 18 3HG2 VAL 18 1.867 3.387 11.820 129 H LYS 19 H LYS 19 2.191 6.236 9.812 130 HA LYS 19 HA LYS 19 2.934 8.440 11.578 131 HB2 LYS 19 1HB LYS 19 4.626 5.981 11.050 132 HB3 LYS 19 2HB LYS 19 5.239 7.464 11.753 133 HG2 LYS 19 1HG LYS 19 2.907 6.893 13.250 134 HG3 LYS 19 2HG LYS 19 3.659 5.329 13.008 135 HD2 LYS 19 1HD LYS 19 5.888 6.645 13.691 136 HD3 LYS 19 2HD LYS 19 4.756 7.762 14.429 137 HE2 LYS 19 1HE LYS 19 3.889 6.099 15.913 138 HE3 LYS 19 2HE LYS 19 4.523 4.778 14.953 139 HZ1 LYS 19 1HZ LYS 19 6.022 4.944 16.645 140 HZ2 LYS 19 2HZ LYS 19 6.767 5.854 15.512 141 HZ3 LYS 19 3HZ LYS 19 5.960 6.573 16.736 142 H GLY 20 H GLY 20 5.440 9.003 10.532 143 HA2 GLY 20 1HA GLY 20 6.573 9.575 8.613 144 HA3 GLY 20 2HA GLY 20 5.232 9.024 7.629 145 HA PRO 21 HA PRO 21 5.042 13.581 7.849 146 HB2 PRO 21 1HB PRO 21 5.365 14.130 5.191 147 HB3 PRO 21 2HB PRO 21 6.686 14.156 6.343 148 HG2 PRO 21 1HG PRO 21 6.051 12.120 4.296 149 HG3 PRO 21 2HG PRO 21 7.559 12.387 5.148 150 HD2 PRO 21 1HD PRO 21 5.642 10.316 5.661 151 HD3 PRO 21 2HD PRO 21 7.092 10.654 6.585 152 H ARG 22 H ARG 22 3.450 11.092 6.206 153 HA ARG 22 HA ARG 22 1.251 12.914 5.682 154 HB2 ARG 22 1HB ARG 22 2.309 10.500 4.343 155 HB3 ARG 22 2HB ARG 22 0.577 10.405 4.592 156 HG2 ARG 22 1HG ARG 22 0.179 11.926 2.953 157 HG3 ARG 22 2HG ARG 22 1.289 13.078 3.668 158 HD2 ARG 22 1HD ARG 22 3.037 12.463 2.288 159 HD3 ARG 22 2HD ARG 22 2.607 10.765 2.320 160 HE ARG 22 HE ARG 22 0.548 11.800 0.854 161 HH11 ARG 22 1HH1 ARG 22 4.030 12.253 0.624 162 HH12 ARG 22 2HH1 ARG 22 4.009 12.535 -1.085 163 HH21 ARG 22 1HH2 ARG 22 0.520 12.173 -1.401 164 HH22 ARG 22 2HH2 ARG 22 1.999 12.489 -2.244 165 H GLU 23 H GLU 23 2.177 11.565 8.320 166 HA GLU 23 HA GLU 23 0.536 9.501 8.997 167 HB2 GLU 23 1HB GLU 23 2.284 10.088 10.500 168 HB3 GLU 23 2HB GLU 23 1.770 11.760 10.599 169 HG2 GLU 23 1HG GLU 23 -0.279 11.094 11.823 170 HG3 GLU 23 2HG GLU 23 0.138 9.400 11.650 171 H GLY 24 H GLY 24 -1.658 9.306 9.029 172 HA2 GLY 24 1HA GLY 24 -3.688 10.071 10.092 173 HA3 GLY 24 2HA GLY 24 -3.229 11.718 9.709 174 H ASP 25 H ASP 25 -2.169 9.974 7.076 175 HA ASP 25 HA ASP 25 -4.623 10.606 5.666 176 HB2 ASP 25 1HB ASP 25 -1.712 10.358 4.909 177 HB3 ASP 25 2HB ASP 25 -2.907 10.053 3.665 178 H ALA 26 H ALA 26 -5.316 9.000 3.923 179 HA ALA 26 HA ALA 26 -4.209 6.349 4.092 180 HB1 ALA 26 1HB ALA 26 -6.054 5.254 5.036 181 HB2 ALA 26 2HB ALA 26 -5.916 6.718 6.039 182 HB3 ALA 26 3HB ALA 26 -7.143 6.633 4.753 183 H LEU 27 H LEU 27 -4.857 5.042 2.289 184 HA LEU 27 HA LEU 27 -6.544 6.443 0.344 185 HB2 LEU 27 1HB LEU 27 -3.952 5.044 -0.320 186 HB3 LEU 27 2HB LEU 27 -5.026 5.862 -1.437 187 HG LEU 27 HG LEU 27 -4.024 7.538 0.789 188 HD11 LEU 27 1HD1 LEU 27 -1.967 6.472 0.539 189 HD12 LEU 27 2HD1 LEU 27 -2.170 6.272 -1.219 190 HD13 LEU 27 3HD1 LEU 27 -1.840 7.884 -0.539 191 HD21 LEU 27 1HD2 LEU 27 -4.947 7.816 -1.970 192 HD22 LEU 27 2HD2 LEU 27 -4.961 8.984 -0.627 193 HD23 LEU 27 3HD2 LEU 27 -3.496 8.785 -1.618 194 H ASP 28 H ASP 28 -7.027 4.755 -1.558 195 HA ASP 28 HA ASP 28 -7.248 2.098 -0.473 196 HB2 ASP 28 1HB ASP 28 -9.666 1.958 -0.903 197 HB3 ASP 28 2HB ASP 28 -9.338 3.237 0.249 198 H TYR 29 H TYR 29 -7.528 0.508 -2.211 199 HA TYR 29 HA TYR 29 -7.752 1.571 -4.917 200 HB2 TYR 29 1HB TYR 29 -5.523 -0.207 -3.742 201 HB3 TYR 29 2HB TYR 29 -5.703 0.101 -5.458 202 HD1 TYR 29 HD1 TYR 29 -4.963 1.721 -2.194 203 HD2 TYR 29 HD2 TYR 29 -4.836 2.084 -6.455 204 HE1 TYR 29 HE1 TYR 29 -3.513 3.798 -1.981 205 HE2 TYR 29 HE2 TYR 29 -3.386 4.160 -6.227 206 HH TYR 29 HH TYR 29 -3.104 5.864 -3.451 207 H LYS 30 H LYS 30 -7.665 -0.459 -6.513 208 HA LYS 30 HA LYS 30 -9.585 -2.335 -5.385 209 HB2 LYS 30 1HB LYS 30 -8.927 -1.331 -8.124 210 HB3 LYS 30 2HB LYS 30 -9.592 -2.946 -7.982 211 HG2 LYS 30 1HG LYS 30 -11.015 -0.990 -6.284 212 HG3 LYS 30 2HG LYS 30 -11.057 -0.556 -7.981 213 HD2 LYS 30 1HD LYS 30 -11.869 -2.879 -8.529 214 HD3 LYS 30 2HD LYS 30 -11.885 -3.257 -6.818 215 HE2 LYS 30 1HE LYS 30 -14.098 -2.595 -7.067 216 HE3 LYS 30 2HE LYS 30 -13.389 -1.042 -6.671 217 HZ1 LYS 30 1HZ LYS 30 -14.824 -1.113 -8.685 218 HZ2 LYS 30 2HZ LYS 30 -13.347 -0.456 -8.921 219 HZ3 LYS 30 3HZ LYS 30 -13.658 -1.974 -9.438 220 HA PRO 31 HA PRO 31 -6.813 -5.642 -5.419 221 HB2 PRO 31 1HB PRO 31 -8.347 -7.781 -6.155 222 HB3 PRO 31 2HB PRO 31 -8.366 -7.098 -4.542 223 HG2 PRO 31 1HG PRO 31 -10.382 -6.838 -6.688 224 HG3 PRO 31 2HG PRO 31 -10.562 -6.538 -4.971 225 HD2 PRO 31 1HD PRO 31 -10.283 -4.569 -7.038 226 HD3 PRO 31 2HD PRO 31 -10.347 -4.275 -5.311 227 H GLY 32 H GLY 32 -5.077 -6.156 -6.590 228 HA2 GLY 32 1HA GLY 32 -4.135 -7.205 -8.456 229 HA3 GLY 32 2HA GLY 32 -5.591 -6.900 -9.382 230 H SER 33 H SER 33 -4.590 -4.210 -7.414 231 HA SER 33 HA SER 33 -3.488 -2.978 -9.816 232 HB2 SER 33 1HB SER 33 -5.280 -1.980 -7.625 233 HB3 SER 33 2HB SER 33 -4.127 -0.836 -8.281 234 HG SER 33 HG SER 33 -5.516 -0.569 -9.880 235 H THR 34 H THR 34 -1.268 -2.954 -9.684 236 HA THR 34 HA THR 34 0.137 -3.191 -7.265 237 HB THR 34 HB THR 34 0.948 -2.244 -10.064 238 HG1 THR 34 HG1 THR 34 1.492 -4.536 -10.164 239 HG21 THR 34 1HG2 THR 34 3.226 -2.950 -9.419 240 HG22 THR 34 2HG2 THR 34 2.677 -1.679 -8.299 241 HG23 THR 34 3HG2 THR 34 2.655 -3.385 -7.790 242 H ILE 35 H ILE 35 0.773 -1.788 -5.741 243 HA ILE 35 HA ILE 35 0.360 1.052 -6.372 244 HB ILE 35 HB ILE 35 0.030 -0.447 -3.774 245 HG12 ILE 35 1HG1 ILE 35 -2.206 1.175 -4.632 246 HG13 ILE 35 2HG1 ILE 35 -1.759 0.049 -5.899 247 HG21 ILE 35 1HG2 ILE 35 -0.818 2.325 -3.728 248 HG22 ILE 35 2HG2 ILE 35 0.244 1.434 -2.611 249 HG23 ILE 35 3HG2 ILE 35 0.922 2.182 -4.078 250 HD11 ILE 35 1HD1 ILE 35 -2.591 -0.556 -3.046 251 HD12 ILE 35 2HD1 ILE 35 -3.259 -1.202 -4.564 252 HD13 ILE 35 3HD1 ILE 35 -1.663 -1.745 -3.992 253 H ARG 36 H ARG 36 2.413 1.584 -7.116 254 HA ARG 36 HA ARG 36 4.685 0.622 -5.733 255 HB2 ARG 36 1HB ARG 36 4.423 2.830 -7.838 256 HB3 ARG 36 2HB ARG 36 5.939 2.122 -7.316 257 HG2 ARG 36 1HG ARG 36 5.574 0.132 -8.453 258 HG3 ARG 36 2HG ARG 36 3.838 0.185 -8.219 259 HD2 ARG 36 1HD ARG 36 3.897 0.693 -10.482 260 HD3 ARG 36 2HD ARG 36 4.031 2.321 -9.848 261 HE ARG 36 HE ARG 36 6.669 1.306 -10.001 262 HH11 ARG 36 1HH1 ARG 36 4.036 2.067 -12.208 263 HH12 ARG 36 2HH1 ARG 36 5.085 2.426 -13.539 264 HH21 ARG 36 1HH2 ARG 36 8.053 1.779 -11.756 265 HH22 ARG 36 2HH2 ARG 36 7.386 2.261 -13.280 266 H VAL 37 H VAL 37 5.198 1.422 -3.713 267 HA VAL 37 HA VAL 37 4.528 4.204 -3.143 268 HB VAL 37 HB VAL 37 5.393 1.917 -1.362 269 HG11 VAL 37 1HG1 VAL 37 4.365 4.669 -0.591 270 HG12 VAL 37 2HG1 VAL 37 4.826 3.354 0.516 271 HG13 VAL 37 3HG1 VAL 37 6.062 4.142 -0.493 272 HG21 VAL 37 1HG2 VAL 37 3.252 1.301 -1.908 273 HG22 VAL 37 2HG2 VAL 37 2.907 2.402 -0.553 274 HG23 VAL 37 3HG2 VAL 37 2.730 2.972 -2.230 275 H GLY 38 H GLY 38 6.055 5.753 -3.333 276 HA2 GLY 38 1HA GLY 38 8.856 4.994 -2.829 277 HA3 GLY 38 2HA GLY 38 8.425 5.795 -4.326 278 H ARG 39 H ARG 39 9.618 7.713 -3.892 279 HA ARG 39 HA ARG 39 8.697 9.178 -1.560 280 HB2 ARG 39 1HB ARG 39 11.104 8.949 -1.551 281 HB3 ARG 39 2HB ARG 39 11.227 9.355 -3.251 282 HG2 ARG 39 1HG ARG 39 10.656 11.671 -2.844 283 HG3 ARG 39 2HG ARG 39 10.124 11.329 -1.210 284 HD2 ARG 39 1HD ARG 39 12.243 11.495 -0.377 285 HD3 ARG 39 2HD ARG 39 12.900 10.451 -1.622 286 HE ARG 39 HE ARG 39 12.743 13.394 -1.699 287 HH11 ARG 39 1HH1 ARG 39 13.266 10.439 -3.535 288 HH12 ARG 39 2HH1 ARG 39 14.105 11.236 -4.824 289 HH21 ARG 39 1HH2 ARG 39 13.849 14.447 -3.398 290 HH22 ARG 39 2HH2 ARG 39 14.439 13.532 -4.746 291 H ILE 40 H ILE 40 8.803 9.071 -5.081 292 HA ILE 40 HA ILE 40 7.607 11.754 -5.163 293 HB ILE 40 HB ILE 40 8.380 11.754 -7.551 294 HG12 ILE 40 1HG1 ILE 40 10.215 9.504 -6.699 295 HG13 ILE 40 2HG1 ILE 40 8.730 9.228 -7.588 296 HG21 ILE 40 1HG2 ILE 40 9.502 12.865 -5.516 297 HG22 ILE 40 2HG2 ILE 40 10.714 11.569 -5.656 298 HG23 ILE 40 3HG2 ILE 40 10.448 12.688 -7.014 299 HD11 ILE 40 1HD1 ILE 40 10.418 9.392 -9.264 300 HD12 ILE 40 2HD1 ILE 40 9.607 10.977 -9.293 301 HD13 ILE 40 3HD1 ILE 40 11.178 10.796 -8.476 302 H VAL 41 H VAL 41 5.569 11.970 -6.013 303 HA VAL 41 HA VAL 41 4.086 9.566 -6.379 304 HB VAL 41 HB VAL 41 2.279 11.283 -6.975 305 HG11 VAL 41 1HG1 VAL 41 3.641 11.462 -4.266 306 HG12 VAL 41 2HG1 VAL 41 1.949 11.881 -4.626 307 HG13 VAL 41 3HG1 VAL 41 2.499 10.195 -4.774 308 HG21 VAL 41 1HG2 VAL 41 4.107 13.314 -5.723 309 HG22 VAL 41 2HG2 VAL 41 4.173 13.029 -7.479 310 HG23 VAL 41 3HG2 VAL 41 2.651 13.554 -6.719 311 H ARG 42 H ARG 42 5.848 11.823 -8.433 312 HA ARG 42 HA ARG 42 4.752 11.895 -10.752 313 HB2 ARG 42 1HB ARG 42 7.540 11.355 -9.883 314 HB3 ARG 42 2HB ARG 42 7.234 10.868 -11.539 315 HG2 ARG 42 1HG ARG 42 7.558 13.047 -12.104 316 HG3 ARG 42 2HG ARG 42 5.979 13.359 -11.410 317 HD2 ARG 42 1HD ARG 42 7.870 13.232 -9.234 318 HD3 ARG 42 2HD ARG 42 8.558 14.267 -10.470 319 HE ARG 42 HE ARG 42 5.807 14.976 -10.149 320 HH11 ARG 42 1HH1 ARG 42 8.845 15.136 -8.381 321 HH12 ARG 42 2HH1 ARG 42 8.390 16.539 -7.473 322 HH21 ARG 42 1HH2 ARG 42 5.206 16.827 -8.952 323 HH22 ARG 42 2HH2 ARG 42 6.306 17.507 -7.800 324 H GLY 43 H GLY 43 7.070 9.146 -10.619 325 HA2 GLY 43 1HA GLY 43 5.137 7.513 -12.104 326 HA3 GLY 43 2HA GLY 43 6.870 7.272 -12.001 327 H ASN 44 H ASN 44 4.095 7.580 -9.658 328 HA ASN 44 HA ASN 44 4.522 4.946 -8.747 329 HB2 ASN 44 1HB ASN 44 5.353 7.290 -6.963 330 HB3 ASN 44 2HB ASN 44 5.006 5.696 -6.324 331 HD21 ASN 44 1HD2 ASN 44 7.436 7.617 -6.996 332 HD22 ASN 44 2HD2 ASN 44 8.666 6.522 -7.533 333 H GLU 45 H GLU 45 2.678 4.281 -7.437 334 HA GLU 45 HA GLU 45 0.401 5.840 -7.794 335 HB2 GLU 45 1HB GLU 45 1.093 3.209 -6.712 336 HB3 GLU 45 2HB GLU 45 -0.171 3.963 -5.762 337 HG2 GLU 45 1HG GLU 45 -1.015 2.586 -7.722 338 HG3 GLU 45 2HG GLU 45 -1.600 4.238 -7.695 339 H ILE 46 H ILE 46 2.504 5.184 -4.928 340 HA ILE 46 HA ILE 46 1.297 7.542 -3.679 341 HB ILE 46 HB ILE 46 1.917 4.933 -2.289 342 HG12 ILE 46 1HG1 ILE 46 -0.799 6.200 -2.695 343 HG13 ILE 46 2HG1 ILE 46 -0.141 5.010 -3.799 344 HG21 ILE 46 1HG2 ILE 46 0.919 6.004 -0.314 345 HG22 ILE 46 2HG2 ILE 46 2.387 6.847 -0.864 346 HG23 ILE 46 3HG2 ILE 46 0.782 7.531 -1.217 347 HD11 ILE 46 1HD1 ILE 46 -1.375 3.684 -2.289 348 HD12 ILE 46 2HD1 ILE 46 0.277 3.567 -1.638 349 HD13 ILE 46 3HD1 ILE 46 -0.899 4.671 -0.886 350 H ALA 47 H ALA 47 2.743 8.863 -2.520 351 HA ALA 47 HA ALA 47 5.524 7.964 -2.472 352 HB1 ALA 47 1HB ALA 47 5.204 10.790 -3.216 353 HB2 ALA 47 2HB ALA 47 6.248 9.535 -3.925 354 HB3 ALA 47 3HB ALA 47 4.549 9.672 -4.436 355 H ILE 48 H ILE 48 6.846 9.203 -0.916 356 HA ILE 48 HA ILE 48 5.221 10.708 0.999 357 HB ILE 48 HB ILE 48 7.045 8.381 1.588 358 HG12 ILE 48 1HG1 ILE 48 4.332 8.654 2.772 359 HG13 ILE 48 2HG1 ILE 48 4.396 8.344 1.049 360 HG21 ILE 48 1HG2 ILE 48 7.487 10.360 3.080 361 HG22 ILE 48 2HG2 ILE 48 5.802 10.227 3.638 362 HG23 ILE 48 3HG2 ILE 48 6.938 8.884 3.910 363 HD11 ILE 48 1HD1 ILE 48 4.335 6.208 2.242 364 HD12 ILE 48 2HD1 ILE 48 5.935 6.396 1.484 365 HD13 ILE 48 3HD1 ILE 48 5.737 6.682 3.230 366 H LYS 49 H LYS 49 6.276 12.458 1.966 367 HA LYS 49 HA LYS 49 8.720 13.218 0.612 368 HB2 LYS 49 1HB LYS 49 6.591 14.619 2.179 369 HB3 LYS 49 2HB LYS 49 8.186 15.342 2.129 370 HG2 LYS 49 1HG LYS 49 6.634 14.475 -0.355 371 HG3 LYS 49 2HG LYS 49 6.633 16.111 0.274 372 HD2 LYS 49 1HD LYS 49 8.485 16.491 -0.984 373 HD3 LYS 49 2HD LYS 49 9.366 15.481 0.145 374 HE2 LYS 49 1HE LYS 49 9.566 13.783 -1.367 375 HE3 LYS 49 2HE LYS 49 7.867 13.853 -1.793 376 HZ1 LYS 49 1HZ LYS 49 8.371 14.998 -3.590 377 HZ2 LYS 49 2HZ LYS 49 9.234 16.112 -2.764 378 HZ3 LYS 49 3HZ LYS 49 9.957 14.746 -3.291 379 H ASP 50 H ASP 50 9.910 11.375 1.686 380 HA ASP 50 HA ASP 50 11.020 12.417 4.139 381 HB2 ASP 50 1HB ASP 50 9.600 10.851 5.164 382 HB3 ASP 50 2HB ASP 50 9.637 9.762 3.792 383 H ALA 51 H ALA 51 13.242 12.458 3.773 384 HA ALA 51 HA ALA 51 14.473 11.489 1.542 385 HB1 ALA 51 1HB ALA 51 15.199 13.028 3.634 386 HB2 ALA 51 2HB ALA 51 16.044 11.528 4.084 387 HB3 ALA 51 3HB ALA 51 16.382 12.305 2.519 388 H GLY 52 H GLY 52 13.549 9.789 4.515 389 HA2 GLY 52 1HA GLY 52 15.242 7.569 4.328 390 HA3 GLY 52 2HA GLY 52 13.677 7.628 5.114 391 H ILE 53 H ILE 53 12.436 8.561 2.420 392 HA ILE 53 HA ILE 53 12.295 5.862 1.282 393 HB ILE 53 HB ILE 53 10.291 8.118 1.158 394 HG12 ILE 53 1HG1 ILE 53 9.770 5.591 2.657 395 HG13 ILE 53 2HG1 ILE 53 10.843 6.760 3.401 396 HG21 ILE 53 1HG2 ILE 53 9.867 5.227 0.392 397 HG22 ILE 53 2HG2 ILE 53 8.813 6.627 0.082 398 HG23 ILE 53 3HG2 ILE 53 10.365 6.474 -0.777 399 HD11 ILE 53 1HD1 ILE 53 7.918 6.937 2.878 400 HD12 ILE 53 2HD1 ILE 53 8.893 7.693 4.162 401 HD13 ILE 53 3HD1 ILE 53 8.834 8.425 2.540 402 H SER 54 H SER 54 12.659 5.526 -0.912 403 HA SER 54 HA SER 54 13.786 7.851 -2.248 404 HB2 SER 54 1HB SER 54 14.521 5.012 -2.089 405 HB3 SER 54 2HB SER 54 14.423 5.555 -3.752 406 HG SER 54 HG SER 54 16.507 6.037 -3.134 407 H THR 55 H THR 55 13.567 7.580 -4.827 408 HA THR 55 HA THR 55 10.898 7.911 -5.465 409 HB THR 55 HB THR 55 11.813 7.664 -7.840 410 HG1 THR 55 HG1 THR 55 13.433 6.077 -7.447 411 HG21 THR 55 1HG2 THR 55 13.781 9.354 -7.476 412 HG22 THR 55 2HG2 THR 55 12.152 9.881 -6.988 413 HG23 THR 55 3HG2 THR 55 13.311 9.316 -5.760 414 H LYS 56 H LYS 56 12.963 4.965 -5.826 415 HA LYS 56 HA LYS 56 10.450 3.484 -6.187 416 HB2 LYS 56 1HB LYS 56 13.136 3.191 -7.511 417 HB3 LYS 56 2HB LYS 56 12.089 1.797 -7.335 418 HG2 LYS 56 1HG LYS 56 10.904 2.480 -9.140 419 HG3 LYS 56 2HG LYS 56 10.411 3.913 -8.259 420 HD2 LYS 56 1HD LYS 56 12.834 4.801 -8.949 421 HD3 LYS 56 2HD LYS 56 12.710 3.576 -10.196 422 HE2 LYS 56 1HE LYS 56 10.200 4.845 -10.276 423 HE3 LYS 56 2HE LYS 56 11.314 6.165 -9.975 424 HZ1 LYS 56 1HZ LYS 56 11.459 6.010 -12.204 425 HZ2 LYS 56 2HZ LYS 56 12.636 4.937 -11.844 426 HZ3 LYS 56 3HZ LYS 56 11.150 4.408 -12.266 427 H HIS 57 H HIS 57 10.788 3.918 -3.651 428 HA HIS 57 HA HIS 57 12.721 2.499 -2.287 429 HB2 HIS 57 1HB HIS 57 11.276 4.228 -1.307 430 HB3 HIS 57 2HB HIS 57 9.885 3.171 -1.454 431 HD2 HIS 57 HD2 HIS 57 11.001 0.435 -0.095 432 HE1 HIS 57 HE1 HIS 57 12.114 2.896 3.194 433 HE2 HIS 57 HE2 HIS 57 11.601 0.493 2.381 434 H LEU 58 H LEU 58 9.242 1.511 -2.708 435 HA LEU 58 HA LEU 58 10.137 -1.188 -3.256 436 HB2 LEU 58 1HB LEU 58 8.553 -2.071 -1.501 437 HB3 LEU 58 2HB LEU 58 10.085 -1.424 -0.949 438 HG LEU 58 HG LEU 58 9.022 0.618 -0.189 439 HD11 LEU 58 1HD1 LEU 58 6.615 -0.491 -1.602 440 HD12 LEU 58 2HD1 LEU 58 6.419 0.616 -0.222 441 HD13 LEU 58 3HD1 LEU 58 7.321 1.142 -1.664 442 HD21 LEU 58 1HD2 LEU 58 8.757 -0.513 1.702 443 HD22 LEU 58 2HD2 LEU 58 7.086 -0.863 1.198 444 HD23 LEU 58 3HD2 LEU 58 8.390 -2.015 0.820 445 H ARG 59 H ARG 59 8.016 -2.598 -3.633 446 HA ARG 59 HA ARG 59 6.046 -0.855 -4.865 447 HB2 ARG 59 1HB ARG 59 7.064 -1.537 -6.843 448 HB3 ARG 59 2HB ARG 59 7.717 -2.999 -6.131 449 HG2 ARG 59 1HG ARG 59 5.518 -4.095 -6.219 450 HG3 ARG 59 2HG ARG 59 4.751 -2.610 -6.748 451 HD2 ARG 59 1HD ARG 59 5.721 -2.716 -8.908 452 HD3 ARG 59 2HD ARG 59 7.038 -3.745 -8.381 453 HE ARG 59 HE ARG 59 4.325 -4.608 -9.122 454 HH11 ARG 59 1HH1 ARG 59 7.313 -5.480 -7.480 455 HH12 ARG 59 2HH1 ARG 59 7.026 -7.185 -7.590 456 HH21 ARG 59 1HH2 ARG 59 3.946 -6.857 -9.268 457 HH22 ARG 59 2HH2 ARG 59 5.098 -7.973 -8.615 458 H ILE 60 H ILE 60 3.885 -1.572 -4.629 459 HA ILE 60 HA ILE 60 3.594 -4.086 -3.136 460 HB ILE 60 HB ILE 60 1.981 -1.536 -3.038 461 HG12 ILE 60 1HG1 ILE 60 3.729 -2.921 -0.982 462 HG13 ILE 60 2HG1 ILE 60 4.094 -1.424 -1.818 463 HG21 ILE 60 1HG2 ILE 60 1.417 -3.809 -1.195 464 HG22 ILE 60 2HG2 ILE 60 0.338 -2.546 -1.832 465 HG23 ILE 60 3HG2 ILE 60 0.806 -3.919 -2.863 466 HD11 ILE 60 1HD1 ILE 60 2.686 -1.700 0.613 467 HD12 ILE 60 2HD1 ILE 60 2.850 -0.217 -0.357 468 HD13 ILE 60 3HD1 ILE 60 1.443 -1.283 -0.591 469 H GLU 61 H GLU 61 2.237 -5.658 -3.929 470 HA GLU 61 HA GLU 61 0.468 -4.916 -6.079 471 HB2 GLU 61 1HB GLU 61 1.298 -6.724 -7.562 472 HB3 GLU 61 2HB GLU 61 2.533 -5.516 -7.267 473 HG2 GLU 61 1HG GLU 61 3.871 -7.272 -6.697 474 HG3 GLU 61 2HG GLU 61 2.996 -7.275 -5.179 475 H SER 62 H SER 62 -0.855 -7.023 -6.758 476 HA SER 62 HA SER 62 -1.240 -8.599 -4.337 477 HB2 SER 62 1HB SER 62 -3.186 -7.381 -4.186 478 HB3 SER 62 2HB SER 62 -3.186 -6.962 -5.887 479 HG SER 62 HG SER 62 -4.871 -8.568 -4.962 480 H ASP 63 H ASP 63 -1.706 -10.831 -4.671 481 HA ASP 63 HA ASP 63 -2.049 -11.679 -7.404 482 HB2 ASP 63 1HB ASP 63 0.356 -12.219 -5.685 483 HB3 ASP 63 2HB ASP 63 -0.252 -13.570 -6.620 484 H SER 64 H SER 64 -2.800 -14.010 -7.471 485 HA SER 64 HA SER 64 -4.293 -15.461 -6.782 486 HB2 SER 64 1HB SER 64 -1.915 -15.680 -5.037 487 HB3 SER 64 2HB SER 64 -3.342 -16.425 -4.344 488 HG SER 64 HG SER 64 -2.968 -18.072 -5.647 489 H GLY 65 H GLY 65 -5.687 -13.352 -6.369 490 HA2 GLY 65 1HA GLY 65 -7.036 -12.106 -5.032 491 HA3 GLY 65 2HA GLY 65 -7.487 -13.686 -4.424 492 H ASN 66 H ASN 66 -4.402 -11.804 -4.070 493 HA ASN 66 HA ASN 66 -5.007 -11.356 -1.311 494 HB2 ASN 66 1HB ASN 66 -2.883 -13.312 -2.250 495 HB3 ASN 66 2HB ASN 66 -2.586 -12.379 -0.797 496 HD21 ASN 66 1HD2 ASN 66 -2.874 -15.197 -0.988 497 HD22 ASN 66 2HD2 ASN 66 -4.242 -15.686 -0.045 498 H TRP 67 H TRP 67 -3.024 -10.084 -0.296 499 HA TRP 67 HA TRP 67 -1.822 -8.460 -2.433 500 HB2 TRP 67 1HB TRP 67 -2.662 -7.724 0.374 501 HB3 TRP 67 2HB TRP 67 -1.679 -6.696 -0.650 502 HD1 TRP 67 HD1 TRP 67 -5.290 -8.026 -0.374 503 HE1 TRP 67 HE1 TRP 67 -6.947 -6.602 -1.854 504 HE3 TRP 67 HE3 TRP 67 -1.694 -5.267 -2.680 505 HZ2 TRP 67 HZ2 TRP 67 -6.576 -4.529 -3.780 506 HZ3 TRP 67 HZ3 TRP 67 -2.426 -3.565 -4.347 507 HH2 TRP 67 HH2 TRP 67 -4.773 -3.175 -4.909 508 H VAL 68 H VAL 68 0.432 -8.081 -2.335 509 HA VAL 68 HA VAL 68 1.852 -9.321 -0.102 510 HB VAL 68 HB VAL 68 3.297 -10.542 -1.511 511 HG11 VAL 68 1HG1 VAL 68 1.275 -11.749 -1.081 512 HG12 VAL 68 2HG1 VAL 68 0.410 -10.887 -2.376 513 HG13 VAL 68 3HG1 VAL 68 1.709 -12.034 -2.783 514 HG21 VAL 68 1HG2 VAL 68 3.844 -9.872 -3.564 515 HG22 VAL 68 2HG2 VAL 68 2.192 -10.206 -4.135 516 HG23 VAL 68 3HG2 VAL 68 2.598 -8.604 -3.475 517 H ILE 69 H ILE 69 3.914 -8.366 0.330 518 HA ILE 69 HA ILE 69 4.262 -5.803 -1.061 519 HB ILE 69 HB ILE 69 3.587 -5.570 1.260 520 HG12 ILE 69 1HG1 ILE 69 6.426 -4.766 1.466 521 HG13 ILE 69 2HG1 ILE 69 5.620 -4.252 -0.003 522 HG21 ILE 69 1HG2 ILE 69 4.409 -7.694 2.137 523 HG22 ILE 69 2HG2 ILE 69 6.089 -7.145 1.929 524 HG23 ILE 69 3HG2 ILE 69 5.023 -6.326 3.096 525 HD11 ILE 69 1HD1 ILE 69 3.685 -3.692 1.896 526 HD12 ILE 69 2HD1 ILE 69 5.188 -3.369 2.793 527 HD13 ILE 69 3HD1 ILE 69 4.861 -2.513 1.267 528 H GLN 70 H GLN 70 6.353 -5.193 -1.745 529 HA GLN 70 HA GLN 70 8.382 -7.242 -1.397 530 HB2 GLN 70 1HB GLN 70 7.344 -7.641 -3.602 531 HB3 GLN 70 2HB GLN 70 7.599 -5.968 -4.056 532 HG2 GLN 70 1HG GLN 70 10.157 -6.703 -3.305 533 HG3 GLN 70 2HG GLN 70 9.550 -8.218 -3.942 534 HE21 GLN 70 1HE2 GLN 70 11.584 -6.366 -4.955 535 HE22 GLN 70 2HE2 GLN 70 11.121 -5.930 -6.566 536 H ASP 71 H ASP 71 10.218 -6.329 -0.586 537 HA ASP 71 HA ASP 71 10.401 -3.474 -0.641 538 HB2 ASP 71 1HB ASP 71 12.734 -4.908 0.430 539 HB3 ASP 71 2HB ASP 71 11.688 -3.749 1.224 540 H LEU 72 H LEU 72 11.265 -2.599 -2.542 541 HA LEU 72 HA LEU 72 13.013 -4.114 -4.196 542 HB2 LEU 72 1HB LEU 72 12.100 -1.237 -4.254 543 HB3 LEU 72 2HB LEU 72 13.129 -1.960 -5.476 544 HG LEU 72 HG LEU 72 11.435 -3.204 -6.394 545 HD11 LEU 72 1HD1 LEU 72 9.873 -3.080 -3.799 546 HD12 LEU 72 2HD1 LEU 72 9.449 -4.006 -5.259 547 HD13 LEU 72 3HD1 LEU 72 10.901 -4.435 -4.324 548 HD21 LEU 72 1HD2 LEU 72 10.803 -0.973 -6.831 549 HD22 LEU 72 2HD2 LEU 72 9.308 -1.818 -6.363 550 HD23 LEU 72 3HD2 LEU 72 10.133 -0.755 -5.197 551 H GLY 73 H GLY 73 14.364 -4.435 -2.002 552 HA2 GLY 73 1HA GLY 73 16.152 -3.834 -0.713 553 HA3 GLY 73 2HA GLY 73 16.881 -3.693 -2.300 554 H SER 74 H SER 74 14.365 -1.618 -0.714 555 HA SER 74 HA SER 74 15.238 0.731 -1.653 556 HB2 SER 74 1HB SER 74 13.925 1.772 0.038 557 HB3 SER 74 2HB SER 74 13.172 0.211 -0.219 558 HG SER 74 HG SER 74 14.671 1.160 2.010 559 H SER 75 H SER 75 16.191 2.624 -0.157 560 HA SER 75 HA SER 75 18.806 2.278 0.113 561 HB2 SER 75 1HB SER 75 16.814 4.118 1.349 562 HB3 SER 75 2HB SER 75 18.361 4.055 2.169 563 HG SER 75 HG SER 75 18.180 4.403 -0.691 564 H ASN 76 H ASN 76 16.854 2.582 3.157 565 HA ASN 76 HA ASN 76 18.787 1.042 4.536 566 HB2 ASN 76 1HB ASN 76 16.015 1.977 5.451 567 HB3 ASN 76 2HB ASN 76 17.299 1.419 6.504 568 HD21 ASN 76 1HD2 ASN 76 15.810 4.063 5.235 569 HD22 ASN 76 2HD2 ASN 76 17.036 5.270 5.434 570 H GLY 77 H GLY 77 15.182 0.734 4.018 571 HA2 GLY 77 1HA GLY 77 14.898 -1.694 2.979 572 HA3 GLY 77 2HA GLY 77 15.298 -2.110 4.633 573 H THR 78 H THR 78 12.955 -3.048 4.255 574 HA THR 78 HA THR 78 11.073 -0.996 5.212 575 HB THR 78 HB THR 78 10.531 -3.291 3.254 576 HG1 THR 78 HG1 THR 78 10.810 -1.642 1.755 577 HG21 THR 78 1HG2 THR 78 8.764 -0.879 3.802 578 HG22 THR 78 2HG2 THR 78 8.322 -2.437 3.064 579 HG23 THR 78 3HG2 THR 78 8.615 -2.335 4.816 580 H LEU 79 H LEU 79 10.292 -1.390 7.180 581 HA LEU 79 HA LEU 79 10.668 -4.086 8.225 582 HB2 LEU 79 1HB LEU 79 10.184 -1.403 9.509 583 HB3 LEU 79 2HB LEU 79 10.088 -2.908 10.403 584 HG LEU 79 HG LEU 79 12.568 -2.266 8.830 585 HD11 LEU 79 1HD1 LEU 79 11.946 -1.220 11.606 586 HD12 LEU 79 2HD1 LEU 79 13.526 -1.143 10.790 587 HD13 LEU 79 3HD1 LEU 79 12.138 -0.249 10.127 588 HD21 LEU 79 1HD2 LEU 79 13.643 -3.769 10.263 589 HD22 LEU 79 2HD2 LEU 79 12.347 -3.687 11.479 590 HD23 LEU 79 3HD2 LEU 79 12.066 -4.526 9.935 591 H LEU 80 H LEU 80 8.950 -5.293 9.162 592 HA LEU 80 HA LEU 80 6.283 -4.244 8.531 593 HB2 LEU 80 1HB LEU 80 7.115 -5.893 6.844 594 HB3 LEU 80 2HB LEU 80 7.187 -7.094 8.117 595 HG LEU 80 HG LEU 80 4.758 -6.895 8.467 596 HD11 LEU 80 1HD1 LEU 80 5.025 -4.735 6.400 597 HD12 LEU 80 2HD1 LEU 80 3.516 -5.671 6.523 598 HD13 LEU 80 3HD1 LEU 80 4.108 -4.749 7.926 599 HD21 LEU 80 1HD2 LEU 80 5.725 -7.530 5.675 600 HD22 LEU 80 2HD2 LEU 80 5.420 -8.647 7.027 601 HD23 LEU 80 3HD2 LEU 80 4.058 -7.836 6.218 602 H ASN 81 H ASN 81 5.465 -3.764 10.514 603 HA ASN 81 HA ASN 81 4.653 -4.093 12.500 604 HB2 ASN 81 1HB ASN 81 5.485 -7.032 12.249 605 HB3 ASN 81 2HB ASN 81 4.348 -6.390 13.418 606 HD21 ASN 81 1HD2 ASN 81 4.660 -7.923 10.528 607 HD22 ASN 81 2HD2 ASN 81 3.126 -7.587 9.798 608 H SER 82 H SER 82 7.333 -6.572 12.367 609 HA SER 82 HA SER 82 9.076 -4.912 13.840 610 HB2 SER 82 1HB SER 82 9.266 -6.515 15.813 611 HB3 SER 82 2HB SER 82 7.811 -5.540 15.776 612 HG SER 82 HG SER 82 6.652 -7.330 15.710 613 H ASN 83 H ASN 83 9.719 -5.779 11.473 614 HA ASN 83 HA ASN 83 11.825 -7.543 11.899 615 HB2 ASN 83 1HB ASN 83 9.390 -8.893 11.442 616 HB3 ASN 83 2HB ASN 83 10.137 -8.867 9.857 617 HD21 ASN 83 1HD2 ASN 83 9.646 -11.041 11.800 618 HD22 ASN 83 2HD2 ASN 83 11.169 -11.819 12.073 619 H ALA 84 H ALA 84 13.311 -7.242 10.157 620 HA ALA 84 HA ALA 84 12.551 -5.276 8.207 621 HB1 ALA 84 1HB ALA 84 15.053 -5.900 7.517 622 HB2 ALA 84 2HB ALA 84 14.706 -4.905 8.951 623 HB3 ALA 84 3HB ALA 84 15.059 -6.640 9.136 624 H LEU 85 H LEU 85 11.572 -5.761 6.313 625 HA LEU 85 HA LEU 85 11.146 -8.369 5.462 626 HB2 LEU 85 1HB LEU 85 11.062 -5.805 3.866 627 HB3 LEU 85 2HB LEU 85 10.345 -7.333 3.394 628 HG LEU 85 HG LEU 85 9.543 -5.988 5.970 629 HD11 LEU 85 1HD1 LEU 85 7.651 -5.461 3.867 630 HD12 LEU 85 2HD1 LEU 85 8.479 -4.326 4.960 631 HD13 LEU 85 3HD1 LEU 85 9.247 -4.807 3.427 632 HD21 LEU 85 1HD2 LEU 85 8.919 -8.439 4.903 633 HD22 LEU 85 2HD2 LEU 85 7.951 -7.552 6.106 634 HD23 LEU 85 3HD2 LEU 85 7.548 -7.433 4.376 635 H ASP 86 H ASP 86 11.790 -8.863 2.935 636 HA ASP 86 HA ASP 86 14.670 -8.457 2.800 637 HB2 ASP 86 1HB ASP 86 13.351 -10.904 3.322 638 HB3 ASP 86 2HB ASP 86 13.757 -10.993 1.620 639 HA PRO 87 HA PRO 87 13.564 -7.430 -1.327 640 HB2 PRO 87 1HB PRO 87 16.040 -7.353 -2.483 641 HB3 PRO 87 2HB PRO 87 15.378 -6.028 -1.546 642 HG2 PRO 87 1HG PRO 87 17.460 -7.982 -0.779 643 HG3 PRO 87 2HG PRO 87 17.091 -6.429 -0.055 644 HD2 PRO 87 1HD PRO 87 16.393 -9.013 0.976 645 HD3 PRO 87 2HD PRO 87 15.925 -7.459 1.638 646 H GLU 88 H GLU 88 15.386 -10.273 -0.634 647 HA GLU 88 HA GLU 88 14.697 -11.294 -3.255 648 HB2 GLU 88 1HB GLU 88 16.499 -12.388 -1.053 649 HB3 GLU 88 2HB GLU 88 16.183 -13.232 -2.556 650 HG2 GLU 88 1HG GLU 88 16.976 -11.054 -3.747 651 HG3 GLU 88 2HG GLU 88 17.588 -10.556 -2.182 652 H THR 89 H THR 89 12.594 -10.784 -1.276 653 HA THR 89 HA THR 89 11.381 -13.384 -1.324 654 HB THR 89 HB THR 89 12.078 -12.040 1.341 655 HG1 THR 89 HG1 THR 89 13.848 -13.271 0.659 656 HG21 THR 89 1HG2 THR 89 9.822 -13.315 1.213 657 HG22 THR 89 2HG2 THR 89 10.788 -14.765 0.847 658 HG23 THR 89 3HG2 THR 89 10.998 -13.925 2.403 659 H SER 90 H SER 90 9.098 -13.317 -0.924 660 HA SER 90 HA SER 90 8.107 -10.573 -0.947 661 HB2 SER 90 1HB SER 90 6.241 -11.416 -2.412 662 HB3 SER 90 2HB SER 90 7.819 -11.487 -3.172 663 HG SER 90 HG SER 90 7.926 -13.762 -2.650 664 H VAL 91 H VAL 91 6.656 -10.108 0.679 665 HA VAL 91 HA VAL 91 5.636 -12.398 2.195 666 HB VAL 91 HB VAL 91 5.876 -9.490 2.989 667 HG11 VAL 91 1HG1 VAL 91 5.061 -11.998 4.462 668 HG12 VAL 91 2HG1 VAL 91 5.702 -10.577 5.322 669 HG13 VAL 91 3HG1 VAL 91 4.216 -10.435 4.353 670 HG21 VAL 91 1HG2 VAL 91 7.649 -11.656 4.079 671 HG22 VAL 91 2HG2 VAL 91 8.039 -10.910 2.510 672 HG23 VAL 91 3HG2 VAL 91 7.927 -9.901 3.973 673 H ASN 92 H ASN 92 3.384 -12.206 3.053 674 HA ASN 92 HA ASN 92 1.748 -10.981 0.993 675 HB2 ASN 92 1HB ASN 92 -0.047 -12.511 1.840 676 HB3 ASN 92 2HB ASN 92 1.386 -13.405 1.372 677 HD21 ASN 92 1HD2 ASN 92 -0.933 -13.183 3.625 678 HD22 ASN 92 2HD2 ASN 92 -0.139 -13.828 5.023 679 H LEU 93 H LEU 93 1.020 -8.936 1.615 680 HA LEU 93 HA LEU 93 1.128 -7.879 4.124 681 HB2 LEU 93 1HB LEU 93 -0.609 -7.288 1.743 682 HB3 LEU 93 2HB LEU 93 -0.747 -6.358 3.222 683 HG LEU 93 HG LEU 93 1.764 -6.648 1.549 684 HD11 LEU 93 1HD1 LEU 93 0.175 -4.117 1.924 685 HD12 LEU 93 2HD1 LEU 93 1.386 -4.518 0.683 686 HD13 LEU 93 3HD1 LEU 93 -0.221 -5.281 0.637 687 HD21 LEU 93 1HD2 LEU 93 1.231 -5.392 4.208 688 HD22 LEU 93 2HD2 LEU 93 2.661 -6.272 3.619 689 HD23 LEU 93 3HD2 LEU 93 2.370 -4.596 3.097 690 H GLY 94 H GLY 94 -0.781 -7.186 5.547 691 HA2 GLY 94 1HA GLY 94 -2.995 -9.079 5.575 692 HA3 GLY 94 2HA GLY 94 -1.878 -9.175 6.922 693 H ASP 95 H ASP 95 -4.735 -8.368 6.951 694 HA ASP 95 HA ASP 95 -4.963 -5.615 7.093 695 HB2 ASP 95 1HB ASP 95 -7.011 -6.759 6.994 696 HB3 ASP 95 2HB ASP 95 -6.505 -7.980 8.145 697 H GLY 96 H GLY 96 -3.965 -4.260 8.590 698 HA2 GLY 96 1HA GLY 96 -3.679 -3.509 10.786 699 HA3 GLY 96 2HA GLY 96 -3.789 -5.154 11.380 700 H ASP 97 H ASP 97 -1.860 -4.642 8.485 701 HA ASP 97 HA ASP 97 0.464 -5.354 10.014 702 HB2 ASP 97 1HB ASP 97 -0.152 -5.092 7.045 703 HB3 ASP 97 2HB ASP 97 1.493 -5.325 7.605 704 H VAL 98 H VAL 98 2.018 -3.822 10.611 705 HA VAL 98 HA VAL 98 1.697 -1.135 9.510 706 HB VAL 98 HB VAL 98 2.779 -2.313 12.035 707 HG11 VAL 98 1HG1 VAL 98 4.623 -1.013 11.857 708 HG12 VAL 98 2HG1 VAL 98 3.896 0.039 10.619 709 HG13 VAL 98 3HG1 VAL 98 3.506 0.288 12.338 710 HG21 VAL 98 1HG2 VAL 98 0.661 -1.583 12.473 711 HG22 VAL 98 2HG2 VAL 98 1.528 -0.056 12.761 712 HG23 VAL 98 3HG2 VAL 98 0.707 -0.334 11.206 713 H ILE 99 H ILE 99 3.030 -0.474 7.912 714 HA ILE 99 HA ILE 99 5.518 -1.978 7.565 715 HB ILE 99 HB ILE 99 4.058 -0.206 5.605 716 HG12 ILE 99 1HG1 ILE 99 4.108 -3.212 5.482 717 HG13 ILE 99 2HG1 ILE 99 2.906 -2.391 6.457 718 HG21 ILE 99 1HG2 ILE 99 5.664 -0.642 4.084 719 HG22 ILE 99 2HG2 ILE 99 6.672 -0.882 5.532 720 HG23 ILE 99 3HG2 ILE 99 5.961 -2.286 4.700 721 HD11 ILE 99 1HD1 ILE 99 1.746 -2.428 4.459 722 HD12 ILE 99 2HD1 ILE 99 2.652 -0.918 4.197 723 HD13 ILE 99 3HD1 ILE 99 3.231 -2.440 3.478 724 H LYS 100 H LYS 100 7.271 -1.059 8.480 725 HA LYS 100 HA LYS 100 7.265 1.846 8.771 726 HB2 LYS 100 1HB LYS 100 8.553 -0.430 10.215 727 HB3 LYS 100 2HB LYS 100 9.413 1.095 10.173 728 HG2 LYS 100 1HG LYS 100 7.787 2.220 11.412 729 HG3 LYS 100 2HG LYS 100 6.479 1.214 10.821 730 HD2 LYS 100 1HD LYS 100 6.590 0.109 12.804 731 HD3 LYS 100 2HD LYS 100 8.072 -0.616 12.213 732 HE2 LYS 100 1HE LYS 100 9.420 1.182 13.227 733 HE3 LYS 100 2HE LYS 100 7.974 2.052 13.698 734 HZ1 LYS 100 1HZ LYS 100 7.457 -0.191 14.870 735 HZ2 LYS 100 2HZ LYS 100 9.078 -0.380 14.820 736 HZ3 LYS 100 3HZ LYS 100 8.430 0.912 15.579 737 H LEU 101 H LEU 101 8.010 2.854 6.967 738 HA LEU 101 HA LEU 101 10.538 1.822 5.889 739 HB2 LEU 101 1HB LEU 101 9.849 2.250 3.677 740 HB3 LEU 101 2HB LEU 101 8.608 1.272 4.435 741 HG LEU 101 HG LEU 101 8.231 4.236 4.448 742 HD11 LEU 101 1HD1 LEU 101 9.046 3.650 2.149 743 HD12 LEU 101 2HD1 LEU 101 7.629 2.585 1.985 744 HD13 LEU 101 3HD1 LEU 101 7.405 4.336 2.214 745 HD21 LEU 101 1HD2 LEU 101 6.693 1.947 5.078 746 HD22 LEU 101 2HD2 LEU 101 6.200 3.657 5.118 747 HD23 LEU 101 3HD2 LEU 101 5.952 2.693 3.642 748 H GLY 102 H GLY 102 11.985 3.465 5.033 749 HA2 GLY 102 1HA GLY 102 12.822 5.573 4.832 750 HA3 GLY 102 2HA GLY 102 11.310 6.244 5.410 751 H GLU 103 H GLU 103 11.883 7.569 7.106 752 HA GLU 103 HA GLU 103 13.759 6.471 9.028 753 HB2 GLU 103 1HB GLU 103 12.713 9.325 8.779 754 HB3 GLU 103 2HB GLU 103 14.011 8.789 9.827 755 HG2 GLU 103 1HG GLU 103 15.027 7.863 7.512 756 HG3 GLU 103 2HG GLU 103 13.999 9.106 6.827 757 H TYR 104 H TYR 104 10.751 8.530 9.082 758 HA TYR 104 HA TYR 104 9.842 6.892 11.345 759 HB2 TYR 104 1HB TYR 104 9.907 9.928 10.858 760 HB3 TYR 104 2HB TYR 104 8.869 9.228 12.084 761 HD1 TYR 104 HD1 TYR 104 9.909 8.000 14.034 762 HD2 TYR 104 HD2 TYR 104 12.236 10.273 11.255 763 HE1 TYR 104 HE1 TYR 104 11.833 8.074 15.695 764 HE2 TYR 104 HE2 TYR 104 14.152 10.339 12.925 765 HH TYR 104 HH TYR 104 13.839 9.813 16.047 766 H THR 105 H THR 105 9.044 6.188 8.825 767 HA THR 105 HA THR 105 6.330 7.327 8.683 768 HB THR 105 HB THR 105 8.371 6.646 6.532 769 HG1 THR 105 HG1 THR 105 8.049 8.848 7.365 770 HG21 THR 105 1HG2 THR 105 5.465 6.172 6.427 771 HG22 THR 105 2HG2 THR 105 5.968 7.433 5.275 772 HG23 THR 105 3HG2 THR 105 6.704 5.814 5.199 773 H SER 106 H SER 106 4.728 5.945 9.090 774 HA SER 106 HA SER 106 5.354 3.127 8.678 775 HB2 SER 106 1HB SER 106 3.618 4.271 10.909 776 HB3 SER 106 2HB SER 106 4.007 2.580 10.669 777 HG SER 106 HG SER 106 5.840 2.874 11.724 778 H ILE 107 H ILE 107 3.702 1.871 7.703 779 HA ILE 107 HA ILE 107 1.274 3.370 7.001 780 HB ILE 107 HB ILE 107 2.790 1.426 5.256 781 HG12 ILE 107 1HG1 ILE 107 2.571 4.444 5.048 782 HG13 ILE 107 2HG1 ILE 107 3.993 3.563 5.571 783 HG21 ILE 107 1HG2 ILE 107 0.084 2.485 5.164 784 HG22 ILE 107 2HG2 ILE 107 1.014 2.903 3.705 785 HG23 ILE 107 3HG2 ILE 107 0.847 1.200 4.198 786 HD11 ILE 107 1HD1 ILE 107 4.422 3.918 3.281 787 HD12 ILE 107 2HD1 ILE 107 3.753 2.268 3.293 788 HD13 ILE 107 3HD1 ILE 107 2.724 3.642 2.822 789 H LEU 108 H LEU 108 -0.683 2.276 7.190 790 HA LEU 108 HA LEU 108 -0.443 -0.376 8.426 791 HB2 LEU 108 1HB LEU 108 -1.412 0.852 10.062 792 HB3 LEU 108 2HB LEU 108 -2.142 1.993 8.950 793 HG LEU 108 HG LEU 108 -3.847 0.275 8.352 794 HD11 LEU 108 1HD1 LEU 108 -3.324 -1.851 8.784 795 HD12 LEU 108 2HD1 LEU 108 -2.114 -1.403 10.010 796 HD13 LEU 108 3HD1 LEU 108 -3.835 -1.507 10.454 797 HD21 LEU 108 1HD2 LEU 108 -4.015 0.549 11.318 798 HD22 LEU 108 2HD2 LEU 108 -3.908 2.032 10.341 799 HD23 LEU 108 3HD2 LEU 108 -5.231 0.875 10.060 800 H VAL 109 H VAL 109 -1.637 -2.105 7.614 801 HA VAL 109 HA VAL 109 -2.870 -1.559 5.011 802 HB VAL 109 HB VAL 109 -1.627 -4.030 6.224 803 HG11 VAL 109 1HG1 VAL 109 -3.290 -3.695 3.726 804 HG12 VAL 109 2HG1 VAL 109 -2.056 -4.972 3.855 805 HG13 VAL 109 3HG1 VAL 109 -3.415 -4.929 5.003 806 HG21 VAL 109 1HG2 VAL 109 -0.077 -2.294 5.348 807 HG22 VAL 109 2HG2 VAL 109 0.007 -3.824 4.443 808 HG23 VAL 109 3HG2 VAL 109 -0.864 -2.431 3.758 809 H ASN 110 H ASN 110 -5.049 -1.671 4.836 810 HA ASN 110 HA ASN 110 -6.409 -3.253 6.869 811 HB2 ASN 110 1HB ASN 110 -6.701 -0.391 6.194 812 HB3 ASN 110 2HB ASN 110 -8.227 -1.242 6.058 813 HD21 ASN 110 1HD2 ASN 110 -5.458 -1.860 8.188 814 HD22 ASN 110 2HD2 ASN 110 -6.277 -1.635 9.697 815 H PHE 111 H PHE 111 -7.893 -4.719 5.959 816 HA PHE 111 HA PHE 111 -8.187 -4.621 3.075 817 HB2 PHE 111 1HB PHE 111 -8.828 -6.588 5.344 818 HB3 PHE 111 2HB PHE 111 -9.334 -6.911 3.698 819 HD1 PHE 111 HD2 PHE 111 -6.923 -5.899 2.230 820 HD2 PHE 111 HD1 PHE 111 -7.261 -8.283 5.724 821 HE1 PHE 111 HE2 PHE 111 -4.686 -6.928 1.744 822 HE2 PHE 111 HE1 PHE 111 -5.024 -9.312 5.238 823 HZ PHE 111 HZ PHE 111 -3.763 -8.622 3.254 824 H VAL 112 H VAL 112 -9.831 -3.345 2.330 825 HA VAL 112 HA VAL 112 -12.253 -3.163 3.932 826 HB VAL 112 HB VAL 112 -11.514 -1.713 1.387 827 HG11 VAL 112 1HG1 VAL 112 -13.923 -1.731 2.079 828 HG12 VAL 112 2HG1 VAL 112 -13.444 -0.931 3.595 829 HG13 VAL 112 3HG1 VAL 112 -13.190 -0.110 2.036 830 HG21 VAL 112 1HG2 VAL 112 -9.775 -1.322 3.072 831 HG22 VAL 112 2HG2 VAL 112 -10.753 0.142 2.812 832 HG23 VAL 112 3HG2 VAL 112 -11.017 -0.859 4.260 833 H SER 113 H SER 113 -14.288 -3.870 3.223 834 HA SER 113 HA SER 113 -14.277 -5.275 0.680 835 HB2 SER 113 1HB SER 113 -14.109 -6.660 3.032 836 HB3 SER 113 2HB SER 113 -15.850 -6.524 2.895 837 HG SER 113 HG SER 113 -15.472 -7.318 0.576 838 H GLY 114 H GLY 114 -15.392 -3.252 -0.006 839 HA2 GLY 114 1HA GLY 114 -17.471 -2.575 -0.781 840 HA3 GLY 114 2HA GLY 114 -18.262 -3.435 0.525 841 HA PRO 115 HA PRO 115 -17.834 1.035 1.600 842 HB2 PRO 115 1HB PRO 115 -20.404 1.885 1.225 843 HB3 PRO 115 2HB PRO 115 -19.139 2.105 0.033 844 HG2 PRO 115 1HG PRO 115 -21.377 0.173 0.025 845 HG3 PRO 115 2HG PRO 115 -20.374 0.697 -1.314 846 HD2 PRO 115 1HD PRO 115 -20.190 -1.794 0.097 847 HD3 PRO 115 2HD PRO 115 -19.115 -1.221 -1.163 848 H SER 116 H SER 116 -17.369 0.650 3.708 849 HA SER 116 HA SER 116 -19.135 -0.745 5.315 850 HB2 SER 116 1HB SER 116 -16.591 0.593 5.573 851 HB3 SER 116 2HB SER 116 -17.599 1.083 6.921 852 HG SER 116 HG SER 116 -17.990 -1.193 7.378 853 H SER 117 H SER 117 -20.568 0.011 7.040 854 HA SER 117 HA SER 117 -21.189 2.827 6.976 855 HB2 SER 117 1HB SER 117 -22.673 1.264 5.352 856 HB3 SER 117 2HB SER 117 -23.541 0.957 6.843 857 HG SER 117 HG SER 117 -23.170 3.446 5.453 858 H GLY 118 H GLY 118 -22.176 3.563 8.957 859 HA2 GLY 118 1HA GLY 118 -22.012 1.583 11.133 860 HA3 GLY 118 2HA GLY 118 -21.829 3.319 11.287 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -24.770 -3.034 -18.768 2 HA2 GLY 1 1HA GLY 1 -27.211 -2.115 -18.801 3 HA3 GLY 1 2HA GLY 1 -27.367 -3.270 -20.110 4 H SER 2 H SER 2 -28.912 -3.531 -17.771 5 HA SER 2 HA SER 2 -29.539 -5.013 -16.316 6 HB2 SER 2 1HB SER 2 -27.473 -6.686 -17.775 7 HB3 SER 2 2HB SER 2 -28.322 -7.341 -16.389 8 HG SER 2 HG SER 2 -30.291 -6.363 -17.777 9 H SER 3 H SER 3 -29.156 -5.363 -14.096 10 HA SER 3 HA SER 3 -26.494 -4.582 -13.246 11 HB2 SER 3 1HB SER 3 -29.197 -4.604 -11.850 12 HB3 SER 3 2HB SER 3 -27.704 -4.353 -10.968 13 HG SER 3 HG SER 3 -27.754 -2.726 -13.186 14 H GLY 4 H GLY 4 -25.372 -5.827 -11.577 15 HA2 GLY 4 1HA GLY 4 -26.370 -8.180 -10.430 16 HA3 GLY 4 2HA GLY 4 -25.541 -8.612 -11.912 17 H SER 5 H SER 5 -25.104 -8.309 -8.636 18 HA SER 5 HA SER 5 -22.254 -7.947 -9.036 19 HB2 SER 5 1HB SER 5 -23.847 -5.986 -7.843 20 HB3 SER 5 2HB SER 5 -23.218 -6.863 -6.463 21 HG SER 5 HG SER 5 -21.104 -6.587 -8.020 22 H SER 6 H SER 6 -21.333 -9.854 -8.382 23 HA SER 6 HA SER 6 -22.788 -11.584 -6.673 24 HB2 SER 6 1HB SER 6 -20.573 -11.767 -8.511 25 HB3 SER 6 2HB SER 6 -20.056 -12.441 -6.978 26 HG SER 6 HG SER 6 -22.352 -13.219 -8.557 27 H GLY 7 H GLY 7 -19.361 -10.363 -6.447 28 HA2 GLY 7 1HA GLY 7 -19.574 -9.138 -3.962 29 HA3 GLY 7 2HA GLY 7 -19.190 -10.821 -3.658 30 H MET 8 H MET 8 -17.054 -10.497 -2.922 31 HA MET 8 HA MET 8 -15.181 -10.081 -5.042 32 HB2 MET 8 1HB MET 8 -13.944 -8.281 -3.799 33 HB3 MET 8 2HB MET 8 -15.559 -7.755 -4.230 34 HG2 MET 8 1HG MET 8 -16.219 -8.704 -1.837 35 HG3 MET 8 2HG MET 8 -14.503 -8.573 -1.506 36 HE1 MET 8 1HE MET 8 -17.252 -6.920 -3.387 37 HE2 MET 8 2HE MET 8 -17.867 -6.236 -1.864 38 HE3 MET 8 3HE MET 8 -17.111 -5.173 -3.075 39 H VAL 9 H VAL 9 -13.276 -11.246 -4.694 40 HA VAL 9 HA VAL 9 -13.170 -12.654 -2.124 41 HB VAL 9 HB VAL 9 -12.074 -14.415 -3.259 42 HG11 VAL 9 1HG1 VAL 9 -14.353 -13.361 -4.966 43 HG12 VAL 9 2HG1 VAL 9 -13.707 -15.017 -5.040 44 HG13 VAL 9 3HG1 VAL 9 -14.480 -14.429 -3.548 45 HG21 VAL 9 1HG2 VAL 9 -12.048 -12.829 -5.837 46 HG22 VAL 9 2HG2 VAL 9 -10.674 -12.848 -4.706 47 HG23 VAL 9 3HG2 VAL 9 -11.220 -14.360 -5.469 48 H THR 10 H THR 10 -12.024 -9.896 -3.424 49 HA THR 10 HA THR 10 -9.506 -10.150 -1.962 50 HB THR 10 HB THR 10 -9.565 -8.802 -4.684 51 HG1 THR 10 HG1 THR 10 -9.019 -11.600 -3.977 52 HG21 THR 10 1HG2 THR 10 -7.193 -9.512 -4.699 53 HG22 THR 10 2HG2 THR 10 -7.525 -8.599 -3.207 54 HG23 THR 10 3HG2 THR 10 -7.423 -10.376 -3.159 55 HA PRO 11 HA PRO 11 -11.273 -6.428 -0.541 56 HB2 PRO 11 1HB PRO 11 -9.735 -6.191 1.706 57 HB3 PRO 11 2HB PRO 11 -11.226 -7.111 1.658 58 HG2 PRO 11 1HG PRO 11 -8.440 -8.099 1.686 59 HG3 PRO 11 2HG PRO 11 -9.916 -8.965 2.063 60 HD2 PRO 11 1HD PRO 11 -8.384 -9.154 -0.355 61 HD3 PRO 11 2HD PRO 11 -9.920 -9.931 -0.024 62 H SER 12 H SER 12 -10.914 -4.284 -0.877 63 HA SER 12 HA SER 12 -8.761 -3.671 -2.452 64 HB2 SER 12 1HB SER 12 -11.029 -2.328 -1.356 65 HB3 SER 12 2HB SER 12 -9.640 -1.332 -0.968 66 HG SER 12 HG SER 12 -10.194 -0.640 -2.992 67 H LEU 13 H LEU 13 -6.869 -2.241 -2.004 68 HA LEU 13 HA LEU 13 -5.739 -2.902 0.589 69 HB2 LEU 13 1HB LEU 13 -4.564 -3.338 -1.585 70 HB3 LEU 13 2HB LEU 13 -4.430 -1.605 -1.802 71 HG LEU 13 HG LEU 13 -3.037 -1.399 0.169 72 HD11 LEU 13 1HD1 LEU 13 -3.423 -2.828 1.842 73 HD12 LEU 13 2HD1 LEU 13 -4.070 -4.078 0.752 74 HD13 LEU 13 3HD1 LEU 13 -2.312 -3.926 0.987 75 HD21 LEU 13 1HD2 LEU 13 -1.531 -1.729 -1.472 76 HD22 LEU 13 2HD2 LEU 13 -1.247 -3.269 -0.626 77 HD23 LEU 13 3HD2 LEU 13 -2.317 -3.219 -2.047 78 H ARG 14 H ARG 14 -6.169 -1.538 2.238 79 HA ARG 14 HA ARG 14 -6.381 1.274 1.536 80 HB2 ARG 14 1HB ARG 14 -8.381 0.213 2.646 81 HB3 ARG 14 2HB ARG 14 -7.386 -0.184 4.033 82 HG2 ARG 14 1HG ARG 14 -6.828 2.436 3.980 83 HG3 ARG 14 2HG ARG 14 -8.337 2.526 3.093 84 HD2 ARG 14 1HD ARG 14 -8.775 0.788 5.350 85 HD3 ARG 14 2HD ARG 14 -7.948 2.214 5.943 86 HE ARG 14 HE ARG 14 -10.674 2.093 4.988 87 HH11 ARG 14 1HH1 ARG 14 -7.860 4.204 5.087 88 HH12 ARG 14 2HH1 ARG 14 -8.790 5.661 4.983 89 HH21 ARG 14 1HH2 ARG 14 -11.901 4.016 4.851 90 HH22 ARG 14 2HH2 ARG 14 -11.104 5.553 4.848 91 H LEU 15 H LEU 15 -4.322 2.155 1.782 92 HA LEU 15 HA LEU 15 -2.697 1.252 4.012 93 HB2 LEU 15 1HB LEU 15 -2.136 3.063 1.662 94 HB3 LEU 15 2HB LEU 15 -0.978 2.710 2.929 95 HG LEU 15 HG LEU 15 -2.247 0.527 1.270 96 HD11 LEU 15 1HD1 LEU 15 0.492 1.265 0.540 97 HD12 LEU 15 2HD1 LEU 15 -0.912 0.882 -0.485 98 HD13 LEU 15 3HD1 LEU 15 -0.709 2.525 0.169 99 HD21 LEU 15 1HD2 LEU 15 -0.985 0.165 3.532 100 HD22 LEU 15 2HD2 LEU 15 -0.663 -0.899 2.142 101 HD23 LEU 15 3HD2 LEU 15 0.469 0.417 2.537 102 H VAL 16 H VAL 16 -2.721 2.256 5.945 103 HA VAL 16 HA VAL 16 -3.743 5.010 5.976 104 HB VAL 16 HB VAL 16 -3.770 2.897 8.141 105 HG11 VAL 16 1HG1 VAL 16 -5.309 4.503 9.294 106 HG12 VAL 16 2HG1 VAL 16 -3.635 5.087 9.135 107 HG13 VAL 16 3HG1 VAL 16 -4.902 5.712 8.052 108 HG21 VAL 16 1HG2 VAL 16 -6.334 3.905 7.096 109 HG22 VAL 16 2HG2 VAL 16 -5.379 2.974 5.917 110 HG23 VAL 16 3HG2 VAL 16 -5.821 2.244 7.479 111 H PHE 17 H PHE 17 -2.333 6.596 6.522 112 HA PHE 17 HA PHE 17 0.326 5.801 7.292 113 HB2 PHE 17 1HB PHE 17 -1.177 8.375 6.586 114 HB3 PHE 17 2HB PHE 17 0.465 8.459 7.193 115 HD1 PHE 17 HD1 PHE 17 2.163 6.840 5.911 116 HD2 PHE 17 HD2 PHE 17 -1.471 8.326 4.301 117 HE1 PHE 17 HE1 PHE 17 3.042 6.472 3.589 118 HE2 PHE 17 HE2 PHE 17 -0.592 7.958 1.979 119 HZ PHE 17 HZ PHE 17 1.653 7.035 1.651 120 H VAL 18 H VAL 18 0.272 5.075 9.446 121 HA VAL 18 HA VAL 18 -1.078 6.663 11.427 122 HB VAL 18 HB VAL 18 0.011 4.941 12.951 123 HG11 VAL 18 1HG1 VAL 18 -2.291 4.702 12.376 124 HG12 VAL 18 2HG1 VAL 18 -1.895 4.143 10.734 125 HG13 VAL 18 3HG1 VAL 18 -1.536 3.109 12.137 126 HG21 VAL 18 1HG2 VAL 18 1.439 3.398 12.174 127 HG22 VAL 18 2HG2 VAL 18 0.424 3.055 10.753 128 HG23 VAL 18 3HG2 VAL 18 1.575 4.412 10.717 129 H LYS 19 H LYS 19 2.107 6.424 9.958 130 HA LYS 19 HA LYS 19 3.008 8.492 11.820 131 HB2 LYS 19 1HB LYS 19 4.595 6.031 11.032 132 HB3 LYS 19 2HB LYS 19 5.258 7.422 11.865 133 HG2 LYS 19 1HG LYS 19 2.815 6.512 13.195 134 HG3 LYS 19 2HG LYS 19 3.949 5.186 13.032 135 HD2 LYS 19 1HD LYS 19 5.752 6.771 13.973 136 HD3 LYS 19 2HD LYS 19 4.456 7.889 14.350 137 HE2 LYS 19 1HE LYS 19 3.341 6.111 15.733 138 HE3 LYS 19 2HE LYS 19 4.661 5.015 15.374 139 HZ1 LYS 19 1HZ LYS 19 4.690 7.415 17.014 140 HZ2 LYS 19 2HZ LYS 19 5.314 5.939 17.330 141 HZ3 LYS 19 3HZ LYS 19 6.076 6.942 16.292 142 H GLY 20 H GLY 20 5.477 9.047 10.714 143 HA2 GLY 20 1HA GLY 20 6.552 9.839 8.872 144 HA3 GLY 20 2HA GLY 20 5.296 9.182 7.841 145 HA PRO 21 HA PRO 21 4.709 13.706 8.082 146 HB2 PRO 21 1HB PRO 21 5.089 14.309 5.444 147 HB3 PRO 21 2HB PRO 21 6.356 14.437 6.648 148 HG2 PRO 21 1HG PRO 21 5.982 12.375 4.563 149 HG3 PRO 21 2HG PRO 21 7.426 12.763 5.477 150 HD2 PRO 21 1HD PRO 21 5.677 10.528 5.897 151 HD3 PRO 21 2HD PRO 21 7.054 10.981 6.882 152 H ARG 22 H ARG 22 3.473 11.171 6.139 153 HA ARG 22 HA ARG 22 1.209 12.753 5.395 154 HB2 ARG 22 1HB ARG 22 2.489 10.462 4.351 155 HB3 ARG 22 2HB ARG 22 0.969 9.842 4.968 156 HG2 ARG 22 1HG ARG 22 0.277 10.499 2.849 157 HG3 ARG 22 2HG ARG 22 -0.051 11.980 3.726 158 HD2 ARG 22 1HD ARG 22 2.710 11.624 2.558 159 HD3 ARG 22 2HD ARG 22 1.396 11.974 1.452 160 HE ARG 22 HE ARG 22 1.146 13.807 3.595 161 HH11 ARG 22 1HH1 ARG 22 3.468 13.062 1.058 162 HH12 ARG 22 2HH1 ARG 22 4.072 14.683 0.959 163 HH21 ARG 22 1HH2 ARG 22 1.943 15.945 3.464 164 HH22 ARG 22 2HH2 ARG 22 3.199 16.333 2.337 165 H GLU 23 H GLU 23 2.198 11.240 8.203 166 HA GLU 23 HA GLU 23 0.396 9.572 9.117 167 HB2 GLU 23 1HB GLU 23 2.204 10.450 10.507 168 HB3 GLU 23 2HB GLU 23 1.463 12.038 10.557 169 HG2 GLU 23 1HG GLU 23 -0.447 10.004 11.435 170 HG3 GLU 23 2HG GLU 23 1.036 9.881 12.362 171 H GLY 24 H GLY 24 -1.801 9.436 9.065 172 HA2 GLY 24 1HA GLY 24 -3.873 10.302 9.875 173 HA3 GLY 24 2HA GLY 24 -3.336 11.924 9.481 174 H ASP 25 H ASP 25 -2.141 10.102 6.972 175 HA ASP 25 HA ASP 25 -4.484 10.736 5.384 176 HB2 ASP 25 1HB ASP 25 -1.531 10.444 4.832 177 HB3 ASP 25 2HB ASP 25 -2.643 10.131 3.515 178 H ALA 26 H ALA 26 -5.233 9.099 3.775 179 HA ALA 26 HA ALA 26 -4.117 6.437 4.020 180 HB1 ALA 26 1HB ALA 26 -7.082 6.804 4.489 181 HB2 ALA 26 2HB ALA 26 -6.053 5.398 4.853 182 HB3 ALA 26 3HB ALA 26 -5.930 6.871 5.844 183 H LEU 27 H LEU 27 -4.952 4.991 2.299 184 HA LEU 27 HA LEU 27 -6.369 6.415 0.181 185 HB2 LEU 27 1HB LEU 27 -3.816 4.878 -0.301 186 HB3 LEU 27 2HB LEU 27 -4.786 5.722 -1.492 187 HG LEU 27 HG LEU 27 -3.813 7.401 0.744 188 HD11 LEU 27 1HD1 LEU 27 -1.669 6.842 0.675 189 HD12 LEU 27 2HD1 LEU 27 -1.982 5.637 -0.598 190 HD13 LEU 27 3HD1 LEU 27 -1.627 7.325 -1.038 191 HD21 LEU 27 1HD2 LEU 27 -4.363 8.970 -0.720 192 HD22 LEU 27 2HD2 LEU 27 -3.119 8.373 -1.844 193 HD23 LEU 27 3HD2 LEU 27 -4.773 7.719 -1.917 194 H ASP 28 H ASP 28 -6.812 4.668 -1.682 195 HA ASP 28 HA ASP 28 -7.208 2.070 -0.508 196 HB2 ASP 28 1HB ASP 28 -9.600 2.007 -1.059 197 HB3 ASP 28 2HB ASP 28 -9.284 3.332 0.043 198 H TYR 29 H TYR 29 -7.071 0.459 -2.147 199 HA TYR 29 HA TYR 29 -7.319 1.354 -4.921 200 HB2 TYR 29 1HB TYR 29 -5.052 -0.296 -3.636 201 HB3 TYR 29 2HB TYR 29 -5.153 0.093 -5.342 202 HD1 TYR 29 HD2 TYR 29 -4.741 2.406 -6.133 203 HD2 TYR 29 HD1 TYR 29 -4.279 1.333 -2.017 204 HE1 TYR 29 HE2 TYR 29 -3.416 4.536 -5.719 205 HE2 TYR 29 HE1 TYR 29 -2.956 3.467 -1.617 206 HH TYR 29 HH TYR 29 -2.852 5.748 -2.700 207 H LYS 30 H LYS 30 -7.991 -0.274 -6.379 208 HA LYS 30 HA LYS 30 -9.430 -2.394 -5.163 209 HB2 LYS 30 1HB LYS 30 -10.438 -2.622 -7.190 210 HB3 LYS 30 2HB LYS 30 -9.832 -0.989 -7.376 211 HG2 LYS 30 1HG LYS 30 -7.765 -1.923 -8.494 212 HG3 LYS 30 2HG LYS 30 -8.456 -3.528 -8.375 213 HD2 LYS 30 1HD LYS 30 -9.856 -3.185 -10.147 214 HD3 LYS 30 2HD LYS 30 -10.345 -1.604 -9.569 215 HE2 LYS 30 1HE LYS 30 -7.923 -0.855 -10.344 216 HE3 LYS 30 2HE LYS 30 -7.958 -2.326 -11.295 217 HZ1 LYS 30 1HZ LYS 30 -9.570 0.055 -11.569 218 HZ2 LYS 30 2HZ LYS 30 -8.938 -0.913 -12.723 219 HZ3 LYS 30 3HZ LYS 30 -10.293 -1.364 -11.929 220 HA PRO 31 HA PRO 31 -6.560 -5.605 -5.444 221 HB2 PRO 31 1HB PRO 31 -8.042 -7.780 -6.181 222 HB3 PRO 31 2HB PRO 31 -8.016 -7.147 -4.547 223 HG2 PRO 31 1HG PRO 31 -10.133 -6.903 -6.597 224 HG3 PRO 31 2HG PRO 31 -10.249 -6.661 -4.865 225 HD2 PRO 31 1HD PRO 31 -10.136 -4.622 -6.879 226 HD3 PRO 31 2HD PRO 31 -10.135 -4.382 -5.143 227 H GLY 32 H GLY 32 -4.896 -6.279 -6.679 228 HA2 GLY 32 1HA GLY 32 -4.021 -7.184 -8.627 229 HA3 GLY 32 2HA GLY 32 -5.506 -6.827 -9.486 230 H SER 33 H SER 33 -4.429 -4.224 -7.451 231 HA SER 33 HA SER 33 -3.379 -2.910 -9.832 232 HB2 SER 33 1HB SER 33 -5.363 -2.117 -7.865 233 HB3 SER 33 2HB SER 33 -4.033 -0.977 -7.830 234 HG SER 33 HG SER 33 -5.626 -1.745 -10.121 235 H THR 34 H THR 34 -1.172 -2.713 -9.778 236 HA THR 34 HA THR 34 0.289 -3.085 -7.374 237 HB THR 34 HB THR 34 1.086 -2.078 -10.158 238 HG1 THR 34 HG1 THR 34 1.639 -4.426 -10.263 239 HG21 THR 34 1HG2 THR 34 2.693 -1.981 -7.929 240 HG22 THR 34 2HG2 THR 34 2.935 -3.673 -8.423 241 HG23 THR 34 3HG2 THR 34 3.308 -2.353 -9.557 242 H ILE 35 H ILE 35 1.017 -1.698 -5.870 243 HA ILE 35 HA ILE 35 0.591 1.150 -6.459 244 HB ILE 35 HB ILE 35 0.332 -0.354 -3.854 245 HG12 ILE 35 1HG1 ILE 35 -1.952 1.227 -4.656 246 HG13 ILE 35 2HG1 ILE 35 -1.520 0.112 -5.937 247 HG21 ILE 35 1HG2 ILE 35 0.484 1.544 -2.698 248 HG22 ILE 35 2HG2 ILE 35 1.215 2.254 -4.158 249 HG23 ILE 35 3HG2 ILE 35 -0.531 2.433 -3.860 250 HD11 ILE 35 1HD1 ILE 35 -1.426 -1.742 -4.187 251 HD12 ILE 35 2HD1 ILE 35 -2.100 -0.576 -3.024 252 HD13 ILE 35 3HD1 ILE 35 -3.043 -1.050 -4.458 253 H ARG 36 H ARG 36 2.581 1.847 -7.135 254 HA ARG 36 HA ARG 36 4.905 0.793 -5.875 255 HB2 ARG 36 1HB ARG 36 4.632 3.096 -7.873 256 HB3 ARG 36 2HB ARG 36 6.128 2.285 -7.453 257 HG2 ARG 36 1HG ARG 36 4.174 0.284 -8.223 258 HG3 ARG 36 2HG ARG 36 4.212 1.530 -9.454 259 HD2 ARG 36 1HD ARG 36 6.915 1.193 -8.975 260 HD3 ARG 36 2HD ARG 36 6.323 -0.429 -8.678 261 HE ARG 36 HE ARG 36 5.965 -0.661 -10.969 262 HH11 ARG 36 1HH1 ARG 36 5.984 2.768 -10.182 263 HH12 ARG 36 2HH1 ARG 36 5.847 3.278 -11.831 264 HH21 ARG 36 1HH2 ARG 36 5.784 0.011 -13.146 265 HH22 ARG 36 2HH2 ARG 36 5.732 1.699 -13.529 266 H VAL 37 H VAL 37 5.202 1.497 -3.752 267 HA VAL 37 HA VAL 37 4.640 4.277 -3.132 268 HB VAL 37 HB VAL 37 5.625 2.093 -1.298 269 HG11 VAL 37 1HG1 VAL 37 5.411 4.739 -0.800 270 HG12 VAL 37 2HG1 VAL 37 3.757 4.222 -0.394 271 HG13 VAL 37 3HG1 VAL 37 5.149 3.484 0.434 272 HG21 VAL 37 1HG2 VAL 37 2.918 2.535 -2.480 273 HG22 VAL 37 2HG2 VAL 37 3.722 1.027 -1.982 274 HG23 VAL 37 3HG2 VAL 37 3.008 2.102 -0.756 275 H GLY 38 H GLY 38 6.179 5.834 -3.129 276 HA2 GLY 38 1HA GLY 38 8.951 5.082 -2.579 277 HA3 GLY 38 2HA GLY 38 8.605 5.785 -4.147 278 H ARG 39 H ARG 39 10.046 7.580 -3.455 279 HA ARG 39 HA ARG 39 8.887 9.245 -1.402 280 HB2 ARG 39 1HB ARG 39 11.266 8.979 -1.153 281 HB3 ARG 39 2HB ARG 39 11.559 9.228 -2.863 282 HG2 ARG 39 1HG ARG 39 11.007 11.591 -2.705 283 HG3 ARG 39 2HG ARG 39 10.378 11.402 -1.080 284 HD2 ARG 39 1HD ARG 39 12.448 11.644 -0.164 285 HD3 ARG 39 2HD ARG 39 13.123 10.405 -1.204 286 HE ARG 39 HE ARG 39 13.989 12.088 -2.564 287 HH11 ARG 39 1HH1 ARG 39 11.295 13.409 -0.726 288 HH12 ARG 39 2HH1 ARG 39 11.522 15.024 -1.309 289 HH21 ARG 39 1HH2 ARG 39 14.290 14.219 -3.334 290 HH22 ARG 39 2HH2 ARG 39 13.237 15.488 -2.802 291 H ILE 40 H ILE 40 9.416 9.010 -4.904 292 HA ILE 40 HA ILE 40 8.512 11.760 -5.270 293 HB ILE 40 HB ILE 40 9.132 11.361 -7.633 294 HG12 ILE 40 1HG1 ILE 40 10.680 8.925 -6.966 295 HG13 ILE 40 2HG1 ILE 40 8.945 8.703 -7.070 296 HG21 ILE 40 1HG2 ILE 40 10.889 12.447 -6.768 297 HG22 ILE 40 2HG2 ILE 40 10.954 11.406 -5.326 298 HG23 ILE 40 3HG2 ILE 40 11.704 10.866 -6.847 299 HD11 ILE 40 1HD1 ILE 40 9.211 8.590 -9.321 300 HD12 ILE 40 2HD1 ILE 40 9.534 10.340 -9.280 301 HD13 ILE 40 3HD1 ILE 40 10.886 9.184 -9.215 302 H VAL 41 H VAL 41 6.718 12.225 -6.740 303 HA VAL 41 HA VAL 41 4.658 10.194 -6.449 304 HB VAL 41 HB VAL 41 3.137 11.995 -7.032 305 HG11 VAL 41 1HG1 VAL 41 3.496 11.934 -4.731 306 HG12 VAL 41 2HG1 VAL 41 5.183 12.484 -4.875 307 HG13 VAL 41 3HG1 VAL 41 3.848 13.632 -5.135 308 HG21 VAL 41 1HG2 VAL 41 5.650 13.347 -7.858 309 HG22 VAL 41 2HG2 VAL 41 4.002 13.474 -8.521 310 HG23 VAL 41 3HG2 VAL 41 4.439 14.365 -7.043 311 H ARG 42 H ARG 42 6.521 11.998 -8.930 312 HA ARG 42 HA ARG 42 5.219 11.579 -11.155 313 HB2 ARG 42 1HB ARG 42 8.162 11.222 -10.518 314 HB3 ARG 42 2HB ARG 42 7.609 10.919 -12.153 315 HG2 ARG 42 1HG ARG 42 6.413 13.391 -11.245 316 HG3 ARG 42 2HG ARG 42 8.128 13.456 -10.891 317 HD2 ARG 42 1HD ARG 42 8.744 13.169 -13.178 318 HD3 ARG 42 2HD ARG 42 7.182 12.508 -13.617 319 HE ARG 42 HE ARG 42 6.818 15.178 -12.621 320 HH11 ARG 42 1HH1 ARG 42 8.096 13.465 -15.417 321 HH12 ARG 42 2HH1 ARG 42 7.797 14.772 -16.514 322 HH21 ARG 42 1HH2 ARG 42 6.424 16.902 -14.067 323 HH22 ARG 42 2HH2 ARG 42 6.840 16.740 -15.741 324 H GLY 43 H GLY 43 3.894 9.783 -11.521 325 HA2 GLY 43 1HA GLY 43 3.520 7.699 -12.373 326 HA3 GLY 43 2HA GLY 43 5.206 7.283 -12.143 327 H ASN 44 H ASN 44 5.823 7.419 -9.562 328 HA ASN 44 HA ASN 44 4.925 5.243 -8.402 329 HB2 ASN 44 1HB ASN 44 5.297 7.764 -6.724 330 HB3 ASN 44 2HB ASN 44 5.722 6.121 -6.289 331 HD21 ASN 44 1HD2 ASN 44 7.793 5.759 -6.289 332 HD22 ASN 44 2HD2 ASN 44 8.983 6.422 -7.360 333 H GLU 45 H GLU 45 3.072 4.547 -7.231 334 HA GLU 45 HA GLU 45 0.728 5.998 -7.589 335 HB2 GLU 45 1HB GLU 45 1.522 3.504 -6.104 336 HB3 GLU 45 2HB GLU 45 -0.036 4.212 -5.726 337 HG2 GLU 45 1HG GLU 45 0.940 3.325 -8.479 338 HG3 GLU 45 2HG GLU 45 -0.316 2.566 -7.522 339 H ILE 46 H ILE 46 2.605 5.239 -4.563 340 HA ILE 46 HA ILE 46 1.330 7.604 -3.372 341 HB ILE 46 HB ILE 46 2.305 5.094 -2.003 342 HG12 ILE 46 1HG1 ILE 46 -0.565 5.990 -2.220 343 HG13 ILE 46 2HG1 ILE 46 0.168 5.008 -3.473 344 HG21 ILE 46 1HG2 ILE 46 1.117 6.091 -0.026 345 HG22 ILE 46 2HG2 ILE 46 2.602 6.937 -0.524 346 HG23 ILE 46 3HG2 ILE 46 1.009 7.614 -0.941 347 HD11 ILE 46 1HD1 ILE 46 -0.128 4.309 -0.521 348 HD12 ILE 46 2HD1 ILE 46 -0.874 3.488 -1.913 349 HD13 ILE 46 3HD1 ILE 46 0.882 3.367 -1.644 350 H ALA 47 H ALA 47 2.642 9.174 -2.472 351 HA ALA 47 HA ALA 47 5.510 8.580 -2.404 352 HB1 ALA 47 1HB ALA 47 4.277 10.094 -4.403 353 HB2 ALA 47 2HB ALA 47 4.894 11.312 -3.260 354 HB3 ALA 47 3HB ALA 47 6.005 10.119 -3.975 355 H ILE 48 H ILE 48 6.615 9.549 -0.685 356 HA ILE 48 HA ILE 48 4.995 11.299 1.021 357 HB ILE 48 HB ILE 48 6.654 8.938 1.914 358 HG12 ILE 48 1HG1 ILE 48 3.795 9.157 2.643 359 HG13 ILE 48 2HG1 ILE 48 4.105 8.880 0.941 360 HG21 ILE 48 1HG2 ILE 48 5.067 10.869 3.623 361 HG22 ILE 48 2HG2 ILE 48 6.084 9.515 4.169 362 HG23 ILE 48 3HG2 ILE 48 6.831 10.936 3.401 363 HD11 ILE 48 1HD1 ILE 48 5.752 7.014 1.738 364 HD12 ILE 48 2HD1 ILE 48 4.923 7.162 3.306 365 HD13 ILE 48 3HD1 ILE 48 4.005 6.694 1.855 366 H LYS 49 H LYS 49 5.976 13.244 1.053 367 HA LYS 49 HA LYS 49 8.737 13.464 0.357 368 HB2 LYS 49 1HB LYS 49 6.613 15.456 1.179 369 HB3 LYS 49 2HB LYS 49 8.271 15.921 0.858 370 HG2 LYS 49 1HG LYS 49 6.834 14.222 -1.187 371 HG3 LYS 49 2HG LYS 49 6.432 15.925 -1.088 372 HD2 LYS 49 1HD LYS 49 8.364 16.527 -2.124 373 HD3 LYS 49 2HD LYS 49 9.332 15.581 -1.011 374 HE2 LYS 49 1HE LYS 49 9.373 13.715 -2.401 375 HE3 LYS 49 2HE LYS 49 7.779 14.029 -3.058 376 HZ1 LYS 49 1HZ LYS 49 10.057 15.767 -3.666 377 HZ2 LYS 49 2HZ LYS 49 9.725 14.438 -4.555 378 HZ3 LYS 49 3HZ LYS 49 8.637 15.652 -4.464 379 H ASP 50 H ASP 50 9.410 11.914 2.146 380 HA ASP 50 HA ASP 50 9.538 13.343 4.677 381 HB2 ASP 50 1HB ASP 50 8.660 11.236 5.186 382 HB3 ASP 50 2HB ASP 50 9.516 10.444 3.878 383 H ALA 51 H ALA 51 11.561 10.666 3.301 384 HA ALA 51 HA ALA 51 13.691 11.909 2.296 385 HB1 ALA 51 1HB ALA 51 14.459 13.271 3.935 386 HB2 ALA 51 2HB ALA 51 13.517 12.438 5.195 387 HB3 ALA 51 3HB ALA 51 15.087 11.779 4.676 388 H GLY 52 H GLY 52 13.160 9.713 5.150 389 HA2 GLY 52 1HA GLY 52 15.104 7.845 4.569 390 HA3 GLY 52 2HA GLY 52 13.610 7.529 5.428 391 H ILE 53 H ILE 53 12.134 8.563 2.839 392 HA ILE 53 HA ILE 53 12.118 5.934 1.593 393 HB ILE 53 HB ILE 53 10.247 8.290 1.330 394 HG12 ILE 53 1HG1 ILE 53 9.494 5.722 2.664 395 HG13 ILE 53 2HG1 ILE 53 10.504 6.843 3.555 396 HG21 ILE 53 1HG2 ILE 53 10.107 7.066 -0.691 397 HG22 ILE 53 2HG2 ILE 53 10.164 5.504 0.160 398 HG23 ILE 53 3HG2 ILE 53 8.728 6.545 0.306 399 HD11 ILE 53 1HD1 ILE 53 7.685 7.216 2.543 400 HD12 ILE 53 2HD1 ILE 53 8.373 7.607 4.137 401 HD13 ILE 53 3HD1 ILE 53 8.726 8.647 2.736 402 H SER 54 H SER 54 12.547 5.579 -0.610 403 HA SER 54 HA SER 54 13.866 7.852 -1.874 404 HB2 SER 54 1HB SER 54 14.586 4.989 -1.599 405 HB3 SER 54 2HB SER 54 14.765 5.602 -3.232 406 HG SER 54 HG SER 54 16.602 5.834 -1.508 407 H THR 55 H THR 55 13.683 7.936 -4.304 408 HA THR 55 HA THR 55 11.181 8.024 -5.248 409 HB THR 55 HB THR 55 12.256 7.833 -7.506 410 HG1 THR 55 HG1 THR 55 14.325 6.788 -5.714 411 HG21 THR 55 1HG2 THR 55 13.369 9.813 -7.220 412 HG22 THR 55 2HG2 THR 55 13.037 9.652 -5.479 413 HG23 THR 55 3HG2 THR 55 14.568 9.044 -6.153 414 H LYS 56 H LYS 56 13.302 5.106 -5.664 415 HA LYS 56 HA LYS 56 10.810 3.594 -6.024 416 HB2 LYS 56 1HB LYS 56 13.547 3.311 -7.249 417 HB3 LYS 56 2HB LYS 56 12.480 1.926 -7.133 418 HG2 LYS 56 1HG LYS 56 11.278 2.648 -8.913 419 HG3 LYS 56 2HG LYS 56 10.929 4.163 -8.104 420 HD2 LYS 56 1HD LYS 56 13.614 4.451 -8.881 421 HD3 LYS 56 2HD LYS 56 12.897 3.585 -10.226 422 HE2 LYS 56 1HE LYS 56 11.182 5.790 -9.243 423 HE3 LYS 56 2HE LYS 56 12.749 6.346 -9.795 424 HZ1 LYS 56 1HZ LYS 56 10.797 5.975 -11.441 425 HZ2 LYS 56 2HZ LYS 56 12.333 5.649 -11.892 426 HZ3 LYS 56 3HZ LYS 56 11.335 4.433 -11.452 427 H HIS 57 H HIS 57 10.772 3.768 -3.563 428 HA HIS 57 HA HIS 57 12.774 2.410 -2.114 429 HB2 HIS 57 1HB HIS 57 11.349 4.164 -1.154 430 HB3 HIS 57 2HB HIS 57 9.933 3.153 -1.363 431 HD2 HIS 57 HD2 HIS 57 11.079 0.350 -0.042 432 HE1 HIS 57 HE1 HIS 57 11.874 2.754 3.378 433 HE2 HIS 57 HE2 HIS 57 11.515 0.358 2.468 434 H LEU 58 H LEU 58 9.296 1.521 -2.728 435 HA LEU 58 HA LEU 58 10.098 -1.169 -3.338 436 HB2 LEU 58 1HB LEU 58 8.644 -2.146 -1.558 437 HB3 LEU 58 2HB LEU 58 10.162 -1.458 -1.016 438 HG LEU 58 HG LEU 58 9.100 0.418 -0.033 439 HD11 LEU 58 1HD1 LEU 58 6.642 -0.413 -1.582 440 HD12 LEU 58 2HD1 LEU 58 6.588 0.733 -0.221 441 HD13 LEU 58 3HD1 LEU 58 7.548 1.117 -1.670 442 HD21 LEU 58 1HD2 LEU 58 8.168 -2.271 0.592 443 HD22 LEU 58 2HD2 LEU 58 8.701 -0.959 1.670 444 HD23 LEU 58 3HD2 LEU 58 7.014 -1.015 1.104 445 H ARG 59 H ARG 59 7.998 -2.522 -3.773 446 HA ARG 59 HA ARG 59 5.973 -0.691 -4.773 447 HB2 ARG 59 1HB ARG 59 5.867 -1.808 -6.883 448 HB3 ARG 59 2HB ARG 59 7.584 -1.643 -6.573 449 HG2 ARG 59 1HG ARG 59 7.464 -4.007 -5.506 450 HG3 ARG 59 2HG ARG 59 5.865 -4.133 -6.213 451 HD2 ARG 59 1HD ARG 59 6.679 -4.196 -8.408 452 HD3 ARG 59 2HD ARG 59 8.104 -3.251 -8.027 453 HE ARG 59 HE ARG 59 8.336 -5.679 -6.584 454 HH11 ARG 59 1HH1 ARG 59 8.224 -4.632 -9.942 455 HH12 ARG 59 2HH1 ARG 59 9.182 -5.955 -10.519 456 HH21 ARG 59 1HH2 ARG 59 9.599 -7.424 -7.346 457 HH22 ARG 59 2HH2 ARG 59 9.969 -7.554 -9.033 458 H ILE 60 H ILE 60 3.785 -1.650 -4.921 459 HA ILE 60 HA ILE 60 3.550 -4.102 -3.319 460 HB ILE 60 HB ILE 60 2.036 -1.519 -3.228 461 HG12 ILE 60 1HG1 ILE 60 3.039 -3.344 -1.026 462 HG13 ILE 60 2HG1 ILE 60 3.961 -2.009 -1.688 463 HG21 ILE 60 1HG2 ILE 60 0.284 -2.664 -1.887 464 HG22 ILE 60 2HG2 ILE 60 0.292 -3.133 -3.604 465 HG23 ILE 60 3HG2 ILE 60 0.977 -4.228 -2.380 466 HD11 ILE 60 1HD1 ILE 60 1.716 -1.963 0.211 467 HD12 ILE 60 2HD1 ILE 60 2.927 -0.706 -0.141 468 HD13 ILE 60 3HD1 ILE 60 1.469 -0.846 -1.153 469 H GLU 61 H GLU 61 2.090 -5.682 -4.030 470 HA GLU 61 HA GLU 61 0.434 -5.081 -6.274 471 HB2 GLU 61 1HB GLU 61 1.425 -6.928 -7.691 472 HB3 GLU 61 2HB GLU 61 2.455 -5.521 -7.516 473 HG2 GLU 61 1HG GLU 61 2.852 -7.576 -5.402 474 HG3 GLU 61 2HG GLU 61 3.237 -8.136 -7.018 475 H SER 62 H SER 62 -0.943 -7.051 -6.872 476 HA SER 62 HA SER 62 -1.130 -8.808 -4.551 477 HB2 SER 62 1HB SER 62 -3.086 -7.632 -4.235 478 HB3 SER 62 2HB SER 62 -3.196 -7.144 -5.914 479 HG SER 62 HG SER 62 -4.659 -8.990 -4.779 480 H ASP 63 H ASP 63 -1.671 -11.027 -4.991 481 HA ASP 63 HA ASP 63 -2.079 -11.718 -7.755 482 HB2 ASP 63 1HB ASP 63 0.311 -11.874 -7.702 483 HB3 ASP 63 2HB ASP 63 0.317 -12.548 -6.084 484 H SER 64 H SER 64 -3.145 -13.816 -7.936 485 HA SER 64 HA SER 64 -4.492 -15.392 -7.287 486 HB2 SER 64 1HB SER 64 -2.053 -16.006 -6.203 487 HB3 SER 64 2HB SER 64 -3.035 -16.010 -4.752 488 HG SER 64 HG SER 64 -3.367 -18.052 -5.426 489 H GLY 65 H GLY 65 -5.599 -13.022 -6.655 490 HA2 GLY 65 1HA GLY 65 -6.982 -11.902 -5.274 491 HA3 GLY 65 2HA GLY 65 -7.484 -13.495 -4.742 492 H ASN 66 H ASN 66 -4.292 -11.821 -4.343 493 HA ASN 66 HA ASN 66 -4.851 -11.542 -1.534 494 HB2 ASN 66 1HB ASN 66 -2.682 -13.331 -2.702 495 HB3 ASN 66 2HB ASN 66 -2.437 -12.572 -1.141 496 HD21 ASN 66 1HD2 ASN 66 -2.726 -15.383 -1.865 497 HD22 ASN 66 2HD2 ASN 66 -4.048 -16.022 -0.945 498 H TRP 67 H TRP 67 -2.899 -10.293 -0.473 499 HA TRP 67 HA TRP 67 -1.758 -8.497 -2.502 500 HB2 TRP 67 1HB TRP 67 -2.622 -7.989 0.344 501 HB3 TRP 67 2HB TRP 67 -1.617 -6.878 -0.564 502 HD1 TRP 67 HD1 TRP 67 -5.242 -8.019 -0.258 503 HE1 TRP 67 HE1 TRP 67 -6.863 -6.549 -1.733 504 HE3 TRP 67 HE3 TRP 67 -1.572 -5.565 -2.780 505 HZ2 TRP 67 HZ2 TRP 67 -6.438 -4.569 -3.744 506 HZ3 TRP 67 HZ3 TRP 67 -2.260 -3.879 -4.483 507 HH2 TRP 67 HH2 TRP 67 -4.598 -3.366 -4.980 508 H VAL 68 H VAL 68 0.487 -8.136 -2.448 509 HA VAL 68 HA VAL 68 1.962 -9.461 -0.299 510 HB VAL 68 HB VAL 68 3.315 -10.677 -1.731 511 HG11 VAL 68 1HG1 VAL 68 0.532 -10.745 -2.943 512 HG12 VAL 68 2HG1 VAL 68 1.791 -11.976 -3.206 513 HG13 VAL 68 3HG1 VAL 68 1.129 -11.715 -1.575 514 HG21 VAL 68 1HG2 VAL 68 2.686 -10.207 -4.384 515 HG22 VAL 68 2HG2 VAL 68 2.655 -8.578 -3.668 516 HG23 VAL 68 3HG2 VAL 68 4.114 -9.587 -3.522 517 H ILE 69 H ILE 69 4.091 -8.553 0.064 518 HA ILE 69 HA ILE 69 4.424 -5.944 -1.247 519 HB ILE 69 HB ILE 69 3.583 -5.706 1.034 520 HG12 ILE 69 1HG1 ILE 69 6.378 -4.787 1.359 521 HG13 ILE 69 2HG1 ILE 69 5.615 -4.326 -0.150 522 HG21 ILE 69 1HG2 ILE 69 4.593 -7.857 1.875 523 HG22 ILE 69 2HG2 ILE 69 6.146 -6.996 1.990 524 HG23 ILE 69 3HG2 ILE 69 4.754 -6.455 2.959 525 HD11 ILE 69 1HD1 ILE 69 3.705 -3.955 1.996 526 HD12 ILE 69 2HD1 ILE 69 5.235 -3.154 2.425 527 HD13 ILE 69 3HD1 ILE 69 4.406 -2.734 0.907 528 H GLN 70 H GLN 70 6.579 -5.304 -1.730 529 HA GLN 70 HA GLN 70 8.602 -7.299 -1.180 530 HB2 GLN 70 1HB GLN 70 7.591 -7.785 -3.450 531 HB3 GLN 70 2HB GLN 70 8.113 -6.199 -3.982 532 HG2 GLN 70 1HG GLN 70 10.103 -7.137 -4.540 533 HG3 GLN 70 2HG GLN 70 10.431 -7.294 -2.826 534 HE21 GLN 70 1HE2 GLN 70 8.088 -8.901 -4.969 535 HE22 GLN 70 2HE2 GLN 70 8.601 -10.529 -4.677 536 H ASP 71 H ASP 71 10.437 -6.313 -0.436 537 HA ASP 71 HA ASP 71 10.514 -3.464 -0.553 538 HB2 ASP 71 1HB ASP 71 11.237 -4.294 1.528 539 HB3 ASP 71 2HB ASP 71 12.082 -5.652 0.811 540 H LEU 72 H LEU 72 11.285 -2.580 -2.491 541 HA LEU 72 HA LEU 72 13.055 -4.029 -4.174 542 HB2 LEU 72 1HB LEU 72 11.979 -1.212 -4.209 543 HB3 LEU 72 2HB LEU 72 13.075 -1.828 -5.429 544 HG LEU 72 HG LEU 72 11.497 -3.258 -6.344 545 HD11 LEU 72 1HD1 LEU 72 9.892 -3.082 -3.779 546 HD12 LEU 72 2HD1 LEU 72 9.442 -4.008 -5.231 547 HD13 LEU 72 3HD1 LEU 72 10.898 -4.451 -4.308 548 HD21 LEU 72 1HD2 LEU 72 9.657 -1.932 -6.914 549 HD22 LEU 72 2HD2 LEU 72 9.620 -1.131 -5.324 550 HD23 LEU 72 3HD2 LEU 72 10.924 -0.760 -6.477 551 H GLY 73 H GLY 73 14.479 -4.297 -2.026 552 HA2 GLY 73 1HA GLY 73 16.285 -3.644 -0.796 553 HA3 GLY 73 2HA GLY 73 16.955 -3.435 -2.401 554 H SER 74 H SER 74 14.557 -1.585 -0.378 555 HA SER 74 HA SER 74 15.481 0.860 -1.383 556 HB2 SER 74 1HB SER 74 13.973 1.861 0.300 557 HB3 SER 74 2HB SER 74 13.182 0.548 -0.549 558 HG SER 74 HG SER 74 14.023 -0.813 1.369 559 H SER 75 H SER 75 15.823 2.622 0.712 560 HA SER 75 HA SER 75 18.427 1.894 1.578 561 HB2 SER 75 1HB SER 75 16.682 4.354 1.818 562 HB3 SER 75 2HB SER 75 18.132 4.229 2.793 563 HG SER 75 HG SER 75 19.012 5.094 1.014 564 H ASN 76 H ASN 76 19.106 1.365 3.688 565 HA ASN 76 HA ASN 76 18.990 0.872 5.808 566 HB2 ASN 76 1HB ASN 76 16.104 1.873 5.934 567 HB3 ASN 76 2HB ASN 76 17.223 1.709 7.272 568 HD21 ASN 76 1HD2 ASN 76 15.897 3.772 5.021 569 HD22 ASN 76 2HD2 ASN 76 16.995 5.107 5.124 570 H GLY 77 H GLY 77 15.640 0.488 4.401 571 HA2 GLY 77 1HA GLY 77 15.220 -1.894 3.678 572 HA3 GLY 77 2HA GLY 77 15.650 -2.319 5.322 573 H THR 78 H THR 78 13.131 -3.015 4.334 574 HA THR 78 HA THR 78 11.326 -1.006 5.492 575 HB THR 78 HB THR 78 10.675 -3.439 3.755 576 HG1 THR 78 HG1 THR 78 11.321 -2.110 2.090 577 HG21 THR 78 1HG2 THR 78 8.874 -1.987 5.103 578 HG22 THR 78 2HG2 THR 78 9.196 -0.796 3.819 579 HG23 THR 78 3HG2 THR 78 8.582 -2.414 3.400 580 H LEU 79 H LEU 79 9.833 -1.526 7.109 581 HA LEU 79 HA LEU 79 10.445 -4.062 8.461 582 HB2 LEU 79 1HB LEU 79 9.951 -1.300 9.529 583 HB3 LEU 79 2HB LEU 79 9.626 -2.712 10.514 584 HG LEU 79 HG LEU 79 12.316 -2.160 9.238 585 HD11 LEU 79 1HD1 LEU 79 12.889 -1.594 11.727 586 HD12 LEU 79 2HD1 LEU 79 12.178 -0.356 10.663 587 HD13 LEU 79 3HD1 LEU 79 11.153 -1.217 11.837 588 HD21 LEU 79 1HD2 LEU 79 11.960 -3.844 11.673 589 HD22 LEU 79 2HD2 LEU 79 11.462 -4.524 10.105 590 HD23 LEU 79 3HD2 LEU 79 13.138 -3.972 10.345 591 H LEU 80 H LEU 80 8.711 -5.316 9.211 592 HA LEU 80 HA LEU 80 6.058 -4.296 8.480 593 HB2 LEU 80 1HB LEU 80 7.042 -5.916 6.814 594 HB3 LEU 80 2HB LEU 80 6.985 -7.137 8.070 595 HG LEU 80 HG LEU 80 4.570 -6.997 8.190 596 HD11 LEU 80 1HD1 LEU 80 3.580 -5.519 6.160 597 HD12 LEU 80 2HD1 LEU 80 3.753 -4.926 7.829 598 HD13 LEU 80 3HD1 LEU 80 4.987 -4.527 6.610 599 HD21 LEU 80 1HD2 LEU 80 3.998 -7.730 5.864 600 HD22 LEU 80 2HD2 LEU 80 5.644 -7.265 5.372 601 HD23 LEU 80 3HD2 LEU 80 5.406 -8.551 6.579 602 H ASN 81 H ASN 81 5.131 -3.881 10.428 603 HA ASN 81 HA ASN 81 4.267 -4.244 12.384 604 HB2 ASN 81 1HB ASN 81 5.009 -7.175 11.893 605 HB3 ASN 81 2HB ASN 81 4.033 -6.637 13.245 606 HD21 ASN 81 1HD2 ASN 81 4.095 -7.565 9.999 607 HD22 ASN 81 2HD2 ASN 81 2.458 -7.212 9.556 608 H SER 82 H SER 82 6.825 -6.844 12.359 609 HA SER 82 HA SER 82 8.554 -5.246 13.953 610 HB2 SER 82 1HB SER 82 6.758 -7.227 15.206 611 HB3 SER 82 2HB SER 82 8.445 -7.516 15.579 612 HG SER 82 HG SER 82 7.704 -6.082 17.143 613 H ASN 83 H ASN 83 9.437 -5.898 11.657 614 HA ASN 83 HA ASN 83 11.470 -7.704 12.045 615 HB2 ASN 83 1HB ASN 83 9.230 -9.189 11.647 616 HB3 ASN 83 2HB ASN 83 9.617 -8.874 9.967 617 HD21 ASN 83 1HD2 ASN 83 11.026 -10.121 8.988 618 HD22 ASN 83 2HD2 ASN 83 12.150 -11.209 9.733 619 H ALA 84 H ALA 84 13.019 -7.301 10.383 620 HA ALA 84 HA ALA 84 12.297 -5.282 8.474 621 HB1 ALA 84 1HB ALA 84 14.890 -6.066 7.922 622 HB2 ALA 84 2HB ALA 84 14.424 -4.805 9.088 623 HB3 ALA 84 3HB ALA 84 14.731 -6.466 9.648 624 H LEU 85 H LEU 85 11.510 -5.671 6.470 625 HA LEU 85 HA LEU 85 11.211 -8.302 5.526 626 HB2 LEU 85 1HB LEU 85 10.927 -5.652 4.104 627 HB3 LEU 85 2HB LEU 85 10.385 -7.198 3.483 628 HG LEU 85 HG LEU 85 9.366 -5.949 6.048 629 HD11 LEU 85 1HD1 LEU 85 8.911 -4.774 3.738 630 HD12 LEU 85 2HD1 LEU 85 7.721 -6.084 3.551 631 HD13 LEU 85 3HD1 LEU 85 7.612 -4.974 4.938 632 HD21 LEU 85 1HD2 LEU 85 9.243 -8.459 5.810 633 HD22 LEU 85 2HD2 LEU 85 7.689 -7.627 6.060 634 HD23 LEU 85 3HD2 LEU 85 8.143 -8.195 4.435 635 H ASP 86 H ASP 86 11.929 -8.662 3.019 636 HA ASP 86 HA ASP 86 14.747 -7.953 2.891 637 HB2 ASP 86 1HB ASP 86 13.798 -10.509 3.498 638 HB3 ASP 86 2HB ASP 86 14.043 -10.606 1.766 639 HA PRO 87 HA PRO 87 13.649 -7.173 -1.284 640 HB2 PRO 87 1HB PRO 87 16.081 -7.270 -2.528 641 HB3 PRO 87 2HB PRO 87 15.520 -5.875 -1.627 642 HG2 PRO 87 1HG PRO 87 17.530 -7.899 -0.850 643 HG3 PRO 87 2HG PRO 87 17.266 -6.301 -0.181 644 HD2 PRO 87 1HD PRO 87 16.480 -8.801 0.985 645 HD3 PRO 87 2HD PRO 87 16.115 -7.199 1.595 646 H GLU 88 H GLU 88 15.634 -9.994 -0.731 647 HA GLU 88 HA GLU 88 14.640 -11.110 -3.196 648 HB2 GLU 88 1HB GLU 88 16.614 -12.168 -1.125 649 HB3 GLU 88 2HB GLU 88 16.174 -13.032 -2.585 650 HG2 GLU 88 1HG GLU 88 16.844 -10.751 -3.790 651 HG3 GLU 88 2HG GLU 88 17.732 -10.451 -2.309 652 H THR 89 H THR 89 12.729 -10.523 -1.041 653 HA THR 89 HA THR 89 11.552 -13.154 -0.862 654 HB THR 89 HB THR 89 12.155 -11.561 1.681 655 HG1 THR 89 HG1 THR 89 13.953 -12.944 1.800 656 HG21 THR 89 1HG2 THR 89 10.204 -13.336 1.533 657 HG22 THR 89 2HG2 THR 89 11.523 -14.525 1.414 658 HG23 THR 89 3HG2 THR 89 11.387 -13.488 2.854 659 H SER 90 H SER 90 9.315 -13.113 -0.673 660 HA SER 90 HA SER 90 8.205 -10.422 -0.531 661 HB2 SER 90 1HB SER 90 6.518 -11.116 -2.247 662 HB3 SER 90 2HB SER 90 8.155 -11.092 -2.872 663 HG SER 90 HG SER 90 7.473 -13.569 -1.784 664 H VAL 91 H VAL 91 6.508 -10.214 0.919 665 HA VAL 91 HA VAL 91 5.479 -12.726 2.041 666 HB VAL 91 HB VAL 91 5.507 -10.016 3.364 667 HG11 VAL 91 1HG1 VAL 91 5.602 -11.769 5.382 668 HG12 VAL 91 2HG1 VAL 91 4.069 -11.256 4.637 669 HG13 VAL 91 3HG1 VAL 91 4.810 -12.806 4.171 670 HG21 VAL 91 1HG2 VAL 91 7.826 -10.694 2.764 671 HG22 VAL 91 2HG2 VAL 91 7.545 -10.630 4.520 672 HG23 VAL 91 3HG2 VAL 91 7.592 -12.201 3.683 673 H ASN 92 H ASN 92 3.164 -12.550 2.869 674 HA ASN 92 HA ASN 92 1.661 -11.202 0.802 675 HB2 ASN 92 1HB ASN 92 -0.220 -12.650 1.555 676 HB3 ASN 92 2HB ASN 92 1.202 -13.618 1.224 677 HD21 ASN 92 1HD2 ASN 92 -1.222 -13.783 3.075 678 HD22 ASN 92 2HD2 ASN 92 -0.576 -14.215 4.623 679 H LEU 93 H LEU 93 0.869 -9.164 1.347 680 HA LEU 93 HA LEU 93 1.004 -8.007 3.806 681 HB2 LEU 93 1HB LEU 93 -0.780 -7.530 1.434 682 HB3 LEU 93 2HB LEU 93 -0.905 -6.542 2.876 683 HG LEU 93 HG LEU 93 1.651 -6.895 1.289 684 HD11 LEU 93 1HD1 LEU 93 0.460 -5.732 -0.262 685 HD12 LEU 93 2HD1 LEU 93 -0.645 -5.026 0.942 686 HD13 LEU 93 3HD1 LEU 93 0.999 -4.370 0.750 687 HD21 LEU 93 1HD2 LEU 93 1.585 -4.473 2.769 688 HD22 LEU 93 2HD2 LEU 93 1.111 -5.789 3.869 689 HD23 LEU 93 3HD2 LEU 93 2.652 -5.880 2.984 690 H GLY 94 H GLY 94 -0.577 -7.521 5.474 691 HA2 GLY 94 1HA GLY 94 -2.890 -9.336 5.546 692 HA3 GLY 94 2HA GLY 94 -1.716 -9.388 6.846 693 H ASP 95 H ASP 95 -4.568 -8.623 7.007 694 HA ASP 95 HA ASP 95 -4.784 -5.849 7.111 695 HB2 ASP 95 1HB ASP 95 -6.861 -6.905 7.044 696 HB3 ASP 95 2HB ASP 95 -6.349 -8.214 8.091 697 H GLY 96 H GLY 96 -3.923 -4.460 8.664 698 HA2 GLY 96 1HA GLY 96 -3.585 -3.749 10.850 699 HA3 GLY 96 2HA GLY 96 -3.665 -5.404 11.422 700 H ASP 97 H ASP 97 -1.768 -4.899 8.522 701 HA ASP 97 HA ASP 97 0.579 -5.554 10.036 702 HB2 ASP 97 1HB ASP 97 0.021 -5.242 7.053 703 HB3 ASP 97 2HB ASP 97 1.615 -5.613 7.678 704 H VAL 98 H VAL 98 1.960 -3.925 10.753 705 HA VAL 98 HA VAL 98 1.612 -1.263 9.663 706 HB VAL 98 HB VAL 98 2.948 -2.482 12.054 707 HG11 VAL 98 1HG1 VAL 98 4.656 -1.025 11.823 708 HG12 VAL 98 2HG1 VAL 98 3.777 -0.018 10.647 709 HG13 VAL 98 3HG1 VAL 98 3.473 0.178 12.390 710 HG21 VAL 98 1HG2 VAL 98 0.722 -1.960 12.517 711 HG22 VAL 98 2HG2 VAL 98 1.597 -0.527 13.109 712 HG23 VAL 98 3HG2 VAL 98 0.759 -0.473 11.539 713 H ILE 99 H ILE 99 2.909 -0.378 8.134 714 HA ILE 99 HA ILE 99 5.369 -1.854 7.517 715 HB ILE 99 HB ILE 99 3.717 -0.052 5.744 716 HG12 ILE 99 1HG1 ILE 99 3.898 -3.079 5.777 717 HG13 ILE 99 2HG1 ILE 99 2.540 -2.142 6.367 718 HG21 ILE 99 1HG2 ILE 99 6.332 -0.467 5.448 719 HG22 ILE 99 2HG2 ILE 99 5.742 -1.960 4.679 720 HG23 ILE 99 3HG2 ILE 99 5.215 -0.374 4.065 721 HD11 ILE 99 1HD1 ILE 99 3.477 -2.555 3.533 722 HD12 ILE 99 2HD1 ILE 99 1.825 -2.586 4.194 723 HD13 ILE 99 3HD1 ILE 99 2.652 -1.031 3.939 724 H LYS 100 H LYS 100 6.961 -0.918 8.741 725 HA LYS 100 HA LYS 100 6.993 1.990 8.901 726 HB2 LYS 100 1HB LYS 100 8.101 -0.253 10.509 727 HB3 LYS 100 2HB LYS 100 9.074 1.202 10.430 728 HG2 LYS 100 1HG LYS 100 7.506 2.492 11.560 729 HG3 LYS 100 2HG LYS 100 6.142 1.606 10.908 730 HD2 LYS 100 1HD LYS 100 6.013 0.573 12.930 731 HD3 LYS 100 2HD LYS 100 7.430 -0.337 12.443 732 HE2 LYS 100 1HE LYS 100 8.926 1.275 13.514 733 HE3 LYS 100 2HE LYS 100 7.603 2.384 13.817 734 HZ1 LYS 100 1HZ LYS 100 7.111 1.286 15.645 735 HZ2 LYS 100 2HZ LYS 100 7.034 -0.155 14.882 736 HZ3 LYS 100 3HZ LYS 100 8.462 0.388 15.458 737 H LEU 101 H LEU 101 7.855 2.938 7.116 738 HA LEU 101 HA LEU 101 10.430 1.852 6.220 739 HB2 LEU 101 1HB LEU 101 9.870 2.301 3.950 740 HB3 LEU 101 2HB LEU 101 8.647 1.258 4.648 741 HG LEU 101 HG LEU 101 8.135 4.207 4.621 742 HD11 LEU 101 1HD1 LEU 101 7.502 4.322 2.380 743 HD12 LEU 101 2HD1 LEU 101 9.051 3.447 2.338 744 HD13 LEU 101 3HD1 LEU 101 7.520 2.553 2.179 745 HD21 LEU 101 1HD2 LEU 101 5.948 2.545 3.787 746 HD22 LEU 101 2HD2 LEU 101 6.679 1.871 5.264 747 HD23 LEU 101 3HD2 LEU 101 6.109 3.557 5.242 748 H GLY 102 H GLY 102 11.828 3.530 5.155 749 HA2 GLY 102 1HA GLY 102 12.718 5.605 5.010 750 HA3 GLY 102 2HA GLY 102 11.195 6.294 5.534 751 H GLU 103 H GLU 103 11.718 7.653 7.217 752 HA GLU 103 HA GLU 103 13.604 6.655 9.172 753 HB2 GLU 103 1HB GLU 103 12.347 9.425 8.958 754 HB3 GLU 103 2HB GLU 103 13.699 8.974 9.977 755 HG2 GLU 103 1HG GLU 103 15.034 8.389 7.937 756 HG3 GLU 103 2HG GLU 103 13.683 8.859 6.924 757 H TYR 104 H TYR 104 10.507 8.572 9.302 758 HA TYR 104 HA TYR 104 9.669 6.802 11.494 759 HB2 TYR 104 1HB TYR 104 9.509 9.857 11.122 760 HB3 TYR 104 2HB TYR 104 8.642 9.018 12.392 761 HD1 TYR 104 HD2 TYR 104 10.027 7.671 14.105 762 HD2 TYR 104 HD1 TYR 104 11.738 10.553 11.446 763 HE1 TYR 104 HE2 TYR 104 12.064 7.864 15.614 764 HE2 TYR 104 HE1 TYR 104 13.770 10.737 12.964 765 HH TYR 104 HH TYR 104 14.501 10.308 15.047 766 H THR 105 H THR 105 8.944 6.286 8.843 767 HA THR 105 HA THR 105 6.189 7.326 8.739 768 HB THR 105 HB THR 105 8.252 6.601 6.623 769 HG1 THR 105 HG1 THR 105 7.886 8.818 7.473 770 HG21 THR 105 1HG2 THR 105 6.002 7.319 5.203 771 HG22 THR 105 2HG2 THR 105 6.526 5.632 5.421 772 HG23 THR 105 3HG2 THR 105 5.276 6.321 6.485 773 H SER 106 H SER 106 4.559 5.953 9.086 774 HA SER 106 HA SER 106 5.187 3.129 8.738 775 HB2 SER 106 1HB SER 106 3.542 4.369 10.989 776 HB3 SER 106 2HB SER 106 3.736 2.648 10.724 777 HG SER 106 HG SER 106 5.456 4.447 11.945 778 H ILE 107 H ILE 107 3.535 1.876 7.765 779 HA ILE 107 HA ILE 107 1.084 3.352 7.105 780 HB ILE 107 HB ILE 107 2.505 1.453 5.244 781 HG12 ILE 107 1HG1 ILE 107 2.590 4.478 5.119 782 HG13 ILE 107 2HG1 ILE 107 3.878 3.503 5.797 783 HG21 ILE 107 1HG2 ILE 107 -0.056 2.843 5.233 784 HG22 ILE 107 2HG2 ILE 107 0.926 3.216 3.795 785 HG23 ILE 107 3HG2 ILE 107 0.542 1.525 4.197 786 HD11 ILE 107 1HD1 ILE 107 3.907 2.208 3.569 787 HD12 ILE 107 2HD1 ILE 107 2.855 3.494 2.930 788 HD13 ILE 107 3HD1 ILE 107 4.490 3.889 3.511 789 H LEU 108 H LEU 108 -0.767 2.325 7.676 790 HA LEU 108 HA LEU 108 -0.466 -0.396 8.681 791 HB2 LEU 108 1HB LEU 108 -1.533 1.701 9.887 792 HB3 LEU 108 2HB LEU 108 -2.955 1.224 8.983 793 HG LEU 108 HG LEU 108 -1.432 -0.627 10.835 794 HD11 LEU 108 1HD1 LEU 108 -2.266 0.691 12.456 795 HD12 LEU 108 2HD1 LEU 108 -3.485 1.426 11.387 796 HD13 LEU 108 3HD1 LEU 108 -3.782 -0.175 12.107 797 HD21 LEU 108 1HD2 LEU 108 -2.642 -2.228 9.889 798 HD22 LEU 108 2HD2 LEU 108 -4.101 -1.448 10.545 799 HD23 LEU 108 3HD2 LEU 108 -3.538 -1.046 8.905 800 H VAL 109 H VAL 109 -1.419 -2.158 7.731 801 HA VAL 109 HA VAL 109 -2.742 -1.619 5.185 802 HB VAL 109 HB VAL 109 -1.440 -4.069 6.381 803 HG11 VAL 109 1HG1 VAL 109 -3.568 -4.111 4.607 804 HG12 VAL 109 2HG1 VAL 109 -2.147 -4.214 3.541 805 HG13 VAL 109 3HG1 VAL 109 -2.371 -5.408 4.841 806 HG21 VAL 109 1HG2 VAL 109 -0.697 -2.365 3.978 807 HG22 VAL 109 2HG2 VAL 109 0.101 -2.325 5.569 808 HG23 VAL 109 3HG2 VAL 109 0.182 -3.796 4.569 809 H ASN 110 H ASN 110 -4.924 -1.598 5.141 810 HA ASN 110 HA ASN 110 -6.250 -3.323 7.083 811 HB2 ASN 110 1HB ASN 110 -6.631 -0.448 6.420 812 HB3 ASN 110 2HB ASN 110 -8.128 -1.359 6.401 813 HD21 ASN 110 1HD2 ASN 110 -5.201 -1.870 8.337 814 HD22 ASN 110 2HD2 ASN 110 -5.919 -1.648 9.897 815 H PHE 111 H PHE 111 -7.599 -4.849 6.097 816 HA PHE 111 HA PHE 111 -7.923 -4.683 3.237 817 HB2 PHE 111 1HB PHE 111 -8.583 -6.658 5.489 818 HB3 PHE 111 2HB PHE 111 -9.123 -6.964 3.850 819 HD1 PHE 111 HD1 PHE 111 -6.686 -5.921 2.389 820 HD2 PHE 111 HD2 PHE 111 -7.072 -8.434 5.787 821 HE1 PHE 111 HE1 PHE 111 -4.473 -6.980 1.858 822 HE2 PHE 111 HE2 PHE 111 -4.859 -9.492 5.255 823 HZ PHE 111 HZ PHE 111 -3.586 -8.753 3.297 824 H VAL 112 H VAL 112 -9.602 -3.578 2.352 825 HA VAL 112 HA VAL 112 -11.991 -3.202 3.968 826 HB VAL 112 HB VAL 112 -12.590 -1.636 2.113 827 HG11 VAL 112 1HG1 VAL 112 -11.602 -0.739 4.108 828 HG12 VAL 112 2HG1 VAL 112 -9.971 -1.226 3.589 829 HG13 VAL 112 3HG1 VAL 112 -10.835 0.063 2.716 830 HG21 VAL 112 1HG2 VAL 112 -11.267 -1.244 0.288 831 HG22 VAL 112 2HG2 VAL 112 -9.769 -1.703 1.132 832 HG23 VAL 112 3HG2 VAL 112 -10.883 -2.963 0.547 833 H SER 113 H SER 113 -13.799 -4.411 3.708 834 HA SER 113 HA SER 113 -14.520 -5.365 1.155 835 HB2 SER 113 1HB SER 113 -13.511 -7.385 1.186 836 HB3 SER 113 2HB SER 113 -12.875 -7.090 2.792 837 HG SER 113 HG SER 113 -14.358 -8.391 3.621 838 H GLY 114 H GLY 114 -14.893 -6.464 4.613 839 HA2 GLY 114 1HA GLY 114 -17.096 -5.246 5.444 840 HA3 GLY 114 2HA GLY 114 -17.792 -6.389 4.312 841 HA PRO 115 HA PRO 115 -16.947 -8.443 8.372 842 HB2 PRO 115 1HB PRO 115 -19.454 -8.498 9.457 843 HB3 PRO 115 2HB PRO 115 -18.253 -7.294 9.879 844 HG2 PRO 115 1HG PRO 115 -20.643 -7.005 8.164 845 HG3 PRO 115 2HG PRO 115 -19.687 -5.754 8.934 846 HD2 PRO 115 1HD PRO 115 -19.625 -6.502 6.165 847 HD3 PRO 115 2HD PRO 115 -18.588 -5.333 6.959 848 H SER 116 H SER 116 -17.291 -10.638 8.957 849 HA SER 116 HA SER 116 -18.482 -11.994 6.699 850 HB2 SER 116 1HB SER 116 -16.197 -12.459 8.336 851 HB3 SER 116 2HB SER 116 -17.310 -13.765 8.692 852 HG SER 116 HG SER 116 -16.993 -14.607 6.740 853 H SER 117 H SER 117 -20.570 -12.717 6.856 854 HA SER 117 HA SER 117 -21.417 -13.782 9.396 855 HB2 SER 117 1HB SER 117 -22.762 -11.448 7.989 856 HB3 SER 117 2HB SER 117 -23.648 -12.482 9.092 857 HG SER 117 HG SER 117 -22.906 -10.956 10.470 858 H GLY 118 H GLY 118 -22.904 -15.498 9.143 859 HA2 GLY 118 1HA GLY 118 -24.738 -16.022 7.280 860 HA3 GLY 118 2HA GLY 118 -23.270 -16.421 6.410 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -26.322 -18.355 -15.220 2 HA2 GLY 1 1HA GLY 1 -24.526 -17.247 -14.067 3 HA3 GLY 1 2HA GLY 1 -23.705 -17.035 -15.600 4 H SER 2 H SER 2 -25.967 -15.689 -13.346 5 HA SER 2 HA SER 2 -26.220 -13.400 -15.079 6 HB2 SER 2 1HB SER 2 -28.290 -15.086 -15.176 7 HB3 SER 2 2HB SER 2 -28.720 -14.320 -13.660 8 HG SER 2 HG SER 2 -29.301 -13.405 -16.048 9 H SER 3 H SER 3 -26.188 -11.452 -13.903 10 HA SER 3 HA SER 3 -25.887 -10.119 -12.219 11 HB2 SER 3 1HB SER 3 -28.117 -11.749 -11.454 12 HB3 SER 3 2HB SER 3 -27.152 -11.504 -10.012 13 HG SER 3 HG SER 3 -27.651 -9.403 -9.979 14 H GLY 4 H GLY 4 -24.643 -9.797 -10.160 15 HA2 GLY 4 1HA GLY 4 -22.455 -11.605 -9.990 16 HA3 GLY 4 2HA GLY 4 -22.760 -10.201 -8.987 17 H SER 5 H SER 5 -21.738 -12.747 -8.037 18 HA SER 5 HA SER 5 -24.041 -13.787 -6.602 19 HB2 SER 5 1HB SER 5 -22.710 -15.767 -6.166 20 HB3 SER 5 2HB SER 5 -22.583 -15.393 -7.874 21 HG SER 5 HG SER 5 -20.495 -15.856 -7.070 22 H SER 6 H SER 6 -24.334 -12.418 -4.829 23 HA SER 6 HA SER 6 -22.513 -10.954 -3.548 24 HB2 SER 6 1HB SER 6 -24.003 -11.054 -1.562 25 HB3 SER 6 2HB SER 6 -24.912 -10.863 -3.048 26 HG SER 6 HG SER 6 -24.819 -13.040 -1.253 27 H GLY 7 H GLY 7 -20.693 -11.328 -2.322 28 HA2 GLY 7 1HA GLY 7 -20.477 -13.489 -0.494 29 HA3 GLY 7 2HA GLY 7 -19.605 -13.851 -1.971 30 H MET 8 H MET 8 -17.454 -13.543 -1.514 31 HA MET 8 HA MET 8 -16.733 -10.871 -0.671 32 HB2 MET 8 1HB MET 8 -16.813 -12.434 1.361 33 HB3 MET 8 2HB MET 8 -15.584 -13.421 0.594 34 HG2 MET 8 1HG MET 8 -14.204 -11.177 0.440 35 HG3 MET 8 2HG MET 8 -15.330 -10.580 1.643 36 HE1 MET 8 1HE MET 8 -11.923 -11.697 1.471 37 HE2 MET 8 2HE MET 8 -11.801 -13.291 2.253 38 HE3 MET 8 3HE MET 8 -12.648 -13.126 0.697 39 H VAL 9 H VAL 9 -14.910 -10.093 -1.727 40 HA VAL 9 HA VAL 9 -13.290 -12.074 -3.156 41 HB VAL 9 HB VAL 9 -13.235 -10.538 -5.085 42 HG11 VAL 9 1HG1 VAL 9 -15.324 -11.214 -6.025 43 HG12 VAL 9 2HG1 VAL 9 -14.828 -12.493 -4.891 44 HG13 VAL 9 3HG1 VAL 9 -16.086 -11.325 -4.421 45 HG21 VAL 9 1HG2 VAL 9 -13.988 -8.446 -4.935 46 HG22 VAL 9 2HG2 VAL 9 -15.634 -9.053 -4.634 47 HG23 VAL 9 3HG2 VAL 9 -14.532 -8.755 -3.269 48 H THR 10 H THR 10 -11.225 -10.827 -4.065 49 HA THR 10 HA THR 10 -9.628 -10.141 -2.017 50 HB THR 10 HB THR 10 -9.586 -8.889 -4.813 51 HG1 THR 10 HG1 THR 10 -8.719 -10.941 -5.369 52 HG21 THR 10 1HG2 THR 10 -7.816 -8.218 -2.979 53 HG22 THR 10 2HG2 THR 10 -7.235 -9.891 -3.158 54 HG23 THR 10 3HG2 THR 10 -7.215 -8.787 -4.554 55 HA PRO 11 HA PRO 11 -11.303 -6.418 -0.539 56 HB2 PRO 11 1HB PRO 11 -9.749 -6.224 1.701 57 HB3 PRO 11 2HB PRO 11 -11.238 -7.147 1.644 58 HG2 PRO 11 1HG PRO 11 -8.449 -8.127 1.631 59 HG3 PRO 11 2HG PRO 11 -9.920 -9.006 2.000 60 HD2 PRO 11 1HD PRO 11 -8.405 -9.139 -0.432 61 HD3 PRO 11 2HD PRO 11 -9.936 -9.927 -0.106 62 H SER 12 H SER 12 -10.941 -4.253 -0.780 63 HA SER 12 HA SER 12 -8.798 -3.606 -2.373 64 HB2 SER 12 1HB SER 12 -11.067 -2.290 -1.227 65 HB3 SER 12 2HB SER 12 -9.674 -1.293 -0.858 66 HG SER 12 HG SER 12 -10.987 -1.378 -3.160 67 H LEU 13 H LEU 13 -6.870 -2.274 -1.921 68 HA LEU 13 HA LEU 13 -5.778 -2.919 0.691 69 HB2 LEU 13 1HB LEU 13 -4.686 -3.278 -1.649 70 HB3 LEU 13 2HB LEU 13 -4.290 -1.574 -1.536 71 HG LEU 13 HG LEU 13 -2.891 -3.784 -0.453 72 HD11 LEU 13 1HD1 LEU 13 -2.144 -1.040 0.397 73 HD12 LEU 13 2HD1 LEU 13 -1.174 -2.315 -0.380 74 HD13 LEU 13 3HD1 LEU 13 -2.288 -1.326 -1.354 75 HD21 LEU 13 1HD2 LEU 13 -4.173 -2.059 1.671 76 HD22 LEU 13 2HD2 LEU 13 -4.171 -3.834 1.532 77 HD23 LEU 13 3HD2 LEU 13 -2.668 -2.971 1.938 78 H ARG 14 H ARG 14 -6.175 -1.519 2.318 79 HA ARG 14 HA ARG 14 -6.386 1.278 1.574 80 HB2 ARG 14 1HB ARG 14 -8.324 0.268 2.803 81 HB3 ARG 14 2HB ARG 14 -7.263 -0.159 4.131 82 HG2 ARG 14 1HG ARG 14 -6.661 2.406 4.176 83 HG3 ARG 14 2HG ARG 14 -8.116 2.610 3.221 84 HD2 ARG 14 1HD ARG 14 -8.745 0.844 5.422 85 HD3 ARG 14 2HD ARG 14 -7.895 2.231 6.073 86 HE ARG 14 HE ARG 14 -9.761 3.301 4.269 87 HH11 ARG 14 1HH1 ARG 14 -9.879 1.323 7.177 88 HH12 ARG 14 2HH1 ARG 14 -11.441 1.897 7.658 89 HH21 ARG 14 1HH2 ARG 14 -11.821 4.059 4.903 90 HH22 ARG 14 2HH2 ARG 14 -12.553 3.463 6.355 91 H LEU 15 H LEU 15 -4.443 2.352 1.813 92 HA LEU 15 HA LEU 15 -2.612 1.424 3.875 93 HB2 LEU 15 1HB LEU 15 -2.295 3.342 1.565 94 HB3 LEU 15 2HB LEU 15 -1.040 3.004 2.740 95 HG LEU 15 HG LEU 15 -2.314 0.874 1.005 96 HD11 LEU 15 1HD1 LEU 15 -1.304 2.188 -0.607 97 HD12 LEU 15 2HD1 LEU 15 0.012 2.700 0.477 98 HD13 LEU 15 3HD1 LEU 15 -0.004 1.047 -0.184 99 HD21 LEU 15 1HD2 LEU 15 0.409 0.593 2.168 100 HD22 LEU 15 2HD2 LEU 15 -0.973 0.469 3.282 101 HD23 LEU 15 3HD2 LEU 15 -0.856 -0.626 1.883 102 H VAL 16 H VAL 16 -2.881 2.251 5.876 103 HA VAL 16 HA VAL 16 -3.924 4.979 6.065 104 HB VAL 16 HB VAL 16 -3.670 2.836 8.183 105 HG11 VAL 16 1HG1 VAL 16 -5.381 4.277 9.354 106 HG12 VAL 16 2HG1 VAL 16 -3.759 4.995 9.208 107 HG13 VAL 16 3HG1 VAL 16 -5.068 5.526 8.126 108 HG21 VAL 16 1HG2 VAL 16 -5.742 2.032 7.685 109 HG22 VAL 16 2HG2 VAL 16 -6.331 3.601 7.084 110 HG23 VAL 16 3HG2 VAL 16 -5.292 2.587 6.054 111 H PHE 17 H PHE 17 -2.588 6.631 6.602 112 HA PHE 17 HA PHE 17 0.155 5.979 7.193 113 HB2 PHE 17 1HB PHE 17 -1.571 8.355 6.450 114 HB3 PHE 17 2HB PHE 17 -0.086 8.723 7.305 115 HD1 PHE 17 HD2 PHE 17 2.079 7.588 6.313 116 HD2 PHE 17 HD1 PHE 17 -1.516 8.200 4.143 117 HE1 PHE 17 HE2 PHE 17 3.356 7.447 4.157 118 HE2 PHE 17 HE1 PHE 17 -0.239 8.058 1.987 119 HZ PHE 17 HZ PHE 17 2.182 7.683 2.020 120 H VAL 18 H VAL 18 0.064 5.078 9.328 121 HA VAL 18 HA VAL 18 -1.196 6.547 11.426 122 HB VAL 18 HB VAL 18 0.035 4.823 12.829 123 HG11 VAL 18 1HG1 VAL 18 -1.638 3.499 10.701 124 HG12 VAL 18 2HG1 VAL 18 -1.622 3.228 12.460 125 HG13 VAL 18 3HG1 VAL 18 -2.352 4.708 11.794 126 HG21 VAL 18 1HG2 VAL 18 1.552 3.445 11.936 127 HG22 VAL 18 2HG2 VAL 18 0.471 3.021 10.587 128 HG23 VAL 18 3HG2 VAL 18 1.508 4.463 10.477 129 H LYS 19 H LYS 19 2.011 6.383 9.917 130 HA LYS 19 HA LYS 19 2.822 8.571 11.669 131 HB2 LYS 19 1HB LYS 19 4.514 6.109 11.145 132 HB3 LYS 19 2HB LYS 19 5.054 7.559 11.965 133 HG2 LYS 19 1HG LYS 19 2.751 6.998 13.381 134 HG3 LYS 19 2HG LYS 19 3.267 5.381 12.945 135 HD2 LYS 19 1HD LYS 19 5.429 5.681 14.002 136 HD3 LYS 19 2HD LYS 19 5.182 7.407 14.175 137 HE2 LYS 19 1HE LYS 19 3.037 6.645 15.583 138 HE3 LYS 19 2HE LYS 19 3.931 5.146 15.746 139 HZ1 LYS 19 1HZ LYS 19 5.088 7.769 16.376 140 HZ2 LYS 19 2HZ LYS 19 4.365 6.817 17.488 141 HZ3 LYS 19 3HZ LYS 19 5.716 6.303 16.727 142 H GLY 20 H GLY 20 4.975 9.554 10.722 143 HA2 GLY 20 1HA GLY 20 6.264 9.976 8.796 144 HA3 GLY 20 2HA GLY 20 4.983 9.333 7.788 145 HA PRO 21 HA PRO 21 4.532 13.862 7.826 146 HB2 PRO 21 1HB PRO 21 4.738 14.293 5.135 147 HB3 PRO 21 2HB PRO 21 6.095 14.433 6.235 148 HG2 PRO 21 1HG PRO 21 5.484 12.272 4.313 149 HG3 PRO 21 2HG PRO 21 7.007 12.647 5.095 150 HD2 PRO 21 1HD PRO 21 5.205 10.522 5.776 151 HD3 PRO 21 2HD PRO 21 6.669 10.969 6.629 152 H ARG 22 H ARG 22 3.050 11.273 6.146 153 HA ARG 22 HA ARG 22 0.763 12.944 5.605 154 HB2 ARG 22 1HB ARG 22 1.695 10.209 4.732 155 HB3 ARG 22 2HB ARG 22 -0.030 10.517 4.703 156 HG2 ARG 22 1HG ARG 22 0.127 11.914 2.899 157 HG3 ARG 22 2HG ARG 22 1.525 12.747 3.548 158 HD2 ARG 22 1HD ARG 22 2.953 11.529 2.259 159 HD3 ARG 22 2HD ARG 22 2.250 10.016 2.795 160 HE ARG 22 HE ARG 22 0.921 9.961 0.863 161 HH11 ARG 22 1HH1 ARG 22 2.261 13.189 1.269 162 HH12 ARG 22 2HH1 ARG 22 1.725 13.746 -0.281 163 HH21 ARG 22 1HH2 ARG 22 0.213 10.695 -1.183 164 HH22 ARG 22 2HH2 ARG 22 0.552 12.317 -1.685 165 H GLU 23 H GLU 23 1.939 11.495 8.280 166 HA GLU 23 HA GLU 23 0.301 9.661 9.247 167 HB2 GLU 23 1HB GLU 23 2.133 10.566 10.560 168 HB3 GLU 23 2HB GLU 23 1.369 12.139 10.658 169 HG2 GLU 23 1HG GLU 23 -0.429 10.034 11.636 170 HG3 GLU 23 2HG GLU 23 1.097 10.005 12.497 171 H GLY 24 H GLY 24 -1.886 9.413 9.308 172 HA2 GLY 24 1HA GLY 24 -3.948 10.132 10.263 173 HA3 GLY 24 2HA GLY 24 -3.517 11.796 9.919 174 H ASP 25 H ASP 25 -2.483 9.805 7.340 175 HA ASP 25 HA ASP 25 -4.817 10.644 5.834 176 HB2 ASP 25 1HB ASP 25 -1.936 10.039 5.164 177 HB3 ASP 25 2HB ASP 25 -3.134 9.808 3.906 178 H ALA 26 H ALA 26 -5.467 9.011 4.007 179 HA ALA 26 HA ALA 26 -4.742 6.270 4.467 180 HB1 ALA 26 1HB ALA 26 -7.669 6.957 4.788 181 HB2 ALA 26 2HB ALA 26 -6.807 5.471 5.252 182 HB3 ALA 26 3HB ALA 26 -6.575 6.964 6.192 183 H LEU 27 H LEU 27 -4.864 5.160 2.549 184 HA LEU 27 HA LEU 27 -6.403 6.470 0.416 185 HB2 LEU 27 1HB LEU 27 -3.790 4.992 0.094 186 HB3 LEU 27 2HB LEU 27 -4.698 5.822 -1.154 187 HG LEU 27 HG LEU 27 -3.844 7.454 1.188 188 HD11 LEU 27 1HD1 LEU 27 -1.856 6.675 -0.958 189 HD12 LEU 27 2HD1 LEU 27 -1.585 7.724 0.455 190 HD13 LEU 27 3HD1 LEU 27 -1.882 5.983 0.682 191 HD21 LEU 27 1HD2 LEU 27 -4.554 9.041 -0.188 192 HD22 LEU 27 2HD2 LEU 27 -3.201 8.659 -1.279 193 HD23 LEU 27 3HD2 LEU 27 -4.776 7.862 -1.503 194 H ASP 28 H ASP 28 -6.806 4.794 -1.457 195 HA ASP 28 HA ASP 28 -7.144 2.141 -0.390 196 HB2 ASP 28 1HB ASP 28 -9.523 2.034 -0.960 197 HB3 ASP 28 2HB ASP 28 -9.260 3.349 0.168 198 H TYR 29 H TYR 29 -7.269 0.554 -2.133 199 HA TYR 29 HA TYR 29 -7.368 1.577 -4.854 200 HB2 TYR 29 1HB TYR 29 -5.122 -0.133 -3.614 201 HB3 TYR 29 2HB TYR 29 -5.206 0.314 -5.306 202 HD1 TYR 29 HD2 TYR 29 -4.647 1.607 -1.881 203 HD2 TYR 29 HD1 TYR 29 -4.481 2.478 -6.066 204 HE1 TYR 29 HE2 TYR 29 -3.314 3.718 -1.396 205 HE2 TYR 29 HE1 TYR 29 -3.149 4.586 -5.568 206 HH TYR 29 HH TYR 29 -2.120 5.745 -4.053 207 H LYS 30 H LYS 30 -7.954 -0.021 -6.408 208 HA LYS 30 HA LYS 30 -9.493 -2.134 -5.322 209 HB2 LYS 30 1HB LYS 30 -10.175 -2.539 -7.545 210 HB3 LYS 30 2HB LYS 30 -9.987 -0.802 -7.412 211 HG2 LYS 30 1HG LYS 30 -8.009 -0.772 -8.697 212 HG3 LYS 30 2HG LYS 30 -7.621 -2.442 -8.335 213 HD2 LYS 30 1HD LYS 30 -9.061 -3.287 -9.965 214 HD3 LYS 30 2HD LYS 30 -10.176 -1.942 -9.839 215 HE2 LYS 30 1HE LYS 30 -8.559 -0.459 -11.011 216 HE3 LYS 30 2HE LYS 30 -7.391 -1.763 -11.087 217 HZ1 LYS 30 1HZ LYS 30 -9.895 -2.558 -12.120 218 HZ2 LYS 30 2HZ LYS 30 -9.330 -1.242 -12.905 219 HZ3 LYS 30 3HZ LYS 30 -8.425 -2.599 -12.830 220 HA PRO 31 HA PRO 31 -6.631 -5.361 -5.383 221 HB2 PRO 31 1HB PRO 31 -8.147 -7.541 -6.032 222 HB3 PRO 31 2HB PRO 31 -8.120 -6.835 -4.428 223 HG2 PRO 31 1HG PRO 31 -10.219 -6.647 -6.500 224 HG3 PRO 31 2HG PRO 31 -10.341 -6.326 -4.782 225 HD2 PRO 31 1HD PRO 31 -10.180 -4.381 -6.884 226 HD3 PRO 31 2HD PRO 31 -10.185 -4.063 -5.161 227 H GLY 32 H GLY 32 -4.960 -6.059 -6.583 228 HA2 GLY 32 1HA GLY 32 -4.127 -7.121 -8.493 229 HA3 GLY 32 2HA GLY 32 -5.576 -6.694 -9.382 230 H SER 33 H SER 33 -4.578 -4.042 -7.458 231 HA SER 33 HA SER 33 -3.344 -2.869 -9.818 232 HB2 SER 33 1HB SER 33 -5.112 -1.829 -7.640 233 HB3 SER 33 2HB SER 33 -3.870 -0.728 -8.205 234 HG SER 33 HG SER 33 -5.127 -1.975 -10.336 235 H THR 34 H THR 34 -1.149 -2.565 -9.745 236 HA THR 34 HA THR 34 0.266 -3.017 -7.302 237 HB THR 34 HB THR 34 1.083 -2.154 -10.126 238 HG1 THR 34 HG1 THR 34 0.172 -4.319 -9.822 239 HG21 THR 34 1HG2 THR 34 3.354 -2.669 -9.529 240 HG22 THR 34 2HG2 THR 34 2.777 -1.624 -8.208 241 HG23 THR 34 3HG2 THR 34 2.862 -3.387 -7.976 242 H ILE 35 H ILE 35 0.645 -1.616 -5.715 243 HA ILE 35 HA ILE 35 0.440 1.226 -6.400 244 HB ILE 35 HB ILE 35 0.073 -0.248 -3.792 245 HG12 ILE 35 1HG1 ILE 35 -2.127 1.416 -4.661 246 HG13 ILE 35 2HG1 ILE 35 -1.703 0.277 -5.924 247 HG21 ILE 35 1HG2 ILE 35 1.154 2.212 -3.917 248 HG22 ILE 35 2HG2 ILE 35 -0.572 2.641 -3.986 249 HG23 ILE 35 3HG2 ILE 35 0.053 1.685 -2.621 250 HD11 ILE 35 1HD1 ILE 35 -1.661 -1.526 -4.044 251 HD12 ILE 35 2HD1 ILE 35 -2.515 -0.315 -3.058 252 HD13 ILE 35 3HD1 ILE 35 -3.248 -0.913 -4.566 253 H ARG 36 H ARG 36 2.504 1.710 -7.143 254 HA ARG 36 HA ARG 36 4.745 0.718 -5.712 255 HB2 ARG 36 1HB ARG 36 4.614 2.871 -7.884 256 HB3 ARG 36 2HB ARG 36 6.064 2.039 -7.359 257 HG2 ARG 36 1HG ARG 36 5.516 0.072 -8.462 258 HG3 ARG 36 2HG ARG 36 3.793 0.284 -8.220 259 HD2 ARG 36 1HD ARG 36 3.577 1.172 -10.299 260 HD3 ARG 36 2HD ARG 36 4.719 2.442 -9.906 261 HE ARG 36 HE ARG 36 6.422 1.240 -10.996 262 HH11 ARG 36 1HH1 ARG 36 3.617 -0.833 -10.531 263 HH12 ARG 36 2HH1 ARG 36 4.231 -2.104 -11.534 264 HH21 ARG 36 1HH2 ARG 36 7.232 -0.437 -12.320 265 HH22 ARG 36 2HH2 ARG 36 6.301 -1.878 -12.559 266 H VAL 37 H VAL 37 5.138 1.582 -3.681 267 HA VAL 37 HA VAL 37 4.544 4.388 -3.234 268 HB VAL 37 HB VAL 37 5.608 2.342 -1.288 269 HG11 VAL 37 1HG1 VAL 37 5.372 5.014 -0.958 270 HG12 VAL 37 2HG1 VAL 37 3.739 4.503 -0.468 271 HG13 VAL 37 3HG1 VAL 37 5.167 3.838 0.362 272 HG21 VAL 37 1HG2 VAL 37 2.746 2.873 -2.136 273 HG22 VAL 37 2HG2 VAL 37 3.639 1.334 -2.189 274 HG23 VAL 37 3HG2 VAL 37 3.186 2.047 -0.622 275 H GLY 38 H GLY 38 6.054 5.914 -3.627 276 HA2 GLY 38 1HA GLY 38 8.873 5.207 -3.113 277 HA3 GLY 38 2HA GLY 38 8.396 5.955 -4.625 278 H ARG 39 H ARG 39 9.816 7.777 -4.064 279 HA ARG 39 HA ARG 39 8.769 9.380 -1.886 280 HB2 ARG 39 1HB ARG 39 11.152 9.059 -1.683 281 HB3 ARG 39 2HB ARG 39 11.422 9.368 -3.386 282 HG2 ARG 39 1HG ARG 39 10.910 11.729 -3.134 283 HG3 ARG 39 2HG ARG 39 10.288 11.489 -1.514 284 HD2 ARG 39 1HD ARG 39 12.370 11.611 -0.587 285 HD3 ARG 39 2HD ARG 39 13.038 10.478 -1.745 286 HE ARG 39 HE ARG 39 12.539 13.041 -2.999 287 HH11 ARG 39 1HH1 ARG 39 14.782 11.371 -0.863 288 HH12 ARG 39 2HH1 ARG 39 16.124 12.388 -1.267 289 HH21 ARG 39 1HH2 ARG 39 14.310 14.383 -3.533 290 HH22 ARG 39 2HH2 ARG 39 15.854 14.113 -2.795 291 H ILE 40 H ILE 40 9.489 9.321 -5.400 292 HA ILE 40 HA ILE 40 8.458 12.032 -5.675 293 HB ILE 40 HB ILE 40 9.193 11.729 -8.048 294 HG12 ILE 40 1HG1 ILE 40 10.653 9.271 -7.070 295 HG13 ILE 40 2HG1 ILE 40 9.096 9.168 -7.867 296 HG21 ILE 40 1HG2 ILE 40 11.725 11.618 -7.298 297 HG22 ILE 40 2HG2 ILE 40 10.686 12.998 -6.871 298 HG23 ILE 40 3HG2 ILE 40 11.007 11.721 -5.673 299 HD11 ILE 40 1HD1 ILE 40 9.945 9.773 -9.926 300 HD12 ILE 40 2HD1 ILE 40 11.146 10.882 -9.221 301 HD13 ILE 40 3HD1 ILE 40 11.447 9.127 -9.222 302 H VAL 41 H VAL 41 6.561 12.536 -6.803 303 HA VAL 41 HA VAL 41 4.552 10.570 -6.702 304 HB VAL 41 HB VAL 41 3.185 12.307 -7.796 305 HG11 VAL 41 1HG1 VAL 41 2.927 12.981 -5.685 306 HG12 VAL 41 2HG1 VAL 41 4.595 12.509 -5.283 307 HG13 VAL 41 3HG1 VAL 41 4.261 14.133 -5.932 308 HG21 VAL 41 1HG2 VAL 41 4.354 13.553 -9.293 309 HG22 VAL 41 2HG2 VAL 41 4.591 14.609 -7.879 310 HG23 VAL 41 3HG2 VAL 41 5.866 13.463 -8.358 311 H ARG 42 H ARG 42 6.570 11.951 -9.351 312 HA ARG 42 HA ARG 42 5.309 10.973 -11.490 313 HB2 ARG 42 1HB ARG 42 8.300 11.102 -10.893 314 HB3 ARG 42 2HB ARG 42 7.692 10.692 -12.484 315 HG2 ARG 42 1HG ARG 42 6.221 12.938 -12.048 316 HG3 ARG 42 2HG ARG 42 7.596 13.319 -11.030 317 HD2 ARG 42 1HD ARG 42 9.147 12.976 -12.936 318 HD3 ARG 42 2HD ARG 42 7.817 12.479 -13.962 319 HE ARG 42 HE ARG 42 7.125 15.025 -12.934 320 HH11 ARG 42 1HH1 ARG 42 9.612 13.632 -14.997 321 HH12 ARG 42 2HH1 ARG 42 9.854 15.088 -15.904 322 HH21 ARG 42 1HH2 ARG 42 7.444 16.945 -14.130 323 HH22 ARG 42 2HH2 ARG 42 8.613 16.985 -15.408 324 H GLY 43 H GLY 43 4.899 8.953 -12.405 325 HA2 GLY 43 1HA GLY 43 4.634 6.707 -12.394 326 HA3 GLY 43 2HA GLY 43 6.386 6.707 -12.421 327 H ASN 44 H ASN 44 3.622 7.060 -10.088 328 HA ASN 44 HA ASN 44 4.596 4.980 -8.503 329 HB2 ASN 44 1HB ASN 44 5.236 7.826 -7.669 330 HB3 ASN 44 2HB ASN 44 4.841 6.660 -6.422 331 HD21 ASN 44 1HD2 ASN 44 7.307 8.073 -7.937 332 HD22 ASN 44 2HD2 ASN 44 8.537 6.856 -7.854 333 H GLU 45 H GLU 45 2.797 4.236 -7.307 334 HA GLU 45 HA GLU 45 0.364 5.579 -7.684 335 HB2 GLU 45 1HB GLU 45 1.044 2.997 -7.210 336 HB3 GLU 45 2HB GLU 45 0.599 3.456 -5.578 337 HG2 GLU 45 1HG GLU 45 -1.532 2.966 -6.248 338 HG3 GLU 45 2HG GLU 45 -1.495 4.558 -6.979 339 H ILE 46 H ILE 46 2.778 5.433 -5.068 340 HA ILE 46 HA ILE 46 1.301 7.547 -3.715 341 HB ILE 46 HB ILE 46 2.133 4.938 -2.457 342 HG12 ILE 46 1HG1 ILE 46 -0.529 6.387 -2.447 343 HG13 ILE 46 2HG1 ILE 46 -0.112 5.098 -3.558 344 HG21 ILE 46 1HG2 ILE 46 1.747 7.638 -1.227 345 HG22 ILE 46 2HG2 ILE 46 1.191 6.196 -0.344 346 HG23 ILE 46 3HG2 ILE 46 2.900 6.345 -0.819 347 HD11 ILE 46 1HD1 ILE 46 -0.477 4.958 -0.553 348 HD12 ILE 46 2HD1 ILE 46 -1.220 3.950 -1.818 349 HD13 ILE 46 3HD1 ILE 46 0.495 3.729 -1.397 350 H ALA 47 H ALA 47 2.636 9.097 -2.786 351 HA ALA 47 HA ALA 47 5.509 8.504 -2.864 352 HB1 ALA 47 1HB ALA 47 4.001 10.381 -4.493 353 HB2 ALA 47 2HB ALA 47 5.185 11.239 -3.478 354 HB3 ALA 47 3HB ALA 47 5.724 9.946 -4.575 355 H ILE 48 H ILE 48 6.674 9.292 -1.112 356 HA ILE 48 HA ILE 48 5.160 10.955 0.772 357 HB ILE 48 HB ILE 48 6.749 8.460 1.362 358 HG12 ILE 48 1HG1 ILE 48 3.994 8.941 2.391 359 HG13 ILE 48 2HG1 ILE 48 4.153 8.616 0.677 360 HG21 ILE 48 1HG2 ILE 48 5.663 10.519 3.302 361 HG22 ILE 48 2HG2 ILE 48 6.336 8.931 3.742 362 HG23 ILE 48 3HG2 ILE 48 7.376 10.159 2.980 363 HD11 ILE 48 1HD1 ILE 48 3.860 6.583 2.276 364 HD12 ILE 48 2HD1 ILE 48 5.133 6.479 1.036 365 HD13 ILE 48 3HD1 ILE 48 5.560 6.864 2.721 366 H LYS 49 H LYS 49 6.214 12.792 1.316 367 HA LYS 49 HA LYS 49 9.002 12.984 0.481 368 HB2 LYS 49 1HB LYS 49 6.804 14.975 0.997 369 HB3 LYS 49 2HB LYS 49 8.479 15.486 1.030 370 HG2 LYS 49 1HG LYS 49 7.640 13.781 -1.298 371 HG3 LYS 49 2HG LYS 49 7.004 15.413 -1.253 372 HD2 LYS 49 1HD LYS 49 9.138 16.404 -1.411 373 HD3 LYS 49 2HD LYS 49 9.957 15.003 -0.750 374 HE2 LYS 49 1HE LYS 49 10.429 14.370 -2.879 375 HE3 LYS 49 2HE LYS 49 8.724 14.022 -3.092 376 HZ1 LYS 49 1HZ LYS 49 9.139 16.772 -3.323 377 HZ2 LYS 49 2HZ LYS 49 10.190 16.003 -4.309 378 HZ3 LYS 49 3HZ LYS 49 8.586 15.728 -4.451 379 H ASP 50 H ASP 50 9.595 11.497 2.316 380 HA ASP 50 HA ASP 50 9.711 13.057 4.778 381 HB2 ASP 50 1HB ASP 50 8.428 11.148 5.332 382 HB3 ASP 50 2HB ASP 50 9.331 10.104 4.253 383 H ALA 51 H ALA 51 11.419 12.068 2.094 384 HA ALA 51 HA ALA 51 13.604 12.170 1.645 385 HB1 ALA 51 1HB ALA 51 13.517 13.369 4.151 386 HB2 ALA 51 2HB ALA 51 14.689 12.047 4.376 387 HB3 ALA 51 3HB ALA 51 14.949 13.260 3.098 388 H GLY 52 H GLY 52 13.249 10.285 4.741 389 HA2 GLY 52 1HA GLY 52 14.993 8.278 4.329 390 HA3 GLY 52 2HA GLY 52 13.435 8.058 5.102 391 H ILE 53 H ILE 53 11.974 8.864 2.537 392 HA ILE 53 HA ILE 53 12.083 6.219 1.352 393 HB ILE 53 HB ILE 53 10.157 8.525 1.062 394 HG12 ILE 53 1HG1 ILE 53 9.275 5.934 2.174 395 HG13 ILE 53 2HG1 ILE 53 10.436 6.795 3.165 396 HG21 ILE 53 1HG2 ILE 53 9.775 7.564 -0.953 397 HG22 ILE 53 2HG2 ILE 53 10.446 5.990 -0.462 398 HG23 ILE 53 3HG2 ILE 53 8.801 6.452 0.038 399 HD11 ILE 53 1HD1 ILE 53 8.798 8.185 3.870 400 HD12 ILE 53 2HD1 ILE 53 8.552 8.736 2.195 401 HD13 ILE 53 3HD1 ILE 53 7.631 7.346 2.819 402 H SER 54 H SER 54 12.461 5.823 -0.878 403 HA SER 54 HA SER 54 13.818 8.061 -2.167 404 HB2 SER 54 1HB SER 54 14.962 5.693 -1.473 405 HB3 SER 54 2HB SER 54 14.359 5.250 -3.057 406 HG SER 54 HG SER 54 16.236 6.136 -3.670 407 H THR 55 H THR 55 13.894 7.587 -4.740 408 HA THR 55 HA THR 55 11.348 7.906 -5.713 409 HB THR 55 HB THR 55 12.515 7.273 -7.929 410 HG1 THR 55 HG1 THR 55 14.816 6.796 -7.570 411 HG21 THR 55 1HG2 THR 55 14.253 9.061 -6.164 412 HG22 THR 55 2HG2 THR 55 14.017 9.167 -7.925 413 HG23 THR 55 3HG2 THR 55 12.694 9.614 -6.821 414 H LYS 56 H LYS 56 13.285 4.886 -6.256 415 HA LYS 56 HA LYS 56 10.717 3.482 -6.367 416 HB2 LYS 56 1HB LYS 56 13.436 2.891 -7.550 417 HB3 LYS 56 2HB LYS 56 12.169 1.683 -7.469 418 HG2 LYS 56 1HG LYS 56 11.302 2.540 -9.379 419 HG3 LYS 56 2HG LYS 56 10.885 3.992 -8.492 420 HD2 LYS 56 1HD LYS 56 13.615 4.344 -8.973 421 HD3 LYS 56 2HD LYS 56 13.076 3.537 -10.432 422 HE2 LYS 56 1HE LYS 56 11.362 5.789 -9.404 423 HE3 LYS 56 2HE LYS 56 12.905 6.222 -10.112 424 HZ1 LYS 56 1HZ LYS 56 10.833 5.936 -11.587 425 HZ2 LYS 56 2HZ LYS 56 12.282 5.414 -12.129 426 HZ3 LYS 56 3HZ LYS 56 11.200 4.346 -11.533 427 H HIS 57 H HIS 57 10.918 3.935 -3.868 428 HA HIS 57 HA HIS 57 12.799 2.533 -2.386 429 HB2 HIS 57 1HB HIS 57 11.368 4.353 -1.533 430 HB3 HIS 57 2HB HIS 57 9.963 3.312 -1.650 431 HD2 HIS 57 HD2 HIS 57 11.016 0.631 -0.137 432 HE1 HIS 57 HE1 HIS 57 12.110 3.237 3.043 433 HE2 HIS 57 HE2 HIS 57 11.575 0.804 2.342 434 H LEU 58 H LEU 58 9.301 1.648 -2.872 435 HA LEU 58 HA LEU 58 10.093 -1.086 -3.344 436 HB2 LEU 58 1HB LEU 58 8.549 -1.906 -1.538 437 HB3 LEU 58 2HB LEU 58 10.095 -1.260 -1.024 438 HG LEU 58 HG LEU 58 9.044 0.821 -0.315 439 HD11 LEU 58 1HD1 LEU 58 7.292 1.190 -1.830 440 HD12 LEU 58 2HD1 LEU 58 6.551 -0.395 -1.501 441 HD13 LEU 58 3HD1 LEU 58 6.488 0.890 -0.270 442 HD21 LEU 58 1HD2 LEU 58 7.250 -0.449 1.293 443 HD22 LEU 58 2HD2 LEU 58 8.270 -1.809 0.766 444 HD23 LEU 58 3HD2 LEU 58 9.008 -0.400 1.567 445 H ARG 59 H ARG 59 7.939 -2.437 -3.673 446 HA ARG 59 HA ARG 59 5.953 -0.663 -4.825 447 HB2 ARG 59 1HB ARG 59 7.013 -1.289 -6.825 448 HB3 ARG 59 2HB ARG 59 7.532 -2.839 -6.193 449 HG2 ARG 59 1HG ARG 59 5.251 -3.736 -6.349 450 HG3 ARG 59 2HG ARG 59 4.613 -2.163 -6.784 451 HD2 ARG 59 1HD ARG 59 5.414 -2.278 -8.967 452 HD3 ARG 59 2HD ARG 59 6.825 -3.215 -8.520 453 HE ARG 59 HE ARG 59 4.385 -4.738 -8.116 454 HH11 ARG 59 1HH1 ARG 59 6.661 -3.676 -10.581 455 HH12 ARG 59 2HH1 ARG 59 6.311 -4.990 -11.653 456 HH21 ARG 59 1HH2 ARG 59 3.922 -6.473 -9.530 457 HH22 ARG 59 2HH2 ARG 59 4.742 -6.592 -11.051 458 H ILE 60 H ILE 60 3.787 -1.452 -4.664 459 HA ILE 60 HA ILE 60 3.549 -3.975 -3.177 460 HB ILE 60 HB ILE 60 2.079 -1.367 -2.974 461 HG12 ILE 60 1HG1 ILE 60 3.096 -3.145 -0.757 462 HG13 ILE 60 2HG1 ILE 60 4.154 -2.019 -1.584 463 HG21 ILE 60 1HG2 ILE 60 0.396 -3.165 -3.264 464 HG22 ILE 60 2HG2 ILE 60 1.092 -4.004 -1.858 465 HG23 ILE 60 3HG2 ILE 60 0.346 -2.401 -1.658 466 HD11 ILE 60 1HD1 ILE 60 2.054 -1.487 0.406 467 HD12 ILE 60 2HD1 ILE 60 3.408 -0.455 -0.113 468 HD13 ILE 60 3HD1 ILE 60 1.889 -0.464 -1.041 469 H GLU 61 H GLU 61 2.124 -5.536 -3.920 470 HA GLU 61 HA GLU 61 0.360 -4.815 -6.067 471 HB2 GLU 61 1HB GLU 61 1.213 -6.596 -7.582 472 HB3 GLU 61 2HB GLU 61 2.406 -5.343 -7.305 473 HG2 GLU 61 1HG GLU 61 3.790 -7.120 -6.853 474 HG3 GLU 61 2HG GLU 61 3.065 -7.026 -5.260 475 H SER 62 H SER 62 -1.016 -6.841 -6.713 476 HA SER 62 HA SER 62 -1.294 -8.508 -4.335 477 HB2 SER 62 1HB SER 62 -3.230 -7.252 -4.142 478 HB3 SER 62 2HB SER 62 -3.319 -6.914 -5.860 479 HG SER 62 HG SER 62 -4.650 -8.567 -6.095 480 H ASP 63 H ASP 63 -1.739 -10.738 -4.706 481 HA ASP 63 HA ASP 63 -2.128 -11.533 -7.449 482 HB2 ASP 63 1HB ASP 63 0.298 -12.142 -5.762 483 HB3 ASP 63 2HB ASP 63 -0.302 -13.413 -6.809 484 H SER 64 H SER 64 -2.858 -13.870 -7.549 485 HA SER 64 HA SER 64 -4.297 -15.370 -6.866 486 HB2 SER 64 1HB SER 64 -1.924 -15.542 -5.100 487 HB3 SER 64 2HB SER 64 -3.338 -16.342 -4.443 488 HG SER 64 HG SER 64 -1.790 -17.547 -6.003 489 H GLY 65 H GLY 65 -5.676 -13.219 -6.423 490 HA2 GLY 65 1HA GLY 65 -7.063 -12.029 -5.082 491 HA3 GLY 65 2HA GLY 65 -7.499 -13.621 -4.495 492 H ASN 66 H ASN 66 -4.396 -11.785 -4.105 493 HA ASN 66 HA ASN 66 -5.027 -11.356 -1.341 494 HB2 ASN 66 1HB ASN 66 -2.848 -13.245 -2.307 495 HB3 ASN 66 2HB ASN 66 -2.620 -12.362 -0.811 496 HD21 ASN 66 1HD2 ASN 66 -3.168 -15.253 -1.629 497 HD22 ASN 66 2HD2 ASN 66 -4.431 -15.787 -0.571 498 H TRP 67 H TRP 67 -3.026 -10.104 -0.302 499 HA TRP 67 HA TRP 67 -1.883 -8.398 -2.405 500 HB2 TRP 67 1HB TRP 67 -2.711 -7.796 0.432 501 HB3 TRP 67 2HB TRP 67 -1.677 -6.731 -0.500 502 HD1 TRP 67 HD1 TRP 67 -5.332 -7.835 -0.234 503 HE1 TRP 67 HE1 TRP 67 -6.914 -6.332 -1.719 504 HE3 TRP 67 HE3 TRP 67 -1.597 -5.381 -2.658 505 HZ2 TRP 67 HZ2 TRP 67 -6.435 -4.331 -3.696 506 HZ3 TRP 67 HZ3 TRP 67 -2.240 -3.668 -4.351 507 HH2 TRP 67 HH2 TRP 67 -4.563 -3.129 -4.884 508 H VAL 68 H VAL 68 0.374 -7.936 -2.297 509 HA VAL 68 HA VAL 68 1.862 -9.264 -0.171 510 HB VAL 68 HB VAL 68 3.269 -10.444 -1.646 511 HG11 VAL 68 1HG1 VAL 68 1.295 -11.699 -1.225 512 HG12 VAL 68 2HG1 VAL 68 0.355 -10.761 -2.411 513 HG13 VAL 68 3HG1 VAL 68 1.630 -11.873 -2.964 514 HG21 VAL 68 1HG2 VAL 68 2.110 -10.032 -4.235 515 HG22 VAL 68 2HG2 VAL 68 2.529 -8.450 -3.537 516 HG23 VAL 68 3HG2 VAL 68 3.773 -9.713 -3.689 517 H ILE 69 H ILE 69 4.071 -8.415 0.046 518 HA ILE 69 HA ILE 69 4.355 -5.808 -1.277 519 HB ILE 69 HB ILE 69 3.638 -5.526 1.028 520 HG12 ILE 69 1HG1 ILE 69 6.487 -4.722 1.221 521 HG13 ILE 69 2HG1 ILE 69 5.649 -4.207 -0.230 522 HG21 ILE 69 1HG2 ILE 69 5.422 -6.172 2.811 523 HG22 ILE 69 2HG2 ILE 69 4.269 -7.397 2.230 524 HG23 ILE 69 3HG2 ILE 69 5.935 -7.374 1.602 525 HD11 ILE 69 1HD1 ILE 69 4.654 -3.745 2.620 526 HD12 ILE 69 2HD1 ILE 69 5.439 -2.525 1.589 527 HD13 ILE 69 3HD1 ILE 69 3.850 -3.184 1.134 528 H GLN 70 H GLN 70 6.497 -5.183 -1.852 529 HA GLN 70 HA GLN 70 8.500 -7.240 -1.445 530 HB2 GLN 70 1HB GLN 70 7.457 -7.647 -3.676 531 HB3 GLN 70 2HB GLN 70 7.847 -6.008 -4.159 532 HG2 GLN 70 1HG GLN 70 10.082 -6.480 -4.469 533 HG3 GLN 70 2HG GLN 70 10.158 -7.555 -3.087 534 HE21 GLN 70 1HE2 GLN 70 8.935 -9.636 -3.311 535 HE22 GLN 70 2HE2 GLN 70 9.034 -10.479 -4.821 536 H ASP 71 H ASP 71 10.437 -6.364 -0.807 537 HA ASP 71 HA ASP 71 10.572 -3.511 -0.724 538 HB2 ASP 71 1HB ASP 71 11.361 -4.598 1.245 539 HB3 ASP 71 2HB ASP 71 12.254 -5.801 0.336 540 H LEU 72 H LEU 72 11.209 -2.545 -2.677 541 HA LEU 72 HA LEU 72 12.852 -3.907 -4.544 542 HB2 LEU 72 1HB LEU 72 11.808 -1.088 -4.334 543 HB3 LEU 72 2HB LEU 72 12.847 -1.613 -5.644 544 HG LEU 72 HG LEU 72 11.226 -2.998 -6.573 545 HD11 LEU 72 1HD1 LEU 72 10.653 -4.324 -4.652 546 HD12 LEU 72 2HD1 LEU 72 9.787 -2.958 -3.908 547 HD13 LEU 72 3HD1 LEU 72 9.156 -3.710 -5.393 548 HD21 LEU 72 1HD2 LEU 72 10.576 -0.749 -6.978 549 HD22 LEU 72 2HD2 LEU 72 9.093 -1.658 -6.600 550 HD23 LEU 72 3HD2 LEU 72 9.827 -0.602 -5.370 551 H GLY 73 H GLY 73 14.402 -4.332 -2.512 552 HA2 GLY 73 1HA GLY 73 16.305 -3.806 -1.377 553 HA3 GLY 73 2HA GLY 73 16.866 -3.464 -3.001 554 H SER 74 H SER 74 14.349 -1.615 -1.205 555 HA SER 74 HA SER 74 15.141 0.822 -1.891 556 HB2 SER 74 1HB SER 74 13.155 0.061 -0.414 557 HB3 SER 74 2HB SER 74 14.243 0.214 0.951 558 HG SER 74 HG SER 74 14.008 2.340 0.904 559 H SER 75 H SER 75 16.252 2.603 -0.555 560 HA SER 75 HA SER 75 18.866 1.932 -0.139 561 HB2 SER 75 1HB SER 75 17.209 4.278 0.052 562 HB3 SER 75 2HB SER 75 18.217 4.226 1.485 563 HG SER 75 HG SER 75 19.291 5.339 -0.245 564 H ASN 76 H ASN 76 16.658 3.120 2.501 565 HA ASN 76 HA ASN 76 18.281 2.025 4.486 566 HB2 ASN 76 1HB ASN 76 15.319 2.788 4.672 567 HB3 ASN 76 2HB ASN 76 16.433 2.663 6.019 568 HD21 ASN 76 1HD2 ASN 76 15.677 4.868 6.387 569 HD22 ASN 76 2HD2 ASN 76 16.481 6.191 5.611 570 H GLY 77 H GLY 77 14.909 1.190 3.350 571 HA2 GLY 77 1HA GLY 77 14.735 -1.271 2.780 572 HA3 GLY 77 2HA GLY 77 15.298 -1.536 4.418 573 H THR 78 H THR 78 12.910 -2.664 3.885 574 HA THR 78 HA THR 78 10.948 -0.783 5.026 575 HB THR 78 HB THR 78 10.376 -3.246 3.308 576 HG1 THR 78 HG1 THR 78 11.149 -1.928 1.709 577 HG21 THR 78 1HG2 THR 78 8.774 -0.669 3.534 578 HG22 THR 78 2HG2 THR 78 8.223 -2.273 2.994 579 HG23 THR 78 3HG2 THR 78 8.541 -1.976 4.720 580 H LEU 79 H LEU 79 9.527 -1.541 6.656 581 HA LEU 79 HA LEU 79 10.452 -4.036 7.899 582 HB2 LEU 79 1HB LEU 79 9.939 -1.339 9.111 583 HB3 LEU 79 2HB LEU 79 9.752 -2.795 10.068 584 HG LEU 79 HG LEU 79 12.302 -2.094 8.594 585 HD11 LEU 79 1HD1 LEU 79 12.314 -0.365 10.078 586 HD12 LEU 79 2HD1 LEU 79 11.286 -1.214 11.257 587 HD13 LEU 79 3HD1 LEU 79 13.009 -1.637 11.111 588 HD21 LEU 79 1HD2 LEU 79 13.289 -3.898 9.585 589 HD22 LEU 79 2HD2 LEU 79 12.191 -3.879 10.986 590 HD23 LEU 79 3HD2 LEU 79 11.629 -4.518 9.422 591 H LEU 80 H LEU 80 8.853 -5.403 8.743 592 HA LEU 80 HA LEU 80 6.101 -4.488 8.300 593 HB2 LEU 80 1HB LEU 80 7.105 -6.045 6.513 594 HB3 LEU 80 2HB LEU 80 7.010 -7.298 7.734 595 HG LEU 80 HG LEU 80 4.633 -7.174 7.832 596 HD11 LEU 80 1HD1 LEU 80 3.449 -5.493 6.242 597 HD12 LEU 80 2HD1 LEU 80 4.041 -4.937 7.825 598 HD13 LEU 80 3HD1 LEU 80 4.974 -4.582 6.351 599 HD21 LEU 80 1HD2 LEU 80 4.328 -8.325 5.949 600 HD22 LEU 80 2HD2 LEU 80 4.679 -6.911 4.927 601 HD23 LEU 80 3HD2 LEU 80 6.012 -7.914 5.547 602 H ASN 81 H ASN 81 5.201 -4.296 10.280 603 HA ASN 81 HA ASN 81 4.493 -4.833 12.261 604 HB2 ASN 81 1HB ASN 81 5.722 -7.583 12.332 605 HB3 ASN 81 2HB ASN 81 4.118 -7.079 12.827 606 HD21 ASN 81 1HD2 ASN 81 2.481 -6.808 11.310 607 HD22 ASN 81 2HD2 ASN 81 2.543 -7.504 9.725 608 H SER 82 H SER 82 7.480 -6.915 11.975 609 HA SER 82 HA SER 82 9.044 -5.104 13.448 610 HB2 SER 82 1HB SER 82 7.641 -7.291 14.907 611 HB3 SER 82 2HB SER 82 9.356 -7.167 15.243 612 HG SER 82 HG SER 82 9.074 -4.973 15.880 613 H ASN 83 H ASN 83 9.499 -6.111 10.970 614 HA ASN 83 HA ASN 83 11.870 -7.591 11.387 615 HB2 ASN 83 1HB ASN 83 9.443 -9.052 10.742 616 HB3 ASN 83 2HB ASN 83 10.507 -9.122 9.351 617 HD21 ASN 83 1HD2 ASN 83 9.773 -11.299 10.982 618 HD22 ASN 83 2HD2 ASN 83 11.187 -11.938 11.753 619 H ALA 84 H ALA 84 13.290 -7.151 9.620 620 HA ALA 84 HA ALA 84 12.355 -5.220 7.724 621 HB1 ALA 84 1HB ALA 84 14.927 -6.362 8.669 622 HB2 ALA 84 2HB ALA 84 14.903 -5.857 6.962 623 HB3 ALA 84 3HB ALA 84 14.506 -4.686 8.242 624 H LEU 85 H LEU 85 11.431 -5.668 5.792 625 HA LEU 85 HA LEU 85 11.075 -8.294 4.916 626 HB2 LEU 85 1HB LEU 85 10.812 -5.686 3.414 627 HB3 LEU 85 2HB LEU 85 10.197 -7.235 2.873 628 HG LEU 85 HG LEU 85 9.326 -5.884 5.440 629 HD11 LEU 85 1HD1 LEU 85 7.733 -5.960 2.878 630 HD12 LEU 85 2HD1 LEU 85 7.441 -5.002 4.349 631 HD13 LEU 85 3HD1 LEU 85 8.816 -4.609 3.289 632 HD21 LEU 85 1HD2 LEU 85 8.055 -7.668 5.865 633 HD22 LEU 85 2HD2 LEU 85 7.509 -7.794 4.175 634 HD23 LEU 85 3HD2 LEU 85 9.058 -8.520 4.666 635 H ASP 86 H ASP 86 11.713 -8.889 2.493 636 HA ASP 86 HA ASP 86 14.556 -8.286 2.258 637 HB2 ASP 86 1HB ASP 86 13.202 -10.826 2.581 638 HB3 ASP 86 2HB ASP 86 13.923 -10.791 0.983 639 HA PRO 87 HA PRO 87 13.427 -7.267 -1.859 640 HB2 PRO 87 1HB PRO 87 15.854 -7.361 -3.112 641 HB3 PRO 87 2HB PRO 87 15.323 -5.994 -2.152 642 HG2 PRO 87 1HG PRO 87 17.293 -8.088 -1.464 643 HG3 PRO 87 2HG PRO 87 17.062 -6.514 -0.729 644 HD2 PRO 87 1HD PRO 87 16.228 -9.044 0.335 645 HD3 PRO 87 2HD PRO 87 15.896 -7.461 1.011 646 H GLU 88 H GLU 88 15.387 -10.136 -1.454 647 HA GLU 88 HA GLU 88 14.350 -11.131 -3.949 648 HB2 GLU 88 1HB GLU 88 16.318 -12.311 -1.941 649 HB3 GLU 88 2HB GLU 88 15.856 -13.101 -3.435 650 HG2 GLU 88 1HG GLU 88 16.612 -10.960 -4.659 651 HG3 GLU 88 2HG GLU 88 17.296 -10.430 -3.135 652 H THR 89 H THR 89 12.612 -10.616 -1.509 653 HA THR 89 HA THR 89 11.338 -13.234 -1.515 654 HB THR 89 HB THR 89 12.131 -11.740 1.042 655 HG1 THR 89 HG1 THR 89 12.910 -14.296 -0.174 656 HG21 THR 89 1HG2 THR 89 9.969 -13.315 0.898 657 HG22 THR 89 2HG2 THR 89 11.187 -14.613 0.867 658 HG23 THR 89 3HG2 THR 89 11.115 -13.492 2.248 659 H SER 90 H SER 90 9.091 -13.178 -1.065 660 HA SER 90 HA SER 90 8.046 -10.457 -1.008 661 HB2 SER 90 1HB SER 90 6.174 -11.284 -2.483 662 HB3 SER 90 2HB SER 90 7.741 -11.263 -3.267 663 HG SER 90 HG SER 90 7.754 -13.422 -3.410 664 H VAL 91 H VAL 91 6.646 -10.101 0.685 665 HA VAL 91 HA VAL 91 5.621 -12.489 2.047 666 HB VAL 91 HB VAL 91 5.894 -9.688 3.139 667 HG11 VAL 91 1HG1 VAL 91 6.018 -12.088 4.883 668 HG12 VAL 91 2HG1 VAL 91 5.228 -10.514 5.144 669 HG13 VAL 91 3HG1 VAL 91 4.442 -11.747 4.129 670 HG21 VAL 91 1HG2 VAL 91 8.102 -10.585 2.392 671 HG22 VAL 91 2HG2 VAL 91 7.993 -10.325 4.150 672 HG23 VAL 91 3HG2 VAL 91 7.865 -11.971 3.483 673 H ASN 92 H ASN 92 3.399 -12.568 2.678 674 HA ASN 92 HA ASN 92 1.756 -11.074 0.867 675 HB2 ASN 92 1HB ASN 92 -0.053 -12.581 1.649 676 HB3 ASN 92 2HB ASN 92 1.369 -13.521 1.241 677 HD21 ASN 92 1HD2 ASN 92 -1.021 -13.219 3.403 678 HD22 ASN 92 2HD2 ASN 92 -0.296 -13.867 4.836 679 H LEU 93 H LEU 93 0.942 -9.082 1.533 680 HA LEU 93 HA LEU 93 1.207 -8.060 4.069 681 HB2 LEU 93 1HB LEU 93 -0.658 -7.386 1.801 682 HB3 LEU 93 2HB LEU 93 -0.614 -6.457 3.286 683 HG LEU 93 HG LEU 93 1.734 -6.877 1.415 684 HD11 LEU 93 1HD1 LEU 93 1.062 -5.129 0.224 685 HD12 LEU 93 2HD1 LEU 93 -0.483 -5.189 1.107 686 HD13 LEU 93 3HD1 LEU 93 0.835 -4.144 1.689 687 HD21 LEU 93 1HD2 LEU 93 1.445 -5.467 4.051 688 HD22 LEU 93 2HD2 LEU 93 2.740 -6.541 3.468 689 HD23 LEU 93 3HD2 LEU 93 2.610 -4.881 2.839 690 H GLY 94 H GLY 94 -0.722 -7.315 5.503 691 HA2 GLY 94 1HA GLY 94 -2.915 -9.227 5.590 692 HA3 GLY 94 2HA GLY 94 -1.777 -9.305 6.920 693 H ASP 95 H ASP 95 -4.599 -8.554 7.097 694 HA ASP 95 HA ASP 95 -4.817 -5.769 7.209 695 HB2 ASP 95 1HB ASP 95 -6.875 -6.895 7.050 696 HB3 ASP 95 2HB ASP 95 -6.409 -8.129 8.203 697 H GLY 96 H GLY 96 -3.570 -4.573 8.669 698 HA2 GLY 96 1HA GLY 96 -3.472 -3.876 10.972 699 HA3 GLY 96 2HA GLY 96 -3.444 -5.561 11.453 700 H ASP 97 H ASP 97 -1.643 -5.114 8.564 701 HA ASP 97 HA ASP 97 0.762 -5.588 10.001 702 HB2 ASP 97 1HB ASP 97 0.132 -5.202 7.041 703 HB3 ASP 97 2HB ASP 97 1.751 -5.531 7.626 704 H VAL 98 H VAL 98 2.133 -3.941 10.703 705 HA VAL 98 HA VAL 98 1.654 -1.264 9.664 706 HB VAL 98 HB VAL 98 2.840 -2.468 12.118 707 HG11 VAL 98 1HG1 VAL 98 4.682 -1.152 11.878 708 HG12 VAL 98 2HG1 VAL 98 3.868 -0.020 10.771 709 HG13 VAL 98 3HG1 VAL 98 3.580 0.088 12.524 710 HG21 VAL 98 1HG2 VAL 98 0.792 -0.390 11.410 711 HG22 VAL 98 2HG2 VAL 98 0.672 -1.781 12.514 712 HG23 VAL 98 3HG2 VAL 98 1.579 -0.331 13.006 713 H ILE 99 H ILE 99 2.796 -0.647 7.906 714 HA ILE 99 HA ILE 99 5.363 -1.934 7.434 715 HB ILE 99 HB ILE 99 3.754 -0.087 5.669 716 HG12 ILE 99 1HG1 ILE 99 3.890 -3.110 5.543 717 HG13 ILE 99 2HG1 ILE 99 2.588 -2.232 6.321 718 HG21 ILE 99 1HG2 ILE 99 5.261 -0.440 3.998 719 HG22 ILE 99 2HG2 ILE 99 6.357 -0.545 5.397 720 HG23 ILE 99 3HG2 ILE 99 5.759 -2.031 4.623 721 HD11 ILE 99 1HD1 ILE 99 1.582 -2.031 4.305 722 HD12 ILE 99 2HD1 ILE 99 2.931 -0.998 3.776 723 HD13 ILE 99 3HD1 ILE 99 2.992 -2.754 3.495 724 H LYS 100 H LYS 100 7.030 -1.026 8.534 725 HA LYS 100 HA LYS 100 7.004 1.875 8.854 726 HB2 LYS 100 1HB LYS 100 8.221 -0.415 10.327 727 HB3 LYS 100 2HB LYS 100 9.114 1.093 10.316 728 HG2 LYS 100 1HG LYS 100 7.457 2.256 11.488 729 HG3 LYS 100 2HG LYS 100 6.160 1.247 10.880 730 HD2 LYS 100 1HD LYS 100 6.224 0.219 12.914 731 HD3 LYS 100 2HD LYS 100 7.659 -0.593 12.318 732 HE2 LYS 100 1HE LYS 100 9.129 1.040 13.344 733 HE3 LYS 100 2HE LYS 100 7.799 2.132 13.678 734 HZ1 LYS 100 1HZ LYS 100 7.093 0.855 15.395 735 HZ2 LYS 100 2HZ LYS 100 7.685 -0.544 14.796 736 HZ3 LYS 100 3HZ LYS 100 8.693 0.539 15.488 737 H LEU 101 H LEU 101 7.806 2.903 7.085 738 HA LEU 101 HA LEU 101 10.381 1.900 6.094 739 HB2 LEU 101 1HB LEU 101 9.764 2.397 3.855 740 HB3 LEU 101 2HB LEU 101 8.561 1.327 4.547 741 HG LEU 101 HG LEU 101 8.012 4.262 4.639 742 HD11 LEU 101 1HD1 LEU 101 8.939 3.740 2.339 743 HD12 LEU 101 2HD1 LEU 101 7.524 2.686 2.107 744 HD13 LEU 101 3HD1 LEU 101 7.299 4.428 2.391 745 HD21 LEU 101 1HD2 LEU 101 6.576 1.803 5.022 746 HD22 LEU 101 2HD2 LEU 101 6.058 3.478 5.332 747 HD23 LEU 101 3HD2 LEU 101 5.809 2.751 3.726 748 H GLY 102 H GLY 102 11.558 3.735 4.827 749 HA2 GLY 102 1HA GLY 102 12.432 5.810 4.791 750 HA3 GLY 102 2HA GLY 102 10.917 6.430 5.418 751 H GLU 103 H GLU 103 11.587 7.794 7.064 752 HA GLU 103 HA GLU 103 13.531 6.731 8.926 753 HB2 GLU 103 1HB GLU 103 12.350 9.531 8.657 754 HB3 GLU 103 2HB GLU 103 13.601 9.078 9.798 755 HG2 GLU 103 1HG GLU 103 14.741 8.136 7.502 756 HG3 GLU 103 2HG GLU 103 13.777 9.434 6.825 757 H TYR 104 H TYR 104 10.306 8.418 8.964 758 HA TYR 104 HA TYR 104 9.616 6.779 11.290 759 HB2 TYR 104 1HB TYR 104 9.434 9.820 10.848 760 HB3 TYR 104 2HB TYR 104 8.525 9.019 12.114 761 HD1 TYR 104 HD1 TYR 104 9.862 7.686 13.885 762 HD2 TYR 104 HD2 TYR 104 11.647 10.525 11.228 763 HE1 TYR 104 HE1 TYR 104 11.859 7.900 15.444 764 HE2 TYR 104 HE2 TYR 104 13.638 10.730 12.797 765 HH TYR 104 HH TYR 104 14.084 10.399 15.188 766 H THR 105 H THR 105 8.899 6.366 8.532 767 HA THR 105 HA THR 105 6.115 7.307 8.481 768 HB THR 105 HB THR 105 8.000 6.237 6.316 769 HG1 THR 105 HG1 THR 105 6.794 8.774 7.146 770 HG21 THR 105 1HG2 THR 105 6.172 6.008 4.967 771 HG22 THR 105 2HG2 THR 105 5.113 6.364 6.353 772 HG23 THR 105 3HG2 THR 105 5.707 7.689 5.323 773 H SER 106 H SER 106 4.510 5.968 9.004 774 HA SER 106 HA SER 106 5.103 3.124 8.762 775 HB2 SER 106 1HB SER 106 3.448 4.435 10.965 776 HB3 SER 106 2HB SER 106 3.778 2.721 10.811 777 HG SER 106 HG SER 106 5.227 3.681 12.333 778 H ILE 107 H ILE 107 3.560 1.946 7.634 779 HA ILE 107 HA ILE 107 1.032 3.340 7.087 780 HB ILE 107 HB ILE 107 2.534 1.514 5.211 781 HG12 ILE 107 1HG1 ILE 107 2.331 4.536 5.095 782 HG13 ILE 107 2HG1 ILE 107 3.734 3.665 5.681 783 HG21 ILE 107 1HG2 ILE 107 0.798 3.017 3.718 784 HG22 ILE 107 2HG2 ILE 107 0.503 1.355 4.284 785 HG23 ILE 107 3HG2 ILE 107 -0.138 2.736 5.206 786 HD11 ILE 107 1HD1 ILE 107 2.611 3.779 2.875 787 HD12 ILE 107 2HD1 ILE 107 4.288 4.009 3.425 788 HD13 ILE 107 3HD1 ILE 107 3.583 2.375 3.377 789 H LEU 108 H LEU 108 -0.817 2.243 7.573 790 HA LEU 108 HA LEU 108 -0.436 -0.458 8.617 791 HB2 LEU 108 1HB LEU 108 -1.434 0.778 10.261 792 HB3 LEU 108 2HB LEU 108 -2.337 1.774 9.137 793 HG LEU 108 HG LEU 108 -3.895 -0.067 8.705 794 HD11 LEU 108 1HD1 LEU 108 -3.282 -2.171 9.036 795 HD12 LEU 108 2HD1 LEU 108 -1.823 -1.653 9.913 796 HD13 LEU 108 3HD1 LEU 108 -3.353 -1.887 10.792 797 HD21 LEU 108 1HD2 LEU 108 -3.639 1.411 11.100 798 HD22 LEU 108 2HD2 LEU 108 -5.112 0.715 10.385 799 HD23 LEU 108 3HD2 LEU 108 -4.163 -0.226 11.560 800 H VAL 109 H VAL 109 -1.521 -2.246 7.787 801 HA VAL 109 HA VAL 109 -2.779 -1.755 5.190 802 HB VAL 109 HB VAL 109 -1.456 -4.167 6.433 803 HG11 VAL 109 1HG1 VAL 109 -3.096 -5.250 5.233 804 HG12 VAL 109 2HG1 VAL 109 -3.245 -3.940 4.037 805 HG13 VAL 109 3HG1 VAL 109 -1.855 -5.051 3.972 806 HG21 VAL 109 1HG2 VAL 109 0.191 -2.678 5.617 807 HG22 VAL 109 2HG2 VAL 109 -0.003 -3.909 4.346 808 HG23 VAL 109 3HG2 VAL 109 -0.751 -2.305 4.153 809 H ASN 110 H ASN 110 -4.961 -1.659 5.208 810 HA ASN 110 HA ASN 110 -6.289 -3.406 7.129 811 HB2 ASN 110 1HB ASN 110 -6.626 -0.521 6.530 812 HB3 ASN 110 2HB ASN 110 -8.141 -1.398 6.451 813 HD21 ASN 110 1HD2 ASN 110 -5.290 -2.086 8.435 814 HD22 ASN 110 2HD2 ASN 110 -6.032 -1.871 9.985 815 H PHE 111 H PHE 111 -7.573 -4.952 6.102 816 HA PHE 111 HA PHE 111 -7.950 -4.728 3.259 817 HB2 PHE 111 1HB PHE 111 -8.589 -6.739 5.486 818 HB3 PHE 111 2HB PHE 111 -9.139 -7.021 3.846 819 HD1 PHE 111 HD1 PHE 111 -6.724 -5.964 2.374 820 HD2 PHE 111 HD2 PHE 111 -7.062 -8.502 5.758 821 HE1 PHE 111 HE1 PHE 111 -4.513 -7.008 1.811 822 HE2 PHE 111 HE2 PHE 111 -4.850 -9.547 5.195 823 HZ PHE 111 HZ PHE 111 -3.602 -8.787 3.228 824 H VAL 112 H VAL 112 -9.625 -3.570 2.432 825 HA VAL 112 HA VAL 112 -12.009 -3.249 4.063 826 HB VAL 112 HB VAL 112 -12.620 -1.629 2.269 827 HG11 VAL 112 1HG1 VAL 112 -11.482 -0.927 4.341 828 HG12 VAL 112 2HG1 VAL 112 -9.905 -1.176 3.554 829 HG13 VAL 112 3HG1 VAL 112 -11.011 0.082 2.952 830 HG21 VAL 112 1HG2 VAL 112 -9.829 -1.649 1.223 831 HG22 VAL 112 2HG2 VAL 112 -10.920 -2.935 0.652 832 HG23 VAL 112 3HG2 VAL 112 -11.357 -1.226 0.415 833 H SER 113 H SER 113 -14.017 -4.108 3.561 834 HA SER 113 HA SER 113 -14.621 -5.136 1.051 835 HB2 SER 113 1HB SER 113 -13.093 -6.923 2.706 836 HB3 SER 113 2HB SER 113 -14.727 -7.552 2.629 837 HG SER 113 HG SER 113 -13.659 -6.654 0.168 838 H GLY 114 H GLY 114 -16.403 -3.684 1.740 839 HA2 GLY 114 1HA GLY 114 -18.721 -3.969 2.144 840 HA3 GLY 114 2HA GLY 114 -18.359 -5.133 3.403 841 HA PRO 115 HA PRO 115 -18.862 -0.945 5.257 842 HB2 PRO 115 1HB PRO 115 -21.282 -1.257 6.487 843 HB3 PRO 115 2HB PRO 115 -21.094 -0.488 4.924 844 HG2 PRO 115 1HG PRO 115 -22.129 -3.186 5.551 845 HG3 PRO 115 2HG PRO 115 -22.323 -2.249 4.082 846 HD2 PRO 115 1HD PRO 115 -20.545 -4.464 4.483 847 HD3 PRO 115 2HD PRO 115 -20.656 -3.455 3.055 848 H SER 116 H SER 116 -19.359 -0.376 7.694 849 HA SER 116 HA SER 116 -19.185 -2.455 9.492 850 HB2 SER 116 1HB SER 116 -16.810 -2.263 10.226 851 HB3 SER 116 2HB SER 116 -16.954 -2.907 8.603 852 HG SER 116 HG SER 116 -15.296 -1.190 8.909 853 H SER 117 H SER 117 -19.501 -1.625 11.598 854 HA SER 117 HA SER 117 -19.870 -0.173 13.169 855 HB2 SER 117 1HB SER 117 -17.481 0.772 11.988 856 HB3 SER 117 2HB SER 117 -18.480 2.201 12.160 857 HG SER 117 HG SER 117 -18.207 2.152 14.285 858 H GLY 118 H GLY 118 -21.711 1.048 13.548 859 HA2 GLY 118 1HA GLY 118 -22.511 3.133 11.719 860 HA3 GLY 118 2HA GLY 118 -23.520 1.702 11.647 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -33.596 3.427 -3.278 2 HA2 GLY 1 1HA GLY 1 -31.136 4.544 -3.222 3 HA3 GLY 1 2HA GLY 1 -31.482 4.311 -1.520 4 H SER 2 H SER 2 -30.887 2.375 -0.649 5 HA SER 2 HA SER 2 -30.401 0.268 -0.449 6 HB2 SER 2 1HB SER 2 -32.600 0.213 -2.179 7 HB3 SER 2 2HB SER 2 -31.421 -0.780 -3.013 8 HG SER 2 HG SER 2 -31.195 -2.069 -1.076 9 H SER 3 H SER 3 -28.544 -0.990 -0.891 10 HA SER 3 HA SER 3 -27.416 -1.014 -3.475 11 HB2 SER 3 1HB SER 3 -25.242 0.094 -2.797 12 HB3 SER 3 2HB SER 3 -26.600 1.191 -2.949 13 HG SER 3 HG SER 3 -25.739 1.769 -1.004 14 H GLY 4 H GLY 4 -25.112 -2.152 -3.318 15 HA2 GLY 4 1HA GLY 4 -23.724 -3.458 -1.772 16 HA3 GLY 4 2HA GLY 4 -25.205 -4.067 -1.062 17 H SER 5 H SER 5 -22.741 -4.995 -3.005 18 HA SER 5 HA SER 5 -24.366 -7.022 -4.202 19 HB2 SER 5 1HB SER 5 -23.509 -6.668 -6.491 20 HB3 SER 5 2HB SER 5 -24.421 -5.275 -5.943 21 HG SER 5 HG SER 5 -21.613 -5.552 -6.373 22 H SER 6 H SER 6 -22.980 -8.826 -5.086 23 HA SER 6 HA SER 6 -20.593 -8.985 -3.494 24 HB2 SER 6 1HB SER 6 -22.117 -11.013 -5.179 25 HB3 SER 6 2HB SER 6 -20.606 -11.398 -4.378 26 HG SER 6 HG SER 6 -22.240 -12.010 -2.958 27 H GLY 7 H GLY 7 -18.491 -8.967 -4.312 28 HA2 GLY 7 1HA GLY 7 -18.223 -8.886 -7.257 29 HA3 GLY 7 2HA GLY 7 -17.398 -7.755 -6.203 30 H MET 8 H MET 8 -15.255 -8.260 -6.086 31 HA MET 8 HA MET 8 -14.460 -10.984 -6.411 32 HB2 MET 8 1HB MET 8 -13.085 -8.287 -6.103 33 HB3 MET 8 2HB MET 8 -12.132 -9.745 -5.912 34 HG2 MET 8 1HG MET 8 -13.928 -9.530 -8.333 35 HG3 MET 8 2HG MET 8 -12.449 -8.591 -8.317 36 HE1 MET 8 1HE MET 8 -12.945 -11.349 -10.468 37 HE2 MET 8 2HE MET 8 -12.091 -9.788 -10.406 38 HE3 MET 8 3HE MET 8 -11.166 -11.305 -10.522 39 H VAL 9 H VAL 9 -13.380 -12.304 -4.858 40 HA VAL 9 HA VAL 9 -14.197 -11.828 -2.178 41 HB VAL 9 HB VAL 9 -13.016 -13.941 -1.744 42 HG11 VAL 9 1HG1 VAL 9 -15.136 -13.559 -3.746 43 HG12 VAL 9 2HG1 VAL 9 -14.308 -15.130 -3.866 44 HG13 VAL 9 3HG1 VAL 9 -15.070 -14.640 -2.333 45 HG21 VAL 9 1HG2 VAL 9 -11.241 -14.457 -3.001 46 HG22 VAL 9 2HG2 VAL 9 -12.382 -14.907 -4.291 47 HG23 VAL 9 3HG2 VAL 9 -11.692 -13.267 -4.247 48 H THR 10 H THR 10 -11.632 -10.653 -4.090 49 HA THR 10 HA THR 10 -9.663 -10.593 -1.984 50 HB THR 10 HB THR 10 -9.756 -9.173 -4.695 51 HG1 THR 10 HG1 THR 10 -10.025 -11.507 -4.855 52 HG21 THR 10 1HG2 THR 10 -7.414 -10.186 -3.001 53 HG22 THR 10 2HG2 THR 10 -7.301 -9.321 -4.552 54 HG23 THR 10 3HG2 THR 10 -7.902 -8.477 -3.104 55 HA PRO 11 HA PRO 11 -11.244 -6.979 -0.206 56 HB2 PRO 11 1HB PRO 11 -9.406 -6.739 1.803 57 HB3 PRO 11 2HB PRO 11 -10.829 -7.755 1.922 58 HG2 PRO 11 1HG PRO 11 -8.015 -8.550 1.491 59 HG3 PRO 11 2HG PRO 11 -9.363 -9.532 2.031 60 HD2 PRO 11 1HD PRO 11 -8.199 -9.507 -0.591 61 HD3 PRO 11 2HD PRO 11 -9.618 -10.401 -0.083 62 H SER 12 H SER 12 -10.931 -4.735 -0.138 63 HA SER 12 HA SER 12 -9.060 -3.938 -2.069 64 HB2 SER 12 1HB SER 12 -11.104 -2.633 -0.325 65 HB3 SER 12 2HB SER 12 -9.803 -1.591 -0.865 66 HG SER 12 HG SER 12 -11.083 -1.411 -2.598 67 H LEU 13 H LEU 13 -7.111 -2.693 -1.812 68 HA LEU 13 HA LEU 13 -5.860 -3.110 0.778 69 HB2 LEU 13 1HB LEU 13 -4.899 -3.723 -1.551 70 HB3 LEU 13 2HB LEU 13 -4.525 -2.016 -1.678 71 HG LEU 13 HG LEU 13 -2.828 -3.856 -0.692 72 HD11 LEU 13 1HD1 LEU 13 -2.145 -1.642 -1.257 73 HD12 LEU 13 2HD1 LEU 13 -3.070 -0.944 0.093 74 HD13 LEU 13 3HD1 LEU 13 -1.638 -1.949 0.421 75 HD21 LEU 13 1HD2 LEU 13 -4.098 -2.692 1.799 76 HD22 LEU 13 2HD2 LEU 13 -4.356 -4.353 1.215 77 HD23 LEU 13 3HD2 LEU 13 -2.728 -3.824 1.705 78 H ARG 14 H ARG 14 -6.148 -1.558 2.284 79 HA ARG 14 HA ARG 14 -6.202 1.174 1.277 80 HB2 ARG 14 1HB ARG 14 -8.334 0.392 2.374 81 HB3 ARG 14 2HB ARG 14 -7.443 0.065 3.847 82 HG2 ARG 14 1HG ARG 14 -6.668 2.616 3.560 83 HG3 ARG 14 2HG ARG 14 -8.124 2.728 2.592 84 HD2 ARG 14 1HD ARG 14 -8.915 1.295 4.909 85 HD3 ARG 14 2HD ARG 14 -7.852 2.552 5.508 86 HE ARG 14 HE ARG 14 -9.450 3.950 3.767 87 HH11 ARG 14 1HH1 ARG 14 -10.184 1.705 6.375 88 HH12 ARG 14 2HH1 ARG 14 -11.708 2.439 6.750 89 HH21 ARG 14 1HH2 ARG 14 -11.460 4.919 4.261 90 HH22 ARG 14 2HH2 ARG 14 -12.438 4.280 5.539 91 H LEU 15 H LEU 15 -4.194 2.088 1.632 92 HA LEU 15 HA LEU 15 -2.651 1.187 3.917 93 HB2 LEU 15 1HB LEU 15 -1.994 2.991 1.586 94 HB3 LEU 15 2HB LEU 15 -0.878 2.598 2.879 95 HG LEU 15 HG LEU 15 -2.159 0.450 1.187 96 HD11 LEU 15 1HD1 LEU 15 0.262 2.138 0.569 97 HD12 LEU 15 2HD1 LEU 15 0.071 0.489 -0.074 98 HD13 LEU 15 3HD1 LEU 15 -1.128 1.744 -0.470 99 HD21 LEU 15 1HD2 LEU 15 0.548 0.292 2.465 100 HD22 LEU 15 2HD2 LEU 15 -0.912 0.074 3.460 101 HD23 LEU 15 3HD2 LEU 15 -0.610 -1.001 2.074 102 H VAL 16 H VAL 16 -2.654 2.222 5.837 103 HA VAL 16 HA VAL 16 -3.654 4.986 5.825 104 HB VAL 16 HB VAL 16 -3.807 2.866 7.978 105 HG11 VAL 16 1HG1 VAL 16 -3.566 5.209 8.823 106 HG12 VAL 16 2HG1 VAL 16 -5.054 5.633 7.944 107 HG13 VAL 16 3HG1 VAL 16 -5.109 4.438 9.262 108 HG21 VAL 16 1HG2 VAL 16 -6.299 3.997 6.881 109 HG22 VAL 16 2HG2 VAL 16 -5.356 3.031 5.721 110 HG23 VAL 16 3HG2 VAL 16 -5.871 2.313 7.266 111 H PHE 17 H PHE 17 -2.233 6.547 6.414 112 HA PHE 17 HA PHE 17 0.384 5.702 7.270 113 HB2 PHE 17 1HB PHE 17 -1.018 8.352 6.599 114 HB3 PHE 17 2HB PHE 17 0.656 8.308 7.116 115 HD1 PHE 17 HD1 PHE 17 2.163 6.597 5.723 116 HD2 PHE 17 HD2 PHE 17 -1.440 8.357 4.334 117 HE1 PHE 17 HE1 PHE 17 2.885 6.204 3.352 118 HE2 PHE 17 HE2 PHE 17 -0.718 7.964 1.963 119 HZ PHE 17 HZ PHE 17 1.436 6.892 1.500 120 H VAL 18 H VAL 18 0.217 4.970 9.422 121 HA VAL 18 HA VAL 18 -1.174 6.556 11.358 122 HB VAL 18 HB VAL 18 -0.058 4.861 12.914 123 HG11 VAL 18 1HG1 VAL 18 -2.405 4.813 11.698 124 HG12 VAL 18 2HG1 VAL 18 -1.680 3.437 10.832 125 HG13 VAL 18 3HG1 VAL 18 -1.814 3.401 12.607 126 HG21 VAL 18 1HG2 VAL 18 1.355 3.294 12.145 127 HG22 VAL 18 2HG2 VAL 18 0.379 3.000 10.685 128 HG23 VAL 18 3HG2 VAL 18 1.540 4.349 10.723 129 H LYS 19 H LYS 19 2.114 6.261 10.070 130 HA LYS 19 HA LYS 19 2.882 8.448 11.854 131 HB2 LYS 19 1HB LYS 19 4.545 5.965 11.332 132 HB3 LYS 19 2HB LYS 19 5.103 7.399 12.170 133 HG2 LYS 19 1HG LYS 19 2.604 6.635 13.373 134 HG3 LYS 19 2HG LYS 19 3.569 5.180 13.221 135 HD2 LYS 19 1HD LYS 19 5.405 6.148 14.470 136 HD3 LYS 19 2HD LYS 19 4.718 7.757 14.372 137 HE2 LYS 19 1HE LYS 19 2.650 6.650 15.628 138 HE3 LYS 19 2HE LYS 19 3.813 5.415 16.068 139 HZ1 LYS 19 1HZ LYS 19 4.154 6.876 17.724 140 HZ2 LYS 19 2HZ LYS 19 5.203 7.538 16.662 141 HZ3 LYS 19 3HZ LYS 19 3.719 8.191 16.858 142 H GLY 20 H GLY 20 5.362 9.046 10.925 143 HA2 GLY 20 1HA GLY 20 6.602 9.633 9.085 144 HA3 GLY 20 2HA GLY 20 5.370 8.984 8.021 145 HA PRO 21 HA PRO 21 4.933 13.515 8.001 146 HB2 PRO 21 1HB PRO 21 5.289 13.927 5.323 147 HB3 PRO 21 2HB PRO 21 6.583 14.073 6.495 148 HG2 PRO 21 1HG PRO 21 6.075 11.900 4.557 149 HG3 PRO 21 2HG PRO 21 7.553 12.278 5.420 150 HD2 PRO 21 1HD PRO 21 5.712 10.160 6.014 151 HD3 PRO 21 2HD PRO 21 7.127 10.610 6.944 152 H ARG 22 H ARG 22 3.599 10.982 6.064 153 HA ARG 22 HA ARG 22 1.356 12.620 5.394 154 HB2 ARG 22 1HB ARG 22 2.555 10.242 4.363 155 HB3 ARG 22 2HB ARG 22 0.959 9.762 4.906 156 HG2 ARG 22 1HG ARG 22 0.555 10.475 2.693 157 HG3 ARG 22 2HG ARG 22 0.098 11.881 3.635 158 HD2 ARG 22 1HD ARG 22 2.965 11.649 2.698 159 HD3 ARG 22 2HD ARG 22 1.741 12.107 1.531 160 HE ARG 22 HE ARG 22 1.234 13.757 3.721 161 HH11 ARG 22 1HH1 ARG 22 4.025 13.127 1.672 162 HH12 ARG 22 2HH1 ARG 22 4.685 14.717 1.864 163 HH21 ARG 22 1HH2 ARG 22 2.104 15.855 3.975 164 HH22 ARG 22 2HH2 ARG 22 3.585 16.279 3.182 165 H GLU 23 H GLU 23 2.345 11.127 8.186 166 HA GLU 23 HA GLU 23 0.529 9.463 9.113 167 HB2 GLU 23 1HB GLU 23 2.332 10.227 10.522 168 HB3 GLU 23 2HB GLU 23 1.748 11.879 10.502 169 HG2 GLU 23 1HG GLU 23 -0.346 10.067 11.456 170 HG3 GLU 23 2HG GLU 23 1.117 9.861 12.399 171 H GLY 24 H GLY 24 -1.670 9.377 9.034 172 HA2 GLY 24 1HA GLY 24 -3.707 10.296 9.919 173 HA3 GLY 24 2HA GLY 24 -3.147 11.898 9.479 174 H ASP 25 H ASP 25 -2.007 10.138 6.953 175 HA ASP 25 HA ASP 25 -4.411 10.696 5.431 176 HB2 ASP 25 1HB ASP 25 -1.480 10.327 4.702 177 HB3 ASP 25 2HB ASP 25 -2.724 10.287 3.468 178 H ALA 26 H ALA 26 -5.120 9.045 3.801 179 HA ALA 26 HA ALA 26 -3.926 6.424 3.979 180 HB1 ALA 26 1HB ALA 26 -6.870 6.626 4.613 181 HB2 ALA 26 2HB ALA 26 -5.731 5.302 4.952 182 HB3 ALA 26 3HB ALA 26 -5.665 6.799 5.912 183 H LEU 27 H LEU 27 -4.752 4.988 2.271 184 HA LEU 27 HA LEU 27 -6.370 6.376 0.271 185 HB2 LEU 27 1HB LEU 27 -3.803 4.929 -0.384 186 HB3 LEU 27 2HB LEU 27 -4.867 5.760 -1.501 187 HG LEU 27 HG LEU 27 -3.806 7.430 0.704 188 HD11 LEU 27 1HD1 LEU 27 -1.759 7.412 -1.271 189 HD12 LEU 27 2HD1 LEU 27 -1.645 7.009 0.459 190 HD13 LEU 27 3HD1 LEU 27 -2.012 5.735 -0.729 191 HD21 LEU 27 1HD2 LEU 27 -3.401 8.314 -2.047 192 HD22 LEU 27 2HD2 LEU 27 -5.088 7.853 -1.715 193 HD23 LEU 27 3HD2 LEU 27 -4.287 9.084 -0.709 194 H ASP 28 H ASP 28 -6.957 4.680 -1.549 195 HA ASP 28 HA ASP 28 -7.152 2.036 -0.419 196 HB2 ASP 28 1HB ASP 28 -9.536 1.891 -0.594 197 HB3 ASP 28 2HB ASP 28 -9.217 3.389 0.258 198 H TYR 29 H TYR 29 -7.141 0.457 -2.103 199 HA TYR 29 HA TYR 29 -7.560 1.444 -4.831 200 HB2 TYR 29 1HB TYR 29 -5.276 -0.274 -3.674 201 HB3 TYR 29 2HB TYR 29 -5.483 0.033 -5.387 202 HD1 TYR 29 HD2 TYR 29 -4.734 1.662 -2.130 203 HD2 TYR 29 HD1 TYR 29 -4.672 2.036 -6.391 204 HE1 TYR 29 HE2 TYR 29 -3.324 3.768 -1.931 205 HE2 TYR 29 HE1 TYR 29 -3.263 4.141 -6.179 206 HH TYR 29 HH TYR 29 -2.633 5.744 -4.735 207 H LYS 30 H LYS 30 -7.579 -0.538 -6.410 208 HA LYS 30 HA LYS 30 -9.330 -2.505 -5.163 209 HB2 LYS 30 1HB LYS 30 -9.077 -1.269 -7.827 210 HB3 LYS 30 2HB LYS 30 -9.376 -2.995 -7.867 211 HG2 LYS 30 1HG LYS 30 -11.310 -2.660 -6.272 212 HG3 LYS 30 2HG LYS 30 -11.035 -0.931 -6.344 213 HD2 LYS 30 1HD LYS 30 -11.313 -2.357 -8.974 214 HD3 LYS 30 2HD LYS 30 -12.763 -2.219 -8.001 215 HE2 LYS 30 1HE LYS 30 -12.971 0.008 -8.441 216 HE3 LYS 30 2HE LYS 30 -11.290 0.322 -8.061 217 HZ1 LYS 30 1HZ LYS 30 -11.974 0.691 -10.410 218 HZ2 LYS 30 2HZ LYS 30 -10.662 -0.263 -10.221 219 HZ3 LYS 30 3HZ LYS 30 -12.109 -0.927 -10.583 220 HA PRO 31 HA PRO 31 -6.484 -5.726 -5.569 221 HB2 PRO 31 1HB PRO 31 -7.975 -7.872 -6.368 222 HB3 PRO 31 2HB PRO 31 -7.942 -7.290 -4.715 223 HG2 PRO 31 1HG PRO 31 -10.065 -6.976 -6.749 224 HG3 PRO 31 2HG PRO 31 -10.174 -6.788 -5.010 225 HD2 PRO 31 1HD PRO 31 -10.062 -4.687 -6.959 226 HD3 PRO 31 2HD PRO 31 -10.054 -4.501 -5.217 227 H GLY 32 H GLY 32 -4.786 -6.077 -6.848 228 HA2 GLY 32 1HA GLY 32 -3.948 -7.038 -8.836 229 HA3 GLY 32 2HA GLY 32 -5.424 -6.602 -9.674 230 H SER 33 H SER 33 -4.330 -4.130 -7.502 231 HA SER 33 HA SER 33 -3.214 -2.719 -9.797 232 HB2 SER 33 1HB SER 33 -5.041 -1.904 -7.579 233 HB3 SER 33 2HB SER 33 -3.823 -0.724 -8.019 234 HG SER 33 HG SER 33 -4.869 -0.301 -9.841 235 H THR 34 H THR 34 -1.004 -2.576 -9.680 236 HA THR 34 HA THR 34 0.369 -3.029 -7.225 237 HB THR 34 HB THR 34 1.321 -2.048 -9.968 238 HG1 THR 34 HG1 THR 34 1.211 -4.666 -8.645 239 HG21 THR 34 1HG2 THR 34 2.725 -3.238 -7.533 240 HG22 THR 34 2HG2 THR 34 3.403 -3.395 -9.171 241 HG23 THR 34 3HG2 THR 34 3.175 -1.782 -8.452 242 H ILE 35 H ILE 35 0.533 -1.635 -5.593 243 HA ILE 35 HA ILE 35 0.360 1.205 -6.233 244 HB ILE 35 HB ILE 35 0.085 -0.366 -3.675 245 HG12 ILE 35 1HG1 ILE 35 -2.131 1.328 -4.240 246 HG13 ILE 35 2HG1 ILE 35 -1.748 0.472 -5.720 247 HG21 ILE 35 1HG2 ILE 35 -0.653 2.413 -3.425 248 HG22 ILE 35 2HG2 ILE 35 0.466 1.438 -2.441 249 HG23 ILE 35 3HG2 ILE 35 1.055 2.261 -3.905 250 HD11 ILE 35 1HD1 ILE 35 -3.242 -0.972 -4.543 251 HD12 ILE 35 2HD1 ILE 35 -1.629 -1.676 -4.276 252 HD13 ILE 35 3HD1 ILE 35 -2.401 -0.710 -2.996 253 H ARG 36 H ARG 36 2.377 1.782 -7.030 254 HA ARG 36 HA ARG 36 4.706 0.812 -5.752 255 HB2 ARG 36 1HB ARG 36 4.259 2.981 -7.860 256 HB3 ARG 36 2HB ARG 36 5.851 2.485 -7.323 257 HG2 ARG 36 1HG ARG 36 5.781 0.518 -8.502 258 HG3 ARG 36 2HG ARG 36 4.109 0.206 -8.079 259 HD2 ARG 36 1HD ARG 36 3.983 0.594 -10.408 260 HD3 ARG 36 2HD ARG 36 3.532 2.151 -9.742 261 HE ARG 36 HE ARG 36 6.259 2.404 -9.985 262 HH11 ARG 36 1HH1 ARG 36 3.758 1.359 -12.230 263 HH12 ARG 36 2HH1 ARG 36 4.609 1.910 -13.634 264 HH21 ARG 36 1HH2 ARG 36 7.382 3.132 -11.837 265 HH22 ARG 36 2HH2 ARG 36 6.684 2.925 -13.409 266 H VAL 37 H VAL 37 5.233 1.565 -3.713 267 HA VAL 37 HA VAL 37 4.570 4.328 -3.065 268 HB VAL 37 HB VAL 37 5.650 2.132 -1.293 269 HG11 VAL 37 1HG1 VAL 37 3.967 4.006 0.059 270 HG12 VAL 37 2HG1 VAL 37 5.702 3.692 0.298 271 HG13 VAL 37 3HG1 VAL 37 5.173 4.917 -0.880 272 HG21 VAL 37 1HG2 VAL 37 2.823 2.795 -2.115 273 HG22 VAL 37 2HG2 VAL 37 3.634 1.212 -2.042 274 HG23 VAL 37 3HG2 VAL 37 3.173 2.045 -0.538 275 H GLY 38 H GLY 38 6.065 5.868 -3.462 276 HA2 GLY 38 1HA GLY 38 8.887 5.194 -2.949 277 HA3 GLY 38 2HA GLY 38 8.419 5.905 -4.481 278 H ARG 39 H ARG 39 9.863 7.726 -3.879 279 HA ARG 39 HA ARG 39 8.744 9.372 -1.774 280 HB2 ARG 39 1HB ARG 39 11.116 9.086 -1.497 281 HB3 ARG 39 2HB ARG 39 11.432 9.322 -3.204 282 HG2 ARG 39 1HG ARG 39 10.891 11.694 -3.062 283 HG3 ARG 39 2HG ARG 39 10.264 11.516 -1.436 284 HD2 ARG 39 1HD ARG 39 12.342 11.687 -0.508 285 HD3 ARG 39 2HD ARG 39 13.018 10.507 -1.614 286 HE ARG 39 HE ARG 39 12.493 13.095 -2.883 287 HH11 ARG 39 1HH1 ARG 39 14.821 11.219 -1.027 288 HH12 ARG 39 2HH1 ARG 39 16.183 12.151 -1.552 289 HH21 ARG 39 1HH2 ARG 39 14.290 14.325 -3.576 290 HH22 ARG 39 2HH2 ARG 39 15.879 13.930 -3.012 291 H ILE 40 H ILE 40 10.092 9.649 -5.150 292 HA ILE 40 HA ILE 40 8.905 12.213 -5.527 293 HB ILE 40 HB ILE 40 9.662 11.798 -7.909 294 HG12 ILE 40 1HG1 ILE 40 11.244 9.487 -6.817 295 HG13 ILE 40 2HG1 ILE 40 9.629 9.214 -7.439 296 HG21 ILE 40 1HG2 ILE 40 11.488 11.862 -5.519 297 HG22 ILE 40 2HG2 ILE 40 12.142 11.877 -7.174 298 HG23 ILE 40 3HG2 ILE 40 11.041 13.170 -6.640 299 HD11 ILE 40 1HD1 ILE 40 10.323 10.417 -9.573 300 HD12 ILE 40 2HD1 ILE 40 11.985 10.438 -8.938 301 HD13 ILE 40 3HD1 ILE 40 11.179 8.886 -9.272 302 H VAL 41 H VAL 41 6.903 12.723 -6.273 303 HA VAL 41 HA VAL 41 4.833 11.005 -6.260 304 HB VAL 41 HB VAL 41 3.693 12.641 -7.749 305 HG11 VAL 41 1HG1 VAL 41 3.645 14.373 -6.148 306 HG12 VAL 41 2HG1 VAL 41 4.074 12.911 -5.228 307 HG13 VAL 41 3HG1 VAL 41 5.334 14.090 -5.663 308 HG21 VAL 41 1HG2 VAL 41 6.514 13.643 -8.072 309 HG22 VAL 41 2HG2 VAL 41 5.254 13.388 -9.303 310 HG23 VAL 41 3HG2 VAL 41 5.139 14.768 -8.185 311 H ARG 42 H ARG 42 6.746 11.945 -9.204 312 HA ARG 42 HA ARG 42 6.644 11.098 -11.238 313 HB2 ARG 42 1HB ARG 42 7.941 9.354 -9.371 314 HB3 ARG 42 2HB ARG 42 7.101 8.311 -10.501 315 HG2 ARG 42 1HG ARG 42 8.822 10.631 -11.463 316 HG3 ARG 42 2HG ARG 42 9.520 9.063 -11.112 317 HD2 ARG 42 1HD ARG 42 7.962 7.994 -12.751 318 HD3 ARG 42 2HD ARG 42 7.243 9.555 -13.094 319 HE ARG 42 HE ARG 42 10.099 9.702 -13.455 320 HH11 ARG 42 1HH1 ARG 42 7.195 8.421 -14.974 321 HH12 ARG 42 2HH1 ARG 42 7.858 8.466 -16.573 322 HH21 ARG 42 1HH2 ARG 42 10.974 9.761 -15.565 323 HH22 ARG 42 2HH2 ARG 42 10.022 9.233 -16.912 324 H GLY 43 H GLY 43 6.094 8.299 -12.052 325 HA2 GLY 43 1HA GLY 43 3.236 8.508 -12.334 326 HA3 GLY 43 2HA GLY 43 4.300 7.303 -13.032 327 H ASN 44 H ASN 44 5.257 7.339 -9.864 328 HA ASN 44 HA ASN 44 4.238 4.875 -9.296 329 HB2 ASN 44 1HB ASN 44 5.110 7.096 -7.373 330 HB3 ASN 44 2HB ASN 44 4.889 5.424 -6.896 331 HD21 ASN 44 1HD2 ASN 44 7.184 7.509 -7.401 332 HD22 ASN 44 2HD2 ASN 44 8.430 6.568 -8.149 333 H GLU 45 H GLU 45 2.673 4.313 -7.431 334 HA GLU 45 HA GLU 45 0.282 5.776 -7.809 335 HB2 GLU 45 1HB GLU 45 1.100 3.200 -6.695 336 HB3 GLU 45 2HB GLU 45 -0.072 3.976 -5.649 337 HG2 GLU 45 1HG GLU 45 -1.075 2.516 -7.482 338 HG3 GLU 45 2HG GLU 45 -1.699 4.152 -7.420 339 H ILE 46 H ILE 46 2.280 4.985 -4.866 340 HA ILE 46 HA ILE 46 1.197 7.440 -3.669 341 HB ILE 46 HB ILE 46 2.178 4.938 -2.290 342 HG12 ILE 46 1HG1 ILE 46 -0.674 5.924 -2.540 343 HG13 ILE 46 2HG1 ILE 46 0.021 4.715 -3.600 344 HG21 ILE 46 1HG2 ILE 46 0.931 7.481 -1.215 345 HG22 ILE 46 2HG2 ILE 46 1.180 5.992 -0.273 346 HG23 ILE 46 3HG2 ILE 46 2.580 6.878 -0.923 347 HD11 ILE 46 1HD1 ILE 46 0.615 3.337 -1.558 348 HD12 ILE 46 2HD1 ILE 46 -0.265 4.525 -0.568 349 HD13 ILE 46 3HD1 ILE 46 -1.134 3.567 -1.791 350 H ALA 47 H ALA 47 2.630 8.934 -2.770 351 HA ALA 47 HA ALA 47 5.467 8.244 -2.898 352 HB1 ALA 47 1HB ALA 47 5.185 10.940 -3.777 353 HB2 ALA 47 2HB ALA 47 5.795 9.545 -4.698 354 HB3 ALA 47 3HB ALA 47 4.064 9.955 -4.748 355 H ILE 48 H ILE 48 6.590 8.986 -1.135 356 HA ILE 48 HA ILE 48 5.257 11.029 0.492 357 HB ILE 48 HB ILE 48 6.507 8.468 1.493 358 HG12 ILE 48 1HG1 ILE 48 3.697 9.122 2.137 359 HG13 ILE 48 2HG1 ILE 48 3.998 8.772 0.447 360 HG21 ILE 48 1HG2 ILE 48 6.962 10.423 2.944 361 HG22 ILE 48 2HG2 ILE 48 5.209 10.706 3.071 362 HG23 ILE 48 3HG2 ILE 48 5.918 9.205 3.715 363 HD11 ILE 48 1HD1 ILE 48 5.254 6.671 1.202 364 HD12 ILE 48 2HD1 ILE 48 4.638 6.998 2.840 365 HD13 ILE 48 3HD1 ILE 48 3.501 6.666 1.512 366 H LYS 49 H LYS 49 6.545 12.770 0.719 367 HA LYS 49 HA LYS 49 9.372 12.427 0.133 368 HB2 LYS 49 1HB LYS 49 7.567 14.845 0.353 369 HB3 LYS 49 2HB LYS 49 9.306 14.973 0.190 370 HG2 LYS 49 1HG LYS 49 8.830 13.226 -1.840 371 HG3 LYS 49 2HG LYS 49 7.273 14.030 -1.809 372 HD2 LYS 49 1HD LYS 49 8.337 15.528 -3.195 373 HD3 LYS 49 2HD LYS 49 8.863 16.228 -1.677 374 HE2 LYS 49 1HE LYS 49 10.821 14.361 -1.969 375 HE3 LYS 49 2HE LYS 49 10.423 14.595 -3.660 376 HZ1 LYS 49 1HZ LYS 49 11.177 16.706 -1.762 377 HZ2 LYS 49 2HZ LYS 49 12.087 16.138 -2.993 378 HZ3 LYS 49 3HZ LYS 49 10.721 16.977 -3.306 379 H ASP 50 H ASP 50 9.625 11.133 2.183 380 HA ASP 50 HA ASP 50 9.706 12.928 4.475 381 HB2 ASP 50 1HB ASP 50 8.353 10.697 4.499 382 HB3 ASP 50 2HB ASP 50 9.908 9.890 4.543 383 H ALA 51 H ALA 51 11.638 12.091 2.032 384 HA ALA 51 HA ALA 51 13.840 12.085 1.751 385 HB1 ALA 51 1HB ALA 51 14.881 13.374 3.265 386 HB2 ALA 51 2HB ALA 51 13.524 13.142 4.393 387 HB3 ALA 51 3HB ALA 51 14.902 12.016 4.416 388 H GLY 52 H GLY 52 13.120 10.214 4.790 389 HA2 GLY 52 1HA GLY 52 14.946 8.197 4.492 390 HA3 GLY 52 2HA GLY 52 13.380 8.029 5.260 391 H ILE 53 H ILE 53 12.067 8.857 2.557 392 HA ILE 53 HA ILE 53 12.134 6.153 1.463 393 HB ILE 53 HB ILE 53 10.171 8.421 1.107 394 HG12 ILE 53 1HG1 ILE 53 9.717 5.812 2.560 395 HG13 ILE 53 2HG1 ILE 53 10.353 7.224 3.379 396 HG21 ILE 53 1HG2 ILE 53 10.185 7.115 -0.902 397 HG22 ILE 53 2HG2 ILE 53 10.154 5.594 0.022 398 HG23 ILE 53 3HG2 ILE 53 8.741 6.676 0.041 399 HD11 ILE 53 1HD1 ILE 53 7.992 7.352 3.693 400 HD12 ILE 53 2HD1 ILE 53 8.334 8.519 2.392 401 HD13 ILE 53 3HD1 ILE 53 7.662 6.918 1.998 402 H SER 54 H SER 54 12.721 5.700 -0.659 403 HA SER 54 HA SER 54 13.992 7.950 -1.996 404 HB2 SER 54 1HB SER 54 15.066 5.523 -1.329 405 HB3 SER 54 2HB SER 54 14.491 5.159 -2.944 406 HG SER 54 HG SER 54 16.674 6.650 -2.168 407 H THR 55 H THR 55 13.926 7.815 -4.497 408 HA THR 55 HA THR 55 11.408 8.049 -5.451 409 HB THR 55 HB THR 55 12.540 7.577 -7.705 410 HG1 THR 55 HG1 THR 55 14.794 6.960 -7.471 411 HG21 THR 55 1HG2 THR 55 13.481 9.661 -7.608 412 HG22 THR 55 2HG2 THR 55 13.074 9.678 -5.876 413 HG23 THR 55 3HG2 THR 55 14.677 9.117 -6.408 414 H LYS 56 H LYS 56 13.387 5.058 -6.025 415 HA LYS 56 HA LYS 56 10.828 3.637 -6.208 416 HB2 LYS 56 1HB LYS 56 13.510 3.209 -7.518 417 HB3 LYS 56 2HB LYS 56 12.353 1.900 -7.386 418 HG2 LYS 56 1HG LYS 56 10.980 2.787 -8.986 419 HG3 LYS 56 2HG LYS 56 11.113 4.409 -8.337 420 HD2 LYS 56 1HD LYS 56 13.635 4.138 -9.341 421 HD3 LYS 56 2HD LYS 56 12.787 3.053 -10.425 422 HE2 LYS 56 1HE LYS 56 11.102 5.314 -10.271 423 HE3 LYS 56 2HE LYS 56 12.717 5.993 -10.304 424 HZ1 LYS 56 1HZ LYS 56 11.431 4.289 -12.288 425 HZ2 LYS 56 2HZ LYS 56 12.211 5.708 -12.503 426 HZ3 LYS 56 3HZ LYS 56 13.061 4.346 -12.207 427 H HIS 57 H HIS 57 10.940 3.865 -3.733 428 HA HIS 57 HA HIS 57 12.923 2.417 -2.363 429 HB2 HIS 57 1HB HIS 57 11.581 4.243 -1.382 430 HB3 HIS 57 2HB HIS 57 10.144 3.246 -1.481 431 HD2 HIS 57 HD2 HIS 57 11.124 0.486 -0.107 432 HE1 HIS 57 HE1 HIS 57 12.517 2.912 3.099 433 HE2 HIS 57 HE2 HIS 57 11.816 0.538 2.344 434 H LEU 58 H LEU 58 9.398 1.668 -2.886 435 HA LEU 58 HA LEU 58 10.055 -1.050 -3.504 436 HB2 LEU 58 1HB LEU 58 8.731 -2.015 -1.657 437 HB3 LEU 58 2HB LEU 58 10.244 -1.284 -1.158 438 HG LEU 58 HG LEU 58 9.137 0.598 -0.194 439 HD11 LEU 58 1HD1 LEU 58 6.581 0.708 -0.250 440 HD12 LEU 58 2HD1 LEU 58 7.459 1.184 -1.723 441 HD13 LEU 58 3HD1 LEU 58 6.683 -0.415 -1.628 442 HD21 LEU 58 1HD2 LEU 58 8.940 -0.774 1.554 443 HD22 LEU 58 2HD2 LEU 58 7.219 -0.892 1.116 444 HD23 LEU 58 3HD2 LEU 58 8.369 -2.125 0.545 445 H ARG 59 H ARG 59 7.871 -2.319 -3.803 446 HA ARG 59 HA ARG 59 5.813 -0.437 -4.591 447 HB2 ARG 59 1HB ARG 59 5.614 -1.311 -6.795 448 HB3 ARG 59 2HB ARG 59 7.347 -1.205 -6.560 449 HG2 ARG 59 1HG ARG 59 7.249 -3.662 -5.750 450 HG3 ARG 59 2HG ARG 59 5.604 -3.696 -6.353 451 HD2 ARG 59 1HD ARG 59 8.184 -3.396 -7.911 452 HD3 ARG 59 2HD ARG 59 6.857 -4.504 -8.194 453 HE ARG 59 HE ARG 59 5.641 -2.079 -8.587 454 HH11 ARG 59 1HH1 ARG 59 8.641 -3.438 -9.827 455 HH12 ARG 59 2HH1 ARG 59 8.582 -2.545 -11.310 456 HH21 ARG 59 1HH2 ARG 59 5.563 -0.900 -10.543 457 HH22 ARG 59 2HH2 ARG 59 6.819 -1.091 -11.720 458 H ILE 60 H ILE 60 3.678 -1.247 -4.309 459 HA ILE 60 HA ILE 60 3.571 -3.865 -3.003 460 HB ILE 60 HB ILE 60 1.780 -1.443 -2.879 461 HG12 ILE 60 1HG1 ILE 60 2.996 -2.738 -0.483 462 HG13 ILE 60 2HG1 ILE 60 4.070 -1.842 -1.539 463 HG21 ILE 60 1HG2 ILE 60 0.161 -2.588 -1.734 464 HG22 ILE 60 2HG2 ILE 60 0.681 -3.839 -2.888 465 HG23 ILE 60 3HG2 ILE 60 1.275 -3.874 -1.211 466 HD11 ILE 60 1HD1 ILE 60 2.004 -0.844 0.301 467 HD12 ILE 60 2HD1 ILE 60 3.374 0.020 -0.437 468 HD13 ILE 60 3HD1 ILE 60 1.845 -0.153 -1.332 469 H GLU 61 H GLU 61 2.457 -5.552 -3.896 470 HA GLU 61 HA GLU 61 0.671 -4.921 -6.085 471 HB2 GLU 61 1HB GLU 61 1.675 -6.691 -7.510 472 HB3 GLU 61 2HB GLU 61 2.812 -5.399 -7.183 473 HG2 GLU 61 1HG GLU 61 4.266 -6.877 -6.272 474 HG3 GLU 61 2HG GLU 61 3.080 -7.323 -5.060 475 H SER 62 H SER 62 -0.591 -7.010 -6.757 476 HA SER 62 HA SER 62 -0.969 -8.606 -4.344 477 HB2 SER 62 1HB SER 62 -3.013 -7.579 -4.329 478 HB3 SER 62 2HB SER 62 -2.895 -7.089 -6.008 479 HG SER 62 HG SER 62 -4.595 -8.714 -5.509 480 H ASP 63 H ASP 63 -1.704 -10.862 -4.730 481 HA ASP 63 HA ASP 63 -0.973 -11.729 -7.418 482 HB2 ASP 63 1HB ASP 63 0.681 -12.455 -5.734 483 HB3 ASP 63 2HB ASP 63 -0.589 -13.124 -4.729 484 H SER 64 H SER 64 -2.906 -12.314 -8.432 485 HA SER 64 HA SER 64 -4.826 -13.249 -8.813 486 HB2 SER 64 1HB SER 64 -3.552 -15.066 -6.932 487 HB3 SER 64 2HB SER 64 -5.285 -15.080 -6.673 488 HG SER 64 HG SER 64 -5.212 -15.198 -9.244 489 H GLY 65 H GLY 65 -5.051 -13.758 -5.241 490 HA2 GLY 65 1HA GLY 65 -6.980 -11.534 -5.081 491 HA3 GLY 65 2HA GLY 65 -7.427 -13.136 -4.530 492 H ASN 66 H ASN 66 -4.055 -12.098 -4.230 493 HA ASN 66 HA ASN 66 -4.551 -11.610 -1.401 494 HB2 ASN 66 1HB ASN 66 -2.299 -13.225 -2.699 495 HB3 ASN 66 2HB ASN 66 -2.236 -12.690 -1.032 496 HD21 ASN 66 1HD2 ASN 66 -2.920 -15.218 -2.947 497 HD22 ASN 66 2HD2 ASN 66 -4.060 -16.098 -1.985 498 H TRP 67 H TRP 67 -2.711 -10.267 -0.392 499 HA TRP 67 HA TRP 67 -1.531 -8.514 -2.438 500 HB2 TRP 67 1HB TRP 67 -2.504 -7.903 0.355 501 HB3 TRP 67 2HB TRP 67 -1.523 -6.804 -0.592 502 HD1 TRP 67 HD1 TRP 67 -5.085 -8.286 -0.517 503 HE1 TRP 67 HE1 TRP 67 -6.737 -6.876 -2.016 504 HE3 TRP 67 HE3 TRP 67 -1.514 -5.301 -2.565 505 HZ2 TRP 67 HZ2 TRP 67 -6.373 -4.719 -3.848 506 HZ3 TRP 67 HZ3 TRP 67 -2.247 -3.568 -4.200 507 HH2 TRP 67 HH2 TRP 67 -4.582 -3.252 -4.849 508 H VAL 68 H VAL 68 0.702 -8.128 -2.312 509 HA VAL 68 HA VAL 68 2.101 -9.326 -0.040 510 HB VAL 68 HB VAL 68 3.610 -10.497 -1.411 511 HG11 VAL 68 1HG1 VAL 68 2.099 -11.981 -2.800 512 HG12 VAL 68 2HG1 VAL 68 1.616 -11.769 -1.100 513 HG13 VAL 68 3HG1 VAL 68 0.765 -10.878 -2.384 514 HG21 VAL 68 1HG2 VAL 68 2.834 -8.570 -3.419 515 HG22 VAL 68 2HG2 VAL 68 4.251 -9.647 -3.371 516 HG23 VAL 68 3HG2 VAL 68 2.720 -10.221 -4.075 517 H ILE 69 H ILE 69 4.345 -8.469 0.187 518 HA ILE 69 HA ILE 69 4.583 -5.835 -1.091 519 HB ILE 69 HB ILE 69 3.822 -5.611 1.214 520 HG12 ILE 69 1HG1 ILE 69 6.603 -4.682 1.516 521 HG13 ILE 69 2HG1 ILE 69 5.870 -4.251 -0.016 522 HG21 ILE 69 1HG2 ILE 69 5.502 -6.220 3.041 523 HG22 ILE 69 2HG2 ILE 69 4.559 -7.545 2.318 524 HG23 ILE 69 3HG2 ILE 69 6.252 -7.290 1.831 525 HD11 ILE 69 1HD1 ILE 69 4.553 -2.688 0.964 526 HD12 ILE 69 2HD1 ILE 69 3.970 -3.856 2.175 527 HD13 ILE 69 3HD1 ILE 69 5.480 -2.957 2.460 528 H GLN 70 H GLN 70 6.662 -5.219 -1.762 529 HA GLN 70 HA GLN 70 8.757 -7.153 -1.243 530 HB2 GLN 70 1HB GLN 70 7.710 -7.760 -3.430 531 HB3 GLN 70 2HB GLN 70 8.033 -6.146 -4.031 532 HG2 GLN 70 1HG GLN 70 10.294 -6.541 -4.300 533 HG3 GLN 70 2HG GLN 70 10.400 -7.552 -2.873 534 HE21 GLN 70 1HE2 GLN 70 8.948 -9.611 -3.085 535 HE22 GLN 70 2HE2 GLN 70 9.177 -10.538 -4.530 536 H ASP 71 H ASP 71 10.618 -6.126 -0.625 537 HA ASP 71 HA ASP 71 10.634 -3.277 -0.789 538 HB2 ASP 71 1HB ASP 71 11.425 -4.282 1.267 539 HB3 ASP 71 2HB ASP 71 12.505 -5.360 0.407 540 H LEU 72 H LEU 72 11.273 -2.421 -2.788 541 HA LEU 72 HA LEU 72 12.968 -3.862 -4.546 542 HB2 LEU 72 1HB LEU 72 11.883 -1.047 -4.547 543 HB3 LEU 72 2HB LEU 72 12.896 -1.684 -5.827 544 HG LEU 72 HG LEU 72 11.259 -3.101 -6.631 545 HD11 LEU 72 1HD1 LEU 72 9.761 -2.935 -4.003 546 HD12 LEU 72 2HD1 LEU 72 9.360 -3.957 -5.404 547 HD13 LEU 72 3HD1 LEU 72 10.853 -4.256 -4.482 548 HD21 LEU 72 1HD2 LEU 72 9.350 -1.088 -5.494 549 HD22 LEU 72 2HD2 LEU 72 10.650 -0.555 -6.587 550 HD23 LEU 72 3HD2 LEU 72 9.460 -1.758 -7.139 551 H GLY 73 H GLY 73 14.530 -4.118 -2.512 552 HA2 GLY 73 1HA GLY 73 16.407 -3.462 -1.399 553 HA3 GLY 73 2HA GLY 73 16.965 -3.204 -3.040 554 H SER 74 H SER 74 14.725 -1.466 -0.751 555 HA SER 74 HA SER 74 15.460 1.029 -1.782 556 HB2 SER 74 1HB SER 74 13.924 1.916 -0.251 557 HB3 SER 74 2HB SER 74 13.318 0.286 -0.470 558 HG SER 74 HG SER 74 13.862 -0.248 1.560 559 H SER 75 H SER 75 16.610 2.788 -0.601 560 HA SER 75 HA SER 75 18.927 1.713 0.670 561 HB2 SER 75 1HB SER 75 18.175 4.164 -0.718 562 HB3 SER 75 2HB SER 75 18.978 4.555 0.790 563 HG SER 75 HG SER 75 19.981 2.887 -1.351 564 H ASN 76 H ASN 76 17.610 0.853 2.566 565 HA ASN 76 HA ASN 76 18.061 2.280 4.801 566 HB2 ASN 76 1HB ASN 76 15.783 3.380 3.452 567 HB3 ASN 76 2HB ASN 76 15.142 2.483 4.815 568 HD21 ASN 76 1HD2 ASN 76 15.339 5.375 4.252 569 HD22 ASN 76 2HD2 ASN 76 16.148 6.094 5.604 570 H GLY 77 H GLY 77 15.256 0.492 3.298 571 HA2 GLY 77 1HA GLY 77 15.137 -1.904 3.663 572 HA3 GLY 77 2HA GLY 77 15.638 -1.634 5.320 573 H THR 78 H THR 78 13.115 -2.853 4.091 574 HA THR 78 HA THR 78 11.134 -0.993 5.212 575 HB THR 78 HB THR 78 10.712 -3.439 3.422 576 HG1 THR 78 HG1 THR 78 11.430 -2.057 1.849 577 HG21 THR 78 1HG2 THR 78 9.040 -0.901 3.601 578 HG22 THR 78 2HG2 THR 78 8.570 -2.494 2.961 579 HG23 THR 78 3HG2 THR 78 8.743 -2.256 4.716 580 H LEU 79 H LEU 79 9.788 -1.555 6.888 581 HA LEU 79 HA LEU 79 10.443 -4.134 8.136 582 HB2 LEU 79 1HB LEU 79 10.020 -1.399 9.284 583 HB3 LEU 79 2HB LEU 79 9.637 -2.815 10.243 584 HG LEU 79 HG LEU 79 12.348 -2.335 8.980 585 HD11 LEU 79 1HD1 LEU 79 11.300 -1.573 11.709 586 HD12 LEU 79 2HD1 LEU 79 13.034 -1.780 11.365 587 HD13 LEU 79 3HD1 LEU 79 12.096 -0.545 10.493 588 HD21 LEU 79 1HD2 LEU 79 11.983 -4.074 11.361 589 HD22 LEU 79 2HD2 LEU 79 11.369 -4.690 9.808 590 HD23 LEU 79 3HD2 LEU 79 13.082 -4.234 9.970 591 H LEU 80 H LEU 80 8.747 -5.452 8.809 592 HA LEU 80 HA LEU 80 6.064 -4.405 8.245 593 HB2 LEU 80 1HB LEU 80 6.859 -5.844 6.413 594 HB3 LEU 80 2HB LEU 80 7.120 -7.150 7.552 595 HG LEU 80 HG LEU 80 4.715 -7.235 8.043 596 HD11 LEU 80 1HD1 LEU 80 3.449 -5.446 7.697 597 HD12 LEU 80 2HD1 LEU 80 4.716 -4.671 6.715 598 HD13 LEU 80 3HD1 LEU 80 3.546 -5.773 5.950 599 HD21 LEU 80 1HD2 LEU 80 5.568 -8.687 6.314 600 HD22 LEU 80 2HD2 LEU 80 3.956 -8.095 5.848 601 HD23 LEU 80 3HD2 LEU 80 5.411 -7.396 5.099 602 H ASN 81 H ASN 81 5.077 -4.196 10.182 603 HA ASN 81 HA ASN 81 4.309 -4.670 12.153 604 HB2 ASN 81 1HB ASN 81 5.008 -7.501 11.265 605 HB3 ASN 81 2HB ASN 81 4.360 -7.212 12.868 606 HD21 ASN 81 1HD2 ASN 81 3.491 -8.270 10.017 607 HD22 ASN 81 2HD2 ASN 81 1.865 -7.692 9.858 608 H SER 82 H SER 82 6.741 -7.359 12.144 609 HA SER 82 HA SER 82 8.531 -5.766 13.734 610 HB2 SER 82 1HB SER 82 6.889 -8.029 14.804 611 HB3 SER 82 2HB SER 82 8.577 -8.015 15.276 612 HG SER 82 HG SER 82 6.615 -6.598 16.368 613 H ASN 83 H ASN 83 9.303 -6.290 11.316 614 HA ASN 83 HA ASN 83 11.410 -8.078 11.588 615 HB2 ASN 83 1HB ASN 83 8.973 -9.329 10.767 616 HB3 ASN 83 2HB ASN 83 9.932 -9.180 9.308 617 HD21 ASN 83 1HD2 ASN 83 9.167 -11.526 10.884 618 HD22 ASN 83 2HD2 ASN 83 10.627 -12.351 11.318 619 H ALA 84 H ALA 84 12.930 -7.678 9.854 620 HA ALA 84 HA ALA 84 12.216 -5.438 8.171 621 HB1 ALA 84 1HB ALA 84 14.846 -6.341 7.630 622 HB2 ALA 84 2HB ALA 84 14.360 -4.957 8.639 623 HB3 ALA 84 3HB ALA 84 14.600 -6.558 9.379 624 H LEU 85 H LEU 85 11.546 -5.618 6.090 625 HA LEU 85 HA LEU 85 11.205 -8.172 4.944 626 HB2 LEU 85 1HB LEU 85 11.014 -5.434 3.681 627 HB3 LEU 85 2HB LEU 85 10.398 -6.929 3.003 628 HG LEU 85 HG LEU 85 9.452 -5.785 5.642 629 HD11 LEU 85 1HD1 LEU 85 7.564 -5.596 3.433 630 HD12 LEU 85 2HD1 LEU 85 8.069 -4.370 4.621 631 HD13 LEU 85 3HD1 LEU 85 9.036 -4.634 3.150 632 HD21 LEU 85 1HD2 LEU 85 7.794 -7.615 3.982 633 HD22 LEU 85 2HD2 LEU 85 9.191 -8.317 4.834 634 HD23 LEU 85 3HD2 LEU 85 7.927 -7.462 5.750 635 H ASP 86 H ASP 86 12.005 -8.513 2.531 636 HA ASP 86 HA ASP 86 14.795 -7.705 2.415 637 HB2 ASP 86 1HB ASP 86 13.931 -10.294 3.037 638 HB3 ASP 86 2HB ASP 86 14.216 -10.392 1.311 639 HA PRO 87 HA PRO 87 13.714 -7.032 -1.782 640 HB2 PRO 87 1HB PRO 87 16.149 -7.120 -3.021 641 HB3 PRO 87 2HB PRO 87 15.569 -5.717 -2.146 642 HG2 PRO 87 1HG PRO 87 17.603 -7.700 -1.329 643 HG3 PRO 87 2HG PRO 87 17.317 -6.094 -0.689 644 HD2 PRO 87 1HD PRO 87 16.562 -8.582 0.520 645 HD3 PRO 87 2HD PRO 87 16.175 -6.975 1.101 646 H GLU 88 H GLU 88 15.712 -9.825 -1.158 647 HA GLU 88 HA GLU 88 14.711 -10.997 -3.601 648 HB2 GLU 88 1HB GLU 88 16.743 -12.017 -1.566 649 HB3 GLU 88 2HB GLU 88 16.320 -12.847 -3.050 650 HG2 GLU 88 1HG GLU 88 16.973 -10.653 -4.280 651 HG3 GLU 88 2HG GLU 88 17.684 -10.139 -2.763 652 H THR 89 H THR 89 12.925 -10.411 -1.272 653 HA THR 89 HA THR 89 11.814 -13.085 -1.039 654 HB THR 89 HB THR 89 12.461 -11.356 1.406 655 HG1 THR 89 HG1 THR 89 13.571 -13.770 0.161 656 HG21 THR 89 1HG2 THR 89 11.350 -14.182 1.022 657 HG22 THR 89 2HG2 THR 89 12.024 -13.600 2.563 658 HG23 THR 89 3HG2 THR 89 10.571 -12.831 1.881 659 H SER 90 H SER 90 9.572 -13.124 -0.703 660 HA SER 90 HA SER 90 8.369 -10.469 -0.756 661 HB2 SER 90 1HB SER 90 6.670 -11.304 -2.332 662 HB3 SER 90 2HB SER 90 8.275 -11.479 -3.012 663 HG SER 90 HG SER 90 6.531 -13.508 -1.962 664 H VAL 91 H VAL 91 6.783 -10.160 0.791 665 HA VAL 91 HA VAL 91 5.888 -12.574 2.204 666 HB VAL 91 HB VAL 91 5.933 -9.748 3.256 667 HG11 VAL 91 1HG1 VAL 91 4.670 -10.786 4.814 668 HG12 VAL 91 2HG1 VAL 91 5.205 -12.409 4.318 669 HG13 VAL 91 3HG1 VAL 91 6.228 -11.424 5.391 670 HG21 VAL 91 1HG2 VAL 91 8.042 -10.251 4.367 671 HG22 VAL 91 2HG2 VAL 91 8.076 -11.869 3.625 672 HG23 VAL 91 3HG2 VAL 91 8.226 -10.418 2.604 673 H ASN 92 H ASN 92 3.628 -12.534 3.012 674 HA ASN 92 HA ASN 92 1.977 -11.272 1.007 675 HB2 ASN 92 1HB ASN 92 1.619 -13.547 2.984 676 HB3 ASN 92 2HB ASN 92 0.190 -12.756 2.348 677 HD21 ASN 92 1HD2 ASN 92 3.189 -14.397 1.468 678 HD22 ASN 92 2HD2 ASN 92 2.671 -15.027 -0.060 679 H LEU 93 H LEU 93 0.778 -9.432 1.540 680 HA LEU 93 HA LEU 93 1.020 -8.266 4.080 681 HB2 LEU 93 1HB LEU 93 -0.611 -7.705 1.624 682 HB3 LEU 93 2HB LEU 93 -0.887 -6.798 3.098 683 HG LEU 93 HG LEU 93 1.702 -6.948 1.530 684 HD11 LEU 93 1HD1 LEU 93 0.772 -5.326 0.324 685 HD12 LEU 93 2HD1 LEU 93 -0.605 -5.177 1.442 686 HD13 LEU 93 3HD1 LEU 93 0.906 -4.296 1.769 687 HD21 LEU 93 1HD2 LEU 93 2.369 -5.085 3.180 688 HD22 LEU 93 2HD2 LEU 93 1.077 -5.737 4.216 689 HD23 LEU 93 3HD2 LEU 93 2.441 -6.775 3.734 690 H GLY 94 H GLY 94 -0.938 -7.594 5.446 691 HA2 GLY 94 1HA GLY 94 -3.063 -9.613 5.447 692 HA3 GLY 94 2HA GLY 94 -2.038 -9.493 6.864 693 H ASP 95 H ASP 95 -4.249 -8.963 7.860 694 HA ASP 95 HA ASP 95 -5.036 -6.236 7.300 695 HB2 ASP 95 1HB ASP 95 -6.685 -7.254 9.340 696 HB3 ASP 95 2HB ASP 95 -7.089 -7.138 7.639 697 H GLY 96 H GLY 96 -4.140 -4.641 8.613 698 HA2 GLY 96 1HA GLY 96 -3.756 -3.624 10.656 699 HA3 GLY 96 2HA GLY 96 -3.814 -5.178 11.465 700 H ASP 97 H ASP 97 -1.941 -4.940 8.484 701 HA ASP 97 HA ASP 97 0.409 -5.532 9.992 702 HB2 ASP 97 1HB ASP 97 -0.053 -5.152 6.996 703 HB3 ASP 97 2HB ASP 97 1.458 -5.698 7.695 704 H VAL 98 H VAL 98 1.869 -3.940 10.645 705 HA VAL 98 HA VAL 98 1.525 -1.274 9.522 706 HB VAL 98 HB VAL 98 2.740 -2.435 12.005 707 HG11 VAL 98 1HG1 VAL 98 3.735 -0.293 12.585 708 HG12 VAL 98 2HG1 VAL 98 4.435 -0.890 11.061 709 HG13 VAL 98 3HG1 VAL 98 3.212 0.403 11.033 710 HG21 VAL 98 1HG2 VAL 98 1.354 -0.461 12.954 711 HG22 VAL 98 2HG2 VAL 98 0.599 -0.416 11.342 712 HG23 VAL 98 3HG2 VAL 98 0.491 -1.890 12.335 713 H ILE 99 H ILE 99 2.874 -0.482 7.992 714 HA ILE 99 HA ILE 99 5.360 -1.975 7.552 715 HB ILE 99 HB ILE 99 3.836 -0.214 5.631 716 HG12 ILE 99 1HG1 ILE 99 3.927 -3.232 5.577 717 HG13 ILE 99 2HG1 ILE 99 2.673 -2.364 6.440 718 HG21 ILE 99 1HG2 ILE 99 5.839 -2.262 4.787 719 HG22 ILE 99 2HG2 ILE 99 5.377 -0.721 4.025 720 HG23 ILE 99 3HG2 ILE 99 6.430 -0.723 5.461 721 HD11 ILE 99 1HD1 ILE 99 2.910 -1.121 3.868 722 HD12 ILE 99 2HD1 ILE 99 2.873 -2.881 3.607 723 HD13 ILE 99 3HD1 ILE 99 1.552 -2.085 4.496 724 H LYS 100 H LYS 100 7.041 -1.025 8.580 725 HA LYS 100 HA LYS 100 7.017 1.888 8.784 726 HB2 LYS 100 1HB LYS 100 8.148 -0.341 10.385 727 HB3 LYS 100 2HB LYS 100 9.146 1.095 10.267 728 HG2 LYS 100 1HG LYS 100 7.487 2.491 11.252 729 HG3 LYS 100 2HG LYS 100 6.192 1.361 10.908 730 HD2 LYS 100 1HD LYS 100 8.457 0.869 12.900 731 HD3 LYS 100 2HD LYS 100 6.835 1.373 13.331 732 HE2 LYS 100 1HE LYS 100 6.323 -0.847 11.740 733 HE3 LYS 100 2HE LYS 100 7.824 -1.310 12.517 734 HZ1 LYS 100 1HZ LYS 100 6.522 -0.349 14.578 735 HZ2 LYS 100 2HZ LYS 100 5.238 -0.837 13.694 736 HZ3 LYS 100 3HZ LYS 100 6.395 -1.910 14.115 737 H LEU 101 H LEU 101 7.849 2.855 6.997 738 HA LEU 101 HA LEU 101 10.405 1.776 6.037 739 HB2 LEU 101 1HB LEU 101 9.802 2.241 3.790 740 HB3 LEU 101 2HB LEU 101 8.564 1.225 4.502 741 HG LEU 101 HG LEU 101 8.082 4.164 4.569 742 HD11 LEU 101 1HD1 LEU 101 7.500 2.703 2.008 743 HD12 LEU 101 2HD1 LEU 101 7.577 4.453 2.328 744 HD13 LEU 101 3HD1 LEU 101 9.074 3.493 2.264 745 HD21 LEU 101 1HD2 LEU 101 6.074 3.433 5.155 746 HD22 LEU 101 2HD2 LEU 101 5.894 2.658 3.563 747 HD23 LEU 101 3HD2 LEU 101 6.595 1.748 4.922 748 H GLY 102 H GLY 102 11.577 3.584 4.674 749 HA2 GLY 102 1HA GLY 102 12.475 5.649 4.581 750 HA3 GLY 102 2HA GLY 102 11.012 6.294 5.298 751 H GLU 103 H GLU 103 11.510 7.475 7.092 752 HA GLU 103 HA GLU 103 13.678 6.468 8.746 753 HB2 GLU 103 1HB GLU 103 12.379 9.226 8.636 754 HB3 GLU 103 2HB GLU 103 13.684 8.786 9.720 755 HG2 GLU 103 1HG GLU 103 14.749 7.958 7.326 756 HG3 GLU 103 2HG GLU 103 13.751 9.288 6.773 757 H TYR 104 H TYR 104 10.372 7.962 8.996 758 HA TYR 104 HA TYR 104 9.855 6.193 11.257 759 HB2 TYR 104 1HB TYR 104 9.664 9.260 11.088 760 HB3 TYR 104 2HB TYR 104 8.813 8.358 12.326 761 HD1 TYR 104 HD2 TYR 104 10.118 7.070 14.049 762 HD2 TYR 104 HD1 TYR 104 12.007 9.721 11.273 763 HE1 TYR 104 HE2 TYR 104 12.192 7.141 15.517 764 HE2 TYR 104 HE1 TYR 104 14.075 9.783 12.751 765 HH TYR 104 HH TYR 104 15.139 8.515 14.407 766 H THR 105 H THR 105 9.012 6.290 8.392 767 HA THR 105 HA THR 105 6.238 7.170 8.603 768 HB THR 105 HB THR 105 8.084 6.266 6.344 769 HG1 THR 105 HG1 THR 105 8.189 8.484 7.123 770 HG21 THR 105 1HG2 THR 105 5.800 7.372 5.188 771 HG22 THR 105 2HG2 THR 105 6.181 5.634 5.212 772 HG23 THR 105 3HG2 THR 105 5.115 6.329 6.457 773 H SER 106 H SER 106 4.693 5.856 9.316 774 HA SER 106 HA SER 106 5.168 3.007 8.907 775 HB2 SER 106 1HB SER 106 3.496 4.285 11.113 776 HB3 SER 106 2HB SER 106 3.886 2.584 10.954 777 HG SER 106 HG SER 106 5.624 3.004 12.118 778 H ILE 107 H ILE 107 3.632 1.907 7.708 779 HA ILE 107 HA ILE 107 1.152 3.378 7.145 780 HB ILE 107 HB ILE 107 2.598 1.421 5.358 781 HG12 ILE 107 1HG1 ILE 107 2.497 4.445 5.154 782 HG13 ILE 107 2HG1 ILE 107 3.874 3.530 5.733 783 HG21 ILE 107 1HG2 ILE 107 -0.051 2.642 5.299 784 HG22 ILE 107 2HG2 ILE 107 0.893 2.978 3.828 785 HG23 ILE 107 3HG2 ILE 107 0.618 1.297 4.345 786 HD11 ILE 107 1HD1 ILE 107 3.742 2.224 3.488 787 HD12 ILE 107 2HD1 ILE 107 2.664 3.533 2.946 788 HD13 ILE 107 3HD1 ILE 107 4.338 3.901 3.428 789 H LEU 108 H LEU 108 -0.818 2.246 7.234 790 HA LEU 108 HA LEU 108 -0.579 -0.376 8.531 791 HB2 LEU 108 1HB LEU 108 -1.611 0.885 10.109 792 HB3 LEU 108 2HB LEU 108 -2.343 1.971 8.945 793 HG LEU 108 HG LEU 108 -3.992 0.205 8.360 794 HD11 LEU 108 1HD1 LEU 108 -3.860 -1.503 10.589 795 HD12 LEU 108 2HD1 LEU 108 -3.572 -1.910 8.880 796 HD13 LEU 108 3HD1 LEU 108 -2.210 -1.437 9.923 797 HD21 LEU 108 1HD2 LEU 108 -4.172 1.996 10.281 798 HD22 LEU 108 2HD2 LEU 108 -5.423 0.748 10.066 799 HD23 LEU 108 3HD2 LEU 108 -4.181 0.555 11.326 800 H VAL 109 H VAL 109 -1.800 -2.127 7.759 801 HA VAL 109 HA VAL 109 -2.899 -1.665 5.080 802 HB VAL 109 HB VAL 109 -1.717 -4.085 6.443 803 HG11 VAL 109 1HG1 VAL 109 -3.728 -4.718 5.117 804 HG12 VAL 109 2HG1 VAL 109 -2.977 -3.981 3.682 805 HG13 VAL 109 3HG1 VAL 109 -2.215 -5.388 4.463 806 HG21 VAL 109 1HG2 VAL 109 -0.179 -3.981 4.438 807 HG22 VAL 109 2HG2 VAL 109 -0.897 -2.396 4.064 808 HG23 VAL 109 3HG2 VAL 109 -0.020 -2.637 5.594 809 H ASN 110 H ASN 110 -5.074 -1.472 5.015 810 HA ASN 110 HA ASN 110 -6.547 -3.058 6.969 811 HB2 ASN 110 1HB ASN 110 -6.732 -0.218 6.180 812 HB3 ASN 110 2HB ASN 110 -8.277 -1.029 6.017 813 HD21 ASN 110 1HD2 ASN 110 -5.640 -1.736 8.271 814 HD22 ASN 110 2HD2 ASN 110 -6.497 -1.401 9.739 815 H PHE 111 H PHE 111 -8.005 -4.539 6.054 816 HA PHE 111 HA PHE 111 -8.238 -4.499 3.159 817 HB2 PHE 111 1HB PHE 111 -8.852 -6.433 5.458 818 HB3 PHE 111 2HB PHE 111 -9.406 -6.783 3.833 819 HD1 PHE 111 HD1 PHE 111 -7.058 -5.827 2.257 820 HD2 PHE 111 HD2 PHE 111 -7.256 -8.092 5.841 821 HE1 PHE 111 HE1 PHE 111 -4.836 -6.866 1.724 822 HE2 PHE 111 HE2 PHE 111 -5.034 -9.131 5.307 823 HZ PHE 111 HZ PHE 111 -3.851 -8.505 3.255 824 H VAL 112 H VAL 112 -9.876 -3.231 2.382 825 HA VAL 112 HA VAL 112 -12.317 -3.031 3.945 826 HB VAL 112 HB VAL 112 -11.578 -1.662 1.357 827 HG11 VAL 112 1HG1 VAL 112 -13.238 -0.013 2.011 828 HG12 VAL 112 2HG1 VAL 112 -13.975 -1.633 2.003 829 HG13 VAL 112 3HG1 VAL 112 -13.528 -0.867 3.546 830 HG21 VAL 112 1HG2 VAL 112 -11.069 -0.721 4.200 831 HG22 VAL 112 2HG2 VAL 112 -9.833 -1.209 3.015 832 HG23 VAL 112 3HG2 VAL 112 -10.822 0.242 2.724 833 H SER 113 H SER 113 -13.931 -4.466 3.635 834 HA SER 113 HA SER 113 -14.006 -5.767 1.031 835 HB2 SER 113 1HB SER 113 -13.715 -7.231 3.048 836 HB3 SER 113 2HB SER 113 -15.246 -6.653 3.675 837 HG SER 113 HG SER 113 -14.726 -8.524 1.650 838 H GLY 114 H GLY 114 -15.623 -5.129 -0.346 839 HA2 GLY 114 1HA GLY 114 -17.763 -4.642 -0.987 840 HA3 GLY 114 2HA GLY 114 -18.263 -4.539 0.689 841 HA PRO 115 HA PRO 115 -17.807 -0.291 -0.965 842 HB2 PRO 115 1HB PRO 115 -20.421 0.498 -0.849 843 HB3 PRO 115 2HB PRO 115 -19.668 -0.113 -2.309 844 HG2 PRO 115 1HG PRO 115 -21.572 -1.469 -0.500 845 HG3 PRO 115 2HG PRO 115 -21.145 -1.877 -2.150 846 HD2 PRO 115 1HD PRO 115 -20.244 -3.196 0.233 847 HD3 PRO 115 2HD PRO 115 -19.728 -3.529 -1.408 848 H SER 116 H SER 116 -19.952 -1.384 1.600 849 HA SER 116 HA SER 116 -20.128 -0.773 3.675 850 HB2 SER 116 1HB SER 116 -17.323 -0.074 3.058 851 HB3 SER 116 2HB SER 116 -17.981 0.867 4.381 852 HG SER 116 HG SER 116 -17.413 -1.894 4.235 853 H SER 117 H SER 117 -21.369 0.826 4.672 854 HA SER 117 HA SER 117 -20.911 3.537 4.310 855 HB2 SER 117 1HB SER 117 -21.744 3.204 2.028 856 HB3 SER 117 2HB SER 117 -23.165 2.367 2.623 857 HG SER 117 HG SER 117 -22.508 5.126 3.225 858 H GLY 118 H GLY 118 -23.709 1.210 4.530 859 HA2 GLY 118 1HA GLY 118 -24.951 0.709 6.391 860 HA3 GLY 118 2HA GLY 118 -24.148 1.977 7.295
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