NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17719 | 2ctk | 11136 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 8.038 -12.981 -24.008 2 HA2 GLY 1 1HA GLY 1 10.542 -13.769 -23.974 3 HA3 GLY 1 2HA GLY 1 10.804 -12.039 -23.806 4 H SER 2 H SER 2 8.337 -14.172 -22.390 5 HA SER 2 HA SER 2 9.471 -13.680 -19.737 6 HB2 SER 2 1HB SER 2 6.702 -12.931 -20.642 7 HB3 SER 2 2HB SER 2 7.029 -13.306 -18.951 8 HG SER 2 HG SER 2 7.530 -11.250 -18.917 9 H SER 3 H SER 3 9.432 -15.432 -18.470 10 HA SER 3 HA SER 3 7.400 -17.431 -18.606 11 HB2 SER 3 1HB SER 3 8.817 -17.955 -20.632 12 HB3 SER 3 2HB SER 3 10.146 -18.300 -19.526 13 HG SER 3 HG SER 3 7.623 -19.602 -19.589 14 H GLY 4 H GLY 4 7.874 -19.270 -17.115 15 HA2 GLY 4 1HA GLY 4 9.320 -20.140 -15.352 16 HA3 GLY 4 2HA GLY 4 9.806 -18.483 -15.025 17 H SER 5 H SER 5 8.736 -20.421 -13.163 18 HA SER 5 HA SER 5 6.850 -18.762 -11.843 19 HB2 SER 5 1HB SER 5 5.415 -19.867 -13.618 20 HB3 SER 5 2HB SER 5 5.723 -21.399 -12.802 21 HG SER 5 HG SER 5 4.464 -19.104 -11.705 22 H SER 6 H SER 6 7.204 -19.045 -9.747 23 HA SER 6 HA SER 6 7.423 -21.617 -8.533 24 HB2 SER 6 1HB SER 6 9.699 -21.423 -9.485 25 HB3 SER 6 2HB SER 6 9.926 -19.913 -8.602 26 HG SER 6 HG SER 6 10.815 -21.665 -7.461 27 H GLY 7 H GLY 7 6.994 -21.525 -6.376 28 HA2 GLY 7 1HA GLY 7 7.449 -19.217 -4.770 29 HA3 GLY 7 2HA GLY 7 5.768 -19.303 -5.275 30 H LYS 8 H LYS 8 8.295 -21.396 -3.882 31 HA LYS 8 HA LYS 8 6.279 -22.956 -2.493 32 HB2 LYS 8 1HB LYS 8 9.280 -23.164 -2.700 33 HB3 LYS 8 2HB LYS 8 8.337 -24.191 -1.629 34 HG2 LYS 8 1HG LYS 8 8.666 -25.454 -3.571 35 HG3 LYS 8 2HG LYS 8 7.006 -24.862 -3.681 36 HD2 LYS 8 1HD LYS 8 7.588 -23.231 -5.284 37 HD3 LYS 8 2HD LYS 8 9.314 -23.422 -4.965 38 HE2 LYS 8 1HE LYS 8 8.870 -25.886 -5.734 39 HE3 LYS 8 2HE LYS 8 7.459 -25.175 -6.514 40 HZ1 LYS 8 1HZ LYS 8 8.715 -24.192 -8.061 41 HZ2 LYS 8 2HZ LYS 8 9.911 -25.298 -7.605 42 HZ3 LYS 8 3HZ LYS 8 9.918 -23.733 -6.962 43 H GLU 9 H GLU 9 6.025 -23.078 -0.273 44 HA GLU 9 HA GLU 9 7.678 -21.532 1.505 45 HB2 GLU 9 1HB GLU 9 5.799 -20.134 2.350 46 HB3 GLU 9 2HB GLU 9 6.289 -19.737 0.708 47 HG2 GLU 9 1HG GLU 9 4.399 -21.077 -0.142 48 HG3 GLU 9 2HG GLU 9 3.887 -21.357 1.522 49 H ALA 10 H ALA 10 7.732 -22.480 3.444 50 HA ALA 10 HA ALA 10 5.494 -24.238 4.206 51 HB1 ALA 10 1HB ALA 10 7.160 -25.785 5.205 52 HB2 ALA 10 2HB ALA 10 7.268 -25.667 3.448 53 HB3 ALA 10 3HB ALA 10 8.439 -24.825 4.462 54 H LEU 11 H LEU 11 4.588 -22.885 5.701 55 HA LEU 11 HA LEU 11 6.065 -22.553 8.182 56 HB2 LEU 11 1HB LEU 11 6.593 -20.491 7.121 57 HB3 LEU 11 2HB LEU 11 4.924 -20.262 6.601 58 HG LEU 11 HG LEU 11 5.574 -20.339 9.519 59 HD11 LEU 11 1HD1 LEU 11 7.136 -18.746 8.321 60 HD12 LEU 11 2HD1 LEU 11 6.124 -18.050 9.586 61 HD13 LEU 11 3HD1 LEU 11 5.701 -17.817 7.890 62 HD21 LEU 11 1HD2 LEU 11 3.678 -18.610 9.421 63 HD22 LEU 11 2HD2 LEU 11 3.275 -20.302 9.131 64 HD23 LEU 11 3HD2 LEU 11 3.426 -19.186 7.773 65 H GLU 12 H GLU 12 4.799 -22.961 9.881 66 HA GLU 12 HA GLU 12 1.890 -22.651 9.578 67 HB2 GLU 12 1HB GLU 12 2.295 -24.998 9.312 68 HB3 GLU 12 2HB GLU 12 3.376 -25.028 10.698 69 HG2 GLU 12 1HG GLU 12 1.600 -24.762 12.220 70 HG3 GLU 12 2HG GLU 12 0.472 -24.317 10.942 71 H ALA 13 H ALA 13 1.122 -21.319 11.065 72 HA ALA 13 HA ALA 13 2.020 -21.502 13.817 73 HB1 ALA 13 1HB ALA 13 2.184 -18.844 12.412 74 HB2 ALA 13 2HB ALA 13 2.687 -19.230 14.058 75 HB3 ALA 13 3HB ALA 13 3.576 -19.893 12.686 76 H LEU 14 H LEU 14 0.768 -19.810 15.176 77 HA LEU 14 HA LEU 14 -2.005 -19.755 14.185 78 HB2 LEU 14 1HB LEU 14 -2.465 -19.526 16.737 79 HB3 LEU 14 2HB LEU 14 -2.122 -21.104 16.030 80 HG LEU 14 HG LEU 14 0.083 -19.493 17.255 81 HD11 LEU 14 1HD1 LEU 14 -0.875 -21.409 19.116 82 HD12 LEU 14 2HD1 LEU 14 -2.222 -20.367 18.657 83 HD13 LEU 14 3HD1 LEU 14 -0.741 -19.660 19.303 84 HD21 LEU 14 1HD2 LEU 14 0.129 -21.794 15.879 85 HD22 LEU 14 2HD2 LEU 14 -0.141 -22.428 17.503 86 HD23 LEU 14 3HD2 LEU 14 1.267 -21.418 17.173 87 H VAL 15 H VAL 15 0.347 -17.965 16.153 88 HA VAL 15 HA VAL 15 -1.284 -15.600 16.241 89 HB VAL 15 HB VAL 15 1.617 -15.997 16.982 90 HG11 VAL 15 1HG1 VAL 15 1.673 -13.862 17.861 91 HG12 VAL 15 2HG1 VAL 15 0.714 -13.625 16.398 92 HG13 VAL 15 3HG1 VAL 15 -0.083 -13.746 17.967 93 HG21 VAL 15 1HG2 VAL 15 0.244 -17.334 18.396 94 HG22 VAL 15 2HG2 VAL 15 0.693 -15.897 19.314 95 HG23 VAL 15 3HG2 VAL 15 -0.918 -16.025 18.608 96 HA PRO 16 HA PRO 16 -0.046 -13.860 12.380 97 HB2 PRO 16 1HB PRO 16 -0.737 -11.282 12.877 98 HB3 PRO 16 2HB PRO 16 -1.925 -12.549 12.550 99 HG2 PRO 16 1HG PRO 16 -1.050 -11.405 15.174 100 HG3 PRO 16 2HG PRO 16 -2.685 -11.805 14.618 101 HD2 PRO 16 1HD PRO 16 -1.272 -13.422 16.266 102 HD3 PRO 16 2HD PRO 16 -2.428 -14.049 15.074 103 H VAL 17 H VAL 17 1.141 -11.729 11.664 104 HA VAL 17 HA VAL 17 3.256 -10.957 13.515 105 HB VAL 17 HB VAL 17 4.958 -11.343 11.632 106 HG11 VAL 17 1HG1 VAL 17 4.957 -12.595 13.722 107 HG12 VAL 17 2HG1 VAL 17 3.759 -13.712 13.065 108 HG13 VAL 17 3HG1 VAL 17 5.378 -13.641 12.367 109 HG21 VAL 17 1HG2 VAL 17 3.867 -11.943 9.727 110 HG22 VAL 17 2HG2 VAL 17 4.151 -13.553 10.389 111 HG23 VAL 17 3HG2 VAL 17 2.579 -12.780 10.594 112 H THR 18 H THR 18 4.328 -9.032 12.942 113 HA THR 18 HA THR 18 2.792 -7.355 11.111 114 HB THR 18 HB THR 18 4.909 -6.614 13.138 115 HG1 THR 18 1HG THR 18 2.937 -7.252 14.084 116 HG21 THR 18 1HG2 THR 18 5.090 -4.738 11.916 117 HG22 THR 18 2HG2 THR 18 3.494 -4.337 12.552 118 HG23 THR 18 3HG2 THR 18 3.647 -5.107 10.974 119 H ILE 19 H ILE 19 3.601 -6.444 9.289 120 HA ILE 19 HA ILE 19 6.399 -7.076 8.604 121 HB ILE 19 HB ILE 19 5.687 -7.159 6.232 122 HG12 ILE 19 1HG1 ILE 19 2.871 -7.196 7.332 123 HG13 ILE 19 2HG1 ILE 19 3.610 -5.786 6.583 124 HG21 ILE 19 1HG2 ILE 19 5.565 -9.116 8.112 125 HG22 ILE 19 2HG2 ILE 19 3.945 -9.195 7.424 126 HG23 ILE 19 3HG2 ILE 19 5.355 -9.375 6.380 127 HD11 ILE 19 1HD1 ILE 19 2.108 -7.604 5.276 128 HD12 ILE 19 2HD1 ILE 19 3.333 -6.591 4.511 129 HD13 ILE 19 3HD1 ILE 19 3.726 -8.244 4.986 130 H GLU 20 H GLU 20 6.885 -5.652 6.451 131 HA GLU 20 HA GLU 20 6.088 -2.883 7.049 132 HB2 GLU 20 1HB GLU 20 8.821 -4.048 6.870 133 HB3 GLU 20 2HB GLU 20 8.578 -2.443 6.198 134 HG2 GLU 20 1HG GLU 20 7.662 -1.714 8.374 135 HG3 GLU 20 2HG GLU 20 8.039 -3.306 9.029 136 H VAL 21 H VAL 21 5.415 -1.768 5.333 137 HA VAL 21 HA VAL 21 6.094 -2.792 2.652 138 HB VAL 21 HB VAL 21 3.510 -1.394 3.322 139 HG11 VAL 21 1HG1 VAL 21 3.078 -3.005 1.166 140 HG12 VAL 21 2HG1 VAL 21 3.486 -1.290 1.082 141 HG13 VAL 21 3HG1 VAL 21 4.752 -2.508 0.916 142 HG21 VAL 21 1HG2 VAL 21 2.772 -3.962 2.897 143 HG22 VAL 21 2HG2 VAL 21 4.300 -4.197 3.746 144 HG23 VAL 21 3HG2 VAL 21 3.012 -3.254 4.495 145 H GLU 22 H GLU 22 6.898 -1.367 1.228 146 HA GLU 22 HA GLU 22 7.520 1.292 2.127 147 HB2 GLU 22 1HB GLU 22 8.055 -0.185 -0.448 148 HB3 GLU 22 2HB GLU 22 8.546 1.482 -0.187 149 HG2 GLU 22 1HG GLU 22 10.184 0.921 1.290 150 HG3 GLU 22 2HG GLU 22 9.356 -0.540 1.826 151 H VAL 23 H VAL 23 6.187 2.957 1.970 152 HA VAL 23 HA VAL 23 4.696 3.428 -0.466 153 HB VAL 23 HB VAL 23 3.251 3.096 2.167 154 HG11 VAL 23 1HG1 VAL 23 2.459 5.008 0.777 155 HG12 VAL 23 2HG1 VAL 23 2.101 3.858 -0.512 156 HG13 VAL 23 3HG1 VAL 23 1.249 3.751 1.030 157 HG21 VAL 23 1HG2 VAL 23 3.685 0.959 1.181 158 HG22 VAL 23 2HG2 VAL 23 1.988 1.353 0.904 159 HG23 VAL 23 3HG2 VAL 23 3.158 1.526 -0.404 160 HA PRO 24 HA PRO 24 5.836 7.539 0.696 161 HB2 PRO 24 1HB PRO 24 4.367 8.856 -1.169 162 HB3 PRO 24 2HB PRO 24 5.860 7.994 -1.556 163 HG2 PRO 24 1HG PRO 24 3.020 7.111 -1.898 164 HG3 PRO 24 2HG PRO 24 4.389 6.930 -3.010 165 HD2 PRO 24 1HD PRO 24 3.520 4.910 -1.431 166 HD3 PRO 24 2HD PRO 24 5.226 5.101 -1.884 167 H PHE 25 H PHE 25 5.087 8.796 2.278 168 HA PHE 25 HA PHE 25 2.582 8.493 3.459 169 HB2 PHE 25 1HB PHE 25 4.575 9.462 4.583 170 HB3 PHE 25 2HB PHE 25 4.380 10.920 3.615 171 HD1 PHE 25 2HD PHE 25 3.013 8.929 6.364 172 HD2 PHE 25 1HD PHE 25 2.633 12.504 4.085 173 HE1 PHE 25 2HE PHE 25 1.481 9.843 8.060 174 HE2 PHE 25 1HE PHE 25 1.103 13.425 5.777 175 HZ PHE 25 HZ PHE 25 0.524 12.093 7.767 176 H ASP 26 H ASP 26 3.495 10.256 0.681 177 HA ASP 26 HA ASP 26 1.477 12.258 0.739 178 HB2 ASP 26 1HB ASP 26 3.329 11.165 -1.339 179 HB3 ASP 26 2HB ASP 26 1.975 12.169 -1.851 180 H LEU 27 H LEU 27 1.409 8.916 0.126 181 HA LEU 27 HA LEU 27 -1.085 9.097 -1.403 182 HB2 LEU 27 1HB LEU 27 0.759 6.793 -0.812 183 HB3 LEU 27 2HB LEU 27 -0.790 6.615 -1.634 184 HG LEU 27 HG LEU 27 1.544 8.236 -2.650 185 HD11 LEU 27 1HD1 LEU 27 0.579 5.789 -4.014 186 HD12 LEU 27 2HD1 LEU 27 1.549 5.583 -2.556 187 HD13 LEU 27 3HD1 LEU 27 2.200 6.479 -3.928 188 HD21 LEU 27 1HD2 LEU 27 -1.241 7.779 -3.601 189 HD22 LEU 27 2HD2 LEU 27 0.051 7.930 -4.791 190 HD23 LEU 27 3HD2 LEU 27 -0.255 9.241 -3.651 191 H HIS 28 H HIS 28 0.217 8.096 1.675 192 HA HIS 28 HA HIS 28 -1.605 6.452 2.777 193 HB2 HIS 28 1HB HIS 28 -0.392 8.918 4.033 194 HB3 HIS 28 2HB HIS 28 -1.273 7.694 4.944 195 HD2 HIS 28 2HD HIS 28 0.665 5.670 2.554 196 HE1 HIS 28 1HE HIS 28 3.351 6.342 5.768 197 HE2 HIS 28 2HE HIS 28 2.925 5.049 3.649 198 H ARG 29 H ARG 29 -1.992 9.991 3.047 199 HA ARG 29 HA ARG 29 -4.473 10.184 4.077 200 HB2 ARG 29 1HB ARG 29 -4.761 12.287 2.856 201 HB3 ARG 29 2HB ARG 29 -3.123 12.132 3.475 202 HG2 ARG 29 1HG ARG 29 -2.297 11.546 1.294 203 HG3 ARG 29 2HG ARG 29 -3.938 11.518 0.643 204 HD2 ARG 29 1HD ARG 29 -4.159 13.832 0.770 205 HD3 ARG 29 2HD ARG 29 -2.849 13.987 1.940 206 HE ARG 29 HE ARG 29 -1.872 12.970 -0.514 207 HH11 ARG 29 1HH1 ARG 29 -3.008 15.900 0.983 208 HH12 ARG 29 2HH1 ARG 29 -2.082 16.940 -0.048 209 HH21 ARG 29 1HH2 ARG 29 -0.649 14.329 -1.878 210 HH22 ARG 29 2HH2 ARG 29 -0.741 16.045 -1.675 211 H TYR 30 H TYR 30 -3.692 9.278 0.774 212 HA TYR 30 HA TYR 30 -6.448 9.263 -0.074 213 HB2 TYR 30 1HB TYR 30 -3.968 8.192 -1.436 214 HB3 TYR 30 2HB TYR 30 -5.556 8.343 -2.180 215 HD1 TYR 30 2HD TYR 30 -6.423 10.990 -1.264 216 HD2 TYR 30 1HD TYR 30 -2.595 9.680 -2.579 217 HE1 TYR 30 2HE TYR 30 -5.883 13.287 -1.958 218 HE2 TYR 30 1HE TYR 30 -2.043 11.973 -3.275 219 HH TYR 30 HH TYR 30 -4.399 14.460 -3.441 220 H VAL 31 H VAL 31 -4.067 6.934 1.028 221 HA VAL 31 HA VAL 31 -5.538 4.602 0.341 222 HB VAL 31 HB VAL 31 -3.421 4.934 2.472 223 HG11 VAL 31 1HG1 VAL 31 -3.917 2.373 1.050 224 HG12 VAL 31 2HG1 VAL 31 -3.326 2.663 2.687 225 HG13 VAL 31 3HG1 VAL 31 -5.042 2.848 2.323 226 HG21 VAL 31 1HG2 VAL 31 -1.843 4.171 0.801 227 HG22 VAL 31 2HG2 VAL 31 -3.132 4.036 -0.394 228 HG23 VAL 31 3HG2 VAL 31 -2.668 5.620 0.225 229 H ILE 32 H ILE 32 -5.097 6.336 3.421 230 HA ILE 32 HA ILE 32 -6.775 4.700 4.962 231 HB ILE 32 HB ILE 32 -6.277 7.647 5.386 232 HG12 ILE 32 1HG1 ILE 32 -4.697 5.487 6.728 233 HG13 ILE 32 2HG1 ILE 32 -4.261 5.977 5.094 234 HG21 ILE 32 1HG2 ILE 32 -7.135 5.424 7.225 235 HG22 ILE 32 2HG2 ILE 32 -6.582 7.001 7.787 236 HG23 ILE 32 3HG2 ILE 32 -8.035 6.878 6.795 237 HD11 ILE 32 1HD1 ILE 32 -3.193 7.749 5.867 238 HD12 ILE 32 2HD1 ILE 32 -4.624 8.289 6.745 239 HD13 ILE 32 3HD1 ILE 32 -3.496 7.165 7.503 240 H GLY 33 H GLY 33 -7.483 7.903 3.542 241 HA2 GLY 33 1HA GLY 33 -9.526 8.279 2.314 242 HA3 GLY 33 2HA GLY 33 -10.298 7.061 3.318 243 H GLN 34 H GLN 34 -11.686 9.273 3.109 244 HA GLN 34 HA GLN 34 -11.239 11.517 4.554 245 HB2 GLN 34 1HB GLN 34 -13.565 11.808 4.733 246 HB3 GLN 34 2HB GLN 34 -13.350 10.820 3.295 247 HG2 GLN 34 1HG GLN 34 -13.904 8.820 4.588 248 HG3 GLN 34 2HG GLN 34 -14.132 9.818 6.023 249 HE21 GLN 34 1HE2 GLN 34 -15.957 11.076 6.212 250 HE22 GLN 34 2HE2 GLN 34 -17.318 10.915 5.162 251 H LYS 35 H LYS 35 -12.343 8.415 5.881 252 HA LYS 35 HA LYS 35 -11.518 9.367 8.544 253 HB2 LYS 35 1HB LYS 35 -14.072 8.992 8.006 254 HB3 LYS 35 2HB LYS 35 -13.660 7.301 8.253 255 HG2 LYS 35 1HG LYS 35 -14.274 7.841 10.368 256 HG3 LYS 35 2HG LYS 35 -12.565 8.267 10.459 257 HD2 LYS 35 1HD LYS 35 -13.238 10.612 9.812 258 HD3 LYS 35 2HD LYS 35 -14.913 10.110 10.055 259 HE2 LYS 35 1HE LYS 35 -14.016 9.299 12.375 260 HE3 LYS 35 2HE LYS 35 -12.717 10.446 12.052 261 HZ1 LYS 35 1HZ LYS 35 -15.609 11.119 12.038 262 HZ2 LYS 35 2HZ LYS 35 -14.327 12.202 11.836 263 HZ3 LYS 35 3HZ LYS 35 -14.552 11.426 13.323 264 H GLY 36 H GLY 36 -12.057 6.502 6.508 265 HA2 GLY 36 1HA GLY 36 -9.719 5.243 6.622 266 HA3 GLY 36 2HA GLY 36 -10.333 4.906 8.234 267 H SER 37 H SER 37 -12.172 5.101 5.221 268 HA SER 37 HA SER 37 -13.278 2.469 5.762 269 HB2 SER 37 1HB SER 37 -14.727 3.025 3.749 270 HB3 SER 37 2HB SER 37 -14.900 4.100 5.136 271 HG SER 37 HG SER 37 -13.854 4.596 2.620 272 H GLY 38 H GLY 38 -11.773 4.102 2.964 273 HA2 GLY 38 1HA GLY 38 -11.537 2.177 1.128 274 HA3 GLY 38 2HA GLY 38 -10.188 3.241 1.496 275 H ILE 39 H ILE 39 -9.431 2.362 3.985 276 HA ILE 39 HA ILE 39 -7.999 -0.018 3.309 277 HB ILE 39 HB ILE 39 -8.152 1.587 5.856 278 HG12 ILE 39 1HG1 ILE 39 -6.028 1.254 3.728 279 HG13 ILE 39 2HG1 ILE 39 -6.984 2.699 4.044 280 HG21 ILE 39 1HG2 ILE 39 -7.709 -0.636 6.563 281 HG22 ILE 39 2HG2 ILE 39 -6.564 -0.895 5.248 282 HG23 ILE 39 3HG2 ILE 39 -6.165 0.216 6.559 283 HD11 ILE 39 1HD1 ILE 39 -5.927 2.768 6.318 284 HD12 ILE 39 2HD1 ILE 39 -4.839 1.496 5.764 285 HD13 ILE 39 3HD1 ILE 39 -4.841 3.066 4.962 286 H ARG 40 H ARG 40 -10.760 0.747 5.344 287 HA ARG 40 HA ARG 40 -10.988 -1.539 6.863 288 HB2 ARG 40 1HB ARG 40 -12.470 0.582 6.797 289 HB3 ARG 40 2HB ARG 40 -13.400 -0.285 5.582 290 HG2 ARG 40 1HG ARG 40 -14.563 -0.866 7.444 291 HG3 ARG 40 2HG ARG 40 -13.381 -2.176 7.419 292 HD2 ARG 40 1HD ARG 40 -11.971 -0.897 8.983 293 HD3 ARG 40 2HD ARG 40 -13.204 0.362 9.037 294 HE ARG 40 HE ARG 40 -13.206 -2.080 10.484 295 HH11 ARG 40 1HH1 ARG 40 -15.300 0.191 8.881 296 HH12 ARG 40 2HH1 ARG 40 -16.680 -0.192 9.856 297 HH21 ARG 40 1HH2 ARG 40 -15.015 -2.593 11.777 298 HH22 ARG 40 2HH2 ARG 40 -16.516 -1.775 11.504 299 H LYS 41 H LYS 41 -11.768 -1.062 3.477 300 HA LYS 41 HA LYS 41 -13.246 -3.401 3.031 301 HB2 LYS 41 1HB LYS 41 -13.195 -1.642 1.378 302 HB3 LYS 41 2HB LYS 41 -11.457 -1.823 1.176 303 HG2 LYS 41 1HG LYS 41 -11.996 -4.222 0.438 304 HG3 LYS 41 2HG LYS 41 -13.653 -3.640 0.263 305 HD2 LYS 41 1HD LYS 41 -12.860 -3.250 -1.851 306 HD3 LYS 41 2HD LYS 41 -12.475 -1.706 -1.085 307 HE2 LYS 41 1HE LYS 41 -10.193 -2.468 -0.680 308 HE3 LYS 41 2HE LYS 41 -10.575 -4.029 -1.407 309 HZ1 LYS 41 1HZ LYS 41 -9.933 -1.529 -2.670 310 HZ2 LYS 41 2HZ LYS 41 -11.311 -2.263 -3.322 311 HZ3 LYS 41 3HZ LYS 41 -9.842 -3.104 -3.282 312 H MET 42 H MET 42 -9.782 -2.814 3.134 313 HA MET 42 HA MET 42 -9.063 -5.407 2.152 314 HB2 MET 42 1HB MET 42 -7.321 -3.538 3.756 315 HB3 MET 42 2HB MET 42 -6.806 -4.788 2.631 316 HG2 MET 42 1HG MET 42 -7.471 -3.542 0.765 317 HG3 MET 42 2HG MET 42 -8.440 -2.442 1.741 318 HE1 MET 42 1HE MET 42 -4.515 -2.398 0.150 319 HE2 MET 42 2HE MET 42 -3.999 -2.963 1.738 320 HE3 MET 42 3HE MET 42 -5.222 -3.861 0.836 321 H MET 43 H MET 43 -8.618 -3.902 5.361 322 HA MET 43 HA MET 43 -7.823 -6.073 6.800 323 HB2 MET 43 1HB MET 43 -9.668 -3.832 7.620 324 HB3 MET 43 2HB MET 43 -9.031 -5.010 8.759 325 HG2 MET 43 1HG MET 43 -6.725 -4.296 7.827 326 HG3 MET 43 2HG MET 43 -7.594 -2.878 7.244 327 HE1 MET 43 1HE MET 43 -9.548 -1.831 9.956 328 HE2 MET 43 2HE MET 43 -8.214 -0.678 9.933 329 HE3 MET 43 3HE MET 43 -8.811 -1.366 8.422 330 H ASP 44 H ASP 44 -11.007 -5.423 5.553 331 HA ASP 44 HA ASP 44 -12.217 -7.576 7.084 332 HB2 ASP 44 1HB ASP 44 -13.213 -5.430 5.270 333 HB3 ASP 44 2HB ASP 44 -14.188 -6.889 5.430 334 H GLU 45 H GLU 45 -11.101 -6.915 3.827 335 HA GLU 45 HA GLU 45 -12.189 -9.355 2.745 336 HB2 GLU 45 1HB GLU 45 -11.965 -7.397 1.312 337 HB3 GLU 45 2HB GLU 45 -10.229 -7.364 1.592 338 HG2 GLU 45 1HG GLU 45 -10.343 -8.368 -0.463 339 HG3 GLU 45 2HG GLU 45 -10.296 -9.769 0.607 340 H PHE 46 H PHE 46 -8.847 -8.140 3.056 341 HA PHE 46 HA PHE 46 -7.723 -10.744 2.721 342 HB2 PHE 46 1HB PHE 46 -6.497 -8.138 3.642 343 HB3 PHE 46 2HB PHE 46 -5.578 -9.608 3.331 344 HD1 PHE 46 1HD PHE 46 -5.538 -10.551 1.015 345 HD2 PHE 46 2HD PHE 46 -7.136 -6.706 1.894 346 HE1 PHE 46 1HE PHE 46 -5.350 -9.934 -1.360 347 HE2 PHE 46 2HE PHE 46 -6.953 -6.083 -0.479 348 HZ PHE 46 HZ PHE 46 -6.059 -7.698 -2.110 349 H GLU 47 H GLU 47 -9.271 -9.326 5.285 350 HA GLU 47 HA GLU 47 -9.421 -9.757 7.517 351 HB2 GLU 47 1HB GLU 47 -8.172 -12.393 6.724 352 HB3 GLU 47 2HB GLU 47 -9.058 -12.072 8.208 353 HG2 GLU 47 1HG GLU 47 -11.093 -12.026 7.148 354 HG3 GLU 47 2HG GLU 47 -10.393 -11.603 5.587 355 H VAL 48 H VAL 48 -7.389 -8.132 7.134 356 HA VAL 48 HA VAL 48 -5.346 -9.121 8.996 357 HB VAL 48 HB VAL 48 -3.703 -7.649 7.619 358 HG11 VAL 48 1HG1 VAL 48 -3.263 -9.642 6.088 359 HG12 VAL 48 2HG1 VAL 48 -3.254 -9.944 7.826 360 HG13 VAL 48 3HG1 VAL 48 -4.660 -10.393 6.859 361 HG21 VAL 48 1HG2 VAL 48 -5.743 -8.329 5.502 362 HG22 VAL 48 2HG2 VAL 48 -5.400 -6.713 6.118 363 HG23 VAL 48 3HG2 VAL 48 -4.163 -7.596 5.225 364 H ASN 49 H ASN 49 -3.832 -7.054 9.477 365 HA ASN 49 HA ASN 49 -5.633 -4.795 10.048 366 HB2 ASN 49 1HB ASN 49 -5.345 -5.943 12.127 367 HB3 ASN 49 2HB ASN 49 -3.608 -6.095 11.875 368 HD21 ASN 49 1HD2 ASN 49 -2.823 -4.995 13.560 369 HD22 ASN 49 2HD2 ASN 49 -3.150 -3.330 13.891 370 H ILE 50 H ILE 50 -4.960 -3.015 9.069 371 HA ILE 50 HA ILE 50 -2.095 -2.718 8.476 372 HB ILE 50 HB ILE 50 -4.486 -1.396 7.190 373 HG12 ILE 50 1HG1 ILE 50 -2.462 -3.262 5.951 374 HG13 ILE 50 2HG1 ILE 50 -3.972 -3.829 6.655 375 HG21 ILE 50 1HG2 ILE 50 -2.621 -0.657 5.544 376 HG22 ILE 50 2HG2 ILE 50 -2.869 0.247 7.036 377 HG23 ILE 50 3HG2 ILE 50 -1.549 -0.917 6.920 378 HD11 ILE 50 1HD1 ILE 50 -4.146 -3.605 4.246 379 HD12 ILE 50 2HD1 ILE 50 -5.223 -2.473 5.063 380 HD13 ILE 50 3HD1 ILE 50 -3.710 -1.900 4.361 381 H HIS 51 H HIS 51 -0.947 -1.124 9.377 382 HA HIS 51 HA HIS 51 -2.406 1.009 10.793 383 HB2 HIS 51 1HB HIS 51 -0.199 -0.762 11.712 384 HB3 HIS 51 2HB HIS 51 -0.156 0.919 12.235 385 HD1 HIS 51 1HD HIS 51 -0.542 -0.039 14.677 386 HD2 HIS 51 2HD HIS 51 -3.698 -0.570 12.026 387 HE1 HIS 51 1HE HIS 51 -2.530 -0.617 16.104 388 H VAL 52 H VAL 52 -1.916 3.005 10.167 389 HA VAL 52 HA VAL 52 0.461 3.398 8.489 390 HB VAL 52 HB VAL 52 -2.002 5.119 8.803 391 HG11 VAL 52 1HG1 VAL 52 0.133 5.494 6.730 392 HG12 VAL 52 2HG1 VAL 52 -1.119 6.623 7.255 393 HG13 VAL 52 3HG1 VAL 52 0.248 6.264 8.312 394 HG21 VAL 52 1HG2 VAL 52 -1.902 2.816 7.469 395 HG22 VAL 52 2HG2 VAL 52 -2.831 4.201 6.894 396 HG23 VAL 52 3HG2 VAL 52 -1.232 3.873 6.226 397 HA PRO 53 HA PRO 53 2.457 5.660 11.708 398 HB2 PRO 53 1HB PRO 53 4.275 6.982 10.184 399 HB3 PRO 53 2HB PRO 53 4.408 5.259 10.561 400 HG2 PRO 53 1HG PRO 53 3.375 6.581 8.082 401 HG3 PRO 53 2HG PRO 53 4.437 5.169 8.238 402 HD2 PRO 53 1HD PRO 53 1.786 4.951 7.727 403 HD3 PRO 53 2HD PRO 53 2.681 3.741 8.669 404 H ALA 54 H ALA 54 2.149 7.574 12.699 405 HA ALA 54 HA ALA 54 0.304 9.442 11.761 406 HB1 ALA 54 1HB ALA 54 1.760 10.863 13.594 407 HB2 ALA 54 2HB ALA 54 0.423 9.776 13.969 408 HB3 ALA 54 3HB ALA 54 2.084 9.194 14.060 409 HA PRO 55 HA PRO 55 2.463 12.276 9.201 410 HB2 PRO 55 1HB PRO 55 1.555 14.689 10.050 411 HB3 PRO 55 2HB PRO 55 0.553 13.552 9.139 412 HG2 PRO 55 1HG PRO 55 0.640 14.059 12.088 413 HG3 PRO 55 2HG PRO 55 -0.767 13.827 11.033 414 HD2 PRO 55 1HD PRO 55 0.217 11.853 12.604 415 HD3 PRO 55 2HD PRO 55 -0.547 11.533 11.033 416 H GLU 56 H GLU 56 2.642 12.912 12.663 417 HA GLU 56 HA GLU 56 4.799 14.757 12.528 418 HB2 GLU 56 1HB GLU 56 5.023 14.302 14.966 419 HB3 GLU 56 2HB GLU 56 3.389 14.734 14.478 420 HG2 GLU 56 1HG GLU 56 2.561 12.646 14.888 421 HG3 GLU 56 2HG GLU 56 4.111 11.856 14.609 422 H LEU 57 H LEU 57 4.650 11.450 11.991 423 HA LEU 57 HA LEU 57 7.381 10.931 12.880 424 HB2 LEU 57 1HB LEU 57 5.317 9.118 11.640 425 HB3 LEU 57 2HB LEU 57 6.916 8.609 12.178 426 HG LEU 57 HG LEU 57 4.847 9.785 14.025 427 HD11 LEU 57 1HD1 LEU 57 3.714 7.883 13.748 428 HD12 LEU 57 2HD1 LEU 57 5.035 7.116 14.627 429 HD13 LEU 57 3HD1 LEU 57 5.035 7.119 12.864 430 HD21 LEU 57 1HD2 LEU 57 7.403 8.252 14.480 431 HD22 LEU 57 2HD2 LEU 57 6.249 8.685 15.742 432 HD23 LEU 57 3HD2 LEU 57 7.103 9.948 14.857 433 H GLN 58 H GLN 58 5.519 11.419 9.971 434 HA GLN 58 HA GLN 58 6.098 11.637 7.782 435 HB2 GLN 58 1HB GLN 58 8.775 12.259 9.034 436 HB3 GLN 58 2HB GLN 58 8.409 12.486 7.329 437 HG2 GLN 58 1HG GLN 58 6.594 14.044 7.979 438 HG3 GLN 58 2HG GLN 58 7.116 13.886 9.655 439 HE21 GLN 58 1HE2 GLN 58 7.425 15.654 6.864 440 HE22 GLN 58 2HE2 GLN 58 8.879 16.508 7.239 441 H SER 59 H SER 59 6.147 9.011 8.894 442 HA SER 59 HA SER 59 8.431 7.710 7.617 443 HB2 SER 59 1HB SER 59 7.432 7.127 9.967 444 HB3 SER 59 2HB SER 59 6.240 6.224 9.032 445 HG SER 59 HG SER 59 8.049 5.144 8.032 446 H ASP 60 H ASP 60 8.275 6.351 5.884 447 HA ASP 60 HA ASP 60 5.689 6.359 4.477 448 HB2 ASP 60 1HB ASP 60 7.371 5.659 2.525 449 HB3 ASP 60 2HB ASP 60 7.072 7.344 2.944 450 H ILE 61 H ILE 61 6.985 4.443 6.541 451 HA ILE 61 HA ILE 61 6.717 1.973 4.961 452 HB ILE 61 HB ILE 61 7.871 2.056 7.729 453 HG12 ILE 61 1HG1 ILE 61 9.051 3.733 6.270 454 HG13 ILE 61 2HG1 ILE 61 10.076 2.430 6.861 455 HG21 ILE 61 1HG2 ILE 61 7.874 0.179 5.413 456 HG22 ILE 61 2HG2 ILE 61 9.219 0.146 6.552 457 HG23 ILE 61 3HG2 ILE 61 7.574 -0.140 7.122 458 HD11 ILE 61 1HD1 ILE 61 9.203 1.435 4.476 459 HD12 ILE 61 2HD1 ILE 61 9.349 3.159 4.137 460 HD13 ILE 61 3HD1 ILE 61 10.739 2.259 4.744 461 H ILE 62 H ILE 62 4.661 1.308 5.061 462 HA ILE 62 HA ILE 62 3.056 1.699 7.433 463 HB ILE 62 HB ILE 62 2.502 0.476 4.744 464 HG12 ILE 62 1HG1 ILE 62 1.189 2.780 6.193 465 HG13 ILE 62 2HG1 ILE 62 2.519 2.968 5.056 466 HG21 ILE 62 1HG2 ILE 62 1.089 0.035 7.272 467 HG22 ILE 62 2HG2 ILE 62 0.060 0.569 5.943 468 HG23 ILE 62 3HG2 ILE 62 1.043 -0.886 5.768 469 HD11 ILE 62 1HD1 ILE 62 1.202 2.637 3.261 470 HD12 ILE 62 2HD1 ILE 62 0.178 1.463 4.088 471 HD13 ILE 62 3HD1 ILE 62 -0.053 3.189 4.371 472 H ALA 63 H ALA 63 2.437 0.181 8.892 473 HA ALA 63 HA ALA 63 3.811 -2.408 8.742 474 HB1 ALA 63 1HB ALA 63 2.459 -1.785 11.249 475 HB2 ALA 63 2HB ALA 63 4.125 -2.281 10.950 476 HB3 ALA 63 3HB ALA 63 3.667 -0.586 10.787 477 H ILE 64 H ILE 64 2.715 -4.237 8.431 478 HA ILE 64 HA ILE 64 -0.212 -4.184 8.769 479 HB ILE 64 HB ILE 64 1.245 -5.883 6.752 480 HG12 ILE 64 1HG1 ILE 64 -0.170 -3.250 6.284 481 HG13 ILE 64 2HG1 ILE 64 1.575 -3.477 6.258 482 HG21 ILE 64 1HG2 ILE 64 -1.516 -5.594 7.635 483 HG22 ILE 64 2HG2 ILE 64 -1.326 -5.463 5.887 484 HG23 ILE 64 3HG2 ILE 64 -0.745 -6.898 6.732 485 HD11 ILE 64 1HD1 ILE 64 1.143 -5.184 4.413 486 HD12 ILE 64 2HD1 ILE 64 -0.473 -4.481 4.322 487 HD13 ILE 64 3HD1 ILE 64 0.945 -3.476 4.019 488 H THR 65 H THR 65 -0.915 -5.515 10.288 489 HA THR 65 HA THR 65 0.799 -7.730 11.152 490 HB THR 65 HB THR 65 -1.661 -6.627 12.522 491 HG1 THR 65 1HG THR 65 -0.020 -5.061 12.500 492 HG21 THR 65 1HG2 THR 65 0.442 -8.044 14.029 493 HG22 THR 65 2HG2 THR 65 -0.505 -9.039 12.923 494 HG23 THR 65 3HG2 THR 65 -1.313 -8.115 14.189 495 H GLY 66 H GLY 66 0.152 -9.843 11.122 496 HA2 GLY 66 1HA GLY 66 -2.254 -11.025 11.031 497 HA3 GLY 66 2HA GLY 66 -2.081 -10.466 9.374 498 H LEU 67 H LEU 67 -2.381 -13.060 9.571 499 HA LEU 67 HA LEU 67 -0.063 -14.591 10.066 500 HB2 LEU 67 1HB LEU 67 -2.514 -15.124 8.403 501 HB3 LEU 67 2HB LEU 67 -1.241 -16.318 8.656 502 HG LEU 67 HG LEU 67 -2.893 -15.086 10.859 503 HD11 LEU 67 1HD1 LEU 67 -4.374 -16.791 10.733 504 HD12 LEU 67 2HD1 LEU 67 -3.180 -17.931 10.110 505 HD13 LEU 67 3HD1 LEU 67 -3.913 -16.744 9.031 506 HD21 LEU 67 1HD2 LEU 67 -1.968 -17.032 12.139 507 HD22 LEU 67 2HD2 LEU 67 -0.785 -15.799 11.703 508 HD23 LEU 67 3HD2 LEU 67 -0.861 -17.308 10.794 509 H ALA 68 H ALA 68 1.630 -15.153 8.812 510 HA ALA 68 HA ALA 68 2.632 -13.646 6.815 511 HB1 ALA 68 1HB ALA 68 3.955 -15.373 7.804 512 HB2 ALA 68 2HB ALA 68 2.910 -16.628 7.139 513 HB3 ALA 68 3HB ALA 68 3.909 -15.651 6.063 514 H ALA 69 H ALA 69 0.207 -16.160 6.465 515 HA ALA 69 HA ALA 69 0.255 -16.295 3.633 516 HB1 ALA 69 1HB ALA 69 -2.327 -16.975 4.475 517 HB2 ALA 69 2HB ALA 69 -0.984 -18.067 4.137 518 HB3 ALA 69 3HB ALA 69 -1.247 -17.477 5.778 519 H ASN 70 H ASN 70 -1.745 -14.474 5.931 520 HA ASN 70 HA ASN 70 -3.334 -13.234 3.912 521 HB2 ASN 70 1HB ASN 70 -2.931 -12.142 6.690 522 HB3 ASN 70 2HB ASN 70 -4.357 -12.025 5.662 523 HD21 ASN 70 1HD2 ASN 70 -5.116 -12.777 7.921 524 HD22 ASN 70 2HD2 ASN 70 -5.317 -14.484 8.094 525 H LEU 71 H LEU 71 -0.431 -12.337 5.689 526 HA LEU 71 HA LEU 71 -0.280 -9.645 4.964 527 HB2 LEU 71 1HB LEU 71 2.060 -11.506 5.318 528 HB3 LEU 71 2HB LEU 71 2.044 -9.756 5.532 529 HG LEU 71 HG LEU 71 0.406 -11.583 7.269 530 HD11 LEU 71 1HD1 LEU 71 2.163 -12.205 8.488 531 HD12 LEU 71 2HD1 LEU 71 2.857 -10.584 8.463 532 HD13 LEU 71 3HD1 LEU 71 3.160 -11.694 7.125 533 HD21 LEU 71 1HD2 LEU 71 1.257 -9.378 8.693 534 HD22 LEU 71 2HD2 LEU 71 -0.334 -9.598 7.965 535 HD23 LEU 71 3HD2 LEU 71 0.926 -8.730 7.087 536 H ASP 72 H ASP 72 0.620 -12.552 3.225 537 HA ASP 72 HA ASP 72 2.115 -11.309 1.172 538 HB2 ASP 72 1HB ASP 72 0.832 -13.964 1.572 539 HB3 ASP 72 2HB ASP 72 1.236 -13.504 -0.080 540 H ARG 73 H ARG 73 -1.225 -12.572 1.117 541 HA ARG 73 HA ARG 73 -1.919 -11.577 -1.391 542 HB2 ARG 73 1HB ARG 73 -4.297 -11.697 -0.494 543 HB3 ARG 73 2HB ARG 73 -3.357 -13.182 -0.423 544 HG2 ARG 73 1HG ARG 73 -2.938 -12.855 1.930 545 HG3 ARG 73 2HG ARG 73 -3.760 -11.294 1.886 546 HD2 ARG 73 1HD ARG 73 -5.327 -12.819 2.769 547 HD3 ARG 73 2HD ARG 73 -5.810 -12.551 1.094 548 HE ARG 73 HE ARG 73 -4.804 -15.004 2.251 549 HH11 ARG 73 1HH1 ARG 73 -5.451 -13.207 -0.659 550 HH12 ARG 73 2HH1 ARG 73 -5.513 -14.612 -1.669 551 HH21 ARG 73 1HH2 ARG 73 -4.882 -16.863 0.932 552 HH22 ARG 73 2HH2 ARG 73 -5.190 -16.692 -0.764 553 H ALA 74 H ALA 74 -2.241 -10.092 1.811 554 HA ALA 74 HA ALA 74 -3.569 -7.754 0.948 555 HB1 ALA 74 1HB ALA 74 -3.434 -8.603 3.305 556 HB2 ALA 74 2HB ALA 74 -1.783 -7.983 3.361 557 HB3 ALA 74 3HB ALA 74 -3.133 -6.876 3.113 558 H LYS 75 H LYS 75 -0.153 -8.215 1.880 559 HA LYS 75 HA LYS 75 0.813 -5.725 1.220 560 HB2 LYS 75 1HB LYS 75 2.124 -7.493 2.347 561 HB3 LYS 75 2HB LYS 75 2.240 -8.362 0.822 562 HG2 LYS 75 1HG LYS 75 3.435 -6.420 -0.142 563 HG3 LYS 75 2HG LYS 75 3.405 -5.658 1.451 564 HD2 LYS 75 1HD LYS 75 4.656 -7.563 2.370 565 HD3 LYS 75 2HD LYS 75 4.705 -8.295 0.763 566 HE2 LYS 75 1HE LYS 75 6.239 -6.792 -0.023 567 HE3 LYS 75 2HE LYS 75 5.705 -5.513 1.066 568 HZ1 LYS 75 1HZ LYS 75 6.713 -6.868 2.900 569 HZ2 LYS 75 2HZ LYS 75 7.817 -6.195 1.810 570 HZ3 LYS 75 3HZ LYS 75 7.423 -7.838 1.708 571 H ALA 76 H ALA 76 0.141 -8.448 -0.901 572 HA ALA 76 HA ALA 76 1.377 -7.407 -3.222 573 HB1 ALA 76 1HB ALA 76 0.949 -9.689 -3.305 574 HB2 ALA 76 2HB ALA 76 -0.712 -9.499 -2.743 575 HB3 ALA 76 3HB ALA 76 -0.273 -9.013 -4.381 576 H GLY 77 H GLY 77 -1.810 -6.989 -1.804 577 HA2 GLY 77 1HA GLY 77 -3.010 -5.754 -4.071 578 HA3 GLY 77 2HA GLY 77 -3.605 -5.686 -2.418 579 H LEU 78 H LEU 78 -1.474 -4.450 -1.148 580 HA LEU 78 HA LEU 78 -1.987 -1.740 -1.708 581 HB2 LEU 78 1HB LEU 78 -1.083 -2.976 0.435 582 HB3 LEU 78 2HB LEU 78 0.483 -2.556 -0.257 583 HG LEU 78 HG LEU 78 -0.202 -0.170 -0.231 584 HD11 LEU 78 1HD1 LEU 78 -2.744 -1.332 0.398 585 HD12 LEU 78 2HD1 LEU 78 -2.345 0.341 0.013 586 HD13 LEU 78 3HD1 LEU 78 -2.254 -0.225 1.681 587 HD21 LEU 78 1HD2 LEU 78 0.343 0.158 2.008 588 HD22 LEU 78 2HD2 LEU 78 1.029 -1.426 1.648 589 HD23 LEU 78 3HD2 LEU 78 -0.496 -1.304 2.528 590 H LEU 79 H LEU 79 1.057 -3.565 -2.087 591 HA LEU 79 HA LEU 79 2.655 -1.738 -3.269 592 HB2 LEU 79 1HB LEU 79 2.305 -4.639 -3.987 593 HB3 LEU 79 2HB LEU 79 3.606 -3.637 -4.630 594 HG LEU 79 HG LEU 79 3.214 -4.043 -1.677 595 HD11 LEU 79 1HD1 LEU 79 3.458 -6.238 -2.778 596 HD12 LEU 79 2HD1 LEU 79 4.834 -5.829 -1.754 597 HD13 LEU 79 3HD1 LEU 79 4.964 -5.680 -3.506 598 HD21 LEU 79 1HD2 LEU 79 5.086 -2.625 -3.387 599 HD22 LEU 79 2HD2 LEU 79 5.892 -3.736 -2.279 600 HD23 LEU 79 3HD2 LEU 79 4.812 -2.490 -1.650 601 H GLU 80 H GLU 80 0.265 -3.730 -4.996 602 HA GLU 80 HA GLU 80 0.734 -2.546 -7.528 603 HB2 GLU 80 1HB GLU 80 -1.498 -4.207 -6.388 604 HB3 GLU 80 2HB GLU 80 -1.610 -3.533 -8.008 605 HG2 GLU 80 1HG GLU 80 0.734 -4.659 -8.307 606 HG3 GLU 80 2HG GLU 80 0.192 -5.652 -6.954 607 H ARG 81 H ARG 81 -1.491 -1.840 -4.895 608 HA ARG 81 HA ARG 81 -3.112 0.015 -6.269 609 HB2 ARG 81 1HB ARG 81 -3.359 -1.147 -3.906 610 HB3 ARG 81 2HB ARG 81 -2.580 0.327 -3.348 611 HG2 ARG 81 1HG ARG 81 -4.763 0.939 -3.162 612 HG3 ARG 81 2HG ARG 81 -4.444 1.468 -4.816 613 HD2 ARG 81 1HD ARG 81 -5.389 -0.617 -5.667 614 HD3 ARG 81 2HD ARG 81 -5.688 -1.162 -4.017 615 HE ARG 81 HE ARG 81 -7.522 0.225 -3.915 616 HH11 ARG 81 1HH1 ARG 81 -5.645 0.955 -6.755 617 HH12 ARG 81 2HH1 ARG 81 -6.852 1.986 -7.448 618 HH21 ARG 81 1HH2 ARG 81 -9.119 1.582 -4.816 619 HH22 ARG 81 2HH2 ARG 81 -8.827 2.342 -6.343 620 H VAL 82 H VAL 82 -0.065 0.326 -4.549 621 HA VAL 82 HA VAL 82 -0.019 3.174 -4.524 622 HB VAL 82 HB VAL 82 2.291 1.237 -4.314 623 HG11 VAL 82 1HG1 VAL 82 2.453 3.849 -2.992 624 HG12 VAL 82 2HG1 VAL 82 3.668 2.965 -3.916 625 HG13 VAL 82 3HG1 VAL 82 2.444 3.918 -4.754 626 HG21 VAL 82 1HG2 VAL 82 1.741 0.852 -2.186 627 HG22 VAL 82 2HG2 VAL 82 1.408 2.556 -1.878 628 HG23 VAL 82 3HG2 VAL 82 0.162 1.529 -2.584 629 H LYS 83 H LYS 83 1.431 0.714 -6.628 630 HA LYS 83 HA LYS 83 2.822 2.515 -8.300 631 HB2 LYS 83 1HB LYS 83 1.772 -0.236 -8.986 632 HB3 LYS 83 2HB LYS 83 3.037 0.638 -9.841 633 HG2 LYS 83 1HG LYS 83 4.566 0.368 -8.097 634 HG3 LYS 83 2HG LYS 83 3.304 -0.055 -6.938 635 HD2 LYS 83 1HD LYS 83 4.445 -2.068 -7.499 636 HD3 LYS 83 2HD LYS 83 2.876 -2.117 -8.307 637 HE2 LYS 83 1HE LYS 83 3.797 -1.788 -10.398 638 HE3 LYS 83 2HE LYS 83 5.244 -1.016 -9.753 639 HZ1 LYS 83 1HZ LYS 83 5.547 -3.319 -10.658 640 HZ2 LYS 83 2HZ LYS 83 4.644 -3.888 -9.346 641 HZ3 LYS 83 3HZ LYS 83 6.110 -3.086 -9.079 642 H GLU 84 H GLU 84 -0.446 1.225 -8.367 643 HA GLU 84 HA GLU 84 -1.050 2.321 -10.956 644 HB2 GLU 84 1HB GLU 84 -2.547 0.831 -8.857 645 HB3 GLU 84 2HB GLU 84 -3.479 1.784 -10.002 646 HG2 GLU 84 1HG GLU 84 -1.411 -0.152 -10.956 647 HG3 GLU 84 2HG GLU 84 -3.028 -0.696 -10.511 648 H LEU 85 H LEU 85 -1.425 3.300 -7.619 649 HA LEU 85 HA LEU 85 -3.231 5.443 -8.097 650 HB2 LEU 85 1HB LEU 85 -1.448 4.637 -5.841 651 HB3 LEU 85 2HB LEU 85 -2.202 6.230 -5.830 652 HG LEU 85 HG LEU 85 -3.829 3.724 -6.129 653 HD11 LEU 85 1HD1 LEU 85 -4.151 4.480 -3.524 654 HD12 LEU 85 2HD1 LEU 85 -2.417 4.697 -3.765 655 HD13 LEU 85 3HD1 LEU 85 -3.163 3.130 -4.081 656 HD21 LEU 85 1HD2 LEU 85 -4.860 6.057 -4.691 657 HD22 LEU 85 2HD2 LEU 85 -5.611 5.071 -5.946 658 HD23 LEU 85 3HD2 LEU 85 -4.485 6.356 -6.389 659 H GLN 86 H GLN 86 0.274 5.404 -7.430 660 HA GLN 86 HA GLN 86 0.720 8.133 -7.802 661 HB2 GLN 86 1HB GLN 86 3.060 7.579 -8.024 662 HB3 GLN 86 2HB GLN 86 2.342 6.557 -6.785 663 HG2 GLN 86 1HG GLN 86 2.173 4.731 -8.424 664 HG3 GLN 86 2HG GLN 86 2.964 5.757 -9.619 665 HE21 GLN 86 1HE2 GLN 86 3.450 4.651 -6.281 666 HE22 GLN 86 2HE2 GLN 86 5.144 4.352 -6.446 667 H ALA 87 H ALA 87 0.788 5.463 -10.122 668 HA ALA 87 HA ALA 87 1.791 6.761 -12.344 669 HB1 ALA 87 1HB ALA 87 1.440 4.410 -12.423 670 HB2 ALA 87 2HB ALA 87 -0.292 4.596 -12.150 671 HB3 ALA 87 3HB ALA 87 0.422 5.129 -13.671 672 H GLU 88 H GLU 88 -1.383 6.979 -10.900 673 HA GLU 88 HA GLU 88 -2.466 8.471 -13.143 674 HB2 GLU 88 1HB GLU 88 -3.686 7.836 -10.449 675 HB3 GLU 88 2HB GLU 88 -4.530 8.556 -11.813 676 HG2 GLU 88 1HG GLU 88 -3.176 5.937 -12.192 677 HG3 GLU 88 2HG GLU 88 -4.698 5.991 -11.307 678 H GLN 89 H GLN 89 -2.399 9.154 -9.643 679 HA GLN 89 HA GLN 89 -2.838 11.853 -9.737 680 HB2 GLN 89 1HB GLN 89 -1.697 12.003 -7.568 681 HB3 GLN 89 2HB GLN 89 -2.754 10.600 -7.647 682 HG2 GLN 89 1HG GLN 89 -1.023 9.116 -7.615 683 HG3 GLN 89 2HG GLN 89 0.103 10.243 -8.367 684 HE21 GLN 89 1HE2 GLN 89 1.599 9.589 -6.724 685 HE22 GLN 89 2HE2 GLN 89 1.514 10.289 -5.147 686 H GLU 90 H GLU 90 0.089 10.136 -10.511 687 HA GLU 90 HA GLU 90 1.687 12.556 -10.592 688 HB2 GLU 90 1HB GLU 90 2.506 10.214 -9.897 689 HB3 GLU 90 2HB GLU 90 2.537 9.859 -11.618 690 HG2 GLU 90 1HG GLU 90 4.709 10.501 -11.182 691 HG3 GLU 90 2HG GLU 90 3.983 11.979 -11.810 692 H ASP 91 H ASP 91 0.245 10.251 -12.844 693 HA ASP 91 HA ASP 91 1.329 10.977 -15.236 694 HB2 ASP 91 1HB ASP 91 -0.215 9.252 -15.392 695 HB3 ASP 91 2HB ASP 91 -1.432 10.120 -14.460 696 H ARG 92 H ARG 92 -1.555 12.505 -13.795 697 HA ARG 92 HA ARG 92 -1.905 14.504 -15.688 698 HB2 ARG 92 1HB ARG 92 -3.107 15.740 -13.908 699 HB3 ARG 92 2HB ARG 92 -3.587 14.052 -14.009 700 HG2 ARG 92 1HG ARG 92 -2.071 13.560 -12.108 701 HG3 ARG 92 2HG ARG 92 -1.752 15.290 -11.972 702 HD2 ARG 92 1HD ARG 92 -4.543 14.189 -11.900 703 HD3 ARG 92 2HD ARG 92 -3.546 14.274 -10.449 704 HE ARG 92 HE ARG 92 -3.605 16.778 -11.772 705 HH11 ARG 92 1HH1 ARG 92 -5.530 14.673 -9.778 706 HH12 ARG 92 2HH1 ARG 92 -6.458 15.962 -9.085 707 HH21 ARG 92 1HH2 ARG 92 -4.819 18.484 -10.869 708 HH22 ARG 92 2HH2 ARG 92 -6.053 18.130 -9.707 709 H ALA 93 H ALA 93 0.396 14.263 -13.092 710 HA ALA 93 HA ALA 93 1.169 17.045 -13.220 711 HB1 ALA 93 1HB ALA 93 1.256 15.540 -11.154 712 HB2 ALA 93 2HB ALA 93 2.730 14.874 -11.859 713 HB3 ALA 93 3HB ALA 93 2.639 16.589 -11.460 714 H LEU 94 H LEU 94 2.255 13.985 -14.526 715 HA LEU 94 HA LEU 94 4.831 14.666 -15.332 716 HB2 LEU 94 1HB LEU 94 3.672 12.403 -15.410 717 HB3 LEU 94 2HB LEU 94 2.971 12.934 -16.937 718 HG LEU 94 HG LEU 94 5.943 12.908 -16.531 719 HD11 LEU 94 1HD1 LEU 94 4.312 10.628 -16.360 720 HD12 LEU 94 2HD1 LEU 94 6.064 10.696 -16.547 721 HD13 LEU 94 3HD1 LEU 94 5.028 10.609 -17.972 722 HD21 LEU 94 1HD2 LEU 94 4.072 12.874 -18.883 723 HD22 LEU 94 2HD2 LEU 94 5.779 12.454 -19.029 724 HD23 LEU 94 3HD2 LEU 94 5.311 14.064 -18.478 725 H ARG 95 H ARG 95 1.863 14.748 -17.316 726 HA ARG 95 HA ARG 95 3.079 16.103 -19.481 727 HB2 ARG 95 1HB ARG 95 0.554 16.658 -19.971 728 HB3 ARG 95 2HB ARG 95 1.161 15.016 -20.140 729 HG2 ARG 95 1HG ARG 95 0.142 14.305 -18.167 730 HG3 ARG 95 2HG ARG 95 -0.079 15.956 -17.582 731 HD2 ARG 95 1HD ARG 95 -2.207 15.491 -18.278 732 HD3 ARG 95 2HD ARG 95 -1.540 16.173 -19.760 733 HE ARG 95 HE ARG 95 -1.118 13.402 -19.771 734 HH11 ARG 95 1HH1 ARG 95 -3.718 15.708 -19.976 735 HH12 ARG 95 2HH1 ARG 95 -4.732 14.677 -20.928 736 HH21 ARG 95 1HH2 ARG 95 -2.444 12.034 -21.026 737 HH22 ARG 95 2HH2 ARG 95 -4.007 12.586 -21.524 738 H SER 96 H SER 96 4.194 17.778 -18.212 739 HA SER 96 HA SER 96 2.513 19.934 -17.203 740 HB2 SER 96 1HB SER 96 5.419 19.252 -17.022 741 HB3 SER 96 2HB SER 96 4.929 20.932 -16.801 742 HG SER 96 HG SER 96 4.979 19.273 -14.928 743 H PHE 97 H PHE 97 1.676 20.301 -19.423 744 HA PHE 97 HA PHE 97 3.071 21.092 -21.629 745 HB2 PHE 97 1HB PHE 97 1.126 22.313 -22.330 746 HB3 PHE 97 2HB PHE 97 0.575 20.904 -21.431 747 HD1 PHE 97 1HD PHE 97 -0.153 21.199 -19.044 748 HD2 PHE 97 2HD PHE 97 0.546 24.481 -21.663 749 HE1 PHE 97 1HE PHE 97 -1.470 22.658 -17.563 750 HE2 PHE 97 2HE PHE 97 -0.770 25.945 -20.185 751 HZ PHE 97 HZ PHE 97 -1.780 25.034 -18.132 752 H LYS 98 H LYS 98 4.889 22.290 -21.421 753 HA LYS 98 HA LYS 98 4.607 25.107 -21.035 754 HB2 LYS 98 1HB LYS 98 5.989 23.453 -18.932 755 HB3 LYS 98 2HB LYS 98 6.398 25.144 -19.192 756 HG2 LYS 98 1HG LYS 98 3.872 25.569 -18.900 757 HG3 LYS 98 2HG LYS 98 3.848 23.956 -18.181 758 HD2 LYS 98 1HD LYS 98 4.140 25.415 -16.365 759 HD3 LYS 98 2HD LYS 98 5.755 24.781 -16.693 760 HE2 LYS 98 1HE LYS 98 6.054 26.868 -18.158 761 HE3 LYS 98 2HE LYS 98 4.629 27.491 -17.328 762 HZ1 LYS 98 1HZ LYS 98 5.975 26.826 -15.223 763 HZ2 LYS 98 2HZ LYS 98 6.310 28.283 -16.014 764 HZ3 LYS 98 3HZ LYS 98 7.308 26.939 -16.258 765 H SER 99 H SER 99 6.881 26.166 -21.078 766 HA SER 99 HA SER 99 8.157 25.372 -23.444 767 HB2 SER 99 1HB SER 99 9.769 27.108 -22.982 768 HB3 SER 99 2HB SER 99 8.184 27.684 -22.470 769 HG SER 99 HG SER 99 8.966 26.680 -20.335 770 H GLY 100 H GLY 100 10.438 24.757 -23.706 771 HA2 GLY 100 1HA GLY 100 12.441 23.796 -22.733 772 HA3 GLY 100 2HA GLY 100 11.427 23.086 -21.485 773 HA PRO 101 HA PRO 101 12.194 20.184 -25.196 774 HB2 PRO 101 1HB PRO 101 14.120 18.611 -24.108 775 HB3 PRO 101 2HB PRO 101 14.483 20.054 -25.063 776 HG2 PRO 101 1HG PRO 101 14.422 19.716 -22.090 777 HG3 PRO 101 2HG PRO 101 15.602 20.580 -23.094 778 HD2 PRO 101 1HD PRO 101 13.631 21.853 -21.741 779 HD3 PRO 101 2HD PRO 101 14.257 22.441 -23.295 780 H SER 102 H SER 102 10.663 18.672 -25.204 781 HA SER 102 HA SER 102 10.377 16.918 -22.869 782 HB2 SER 102 1HB SER 102 7.972 17.111 -22.886 783 HB3 SER 102 2HB SER 102 8.650 18.736 -22.784 784 HG SER 102 HG SER 102 8.217 19.024 -24.961 785 H SER 103 H SER 103 10.313 14.836 -23.403 786 HA SER 103 HA SER 103 10.515 14.012 -26.113 787 HB2 SER 103 1HB SER 103 10.227 12.514 -23.511 788 HB3 SER 103 2HB SER 103 10.285 11.679 -25.063 789 HG SER 103 HG SER 103 12.355 11.882 -24.078 790 H GLY 104 H GLY 104 9.103 12.334 -27.100 791 HA2 GLY 104 1HA GLY 104 6.276 12.689 -26.328 792 HA3 GLY 104 2HA GLY 104 6.784 12.864 -28.000 Start of MODEL 2 1 H1 GLY 1 H GLY 1 11.160 -12.216 -21.510 2 HA2 GLY 1 1HA GLY 1 8.678 -13.025 -21.570 3 HA3 GLY 1 2HA GLY 1 9.454 -14.595 -21.724 4 H SER 2 H SER 2 7.841 -12.972 -19.583 5 HA SER 2 HA SER 2 9.553 -12.830 -17.318 6 HB2 SER 2 1HB SER 2 6.562 -12.815 -17.669 7 HB3 SER 2 2HB SER 2 7.298 -12.809 -16.067 8 HG SER 2 HG SER 2 8.257 -10.960 -17.912 9 H SER 3 H SER 3 10.589 -14.932 -17.511 10 HA SER 3 HA SER 3 8.929 -17.123 -16.450 11 HB2 SER 3 1HB SER 3 10.052 -17.369 -18.760 12 HB3 SER 3 2HB SER 3 11.561 -17.524 -17.859 13 HG SER 3 HG SER 3 9.398 -19.096 -17.060 14 H GLY 4 H GLY 4 9.358 -17.797 -14.455 15 HA2 GLY 4 1HA GLY 4 11.161 -18.626 -12.953 16 HA3 GLY 4 2HA GLY 4 11.998 -17.123 -13.308 17 H SER 5 H SER 5 9.141 -18.498 -11.759 18 HA SER 5 HA SER 5 8.500 -16.017 -10.426 19 HB2 SER 5 1HB SER 5 7.341 -18.796 -10.351 20 HB3 SER 5 2HB SER 5 6.822 -17.554 -9.212 21 HG SER 5 HG SER 5 5.492 -17.582 -11.055 22 H SER 6 H SER 6 9.216 -15.371 -8.504 23 HA SER 6 HA SER 6 10.692 -17.313 -6.852 24 HB2 SER 6 1HB SER 6 11.077 -14.346 -7.249 25 HB3 SER 6 2HB SER 6 11.815 -15.221 -5.908 26 HG SER 6 HG SER 6 12.366 -15.341 -8.641 27 H GLY 7 H GLY 7 10.729 -16.720 -4.477 28 HA2 GLY 7 1HA GLY 7 9.655 -15.873 -2.556 29 HA3 GLY 7 2HA GLY 7 8.312 -15.353 -3.563 30 H LYS 8 H LYS 8 9.428 -17.687 -1.405 31 HA LYS 8 HA LYS 8 6.931 -19.120 -1.559 32 HB2 LYS 8 1HB LYS 8 8.072 -21.354 -1.752 33 HB3 LYS 8 2HB LYS 8 8.082 -20.388 -3.221 34 HG2 LYS 8 1HG LYS 8 10.370 -19.788 -2.894 35 HG3 LYS 8 2HG LYS 8 10.385 -20.522 -1.289 36 HD2 LYS 8 1HD LYS 8 9.777 -22.703 -2.492 37 HD3 LYS 8 2HD LYS 8 10.256 -21.868 -3.971 38 HE2 LYS 8 1HE LYS 8 12.465 -21.817 -3.388 39 HE3 LYS 8 2HE LYS 8 12.121 -21.784 -1.660 40 HZ1 LYS 8 1HZ LYS 8 13.014 -23.933 -2.961 41 HZ2 LYS 8 2HZ LYS 8 11.348 -24.215 -3.035 42 HZ3 LYS 8 3HZ LYS 8 12.104 -24.011 -1.536 43 H GLU 9 H GLU 9 6.455 -20.267 0.319 44 HA GLU 9 HA GLU 9 8.468 -20.479 2.403 45 HB2 GLU 9 1HB GLU 9 6.212 -18.541 2.462 46 HB3 GLU 9 2HB GLU 9 6.585 -19.393 3.954 47 HG2 GLU 9 1HG GLU 9 8.596 -18.359 4.211 48 HG3 GLU 9 2HG GLU 9 8.826 -18.129 2.480 49 H ALA 10 H ALA 10 7.947 -21.964 4.020 50 HA ALA 10 HA ALA 10 5.400 -23.397 3.720 51 HB1 ALA 10 1HB ALA 10 8.087 -24.744 3.970 52 HB2 ALA 10 2HB ALA 10 6.517 -25.543 3.864 53 HB3 ALA 10 3HB ALA 10 7.137 -24.629 2.489 54 H LEU 11 H LEU 11 4.486 -22.781 5.613 55 HA LEU 11 HA LEU 11 5.343 -24.001 8.015 56 HB2 LEU 11 1HB LEU 11 6.297 -22.333 9.218 57 HB3 LEU 11 2HB LEU 11 6.840 -21.860 7.609 58 HG LEU 11 HG LEU 11 4.447 -20.686 9.022 59 HD11 LEU 11 1HD1 LEU 11 5.759 -19.192 10.024 60 HD12 LEU 11 2HD1 LEU 11 6.732 -18.950 8.573 61 HD13 LEU 11 3HD1 LEU 11 7.097 -20.285 9.665 62 HD21 LEU 11 1HD2 LEU 11 5.831 -20.109 6.421 63 HD22 LEU 11 2HD2 LEU 11 4.845 -18.898 7.241 64 HD23 LEU 11 3HD2 LEU 11 4.120 -20.419 6.717 65 H GLU 12 H GLU 12 4.090 -22.721 9.950 66 HA GLU 12 HA GLU 12 1.591 -21.565 9.195 67 HB2 GLU 12 1HB GLU 12 0.108 -23.333 9.859 68 HB3 GLU 12 2HB GLU 12 1.206 -23.967 8.642 69 HG2 GLU 12 1HG GLU 12 2.599 -24.732 10.709 70 HG3 GLU 12 2HG GLU 12 1.063 -24.561 11.556 71 H ALA 13 H ALA 13 1.430 -20.076 10.729 72 HA ALA 13 HA ALA 13 1.955 -20.873 13.518 73 HB1 ALA 13 1HB ALA 13 2.192 -18.050 13.216 74 HB2 ALA 13 2HB ALA 13 3.416 -19.218 13.714 75 HB3 ALA 13 3HB ALA 13 3.201 -18.839 12.004 76 H LEU 14 H LEU 14 0.526 -20.201 15.085 77 HA LEU 14 HA LEU 14 -2.129 -19.581 14.193 78 HB2 LEU 14 1HB LEU 14 -2.788 -19.857 16.457 79 HB3 LEU 14 2HB LEU 14 -1.592 -21.099 16.097 80 HG LEU 14 HG LEU 14 0.049 -19.320 17.172 81 HD11 LEU 14 1HD1 LEU 14 -2.647 -18.405 17.912 82 HD12 LEU 14 2HD1 LEU 14 -1.123 -17.522 17.845 83 HD13 LEU 14 3HD1 LEU 14 -1.492 -18.536 19.240 84 HD21 LEU 14 1HD2 LEU 14 -1.362 -20.582 19.347 85 HD22 LEU 14 2HD2 LEU 14 0.243 -20.924 18.697 86 HD23 LEU 14 3HD2 LEU 14 -1.180 -21.687 17.985 87 H VAL 15 H VAL 15 0.438 -17.861 15.900 88 HA VAL 15 HA VAL 15 -1.195 -15.474 16.172 89 HB VAL 15 HB VAL 15 0.348 -16.079 17.983 90 HG11 VAL 15 1HG1 VAL 15 2.611 -15.397 16.123 91 HG12 VAL 15 2HG1 VAL 15 2.700 -16.082 17.747 92 HG13 VAL 15 3HG1 VAL 15 2.077 -17.053 16.412 93 HG21 VAL 15 1HG2 VAL 15 1.564 -13.843 18.088 94 HG22 VAL 15 2HG2 VAL 15 0.845 -13.504 16.514 95 HG23 VAL 15 3HG2 VAL 15 -0.191 -13.790 17.913 96 HA PRO 16 HA PRO 16 0.075 -13.706 12.331 97 HB2 PRO 16 1HB PRO 16 -0.609 -11.133 12.857 98 HB3 PRO 16 2HB PRO 16 -1.801 -12.390 12.502 99 HG2 PRO 16 1HG PRO 16 -0.943 -11.286 15.150 100 HG3 PRO 16 2HG PRO 16 -2.575 -11.670 14.573 101 HD2 PRO 16 1HD PRO 16 -1.184 -13.316 16.212 102 HD3 PRO 16 2HD PRO 16 -2.333 -13.922 15.002 103 H VAL 17 H VAL 17 1.329 -11.665 11.607 104 HA VAL 17 HA VAL 17 3.435 -10.930 13.502 105 HB VAL 17 HB VAL 17 5.102 -11.238 11.562 106 HG11 VAL 17 1HG1 VAL 17 5.539 -13.558 12.218 107 HG12 VAL 17 2HG1 VAL 17 5.159 -12.549 13.614 108 HG13 VAL 17 3HG1 VAL 17 3.943 -13.647 12.961 109 HG21 VAL 17 1HG2 VAL 17 2.699 -12.321 10.397 110 HG22 VAL 17 2HG2 VAL 17 4.260 -11.991 9.644 111 HG23 VAL 17 3HG2 VAL 17 3.976 -13.537 10.446 112 H THR 18 H THR 18 4.729 -9.093 12.771 113 HA THR 18 HA THR 18 3.104 -7.265 11.151 114 HB THR 18 HB THR 18 5.423 -6.562 12.957 115 HG1 THR 18 1HG THR 18 2.617 -6.531 13.475 116 HG21 THR 18 1HG2 THR 18 5.219 -4.614 11.851 117 HG22 THR 18 2HG2 THR 18 3.754 -4.395 12.809 118 HG23 THR 18 3HG2 THR 18 3.652 -5.055 11.177 119 H ILE 19 H ILE 19 3.823 -6.400 9.285 120 HA ILE 19 HA ILE 19 6.595 -6.999 8.483 121 HB ILE 19 HB ILE 19 5.829 -7.233 6.168 122 HG12 ILE 19 1HG1 ILE 19 2.992 -7.299 7.154 123 HG13 ILE 19 2HG1 ILE 19 3.733 -5.778 6.666 124 HG21 ILE 19 1HG2 ILE 19 5.388 -9.043 8.289 125 HG22 ILE 19 2HG2 ILE 19 4.034 -9.206 7.171 126 HG23 ILE 19 3HG2 ILE 19 5.686 -9.407 6.589 127 HD11 ILE 19 1HD1 ILE 19 4.278 -6.935 4.472 128 HD12 ILE 19 2HD1 ILE 19 3.162 -8.196 4.994 129 HD13 ILE 19 3HD1 ILE 19 2.588 -6.543 4.781 130 H GLU 20 H GLU 20 7.163 -5.598 6.454 131 HA GLU 20 HA GLU 20 6.252 -2.843 6.972 132 HB2 GLU 20 1HB GLU 20 9.015 -3.901 6.419 133 HB3 GLU 20 2HB GLU 20 8.603 -2.217 6.129 134 HG2 GLU 20 1HG GLU 20 7.998 -1.946 8.470 135 HG3 GLU 20 2HG GLU 20 8.371 -3.642 8.770 136 H VAL 21 H VAL 21 5.680 -1.619 5.254 137 HA VAL 21 HA VAL 21 6.147 -2.717 2.563 138 HB VAL 21 HB VAL 21 3.577 -1.380 3.407 139 HG11 VAL 21 1HG1 VAL 21 4.035 -3.081 0.980 140 HG12 VAL 21 2HG1 VAL 21 2.753 -1.909 1.287 141 HG13 VAL 21 3HG1 VAL 21 4.399 -1.356 0.975 142 HG21 VAL 21 1HG2 VAL 21 3.168 -3.311 4.483 143 HG22 VAL 21 2HG2 VAL 21 2.889 -3.950 2.863 144 HG23 VAL 21 3HG2 VAL 21 4.456 -4.173 3.641 145 H GLU 22 H GLU 22 7.320 -1.327 1.432 146 HA GLU 22 HA GLU 22 7.699 1.379 2.188 147 HB2 GLU 22 1HB GLU 22 8.454 -0.206 -0.258 148 HB3 GLU 22 2HB GLU 22 8.814 1.510 -0.121 149 HG2 GLU 22 1HG GLU 22 10.327 1.190 1.604 150 HG3 GLU 22 2HG GLU 22 9.670 -0.393 2.016 151 H VAL 23 H VAL 23 6.219 2.917 1.985 152 HA VAL 23 HA VAL 23 4.885 3.286 -0.576 153 HB VAL 23 HB VAL 23 3.341 3.019 2.008 154 HG11 VAL 23 1HG1 VAL 23 2.145 3.535 -0.692 155 HG12 VAL 23 2HG1 VAL 23 1.417 3.736 0.903 156 HG13 VAL 23 3HG1 VAL 23 2.657 4.861 0.350 157 HG21 VAL 23 1HG2 VAL 23 3.687 0.849 1.251 158 HG22 VAL 23 2HG2 VAL 23 2.127 1.270 0.546 159 HG23 VAL 23 3HG2 VAL 23 3.584 1.318 -0.446 160 HA PRO 24 HA PRO 24 5.805 7.489 0.401 161 HB2 PRO 24 1HB PRO 24 4.232 8.673 -1.467 162 HB3 PRO 24 2HB PRO 24 5.750 7.860 -1.865 163 HG2 PRO 24 1HG PRO 24 2.943 6.847 -2.095 164 HG3 PRO 24 2HG PRO 24 4.288 6.684 -3.239 165 HD2 PRO 24 1HD PRO 24 3.547 4.689 -1.564 166 HD3 PRO 24 2HD PRO 24 5.231 4.935 -2.071 167 H PHE 25 H PHE 25 5.051 8.672 2.032 168 HA PHE 25 HA PHE 25 2.603 8.338 3.274 169 HB2 PHE 25 1HB PHE 25 4.562 9.447 4.306 170 HB3 PHE 25 2HB PHE 25 4.295 10.846 3.270 171 HD1 PHE 25 1HD PHE 25 1.912 11.914 3.430 172 HD2 PHE 25 2HD PHE 25 3.646 9.424 6.415 173 HE1 PHE 25 1HE PHE 25 0.382 12.864 5.107 174 HE2 PHE 25 2HE PHE 25 2.119 10.370 8.096 175 HZ PHE 25 HZ PHE 25 0.483 12.091 7.442 176 H ASP 26 H ASP 26 3.507 10.526 0.678 177 HA ASP 26 HA ASP 26 1.375 12.269 0.645 178 HB2 ASP 26 1HB ASP 26 2.815 11.033 -1.711 179 HB3 ASP 26 2HB ASP 26 1.755 12.437 -1.809 180 H LEU 27 H LEU 27 1.368 8.897 0.036 181 HA LEU 27 HA LEU 27 -1.229 8.995 -1.302 182 HB2 LEU 27 1HB LEU 27 0.730 6.774 -0.784 183 HB3 LEU 27 2HB LEU 27 -0.886 6.486 -1.425 184 HG LEU 27 HG LEU 27 1.251 8.147 -2.760 185 HD11 LEU 27 1HD1 LEU 27 0.230 5.571 -3.843 186 HD12 LEU 27 2HD1 LEU 27 1.438 5.534 -2.559 187 HD13 LEU 27 3HD1 LEU 27 1.790 6.358 -4.077 188 HD21 LEU 27 1HD2 LEU 27 -0.598 7.480 -4.652 189 HD22 LEU 27 2HD2 LEU 27 -0.521 9.027 -3.809 190 HD23 LEU 27 3HD2 LEU 27 -1.611 7.763 -3.236 191 H HIS 28 H HIS 28 0.285 7.984 1.696 192 HA HIS 28 HA HIS 28 -1.478 6.386 2.934 193 HB2 HIS 28 1HB HIS 28 -0.113 8.832 4.058 194 HB3 HIS 28 2HB HIS 28 -1.005 7.694 5.062 195 HD2 HIS 28 2HD HIS 28 0.959 5.835 2.393 196 HE1 HIS 28 1HE HIS 28 3.372 5.849 5.882 197 HE2 HIS 28 2HE HIS 28 3.098 4.949 3.547 198 H ARG 29 H ARG 29 -1.832 9.939 2.972 199 HA ARG 29 HA ARG 29 -4.230 10.179 4.246 200 HB2 ARG 29 1HB ARG 29 -4.577 12.258 3.011 201 HB3 ARG 29 2HB ARG 29 -2.894 12.093 3.494 202 HG2 ARG 29 1HG ARG 29 -2.519 11.136 1.144 203 HG3 ARG 29 2HG ARG 29 -4.099 11.826 0.767 204 HD2 ARG 29 1HD ARG 29 -2.099 13.555 2.123 205 HD3 ARG 29 2HD ARG 29 -1.853 13.187 0.416 206 HE ARG 29 HE ARG 29 -4.401 13.988 0.428 207 HH11 ARG 29 1HH1 ARG 29 -1.552 15.366 1.878 208 HH12 ARG 29 2HH1 ARG 29 -2.123 16.998 1.762 209 HH21 ARG 29 1HH2 ARG 29 -5.164 16.132 0.270 210 HH22 ARG 29 2HH2 ARG 29 -4.179 17.432 0.848 211 H TYR 30 H TYR 30 -3.698 9.305 0.869 212 HA TYR 30 HA TYR 30 -6.496 9.258 0.228 213 HB2 TYR 30 1HB TYR 30 -4.191 8.042 -1.305 214 HB3 TYR 30 2HB TYR 30 -5.798 8.397 -1.928 215 HD1 TYR 30 2HD TYR 30 -6.269 11.100 -0.861 216 HD2 TYR 30 1HD TYR 30 -2.753 9.394 -2.541 217 HE1 TYR 30 2HE TYR 30 -5.514 13.340 -1.540 218 HE2 TYR 30 1HE TYR 30 -1.987 11.629 -3.223 219 HH TYR 30 HH TYR 30 -4.040 14.417 -3.014 220 H VAL 31 H VAL 31 -4.020 6.851 0.989 221 HA VAL 31 HA VAL 31 -5.499 4.538 0.487 222 HB VAL 31 HB VAL 31 -3.398 4.942 2.622 223 HG11 VAL 31 1HG1 VAL 31 -3.487 2.756 3.073 224 HG12 VAL 31 2HG1 VAL 31 -5.056 2.775 2.264 225 HG13 VAL 31 3HG1 VAL 31 -3.605 2.322 1.368 226 HG21 VAL 31 1HG2 VAL 31 -1.807 4.151 0.980 227 HG22 VAL 31 2HG2 VAL 31 -3.090 3.961 -0.215 228 HG23 VAL 31 3HG2 VAL 31 -2.648 5.570 0.355 229 H ILE 32 H ILE 32 -5.051 6.259 3.579 230 HA ILE 32 HA ILE 32 -6.836 4.635 5.045 231 HB ILE 32 HB ILE 32 -6.107 7.502 5.643 232 HG12 ILE 32 1HG1 ILE 32 -4.694 5.036 6.657 233 HG13 ILE 32 2HG1 ILE 32 -4.155 5.914 5.230 234 HG21 ILE 32 1HG2 ILE 32 -6.330 6.311 8.032 235 HG22 ILE 32 2HG2 ILE 32 -7.681 7.096 7.215 236 HG23 ILE 32 3HG2 ILE 32 -7.487 5.346 7.115 237 HD11 ILE 32 1HD1 ILE 32 -4.379 7.030 8.015 238 HD12 ILE 32 2HD1 ILE 32 -2.891 6.569 7.188 239 HD13 ILE 32 3HD1 ILE 32 -3.850 7.921 6.588 240 H GLY 33 H GLY 33 -7.281 8.015 3.968 241 HA2 GLY 33 1HA GLY 33 -9.200 8.858 2.880 242 HA3 GLY 33 2HA GLY 33 -10.073 7.406 3.346 243 H GLN 34 H GLN 34 -10.708 10.307 3.641 244 HA GLN 34 HA GLN 34 -10.487 11.342 6.146 245 HB2 GLN 34 1HB GLN 34 -11.686 12.412 4.254 246 HB3 GLN 34 2HB GLN 34 -13.035 11.315 4.520 247 HG2 GLN 34 1HG GLN 34 -13.610 12.317 6.542 248 HG3 GLN 34 2HG GLN 34 -12.039 13.100 6.706 249 HE21 GLN 34 1HE2 GLN 34 -12.502 15.198 6.744 250 HE22 GLN 34 2HE2 GLN 34 -13.411 16.043 5.542 251 H LYS 35 H LYS 35 -12.949 8.996 5.102 252 HA LYS 35 HA LYS 35 -13.862 8.650 7.836 253 HB2 LYS 35 1HB LYS 35 -14.723 7.398 5.226 254 HB3 LYS 35 2HB LYS 35 -15.437 6.993 6.780 255 HG2 LYS 35 1HG LYS 35 -16.450 9.059 7.003 256 HG3 LYS 35 2HG LYS 35 -15.347 9.835 5.864 257 HD2 LYS 35 1HD LYS 35 -17.270 9.661 4.601 258 HD3 LYS 35 2HD LYS 35 -16.414 8.188 4.144 259 HE2 LYS 35 1HE LYS 35 -18.583 7.451 4.559 260 HE3 LYS 35 2HE LYS 35 -17.729 7.081 6.057 261 HZ1 LYS 35 1HZ LYS 35 -18.938 8.557 7.206 262 HZ2 LYS 35 2HZ LYS 35 -20.047 8.409 5.937 263 HZ3 LYS 35 3HZ LYS 35 -18.955 9.701 5.959 264 H GLY 36 H GLY 36 -12.696 6.438 5.281 265 HA2 GLY 36 1HA GLY 36 -10.715 5.056 5.959 266 HA3 GLY 36 2HA GLY 36 -11.611 4.729 7.436 267 H SER 37 H SER 37 -12.386 4.668 3.953 268 HA SER 37 HA SER 37 -13.782 2.132 4.374 269 HB2 SER 37 1HB SER 37 -13.906 4.289 2.318 270 HB3 SER 37 2HB SER 37 -14.332 2.652 1.819 271 HG SER 37 HG SER 37 -15.920 2.617 3.404 272 H GLY 38 H GLY 38 -11.646 3.487 1.848 273 HA2 GLY 38 1HA GLY 38 -10.922 1.351 0.423 274 HA3 GLY 38 2HA GLY 38 -9.730 2.539 0.928 275 H ILE 39 H ILE 39 -8.973 2.178 3.291 276 HA ILE 39 HA ILE 39 -7.548 -0.198 3.411 277 HB ILE 39 HB ILE 39 -8.361 1.611 5.689 278 HG12 ILE 39 1HG1 ILE 39 -5.966 1.505 3.860 279 HG13 ILE 39 2HG1 ILE 39 -7.064 2.853 4.136 280 HG21 ILE 39 1HG2 ILE 39 -7.676 -0.730 6.339 281 HG22 ILE 39 2HG2 ILE 39 -6.087 -0.356 5.673 282 HG23 ILE 39 3HG2 ILE 39 -6.714 0.574 7.034 283 HD11 ILE 39 1HD1 ILE 39 -5.001 1.761 6.030 284 HD12 ILE 39 2HD1 ILE 39 -5.007 3.332 5.226 285 HD13 ILE 39 3HD1 ILE 39 -6.204 2.972 6.471 286 H ARG 40 H ARG 40 -10.577 0.653 5.066 287 HA ARG 40 HA ARG 40 -10.951 -1.601 6.596 288 HB2 ARG 40 1HB ARG 40 -12.407 0.527 6.366 289 HB3 ARG 40 2HB ARG 40 -13.239 -0.359 5.094 290 HG2 ARG 40 1HG ARG 40 -14.523 -0.743 6.994 291 HG3 ARG 40 2HG ARG 40 -13.548 -2.205 6.836 292 HD2 ARG 40 1HD ARG 40 -11.993 -1.371 8.508 293 HD3 ARG 40 2HD ARG 40 -12.909 0.130 8.634 294 HE ARG 40 HE ARG 40 -14.771 -1.686 9.239 295 HH11 ARG 40 1HH1 ARG 40 -11.496 -1.293 10.351 296 HH12 ARG 40 2HH1 ARG 40 -11.806 -1.973 11.914 297 HH21 ARG 40 1HH2 ARG 40 -15.192 -2.584 11.293 298 HH22 ARG 40 2HH2 ARG 40 -13.908 -2.708 12.448 299 H LYS 41 H LYS 41 -12.077 -1.108 3.250 300 HA LYS 41 HA LYS 41 -13.284 -3.514 2.766 301 HB2 LYS 41 1HB LYS 41 -13.112 -1.596 1.170 302 HB3 LYS 41 2HB LYS 41 -11.464 -2.095 0.814 303 HG2 LYS 41 1HG LYS 41 -12.314 -4.261 0.014 304 HG3 LYS 41 2HG LYS 41 -13.961 -3.702 0.314 305 HD2 LYS 41 1HD LYS 41 -13.885 -2.148 -1.408 306 HD3 LYS 41 2HD LYS 41 -12.120 -2.100 -1.419 307 HE2 LYS 41 1HE LYS 41 -12.693 -3.288 -3.354 308 HE3 LYS 41 2HE LYS 41 -12.232 -4.530 -2.191 309 HZ1 LYS 41 1HZ LYS 41 -14.253 -5.123 -3.378 310 HZ2 LYS 41 2HZ LYS 41 -15.016 -3.716 -2.830 311 HZ3 LYS 41 3HZ LYS 41 -14.568 -4.918 -1.728 312 H MET 42 H MET 42 -9.814 -2.798 2.517 313 HA MET 42 HA MET 42 -9.047 -5.386 1.677 314 HB2 MET 42 1HB MET 42 -7.444 -3.259 3.108 315 HB3 MET 42 2HB MET 42 -6.765 -4.687 2.338 316 HG2 MET 42 1HG MET 42 -7.076 -3.878 0.236 317 HG3 MET 42 2HG MET 42 -8.478 -2.915 0.694 318 HE1 MET 42 1HE MET 42 -4.741 -3.364 0.670 319 HE2 MET 42 2HE MET 42 -4.061 -1.782 1.051 320 HE3 MET 42 3HE MET 42 -4.706 -2.798 2.340 321 H MET 43 H MET 43 -8.564 -3.835 4.858 322 HA MET 43 HA MET 43 -7.659 -5.950 6.305 323 HB2 MET 43 1HB MET 43 -9.647 -3.853 7.192 324 HB3 MET 43 2HB MET 43 -8.779 -4.922 8.286 325 HG2 MET 43 1HG MET 43 -6.654 -3.975 7.232 326 HG3 MET 43 2HG MET 43 -7.698 -2.717 6.573 327 HE1 MET 43 1HE MET 43 -9.434 -1.657 7.902 328 HE2 MET 43 2HE MET 43 -9.411 -1.336 9.636 329 HE3 MET 43 3HE MET 43 -8.405 -0.378 8.549 330 H ASP 44 H ASP 44 -11.073 -5.192 5.669 331 HA ASP 44 HA ASP 44 -12.131 -7.391 7.090 332 HB2 ASP 44 1HB ASP 44 -13.178 -5.472 5.058 333 HB3 ASP 44 2HB ASP 44 -14.108 -6.932 5.381 334 H GLU 45 H GLU 45 -11.072 -6.976 3.762 335 HA GLU 45 HA GLU 45 -12.102 -9.426 2.777 336 HB2 GLU 45 1HB GLU 45 -11.489 -7.624 1.264 337 HB3 GLU 45 2HB GLU 45 -9.814 -7.713 1.791 338 HG2 GLU 45 1HG GLU 45 -9.980 -8.786 -0.322 339 HG3 GLU 45 2HG GLU 45 -9.721 -10.031 0.899 340 H PHE 46 H PHE 46 -8.760 -8.503 3.626 341 HA PHE 46 HA PHE 46 -8.002 -11.311 3.715 342 HB2 PHE 46 1HB PHE 46 -6.282 -8.879 4.239 343 HB3 PHE 46 2HB PHE 46 -5.728 -10.519 3.919 344 HD1 PHE 46 1HD PHE 46 -6.426 -11.532 1.634 345 HD2 PHE 46 2HD PHE 46 -6.434 -7.366 2.506 346 HE1 PHE 46 1HE PHE 46 -6.331 -11.032 -0.774 347 HE2 PHE 46 2HE PHE 46 -6.341 -6.859 0.100 348 HZ PHE 46 HZ PHE 46 -6.289 -8.692 -1.543 349 H GLU 47 H GLU 47 -9.668 -9.619 5.765 350 HA GLU 47 HA GLU 47 -9.846 -9.384 8.041 351 HB2 GLU 47 1HB GLU 47 -8.887 -12.220 7.685 352 HB3 GLU 47 2HB GLU 47 -9.419 -11.588 9.237 353 HG2 GLU 47 1HG GLU 47 -11.235 -11.263 6.917 354 HG3 GLU 47 2HG GLU 47 -11.050 -12.875 7.606 355 H VAL 48 H VAL 48 -7.394 -8.343 7.049 356 HA VAL 48 HA VAL 48 -5.487 -9.044 9.175 357 HB VAL 48 HB VAL 48 -3.781 -7.909 7.812 358 HG11 VAL 48 1HG1 VAL 48 -3.409 -9.695 6.421 359 HG12 VAL 48 2HG1 VAL 48 -4.599 -10.388 7.525 360 HG13 VAL 48 3HG1 VAL 48 -5.100 -9.810 5.935 361 HG21 VAL 48 1HG2 VAL 48 -5.258 -6.301 6.695 362 HG22 VAL 48 2HG2 VAL 48 -4.279 -7.200 5.535 363 HG23 VAL 48 3HG2 VAL 48 -5.977 -7.616 5.763 364 H ASN 49 H ASN 49 -3.965 -6.918 9.480 365 HA ASN 49 HA ASN 49 -5.747 -4.642 10.015 366 HB2 ASN 49 1HB ASN 49 -3.787 -5.914 11.931 367 HB3 ASN 49 2HB ASN 49 -4.478 -4.313 12.178 368 HD21 ASN 49 1HD2 ASN 49 -4.823 -6.286 14.031 369 HD22 ASN 49 2HD2 ASN 49 -6.477 -6.786 14.052 370 H ILE 50 H ILE 50 -5.011 -2.927 8.966 371 HA ILE 50 HA ILE 50 -2.135 -2.720 8.411 372 HB ILE 50 HB ILE 50 -4.474 -1.313 7.120 373 HG12 ILE 50 1HG1 ILE 50 -2.535 -3.307 5.937 374 HG13 ILE 50 2HG1 ILE 50 -4.112 -3.749 6.580 375 HG21 ILE 50 1HG2 ILE 50 -2.544 -0.701 5.462 376 HG22 ILE 50 2HG2 ILE 50 -2.822 0.268 6.907 377 HG23 ILE 50 3HG2 ILE 50 -1.528 -0.929 6.884 378 HD11 ILE 50 1HD1 ILE 50 -4.858 -1.822 4.885 379 HD12 ILE 50 2HD1 ILE 50 -3.401 -2.388 4.067 380 HD13 ILE 50 3HD1 ILE 50 -4.708 -3.518 4.424 381 H HIS 51 H HIS 51 -0.926 -1.171 9.306 382 HA HIS 51 HA HIS 51 -2.299 1.027 10.710 383 HB2 HIS 51 1HB HIS 51 -0.140 -0.810 11.628 384 HB3 HIS 51 2HB HIS 51 -0.064 0.869 12.156 385 HD1 HIS 51 1HD HIS 51 -0.653 0.459 14.585 386 HD2 HIS 51 2HD HIS 51 -3.459 -1.094 11.944 387 HE1 HIS 51 1HE HIS 51 -2.611 -0.222 16.008 388 H VAL 52 H VAL 52 -1.740 2.997 10.064 389 HA VAL 52 HA VAL 52 0.705 3.295 8.452 390 HB VAL 52 HB VAL 52 -1.775 5.020 8.519 391 HG11 VAL 52 1HG1 VAL 52 0.570 6.076 8.072 392 HG12 VAL 52 2HG1 VAL 52 0.401 5.302 6.496 393 HG13 VAL 52 3HG1 VAL 52 -0.796 6.482 7.033 394 HG21 VAL 52 1HG2 VAL 52 -0.733 3.377 6.226 395 HG22 VAL 52 2HG2 VAL 52 -1.894 2.747 7.395 396 HG23 VAL 52 3HG2 VAL 52 -2.315 4.139 6.397 397 HA PRO 53 HA PRO 53 2.489 5.742 11.662 398 HB2 PRO 53 1HB PRO 53 4.394 6.991 10.184 399 HB3 PRO 53 2HB PRO 53 4.508 5.293 10.662 400 HG2 PRO 53 1HG PRO 53 3.629 6.471 8.055 401 HG3 PRO 53 2HG PRO 53 4.682 5.077 8.353 402 HD2 PRO 53 1HD PRO 53 2.070 4.814 7.691 403 HD3 PRO 53 2HD PRO 53 2.907 3.662 8.751 404 H ALA 54 H ALA 54 1.923 7.632 12.539 405 HA ALA 54 HA ALA 54 0.218 9.459 11.331 406 HB1 ALA 54 1HB ALA 54 0.067 9.969 13.490 407 HB2 ALA 54 2HB ALA 54 1.637 9.246 13.840 408 HB3 ALA 54 3HB ALA 54 1.540 10.919 13.289 409 HA PRO 55 HA PRO 55 2.620 12.278 8.977 410 HB2 PRO 55 1HB PRO 55 1.691 14.712 9.740 411 HB3 PRO 55 2HB PRO 55 0.746 13.589 8.754 412 HG2 PRO 55 1HG PRO 55 0.601 14.110 11.699 413 HG3 PRO 55 2HG PRO 55 -0.719 13.900 10.534 414 HD2 PRO 55 1HD PRO 55 0.096 11.916 12.186 415 HD3 PRO 55 2HD PRO 55 -0.544 11.602 10.560 416 H GLU 56 H GLU 56 2.717 12.551 12.426 417 HA GLU 56 HA GLU 56 4.816 14.510 12.514 418 HB2 GLU 56 1HB GLU 56 4.862 14.076 14.906 419 HB3 GLU 56 2HB GLU 56 3.202 14.260 14.357 420 HG2 GLU 56 1HG GLU 56 2.731 12.003 14.610 421 HG3 GLU 56 2HG GLU 56 4.435 11.547 14.598 422 H LEU 57 H LEU 57 4.600 11.038 12.398 423 HA LEU 57 HA LEU 57 7.293 10.534 13.219 424 HB2 LEU 57 1HB LEU 57 5.310 8.815 11.736 425 HB3 LEU 57 2HB LEU 57 6.867 8.254 12.342 426 HG LEU 57 HG LEU 57 4.694 9.349 14.119 427 HD11 LEU 57 1HD1 LEU 57 5.316 6.438 13.842 428 HD12 LEU 57 2HD1 LEU 57 4.165 7.211 12.753 429 HD13 LEU 57 3HD1 LEU 57 3.876 7.220 14.493 430 HD21 LEU 57 1HD2 LEU 57 6.773 9.475 15.216 431 HD22 LEU 57 2HD2 LEU 57 7.293 7.912 14.587 432 HD23 LEU 57 3HD2 LEU 57 6.022 7.992 15.808 433 H GLN 58 H GLN 58 5.753 11.381 10.247 434 HA GLN 58 HA GLN 58 6.499 11.622 8.107 435 HB2 GLN 58 1HB GLN 58 9.142 12.099 9.495 436 HB3 GLN 58 2HB GLN 58 8.714 12.615 7.869 437 HG2 GLN 58 1HG GLN 58 6.837 13.942 8.962 438 HG3 GLN 58 2HG GLN 58 7.667 13.634 10.486 439 HE21 GLN 58 1HE2 GLN 58 8.500 15.540 11.024 440 HE22 GLN 58 2HE2 GLN 58 9.532 16.498 10.023 441 H SER 59 H SER 59 6.212 9.036 8.546 442 HA SER 59 HA SER 59 8.646 7.806 7.429 443 HB2 SER 59 1HB SER 59 7.771 7.140 9.830 444 HB3 SER 59 2HB SER 59 6.632 6.160 8.907 445 HG SER 59 HG SER 59 8.190 4.787 8.673 446 H ASP 60 H ASP 60 8.417 6.382 5.727 447 HA ASP 60 HA ASP 60 5.773 6.404 4.435 448 HB2 ASP 60 1HB ASP 60 7.369 5.647 2.428 449 HB3 ASP 60 2HB ASP 60 7.099 7.341 2.828 450 H ILE 61 H ILE 61 7.232 4.486 6.441 451 HA ILE 61 HA ILE 61 6.889 2.002 4.915 452 HB ILE 61 HB ILE 61 7.989 2.127 7.703 453 HG12 ILE 61 1HG1 ILE 61 9.241 3.764 6.327 454 HG13 ILE 61 2HG1 ILE 61 10.234 2.393 6.807 455 HG21 ILE 61 1HG2 ILE 61 7.697 -0.078 7.143 456 HG22 ILE 61 2HG2 ILE 61 8.008 0.201 5.431 457 HG23 ILE 61 3HG2 ILE 61 9.347 0.187 6.579 458 HD11 ILE 61 1HD1 ILE 61 10.831 2.362 4.657 459 HD12 ILE 61 2HD1 ILE 61 9.281 1.559 4.405 460 HD13 ILE 61 3HD1 ILE 61 9.426 3.298 4.150 461 H ILE 62 H ILE 62 4.873 1.252 5.003 462 HA ILE 62 HA ILE 62 3.226 1.686 7.357 463 HB ILE 62 HB ILE 62 2.659 0.501 4.649 464 HG12 ILE 62 1HG1 ILE 62 1.407 2.854 6.076 465 HG13 ILE 62 2HG1 ILE 62 2.772 2.998 4.975 466 HG21 ILE 62 1HG2 ILE 62 1.086 0.312 7.166 467 HG22 ILE 62 2HG2 ILE 62 0.221 0.560 5.650 468 HG23 ILE 62 3HG2 ILE 62 1.261 -0.850 5.852 469 HD11 ILE 62 1HD1 ILE 62 1.297 3.253 3.348 470 HD12 ILE 62 2HD1 ILE 62 0.876 1.552 3.555 471 HD13 ILE 62 3HD1 ILE 62 -0.041 2.797 4.403 472 H ALA 63 H ALA 63 2.509 0.126 8.743 473 HA ALA 63 HA ALA 63 3.851 -2.482 8.544 474 HB1 ALA 63 1HB ALA 63 2.885 -0.852 10.859 475 HB2 ALA 63 2HB ALA 63 3.117 -2.593 11.026 476 HB3 ALA 63 3HB ALA 63 4.475 -1.560 10.575 477 H ILE 64 H ILE 64 2.709 -4.279 8.211 478 HA ILE 64 HA ILE 64 -0.218 -4.147 8.539 479 HB ILE 64 HB ILE 64 1.303 -5.749 6.479 480 HG12 ILE 64 1HG1 ILE 64 -0.502 -3.359 6.066 481 HG13 ILE 64 2HG1 ILE 64 1.255 -3.268 6.098 482 HG21 ILE 64 1HG2 ILE 64 -0.879 -6.312 5.578 483 HG22 ILE 64 2HG2 ILE 64 -0.762 -6.825 7.261 484 HG23 ILE 64 3HG2 ILE 64 -1.666 -5.370 6.844 485 HD11 ILE 64 1HD1 ILE 64 1.073 -3.497 3.885 486 HD12 ILE 64 2HD1 ILE 64 0.861 -5.210 4.249 487 HD13 ILE 64 3HD1 ILE 64 -0.549 -4.183 3.987 488 H THR 65 H THR 65 -0.947 -5.440 10.078 489 HA THR 65 HA THR 65 0.694 -7.693 10.964 490 HB THR 65 HB THR 65 -1.788 -6.536 12.248 491 HG1 THR 65 1HG THR 65 0.958 -5.954 12.495 492 HG21 THR 65 1HG2 THR 65 -1.468 -7.967 14.016 493 HG22 THR 65 2HG2 THR 65 0.258 -8.147 13.699 494 HG23 THR 65 3HG2 THR 65 -0.918 -8.988 12.689 495 H GLY 66 H GLY 66 0.090 -9.789 10.787 496 HA2 GLY 66 1HA GLY 66 -2.385 -10.917 10.628 497 HA3 GLY 66 2HA GLY 66 -2.059 -10.414 8.976 498 H LEU 67 H LEU 67 -2.458 -13.011 9.302 499 HA LEU 67 HA LEU 67 -0.187 -14.549 9.983 500 HB2 LEU 67 1HB LEU 67 -2.596 -15.137 8.281 501 HB3 LEU 67 2HB LEU 67 -1.349 -16.334 8.622 502 HG LEU 67 HG LEU 67 -3.040 -14.973 10.716 503 HD11 LEU 67 1HD1 LEU 67 -4.377 -16.897 10.815 504 HD12 LEU 67 2HD1 LEU 67 -3.271 -17.822 9.800 505 HD13 LEU 67 3HD1 LEU 67 -4.237 -16.526 9.096 506 HD21 LEU 67 1HD2 LEU 67 -0.829 -15.719 11.489 507 HD22 LEU 67 2HD2 LEU 67 -1.181 -17.343 10.897 508 HD23 LEU 67 3HD2 LEU 67 -2.138 -16.656 12.212 509 H ALA 68 H ALA 68 1.463 -15.373 8.766 510 HA ALA 68 HA ALA 68 2.702 -14.012 6.825 511 HB1 ALA 68 1HB ALA 68 2.550 -17.003 7.120 512 HB2 ALA 68 2HB ALA 68 3.667 -16.193 6.021 513 HB3 ALA 68 3HB ALA 68 3.777 -15.909 7.758 514 H ALA 69 H ALA 69 0.100 -16.343 6.269 515 HA ALA 69 HA ALA 69 0.182 -16.269 3.447 516 HB1 ALA 69 1HB ALA 69 -2.445 -16.746 4.668 517 HB2 ALA 69 2HB ALA 69 -1.516 -17.738 3.544 518 HB3 ALA 69 3HB ALA 69 -1.145 -17.776 5.268 519 H ASN 70 H ASN 70 -1.990 -14.623 5.748 520 HA ASN 70 HA ASN 70 -3.407 -13.127 3.860 521 HB2 ASN 70 1HB ASN 70 -2.789 -12.255 6.688 522 HB3 ASN 70 2HB ASN 70 -4.169 -11.780 5.703 523 HD21 ASN 70 1HD2 ASN 70 -4.740 -12.701 8.105 524 HD22 ASN 70 2HD2 ASN 70 -5.376 -14.306 8.042 525 H LEU 71 H LEU 71 -0.506 -12.295 5.732 526 HA LEU 71 HA LEU 71 -0.150 -9.676 5.007 527 HB2 LEU 71 1HB LEU 71 2.038 -11.740 5.189 528 HB3 LEU 71 2HB LEU 71 2.221 -9.997 5.374 529 HG LEU 71 HG LEU 71 0.603 -11.719 7.246 530 HD11 LEU 71 1HD1 LEU 71 3.457 -11.435 7.000 531 HD12 LEU 71 2HD1 LEU 71 2.519 -12.458 8.087 532 HD13 LEU 71 3HD1 LEU 71 2.893 -10.797 8.544 533 HD21 LEU 71 1HD2 LEU 71 1.233 -8.844 7.030 534 HD22 LEU 71 2HD2 LEU 71 1.336 -9.546 8.645 535 HD23 LEU 71 3HD2 LEU 71 -0.169 -9.653 7.731 536 H ASP 72 H ASP 72 0.754 -12.561 3.166 537 HA ASP 72 HA ASP 72 2.081 -11.270 1.061 538 HB2 ASP 72 1HB ASP 72 0.785 -13.923 1.441 539 HB3 ASP 72 2HB ASP 72 1.125 -13.416 -0.211 540 H ARG 73 H ARG 73 -1.288 -12.439 1.194 541 HA ARG 73 HA ARG 73 -2.096 -11.398 -1.268 542 HB2 ARG 73 1HB ARG 73 -4.056 -11.466 0.973 543 HB3 ARG 73 2HB ARG 73 -4.223 -12.035 -0.682 544 HG2 ARG 73 1HG ARG 73 -2.449 -13.810 0.093 545 HG3 ARG 73 2HG ARG 73 -3.078 -13.407 1.692 546 HD2 ARG 73 1HD ARG 73 -5.265 -14.079 1.106 547 HD3 ARG 73 2HD ARG 73 -4.868 -14.135 -0.612 548 HE ARG 73 HE ARG 73 -3.206 -15.975 0.474 549 HH11 ARG 73 1HH1 ARG 73 -6.643 -15.446 0.646 550 HH12 ARG 73 2HH1 ARG 73 -7.023 -17.124 0.847 551 HH21 ARG 73 1HH2 ARG 73 -3.695 -18.188 0.739 552 HH22 ARG 73 2HH2 ARG 73 -5.346 -18.683 0.900 553 H ALA 74 H ALA 74 -2.659 -10.029 1.980 554 HA ALA 74 HA ALA 74 -3.808 -7.631 1.185 555 HB1 ALA 74 1HB ALA 74 -3.236 -8.756 3.573 556 HB2 ALA 74 2HB ALA 74 -2.041 -7.460 3.530 557 HB3 ALA 74 3HB ALA 74 -3.757 -7.084 3.367 558 H LYS 75 H LYS 75 -0.401 -8.113 2.142 559 HA LYS 75 HA LYS 75 0.626 -5.659 1.574 560 HB2 LYS 75 1HB LYS 75 1.884 -7.620 2.493 561 HB3 LYS 75 2HB LYS 75 1.995 -8.257 0.858 562 HG2 LYS 75 1HG LYS 75 3.194 -6.183 0.196 563 HG3 LYS 75 2HG LYS 75 3.191 -5.696 1.893 564 HD2 LYS 75 1HD LYS 75 4.698 -7.321 2.502 565 HD3 LYS 75 2HD LYS 75 4.241 -8.392 1.175 566 HE2 LYS 75 1HE LYS 75 5.490 -7.167 -0.387 567 HE3 LYS 75 2HE LYS 75 5.620 -5.770 0.681 568 HZ1 LYS 75 1HZ LYS 75 7.506 -6.573 1.478 569 HZ2 LYS 75 2HZ LYS 75 7.422 -7.868 0.395 570 HZ3 LYS 75 3HZ LYS 75 6.754 -8.016 1.942 571 H ALA 76 H ALA 76 0.069 -8.281 -0.748 572 HA ALA 76 HA ALA 76 1.164 -7.055 -3.006 573 HB1 ALA 76 1HB ALA 76 -0.923 -8.541 -4.006 574 HB2 ALA 76 2HB ALA 76 0.700 -9.139 -3.656 575 HB3 ALA 76 3HB ALA 76 -0.583 -9.319 -2.459 576 H GLY 77 H GLY 77 -2.088 -6.846 -1.624 577 HA2 GLY 77 1HA GLY 77 -3.284 -5.388 -3.712 578 HA3 GLY 77 2HA GLY 77 -3.829 -5.409 -2.041 579 H LEU 78 H LEU 78 -1.520 -4.312 -0.841 580 HA LEU 78 HA LEU 78 -2.041 -1.548 -1.218 581 HB2 LEU 78 1HB LEU 78 -1.276 -2.726 0.901 582 HB3 LEU 78 2HB LEU 78 0.341 -2.709 0.201 583 HG LEU 78 HG LEU 78 0.200 -0.218 0.116 584 HD11 LEU 78 1HD1 LEU 78 -1.525 0.815 1.612 585 HD12 LEU 78 2HD1 LEU 78 -2.360 -0.737 1.610 586 HD13 LEU 78 3HD1 LEU 78 -2.148 0.151 0.101 587 HD21 LEU 78 1HD2 LEU 78 0.764 -1.909 2.254 588 HD22 LEU 78 2HD2 LEU 78 -0.213 -0.615 2.945 589 HD23 LEU 78 3HD2 LEU 78 1.267 -0.230 2.065 590 H LEU 79 H LEU 79 0.974 -3.399 -1.695 591 HA LEU 79 HA LEU 79 2.535 -1.496 -2.864 592 HB2 LEU 79 1HB LEU 79 2.305 -4.426 -3.510 593 HB3 LEU 79 2HB LEU 79 3.561 -3.390 -4.186 594 HG LEU 79 HG LEU 79 3.171 -3.854 -1.233 595 HD11 LEU 79 1HD1 LEU 79 4.413 -5.707 -1.315 596 HD12 LEU 79 2HD1 LEU 79 5.523 -5.021 -2.500 597 HD13 LEU 79 3HD1 LEU 79 4.005 -5.747 -3.029 598 HD21 LEU 79 1HD2 LEU 79 5.775 -3.043 -2.312 599 HD22 LEU 79 2HD2 LEU 79 4.905 -2.471 -0.888 600 HD23 LEU 79 3HD2 LEU 79 4.499 -1.839 -2.485 601 H GLU 80 H GLU 80 0.159 -3.557 -4.515 602 HA GLU 80 HA GLU 80 0.619 -2.509 -7.101 603 HB2 GLU 80 1HB GLU 80 -1.786 -3.906 -5.923 604 HB3 GLU 80 2HB GLU 80 -1.619 -3.514 -7.629 605 HG2 GLU 80 1HG GLU 80 0.365 -5.207 -6.141 606 HG3 GLU 80 2HG GLU 80 -1.043 -5.870 -6.968 607 H ARG 81 H ARG 81 -1.640 -1.651 -4.526 608 HA ARG 81 HA ARG 81 -3.229 0.163 -5.927 609 HB2 ARG 81 1HB ARG 81 -3.337 -0.777 -3.453 610 HB3 ARG 81 2HB ARG 81 -2.511 0.732 -3.086 611 HG2 ARG 81 1HG ARG 81 -4.673 1.390 -2.825 612 HG3 ARG 81 2HG ARG 81 -4.455 1.755 -4.538 613 HD2 ARG 81 1HD ARG 81 -5.461 -0.400 -5.120 614 HD3 ARG 81 2HD ARG 81 -5.678 -0.760 -3.409 615 HE ARG 81 HE ARG 81 -6.920 1.692 -4.284 616 HH11 ARG 81 1HH1 ARG 81 -7.292 -1.742 -3.844 617 HH12 ARG 81 2HH1 ARG 81 -9.022 -1.676 -3.762 618 HH21 ARG 81 1HH2 ARG 81 -9.196 1.791 -4.178 619 HH22 ARG 81 2HH2 ARG 81 -10.103 0.335 -3.955 620 H VAL 82 H VAL 82 -0.109 0.593 -4.344 621 HA VAL 82 HA VAL 82 -0.005 3.417 -4.619 622 HB VAL 82 HB VAL 82 2.242 1.424 -4.298 623 HG11 VAL 82 1HG1 VAL 82 2.766 4.085 -3.313 624 HG12 VAL 82 2HG1 VAL 82 3.712 3.090 -4.422 625 HG13 VAL 82 3HG1 VAL 82 2.407 4.105 -5.038 626 HG21 VAL 82 1HG2 VAL 82 0.922 3.184 -2.236 627 HG22 VAL 82 2HG2 VAL 82 0.559 1.473 -2.469 628 HG23 VAL 82 3HG2 VAL 82 2.172 1.971 -1.957 629 H LYS 83 H LYS 83 1.664 0.828 -6.420 630 HA LYS 83 HA LYS 83 2.904 2.371 -8.337 631 HB2 LYS 83 1HB LYS 83 1.663 -0.355 -8.756 632 HB3 LYS 83 2HB LYS 83 2.914 0.374 -9.754 633 HG2 LYS 83 1HG LYS 83 4.556 0.012 -8.210 634 HG3 LYS 83 2HG LYS 83 3.437 0.059 -6.845 635 HD2 LYS 83 1HD LYS 83 4.206 -2.196 -7.115 636 HD3 LYS 83 2HD LYS 83 2.514 -2.124 -7.611 637 HE2 LYS 83 1HE LYS 83 4.605 -1.724 -9.686 638 HE3 LYS 83 2HE LYS 83 4.353 -3.356 -9.068 639 HZ1 LYS 83 1HZ LYS 83 2.823 -1.954 -10.953 640 HZ2 LYS 83 2HZ LYS 83 1.849 -2.241 -9.600 641 HZ3 LYS 83 3HZ LYS 83 2.604 -3.533 -10.388 642 H GLU 84 H GLU 84 -0.444 1.334 -8.173 643 HA GLU 84 HA GLU 84 -1.067 2.296 -10.822 644 HB2 GLU 84 1HB GLU 84 -2.564 0.975 -8.615 645 HB3 GLU 84 2HB GLU 84 -3.490 1.926 -9.768 646 HG2 GLU 84 1HG GLU 84 -3.558 -0.225 -10.632 647 HG3 GLU 84 2HG GLU 84 -2.294 0.567 -11.572 648 H LEU 85 H LEU 85 -1.582 3.355 -7.489 649 HA LEU 85 HA LEU 85 -3.200 5.582 -8.049 650 HB2 LEU 85 1HB LEU 85 -1.416 4.807 -5.783 651 HB3 LEU 85 2HB LEU 85 -2.116 6.423 -5.829 652 HG LEU 85 HG LEU 85 -3.862 3.995 -6.039 653 HD11 LEU 85 1HD1 LEU 85 -3.986 4.855 -3.401 654 HD12 LEU 85 2HD1 LEU 85 -2.262 4.768 -3.761 655 HD13 LEU 85 3HD1 LEU 85 -3.283 3.350 -3.994 656 HD21 LEU 85 1HD2 LEU 85 -5.559 5.456 -5.251 657 HD22 LEU 85 2HD2 LEU 85 -4.695 6.317 -6.525 658 HD23 LEU 85 3HD2 LEU 85 -4.385 6.704 -4.832 659 H GLN 86 H GLN 86 0.305 5.455 -7.392 660 HA GLN 86 HA GLN 86 0.893 8.120 -7.837 661 HB2 GLN 86 1HB GLN 86 3.180 7.433 -8.201 662 HB3 GLN 86 2HB GLN 86 2.478 6.444 -6.928 663 HG2 GLN 86 1HG GLN 86 2.129 4.631 -8.527 664 HG3 GLN 86 2HG GLN 86 2.843 5.622 -9.800 665 HE21 GLN 86 1HE2 GLN 86 3.590 4.481 -6.523 666 HE22 GLN 86 2HE2 GLN 86 5.252 4.130 -6.839 667 H ALA 87 H ALA 87 0.751 5.464 -10.180 668 HA ALA 87 HA ALA 87 1.655 6.778 -12.440 669 HB1 ALA 87 1HB ALA 87 -0.168 4.484 -11.961 670 HB2 ALA 87 2HB ALA 87 -0.121 5.180 -13.582 671 HB3 ALA 87 3HB ALA 87 1.356 4.557 -12.848 672 H GLU 88 H GLU 88 -1.292 7.210 -10.705 673 HA GLU 88 HA GLU 88 -2.599 8.592 -12.909 674 HB2 GLU 88 1HB GLU 88 -3.495 8.084 -10.067 675 HB3 GLU 88 2HB GLU 88 -4.469 8.872 -11.300 676 HG2 GLU 88 1HG GLU 88 -3.377 6.093 -11.614 677 HG3 GLU 88 2HG GLU 88 -4.946 6.436 -10.887 678 H GLN 89 H GLN 89 -2.150 9.473 -9.484 679 HA GLN 89 HA GLN 89 -2.461 12.192 -9.751 680 HB2 GLN 89 1HB GLN 89 -1.278 12.426 -7.645 681 HB3 GLN 89 2HB GLN 89 -2.313 11.006 -7.591 682 HG2 GLN 89 1HG GLN 89 -0.522 9.537 -7.687 683 HG3 GLN 89 2HG GLN 89 0.570 10.758 -8.339 684 HE21 GLN 89 1HE2 GLN 89 2.036 10.097 -6.672 685 HE22 GLN 89 2HE2 GLN 89 1.855 10.712 -5.068 686 H GLU 90 H GLU 90 0.119 10.263 -10.872 687 HA GLU 90 HA GLU 90 2.008 12.471 -11.008 688 HB2 GLU 90 1HB GLU 90 2.689 10.093 -10.481 689 HB3 GLU 90 2HB GLU 90 2.323 9.697 -12.154 690 HG2 GLU 90 1HG GLU 90 3.957 11.666 -12.671 691 HG3 GLU 90 2HG GLU 90 4.536 11.346 -11.037 692 H ASP 91 H ASP 91 0.124 10.427 -13.202 693 HA ASP 91 HA ASP 91 0.992 11.177 -15.657 694 HB2 ASP 91 1HB ASP 91 -0.856 9.603 -15.306 695 HB3 ASP 91 2HB ASP 91 -1.904 10.932 -14.816 696 H ARG 92 H ARG 92 -1.423 12.975 -13.749 697 HA ARG 92 HA ARG 92 -1.779 15.095 -15.526 698 HB2 ARG 92 1HB ARG 92 -2.621 16.355 -13.587 699 HB3 ARG 92 2HB ARG 92 -3.266 14.719 -13.634 700 HG2 ARG 92 1HG ARG 92 -1.877 14.015 -11.862 701 HG3 ARG 92 2HG ARG 92 -0.888 15.473 -11.962 702 HD2 ARG 92 1HD ARG 92 -3.820 15.577 -11.319 703 HD3 ARG 92 2HD ARG 92 -2.601 15.331 -10.070 704 HE ARG 92 HE ARG 92 -1.751 17.546 -11.409 705 HH11 ARG 92 1HH1 ARG 92 -4.709 16.632 -9.817 706 HH12 ARG 92 2HH1 ARG 92 -5.120 18.252 -9.364 707 HH21 ARG 92 1HH2 ARG 92 -2.281 19.685 -10.819 708 HH22 ARG 92 2HH2 ARG 92 -3.738 19.988 -9.935 709 H ALA 93 H ALA 93 0.762 14.451 -13.230 710 HA ALA 93 HA ALA 93 1.857 17.109 -13.304 711 HB1 ALA 93 1HB ALA 93 2.322 16.012 -11.312 712 HB2 ALA 93 2HB ALA 93 2.745 14.505 -12.124 713 HB3 ALA 93 3HB ALA 93 3.842 15.883 -12.198 714 H LEU 94 H LEU 94 2.686 13.974 -14.746 715 HA LEU 94 HA LEU 94 5.062 14.582 -15.980 716 HB2 LEU 94 1HB LEU 94 4.351 12.368 -16.123 717 HB3 LEU 94 2HB LEU 94 2.778 12.818 -16.777 718 HG LEU 94 HG LEU 94 4.138 13.590 -18.847 719 HD11 LEU 94 1HD1 LEU 94 6.327 13.258 -18.820 720 HD12 LEU 94 2HD1 LEU 94 6.064 11.529 -18.599 721 HD13 LEU 94 3HD1 LEU 94 6.216 12.583 -17.194 722 HD21 LEU 94 1HD2 LEU 94 4.188 10.636 -18.584 723 HD22 LEU 94 2HD2 LEU 94 3.530 11.651 -19.869 724 HD23 LEU 94 3HD2 LEU 94 2.640 11.451 -18.360 725 H ARG 95 H ARG 95 1.822 14.941 -17.429 726 HA ARG 95 HA ARG 95 2.677 16.182 -19.792 727 HB2 ARG 95 1HB ARG 95 0.069 16.089 -18.316 728 HB3 ARG 95 2HB ARG 95 0.246 17.132 -19.722 729 HG2 ARG 95 1HG ARG 95 0.734 15.263 -21.131 730 HG3 ARG 95 2HG ARG 95 0.805 14.175 -19.742 731 HD2 ARG 95 1HD ARG 95 -1.559 14.545 -19.310 732 HD3 ARG 95 2HD ARG 95 -1.641 15.693 -20.645 733 HE ARG 95 HE ARG 95 -0.689 13.185 -21.549 734 HH11 ARG 95 1HH1 ARG 95 -3.590 14.809 -20.515 735 HH12 ARG 95 2HH1 ARG 95 -4.644 13.797 -21.447 736 HH21 ARG 95 1HH2 ARG 95 -2.066 11.847 -22.780 737 HH22 ARG 95 2HH2 ARG 95 -3.776 12.112 -22.734 738 H SER 96 H SER 96 3.011 18.278 -20.376 739 HA SER 96 HA SER 96 2.751 20.328 -18.279 740 HB2 SER 96 1HB SER 96 5.084 19.988 -20.178 741 HB3 SER 96 2HB SER 96 4.877 21.326 -19.050 742 HG SER 96 HG SER 96 5.129 18.580 -18.369 743 H PHE 97 H PHE 97 1.323 21.780 -18.936 744 HA PHE 97 HA PHE 97 1.371 22.623 -21.757 745 HB2 PHE 97 1HB PHE 97 -1.107 22.367 -20.041 746 HB3 PHE 97 2HB PHE 97 -1.049 22.850 -21.733 747 HD1 PHE 97 1HD PHE 97 0.480 21.002 -23.134 748 HD2 PHE 97 2HD PHE 97 -1.978 20.279 -19.735 749 HE1 PHE 97 1HE PHE 97 0.239 18.649 -23.812 750 HE2 PHE 97 2HE PHE 97 -2.223 17.926 -20.407 751 HZ PHE 97 HZ PHE 97 -1.112 17.107 -22.448 752 H LYS 98 H LYS 98 -0.098 24.741 -21.894 753 HA LYS 98 HA LYS 98 1.293 26.697 -20.325 754 HB2 LYS 98 1HB LYS 98 -0.755 26.791 -22.510 755 HB3 LYS 98 2HB LYS 98 -0.415 28.242 -21.575 756 HG2 LYS 98 1HG LYS 98 0.951 28.386 -23.473 757 HG3 LYS 98 2HG LYS 98 2.023 27.877 -22.166 758 HD2 LYS 98 1HD LYS 98 2.624 26.466 -23.912 759 HD3 LYS 98 2HD LYS 98 1.493 25.480 -22.982 760 HE2 LYS 98 1HE LYS 98 0.959 25.256 -25.307 761 HE3 LYS 98 2HE LYS 98 -0.313 26.199 -24.533 762 HZ1 LYS 98 1HZ LYS 98 1.463 26.938 -26.645 763 HZ2 LYS 98 2HZ LYS 98 1.496 28.061 -25.381 764 HZ3 LYS 98 3HZ LYS 98 0.030 27.680 -26.136 765 H SER 99 H SER 99 -2.135 25.780 -20.654 766 HA SER 99 HA SER 99 -2.558 26.691 -17.894 767 HB2 SER 99 1HB SER 99 -3.428 28.507 -19.164 768 HB3 SER 99 2HB SER 99 -4.209 27.421 -20.314 769 HG SER 99 HG SER 99 -4.947 28.040 -17.668 770 H GLY 100 H GLY 100 -4.265 25.650 -16.778 771 HA2 GLY 100 1HA GLY 100 -6.206 23.999 -17.359 772 HA3 GLY 100 2HA GLY 100 -4.859 22.992 -17.869 773 HA PRO 101 HA PRO 101 -4.672 23.564 -13.038 774 HB2 PRO 101 1HB PRO 101 -7.056 24.185 -11.899 775 HB3 PRO 101 2HB PRO 101 -5.882 25.409 -12.397 776 HG2 PRO 101 1HG PRO 101 -8.338 24.454 -13.815 777 HG3 PRO 101 2HG PRO 101 -7.737 26.109 -13.611 778 HD2 PRO 101 1HD PRO 101 -7.381 24.700 -15.897 779 HD3 PRO 101 2HD PRO 101 -6.202 25.895 -15.318 780 H SER 102 H SER 102 -7.858 22.567 -14.290 781 HA SER 102 HA SER 102 -7.359 19.864 -13.306 782 HB2 SER 102 1HB SER 102 -9.587 19.725 -12.259 783 HB3 SER 102 2HB SER 102 -8.590 20.957 -11.486 784 HG SER 102 HG SER 102 -10.205 21.773 -13.601 785 H SER 103 H SER 103 -9.248 18.393 -14.029 786 HA SER 103 HA SER 103 -9.770 19.018 -16.845 787 HB2 SER 103 1HB SER 103 -8.600 16.927 -16.490 788 HB3 SER 103 2HB SER 103 -9.827 16.392 -15.341 789 HG SER 103 HG SER 103 -10.196 15.473 -17.375 790 H GLY 104 H GLY 104 -11.694 19.868 -17.271 791 HA2 GLY 104 1HA GLY 104 -14.111 18.562 -16.585 792 HA3 GLY 104 2HA GLY 104 -13.877 19.960 -15.546 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.020 -49.462 -11.151 2 HA2 GLY 1 1HA GLY 1 5.648 -49.035 -8.981 3 HA3 GLY 1 2HA GLY 1 6.744 -49.093 -10.352 4 H SER 2 H SER 2 5.267 -47.007 -8.410 5 HA SER 2 HA SER 2 5.610 -44.803 -10.179 6 HB2 SER 2 1HB SER 2 3.457 -45.464 -11.056 7 HB3 SER 2 2HB SER 2 2.782 -45.580 -9.431 8 HG SER 2 HG SER 2 2.314 -43.594 -10.632 9 H SER 3 H SER 3 5.221 -42.736 -9.118 10 HA SER 3 HA SER 3 4.445 -42.528 -6.412 11 HB2 SER 3 1HB SER 3 6.665 -42.056 -5.409 12 HB3 SER 3 2HB SER 3 6.522 -43.725 -5.961 13 HG SER 3 HG SER 3 8.380 -42.010 -6.612 14 H GLY 4 H GLY 4 5.170 -40.342 -5.475 15 HA2 GLY 4 1HA GLY 4 6.151 -38.298 -7.137 16 HA3 GLY 4 2HA GLY 4 4.397 -38.311 -7.250 17 H SER 5 H SER 5 7.083 -37.277 -5.464 18 HA SER 5 HA SER 5 5.343 -36.455 -3.231 19 HB2 SER 5 1HB SER 5 8.295 -37.092 -3.292 20 HB3 SER 5 2HB SER 5 7.537 -36.236 -1.950 21 HG SER 5 HG SER 5 6.893 -38.094 -1.242 22 H SER 6 H SER 6 5.253 -34.337 -2.662 23 HA SER 6 HA SER 6 7.082 -32.438 -3.923 24 HB2 SER 6 1HB SER 6 5.234 -31.011 -4.691 25 HB3 SER 6 2HB SER 6 5.166 -32.596 -5.460 26 HG SER 6 HG SER 6 3.711 -33.009 -3.468 27 H GLY 7 H GLY 7 6.777 -30.203 -3.028 28 HA2 GLY 7 1HA GLY 7 5.338 -29.840 -0.592 29 HA3 GLY 7 2HA GLY 7 7.037 -30.161 -0.280 30 H LYS 8 H LYS 8 5.102 -28.156 -2.508 31 HA LYS 8 HA LYS 8 7.002 -26.188 -2.960 32 HB2 LYS 8 1HB LYS 8 4.036 -26.317 -3.128 33 HB3 LYS 8 2HB LYS 8 4.777 -24.723 -3.170 34 HG2 LYS 8 1HG LYS 8 5.791 -25.092 -5.189 35 HG3 LYS 8 2HG LYS 8 5.839 -26.843 -4.967 36 HD2 LYS 8 1HD LYS 8 3.230 -26.620 -5.068 37 HD3 LYS 8 2HD LYS 8 3.595 -25.102 -5.892 38 HE2 LYS 8 1HE LYS 8 3.488 -26.531 -7.679 39 HE3 LYS 8 2HE LYS 8 5.207 -26.625 -7.298 40 HZ1 LYS 8 1HZ LYS 8 3.092 -28.583 -6.609 41 HZ2 LYS 8 2HZ LYS 8 4.636 -28.622 -5.919 42 HZ3 LYS 8 3HZ LYS 8 4.450 -28.825 -7.588 43 H GLU 9 H GLU 9 4.195 -25.800 -0.790 44 HA GLU 9 HA GLU 9 5.923 -24.361 1.092 45 HB2 GLU 9 1HB GLU 9 3.533 -23.311 -0.333 46 HB3 GLU 9 2HB GLU 9 3.722 -22.871 1.359 47 HG2 GLU 9 1HG GLU 9 5.829 -21.843 0.935 48 HG3 GLU 9 2HG GLU 9 5.857 -22.459 -0.716 49 H ALA 10 H ALA 10 5.307 -24.488 3.247 50 HA ALA 10 HA ALA 10 2.839 -25.569 4.126 51 HB1 ALA 10 1HB ALA 10 4.035 -27.589 3.131 52 HB2 ALA 10 2HB ALA 10 5.131 -27.469 4.507 53 HB3 ALA 10 3HB ALA 10 3.411 -27.748 4.773 54 H LEU 11 H LEU 11 2.658 -24.237 5.818 55 HA LEU 11 HA LEU 11 4.582 -24.468 7.980 56 HB2 LEU 11 1HB LEU 11 5.599 -22.649 6.938 57 HB3 LEU 11 2HB LEU 11 4.056 -21.939 6.466 58 HG LEU 11 HG LEU 11 3.657 -21.439 8.896 59 HD11 LEU 11 1HD1 LEU 11 6.311 -22.724 9.064 60 HD12 LEU 11 2HD1 LEU 11 4.996 -22.671 10.237 61 HD13 LEU 11 3HD1 LEU 11 6.065 -21.281 10.048 62 HD21 LEU 11 1HD2 LEU 11 5.488 -20.168 7.042 63 HD22 LEU 11 2HD2 LEU 11 5.873 -19.789 8.721 64 HD23 LEU 11 3HD2 LEU 11 4.260 -19.454 8.087 65 H GLU 12 H GLU 12 3.709 -24.087 9.987 66 HA GLU 12 HA GLU 12 0.839 -23.416 10.032 67 HB2 GLU 12 1HB GLU 12 0.714 -24.842 12.081 68 HB3 GLU 12 2HB GLU 12 1.101 -25.727 10.613 69 HG2 GLU 12 1HG GLU 12 3.531 -25.525 11.300 70 HG3 GLU 12 2HG GLU 12 2.934 -24.981 12.867 71 H ALA 13 H ALA 13 0.584 -21.429 10.805 72 HA ALA 13 HA ALA 13 2.138 -20.648 13.182 73 HB1 ALA 13 1HB ALA 13 2.799 -18.702 12.281 74 HB2 ALA 13 2HB ALA 13 2.486 -19.507 10.744 75 HB3 ALA 13 3HB ALA 13 1.264 -18.448 11.449 76 H LEU 14 H LEU 14 0.892 -20.251 14.881 77 HA LEU 14 HA LEU 14 -1.970 -19.907 14.528 78 HB2 LEU 14 1HB LEU 14 -2.145 -20.248 16.886 79 HB3 LEU 14 2HB LEU 14 -1.045 -21.456 16.223 80 HG LEU 14 HG LEU 14 0.781 -19.706 16.991 81 HD11 LEU 14 1HD1 LEU 14 0.218 -18.237 18.618 82 HD12 LEU 14 2HD1 LEU 14 -1.083 -19.250 19.242 83 HD13 LEU 14 3HD1 LEU 14 -1.335 -18.287 17.787 84 HD21 LEU 14 1HD2 LEU 14 -0.372 -22.072 18.063 85 HD22 LEU 14 2HD2 LEU 14 0.010 -20.988 19.402 86 HD23 LEU 14 3HD2 LEU 14 1.270 -21.458 18.260 87 H VAL 15 H VAL 15 0.796 -18.107 15.787 88 HA VAL 15 HA VAL 15 -0.908 -15.789 16.314 89 HB VAL 15 HB VAL 15 0.714 -16.384 18.044 90 HG11 VAL 15 1HG1 VAL 15 2.393 -17.368 16.491 91 HG12 VAL 15 2HG1 VAL 15 2.859 -15.730 16.028 92 HG13 VAL 15 3HG1 VAL 15 3.083 -16.276 17.692 93 HG21 VAL 15 1HG2 VAL 15 0.164 -14.098 18.022 94 HG22 VAL 15 2HG2 VAL 15 1.924 -14.142 18.127 95 HG23 VAL 15 3HG2 VAL 15 1.141 -13.790 16.586 96 HA PRO 16 HA PRO 16 0.148 -13.888 12.472 97 HB2 PRO 16 1HB PRO 16 -0.556 -11.344 13.102 98 HB3 PRO 16 2HB PRO 16 -1.740 -12.612 12.769 99 HG2 PRO 16 1HG PRO 16 -0.776 -11.565 15.402 100 HG3 PRO 16 2HG PRO 16 -2.428 -11.964 14.893 101 HD2 PRO 16 1HD PRO 16 -0.930 -13.628 16.417 102 HD3 PRO 16 2HD PRO 16 -2.125 -14.221 15.246 103 H VAL 17 H VAL 17 1.302 -11.757 11.772 104 HA VAL 17 HA VAL 17 3.472 -11.016 13.579 105 HB VAL 17 HB VAL 17 5.117 -11.318 11.652 106 HG11 VAL 17 1HG1 VAL 17 4.880 -12.750 13.742 107 HG12 VAL 17 2HG1 VAL 17 4.029 -13.908 12.717 108 HG13 VAL 17 3HG1 VAL 17 5.704 -13.481 12.364 109 HG21 VAL 17 1HG2 VAL 17 4.278 -13.430 10.278 110 HG22 VAL 17 2HG2 VAL 17 2.711 -12.674 10.567 111 HG23 VAL 17 3HG2 VAL 17 3.982 -11.780 9.732 112 H THR 18 H THR 18 4.646 -9.124 12.881 113 HA THR 18 HA THR 18 2.978 -7.372 11.221 114 HB THR 18 HB THR 18 5.215 -6.571 13.088 115 HG1 THR 18 1HG THR 18 2.466 -7.012 13.503 116 HG21 THR 18 1HG2 THR 18 2.962 -4.878 12.031 117 HG22 THR 18 2HG2 THR 18 4.514 -5.011 11.205 118 HG23 THR 18 3HG2 THR 18 4.438 -4.353 12.840 119 H ILE 19 H ILE 19 3.650 -6.672 9.295 120 HA ILE 19 HA ILE 19 6.452 -7.178 8.544 121 HB ILE 19 HB ILE 19 5.633 -7.163 6.188 122 HG12 ILE 19 1HG1 ILE 19 2.872 -7.407 7.380 123 HG13 ILE 19 2HG1 ILE 19 3.517 -5.875 6.801 124 HG21 ILE 19 1HG2 ILE 19 5.211 -9.400 6.221 125 HG22 ILE 19 2HG2 ILE 19 5.793 -9.204 7.873 126 HG23 ILE 19 3HG2 ILE 19 4.061 -9.277 7.552 127 HD11 ILE 19 1HD1 ILE 19 3.415 -6.506 4.608 128 HD12 ILE 19 2HD1 ILE 19 3.558 -8.224 4.981 129 HD13 ILE 19 3HD1 ILE 19 2.034 -7.383 5.268 130 H GLU 20 H GLU 20 6.836 -5.701 6.386 131 HA GLU 20 HA GLU 20 6.005 -2.958 6.989 132 HB2 GLU 20 1HB GLU 20 8.775 -4.038 7.051 133 HB3 GLU 20 2HB GLU 20 8.546 -2.446 6.342 134 HG2 GLU 20 1HG GLU 20 7.486 -1.679 8.404 135 HG3 GLU 20 2HG GLU 20 7.720 -3.275 9.115 136 H VAL 21 H VAL 21 5.477 -1.836 5.223 137 HA VAL 21 HA VAL 21 6.341 -2.889 2.607 138 HB VAL 21 HB VAL 21 3.786 -1.359 3.012 139 HG11 VAL 21 1HG1 VAL 21 4.640 -3.334 0.898 140 HG12 VAL 21 2HG1 VAL 21 3.152 -2.384 0.914 141 HG13 VAL 21 3HG1 VAL 21 4.712 -1.579 0.734 142 HG21 VAL 21 1HG2 VAL 21 4.379 -4.143 3.735 143 HG22 VAL 21 2HG2 VAL 21 3.078 -3.081 4.276 144 HG23 VAL 21 3HG2 VAL 21 2.945 -3.922 2.732 145 H GLU 22 H GLU 22 6.792 -1.391 0.960 146 HA GLU 22 HA GLU 22 7.670 1.201 1.956 147 HB2 GLU 22 1HB GLU 22 8.208 -0.372 -0.548 148 HB3 GLU 22 2HB GLU 22 8.628 1.332 -0.445 149 HG2 GLU 22 1HG GLU 22 10.231 0.971 1.192 150 HG3 GLU 22 2HG GLU 22 9.561 -0.597 1.639 151 H VAL 23 H VAL 23 6.166 2.743 1.966 152 HA VAL 23 HA VAL 23 4.794 3.366 -0.528 153 HB VAL 23 HB VAL 23 3.306 2.928 2.065 154 HG11 VAL 23 1HG1 VAL 23 1.793 3.506 -0.381 155 HG12 VAL 23 2HG1 VAL 23 1.545 4.075 1.270 156 HG13 VAL 23 3HG1 VAL 23 2.741 4.857 0.236 157 HG21 VAL 23 1HG2 VAL 23 3.544 1.401 -0.479 158 HG22 VAL 23 2HG2 VAL 23 3.453 0.818 1.182 159 HG23 VAL 23 3HG2 VAL 23 1.999 1.395 0.370 160 HA PRO 24 HA PRO 24 5.964 7.415 0.820 161 HB2 PRO 24 1HB PRO 24 4.603 8.812 -1.068 162 HB3 PRO 24 2HB PRO 24 6.103 7.940 -1.412 163 HG2 PRO 24 1HG PRO 24 3.271 7.111 -1.917 164 HG3 PRO 24 2HG PRO 24 4.689 6.946 -2.968 165 HD2 PRO 24 1HD PRO 24 3.717 4.890 -1.498 166 HD3 PRO 24 2HD PRO 24 5.446 5.070 -1.863 167 H PHE 25 H PHE 25 5.156 8.773 2.303 168 HA PHE 25 HA PHE 25 2.614 8.427 3.421 169 HB2 PHE 25 1HB PHE 25 4.673 9.461 4.506 170 HB3 PHE 25 2HB PHE 25 4.256 10.947 3.658 171 HD1 PHE 25 1HD PHE 25 1.925 11.920 4.074 172 HD2 PHE 25 2HD PHE 25 3.724 8.975 6.566 173 HE1 PHE 25 1HE PHE 25 0.392 12.532 5.898 174 HE2 PHE 25 2HE PHE 25 2.192 9.581 8.393 175 HZ PHE 25 HZ PHE 25 0.523 11.361 8.060 176 H ASP 26 H ASP 26 3.618 10.201 0.680 177 HA ASP 26 HA ASP 26 1.603 12.197 0.660 178 HB2 ASP 26 1HB ASP 26 3.304 11.008 -1.532 179 HB3 ASP 26 2HB ASP 26 2.167 12.325 -1.808 180 H LEU 27 H LEU 27 1.456 8.868 0.223 181 HA LEU 27 HA LEU 27 -0.981 9.042 -1.409 182 HB2 LEU 27 1HB LEU 27 0.847 6.736 -0.777 183 HB3 LEU 27 2HB LEU 27 -0.695 6.554 -1.611 184 HG LEU 27 HG LEU 27 1.599 8.219 -2.640 185 HD11 LEU 27 1HD1 LEU 27 0.772 5.554 -3.725 186 HD12 LEU 27 2HD1 LEU 27 1.965 5.683 -2.434 187 HD13 LEU 27 3HD1 LEU 27 2.266 6.451 -3.993 188 HD21 LEU 27 1HD2 LEU 27 0.253 7.861 -4.793 189 HD22 LEU 27 2HD2 LEU 27 -0.358 9.027 -3.620 190 HD23 LEU 27 3HD2 LEU 27 -1.081 7.421 -3.726 191 H HIS 28 H HIS 28 0.269 8.083 1.700 192 HA HIS 28 HA HIS 28 -1.595 6.451 2.778 193 HB2 HIS 28 1HB HIS 28 -0.294 8.872 4.025 194 HB3 HIS 28 2HB HIS 28 -1.266 7.729 4.947 195 HD2 HIS 28 2HD HIS 28 0.581 5.525 2.647 196 HE1 HIS 28 1HE HIS 28 3.251 6.115 5.890 197 HE2 HIS 28 2HE HIS 28 2.778 4.795 3.798 198 H ARG 29 H ARG 29 -1.921 9.994 2.595 199 HA ARG 29 HA ARG 29 -4.379 10.312 3.769 200 HB2 ARG 29 1HB ARG 29 -4.631 12.341 2.443 201 HB3 ARG 29 2HB ARG 29 -2.972 12.177 3.004 202 HG2 ARG 29 1HG ARG 29 -2.664 11.021 0.650 203 HG3 ARG 29 2HG ARG 29 -4.075 12.003 0.255 204 HD2 ARG 29 1HD ARG 29 -1.795 13.286 1.675 205 HD3 ARG 29 2HD ARG 29 -1.624 12.930 -0.043 206 HE ARG 29 HE ARG 29 -4.068 14.281 0.513 207 HH11 ARG 29 1HH1 ARG 29 -0.643 14.761 0.104 208 HH12 ARG 29 2HH1 ARG 29 -0.804 16.409 -0.406 209 HH21 ARG 29 1HH2 ARG 29 -4.292 16.449 -0.159 210 HH22 ARG 29 2HH2 ARG 29 -2.879 17.369 -0.555 211 H TYR 30 H TYR 30 -3.659 9.237 0.494 212 HA TYR 30 HA TYR 30 -6.442 9.168 -0.272 213 HB2 TYR 30 1HB TYR 30 -4.026 8.036 -1.698 214 HB3 TYR 30 2HB TYR 30 -5.629 8.260 -2.388 215 HD1 TYR 30 2HD TYR 30 -6.372 10.932 -1.520 216 HD2 TYR 30 1HD TYR 30 -2.594 9.471 -2.822 217 HE1 TYR 30 2HE TYR 30 -5.750 13.200 -2.240 218 HE2 TYR 30 1HE TYR 30 -1.961 11.734 -3.545 219 HH TYR 30 HH TYR 30 -3.692 14.501 -2.649 220 H VAL 31 H VAL 31 -3.950 6.866 0.688 221 HA VAL 31 HA VAL 31 -5.324 4.492 0.131 222 HB VAL 31 HB VAL 31 -3.323 5.031 2.331 223 HG11 VAL 31 1HG1 VAL 31 -2.988 2.669 2.464 224 HG12 VAL 31 2HG1 VAL 31 -4.716 2.979 2.644 225 HG13 VAL 31 3HG1 VAL 31 -4.080 2.383 1.110 226 HG21 VAL 31 1HG2 VAL 31 -2.513 5.528 0.055 227 HG22 VAL 31 2HG2 VAL 31 -1.669 4.166 0.790 228 HG23 VAL 31 3HG2 VAL 31 -2.913 3.880 -0.427 229 H ILE 32 H ILE 32 -5.036 6.200 3.252 230 HA ILE 32 HA ILE 32 -6.850 4.573 4.645 231 HB ILE 32 HB ILE 32 -6.255 7.480 5.204 232 HG12 ILE 32 1HG1 ILE 32 -4.846 5.169 6.502 233 HG13 ILE 32 2HG1 ILE 32 -4.282 5.791 4.955 234 HG21 ILE 32 1HG2 ILE 32 -6.612 5.867 7.528 235 HG22 ILE 32 2HG2 ILE 32 -7.556 7.253 6.985 236 HG23 ILE 32 3HG2 ILE 32 -7.984 5.629 6.447 237 HD11 ILE 32 1HD1 ILE 32 -3.190 6.682 7.077 238 HD12 ILE 32 2HD1 ILE 32 -3.708 7.857 5.868 239 HD13 ILE 32 3HD1 ILE 32 -4.683 7.592 7.313 240 H GLY 33 H GLY 33 -7.373 7.884 3.402 241 HA2 GLY 33 1HA GLY 33 -9.305 8.470 2.109 242 HA3 GLY 33 2HA GLY 33 -10.170 7.142 2.869 243 H GLN 34 H GLN 34 -11.144 9.788 2.672 244 HA GLN 34 HA GLN 34 -10.753 11.457 4.822 245 HB2 GLN 34 1HB GLN 34 -12.189 12.029 2.927 246 HB3 GLN 34 2HB GLN 34 -13.365 10.826 3.439 247 HG2 GLN 34 1HG GLN 34 -13.501 12.146 5.620 248 HG3 GLN 34 2HG GLN 34 -12.658 13.426 4.748 249 HE21 GLN 34 1HE2 GLN 34 -15.508 12.874 5.834 250 HE22 GLN 34 2HE2 GLN 34 -16.520 13.415 4.542 251 H LYS 35 H LYS 35 -13.034 8.736 4.613 252 HA LYS 35 HA LYS 35 -13.567 8.954 7.476 253 HB2 LYS 35 1HB LYS 35 -14.818 7.355 5.251 254 HB3 LYS 35 2HB LYS 35 -15.193 7.044 6.940 255 HG2 LYS 35 1HG LYS 35 -16.896 8.457 6.322 256 HG3 LYS 35 2HG LYS 35 -15.728 9.583 7.020 257 HD2 LYS 35 1HD LYS 35 -16.287 10.656 5.056 258 HD3 LYS 35 2HD LYS 35 -14.853 9.751 4.566 259 HE2 LYS 35 1HE LYS 35 -16.437 7.923 3.812 260 HE3 LYS 35 2HE LYS 35 -17.741 9.087 4.041 261 HZ1 LYS 35 1HZ LYS 35 -15.497 9.210 2.118 262 HZ2 LYS 35 2HZ LYS 35 -16.412 10.578 2.509 263 HZ3 LYS 35 3HZ LYS 35 -17.158 9.238 1.797 264 H GLY 36 H GLY 36 -12.407 6.550 5.124 265 HA2 GLY 36 1HA GLY 36 -10.351 5.344 5.896 266 HA3 GLY 36 2HA GLY 36 -11.230 5.063 7.392 267 H SER 37 H SER 37 -12.663 4.894 4.190 268 HA SER 37 HA SER 37 -13.492 2.167 4.723 269 HB2 SER 37 1HB SER 37 -14.903 2.403 2.766 270 HB3 SER 37 2HB SER 37 -15.065 3.849 3.762 271 HG SER 37 HG SER 37 -13.708 4.938 2.346 272 H GLY 38 H GLY 38 -11.592 3.901 2.270 273 HA2 GLY 38 1HA GLY 38 -10.946 2.080 0.432 274 HA3 GLY 38 2HA GLY 38 -9.715 3.119 1.135 275 H ILE 39 H ILE 39 -8.816 2.295 3.275 276 HA ILE 39 HA ILE 39 -7.601 -0.191 2.859 277 HB ILE 39 HB ILE 39 -7.915 1.289 5.475 278 HG12 ILE 39 1HG1 ILE 39 -5.701 1.385 3.414 279 HG13 ILE 39 2HG1 ILE 39 -6.876 2.660 3.713 280 HG21 ILE 39 1HG2 ILE 39 -5.804 0.064 6.055 281 HG22 ILE 39 2HG2 ILE 39 -7.243 -0.947 5.928 282 HG23 ILE 39 3HG2 ILE 39 -6.063 -0.924 4.618 283 HD11 ILE 39 1HD1 ILE 39 -5.036 3.404 4.869 284 HD12 ILE 39 2HD1 ILE 39 -5.951 2.582 6.134 285 HD13 ILE 39 3HD1 ILE 39 -4.570 1.783 5.382 286 H ARG 40 H ARG 40 -10.227 0.714 5.087 287 HA ARG 40 HA ARG 40 -10.729 -1.499 6.489 288 HB2 ARG 40 1HB ARG 40 -12.175 0.681 6.052 289 HB3 ARG 40 2HB ARG 40 -13.086 -0.413 5.021 290 HG2 ARG 40 1HG ARG 40 -14.114 -0.341 7.180 291 HG3 ARG 40 2HG ARG 40 -13.373 -1.928 6.956 292 HD2 ARG 40 1HD ARG 40 -11.740 0.187 8.246 293 HD3 ARG 40 2HD ARG 40 -13.061 -0.508 9.184 294 HE ARG 40 HE ARG 40 -11.396 -2.491 7.961 295 HH11 ARG 40 1HH1 ARG 40 -11.732 -0.364 10.697 296 HH12 ARG 40 2HH1 ARG 40 -10.751 -1.338 11.741 297 HH21 ARG 40 1HH2 ARG 40 -10.102 -3.783 9.326 298 HH22 ARG 40 2HH2 ARG 40 -9.824 -3.282 10.960 299 H LYS 41 H LYS 41 -11.712 -1.096 3.096 300 HA LYS 41 HA LYS 41 -13.004 -3.499 2.693 301 HB2 LYS 41 1HB LYS 41 -13.004 -1.815 0.980 302 HB3 LYS 41 2HB LYS 41 -11.255 -1.909 0.812 303 HG2 LYS 41 1HG LYS 41 -11.385 -4.064 -0.182 304 HG3 LYS 41 2HG LYS 41 -13.102 -4.204 0.203 305 HD2 LYS 41 1HD LYS 41 -13.219 -1.975 -1.231 306 HD3 LYS 41 2HD LYS 41 -11.748 -2.646 -1.937 307 HE2 LYS 41 1HE LYS 41 -12.844 -4.473 -2.814 308 HE3 LYS 41 2HE LYS 41 -14.145 -4.395 -1.626 309 HZ1 LYS 41 1HZ LYS 41 -13.767 -2.747 -4.047 310 HZ2 LYS 41 2HZ LYS 41 -14.761 -2.226 -2.782 311 HZ3 LYS 41 3HZ LYS 41 -15.112 -3.668 -3.595 312 H MET 42 H MET 42 -9.531 -2.823 2.280 313 HA MET 42 HA MET 42 -8.793 -5.440 1.565 314 HB2 MET 42 1HB MET 42 -7.117 -3.342 2.957 315 HB3 MET 42 2HB MET 42 -6.507 -4.750 2.096 316 HG2 MET 42 1HG MET 42 -7.915 -3.681 0.122 317 HG3 MET 42 2HG MET 42 -7.614 -2.213 1.048 318 HE1 MET 42 1HE MET 42 -5.313 -2.420 2.396 319 HE2 MET 42 2HE MET 42 -3.804 -2.997 1.688 320 HE3 MET 42 3HE MET 42 -4.415 -1.393 1.278 321 H MET 43 H MET 43 -8.582 -3.779 4.713 322 HA MET 43 HA MET 43 -7.560 -5.838 6.232 323 HB2 MET 43 1HB MET 43 -9.418 -3.573 6.870 324 HB3 MET 43 2HB MET 43 -9.021 -4.759 8.107 325 HG2 MET 43 1HG MET 43 -6.566 -4.236 7.451 326 HG3 MET 43 2HG MET 43 -7.255 -2.770 6.759 327 HE1 MET 43 1HE MET 43 -8.206 -1.075 7.678 328 HE2 MET 43 2HE MET 43 -8.927 -0.957 9.284 329 HE3 MET 43 3HE MET 43 -7.274 -0.404 9.017 330 H ASP 44 H ASP 44 -10.926 -5.236 5.329 331 HA ASP 44 HA ASP 44 -11.972 -7.415 6.849 332 HB2 ASP 44 1HB ASP 44 -13.040 -5.486 4.850 333 HB3 ASP 44 2HB ASP 44 -13.936 -6.983 5.091 334 H GLU 45 H GLU 45 -11.228 -6.931 3.411 335 HA GLU 45 HA GLU 45 -12.093 -9.437 2.501 336 HB2 GLU 45 1HB GLU 45 -11.708 -7.965 0.769 337 HB3 GLU 45 2HB GLU 45 -10.221 -7.353 1.478 338 HG2 GLU 45 1HG GLU 45 -8.941 -9.012 0.585 339 HG3 GLU 45 2HG GLU 45 -10.267 -10.174 0.561 340 H PHE 46 H PHE 46 -8.722 -8.400 3.050 341 HA PHE 46 HA PHE 46 -7.781 -11.110 3.045 342 HB2 PHE 46 1HB PHE 46 -6.317 -8.598 3.879 343 HB3 PHE 46 2HB PHE 46 -5.589 -10.149 3.475 344 HD1 PHE 46 1HD PHE 46 -6.377 -11.045 1.061 345 HD2 PHE 46 2HD PHE 46 -6.214 -6.971 2.278 346 HE1 PHE 46 1HE PHE 46 -6.207 -10.352 -1.294 347 HE2 PHE 46 2HE PHE 46 -6.045 -6.271 -0.074 348 HZ PHE 46 HZ PHE 46 -6.041 -7.962 -1.864 349 H GLU 47 H GLU 47 -9.459 -9.431 5.286 350 HA GLU 47 HA GLU 47 -9.742 -9.539 7.548 351 HB2 GLU 47 1HB GLU 47 -8.708 -12.317 6.971 352 HB3 GLU 47 2HB GLU 47 -9.378 -11.831 8.522 353 HG2 GLU 47 1HG GLU 47 -11.425 -11.096 7.087 354 HG3 GLU 47 2HG GLU 47 -10.746 -12.211 5.903 355 H VAL 48 H VAL 48 -7.471 -8.179 6.962 356 HA VAL 48 HA VAL 48 -5.617 -9.068 9.073 357 HB VAL 48 HB VAL 48 -3.787 -7.951 7.791 358 HG11 VAL 48 1HG1 VAL 48 -3.306 -10.024 7.164 359 HG12 VAL 48 2HG1 VAL 48 -5.000 -10.477 7.353 360 HG13 VAL 48 3HG1 VAL 48 -4.415 -9.879 5.801 361 HG21 VAL 48 1HG2 VAL 48 -4.925 -6.462 6.363 362 HG22 VAL 48 2HG2 VAL 48 -4.248 -7.697 5.303 363 HG23 VAL 48 3HG2 VAL 48 -5.960 -7.738 5.723 364 H ASN 49 H ASN 49 -4.081 -7.064 9.582 365 HA ASN 49 HA ASN 49 -5.792 -4.687 9.890 366 HB2 ASN 49 1HB ASN 49 -3.951 -5.919 11.950 367 HB3 ASN 49 2HB ASN 49 -4.724 -4.346 12.123 368 HD21 ASN 49 1HD2 ASN 49 -7.076 -4.303 12.086 369 HD22 ASN 49 2HD2 ASN 49 -7.946 -5.647 12.735 370 H ILE 50 H ILE 50 -4.936 -3.043 8.817 371 HA ILE 50 HA ILE 50 -2.024 -2.927 8.463 372 HB ILE 50 HB ILE 50 -4.190 -1.429 6.985 373 HG12 ILE 50 1HG1 ILE 50 -2.455 -3.755 6.125 374 HG13 ILE 50 2HG1 ILE 50 -4.176 -3.837 6.487 375 HG21 ILE 50 1HG2 ILE 50 -2.318 -0.870 5.420 376 HG22 ILE 50 2HG2 ILE 50 -2.209 -0.106 7.005 377 HG23 ILE 50 3HG2 ILE 50 -1.202 -1.504 6.629 378 HD11 ILE 50 1HD1 ILE 50 -4.075 -3.768 4.168 379 HD12 ILE 50 2HD1 ILE 50 -4.449 -2.106 4.623 380 HD13 ILE 50 3HD1 ILE 50 -2.804 -2.546 4.164 381 H HIS 51 H HIS 51 -0.840 -1.410 9.435 382 HA HIS 51 HA HIS 51 -2.255 0.801 10.773 383 HB2 HIS 51 1HB HIS 51 0.033 -0.918 11.611 384 HB3 HIS 51 2HB HIS 51 0.019 0.759 12.149 385 HD1 HIS 51 1HD HIS 51 -1.984 1.475 13.705 386 HD2 HIS 51 2HD HIS 51 -1.728 -2.595 12.914 387 HE1 HIS 51 1HE HIS 51 -3.466 0.365 15.407 388 H VAL 52 H VAL 52 -1.722 2.830 10.252 389 HA VAL 52 HA VAL 52 0.589 3.221 8.469 390 HB VAL 52 HB VAL 52 -1.913 4.894 8.742 391 HG11 VAL 52 1HG1 VAL 52 -1.072 6.354 7.128 392 HG12 VAL 52 2HG1 VAL 52 0.306 6.067 8.192 393 HG13 VAL 52 3HG1 VAL 52 0.200 5.233 6.641 394 HG21 VAL 52 1HG2 VAL 52 -2.075 2.646 7.579 395 HG22 VAL 52 2HG2 VAL 52 -2.583 4.050 6.641 396 HG23 VAL 52 3HG2 VAL 52 -1.006 3.316 6.348 397 HA PRO 53 HA PRO 53 2.521 5.620 11.627 398 HB2 PRO 53 1HB PRO 53 4.303 6.949 10.069 399 HB3 PRO 53 2HB PRO 53 4.482 5.242 10.491 400 HG2 PRO 53 1HG PRO 53 3.416 6.468 7.977 401 HG3 PRO 53 2HG PRO 53 4.515 5.091 8.172 402 HD2 PRO 53 1HD PRO 53 1.872 4.787 7.666 403 HD3 PRO 53 2HD PRO 53 2.797 3.626 8.640 404 H ALA 54 H ALA 54 2.264 7.595 12.545 405 HA ALA 54 HA ALA 54 0.363 9.395 11.479 406 HB1 ALA 54 1HB ALA 54 1.578 10.849 13.422 407 HB2 ALA 54 2HB ALA 54 0.309 9.658 13.709 408 HB3 ALA 54 3HB ALA 54 2.002 9.208 13.907 409 HA PRO 55 HA PRO 55 2.701 12.236 9.089 410 HB2 PRO 55 1HB PRO 55 1.633 14.630 9.796 411 HB3 PRO 55 2HB PRO 55 0.770 13.449 8.806 412 HG2 PRO 55 1HG PRO 55 0.529 13.998 11.738 413 HG3 PRO 55 2HG PRO 55 -0.751 13.707 10.545 414 HD2 PRO 55 1HD PRO 55 0.123 11.787 12.243 415 HD3 PRO 55 2HD PRO 55 -0.461 11.421 10.608 416 H GLU 56 H GLU 56 2.712 12.541 12.533 417 HA GLU 56 HA GLU 56 4.702 14.612 12.647 418 HB2 GLU 56 1HB GLU 56 4.503 14.497 14.950 419 HB3 GLU 56 2HB GLU 56 2.918 13.948 14.428 420 HG2 GLU 56 1HG GLU 56 3.359 12.345 15.959 421 HG3 GLU 56 2HG GLU 56 4.099 11.586 14.551 422 H LEU 57 H LEU 57 4.694 11.183 12.341 423 HA LEU 57 HA LEU 57 7.440 10.879 13.227 424 HB2 LEU 57 1HB LEU 57 5.539 8.902 11.975 425 HB3 LEU 57 2HB LEU 57 7.129 8.516 12.628 426 HG LEU 57 HG LEU 57 5.003 9.722 14.364 427 HD11 LEU 57 1HD1 LEU 57 5.361 6.786 14.363 428 HD12 LEU 57 2HD1 LEU 57 4.421 7.482 13.043 429 HD13 LEU 57 3HD1 LEU 57 3.932 7.758 14.714 430 HD21 LEU 57 1HD2 LEU 57 7.626 9.226 14.815 431 HD22 LEU 57 2HD2 LEU 57 6.903 7.712 15.358 432 HD23 LEU 57 3HD2 LEU 57 6.386 9.242 16.070 433 H GLN 58 H GLN 58 5.720 11.457 10.310 434 HA GLN 58 HA GLN 58 6.333 11.584 8.118 435 HB2 GLN 58 1HB GLN 58 9.125 12.090 9.125 436 HB3 GLN 58 2HB GLN 58 8.356 12.730 7.679 437 HG2 GLN 58 1HG GLN 58 7.166 14.311 8.841 438 HG3 GLN 58 2HG GLN 58 7.219 13.398 10.348 439 HE21 GLN 58 1HE2 GLN 58 8.683 13.946 11.814 440 HE22 GLN 58 2HE2 GLN 58 10.016 15.015 11.553 441 H SER 59 H SER 59 6.138 9.012 8.802 442 HA SER 59 HA SER 59 8.571 7.701 7.801 443 HB2 SER 59 1HB SER 59 7.465 7.038 10.047 444 HB3 SER 59 2HB SER 59 6.242 6.256 9.045 445 HG SER 59 HG SER 59 7.627 4.744 8.532 446 H ASP 60 H ASP 60 8.547 6.487 5.974 447 HA ASP 60 HA ASP 60 6.064 6.547 4.399 448 HB2 ASP 60 1HB ASP 60 8.817 6.008 3.301 449 HB3 ASP 60 2HB ASP 60 7.378 6.533 2.433 450 H ILE 61 H ILE 61 7.026 4.549 6.487 451 HA ILE 61 HA ILE 61 6.810 2.147 4.790 452 HB ILE 61 HB ILE 61 8.036 2.108 7.530 453 HG12 ILE 61 1HG1 ILE 61 9.231 3.763 6.049 454 HG13 ILE 61 2HG1 ILE 61 10.222 2.419 6.606 455 HG21 ILE 61 1HG2 ILE 61 7.725 -0.068 6.964 456 HG22 ILE 61 2HG2 ILE 61 7.780 0.259 5.233 457 HG23 ILE 61 3HG2 ILE 61 9.276 0.188 6.164 458 HD11 ILE 61 1HD1 ILE 61 8.983 2.739 3.886 459 HD12 ILE 61 2HD1 ILE 61 10.694 2.853 4.300 460 HD13 ILE 61 3HD1 ILE 61 9.855 1.307 4.432 461 H ILE 62 H ILE 62 4.905 1.190 4.984 462 HA ILE 62 HA ILE 62 3.287 1.639 7.369 463 HB ILE 62 HB ILE 62 2.667 0.461 4.670 464 HG12 ILE 62 1HG1 ILE 62 1.480 2.807 6.168 465 HG13 ILE 62 2HG1 ILE 62 2.732 2.938 4.937 466 HG21 ILE 62 1HG2 ILE 62 0.251 0.524 5.805 467 HG22 ILE 62 2HG2 ILE 62 1.279 -0.908 5.823 468 HG23 ILE 62 3HG2 ILE 62 1.220 0.153 7.231 469 HD11 ILE 62 1HD1 ILE 62 1.126 3.130 3.433 470 HD12 ILE 62 2HD1 ILE 62 0.676 1.457 3.765 471 HD13 ILE 62 3HD1 ILE 62 -0.112 2.771 4.638 472 H ALA 63 H ALA 63 2.659 0.068 8.779 473 HA ALA 63 HA ALA 63 3.995 -2.537 8.492 474 HB1 ALA 63 1HB ALA 63 2.868 -1.417 11.043 475 HB2 ALA 63 2HB ALA 63 4.047 -2.714 10.838 476 HB3 ALA 63 3HB ALA 63 4.500 -1.047 10.485 477 H ILE 64 H ILE 64 2.816 -4.313 8.199 478 HA ILE 64 HA ILE 64 -0.086 -4.153 8.694 479 HB ILE 64 HB ILE 64 1.237 -5.996 6.712 480 HG12 ILE 64 1HG1 ILE 64 -0.012 -3.284 6.217 481 HG13 ILE 64 2HG1 ILE 64 1.694 -3.681 6.052 482 HG21 ILE 64 1HG2 ILE 64 -0.794 -6.909 6.730 483 HG22 ILE 64 2HG2 ILE 64 -1.463 -5.584 7.681 484 HG23 ILE 64 3HG2 ILE 64 -1.357 -5.444 5.925 485 HD11 ILE 64 1HD1 ILE 64 -0.571 -4.249 4.256 486 HD12 ILE 64 2HD1 ILE 64 1.112 -3.870 3.886 487 HD13 ILE 64 3HD1 ILE 64 0.664 -5.500 4.390 488 H THR 65 H THR 65 -0.973 -5.591 10.038 489 HA THR 65 HA THR 65 0.744 -7.753 11.058 490 HB THR 65 HB THR 65 -1.671 -6.481 12.362 491 HG1 THR 65 1HG THR 65 0.596 -5.404 12.164 492 HG21 THR 65 1HG2 THR 65 -0.006 -7.890 14.186 493 HG22 THR 65 2HG2 THR 65 -0.377 -8.968 12.840 494 HG23 THR 65 3HG2 THR 65 -1.684 -8.217 13.754 495 H GLY 66 H GLY 66 0.090 -9.847 10.997 496 HA2 GLY 66 1HA GLY 66 -2.381 -10.958 10.927 497 HA3 GLY 66 2HA GLY 66 -2.124 -10.482 9.254 498 H LEU 67 H LEU 67 -2.517 -13.047 9.527 499 HA LEU 67 HA LEU 67 -0.258 -14.620 10.187 500 HB2 LEU 67 1HB LEU 67 -2.630 -15.214 8.426 501 HB3 LEU 67 2HB LEU 67 -1.438 -16.409 8.928 502 HG LEU 67 HG LEU 67 -3.304 -14.900 10.757 503 HD11 LEU 67 1HD1 LEU 67 -4.009 -16.911 9.120 504 HD12 LEU 67 2HD1 LEU 67 -4.716 -16.656 10.716 505 HD13 LEU 67 3HD1 LEU 67 -3.422 -17.835 10.504 506 HD21 LEU 67 1HD2 LEU 67 -2.155 -17.190 11.963 507 HD22 LEU 67 2HD2 LEU 67 -1.968 -15.498 12.422 508 HD23 LEU 67 3HD2 LEU 67 -0.843 -16.230 11.276 509 H ALA 68 H ALA 68 1.430 -15.332 8.992 510 HA ALA 68 HA ALA 68 2.586 -13.977 6.995 511 HB1 ALA 68 1HB ALA 68 2.589 -16.961 7.389 512 HB2 ALA 68 2HB ALA 68 3.662 -16.127 6.265 513 HB3 ALA 68 3HB ALA 68 3.758 -15.787 7.992 514 H ALA 69 H ALA 69 0.000 -16.329 6.588 515 HA ALA 69 HA ALA 69 0.089 -16.419 3.751 516 HB1 ALA 69 1HB ALA 69 -1.993 -17.586 3.875 517 HB2 ALA 69 2HB ALA 69 -0.983 -18.135 5.213 518 HB3 ALA 69 3HB ALA 69 -2.291 -16.989 5.508 519 H ASN 70 H ASN 70 -2.066 -14.696 6.011 520 HA ASN 70 HA ASN 70 -3.529 -13.322 4.044 521 HB2 ASN 70 1HB ASN 70 -2.987 -12.351 6.854 522 HB3 ASN 70 2HB ASN 70 -4.366 -11.953 5.834 523 HD21 ASN 70 1HD2 ASN 70 -4.841 -12.859 8.312 524 HD22 ASN 70 2HD2 ASN 70 -5.462 -14.471 8.267 525 H LEU 71 H LEU 71 -0.659 -12.391 5.904 526 HA LEU 71 HA LEU 71 -0.374 -9.770 5.118 527 HB2 LEU 71 1HB LEU 71 1.892 -11.733 5.380 528 HB3 LEU 71 2HB LEU 71 1.971 -9.985 5.585 529 HG LEU 71 HG LEU 71 0.345 -11.758 7.393 530 HD11 LEU 71 1HD1 LEU 71 3.029 -12.013 7.178 531 HD12 LEU 71 2HD1 LEU 71 2.122 -12.271 8.668 532 HD13 LEU 71 3HD1 LEU 71 2.912 -10.722 8.374 533 HD21 LEU 71 1HD2 LEU 71 0.488 -8.997 7.075 534 HD22 LEU 71 2HD2 LEU 71 1.470 -9.340 8.499 535 HD23 LEU 71 3HD2 LEU 71 -0.210 -9.875 8.435 536 H ASP 72 H ASP 72 0.472 -12.695 3.350 537 HA ASP 72 HA ASP 72 1.917 -11.517 1.258 538 HB2 ASP 72 1HB ASP 72 0.430 -14.074 1.623 539 HB3 ASP 72 2HB ASP 72 0.875 -13.609 -0.016 540 H ARG 73 H ARG 73 -1.552 -12.154 1.607 541 HA ARG 73 HA ARG 73 -2.248 -11.190 -0.978 542 HB2 ARG 73 1HB ARG 73 -4.221 -11.120 1.255 543 HB3 ARG 73 2HB ARG 73 -4.426 -11.656 -0.407 544 HG2 ARG 73 1HG ARG 73 -2.761 -13.555 0.394 545 HG3 ARG 73 2HG ARG 73 -3.454 -13.142 1.963 546 HD2 ARG 73 1HD ARG 73 -4.889 -14.793 1.227 547 HD3 ARG 73 2HD ARG 73 -5.723 -13.327 0.711 548 HE ARG 73 HE ARG 73 -5.528 -14.086 -1.422 549 HH11 ARG 73 1HH1 ARG 73 -2.940 -15.455 0.461 550 HH12 ARG 73 2HH1 ARG 73 -2.304 -16.389 -0.852 551 HH21 ARG 73 1HH2 ARG 73 -4.701 -15.311 -3.158 552 HH22 ARG 73 2HH2 ARG 73 -3.307 -16.307 -2.911 553 H ALA 74 H ALA 74 -2.620 -9.777 2.275 554 HA ALA 74 HA ALA 74 -3.654 -7.315 1.530 555 HB1 ALA 74 1HB ALA 74 -3.005 -8.466 3.890 556 HB2 ALA 74 2HB ALA 74 -1.748 -7.236 3.766 557 HB3 ALA 74 3HB ALA 74 -3.447 -6.768 3.701 558 H LYS 75 H LYS 75 -0.232 -8.064 2.218 559 HA LYS 75 HA LYS 75 0.905 -5.654 1.579 560 HB2 LYS 75 1HB LYS 75 2.092 -7.665 2.482 561 HB3 LYS 75 2HB LYS 75 2.080 -8.345 0.860 562 HG2 LYS 75 1HG LYS 75 3.382 -6.402 0.072 563 HG3 LYS 75 2HG LYS 75 3.453 -5.811 1.734 564 HD2 LYS 75 1HD LYS 75 4.726 -7.697 2.434 565 HD3 LYS 75 2HD LYS 75 4.448 -8.530 0.903 566 HE2 LYS 75 1HE LYS 75 5.723 -6.751 -0.248 567 HE3 LYS 75 2HE LYS 75 6.056 -6.011 1.316 568 HZ1 LYS 75 1HZ LYS 75 7.347 -8.213 0.049 569 HZ2 LYS 75 2HZ LYS 75 6.814 -8.628 1.600 570 HZ3 LYS 75 3HZ LYS 75 7.844 -7.303 1.386 571 H ALA 76 H ALA 76 -0.026 -8.252 -0.633 572 HA ALA 76 HA ALA 76 1.037 -7.098 -2.978 573 HB1 ALA 76 1HB ALA 76 0.541 -9.195 -3.557 574 HB2 ALA 76 2HB ALA 76 -0.689 -9.345 -2.301 575 HB3 ALA 76 3HB ALA 76 -1.094 -8.596 -3.846 576 H GLY 77 H GLY 77 -2.028 -6.708 -1.305 577 HA2 GLY 77 1HA GLY 77 -3.374 -5.328 -3.393 578 HA3 GLY 77 2HA GLY 77 -3.826 -5.327 -1.695 579 H LEU 78 H LEU 78 -1.377 -4.255 -0.689 580 HA LEU 78 HA LEU 78 -1.921 -1.484 -1.038 581 HB2 LEU 78 1HB LEU 78 -0.921 -2.801 0.987 582 HB3 LEU 78 2HB LEU 78 0.614 -2.485 0.181 583 HG LEU 78 HG LEU 78 0.160 -0.065 0.322 584 HD11 LEU 78 1HD1 LEU 78 -2.459 -0.877 0.794 585 HD12 LEU 78 2HD1 LEU 78 -1.826 0.766 0.867 586 HD13 LEU 78 3HD1 LEU 78 -1.905 -0.214 2.331 587 HD21 LEU 78 1HD2 LEU 78 -0.030 -0.273 3.050 588 HD22 LEU 78 2HD2 LEU 78 1.456 -0.412 2.110 589 HD23 LEU 78 3HD2 LEU 78 0.573 -1.864 2.583 590 H LEU 79 H LEU 79 0.882 -3.510 -1.896 591 HA LEU 79 HA LEU 79 2.457 -1.606 -3.116 592 HB2 LEU 79 1HB LEU 79 2.060 -4.512 -3.794 593 HB3 LEU 79 2HB LEU 79 3.308 -3.509 -4.531 594 HG LEU 79 HG LEU 79 3.110 -4.004 -1.565 595 HD11 LEU 79 1HD1 LEU 79 3.767 -5.882 -3.519 596 HD12 LEU 79 2HD1 LEU 79 4.092 -5.980 -1.788 597 HD13 LEU 79 3HD1 LEU 79 5.310 -5.316 -2.878 598 HD21 LEU 79 1HD2 LEU 79 5.351 -3.152 -1.499 599 HD22 LEU 79 2HD2 LEU 79 4.332 -1.981 -2.338 600 HD23 LEU 79 3HD2 LEU 79 5.408 -3.034 -3.259 601 H GLU 80 H GLU 80 -0.093 -3.587 -4.605 602 HA GLU 80 HA GLU 80 0.174 -2.468 -7.192 603 HB2 GLU 80 1HB GLU 80 -2.094 -3.940 -5.852 604 HB3 GLU 80 2HB GLU 80 -2.141 -3.433 -7.535 605 HG2 GLU 80 1HG GLU 80 -0.199 -4.806 -8.024 606 HG3 GLU 80 2HG GLU 80 -0.095 -5.283 -6.330 607 H ARG 81 H ARG 81 -1.482 -1.455 -4.320 608 HA ARG 81 HA ARG 81 -3.288 0.356 -5.586 609 HB2 ARG 81 1HB ARG 81 -3.288 -0.703 -3.162 610 HB3 ARG 81 2HB ARG 81 -2.387 0.753 -2.767 611 HG2 ARG 81 1HG ARG 81 -4.494 1.487 -2.347 612 HG3 ARG 81 2HG ARG 81 -4.379 1.910 -4.057 613 HD2 ARG 81 1HD ARG 81 -5.507 -0.173 -4.653 614 HD3 ARG 81 2HD ARG 81 -5.607 -0.612 -2.948 615 HE ARG 81 HE ARG 81 -6.819 1.920 -3.544 616 HH11 ARG 81 1HH1 ARG 81 -7.302 -1.527 -3.477 617 HH12 ARG 81 2HH1 ARG 81 -9.023 -1.414 -3.315 618 HH21 ARG 81 1HH2 ARG 81 -9.084 2.082 -3.332 619 HH22 ARG 81 2HH2 ARG 81 -10.037 0.640 -3.234 620 H VAL 82 H VAL 82 -0.029 0.578 -4.314 621 HA VAL 82 HA VAL 82 0.131 3.427 -4.396 622 HB VAL 82 HB VAL 82 2.343 1.367 -4.368 623 HG11 VAL 82 1HG1 VAL 82 2.784 4.104 -3.347 624 HG12 VAL 82 2HG1 VAL 82 3.884 3.016 -4.197 625 HG13 VAL 82 3HG1 VAL 82 2.670 3.927 -5.098 626 HG21 VAL 82 1HG2 VAL 82 0.784 2.751 -2.224 627 HG22 VAL 82 2HG2 VAL 82 1.225 1.050 -2.365 628 HG23 VAL 82 3HG2 VAL 82 2.447 2.243 -1.927 629 H LYS 83 H LYS 83 1.119 0.824 -6.583 630 HA LYS 83 HA LYS 83 2.408 2.468 -8.484 631 HB2 LYS 83 1HB LYS 83 1.103 -0.240 -8.809 632 HB3 LYS 83 2HB LYS 83 2.131 0.525 -10.013 633 HG2 LYS 83 1HG LYS 83 4.042 0.152 -8.824 634 HG3 LYS 83 2HG LYS 83 3.210 0.173 -7.267 635 HD2 LYS 83 1HD LYS 83 2.584 -2.028 -7.419 636 HD3 LYS 83 2HD LYS 83 2.578 -2.017 -9.184 637 HE2 LYS 83 1HE LYS 83 5.155 -1.670 -7.717 638 HE3 LYS 83 2HE LYS 83 4.454 -3.281 -7.868 639 HZ1 LYS 83 1HZ LYS 83 4.629 -1.678 -10.298 640 HZ2 LYS 83 2HZ LYS 83 4.841 -3.342 -10.082 641 HZ3 LYS 83 3HZ LYS 83 6.084 -2.271 -9.670 642 H GLU 84 H GLU 84 -0.929 1.405 -8.106 643 HA GLU 84 HA GLU 84 -1.771 2.557 -10.609 644 HB2 GLU 84 1HB GLU 84 -2.911 0.587 -9.725 645 HB3 GLU 84 2HB GLU 84 -3.372 1.478 -8.282 646 HG2 GLU 84 1HG GLU 84 -5.296 1.527 -9.547 647 HG3 GLU 84 2HG GLU 84 -4.551 3.081 -9.920 648 H LEU 85 H LEU 85 -2.261 3.324 -7.169 649 HA LEU 85 HA LEU 85 -3.828 5.575 -7.405 650 HB2 LEU 85 1HB LEU 85 -1.718 4.780 -5.438 651 HB3 LEU 85 2HB LEU 85 -2.525 6.341 -5.300 652 HG LEU 85 HG LEU 85 -4.068 3.764 -5.385 653 HD11 LEU 85 1HD1 LEU 85 -3.012 5.163 -2.932 654 HD12 LEU 85 2HD1 LEU 85 -2.449 3.611 -3.553 655 HD13 LEU 85 3HD1 LEU 85 -4.101 3.776 -2.956 656 HD21 LEU 85 1HD2 LEU 85 -5.711 5.165 -4.144 657 HD22 LEU 85 2HD2 LEU 85 -5.381 5.727 -5.783 658 HD23 LEU 85 3HD2 LEU 85 -4.655 6.553 -4.403 659 H GLN 86 H GLN 86 -0.275 5.414 -7.437 660 HA GLN 86 HA GLN 86 0.120 8.188 -7.824 661 HB2 GLN 86 1HB GLN 86 2.405 7.668 -8.198 662 HB3 GLN 86 2HB GLN 86 1.829 6.515 -7.001 663 HG2 GLN 86 1HG GLN 86 1.597 4.818 -8.735 664 HG3 GLN 86 2HG GLN 86 2.161 5.972 -9.942 665 HE21 GLN 86 1HE2 GLN 86 3.265 5.167 -6.670 666 HE22 GLN 86 2HE2 GLN 86 4.891 4.802 -7.122 667 H ALA 87 H ALA 87 -0.329 5.492 -10.027 668 HA ALA 87 HA ALA 87 0.469 6.697 -12.414 669 HB1 ALA 87 1HB ALA 87 -0.062 4.691 -13.189 670 HB2 ALA 87 2HB ALA 87 -0.807 4.296 -11.641 671 HB3 ALA 87 3HB ALA 87 -1.774 5.021 -12.925 672 H GLU 88 H GLU 88 -2.113 7.490 -10.382 673 HA GLU 88 HA GLU 88 -3.772 8.610 -12.492 674 HB2 GLU 88 1HB GLU 88 -4.100 8.630 -9.486 675 HB3 GLU 88 2HB GLU 88 -5.273 9.267 -10.631 676 HG2 GLU 88 1HG GLU 88 -5.480 7.006 -11.610 677 HG3 GLU 88 2HG GLU 88 -4.400 6.401 -10.356 678 H GLN 89 H GLN 89 -2.329 9.888 -9.486 679 HA GLN 89 HA GLN 89 -2.663 12.588 -10.103 680 HB2 GLN 89 1HB GLN 89 -0.968 13.019 -8.381 681 HB3 GLN 89 2HB GLN 89 -2.131 11.811 -7.851 682 HG2 GLN 89 1HG GLN 89 -0.603 10.098 -7.943 683 HG3 GLN 89 2HG GLN 89 0.419 10.929 -9.113 684 HE21 GLN 89 1HE2 GLN 89 0.343 9.889 -6.060 685 HE22 GLN 89 2HE2 GLN 89 1.392 11.035 -5.306 686 H GLU 90 H GLU 90 -0.497 10.300 -11.404 687 HA GLU 90 HA GLU 90 1.457 12.267 -12.264 688 HB2 GLU 90 1HB GLU 90 2.793 10.497 -12.909 689 HB3 GLU 90 2HB GLU 90 1.872 9.773 -11.598 690 HG2 GLU 90 1HG GLU 90 0.344 8.777 -13.236 691 HG3 GLU 90 2HG GLU 90 1.305 9.476 -14.540 692 H ASP 91 H ASP 91 -1.102 10.277 -13.661 693 HA ASP 91 HA ASP 91 -0.837 10.465 -16.310 694 HB2 ASP 91 1HB ASP 91 -2.851 9.600 -15.086 695 HB3 ASP 91 2HB ASP 91 -3.409 11.264 -14.938 696 H ARG 92 H ARG 92 -2.311 13.110 -14.420 697 HA ARG 92 HA ARG 92 -2.409 14.938 -16.557 698 HB2 ARG 92 1HB ARG 92 -2.708 16.657 -14.779 699 HB3 ARG 92 2HB ARG 92 -3.789 15.280 -14.617 700 HG2 ARG 92 1HG ARG 92 -2.072 14.348 -12.974 701 HG3 ARG 92 2HG ARG 92 -1.385 15.974 -12.970 702 HD2 ARG 92 1HD ARG 92 -3.697 16.814 -12.400 703 HD3 ARG 92 2HD ARG 92 -4.152 15.131 -12.141 704 HE ARG 92 HE ARG 92 -1.903 15.537 -10.609 705 HH11 ARG 92 1HH1 ARG 92 -5.098 16.904 -10.816 706 HH12 ARG 92 2HH1 ARG 92 -5.174 17.311 -9.134 707 HH21 ARG 92 1HH2 ARG 92 -1.992 16.068 -8.393 708 HH22 ARG 92 2HH2 ARG 92 -3.407 16.836 -7.756 709 H ALA 93 H ALA 93 0.012 14.365 -14.046 710 HA ALA 93 HA ALA 93 1.681 16.539 -14.522 711 HB1 ALA 93 1HB ALA 93 2.229 13.770 -13.503 712 HB2 ALA 93 2HB ALA 93 3.504 14.980 -13.649 713 HB3 ALA 93 3HB ALA 93 2.121 15.279 -12.597 714 H LEU 94 H LEU 94 2.046 13.229 -15.812 715 HA LEU 94 HA LEU 94 4.181 13.665 -17.494 716 HB2 LEU 94 1HB LEU 94 1.898 11.770 -17.486 717 HB3 LEU 94 2HB LEU 94 2.870 11.872 -18.952 718 HG LEU 94 HG LEU 94 4.206 11.424 -16.314 719 HD11 LEU 94 1HD1 LEU 94 2.722 9.382 -17.947 720 HD12 LEU 94 2HD1 LEU 94 2.557 9.737 -16.227 721 HD13 LEU 94 3HD1 LEU 94 4.020 8.960 -16.831 722 HD21 LEU 94 1HD2 LEU 94 4.857 10.361 -19.053 723 HD22 LEU 94 2HD2 LEU 94 5.900 10.424 -17.631 724 HD23 LEU 94 3HD2 LEU 94 5.441 11.915 -18.457 725 H ARG 95 H ARG 95 0.726 14.036 -18.247 726 HA ARG 95 HA ARG 95 0.656 14.601 -20.859 727 HB2 ARG 95 1HB ARG 95 -1.234 14.831 -19.193 728 HB3 ARG 95 2HB ARG 95 -0.639 16.452 -18.858 729 HG2 ARG 95 1HG ARG 95 -1.005 17.075 -21.189 730 HG3 ARG 95 2HG ARG 95 -1.592 15.445 -21.531 731 HD2 ARG 95 1HD ARG 95 -2.829 17.294 -19.499 732 HD3 ARG 95 2HD ARG 95 -3.387 17.149 -21.165 733 HE ARG 95 HE ARG 95 -3.337 14.590 -20.068 734 HH11 ARG 95 1HH1 ARG 95 -5.021 17.603 -19.607 735 HH12 ARG 95 2HH1 ARG 95 -6.469 16.853 -19.019 736 HH21 ARG 95 1HH2 ARG 95 -5.237 13.592 -19.295 737 HH22 ARG 95 2HH2 ARG 95 -6.590 14.573 -18.841 738 H SER 96 H SER 96 1.271 16.162 -22.279 739 HA SER 96 HA SER 96 3.472 17.804 -21.609 740 HB2 SER 96 1HB SER 96 3.146 18.743 -23.918 741 HB3 SER 96 2HB SER 96 3.261 16.984 -23.863 742 HG SER 96 HG SER 96 1.328 18.417 -24.905 743 H PHE 97 H PHE 97 2.742 19.088 -19.859 744 HA PHE 97 HA PHE 97 0.595 20.650 -19.524 745 HB2 PHE 97 1HB PHE 97 3.476 21.098 -18.916 746 HB3 PHE 97 2HB PHE 97 2.379 22.459 -18.711 747 HD1 PHE 97 1HD PHE 97 0.505 22.301 -17.105 748 HD2 PHE 97 2HD PHE 97 3.488 19.280 -17.400 749 HE1 PHE 97 1HE PHE 97 -0.164 21.430 -14.903 750 HE2 PHE 97 2HE PHE 97 2.824 18.404 -15.200 751 HZ PHE 97 HZ PHE 97 0.996 19.478 -13.948 752 H LYS 98 H LYS 98 -0.260 22.556 -20.254 753 HA LYS 98 HA LYS 98 1.099 24.323 -22.023 754 HB2 LYS 98 1HB LYS 98 0.370 22.173 -23.388 755 HB3 LYS 98 2HB LYS 98 -1.192 22.981 -23.391 756 HG2 LYS 98 1HG LYS 98 1.277 24.435 -24.249 757 HG3 LYS 98 2HG LYS 98 0.420 23.365 -25.361 758 HD2 LYS 98 1HD LYS 98 -1.596 24.655 -25.132 759 HD3 LYS 98 2HD LYS 98 -0.868 25.646 -23.866 760 HE2 LYS 98 1HE LYS 98 -0.643 27.009 -25.710 761 HE3 LYS 98 2HE LYS 98 0.912 26.177 -25.694 762 HZ1 LYS 98 1HZ LYS 98 -0.088 26.257 -27.911 763 HZ2 LYS 98 2HZ LYS 98 -1.423 25.384 -27.350 764 HZ3 LYS 98 3HZ LYS 98 0.109 24.666 -27.371 765 H SER 99 H SER 99 0.353 26.136 -21.131 766 HA SER 99 HA SER 99 -2.314 26.352 -20.084 767 HB2 SER 99 1HB SER 99 -0.596 27.544 -18.917 768 HB3 SER 99 2HB SER 99 -0.066 28.349 -20.394 769 HG SER 99 HG SER 99 -2.325 28.833 -18.807 770 H GLY 100 H GLY 100 -4.084 27.087 -21.075 771 HA2 GLY 100 1HA GLY 100 -3.764 28.184 -23.791 772 HA3 GLY 100 2HA GLY 100 -5.194 27.350 -23.199 773 HA PRO 101 HA PRO 101 -5.494 32.087 -22.815 774 HB2 PRO 101 1HB PRO 101 -7.177 32.545 -24.896 775 HB3 PRO 101 2HB PRO 101 -5.417 32.589 -25.055 776 HG2 PRO 101 1HG PRO 101 -7.327 30.391 -25.749 777 HG3 PRO 101 2HG PRO 101 -5.930 30.989 -26.663 778 HD2 PRO 101 1HD PRO 101 -5.832 28.740 -25.158 779 HD3 PRO 101 2HD PRO 101 -4.425 29.799 -25.384 780 H SER 102 H SER 102 -6.766 32.114 -21.041 781 HA SER 102 HA SER 102 -8.573 31.720 -19.668 782 HB2 SER 102 1HB SER 102 -10.493 32.984 -20.337 783 HB3 SER 102 2HB SER 102 -9.083 33.811 -20.998 784 HG SER 102 HG SER 102 -9.595 32.402 -22.939 785 H SER 103 H SER 103 -7.886 29.361 -20.973 786 HA SER 103 HA SER 103 -10.489 28.047 -21.061 787 HB2 SER 103 1HB SER 103 -9.987 26.834 -23.110 788 HB3 SER 103 2HB SER 103 -9.906 28.569 -23.422 789 HG SER 103 HG SER 103 -7.560 27.245 -22.673 790 H GLY 104 H GLY 104 -10.332 26.596 -19.483 791 HA2 GLY 104 1HA GLY 104 -8.183 25.648 -18.154 792 HA3 GLY 104 2HA GLY 104 -9.613 24.665 -18.429 Start of MODEL 4 1 H1 GLY 1 H GLY 1 19.259 4.564 -3.714 2 HA2 GLY 1 1HA GLY 1 16.876 3.887 -2.440 3 HA3 GLY 1 2HA GLY 1 17.009 4.376 -4.123 4 H SER 2 H SER 2 17.806 1.508 -2.153 5 HA SER 2 HA SER 2 16.241 -0.128 -4.005 6 HB2 SER 2 1HB SER 2 19.153 -0.577 -3.331 7 HB3 SER 2 2HB SER 2 18.117 -1.836 -4.005 8 HG SER 2 HG SER 2 18.658 -0.995 -5.850 9 H SER 3 H SER 3 14.763 -0.980 -2.694 10 HA SER 3 HA SER 3 15.633 -2.601 -0.453 11 HB2 SER 3 1HB SER 3 15.181 -0.174 0.343 12 HB3 SER 3 2HB SER 3 13.481 -0.569 0.091 13 HG SER 3 HG SER 3 15.313 -1.676 1.918 14 H GLY 4 H GLY 4 14.474 -4.418 -0.372 15 HA2 GLY 4 1HA GLY 4 11.830 -4.877 -0.433 16 HA3 GLY 4 2HA GLY 4 12.192 -4.697 -2.142 17 H SER 5 H SER 5 11.584 -6.958 0.021 18 HA SER 5 HA SER 5 13.728 -8.807 -0.643 19 HB2 SER 5 1HB SER 5 11.374 -8.889 1.220 20 HB3 SER 5 2HB SER 5 12.214 -10.378 0.787 21 HG SER 5 HG SER 5 13.570 -9.829 2.287 22 H SER 6 H SER 6 13.347 -10.868 -1.615 23 HA SER 6 HA SER 6 10.857 -11.118 -3.144 24 HB2 SER 6 1HB SER 6 11.961 -11.473 -5.212 25 HB3 SER 6 2HB SER 6 12.729 -10.044 -4.520 26 HG SER 6 HG SER 6 13.718 -12.694 -4.608 27 H GLY 7 H GLY 7 10.925 -13.343 -4.361 28 HA2 GLY 7 1HA GLY 7 11.612 -15.635 -4.302 29 HA3 GLY 7 2HA GLY 7 12.233 -15.370 -2.679 30 H LYS 8 H LYS 8 10.830 -17.537 -2.812 31 HA LYS 8 HA LYS 8 8.005 -17.112 -2.449 32 HB2 LYS 8 1HB LYS 8 7.936 -19.531 -1.976 33 HB3 LYS 8 2HB LYS 8 8.780 -19.175 -3.477 34 HG2 LYS 8 1HG LYS 8 10.904 -19.243 -1.960 35 HG3 LYS 8 2HG LYS 8 9.859 -20.175 -0.886 36 HD2 LYS 8 1HD LYS 8 10.877 -21.808 -2.196 37 HD3 LYS 8 2HD LYS 8 9.316 -21.570 -2.986 38 HE2 LYS 8 1HE LYS 8 10.859 -21.595 -4.744 39 HE3 LYS 8 2HE LYS 8 10.533 -19.884 -4.474 40 HZ1 LYS 8 1HZ LYS 8 12.574 -19.673 -3.272 41 HZ2 LYS 8 2HZ LYS 8 12.913 -20.404 -4.759 42 HZ3 LYS 8 3HZ LYS 8 12.864 -21.338 -3.349 43 H GLU 9 H GLU 9 7.113 -18.482 -0.419 44 HA GLU 9 HA GLU 9 8.601 -18.117 2.005 45 HB2 GLU 9 1HB GLU 9 7.516 -15.821 1.255 46 HB3 GLU 9 2HB GLU 9 6.071 -16.533 1.959 47 HG2 GLU 9 1HG GLU 9 7.665 -16.997 3.985 48 HG3 GLU 9 2HG GLU 9 8.599 -15.683 3.271 49 H ALA 10 H ALA 10 7.882 -19.459 3.566 50 HA ALA 10 HA ALA 10 5.149 -20.459 3.497 51 HB1 ALA 10 1HB ALA 10 7.089 -21.904 2.203 52 HB2 ALA 10 2HB ALA 10 7.038 -22.661 3.797 53 HB3 ALA 10 3HB ALA 10 5.570 -22.549 2.826 54 H LEU 11 H LEU 11 4.513 -20.032 5.508 55 HA LEU 11 HA LEU 11 5.890 -21.255 7.730 56 HB2 LEU 11 1HB LEU 11 7.141 -19.249 7.703 57 HB3 LEU 11 2HB LEU 11 5.703 -18.271 7.424 58 HG LEU 11 HG LEU 11 4.940 -18.846 9.722 59 HD11 LEU 11 1HD1 LEU 11 7.549 -20.304 9.719 60 HD12 LEU 11 2HD1 LEU 11 5.974 -20.822 10.320 61 HD13 LEU 11 3HD1 LEU 11 6.910 -19.628 11.218 62 HD21 LEU 11 1HD2 LEU 11 7.238 -17.636 10.661 63 HD22 LEU 11 2HD2 LEU 11 5.814 -16.817 10.018 64 HD23 LEU 11 3HD2 LEU 11 7.183 -17.166 8.962 65 H GLU 12 H GLU 12 4.540 -21.693 9.420 66 HA GLU 12 HA GLU 12 1.822 -20.571 9.301 67 HB2 GLU 12 1HB GLU 12 1.656 -22.784 8.385 68 HB3 GLU 12 2HB GLU 12 2.610 -23.457 9.699 69 HG2 GLU 12 1HG GLU 12 0.876 -23.318 11.213 70 HG3 GLU 12 2HG GLU 12 0.035 -22.073 10.290 71 H ALA 13 H ALA 13 1.308 -19.573 11.122 72 HA ALA 13 HA ALA 13 2.102 -20.699 13.687 73 HB1 ALA 13 1HB ALA 13 3.817 -19.305 13.950 74 HB2 ALA 13 2HB ALA 13 3.373 -18.370 12.521 75 HB3 ALA 13 3HB ALA 13 2.629 -18.008 14.079 76 H LEU 14 H LEU 14 0.432 -20.622 15.036 77 HA LEU 14 HA LEU 14 -2.072 -19.701 14.455 78 HB2 LEU 14 1HB LEU 14 -2.589 -19.861 16.802 79 HB3 LEU 14 2HB LEU 14 -1.524 -21.185 16.333 80 HG LEU 14 HG LEU 14 0.337 -19.545 17.249 81 HD11 LEU 14 1HD1 LEU 14 -1.786 -18.836 19.196 82 HD12 LEU 14 2HD1 LEU 14 -1.684 -17.900 17.705 83 HD13 LEU 14 3HD1 LEU 14 -0.294 -17.991 18.786 84 HD21 LEU 14 1HD2 LEU 14 -0.821 -21.850 18.107 85 HD22 LEU 14 2HD2 LEU 14 -1.125 -20.778 19.473 86 HD23 LEU 14 3HD2 LEU 14 0.525 -21.043 18.910 87 H VAL 15 H VAL 15 0.542 -17.924 16.033 88 HA VAL 15 HA VAL 15 -1.105 -15.551 16.329 89 HB VAL 15 HB VAL 15 0.517 -16.103 18.085 90 HG11 VAL 15 1HG1 VAL 15 2.625 -15.561 15.995 91 HG12 VAL 15 2HG1 VAL 15 2.905 -15.924 17.699 92 HG13 VAL 15 3HG1 VAL 15 2.211 -17.150 16.639 93 HG21 VAL 15 1HG2 VAL 15 -0.051 -13.817 17.972 94 HG22 VAL 15 2HG2 VAL 15 1.707 -13.859 18.113 95 HG23 VAL 15 3HG2 VAL 15 0.954 -13.556 16.546 96 HA PRO 16 HA PRO 16 -0.020 -13.832 12.411 97 HB2 PRO 16 1HB PRO 16 -0.707 -11.256 12.926 98 HB3 PRO 16 2HB PRO 16 -1.900 -12.530 12.643 99 HG2 PRO 16 1HG PRO 16 -0.939 -11.375 15.233 100 HG3 PRO 16 2HG PRO 16 -2.591 -11.784 14.734 101 HD2 PRO 16 1HD PRO 16 -1.114 -13.391 16.336 102 HD3 PRO 16 2HD PRO 16 -2.307 -14.026 15.186 103 H VAL 17 H VAL 17 1.157 -11.746 11.622 104 HA VAL 17 HA VAL 17 3.324 -10.943 13.405 105 HB VAL 17 HB VAL 17 4.929 -11.319 11.404 106 HG11 VAL 17 1HG1 VAL 17 5.136 -12.465 13.535 107 HG12 VAL 17 2HG1 VAL 17 3.906 -13.633 13.048 108 HG13 VAL 17 3HG1 VAL 17 5.456 -13.581 12.207 109 HG21 VAL 17 1HG2 VAL 17 3.696 -13.743 10.587 110 HG22 VAL 17 2HG2 VAL 17 2.535 -12.434 10.359 111 HG23 VAL 17 3HG2 VAL 17 4.127 -12.344 9.604 112 H THR 18 H THR 18 4.425 -9.043 12.733 113 HA THR 18 HA THR 18 2.808 -7.371 10.957 114 HB THR 18 HB THR 18 4.964 -6.598 12.932 115 HG1 THR 18 1HG THR 18 3.236 -5.907 14.185 116 HG21 THR 18 1HG2 THR 18 3.480 -5.076 10.870 117 HG22 THR 18 2HG2 THR 18 5.082 -4.797 11.551 118 HG23 THR 18 3HG2 THR 18 3.646 -4.312 12.450 119 H ILE 19 H ILE 19 3.598 -6.402 9.144 120 HA ILE 19 HA ILE 19 6.374 -7.050 8.393 121 HB ILE 19 HB ILE 19 5.637 -7.146 6.044 122 HG12 ILE 19 1HG1 ILE 19 2.821 -7.102 7.141 123 HG13 ILE 19 2HG1 ILE 19 3.601 -5.704 6.411 124 HG21 ILE 19 1HG2 ILE 19 3.954 -9.221 6.630 125 HG22 ILE 19 2HG2 ILE 19 5.715 -9.306 6.618 126 HG23 ILE 19 3HG2 ILE 19 4.855 -9.030 8.133 127 HD11 ILE 19 1HD1 ILE 19 3.471 -6.559 4.306 128 HD12 ILE 19 2HD1 ILE 19 3.513 -8.233 4.861 129 HD13 ILE 19 3HD1 ILE 19 2.034 -7.285 5.024 130 H GLU 20 H GLU 20 6.849 -5.611 6.261 131 HA GLU 20 HA GLU 20 6.070 -2.845 6.895 132 HB2 GLU 20 1HB GLU 20 8.787 -4.027 6.636 133 HB3 GLU 20 2HB GLU 20 8.540 -2.418 5.973 134 HG2 GLU 20 1HG GLU 20 7.744 -1.641 8.148 135 HG3 GLU 20 2HG GLU 20 7.998 -3.253 8.813 136 H VAL 21 H VAL 21 5.283 -1.763 5.214 137 HA VAL 21 HA VAL 21 5.890 -2.755 2.505 138 HB VAL 21 HB VAL 21 3.367 -1.279 3.210 139 HG11 VAL 21 1HG1 VAL 21 4.311 -2.949 0.903 140 HG12 VAL 21 2HG1 VAL 21 2.595 -2.643 1.183 141 HG13 VAL 21 3HG1 VAL 21 3.697 -1.296 0.895 142 HG21 VAL 21 1HG2 VAL 21 4.088 -4.045 3.839 143 HG22 VAL 21 2HG2 VAL 21 2.789 -3.038 4.478 144 HG23 VAL 21 3HG2 VAL 21 2.579 -3.878 2.941 145 H GLU 22 H GLU 22 6.884 -1.369 1.199 146 HA GLU 22 HA GLU 22 7.490 1.286 2.049 147 HB2 GLU 22 1HB GLU 22 8.026 -0.269 -0.470 148 HB3 GLU 22 2HB GLU 22 8.451 1.431 -0.335 149 HG2 GLU 22 1HG GLU 22 10.116 1.043 1.181 150 HG3 GLU 22 2HG GLU 22 9.372 -0.435 1.786 151 H VAL 23 H VAL 23 6.013 2.846 2.028 152 HA VAL 23 HA VAL 23 4.612 3.435 -0.449 153 HB VAL 23 HB VAL 23 3.156 2.846 2.126 154 HG11 VAL 23 1HG1 VAL 23 1.127 3.651 1.010 155 HG12 VAL 23 2HG1 VAL 23 2.315 4.940 1.212 156 HG13 VAL 23 3HG1 VAL 23 2.097 4.179 -0.365 157 HG21 VAL 23 1HG2 VAL 23 1.775 1.497 0.378 158 HG22 VAL 23 2HG2 VAL 23 3.234 1.628 -0.602 159 HG23 VAL 23 3HG2 VAL 23 3.302 0.847 0.977 160 HA PRO 24 HA PRO 24 5.731 7.487 0.945 161 HB2 PRO 24 1HB PRO 24 4.420 8.875 -0.983 162 HB3 PRO 24 2HB PRO 24 5.936 8.018 -1.281 163 HG2 PRO 24 1HG PRO 24 3.129 7.165 -1.877 164 HG3 PRO 24 2HG PRO 24 4.582 7.015 -2.883 165 HD2 PRO 24 1HD PRO 24 3.583 4.947 -1.448 166 HD3 PRO 24 2HD PRO 24 5.320 5.143 -1.758 167 H PHE 25 H PHE 25 4.865 8.789 2.439 168 HA PHE 25 HA PHE 25 2.304 8.431 3.476 169 HB2 PHE 25 1HB PHE 25 4.242 9.475 4.671 170 HB3 PHE 25 2HB PHE 25 3.985 10.932 3.718 171 HD1 PHE 25 1HD PHE 25 1.716 12.080 3.899 172 HD2 PHE 25 2HD PHE 25 3.078 9.135 6.654 173 HE1 PHE 25 1HE PHE 25 0.080 12.877 5.555 174 HE2 PHE 25 2HE PHE 25 1.444 9.927 8.313 175 HZ PHE 25 HZ PHE 25 -0.058 11.800 7.766 176 H ASP 26 H ASP 26 3.330 10.186 0.736 177 HA ASP 26 HA ASP 26 1.298 12.162 0.649 178 HB2 ASP 26 1HB ASP 26 2.740 10.948 -1.713 179 HB3 ASP 26 2HB ASP 26 1.978 12.533 -1.627 180 H LEU 27 H LEU 27 1.194 8.816 0.248 181 HA LEU 27 HA LEU 27 -1.236 8.946 -1.396 182 HB2 LEU 27 1HB LEU 27 0.586 6.650 -0.706 183 HB3 LEU 27 2HB LEU 27 -0.931 6.471 -1.586 184 HG LEU 27 HG LEU 27 1.369 8.156 -2.562 185 HD11 LEU 27 1HD1 LEU 27 0.692 5.457 -3.653 186 HD12 LEU 27 2HD1 LEU 27 1.774 5.614 -2.269 187 HD13 LEU 27 3HD1 LEU 27 2.185 6.384 -3.800 188 HD21 LEU 27 1HD2 LEU 27 0.013 8.750 -4.216 189 HD22 LEU 27 2HD2 LEU 27 -1.312 7.972 -3.349 190 HD23 LEU 27 3HD2 LEU 27 -0.394 7.067 -4.553 191 H HIS 28 H HIS 28 -0.014 8.104 1.747 192 HA HIS 28 HA HIS 28 -1.869 6.451 2.833 193 HB2 HIS 28 1HB HIS 28 -0.718 8.938 4.117 194 HB3 HIS 28 2HB HIS 28 -1.517 7.634 4.991 195 HD2 HIS 28 2HD HIS 28 0.525 5.810 2.525 196 HE1 HIS 28 1HE HIS 28 3.187 6.540 5.748 197 HE2 HIS 28 2HE HIS 28 2.825 5.294 3.589 198 H ARG 29 H ARG 29 -2.204 10.005 2.941 199 HA ARG 29 HA ARG 29 -4.713 10.234 3.956 200 HB2 ARG 29 1HB ARG 29 -4.944 12.311 2.558 201 HB3 ARG 29 2HB ARG 29 -3.454 12.206 3.484 202 HG2 ARG 29 1HG ARG 29 -2.200 11.624 1.541 203 HG3 ARG 29 2HG ARG 29 -3.670 11.453 0.581 204 HD2 ARG 29 1HD ARG 29 -3.034 13.550 -0.058 205 HD3 ARG 29 2HD ARG 29 -4.037 13.953 1.335 206 HE ARG 29 HE ARG 29 -1.494 13.641 2.328 207 HH11 ARG 29 1HH1 ARG 29 -3.029 15.654 -0.061 208 HH12 ARG 29 2HH1 ARG 29 -1.941 16.982 0.170 209 HH21 ARG 29 1HH2 ARG 29 -0.055 15.382 2.640 210 HH22 ARG 29 2HH2 ARG 29 -0.249 16.826 1.706 211 H TYR 30 H TYR 30 -3.838 9.215 0.727 212 HA TYR 30 HA TYR 30 -6.560 9.289 -0.239 213 HB2 TYR 30 1HB TYR 30 -4.072 8.108 -1.491 214 HB3 TYR 30 2HB TYR 30 -5.621 8.320 -2.297 215 HD1 TYR 30 2HD TYR 30 -6.357 11.034 -1.323 216 HD2 TYR 30 1HD TYR 30 -2.639 9.501 -2.711 217 HE1 TYR 30 2HE TYR 30 -5.689 13.298 -2.018 218 HE2 TYR 30 1HE TYR 30 -1.961 11.760 -3.409 219 HH TYR 30 HH TYR 30 -2.797 14.294 -2.499 220 H VAL 31 H VAL 31 -4.322 6.936 1.060 221 HA VAL 31 HA VAL 31 -5.877 4.640 0.352 222 HB VAL 31 HB VAL 31 -3.724 4.892 2.456 223 HG11 VAL 31 1HG1 VAL 31 -3.966 2.718 2.875 224 HG12 VAL 31 2HG1 VAL 31 -5.496 2.811 1.998 225 HG13 VAL 31 3HG1 VAL 31 -4.023 2.320 1.158 226 HG21 VAL 31 1HG2 VAL 31 -2.161 4.173 0.808 227 HG22 VAL 31 2HG2 VAL 31 -3.442 3.888 -0.371 228 HG23 VAL 31 3HG2 VAL 31 -3.049 5.534 0.123 229 H ILE 32 H ILE 32 -5.164 6.143 3.512 230 HA ILE 32 HA ILE 32 -6.848 4.701 5.109 231 HB ILE 32 HB ILE 32 -6.340 7.673 5.296 232 HG12 ILE 32 1HG1 ILE 32 -4.941 5.422 6.746 233 HG13 ILE 32 2HG1 ILE 32 -4.329 6.135 5.257 234 HG21 ILE 32 1HG2 ILE 32 -8.255 6.998 6.640 235 HG22 ILE 32 2HG2 ILE 32 -7.293 5.726 7.391 236 HG23 ILE 32 3HG2 ILE 32 -6.886 7.419 7.669 237 HD11 ILE 32 1HD1 ILE 32 -3.346 6.982 7.426 238 HD12 ILE 32 2HD1 ILE 32 -3.928 8.202 6.293 239 HD13 ILE 32 3HD1 ILE 32 -4.897 7.774 7.704 240 H GLY 33 H GLY 33 -7.714 7.757 3.473 241 HA2 GLY 33 1HA GLY 33 -9.735 8.451 2.608 242 HA3 GLY 33 2HA GLY 33 -10.337 6.816 2.839 243 H GLN 34 H GLN 34 -12.066 8.810 3.293 244 HA GLN 34 HA GLN 34 -12.134 9.965 5.823 245 HB2 GLN 34 1HB GLN 34 -13.699 10.775 4.275 246 HB3 GLN 34 2HB GLN 34 -14.286 9.163 3.886 247 HG2 GLN 34 1HG GLN 34 -15.188 9.047 6.230 248 HG3 GLN 34 2HG GLN 34 -14.804 10.762 6.375 249 HE21 GLN 34 1HE2 GLN 34 -15.641 12.054 4.397 250 HE22 GLN 34 2HE2 GLN 34 -17.284 11.742 3.965 251 H LYS 35 H LYS 35 -12.584 9.248 7.814 252 HA LYS 35 HA LYS 35 -12.815 7.737 9.513 253 HB2 LYS 35 1HB LYS 35 -15.199 8.197 8.561 254 HB3 LYS 35 2HB LYS 35 -15.094 6.545 7.967 255 HG2 LYS 35 1HG LYS 35 -16.218 6.439 10.033 256 HG3 LYS 35 2HG LYS 35 -14.582 5.849 10.334 257 HD2 LYS 35 1HD LYS 35 -14.898 7.279 12.118 258 HD3 LYS 35 2HD LYS 35 -14.101 8.338 10.953 259 HE2 LYS 35 1HE LYS 35 -17.093 8.142 11.140 260 HE3 LYS 35 2HE LYS 35 -16.167 9.240 12.162 261 HZ1 LYS 35 1HZ LYS 35 -15.164 9.980 9.900 262 HZ2 LYS 35 2HZ LYS 35 -16.671 10.573 10.386 263 HZ3 LYS 35 3HZ LYS 35 -16.581 9.317 9.255 264 H GLY 36 H GLY 36 -10.874 6.906 7.744 265 HA2 GLY 36 1HA GLY 36 -9.817 5.046 6.846 266 HA3 GLY 36 2HA GLY 36 -10.268 4.371 8.405 267 H SER 37 H SER 37 -12.137 5.202 5.488 268 HA SER 37 HA SER 37 -13.496 2.630 5.680 269 HB2 SER 37 1HB SER 37 -14.022 4.896 3.745 270 HB3 SER 37 2HB SER 37 -15.079 3.528 4.091 271 HG SER 37 HG SER 37 -15.189 4.338 6.271 272 H GLY 38 H GLY 38 -11.231 4.342 3.640 273 HA2 GLY 38 1HA GLY 38 -11.387 2.661 1.371 274 HA3 GLY 38 2HA GLY 38 -10.031 3.696 1.792 275 H ILE 39 H ILE 39 -9.580 2.420 4.370 276 HA ILE 39 HA ILE 39 -8.069 0.136 3.390 277 HB ILE 39 HB ILE 39 -8.067 1.471 6.100 278 HG12 ILE 39 1HG1 ILE 39 -6.078 1.578 3.820 279 HG13 ILE 39 2HG1 ILE 39 -7.164 2.878 4.297 280 HG21 ILE 39 1HG2 ILE 39 -5.718 0.046 5.824 281 HG22 ILE 39 2HG2 ILE 39 -7.105 -0.409 6.812 282 HG23 ILE 39 3HG2 ILE 39 -6.945 -1.039 5.172 283 HD11 ILE 39 1HD1 ILE 39 -4.698 1.884 5.619 284 HD12 ILE 39 2HD1 ILE 39 -5.232 3.537 5.311 285 HD13 ILE 39 3HD1 ILE 39 -5.969 2.600 6.610 286 H ARG 40 H ARG 40 -10.652 0.864 5.677 287 HA ARG 40 HA ARG 40 -10.904 -1.471 7.068 288 HB2 ARG 40 1HB ARG 40 -12.858 0.543 6.076 289 HB3 ARG 40 2HB ARG 40 -13.500 -0.967 6.711 290 HG2 ARG 40 1HG ARG 40 -11.490 0.553 8.304 291 HG3 ARG 40 2HG ARG 40 -13.172 1.089 8.274 292 HD2 ARG 40 1HD ARG 40 -12.230 -1.675 9.029 293 HD3 ARG 40 2HD ARG 40 -12.693 -0.410 10.167 294 HE ARG 40 HE ARG 40 -14.449 -2.081 8.621 295 HH11 ARG 40 1HH1 ARG 40 -14.119 0.950 10.301 296 HH12 ARG 40 2HH1 ARG 40 -15.821 1.134 10.571 297 HH21 ARG 40 1HH2 ARG 40 -16.690 -1.849 8.970 298 HH22 ARG 40 2HH2 ARG 40 -17.282 -0.458 9.814 299 H LYS 41 H LYS 41 -11.520 -0.943 3.698 300 HA LYS 41 HA LYS 41 -13.143 -3.208 3.206 301 HB2 LYS 41 1HB LYS 41 -12.767 -2.796 0.897 302 HB3 LYS 41 2HB LYS 41 -12.816 -1.221 1.676 303 HG2 LYS 41 1HG LYS 41 -10.273 -1.369 1.757 304 HG3 LYS 41 2HG LYS 41 -10.437 -2.709 0.621 305 HD2 LYS 41 1HD LYS 41 -11.876 -0.181 0.011 306 HD3 LYS 41 2HD LYS 41 -10.123 -0.205 -0.196 307 HE2 LYS 41 1HE LYS 41 -10.749 -0.914 -2.269 308 HE3 LYS 41 2HE LYS 41 -10.671 -2.472 -1.448 309 HZ1 LYS 41 1HZ LYS 41 -13.183 -0.920 -1.588 310 HZ2 LYS 41 2HZ LYS 41 -12.981 -2.567 -1.262 311 HZ3 LYS 41 3HZ LYS 41 -12.728 -1.977 -2.828 312 H MET 42 H MET 42 -9.641 -2.677 2.981 313 HA MET 42 HA MET 42 -9.035 -5.296 2.073 314 HB2 MET 42 1HB MET 42 -7.286 -3.271 3.481 315 HB3 MET 42 2HB MET 42 -6.706 -4.727 2.683 316 HG2 MET 42 1HG MET 42 -7.291 -3.919 0.554 317 HG3 MET 42 2HG MET 42 -8.273 -2.623 1.232 318 HE1 MET 42 1HE MET 42 -3.862 -2.811 0.411 319 HE2 MET 42 2HE MET 42 -4.196 -3.560 1.973 320 HE3 MET 42 3HE MET 42 -5.013 -4.144 0.523 321 H MET 43 H MET 43 -8.616 -3.769 5.272 322 HA MET 43 HA MET 43 -7.703 -5.912 6.708 323 HB2 MET 43 1HB MET 43 -9.718 -3.867 7.656 324 HB3 MET 43 2HB MET 43 -8.713 -4.874 8.690 325 HG2 MET 43 1HG MET 43 -6.738 -3.785 7.438 326 HG3 MET 43 2HG MET 43 -7.924 -2.575 6.955 327 HE1 MET 43 1HE MET 43 -8.412 -0.346 9.765 328 HE2 MET 43 2HE MET 43 -8.795 -0.880 8.129 329 HE3 MET 43 3HE MET 43 -9.653 -1.572 9.507 330 H ASP 44 H ASP 44 -10.904 -5.384 5.463 331 HA ASP 44 HA ASP 44 -12.064 -7.528 7.038 332 HB2 ASP 44 1HB ASP 44 -13.121 -5.575 5.020 333 HB3 ASP 44 2HB ASP 44 -14.063 -7.002 5.441 334 H GLU 45 H GLU 45 -11.177 -6.899 3.669 335 HA GLU 45 HA GLU 45 -12.107 -9.373 2.651 336 HB2 GLU 45 1HB GLU 45 -11.728 -7.483 1.177 337 HB3 GLU 45 2HB GLU 45 -10.019 -7.465 1.589 338 HG2 GLU 45 1HG GLU 45 -10.073 -8.501 -0.480 339 HG3 GLU 45 2HG GLU 45 -9.966 -9.847 0.652 340 H PHE 46 H PHE 46 -8.783 -8.256 3.313 341 HA PHE 46 HA PHE 46 -7.771 -10.955 3.126 342 HB2 PHE 46 1HB PHE 46 -6.391 -8.368 3.871 343 HB3 PHE 46 2HB PHE 46 -5.579 -9.910 3.620 344 HD1 PHE 46 1HD PHE 46 -6.020 -11.036 1.298 345 HD2 PHE 46 2HD PHE 46 -6.559 -6.894 2.116 346 HE1 PHE 46 1HE PHE 46 -5.820 -10.540 -1.103 347 HE2 PHE 46 2HE PHE 46 -6.360 -6.390 -0.285 348 HZ PHE 46 HZ PHE 46 -5.990 -8.215 -1.898 349 H GLU 47 H GLU 47 -9.483 -9.497 5.429 350 HA GLU 47 HA GLU 47 -9.678 -9.638 7.702 351 HB2 GLU 47 1HB GLU 47 -8.551 -12.346 6.991 352 HB3 GLU 47 2HB GLU 47 -9.134 -11.945 8.601 353 HG2 GLU 47 1HG GLU 47 -11.340 -11.759 7.894 354 HG3 GLU 47 2HG GLU 47 -10.882 -11.579 6.202 355 H VAL 48 H VAL 48 -7.413 -8.223 6.985 356 HA VAL 48 HA VAL 48 -5.499 -9.036 9.075 357 HB VAL 48 HB VAL 48 -3.715 -7.945 7.782 358 HG11 VAL 48 1HG1 VAL 48 -3.397 -10.049 7.127 359 HG12 VAL 48 2HG1 VAL 48 -5.133 -10.347 7.013 360 HG13 VAL 48 3HG1 VAL 48 -4.269 -9.636 5.649 361 HG21 VAL 48 1HG2 VAL 48 -5.995 -7.197 6.074 362 HG22 VAL 48 2HG2 VAL 48 -4.470 -6.359 6.365 363 HG23 VAL 48 3HG2 VAL 48 -4.535 -7.702 5.222 364 H ASN 49 H ASN 49 -4.008 -6.960 9.513 365 HA ASN 49 HA ASN 49 -5.802 -4.658 9.901 366 HB2 ASN 49 1HB ASN 49 -5.694 -5.589 12.057 367 HB3 ASN 49 2HB ASN 49 -3.990 -6.004 11.889 368 HD21 ASN 49 1HD2 ASN 49 -6.149 -3.196 11.920 369 HD22 ASN 49 2HD2 ASN 49 -5.064 -2.155 12.770 370 H ILE 50 H ILE 50 -5.045 -2.978 8.810 371 HA ILE 50 HA ILE 50 -2.166 -2.769 8.305 372 HB ILE 50 HB ILE 50 -4.497 -1.328 7.035 373 HG12 ILE 50 1HG1 ILE 50 -2.558 -3.353 5.894 374 HG13 ILE 50 2HG1 ILE 50 -4.203 -3.715 6.406 375 HG21 ILE 50 1HG2 ILE 50 -1.552 -1.114 6.421 376 HG22 ILE 50 2HG2 ILE 50 -2.855 -0.369 5.496 377 HG23 ILE 50 3HG2 ILE 50 -2.554 0.136 7.159 378 HD11 ILE 50 1HD1 ILE 50 -4.788 -3.315 4.305 379 HD12 ILE 50 2HD1 ILE 50 -4.516 -1.608 4.656 380 HD13 ILE 50 3HD1 ILE 50 -3.233 -2.575 3.930 381 H HIS 51 H HIS 51 -0.935 -1.189 9.141 382 HA HIS 51 HA HIS 51 -2.285 0.925 10.689 383 HB2 HIS 51 1HB HIS 51 0.084 -0.781 11.347 384 HB3 HIS 51 2HB HIS 51 0.004 0.856 11.992 385 HD1 HIS 51 1HD HIS 51 -0.166 -0.249 14.381 386 HD2 HIS 51 2HD HIS 51 -3.375 -1.001 11.851 387 HE1 HIS 51 1HE HIS 51 -1.999 -1.125 15.862 388 H VAL 52 H VAL 52 -1.763 2.972 10.226 389 HA VAL 52 HA VAL 52 0.440 3.419 8.325 390 HB VAL 52 HB VAL 52 -2.021 5.095 8.838 391 HG11 VAL 52 1HG1 VAL 52 -0.033 5.548 6.640 392 HG12 VAL 52 2HG1 VAL 52 -1.263 6.645 7.269 393 HG13 VAL 52 3HG1 VAL 52 0.173 6.288 8.227 394 HG21 VAL 52 1HG2 VAL 52 -1.956 2.820 7.440 395 HG22 VAL 52 2HG2 VAL 52 -2.968 4.191 6.983 396 HG23 VAL 52 3HG2 VAL 52 -1.417 3.934 6.183 397 HA PRO 53 HA PRO 53 2.615 5.646 11.452 398 HB2 PRO 53 1HB PRO 53 4.305 7.030 9.840 399 HB3 PRO 53 2HB PRO 53 4.489 5.303 10.169 400 HG2 PRO 53 1HG PRO 53 3.272 6.661 7.795 401 HG3 PRO 53 2HG PRO 53 4.362 5.264 7.847 402 HD2 PRO 53 1HD PRO 53 1.688 5.013 7.510 403 HD3 PRO 53 2HD PRO 53 2.660 3.796 8.362 404 H ALA 54 H ALA 54 2.315 7.522 12.511 405 HA ALA 54 HA ALA 54 0.401 9.389 11.708 406 HB1 ALA 54 1HB ALA 54 1.675 10.818 13.540 407 HB2 ALA 54 2HB ALA 54 0.671 9.432 13.969 408 HB3 ALA 54 3HB ALA 54 2.424 9.256 13.876 409 HA PRO 55 HA PRO 55 2.458 12.241 9.081 410 HB2 PRO 55 1HB PRO 55 1.333 14.594 9.834 411 HB3 PRO 55 2HB PRO 55 0.459 13.362 8.916 412 HG2 PRO 55 1HG PRO 55 0.390 13.939 11.853 413 HG3 PRO 55 2HG PRO 55 -0.952 13.575 10.753 414 HD2 PRO 55 1HD PRO 55 0.121 11.719 12.407 415 HD3 PRO 55 2HD PRO 55 -0.555 11.305 10.819 416 H GLU 56 H GLU 56 2.821 12.409 12.472 417 HA GLU 56 HA GLU 56 4.735 14.598 12.396 418 HB2 GLU 56 1HB GLU 56 4.911 14.169 14.853 419 HB3 GLU 56 2HB GLU 56 3.286 14.557 14.306 420 HG2 GLU 56 1HG GLU 56 2.534 12.378 14.590 421 HG3 GLU 56 2HG GLU 56 4.166 11.715 14.602 422 H LEU 57 H LEU 57 4.777 11.312 11.838 423 HA LEU 57 HA LEU 57 7.503 10.936 12.831 424 HB2 LEU 57 1HB LEU 57 5.577 8.981 11.585 425 HB3 LEU 57 2HB LEU 57 7.175 8.579 12.209 426 HG LEU 57 HG LEU 57 4.959 9.694 13.919 427 HD11 LEU 57 1HD1 LEU 57 4.699 7.336 12.723 428 HD12 LEU 57 2HD1 LEU 57 4.178 7.614 14.385 429 HD13 LEU 57 3HD1 LEU 57 5.728 6.837 14.064 430 HD21 LEU 57 1HD2 LEU 57 7.128 8.028 15.016 431 HD22 LEU 57 2HD2 LEU 57 6.354 9.469 15.677 432 HD23 LEU 57 3HD2 LEU 57 7.600 9.625 14.437 433 H GLN 58 H GLN 58 5.704 11.384 9.902 434 HA GLN 58 HA GLN 58 6.318 11.619 7.725 435 HB2 GLN 58 1HB GLN 58 9.056 12.091 8.917 436 HB3 GLN 58 2HB GLN 58 8.568 12.497 7.277 437 HG2 GLN 58 1HG GLN 58 6.877 14.042 8.209 438 HG3 GLN 58 2HG GLN 58 7.500 13.694 9.822 439 HE21 GLN 58 1HE2 GLN 58 7.641 16.161 9.520 440 HE22 GLN 58 2HE2 GLN 58 9.172 16.755 8.984 441 H SER 59 H SER 59 6.257 8.987 8.780 442 HA SER 59 HA SER 59 8.544 7.609 7.616 443 HB2 SER 59 1HB SER 59 7.389 6.973 9.837 444 HB3 SER 59 2HB SER 59 6.130 6.269 8.823 445 HG SER 59 HG SER 59 8.871 5.629 8.525 446 H ASP 60 H ASP 60 8.498 6.394 5.789 447 HA ASP 60 HA ASP 60 6.044 6.562 4.174 448 HB2 ASP 60 1HB ASP 60 8.833 5.998 3.163 449 HB3 ASP 60 2HB ASP 60 7.415 6.442 2.218 450 H ILE 61 H ILE 61 6.862 4.519 6.255 451 HA ILE 61 HA ILE 61 6.565 2.145 4.536 452 HB ILE 61 HB ILE 61 7.840 1.987 7.244 453 HG12 ILE 61 1HG1 ILE 61 9.051 3.683 5.816 454 HG13 ILE 61 2HG1 ILE 61 10.021 2.305 6.321 455 HG21 ILE 61 1HG2 ILE 61 9.027 0.103 5.800 456 HG22 ILE 61 2HG2 ILE 61 7.463 -0.153 6.573 457 HG23 ILE 61 3HG2 ILE 61 7.544 0.253 4.857 458 HD11 ILE 61 1HD1 ILE 61 10.465 2.857 4.014 459 HD12 ILE 61 2HD1 ILE 61 9.677 1.283 4.120 460 HD13 ILE 61 3HD1 ILE 61 8.753 2.699 3.622 461 H ILE 62 H ILE 62 4.628 1.264 4.766 462 HA ILE 62 HA ILE 62 3.067 1.767 7.171 463 HB ILE 62 HB ILE 62 2.397 0.556 4.500 464 HG12 ILE 62 1HG1 ILE 62 1.196 2.901 5.984 465 HG13 ILE 62 2HG1 ILE 62 2.488 3.047 4.797 466 HG21 ILE 62 1HG2 ILE 62 0.000 0.722 5.788 467 HG22 ILE 62 2HG2 ILE 62 0.931 -0.758 5.569 468 HG23 ILE 62 3HG2 ILE 62 1.063 0.151 7.073 469 HD11 ILE 62 1HD1 ILE 62 -0.089 3.345 4.196 470 HD12 ILE 62 2HD1 ILE 62 1.099 2.722 3.050 471 HD13 ILE 62 3HD1 ILE 62 0.061 1.606 3.938 472 H ALA 63 H ALA 63 2.506 0.267 8.662 473 HA ALA 63 HA ALA 63 3.823 -2.343 8.461 474 HB1 ALA 63 1HB ALA 63 2.495 -1.379 10.953 475 HB2 ALA 63 2HB ALA 63 3.910 -2.415 10.759 476 HB3 ALA 63 3HB ALA 63 4.040 -0.682 10.464 477 H ILE 64 H ILE 64 2.700 -4.142 8.106 478 HA ILE 64 HA ILE 64 -0.219 -4.068 8.515 479 HB ILE 64 HB ILE 64 1.245 -5.702 6.442 480 HG12 ILE 64 1HG1 ILE 64 -0.410 -3.198 6.056 481 HG13 ILE 64 2HG1 ILE 64 1.348 -3.256 5.997 482 HG21 ILE 64 1HG2 ILE 64 -1.545 -5.258 5.946 483 HG22 ILE 64 2HG2 ILE 64 -0.669 -6.777 6.122 484 HG23 ILE 64 3HG2 ILE 64 -1.318 -5.964 7.545 485 HD11 ILE 64 1HD1 ILE 64 0.595 -3.264 3.767 486 HD12 ILE 64 2HD1 ILE 64 1.108 -4.916 4.119 487 HD13 ILE 64 3HD1 ILE 64 -0.609 -4.509 4.101 488 H THR 65 H THR 65 -1.044 -5.537 9.854 489 HA THR 65 HA THR 65 0.709 -7.707 10.778 490 HB THR 65 HB THR 65 -1.779 -6.624 12.111 491 HG1 THR 65 1HG THR 65 0.329 -5.308 11.932 492 HG21 THR 65 1HG2 THR 65 -0.450 -9.035 12.496 493 HG22 THR 65 2HG2 THR 65 -1.580 -8.267 13.612 494 HG23 THR 65 3HG2 THR 65 0.153 -7.991 13.783 495 H GLY 66 H GLY 66 0.043 -9.829 10.779 496 HA2 GLY 66 1HA GLY 66 -2.395 -10.965 10.560 497 HA3 GLY 66 2HA GLY 66 -2.066 -10.476 8.905 498 H LEU 67 H LEU 67 -2.460 -13.097 9.370 499 HA LEU 67 HA LEU 67 -0.183 -14.605 10.038 500 HB2 LEU 67 1HB LEU 67 -2.609 -15.206 8.372 501 HB3 LEU 67 2HB LEU 67 -1.341 -16.399 8.646 502 HG LEU 67 HG LEU 67 -3.031 -15.110 10.789 503 HD11 LEU 67 1HD1 LEU 67 -3.089 -17.942 9.767 504 HD12 LEU 67 2HD1 LEU 67 -4.238 -16.691 9.294 505 HD13 LEU 67 3HD1 LEU 67 -4.149 -17.215 10.976 506 HD21 LEU 67 1HD2 LEU 67 -2.012 -16.936 12.189 507 HD22 LEU 67 2HD2 LEU 67 -0.912 -15.640 11.718 508 HD23 LEU 67 3HD2 LEU 67 -0.858 -17.191 10.880 509 H ALA 68 H ALA 68 1.512 -15.368 8.868 510 HA ALA 68 HA ALA 68 2.708 -14.034 6.880 511 HB1 ALA 68 1HB ALA 68 3.830 -15.862 7.924 512 HB2 ALA 68 2HB ALA 68 2.680 -17.021 7.259 513 HB3 ALA 68 3HB ALA 68 3.798 -16.175 6.189 514 H ALA 69 H ALA 69 0.107 -16.365 6.449 515 HA ALA 69 HA ALA 69 0.237 -16.458 3.611 516 HB1 ALA 69 1HB ALA 69 -0.853 -18.276 4.553 517 HB2 ALA 69 2HB ALA 69 -1.813 -17.267 5.637 518 HB3 ALA 69 3HB ALA 69 -2.183 -17.311 3.912 519 H ASN 70 H ASN 70 -1.867 -14.689 5.873 520 HA ASN 70 HA ASN 70 -3.342 -13.332 3.885 521 HB2 ASN 70 1HB ASN 70 -2.839 -12.272 6.663 522 HB3 ASN 70 2HB ASN 70 -4.260 -12.039 5.649 523 HD21 ASN 70 1HD2 ASN 70 -4.668 -12.837 8.157 524 HD22 ASN 70 2HD2 ASN 70 -5.142 -14.497 8.214 525 H LEU 71 H LEU 71 -0.497 -12.397 5.787 526 HA LEU 71 HA LEU 71 -0.199 -9.779 5.001 527 HB2 LEU 71 1HB LEU 71 2.047 -11.764 5.311 528 HB3 LEU 71 2HB LEU 71 2.156 -10.012 5.471 529 HG LEU 71 HG LEU 71 0.494 -11.719 7.311 530 HD11 LEU 71 1HD1 LEU 71 2.328 -12.450 8.312 531 HD12 LEU 71 2HD1 LEU 71 2.832 -10.784 8.597 532 HD13 LEU 71 3HD1 LEU 71 3.330 -11.616 7.124 533 HD21 LEU 71 1HD2 LEU 71 1.221 -8.861 7.106 534 HD22 LEU 71 2HD2 LEU 71 1.220 -9.564 8.724 535 HD23 LEU 71 3HD2 LEU 71 -0.241 -9.622 7.737 536 H ASP 72 H ASP 72 0.600 -12.702 3.224 537 HA ASP 72 HA ASP 72 2.069 -11.484 1.143 538 HB2 ASP 72 1HB ASP 72 0.716 -14.103 1.551 539 HB3 ASP 72 2HB ASP 72 1.098 -13.640 -0.106 540 H ARG 73 H ARG 73 -1.348 -12.475 1.320 541 HA ARG 73 HA ARG 73 -2.092 -11.544 -1.217 542 HB2 ARG 73 1HB ARG 73 -4.057 -11.426 1.023 543 HB3 ARG 73 2HB ARG 73 -4.256 -12.041 -0.613 544 HG2 ARG 73 1HG ARG 73 -2.536 -13.857 0.255 545 HG3 ARG 73 2HG ARG 73 -3.220 -13.392 1.813 546 HD2 ARG 73 1HD ARG 73 -5.456 -13.883 1.004 547 HD3 ARG 73 2HD ARG 73 -4.813 -14.274 -0.590 548 HE ARG 73 HE ARG 73 -3.541 -15.903 1.290 549 HH11 ARG 73 1HH1 ARG 73 -6.705 -15.413 -0.078 550 HH12 ARG 73 2HH1 ARG 73 -7.195 -17.061 0.136 551 HH21 ARG 73 1HH2 ARG 73 -4.176 -18.075 1.577 552 HH22 ARG 73 2HH2 ARG 73 -5.756 -18.575 1.078 553 H ALA 74 H ALA 74 -2.627 -9.996 1.955 554 HA ALA 74 HA ALA 74 -3.652 -7.589 1.025 555 HB1 ALA 74 1HB ALA 74 -2.704 -8.636 3.519 556 HB2 ALA 74 2HB ALA 74 -2.150 -6.973 3.315 557 HB3 ALA 74 3HB ALA 74 -3.870 -7.347 3.219 558 H LYS 75 H LYS 75 -0.296 -8.151 2.112 559 HA LYS 75 HA LYS 75 0.829 -5.766 1.401 560 HB2 LYS 75 1HB LYS 75 1.953 -7.727 2.536 561 HB3 LYS 75 2HB LYS 75 2.183 -8.426 0.938 562 HG2 LYS 75 1HG LYS 75 3.380 -6.258 0.343 563 HG3 LYS 75 2HG LYS 75 3.399 -5.933 2.078 564 HD2 LYS 75 1HD LYS 75 4.861 -7.647 2.519 565 HD3 LYS 75 2HD LYS 75 4.356 -8.583 1.111 566 HE2 LYS 75 1HE LYS 75 5.477 -6.916 -0.340 567 HE3 LYS 75 2HE LYS 75 6.057 -6.092 1.108 568 HZ1 LYS 75 1HZ LYS 75 7.823 -7.436 0.552 569 HZ2 LYS 75 2HZ LYS 75 6.846 -8.714 0.028 570 HZ3 LYS 75 3HZ LYS 75 7.017 -8.402 1.682 571 H ALA 76 H ALA 76 0.241 -8.550 -0.708 572 HA ALA 76 HA ALA 76 1.477 -7.490 -3.012 573 HB1 ALA 76 1HB ALA 76 -0.188 -9.148 -4.159 574 HB2 ALA 76 2HB ALA 76 1.138 -9.758 -3.168 575 HB3 ALA 76 3HB ALA 76 -0.494 -9.670 -2.502 576 H GLY 77 H GLY 77 -1.705 -7.071 -1.620 577 HA2 GLY 77 1HA GLY 77 -2.895 -5.909 -3.950 578 HA3 GLY 77 2HA GLY 77 -3.542 -5.864 -2.316 579 H LEU 78 H LEU 78 -1.498 -4.566 -0.975 580 HA LEU 78 HA LEU 78 -2.072 -1.871 -1.549 581 HB2 LEU 78 1HB LEU 78 -1.264 -3.020 0.638 582 HB3 LEU 78 2HB LEU 78 0.348 -2.702 0.002 583 HG LEU 78 HG LEU 78 -0.312 -0.267 -0.119 584 HD11 LEU 78 1HD1 LEU 78 -2.171 0.424 1.339 585 HD12 LEU 78 2HD1 LEU 78 -2.623 -1.268 1.537 586 HD13 LEU 78 3HD1 LEU 78 -2.715 -0.512 -0.054 587 HD21 LEU 78 1HD2 LEU 78 0.589 0.070 1.925 588 HD22 LEU 78 2HD2 LEU 78 0.859 -1.671 1.844 589 HD23 LEU 78 3HD2 LEU 78 -0.531 -1.035 2.723 590 H LEU 79 H LEU 79 0.943 -3.724 -1.976 591 HA LEU 79 HA LEU 79 2.578 -1.825 -3.046 592 HB2 LEU 79 1HB LEU 79 2.270 -4.722 -3.789 593 HB3 LEU 79 2HB LEU 79 3.556 -3.706 -4.437 594 HG LEU 79 HG LEU 79 3.156 -4.209 -1.492 595 HD11 LEU 79 1HD1 LEU 79 4.262 -5.927 -3.545 596 HD12 LEU 79 2HD1 LEU 79 3.908 -6.271 -1.853 597 HD13 LEU 79 3HD1 LEU 79 5.446 -5.532 -2.299 598 HD21 LEU 79 1HD2 LEU 79 4.636 -2.296 -2.822 599 HD22 LEU 79 2HD2 LEU 79 5.813 -3.563 -2.473 600 HD23 LEU 79 3HD2 LEU 79 4.881 -2.838 -1.161 601 H GLU 80 H GLU 80 0.257 -3.822 -4.864 602 HA GLU 80 HA GLU 80 0.761 -2.636 -7.372 603 HB2 GLU 80 1HB GLU 80 -1.471 -4.277 -6.237 604 HB3 GLU 80 2HB GLU 80 -1.661 -3.529 -7.816 605 HG2 GLU 80 1HG GLU 80 0.651 -4.653 -8.293 606 HG3 GLU 80 2HG GLU 80 0.181 -5.702 -6.957 607 H ARG 81 H ARG 81 -1.576 -1.912 -4.824 608 HA ARG 81 HA ARG 81 -3.058 0.023 -6.228 609 HB2 ARG 81 1HB ARG 81 -3.449 -1.167 -3.899 610 HB3 ARG 81 2HB ARG 81 -2.650 0.273 -3.281 611 HG2 ARG 81 1HG ARG 81 -4.819 0.951 -3.182 612 HG3 ARG 81 2HG ARG 81 -4.409 1.496 -4.810 613 HD2 ARG 81 1HD ARG 81 -5.352 -0.596 -5.714 614 HD3 ARG 81 2HD ARG 81 -5.813 -1.072 -4.081 615 HE ARG 81 HE ARG 81 -7.180 0.769 -5.783 616 HH11 ARG 81 1HH1 ARG 81 -6.491 -0.018 -2.464 617 HH12 ARG 81 2HH1 ARG 81 -7.925 0.738 -1.850 618 HH21 ARG 81 1HH2 ARG 81 -9.071 1.768 -4.989 619 HH22 ARG 81 2HH2 ARG 81 -9.392 1.752 -3.288 620 H VAL 82 H VAL 82 -0.097 0.222 -4.343 621 HA VAL 82 HA VAL 82 0.037 3.062 -4.268 622 HB VAL 82 HB VAL 82 2.201 0.981 -3.942 623 HG11 VAL 82 1HG1 VAL 82 3.048 3.212 -4.689 624 HG12 VAL 82 2HG1 VAL 82 2.353 3.902 -3.221 625 HG13 VAL 82 3HG1 VAL 82 3.636 2.697 -3.108 626 HG21 VAL 82 1HG2 VAL 82 1.568 2.476 -1.586 627 HG22 VAL 82 2HG2 VAL 82 0.091 1.789 -2.260 628 HG23 VAL 82 3HG2 VAL 82 1.451 0.739 -1.864 629 H LYS 83 H LYS 83 1.670 0.627 -6.288 630 HA LYS 83 HA LYS 83 3.163 2.359 -7.869 631 HB2 LYS 83 1HB LYS 83 1.919 -0.299 -8.594 632 HB3 LYS 83 2HB LYS 83 3.133 0.527 -9.562 633 HG2 LYS 83 1HG LYS 83 4.820 0.093 -8.070 634 HG3 LYS 83 2HG LYS 83 3.718 -0.054 -6.701 635 HD2 LYS 83 1HD LYS 83 3.013 -2.210 -7.379 636 HD3 LYS 83 2HD LYS 83 3.760 -2.032 -8.968 637 HE2 LYS 83 1HE LYS 83 5.474 -1.855 -6.537 638 HE3 LYS 83 2HE LYS 83 4.915 -3.439 -7.070 639 HZ1 LYS 83 1HZ LYS 83 7.140 -2.410 -7.958 640 HZ2 LYS 83 2HZ LYS 83 6.104 -1.656 -9.062 641 HZ3 LYS 83 3HZ LYS 83 6.149 -3.343 -8.963 642 H GLU 84 H GLU 84 -0.212 1.433 -8.083 643 HA GLU 84 HA GLU 84 -0.604 2.684 -10.650 644 HB2 GLU 84 1HB GLU 84 -1.963 0.761 -10.037 645 HB3 GLU 84 2HB GLU 84 -2.578 1.613 -8.627 646 HG2 GLU 84 1HG GLU 84 -4.288 1.752 -10.205 647 HG3 GLU 84 2HG GLU 84 -3.500 3.328 -10.256 648 H LEU 85 H LEU 85 -1.658 3.378 -7.319 649 HA LEU 85 HA LEU 85 -3.013 5.737 -7.758 650 HB2 LEU 85 1HB LEU 85 -1.345 4.811 -5.440 651 HB3 LEU 85 2HB LEU 85 -2.209 6.348 -5.410 652 HG LEU 85 HG LEU 85 -3.671 3.788 -5.955 653 HD11 LEU 85 1HD1 LEU 85 -3.222 4.920 -3.204 654 HD12 LEU 85 2HD1 LEU 85 -2.296 3.572 -3.860 655 HD13 LEU 85 3HD1 LEU 85 -4.040 3.420 -3.644 656 HD21 LEU 85 1HD2 LEU 85 -5.284 5.381 -4.486 657 HD22 LEU 85 2HD2 LEU 85 -5.225 5.389 -6.248 658 HD23 LEU 85 3HD2 LEU 85 -4.315 6.590 -5.329 659 H GLN 86 H GLN 86 0.455 5.205 -7.486 660 HA GLN 86 HA GLN 86 1.079 8.017 -7.569 661 HB2 GLN 86 1HB GLN 86 3.372 7.350 -7.496 662 HB3 GLN 86 2HB GLN 86 2.487 6.303 -6.394 663 HG2 GLN 86 1HG GLN 86 2.544 4.497 -7.954 664 HG3 GLN 86 2HG GLN 86 3.214 5.537 -9.210 665 HE21 GLN 86 1HE2 GLN 86 3.871 3.598 -6.464 666 HE22 GLN 86 2HE2 GLN 86 5.590 3.768 -6.475 667 H ALA 87 H ALA 87 0.561 5.485 -9.846 668 HA ALA 87 HA ALA 87 1.950 6.816 -12.010 669 HB1 ALA 87 1HB ALA 87 2.082 4.644 -12.551 670 HB2 ALA 87 2HB ALA 87 0.667 4.215 -11.588 671 HB3 ALA 87 3HB ALA 87 0.462 4.879 -13.209 672 H GLU 88 H GLU 88 -1.201 6.796 -10.634 673 HA GLU 88 HA GLU 88 -2.457 7.877 -13.028 674 HB2 GLU 88 1HB GLU 88 -4.515 7.585 -11.951 675 HB3 GLU 88 2HB GLU 88 -3.555 6.218 -11.402 676 HG2 GLU 88 1HG GLU 88 -3.168 7.237 -9.288 677 HG3 GLU 88 2HG GLU 88 -3.860 8.763 -9.833 678 H GLN 89 H GLN 89 -1.551 8.897 -9.770 679 HA GLN 89 HA GLN 89 -2.643 11.519 -10.007 680 HB2 GLN 89 1HB GLN 89 -1.419 12.002 -7.949 681 HB3 GLN 89 2HB GLN 89 -2.263 10.463 -7.827 682 HG2 GLN 89 1HG GLN 89 -0.246 9.905 -6.929 683 HG3 GLN 89 2HG GLN 89 0.033 9.489 -8.620 684 HE21 GLN 89 1HE2 GLN 89 2.083 10.009 -6.807 685 HE22 GLN 89 2HE2 GLN 89 2.896 11.454 -7.290 686 H GLU 90 H GLU 90 0.160 10.036 -11.225 687 HA GLU 90 HA GLU 90 1.662 12.521 -11.432 688 HB2 GLU 90 1HB GLU 90 3.500 11.240 -12.067 689 HB3 GLU 90 2HB GLU 90 2.654 10.181 -10.946 690 HG2 GLU 90 1HG GLU 90 1.696 8.939 -12.778 691 HG3 GLU 90 2HG GLU 90 2.420 10.047 -13.943 692 H ASP 91 H ASP 91 -0.119 10.272 -13.461 693 HA ASP 91 HA ASP 91 0.614 11.253 -15.973 694 HB2 ASP 91 1HB ASP 91 -1.099 9.959 -16.831 695 HB3 ASP 91 2HB ASP 91 -0.845 9.185 -15.270 696 H ARG 92 H ARG 92 -2.019 12.236 -13.810 697 HA ARG 92 HA ARG 92 -2.936 14.289 -15.604 698 HB2 ARG 92 1HB ARG 92 -4.427 14.916 -13.713 699 HB3 ARG 92 2HB ARG 92 -4.553 13.223 -14.172 700 HG2 ARG 92 1HG ARG 92 -3.156 12.588 -12.287 701 HG3 ARG 92 2HG ARG 92 -2.975 14.285 -11.838 702 HD2 ARG 92 1HD ARG 92 -5.563 12.736 -11.921 703 HD3 ARG 92 2HD ARG 92 -4.667 13.177 -10.468 704 HE ARG 92 HE ARG 92 -6.365 14.885 -12.050 705 HH11 ARG 92 1HH1 ARG 92 -3.767 14.743 -9.737 706 HH12 ARG 92 2HH1 ARG 92 -4.046 16.342 -9.130 707 HH21 ARG 92 1HH2 ARG 92 -6.741 16.992 -11.260 708 HH22 ARG 92 2HH2 ARG 92 -5.738 17.619 -9.997 709 H ALA 93 H ALA 93 -1.022 14.145 -12.640 710 HA ALA 93 HA ALA 93 -0.810 16.900 -12.165 711 HB1 ALA 93 1HB ALA 93 0.828 14.525 -11.394 712 HB2 ALA 93 2HB ALA 93 1.421 16.149 -11.047 713 HB3 ALA 93 3HB ALA 93 -0.121 15.612 -10.381 714 H LEU 94 H LEU 94 1.234 14.711 -14.067 715 HA LEU 94 HA LEU 94 3.377 16.184 -14.730 716 HB2 LEU 94 1HB LEU 94 2.619 13.934 -15.662 717 HB3 LEU 94 2HB LEU 94 1.758 14.862 -16.889 718 HG LEU 94 HG LEU 94 4.178 15.923 -17.220 719 HD11 LEU 94 1HD1 LEU 94 5.906 14.229 -16.989 720 HD12 LEU 94 2HD1 LEU 94 4.746 13.124 -16.253 721 HD13 LEU 94 3HD1 LEU 94 5.196 14.612 -15.421 722 HD21 LEU 94 1HD2 LEU 94 2.888 13.492 -18.359 723 HD22 LEU 94 2HD2 LEU 94 4.530 13.897 -18.858 724 HD23 LEU 94 3HD2 LEU 94 3.221 15.053 -19.111 725 H ARG 95 H ARG 95 0.112 16.706 -15.954 726 HA ARG 95 HA ARG 95 0.325 18.403 -18.000 727 HB2 ARG 95 1HB ARG 95 -1.413 18.685 -15.554 728 HB3 ARG 95 2HB ARG 95 -1.569 19.758 -16.939 729 HG2 ARG 95 1HG ARG 95 -1.902 17.686 -18.346 730 HG3 ARG 95 2HG ARG 95 -2.048 16.795 -16.828 731 HD2 ARG 95 1HD ARG 95 -4.248 17.273 -17.213 732 HD3 ARG 95 2HD ARG 95 -3.789 18.697 -16.280 733 HE ARG 95 HE ARG 95 -3.335 19.402 -18.879 734 HH11 ARG 95 1HH1 ARG 95 -6.074 18.213 -17.090 735 HH12 ARG 95 2HH1 ARG 95 -7.239 19.022 -18.082 736 HH21 ARG 95 1HH2 ARG 95 -4.860 20.474 -20.193 737 HH22 ARG 95 2HH2 ARG 95 -6.548 20.308 -19.848 738 H SER 96 H SER 96 0.534 19.570 -14.633 739 HA SER 96 HA SER 96 1.822 22.012 -15.599 740 HB2 SER 96 1HB SER 96 1.409 22.905 -13.364 741 HB3 SER 96 2HB SER 96 -0.077 22.226 -14.025 742 HG SER 96 HG SER 96 0.104 21.474 -11.955 743 H PHE 97 H PHE 97 3.959 21.942 -15.773 744 HA PHE 97 HA PHE 97 5.486 20.487 -13.716 745 HB2 PHE 97 1HB PHE 97 5.519 19.743 -16.238 746 HB3 PHE 97 2HB PHE 97 6.639 21.091 -16.413 747 HD1 PHE 97 2HD PHE 97 6.083 18.186 -14.134 748 HD2 PHE 97 1HD PHE 97 8.870 20.615 -16.244 749 HE1 PHE 97 2HE PHE 97 7.922 16.755 -13.347 750 HE2 PHE 97 1HE PHE 97 10.714 19.186 -15.461 751 HZ PHE 97 HZ PHE 97 10.241 17.253 -14.010 752 H LYS 98 H LYS 98 7.025 21.557 -12.615 753 HA LYS 98 HA LYS 98 7.601 24.330 -13.434 754 HB2 LYS 98 1HB LYS 98 6.225 24.205 -11.391 755 HB3 LYS 98 2HB LYS 98 7.462 23.216 -10.626 756 HG2 LYS 98 1HG LYS 98 9.008 25.252 -11.193 757 HG3 LYS 98 2HG LYS 98 7.475 26.126 -11.249 758 HD2 LYS 98 1HD LYS 98 7.970 26.383 -9.035 759 HD3 LYS 98 2HD LYS 98 7.091 24.854 -8.957 760 HE2 LYS 98 1HE LYS 98 10.049 24.847 -9.381 761 HE3 LYS 98 2HE LYS 98 9.399 25.107 -7.763 762 HZ1 LYS 98 1HZ LYS 98 9.728 22.818 -7.927 763 HZ2 LYS 98 2HZ LYS 98 9.103 22.731 -9.495 764 HZ3 LYS 98 3HZ LYS 98 8.067 23.008 -8.187 765 H SER 99 H SER 99 8.880 21.462 -11.792 766 HA SER 99 HA SER 99 11.416 22.144 -11.177 767 HB2 SER 99 1HB SER 99 10.377 19.616 -12.446 768 HB3 SER 99 2HB SER 99 12.066 19.781 -11.965 769 HG SER 99 HG SER 99 11.024 18.917 -10.232 770 H GLY 100 H GLY 100 10.342 21.173 -14.431 771 HA2 GLY 100 1HA GLY 100 12.922 22.013 -15.525 772 HA3 GLY 100 2HA GLY 100 11.669 21.132 -16.386 773 HA PRO 101 HA PRO 101 11.499 25.918 -16.954 774 HB2 PRO 101 1HB PRO 101 13.216 26.279 -19.026 775 HB3 PRO 101 2HB PRO 101 13.708 26.419 -17.335 776 HG2 PRO 101 1HG PRO 101 14.043 24.118 -19.220 777 HG3 PRO 101 2HG PRO 101 15.201 24.789 -18.057 778 HD2 PRO 101 1HD PRO 101 13.760 22.553 -17.552 779 HD3 PRO 101 2HD PRO 101 14.243 23.687 -16.275 780 H SER 102 H SER 102 10.387 26.925 -18.682 781 HA SER 102 HA SER 102 9.233 25.017 -20.593 782 HB2 SER 102 1HB SER 102 7.569 26.072 -19.199 783 HB3 SER 102 2HB SER 102 8.213 27.673 -19.563 784 HG SER 102 HG SER 102 7.467 27.498 -21.635 785 H SER 103 H SER 103 10.245 28.433 -20.446 786 HA SER 103 HA SER 103 10.507 28.508 -23.340 787 HB2 SER 103 1HB SER 103 10.545 30.536 -21.147 788 HB3 SER 103 2HB SER 103 11.346 30.933 -22.666 789 HG SER 103 HG SER 103 8.630 30.226 -22.269 790 H GLY 104 H GLY 104 12.390 28.570 -24.463 791 HA2 GLY 104 1HA GLY 104 14.803 29.236 -24.364 792 HA3 GLY 104 2HA GLY 104 14.869 28.304 -22.875 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.535 -39.280 -21.038 2 HA2 GLY 1 1HA GLY 1 6.698 -39.611 -18.678 3 HA3 GLY 1 2HA GLY 1 7.613 -38.234 -19.275 4 H SER 2 H SER 2 6.790 -37.060 -17.446 5 HA SER 2 HA SER 2 4.332 -35.684 -18.083 6 HB2 SER 2 1HB SER 2 4.591 -37.440 -15.652 7 HB3 SER 2 2HB SER 2 3.510 -36.047 -15.659 8 HG SER 2 HG SER 2 2.318 -36.972 -17.253 9 H SER 3 H SER 3 4.764 -33.607 -17.818 10 HA SER 3 HA SER 3 6.929 -32.802 -16.034 11 HB2 SER 3 1HB SER 3 5.459 -31.447 -18.282 12 HB3 SER 3 2HB SER 3 6.445 -30.514 -17.155 13 HG SER 3 HG SER 3 7.332 -31.645 -19.255 14 H GLY 4 H GLY 4 6.683 -31.037 -14.546 15 HA2 GLY 4 1HA GLY 4 5.328 -29.499 -13.314 16 HA3 GLY 4 2HA GLY 4 3.913 -30.444 -13.758 17 H SER 5 H SER 5 5.074 -29.529 -11.123 18 HA SER 5 HA SER 5 4.574 -32.000 -9.714 19 HB2 SER 5 1HB SER 5 7.264 -30.627 -9.531 20 HB3 SER 5 2HB SER 5 6.695 -31.838 -8.383 21 HG SER 5 HG SER 5 7.672 -32.150 -10.925 22 H SER 6 H SER 6 3.467 -31.582 -7.915 23 HA SER 6 HA SER 6 2.455 -29.163 -7.201 24 HB2 SER 6 1HB SER 6 1.602 -31.216 -6.235 25 HB3 SER 6 2HB SER 6 3.116 -31.480 -5.368 26 HG SER 6 HG SER 6 1.006 -30.157 -4.533 27 H GLY 7 H GLY 7 5.259 -30.689 -5.599 28 HA2 GLY 7 1HA GLY 7 7.263 -29.328 -5.247 29 HA3 GLY 7 2HA GLY 7 6.196 -27.969 -4.924 30 H LYS 8 H LYS 8 8.327 -29.108 -3.268 31 HA LYS 8 HA LYS 8 6.979 -30.404 -1.060 32 HB2 LYS 8 1HB LYS 8 9.787 -29.694 -1.740 33 HB3 LYS 8 2HB LYS 8 9.388 -29.864 -0.036 34 HG2 LYS 8 1HG LYS 8 8.502 -32.128 -0.519 35 HG3 LYS 8 2HG LYS 8 9.060 -31.947 -2.184 36 HD2 LYS 8 1HD LYS 8 10.994 -31.487 0.037 37 HD3 LYS 8 2HD LYS 8 10.549 -33.146 -0.373 38 HE2 LYS 8 1HE LYS 8 11.052 -32.324 -2.820 39 HE3 LYS 8 2HE LYS 8 12.021 -31.113 -1.981 40 HZ1 LYS 8 1HZ LYS 8 13.582 -32.706 -2.116 41 HZ2 LYS 8 2HZ LYS 8 12.464 -33.967 -2.268 42 HZ3 LYS 8 3HZ LYS 8 12.814 -33.327 -0.741 43 H GLU 9 H GLU 9 5.899 -29.335 0.448 44 HA GLU 9 HA GLU 9 6.936 -26.839 1.501 45 HB2 GLU 9 1HB GLU 9 4.422 -27.043 -0.092 46 HB3 GLU 9 2HB GLU 9 4.445 -25.961 1.294 47 HG2 GLU 9 1HG GLU 9 6.172 -24.649 0.367 48 HG3 GLU 9 2HG GLU 9 6.518 -25.852 -0.874 49 H ALA 10 H ALA 10 6.449 -26.548 3.620 50 HA ALA 10 HA ALA 10 4.216 -27.798 4.895 51 HB1 ALA 10 1HB ALA 10 6.602 -28.833 6.206 52 HB2 ALA 10 2HB ALA 10 5.101 -29.650 5.772 53 HB3 ALA 10 3HB ALA 10 6.380 -29.462 4.572 54 H LEU 11 H LEU 11 3.612 -26.349 6.352 55 HA LEU 11 HA LEU 11 5.342 -25.363 8.370 56 HB2 LEU 11 1HB LEU 11 6.240 -23.872 6.808 57 HB3 LEU 11 2HB LEU 11 4.671 -23.568 6.065 58 HG LEU 11 HG LEU 11 4.031 -22.405 8.228 59 HD11 LEU 11 1HD1 LEU 11 6.975 -22.153 8.692 60 HD12 LEU 11 2HD1 LEU 11 6.062 -23.480 9.411 61 HD13 LEU 11 3HD1 LEU 11 5.635 -21.811 9.787 62 HD21 LEU 11 1HD2 LEU 11 4.931 -20.343 7.511 63 HD22 LEU 11 2HD2 LEU 11 4.723 -21.316 6.054 64 HD23 LEU 11 3HD2 LEU 11 6.326 -21.124 6.767 65 H GLU 12 H GLU 12 4.233 -23.933 9.882 66 HA GLU 12 HA GLU 12 1.392 -23.528 9.539 67 HB2 GLU 12 1HB GLU 12 0.641 -24.885 11.333 68 HB3 GLU 12 2HB GLU 12 1.669 -25.911 10.343 69 HG2 GLU 12 1HG GLU 12 3.477 -25.704 11.902 70 HG3 GLU 12 2HG GLU 12 2.581 -24.516 12.847 71 H ALA 13 H ALA 13 0.671 -21.826 10.699 72 HA ALA 13 HA ALA 13 2.147 -20.899 13.027 73 HB1 ALA 13 1HB ALA 13 3.394 -19.564 11.685 74 HB2 ALA 13 2HB ALA 13 2.181 -19.529 10.405 75 HB3 ALA 13 3HB ALA 13 1.982 -18.518 11.836 76 H LEU 14 H LEU 14 0.731 -20.323 14.531 77 HA LEU 14 HA LEU 14 -2.044 -19.881 13.799 78 HB2 LEU 14 1HB LEU 14 -0.736 -19.996 16.513 79 HB3 LEU 14 2HB LEU 14 -2.472 -19.953 16.203 80 HG LEU 14 HG LEU 14 -0.641 -22.192 15.341 81 HD11 LEU 14 1HD1 LEU 14 -2.477 -21.988 17.723 82 HD12 LEU 14 2HD1 LEU 14 -0.718 -22.100 17.755 83 HD13 LEU 14 3HD1 LEU 14 -1.677 -23.462 17.177 84 HD21 LEU 14 1HD2 LEU 14 -2.973 -23.333 15.275 85 HD22 LEU 14 2HD2 LEU 14 -2.471 -22.304 13.933 86 HD23 LEU 14 3HD2 LEU 14 -3.582 -21.681 15.155 87 H VAL 15 H VAL 15 0.248 -18.210 15.968 88 HA VAL 15 HA VAL 15 -1.257 -15.808 16.037 89 HB VAL 15 HB VAL 15 0.277 -16.345 17.837 90 HG11 VAL 15 1HG1 VAL 15 2.640 -16.435 17.591 91 HG12 VAL 15 2HG1 VAL 15 1.954 -17.482 16.348 92 HG13 VAL 15 3HG1 VAL 15 2.552 -15.879 15.920 93 HG21 VAL 15 1HG2 VAL 15 1.713 -14.147 17.670 94 HG22 VAL 15 2HG2 VAL 15 0.690 -13.848 16.265 95 HG23 VAL 15 3HG2 VAL 15 -0.040 -14.073 17.854 96 HA PRO 16 HA PRO 16 -0.070 -14.001 12.188 97 HB2 PRO 16 1HB PRO 16 -0.791 -11.442 12.739 98 HB3 PRO 16 2HB PRO 16 -1.965 -12.718 12.390 99 HG2 PRO 16 1HG PRO 16 -1.094 -11.615 15.034 100 HG3 PRO 16 2HG PRO 16 -2.727 -12.024 14.475 101 HD2 PRO 16 1HD PRO 16 -1.286 -13.656 16.086 102 HD3 PRO 16 2HD PRO 16 -2.440 -14.274 14.886 103 H VAL 17 H VAL 17 1.110 -11.881 11.487 104 HA VAL 17 HA VAL 17 3.213 -11.099 13.352 105 HB VAL 17 HB VAL 17 4.920 -11.445 11.472 106 HG11 VAL 17 1HG1 VAL 17 3.730 -13.848 12.853 107 HG12 VAL 17 2HG1 VAL 17 5.349 -13.756 12.160 108 HG13 VAL 17 3HG1 VAL 17 4.918 -12.740 13.536 109 HG21 VAL 17 1HG2 VAL 17 3.978 -12.090 9.537 110 HG22 VAL 17 2HG2 VAL 17 4.010 -13.701 10.254 111 HG23 VAL 17 3HG2 VAL 17 2.540 -12.729 10.333 112 H THR 18 H THR 18 4.306 -9.174 12.764 113 HA THR 18 HA THR 18 2.727 -7.470 10.995 114 HB THR 18 HB THR 18 4.919 -6.739 12.946 115 HG1 THR 18 1HG THR 18 3.328 -6.372 14.351 116 HG21 THR 18 1HG2 THR 18 4.003 -4.422 12.625 117 HG22 THR 18 2HG2 THR 18 3.087 -5.044 11.252 118 HG23 THR 18 3HG2 THR 18 4.850 -5.081 11.227 119 H ILE 19 H ILE 19 3.510 -6.487 9.188 120 HA ILE 19 HA ILE 19 6.276 -7.147 8.408 121 HB ILE 19 HB ILE 19 5.518 -7.206 6.062 122 HG12 ILE 19 1HG1 ILE 19 2.690 -7.290 7.092 123 HG13 ILE 19 2HG1 ILE 19 3.443 -5.772 6.615 124 HG21 ILE 19 1HG2 ILE 19 5.008 -9.132 8.097 125 HG22 ILE 19 2HG2 ILE 19 3.738 -9.244 6.879 126 HG23 ILE 19 3HG2 ILE 19 5.430 -9.396 6.405 127 HD11 ILE 19 1HD1 ILE 19 3.371 -8.119 4.761 128 HD12 ILE 19 2HD1 ILE 19 2.010 -7.005 4.901 129 HD13 ILE 19 3HD1 ILE 19 3.586 -6.409 4.384 130 H GLU 20 H GLU 20 6.838 -5.684 6.366 131 HA GLU 20 HA GLU 20 6.005 -2.925 6.960 132 HB2 GLU 20 1HB GLU 20 8.744 -4.084 6.858 133 HB3 GLU 20 2HB GLU 20 8.521 -2.474 6.188 134 HG2 GLU 20 1HG GLU 20 7.757 -1.622 8.267 135 HG3 GLU 20 2HG GLU 20 7.651 -3.239 8.960 136 H VAL 21 H VAL 21 5.488 -1.719 5.236 137 HA VAL 21 HA VAL 21 6.177 -2.765 2.566 138 HB VAL 21 HB VAL 21 3.657 -1.222 3.135 139 HG11 VAL 21 1HG1 VAL 21 4.342 -1.286 0.821 140 HG12 VAL 21 2HG1 VAL 21 4.520 -3.040 0.887 141 HG13 VAL 21 3HG1 VAL 21 2.922 -2.308 1.039 142 HG21 VAL 21 1HG2 VAL 21 2.447 -3.331 3.236 143 HG22 VAL 21 2HG2 VAL 21 3.961 -4.225 3.103 144 HG23 VAL 21 3HG2 VAL 21 3.641 -3.240 4.531 145 H GLU 22 H GLU 22 6.799 -1.308 1.013 146 HA GLU 22 HA GLU 22 7.638 1.291 1.992 147 HB2 GLU 22 1HB GLU 22 8.170 -0.290 -0.507 148 HB3 GLU 22 2HB GLU 22 8.584 1.416 -0.421 149 HG2 GLU 22 1HG GLU 22 10.242 1.082 1.126 150 HG3 GLU 22 2HG GLU 22 9.521 -0.407 1.737 151 H VAL 23 H VAL 23 6.120 2.824 2.022 152 HA VAL 23 HA VAL 23 4.761 3.473 -0.475 153 HB VAL 23 HB VAL 23 3.301 2.936 2.111 154 HG11 VAL 23 1HG1 VAL 23 1.754 4.430 1.566 155 HG12 VAL 23 2HG1 VAL 23 2.750 4.946 0.204 156 HG13 VAL 23 3HG1 VAL 23 1.547 3.674 -0.014 157 HG21 VAL 23 1HG2 VAL 23 1.891 1.602 0.354 158 HG22 VAL 23 2HG2 VAL 23 3.380 1.666 -0.588 159 HG23 VAL 23 3HG2 VAL 23 3.379 0.917 1.009 160 HA PRO 24 HA PRO 24 5.996 7.495 0.919 161 HB2 PRO 24 1HB PRO 24 4.746 8.913 -1.030 162 HB3 PRO 24 2HB PRO 24 6.241 8.011 -1.307 163 HG2 PRO 24 1HG PRO 24 3.418 7.235 -1.932 164 HG3 PRO 24 2HG PRO 24 4.877 7.040 -2.920 165 HD2 PRO 24 1HD PRO 24 3.803 5.008 -1.489 166 HD3 PRO 24 2HD PRO 24 5.549 5.152 -1.779 167 H PHE 25 H PHE 25 5.153 8.914 2.329 168 HA PHE 25 HA PHE 25 2.570 8.607 3.368 169 HB2 PHE 25 1HB PHE 25 4.554 9.622 4.546 170 HB3 PHE 25 2HB PHE 25 4.283 11.085 3.605 171 HD1 PHE 25 1HD PHE 25 2.108 12.312 3.872 172 HD2 PHE 25 2HD PHE 25 3.319 9.181 6.488 173 HE1 PHE 25 1HE PHE 25 0.490 13.095 5.552 174 HE2 PHE 25 2HE PHE 25 1.703 9.959 8.172 175 HZ PHE 25 HZ PHE 25 0.286 11.918 7.706 176 H ASP 26 H ASP 26 3.586 10.134 0.542 177 HA ASP 26 HA ASP 26 1.636 12.222 0.432 178 HB2 ASP 26 1HB ASP 26 3.117 10.929 -1.866 179 HB3 ASP 26 2HB ASP 26 2.330 12.506 -1.869 180 H LEU 27 H LEU 27 1.440 8.883 0.134 181 HA LEU 27 HA LEU 27 -0.994 9.051 -1.512 182 HB2 LEU 27 1HB LEU 27 0.828 6.726 -0.918 183 HB3 LEU 27 2HB LEU 27 -0.703 6.584 -1.778 184 HG LEU 27 HG LEU 27 1.599 8.274 -2.741 185 HD11 LEU 27 1HD1 LEU 27 2.225 6.507 -4.199 186 HD12 LEU 27 2HD1 LEU 27 0.839 5.529 -3.715 187 HD13 LEU 27 3HD1 LEU 27 2.148 5.831 -2.571 188 HD21 LEU 27 1HD2 LEU 27 -0.499 8.975 -3.657 189 HD22 LEU 27 2HD2 LEU 27 -0.955 7.309 -4.020 190 HD23 LEU 27 3HD2 LEU 27 0.371 8.072 -4.899 191 H HIS 28 H HIS 28 0.260 8.272 1.607 192 HA HIS 28 HA HIS 28 -1.485 6.541 2.738 193 HB2 HIS 28 1HB HIS 28 -0.408 9.113 3.901 194 HB3 HIS 28 2HB HIS 28 -1.267 7.905 4.854 195 HD2 HIS 28 2HD HIS 28 1.084 6.250 2.356 196 HE1 HIS 28 1HE HIS 28 3.172 6.462 6.044 197 HE2 HIS 28 2HE HIS 28 3.189 5.561 3.691 198 H ARG 29 H ARG 29 -2.059 10.064 2.665 199 HA ARG 29 HA ARG 29 -4.584 10.154 3.699 200 HB2 ARG 29 1HB ARG 29 -4.943 12.158 2.193 201 HB3 ARG 29 2HB ARG 29 -3.500 12.202 3.197 202 HG2 ARG 29 1HG ARG 29 -2.109 11.634 1.334 203 HG3 ARG 29 2HG ARG 29 -3.517 11.351 0.310 204 HD2 ARG 29 1HD ARG 29 -2.935 13.469 -0.346 205 HD3 ARG 29 2HD ARG 29 -4.085 13.831 0.941 206 HE ARG 29 HE ARG 29 -1.509 13.679 2.040 207 HH11 ARG 29 1HH1 ARG 29 -3.401 15.694 -0.078 208 HH12 ARG 29 2HH1 ARG 29 -2.538 17.144 0.318 209 HH21 ARG 29 1HH2 ARG 29 -0.366 15.581 2.569 210 HH22 ARG 29 2HH2 ARG 29 -0.813 17.079 1.822 211 H TYR 30 H TYR 30 -3.616 9.051 0.533 212 HA TYR 30 HA TYR 30 -6.343 8.917 -0.442 213 HB2 TYR 30 1HB TYR 30 -3.826 7.838 -1.720 214 HB3 TYR 30 2HB TYR 30 -5.379 8.098 -2.505 215 HD1 TYR 30 2HD TYR 30 -6.046 10.794 -1.383 216 HD2 TYR 30 1HD TYR 30 -2.409 9.245 -2.956 217 HE1 TYR 30 2HE TYR 30 -5.353 13.069 -2.007 218 HE2 TYR 30 1HE TYR 30 -1.706 11.516 -3.584 219 HH TYR 30 HH TYR 30 -3.808 14.319 -2.993 220 H VAL 31 H VAL 31 -3.923 6.796 0.917 221 HA VAL 31 HA VAL 31 -5.202 4.346 0.225 222 HB VAL 31 HB VAL 31 -3.163 4.974 2.362 223 HG11 VAL 31 1HG1 VAL 31 -4.321 2.348 1.462 224 HG12 VAL 31 2HG1 VAL 31 -2.782 2.478 2.317 225 HG13 VAL 31 3HG1 VAL 31 -4.271 3.015 3.093 226 HG21 VAL 31 1HG2 VAL 31 -2.406 5.310 0.050 227 HG22 VAL 31 2HG2 VAL 31 -1.574 3.960 0.824 228 HG23 VAL 31 3HG2 VAL 31 -2.868 3.651 -0.334 229 H ILE 32 H ILE 32 -5.035 6.218 3.252 230 HA ILE 32 HA ILE 32 -6.672 4.558 4.791 231 HB ILE 32 HB ILE 32 -6.435 7.559 5.035 232 HG12 ILE 32 1HG1 ILE 32 -4.761 5.416 6.361 233 HG13 ILE 32 2HG1 ILE 32 -4.237 6.370 4.978 234 HG21 ILE 32 1HG2 ILE 32 -6.649 6.324 7.543 235 HG22 ILE 32 2HG2 ILE 32 -7.847 7.328 6.730 236 HG23 ILE 32 3HG2 ILE 32 -7.879 5.577 6.523 237 HD11 ILE 32 1HD1 ILE 32 -3.470 7.076 7.315 238 HD12 ILE 32 2HD1 ILE 32 -4.089 8.320 6.229 239 HD13 ILE 32 3HD1 ILE 32 -5.113 7.685 7.517 240 H GLY 33 H GLY 33 -7.634 7.700 3.388 241 HA2 GLY 33 1HA GLY 33 -9.616 7.763 1.936 242 HA3 GLY 33 2HA GLY 33 -10.332 6.560 2.998 243 H GLN 34 H GLN 34 -11.949 8.524 2.659 244 HA GLN 34 HA GLN 34 -11.558 10.852 4.207 245 HB2 GLN 34 1HB GLN 34 -13.286 10.416 2.354 246 HB3 GLN 34 2HB GLN 34 -14.253 9.653 3.610 247 HG2 GLN 34 1HG GLN 34 -14.643 11.634 4.707 248 HG3 GLN 34 2HG GLN 34 -13.204 12.407 4.045 249 HE21 GLN 34 1HE2 GLN 34 -13.340 13.517 2.169 250 HE22 GLN 34 2HE2 GLN 34 -14.802 13.740 1.278 251 H LYS 35 H LYS 35 -13.275 7.819 4.890 252 HA LYS 35 HA LYS 35 -13.145 8.501 7.754 253 HB2 LYS 35 1HB LYS 35 -15.352 7.083 6.256 254 HB3 LYS 35 2HB LYS 35 -15.242 7.141 8.010 255 HG2 LYS 35 1HG LYS 35 -15.435 9.566 6.238 256 HG3 LYS 35 2HG LYS 35 -16.804 8.802 7.049 257 HD2 LYS 35 1HD LYS 35 -15.729 9.212 9.220 258 HD3 LYS 35 2HD LYS 35 -14.383 10.002 8.396 259 HE2 LYS 35 1HE LYS 35 -15.693 11.800 9.021 260 HE3 LYS 35 2HE LYS 35 -16.233 11.507 7.369 261 HZ1 LYS 35 1HZ LYS 35 -17.780 9.931 9.081 262 HZ2 LYS 35 2HZ LYS 35 -18.278 11.240 8.132 263 HZ3 LYS 35 3HZ LYS 35 -17.755 11.497 9.720 264 H GLY 36 H GLY 36 -11.100 7.129 6.447 265 HA2 GLY 36 1HA GLY 36 -9.854 5.202 6.551 266 HA3 GLY 36 2HA GLY 36 -10.664 4.949 8.089 267 H SER 37 H SER 37 -12.282 5.048 4.972 268 HA SER 37 HA SER 37 -13.282 2.354 5.455 269 HB2 SER 37 1HB SER 37 -14.830 2.846 3.582 270 HB3 SER 37 2HB SER 37 -14.916 4.063 4.854 271 HG SER 37 HG SER 37 -14.026 5.511 3.556 272 H GLY 38 H GLY 38 -11.300 4.132 3.160 273 HA2 GLY 38 1HA GLY 38 -11.109 2.321 1.080 274 HA3 GLY 38 2HA GLY 38 -9.809 3.393 1.576 275 H ILE 39 H ILE 39 -9.114 2.425 4.024 276 HA ILE 39 HA ILE 39 -7.668 0.055 3.301 277 HB ILE 39 HB ILE 39 -7.794 1.662 5.847 278 HG12 ILE 39 1HG1 ILE 39 -5.632 1.247 3.770 279 HG13 ILE 39 2HG1 ILE 39 -6.602 2.701 3.981 280 HG21 ILE 39 1HG2 ILE 39 -7.418 -0.606 6.522 281 HG22 ILE 39 2HG2 ILE 39 -6.203 -0.829 5.265 282 HG23 ILE 39 3HG2 ILE 39 -5.884 0.261 6.615 283 HD11 ILE 39 1HD1 ILE 39 -5.518 2.356 6.466 284 HD12 ILE 39 2HD1 ILE 39 -4.222 1.814 5.398 285 HD13 ILE 39 3HD1 ILE 39 -4.900 3.431 5.211 286 H ARG 40 H ARG 40 -10.152 0.827 5.730 287 HA ARG 40 HA ARG 40 -10.434 -1.506 7.065 288 HB2 ARG 40 1HB ARG 40 -12.388 0.538 6.142 289 HB3 ARG 40 2HB ARG 40 -13.034 -0.968 6.780 290 HG2 ARG 40 1HG ARG 40 -11.739 -0.613 8.848 291 HG3 ARG 40 2HG ARG 40 -11.191 0.937 8.206 292 HD2 ARG 40 1HD ARG 40 -13.401 1.812 8.207 293 HD3 ARG 40 2HD ARG 40 -14.097 0.224 8.532 294 HE ARG 40 HE ARG 40 -12.305 1.070 10.591 295 HH11 ARG 40 1HH1 ARG 40 -15.552 1.389 9.374 296 HH12 ARG 40 2HH1 ARG 40 -16.229 1.798 10.916 297 HH21 ARG 40 1HH2 ARG 40 -13.184 1.609 12.625 298 HH22 ARG 40 2HH2 ARG 40 -14.880 1.924 12.764 299 H LYS 41 H LYS 41 -11.656 -0.835 3.814 300 HA LYS 41 HA LYS 41 -13.167 -3.079 3.335 301 HB2 LYS 41 1HB LYS 41 -12.938 -1.227 1.741 302 HB3 LYS 41 2HB LYS 41 -11.279 -1.709 1.409 303 HG2 LYS 41 1HG LYS 41 -11.924 -3.589 0.226 304 HG3 LYS 41 2HG LYS 41 -13.520 -3.637 0.978 305 HD2 LYS 41 1HD LYS 41 -13.942 -1.410 -0.214 306 HD3 LYS 41 2HD LYS 41 -12.510 -1.796 -1.171 307 HE2 LYS 41 1HE LYS 41 -14.801 -3.717 -0.879 308 HE3 LYS 41 2HE LYS 41 -14.784 -2.467 -2.122 309 HZ1 LYS 41 1HZ LYS 41 -12.695 -4.549 -1.775 310 HZ2 LYS 41 2HZ LYS 41 -12.752 -3.387 -3.002 311 HZ3 LYS 41 3HZ LYS 41 -13.932 -4.598 -2.929 312 H MET 42 H MET 42 -9.667 -2.738 2.740 313 HA MET 42 HA MET 42 -9.271 -5.428 1.980 314 HB2 MET 42 1HB MET 42 -7.288 -3.449 3.115 315 HB3 MET 42 2HB MET 42 -6.875 -4.956 2.307 316 HG2 MET 42 1HG MET 42 -8.342 -3.888 0.380 317 HG3 MET 42 2HG MET 42 -7.849 -2.397 1.179 318 HE1 MET 42 1HE MET 42 -4.491 -3.751 2.005 319 HE2 MET 42 2HE MET 42 -4.119 -2.332 1.026 320 HE3 MET 42 3HE MET 42 -5.475 -2.295 2.154 321 H MET 43 H MET 43 -8.766 -3.739 5.066 322 HA MET 43 HA MET 43 -7.706 -5.816 6.550 323 HB2 MET 43 1HB MET 43 -9.524 -3.550 7.356 324 HB3 MET 43 2HB MET 43 -8.829 -4.664 8.525 325 HG2 MET 43 1HG MET 43 -6.569 -4.022 7.592 326 HG3 MET 43 2HG MET 43 -7.401 -2.723 6.740 327 HE1 MET 43 1HE MET 43 -9.683 -2.067 8.830 328 HE2 MET 43 2HE MET 43 -8.984 -0.791 9.826 329 HE3 MET 43 3HE MET 43 -8.787 -0.750 8.073 330 H ASP 44 H ASP 44 -10.937 -5.373 5.400 331 HA ASP 44 HA ASP 44 -12.020 -7.418 7.171 332 HB2 ASP 44 1HB ASP 44 -13.160 -5.419 5.285 333 HB3 ASP 44 2HB ASP 44 -14.082 -6.896 5.553 334 H GLU 45 H GLU 45 -10.928 -7.021 3.891 335 HA GLU 45 HA GLU 45 -12.103 -9.464 2.930 336 HB2 GLU 45 1HB GLU 45 -11.722 -7.665 1.363 337 HB3 GLU 45 2HB GLU 45 -10.008 -7.633 1.756 338 HG2 GLU 45 1HG GLU 45 -10.027 -8.774 -0.237 339 HG3 GLU 45 2HG GLU 45 -10.025 -10.087 0.939 340 H PHE 46 H PHE 46 -8.749 -8.412 3.533 341 HA PHE 46 HA PHE 46 -7.776 -11.120 3.353 342 HB2 PHE 46 1HB PHE 46 -6.364 -8.574 4.173 343 HB3 PHE 46 2HB PHE 46 -5.579 -10.120 3.873 344 HD1 PHE 46 1HD PHE 46 -6.014 -11.159 1.515 345 HD2 PHE 46 2HD PHE 46 -6.512 -7.040 2.465 346 HE1 PHE 46 1HE PHE 46 -5.793 -10.586 -0.867 347 HE2 PHE 46 2HE PHE 46 -6.292 -6.460 0.085 348 HZ PHE 46 HZ PHE 46 -5.933 -8.234 -1.586 349 H GLU 47 H GLU 47 -9.282 -9.351 5.733 350 HA GLU 47 HA GLU 47 -9.625 -9.668 7.959 351 HB2 GLU 47 1HB GLU 47 -8.338 -12.323 7.322 352 HB3 GLU 47 2HB GLU 47 -9.032 -11.931 8.888 353 HG2 GLU 47 1HG GLU 47 -11.176 -11.408 7.572 354 HG3 GLU 47 2HG GLU 47 -10.412 -12.306 6.262 355 H VAL 48 H VAL 48 -7.128 -8.459 6.944 356 HA VAL 48 HA VAL 48 -5.301 -9.075 9.169 357 HB VAL 48 HB VAL 48 -3.537 -8.023 7.885 358 HG11 VAL 48 1HG1 VAL 48 -4.346 -9.579 5.651 359 HG12 VAL 48 2HG1 VAL 48 -3.212 -10.002 6.934 360 HG13 VAL 48 3HG1 VAL 48 -4.927 -10.372 7.114 361 HG21 VAL 48 1HG2 VAL 48 -4.637 -6.265 6.753 362 HG22 VAL 48 2HG2 VAL 48 -4.039 -7.347 5.496 363 HG23 VAL 48 3HG2 VAL 48 -5.744 -7.376 5.946 364 H ASN 49 H ASN 49 -3.846 -6.895 9.479 365 HA ASN 49 HA ASN 49 -5.709 -4.657 9.884 366 HB2 ASN 49 1HB ASN 49 -3.822 -5.849 11.922 367 HB3 ASN 49 2HB ASN 49 -4.547 -4.252 12.099 368 HD21 ASN 49 1HD2 ASN 49 -7.021 -4.328 11.657 369 HD22 ASN 49 2HD2 ASN 49 -7.866 -5.571 12.509 370 H ILE 50 H ILE 50 -4.956 -3.021 8.721 371 HA ILE 50 HA ILE 50 -2.072 -2.743 8.309 372 HB ILE 50 HB ILE 50 -4.384 -1.351 6.956 373 HG12 ILE 50 1HG1 ILE 50 -2.457 -3.459 5.955 374 HG13 ILE 50 2HG1 ILE 50 -4.147 -3.728 6.365 375 HG21 ILE 50 1HG2 ILE 50 -1.424 -1.165 6.418 376 HG22 ILE 50 2HG2 ILE 50 -2.689 -0.472 5.405 377 HG23 ILE 50 3HG2 ILE 50 -2.457 0.115 7.052 378 HD11 ILE 50 1HD1 ILE 50 -4.675 -1.987 4.584 379 HD12 ILE 50 2HD1 ILE 50 -3.002 -2.195 4.064 380 HD13 ILE 50 3HD1 ILE 50 -4.110 -3.566 4.042 381 H HIS 51 H HIS 51 -0.901 -1.189 9.243 382 HA HIS 51 HA HIS 51 -2.333 0.977 10.637 383 HB2 HIS 51 1HB HIS 51 -0.100 -0.785 11.516 384 HB3 HIS 51 2HB HIS 51 -0.072 0.893 12.050 385 HD1 HIS 51 1HD HIS 51 -0.455 -1.440 14.044 386 HD2 HIS 51 2HD HIS 51 -3.559 0.720 12.323 387 HE1 HIS 51 1HE HIS 51 -2.408 -1.709 15.605 388 H VAL 52 H VAL 52 -1.790 2.999 10.113 389 HA VAL 52 HA VAL 52 0.588 3.386 8.418 390 HB VAL 52 HB VAL 52 -1.940 5.035 8.572 391 HG11 VAL 52 1HG1 VAL 52 0.270 5.413 6.581 392 HG12 VAL 52 2HG1 VAL 52 -1.039 6.516 7.010 393 HG13 VAL 52 3HG1 VAL 52 0.289 6.240 8.137 394 HG21 VAL 52 1HG2 VAL 52 -2.530 4.162 6.484 395 HG22 VAL 52 2HG2 VAL 52 -0.910 3.533 6.186 396 HG23 VAL 52 3HG2 VAL 52 -1.948 2.762 7.385 397 HA PRO 53 HA PRO 53 2.378 5.818 11.635 398 HB2 PRO 53 1HB PRO 53 4.212 7.149 10.142 399 HB3 PRO 53 2HB PRO 53 4.385 5.446 10.581 400 HG2 PRO 53 1HG PRO 53 3.413 6.652 8.019 401 HG3 PRO 53 2HG PRO 53 4.511 5.281 8.265 402 HD2 PRO 53 1HD PRO 53 1.892 4.958 7.657 403 HD3 PRO 53 2HD PRO 53 2.785 3.808 8.674 404 H ALA 54 H ALA 54 1.864 7.709 12.559 405 HA ALA 54 HA ALA 54 0.048 9.500 11.444 406 HB1 ALA 54 1HB ALA 54 1.285 9.150 13.924 407 HB2 ALA 54 2HB ALA 54 1.671 10.800 13.435 408 HB3 ALA 54 3HB ALA 54 -0.012 10.277 13.524 409 HA PRO 55 HA PRO 55 2.290 12.409 9.043 410 HB2 PRO 55 1HB PRO 55 1.334 14.810 9.877 411 HB3 PRO 55 2HB PRO 55 0.379 13.677 8.912 412 HG2 PRO 55 1HG PRO 55 0.334 14.154 11.867 413 HG3 PRO 55 2HG PRO 55 -1.024 13.928 10.749 414 HD2 PRO 55 1HD PRO 55 -0.099 11.942 12.341 415 HD3 PRO 55 2HD PRO 55 -0.794 11.634 10.736 416 H GLU 56 H GLU 56 2.439 12.767 12.509 417 HA GLU 56 HA GLU 56 4.567 14.699 12.487 418 HB2 GLU 56 1HB GLU 56 4.610 14.418 14.884 419 HB3 GLU 56 2HB GLU 56 2.939 14.523 14.349 420 HG2 GLU 56 1HG GLU 56 2.559 12.245 14.704 421 HG3 GLU 56 2HG GLU 56 4.281 11.881 14.779 422 H LEU 57 H LEU 57 4.328 11.283 12.256 423 HA LEU 57 HA LEU 57 6.996 10.729 13.192 424 HB2 LEU 57 1HB LEU 57 5.014 9.020 11.696 425 HB3 LEU 57 2HB LEU 57 6.547 8.448 12.350 426 HG LEU 57 HG LEU 57 4.347 9.601 14.055 427 HD11 LEU 57 1HD1 LEU 57 4.739 6.747 14.274 428 HD12 LEU 57 2HD1 LEU 57 4.229 7.209 12.651 429 HD13 LEU 57 3HD1 LEU 57 3.252 7.668 14.046 430 HD21 LEU 57 1HD2 LEU 57 6.473 9.695 15.135 431 HD22 LEU 57 2HD2 LEU 57 6.861 8.047 14.643 432 HD23 LEU 57 3HD2 LEU 57 5.583 8.338 15.825 433 H GLN 58 H GLN 58 5.476 11.522 10.183 434 HA GLN 58 HA GLN 58 6.246 11.729 8.048 435 HB2 GLN 58 1HB GLN 58 8.921 12.197 9.366 436 HB3 GLN 58 2HB GLN 58 8.383 12.796 7.802 437 HG2 GLN 58 1HG GLN 58 6.916 14.344 8.775 438 HG3 GLN 58 2HG GLN 58 7.003 13.558 10.351 439 HE21 GLN 58 1HE2 GLN 58 8.310 15.927 8.305 440 HE22 GLN 58 2HE2 GLN 58 9.609 16.435 9.324 441 H SER 59 H SER 59 6.006 9.121 8.676 442 HA SER 59 HA SER 59 8.476 7.851 7.705 443 HB2 SER 59 1HB SER 59 7.339 7.150 9.936 444 HB3 SER 59 2HB SER 59 6.167 6.339 8.898 445 HG SER 59 HG SER 59 7.681 4.960 8.229 446 H ASP 60 H ASP 60 8.416 6.418 5.979 447 HA ASP 60 HA ASP 60 5.970 6.554 4.342 448 HB2 ASP 60 1HB ASP 60 8.779 6.086 3.330 449 HB3 ASP 60 2HB ASP 60 7.340 6.437 2.377 450 H ILE 61 H ILE 61 6.892 4.570 6.447 451 HA ILE 61 HA ILE 61 6.708 2.159 4.760 452 HB ILE 61 HB ILE 61 7.896 2.126 7.516 453 HG12 ILE 61 1HG1 ILE 61 9.107 3.793 6.068 454 HG13 ILE 61 2HG1 ILE 61 10.097 2.448 6.624 455 HG21 ILE 61 1HG2 ILE 61 7.699 -0.053 6.989 456 HG22 ILE 61 2HG2 ILE 61 7.601 0.266 5.258 457 HG23 ILE 61 3HG2 ILE 61 9.171 0.239 6.061 458 HD11 ILE 61 1HD1 ILE 61 8.821 2.630 3.907 459 HD12 ILE 61 2HD1 ILE 61 10.497 3.041 4.273 460 HD13 ILE 61 3HD1 ILE 61 9.931 1.384 4.474 461 H ILE 62 H ILE 62 4.785 1.232 4.925 462 HA ILE 62 HA ILE 62 3.137 1.688 7.282 463 HB ILE 62 HB ILE 62 2.563 0.449 4.599 464 HG12 ILE 62 1HG1 ILE 62 1.281 2.811 5.980 465 HG13 ILE 62 2HG1 ILE 62 2.654 2.959 4.888 466 HG21 ILE 62 1HG2 ILE 62 0.128 0.638 5.796 467 HG22 ILE 62 2HG2 ILE 62 1.072 -0.845 5.664 468 HG23 ILE 62 3HG2 ILE 62 1.143 0.117 7.141 469 HD11 ILE 62 1HD1 ILE 62 0.208 1.550 3.950 470 HD12 ILE 62 2HD1 ILE 62 0.220 3.312 4.027 471 HD13 ILE 62 3HD1 ILE 62 1.407 2.463 3.035 472 H ALA 63 H ALA 63 2.447 0.117 8.679 473 HA ALA 63 HA ALA 63 3.828 -2.472 8.474 474 HB1 ALA 63 1HB ALA 63 3.627 -2.646 10.874 475 HB2 ALA 63 2HB ALA 63 4.364 -1.099 10.453 476 HB3 ALA 63 3HB ALA 63 2.667 -1.167 10.932 477 H ILE 64 H ILE 64 2.680 -4.268 8.171 478 HA ILE 64 HA ILE 64 -0.232 -4.152 8.618 479 HB ILE 64 HB ILE 64 1.164 -5.860 6.560 480 HG12 ILE 64 1HG1 ILE 64 -0.360 -3.279 6.140 481 HG13 ILE 64 2HG1 ILE 64 1.391 -3.436 6.062 482 HG21 ILE 64 1HG2 ILE 64 -1.477 -5.834 7.642 483 HG22 ILE 64 2HG2 ILE 64 -1.544 -5.376 5.941 484 HG23 ILE 64 3HG2 ILE 64 -0.791 -6.899 6.413 485 HD11 ILE 64 1HD1 ILE 64 -0.632 -4.690 4.228 486 HD12 ILE 64 2HD1 ILE 64 0.532 -3.423 3.842 487 HD13 ILE 64 3HD1 ILE 64 1.092 -5.056 4.200 488 H THR 65 H THR 65 -1.080 -5.619 9.949 489 HA THR 65 HA THR 65 0.667 -7.775 10.914 490 HB THR 65 HB THR 65 -1.839 -6.683 12.206 491 HG1 THR 65 1HG THR 65 -0.079 -5.903 13.724 492 HG21 THR 65 1HG2 THR 65 -1.490 -8.119 13.954 493 HG22 THR 65 2HG2 THR 65 0.250 -8.206 13.677 494 HG23 THR 65 3HG2 THR 65 -0.854 -9.108 12.640 495 H GLY 66 H GLY 66 0.073 -9.891 10.802 496 HA2 GLY 66 1HA GLY 66 -2.366 -11.062 10.623 497 HA3 GLY 66 2HA GLY 66 -2.055 -10.555 8.970 498 H LEU 67 H LEU 67 -2.398 -13.148 9.247 499 HA LEU 67 HA LEU 67 -0.079 -14.634 9.927 500 HB2 LEU 67 1HB LEU 67 -2.424 -15.365 8.180 501 HB3 LEU 67 2HB LEU 67 -1.204 -16.496 8.764 502 HG LEU 67 HG LEU 67 -3.037 -14.922 10.569 503 HD11 LEU 67 1HD1 LEU 67 -4.667 -16.314 10.000 504 HD12 LEU 67 2HD1 LEU 67 -3.697 -17.640 10.640 505 HD13 LEU 67 3HD1 LEU 67 -3.592 -17.216 8.931 506 HD21 LEU 67 1HD2 LEU 67 -1.971 -15.870 12.287 507 HD22 LEU 67 2HD2 LEU 67 -0.681 -16.213 11.134 508 HD23 LEU 67 3HD2 LEU 67 -1.896 -17.443 11.491 509 H ALA 68 H ALA 68 1.596 -15.355 8.706 510 HA ALA 68 HA ALA 68 2.710 -13.992 6.693 511 HB1 ALA 68 1HB ALA 68 3.795 -16.127 5.941 512 HB2 ALA 68 2HB ALA 68 3.905 -15.799 7.671 513 HB3 ALA 68 3HB ALA 68 2.740 -16.978 7.069 514 H ALA 69 H ALA 69 0.257 -16.509 6.264 515 HA ALA 69 HA ALA 69 0.269 -16.519 3.444 516 HB1 ALA 69 1HB ALA 69 -2.332 -17.119 4.549 517 HB2 ALA 69 2HB ALA 69 -1.192 -18.174 3.711 518 HB3 ALA 69 3HB ALA 69 -1.046 -17.923 5.450 519 H ASN 70 H ASN 70 -1.691 -14.730 5.799 520 HA ASN 70 HA ASN 70 -3.311 -13.430 3.862 521 HB2 ASN 70 1HB ASN 70 -2.703 -12.484 6.668 522 HB3 ASN 70 2HB ASN 70 -4.103 -12.064 5.685 523 HD21 ASN 70 1HD2 ASN 70 -4.470 -13.033 8.183 524 HD22 ASN 70 2HD2 ASN 70 -5.121 -14.633 8.116 525 H LEU 71 H LEU 71 -0.475 -12.378 5.731 526 HA LEU 71 HA LEU 71 -0.243 -9.779 4.906 527 HB2 LEU 71 1HB LEU 71 2.059 -11.706 5.168 528 HB3 LEU 71 2HB LEU 71 2.130 -9.952 5.317 529 HG LEU 71 HG LEU 71 0.478 -11.600 7.202 530 HD11 LEU 71 1HD1 LEU 71 3.125 -10.793 8.149 531 HD12 LEU 71 2HD1 LEU 71 3.150 -12.054 6.916 532 HD13 LEU 71 3HD1 LEU 71 2.233 -12.293 8.404 533 HD21 LEU 71 1HD2 LEU 71 1.103 -8.828 6.858 534 HD22 LEU 71 2HD2 LEU 71 1.718 -9.384 8.414 535 HD23 LEU 71 3HD2 LEU 71 0.011 -9.589 8.015 536 H ASP 72 H ASP 72 0.805 -12.680 3.173 537 HA ASP 72 HA ASP 72 2.115 -11.432 1.043 538 HB2 ASP 72 1HB ASP 72 0.853 -14.089 1.484 539 HB3 ASP 72 2HB ASP 72 1.195 -13.625 -0.180 540 H ARG 73 H ARG 73 -1.271 -12.500 1.300 541 HA ARG 73 HA ARG 73 -2.052 -11.559 -1.244 542 HB2 ARG 73 1HB ARG 73 -4.031 -11.665 0.983 543 HB3 ARG 73 2HB ARG 73 -4.180 -12.223 -0.678 544 HG2 ARG 73 1HG ARG 73 -2.349 -13.956 0.131 545 HG3 ARG 73 2HG ARG 73 -3.078 -13.605 1.699 546 HD2 ARG 73 1HD ARG 73 -5.129 -14.467 1.086 547 HD3 ARG 73 2HD ARG 73 -4.832 -14.224 -0.635 548 HE ARG 73 HE ARG 73 -3.004 -16.115 0.319 549 HH11 ARG 73 1HH1 ARG 73 -6.425 -15.772 -0.232 550 HH12 ARG 73 2HH1 ARG 73 -6.680 -17.462 -0.515 551 HH21 ARG 73 1HH2 ARG 73 -3.328 -18.342 -0.052 552 HH22 ARG 73 2HH2 ARG 73 -4.919 -18.923 -0.412 553 H ALA 74 H ALA 74 -2.630 -10.181 1.995 554 HA ALA 74 HA ALA 74 -3.832 -7.809 1.171 555 HB1 ALA 74 1HB ALA 74 -2.711 -8.868 3.620 556 HB2 ALA 74 2HB ALA 74 -2.434 -7.132 3.469 557 HB3 ALA 74 3HB ALA 74 -4.075 -7.774 3.382 558 H LYS 75 H LYS 75 -0.431 -8.252 2.164 559 HA LYS 75 HA LYS 75 0.569 -5.778 1.618 560 HB2 LYS 75 1HB LYS 75 1.842 -7.718 2.556 561 HB3 LYS 75 2HB LYS 75 1.982 -8.358 0.922 562 HG2 LYS 75 1HG LYS 75 3.223 -6.371 0.242 563 HG3 LYS 75 2HG LYS 75 3.076 -5.718 1.876 564 HD2 LYS 75 1HD LYS 75 4.357 -7.578 2.763 565 HD3 LYS 75 2HD LYS 75 4.438 -8.316 1.161 566 HE2 LYS 75 1HE LYS 75 5.688 -6.366 0.344 567 HE3 LYS 75 2HE LYS 75 5.623 -5.657 1.957 568 HZ1 LYS 75 1HZ LYS 75 6.958 -7.407 2.814 569 HZ2 LYS 75 2HZ LYS 75 7.732 -6.829 1.426 570 HZ3 LYS 75 3HZ LYS 75 6.870 -8.284 1.369 571 H ALA 76 H ALA 76 0.077 -8.405 -0.712 572 HA ALA 76 HA ALA 76 1.194 -7.189 -2.957 573 HB1 ALA 76 1HB ALA 76 0.638 -9.153 -3.821 574 HB2 ALA 76 2HB ALA 76 -0.351 -9.508 -2.405 575 HB3 ALA 76 3HB ALA 76 -1.063 -8.687 -3.794 576 H GLY 77 H GLY 77 -1.997 -6.827 -1.512 577 HA2 GLY 77 1HA GLY 77 -3.215 -5.420 -3.634 578 HA3 GLY 77 2HA GLY 77 -3.719 -5.374 -1.951 579 H LEU 78 H LEU 78 -1.606 -4.225 -0.691 580 HA LEU 78 HA LEU 78 -1.976 -1.494 -1.224 581 HB2 LEU 78 1HB LEU 78 -1.140 -2.769 0.906 582 HB3 LEU 78 2HB LEU 78 0.452 -2.478 0.208 583 HG LEU 78 HG LEU 78 -0.042 -0.043 0.231 584 HD11 LEU 78 1HD1 LEU 78 -2.022 0.812 0.809 585 HD12 LEU 78 2HD1 LEU 78 -2.210 -0.297 2.167 586 HD13 LEU 78 3HD1 LEU 78 -2.650 -0.815 0.540 587 HD21 LEU 78 1HD2 LEU 78 1.098 -1.387 2.103 588 HD22 LEU 78 2HD2 LEU 78 -0.407 -1.154 2.992 589 HD23 LEU 78 3HD2 LEU 78 0.534 0.244 2.470 590 H LEU 79 H LEU 79 0.863 -3.569 -1.803 591 HA LEU 79 HA LEU 79 2.574 -1.753 -2.935 592 HB2 LEU 79 1HB LEU 79 2.094 -4.644 -3.604 593 HB3 LEU 79 2HB LEU 79 3.397 -3.708 -4.332 594 HG LEU 79 HG LEU 79 3.087 -4.219 -1.375 595 HD11 LEU 79 1HD1 LEU 79 5.360 -5.393 -2.784 596 HD12 LEU 79 2HD1 LEU 79 3.800 -6.066 -3.255 597 HD13 LEU 79 3HD1 LEU 79 4.296 -6.089 -1.563 598 HD21 LEU 79 1HD2 LEU 79 4.263 -2.154 -1.849 599 HD22 LEU 79 2HD2 LEU 79 5.318 -2.988 -2.990 600 HD23 LEU 79 3HD2 LEU 79 5.396 -3.375 -1.271 601 H GLU 80 H GLU 80 0.181 -3.727 -4.694 602 HA GLU 80 HA GLU 80 0.634 -2.526 -7.205 603 HB2 GLU 80 1HB GLU 80 -1.607 -4.152 -6.046 604 HB3 GLU 80 2HB GLU 80 -1.764 -3.437 -7.644 605 HG2 GLU 80 1HG GLU 80 0.591 -4.600 -7.985 606 HG3 GLU 80 2HG GLU 80 -0.029 -5.651 -6.714 607 H ARG 81 H ARG 81 -1.507 -1.733 -4.538 608 HA ARG 81 HA ARG 81 -3.122 0.142 -5.889 609 HB2 ARG 81 1HB ARG 81 -3.326 -0.975 -3.502 610 HB3 ARG 81 2HB ARG 81 -2.486 0.482 -2.992 611 HG2 ARG 81 1HG ARG 81 -4.681 1.096 -2.731 612 HG3 ARG 81 2HG ARG 81 -4.340 1.700 -4.355 613 HD2 ARG 81 1HD ARG 81 -5.333 -0.322 -5.311 614 HD3 ARG 81 2HD ARG 81 -5.671 -0.924 -3.688 615 HE ARG 81 HE ARG 81 -6.887 1.534 -3.822 616 HH11 ARG 81 1HH1 ARG 81 -7.076 -1.458 -5.592 617 HH12 ARG 81 2HH1 ARG 81 -8.745 -1.255 -6.013 618 HH21 ARG 81 1HH2 ARG 81 -9.084 1.812 -4.368 619 HH22 ARG 81 2HH2 ARG 81 -9.886 0.606 -5.317 620 H VAL 82 H VAL 82 0.026 0.365 -4.389 621 HA VAL 82 HA VAL 82 0.144 3.220 -4.351 622 HB VAL 82 HB VAL 82 2.272 1.100 -4.111 623 HG11 VAL 82 1HG1 VAL 82 3.300 3.526 -3.176 624 HG12 VAL 82 2HG1 VAL 82 3.810 2.628 -4.607 625 HG13 VAL 82 3HG1 VAL 82 2.585 3.890 -4.745 626 HG21 VAL 82 1HG2 VAL 82 0.414 1.995 -2.306 627 HG22 VAL 82 2HG2 VAL 82 1.940 1.211 -1.900 628 HG23 VAL 82 3HG2 VAL 82 1.828 2.972 -1.916 629 H LYS 83 H LYS 83 1.500 0.722 -6.485 630 HA LYS 83 HA LYS 83 2.831 2.454 -8.245 631 HB2 LYS 83 1HB LYS 83 1.611 -0.244 -8.860 632 HB3 LYS 83 2HB LYS 83 2.846 0.573 -9.810 633 HG2 LYS 83 1HG LYS 83 4.505 0.127 -8.295 634 HG3 LYS 83 2HG LYS 83 3.384 0.012 -6.937 635 HD2 LYS 83 1HD LYS 83 2.738 -2.154 -7.494 636 HD3 LYS 83 2HD LYS 83 3.304 -1.997 -9.159 637 HE2 LYS 83 1HE LYS 83 5.642 -1.730 -8.067 638 HE3 LYS 83 2HE LYS 83 4.880 -2.462 -6.657 639 HZ1 LYS 83 1HZ LYS 83 5.194 -3.639 -9.357 640 HZ2 LYS 83 2HZ LYS 83 4.175 -4.301 -8.182 641 HZ3 LYS 83 3HZ LYS 83 5.839 -4.204 -7.899 642 H GLU 84 H GLU 84 -0.512 1.475 -8.030 643 HA GLU 84 HA GLU 84 -1.184 2.604 -10.615 644 HB2 GLU 84 1HB GLU 84 -2.279 0.562 -9.357 645 HB3 GLU 84 2HB GLU 84 -3.245 1.818 -8.596 646 HG2 GLU 84 1HG GLU 84 -3.011 1.351 -11.560 647 HG3 GLU 84 2HG GLU 84 -4.356 0.841 -10.541 648 H LEU 85 H LEU 85 -1.763 3.339 -7.195 649 HA LEU 85 HA LEU 85 -3.392 5.567 -7.493 650 HB2 LEU 85 1HB LEU 85 -1.416 4.736 -5.408 651 HB3 LEU 85 2HB LEU 85 -2.224 6.298 -5.293 652 HG LEU 85 HG LEU 85 -3.794 3.753 -5.550 653 HD11 LEU 85 1HD1 LEU 85 -3.124 3.074 -3.548 654 HD12 LEU 85 2HD1 LEU 85 -3.804 4.550 -2.863 655 HD13 LEU 85 3HD1 LEU 85 -2.110 4.505 -3.351 656 HD21 LEU 85 1HD2 LEU 85 -5.320 5.410 -5.764 657 HD22 LEU 85 2HD2 LEU 85 -4.317 6.595 -4.925 658 HD23 LEU 85 3HD2 LEU 85 -5.231 5.400 -4.002 659 H GLN 86 H GLN 86 0.158 5.457 -7.222 660 HA GLN 86 HA GLN 86 0.620 8.198 -7.479 661 HB2 GLN 86 1HB GLN 86 2.902 7.625 -8.004 662 HB3 GLN 86 2HB GLN 86 2.312 6.522 -6.767 663 HG2 GLN 86 1HG GLN 86 1.943 4.808 -8.467 664 HG3 GLN 86 2HG GLN 86 2.537 5.914 -9.706 665 HE21 GLN 86 1HE2 GLN 86 3.552 4.679 -6.534 666 HE22 GLN 86 2HE2 GLN 86 5.195 4.388 -6.985 667 H ALA 87 H ALA 87 0.120 5.709 -9.906 668 HA ALA 87 HA ALA 87 0.934 7.155 -12.170 669 HB1 ALA 87 1HB ALA 87 -1.127 5.516 -13.039 670 HB2 ALA 87 2HB ALA 87 0.587 5.107 -12.968 671 HB3 ALA 87 3HB ALA 87 -0.475 4.687 -11.625 672 H GLU 88 H GLU 88 -1.928 7.339 -10.228 673 HA GLU 88 HA GLU 88 -3.391 8.856 -12.236 674 HB2 GLU 88 1HB GLU 88 -4.156 8.145 -9.399 675 HB3 GLU 88 2HB GLU 88 -5.214 8.877 -10.598 676 HG2 GLU 88 1HG GLU 88 -4.016 6.119 -10.672 677 HG3 GLU 88 2HG GLU 88 -5.712 6.545 -10.442 678 H GLN 89 H GLN 89 -2.415 9.382 -8.843 679 HA GLN 89 HA GLN 89 -3.012 12.058 -8.635 680 HB2 GLN 89 1HB GLN 89 -1.620 12.128 -6.748 681 HB3 GLN 89 2HB GLN 89 -2.124 10.447 -6.848 682 HG2 GLN 89 1HG GLN 89 0.089 10.142 -6.480 683 HG3 GLN 89 2HG GLN 89 0.112 10.237 -8.241 684 HE21 GLN 89 1HE2 GLN 89 2.190 10.843 -6.259 685 HE22 GLN 89 2HE2 GLN 89 2.666 12.476 -6.564 686 H GLU 90 H GLU 90 -0.393 10.551 -10.345 687 HA GLU 90 HA GLU 90 1.035 13.057 -10.706 688 HB2 GLU 90 1HB GLU 90 1.556 10.266 -11.739 689 HB3 GLU 90 2HB GLU 90 2.581 11.650 -12.089 690 HG2 GLU 90 1HG GLU 90 3.007 11.921 -9.686 691 HG3 GLU 90 2HG GLU 90 2.022 10.493 -9.367 692 H ASP 91 H ASP 91 -0.909 10.795 -12.594 693 HA ASP 91 HA ASP 91 -0.596 11.648 -15.147 694 HB2 ASP 91 1HB ASP 91 -2.165 9.864 -14.435 695 HB3 ASP 91 2HB ASP 91 -3.274 11.101 -13.848 696 H ARG 92 H ARG 92 -2.806 13.145 -12.787 697 HA ARG 92 HA ARG 92 -3.842 15.164 -14.339 698 HB2 ARG 92 1HB ARG 92 -3.900 16.482 -12.120 699 HB3 ARG 92 2HB ARG 92 -4.775 14.959 -12.209 700 HG2 ARG 92 1HG ARG 92 -3.038 13.822 -11.012 701 HG3 ARG 92 2HG ARG 92 -2.013 15.258 -11.055 702 HD2 ARG 92 1HD ARG 92 -2.948 15.244 -8.902 703 HD3 ARG 92 2HD ARG 92 -3.887 16.436 -9.800 704 HE ARG 92 HE ARG 92 -5.130 13.908 -9.963 705 HH11 ARG 92 1HH1 ARG 92 -4.538 16.511 -7.728 706 HH12 ARG 92 2HH1 ARG 92 -5.961 16.203 -6.789 707 HH21 ARG 92 1HH2 ARG 92 -7.007 13.492 -8.735 708 HH22 ARG 92 2HH2 ARG 92 -7.365 14.485 -7.363 709 H ALA 93 H ALA 93 -0.693 14.978 -12.805 710 HA ALA 93 HA ALA 93 -0.015 17.713 -13.459 711 HB1 ALA 93 1HB ALA 93 1.320 17.364 -11.715 712 HB2 ALA 93 2HB ALA 93 1.080 15.619 -11.799 713 HB3 ALA 93 3HB ALA 93 2.331 16.385 -12.777 714 H LEU 94 H LEU 94 0.726 14.479 -14.663 715 HA LEU 94 HA LEU 94 2.753 15.078 -16.455 716 HB2 LEU 94 1HB LEU 94 2.084 12.806 -15.931 717 HB3 LEU 94 2HB LEU 94 0.529 13.060 -16.720 718 HG LEU 94 HG LEU 94 1.476 13.008 -18.861 719 HD11 LEU 94 1HD1 LEU 94 4.022 13.642 -17.442 720 HD12 LEU 94 2HD1 LEU 94 3.300 14.405 -18.859 721 HD13 LEU 94 3HD1 LEU 94 4.076 12.829 -19.007 722 HD21 LEU 94 1HD2 LEU 94 1.467 10.792 -18.412 723 HD22 LEU 94 2HD2 LEU 94 2.457 10.967 -16.963 724 HD23 LEU 94 3HD2 LEU 94 3.213 10.989 -18.558 725 H ARG 95 H ARG 95 -0.746 14.925 -17.131 726 HA ARG 95 HA ARG 95 -2.036 15.939 -18.706 727 HB2 ARG 95 1HB ARG 95 0.223 17.852 -18.368 728 HB3 ARG 95 2HB ARG 95 -0.851 18.086 -19.740 729 HG2 ARG 95 1HG ARG 95 -2.702 18.482 -18.378 730 HG3 ARG 95 2HG ARG 95 -1.925 17.772 -16.962 731 HD2 ARG 95 1HD ARG 95 -0.892 20.255 -18.308 732 HD3 ARG 95 2HD ARG 95 -2.098 20.305 -17.022 733 HE ARG 95 HE ARG 95 0.017 18.781 -16.081 734 HH11 ARG 95 1HH1 ARG 95 -0.538 22.053 -17.133 735 HH12 ARG 95 2HH1 ARG 95 0.686 22.727 -16.109 736 HH21 ARG 95 1HH2 ARG 95 1.630 19.657 -14.728 737 HH22 ARG 95 2HH2 ARG 95 1.919 21.363 -14.743 738 H SER 96 H SER 96 -0.450 13.772 -19.519 739 HA SER 96 HA SER 96 0.169 14.511 -22.305 740 HB2 SER 96 1HB SER 96 2.100 13.710 -20.799 741 HB3 SER 96 2HB SER 96 1.350 12.118 -20.904 742 HG SER 96 HG SER 96 1.458 12.477 -23.263 743 H PHE 97 H PHE 97 -1.723 14.021 -23.299 744 HA PHE 97 HA PHE 97 -3.494 11.985 -22.707 745 HB2 PHE 97 1HB PHE 97 -3.693 13.940 -24.398 746 HB3 PHE 97 2HB PHE 97 -2.978 12.816 -25.550 747 HD1 PHE 97 1HD PHE 97 -4.167 10.695 -26.089 748 HD2 PHE 97 2HD PHE 97 -5.961 13.786 -23.777 749 HE1 PHE 97 1HE PHE 97 -6.386 9.726 -26.520 750 HE2 PHE 97 2HE PHE 97 -8.182 12.820 -24.203 751 HZ PHE 97 HZ PHE 97 -8.397 10.787 -25.575 752 H LYS 98 H LYS 98 -3.291 9.857 -22.711 753 HA LYS 98 HA LYS 98 -1.713 8.559 -24.803 754 HB2 LYS 98 1HB LYS 98 -0.405 8.928 -22.578 755 HB3 LYS 98 2HB LYS 98 -1.414 7.624 -21.966 756 HG2 LYS 98 1HG LYS 98 -0.607 6.235 -23.900 757 HG3 LYS 98 2HG LYS 98 0.558 7.519 -24.232 758 HD2 LYS 98 1HD LYS 98 1.107 7.205 -21.667 759 HD3 LYS 98 2HD LYS 98 0.435 5.599 -21.959 760 HE2 LYS 98 1HE LYS 98 2.765 5.417 -22.317 761 HE3 LYS 98 2HE LYS 98 2.020 5.426 -23.915 762 HZ1 LYS 98 1HZ LYS 98 3.471 7.631 -22.571 763 HZ2 LYS 98 2HZ LYS 98 2.502 7.883 -23.935 764 HZ3 LYS 98 3HZ LYS 98 3.854 6.870 -24.033 765 H SER 99 H SER 99 -2.179 6.267 -25.025 766 HA SER 99 HA SER 99 -4.904 5.631 -24.110 767 HB2 SER 99 1HB SER 99 -4.734 5.810 -26.535 768 HB3 SER 99 2HB SER 99 -3.399 4.657 -26.551 769 HG SER 99 HG SER 99 -4.880 3.103 -25.689 770 H GLY 100 H GLY 100 -5.302 3.784 -23.010 771 HA2 GLY 100 1HA GLY 100 -3.047 1.911 -22.653 772 HA3 GLY 100 2HA GLY 100 -4.006 2.466 -21.289 773 HA PRO 101 HA PRO 101 -6.706 -0.511 -24.037 774 HB2 PRO 101 1HB PRO 101 -5.257 -2.256 -25.528 775 HB3 PRO 101 2HB PRO 101 -5.810 -0.695 -26.145 776 HG2 PRO 101 1HG PRO 101 -3.121 -1.465 -25.076 777 HG3 PRO 101 2HG PRO 101 -3.521 -0.482 -26.498 778 HD2 PRO 101 1HD PRO 101 -2.765 0.610 -24.138 779 HD3 PRO 101 2HD PRO 101 -3.906 1.408 -25.239 780 H SER 102 H SER 102 -7.377 -1.755 -22.400 781 HA SER 102 HA SER 102 -5.670 -3.227 -20.695 782 HB2 SER 102 1HB SER 102 -7.670 -4.057 -19.662 783 HB3 SER 102 2HB SER 102 -7.979 -2.383 -20.121 784 HG SER 102 HG SER 102 -9.376 -4.498 -20.791 785 H SER 103 H SER 103 -6.295 -5.674 -20.300 786 HA SER 103 HA SER 103 -5.920 -7.028 -22.884 787 HB2 SER 103 1HB SER 103 -4.908 -7.606 -20.118 788 HB3 SER 103 2HB SER 103 -5.038 -8.907 -21.300 789 HG SER 103 HG SER 103 -3.194 -8.207 -22.007 790 H GLY 104 H GLY 104 -6.614 -9.455 -22.699 791 HA2 GLY 104 1HA GLY 104 -9.356 -9.463 -21.598 792 HA3 GLY 104 2HA GLY 104 -8.879 -10.308 -23.062 Start of MODEL 6 1 H1 GLY 1 H GLY 1 20.762 1.227 0.925 2 HA2 GLY 1 1HA GLY 1 21.143 1.738 -1.938 3 HA3 GLY 1 2HA GLY 1 22.418 1.442 -0.766 4 H SER 2 H SER 2 19.523 -0.269 -1.963 5 HA SER 2 HA SER 2 21.223 -2.644 -2.347 6 HB2 SER 2 1HB SER 2 18.343 -2.695 -1.416 7 HB3 SER 2 2HB SER 2 19.430 -4.074 -1.579 8 HG SER 2 HG SER 2 20.759 -2.629 -0.018 9 H SER 3 H SER 3 21.377 -2.999 -4.455 10 HA SER 3 HA SER 3 19.215 -2.213 -6.242 11 HB2 SER 3 1HB SER 3 21.333 -1.559 -7.064 12 HB3 SER 3 2HB SER 3 22.056 -3.121 -6.682 13 HG SER 3 HG SER 3 21.513 -3.739 -8.603 14 H GLY 4 H GLY 4 17.590 -3.657 -6.271 15 HA2 GLY 4 1HA GLY 4 16.465 -5.641 -6.538 16 HA3 GLY 4 2HA GLY 4 17.781 -6.069 -7.622 17 H SER 5 H SER 5 16.574 -6.278 -4.343 18 HA SER 5 HA SER 5 18.366 -8.568 -3.907 19 HB2 SER 5 1HB SER 5 17.905 -6.206 -2.112 20 HB3 SER 5 2HB SER 5 18.314 -7.774 -1.418 21 HG SER 5 HG SER 5 20.254 -7.727 -2.424 22 H SER 6 H SER 6 16.981 -10.228 -3.986 23 HA SER 6 HA SER 6 14.308 -10.010 -2.898 24 HB2 SER 6 1HB SER 6 13.983 -12.268 -3.770 25 HB3 SER 6 2HB SER 6 14.730 -11.249 -5.001 26 HG SER 6 HG SER 6 15.707 -13.474 -3.731 27 H GLY 7 H GLY 7 13.457 -11.365 -1.248 28 HA2 GLY 7 1HA GLY 7 15.392 -12.790 0.424 29 HA3 GLY 7 2HA GLY 7 14.516 -11.454 1.156 30 H LYS 8 H LYS 8 14.194 -14.641 -0.294 31 HA LYS 8 HA LYS 8 11.438 -14.987 0.043 32 HB2 LYS 8 1HB LYS 8 13.661 -17.035 0.119 33 HB3 LYS 8 2HB LYS 8 11.950 -17.424 0.001 34 HG2 LYS 8 1HG LYS 8 11.790 -16.394 -2.145 35 HG3 LYS 8 2HG LYS 8 13.423 -15.739 -2.010 36 HD2 LYS 8 1HD LYS 8 12.899 -18.693 -1.902 37 HD3 LYS 8 2HD LYS 8 13.088 -17.844 -3.438 38 HE2 LYS 8 1HE LYS 8 15.251 -16.907 -2.240 39 HE3 LYS 8 2HE LYS 8 15.086 -18.390 -1.301 40 HZ1 LYS 8 1HZ LYS 8 14.758 -18.950 -4.049 41 HZ2 LYS 8 2HZ LYS 8 15.921 -19.546 -2.976 42 HZ3 LYS 8 3HZ LYS 8 16.207 -18.107 -3.818 43 H GLU 9 H GLU 9 10.360 -16.430 1.609 44 HA GLU 9 HA GLU 9 11.552 -16.985 4.131 45 HB2 GLU 9 1HB GLU 9 10.362 -15.412 5.518 46 HB3 GLU 9 2HB GLU 9 11.285 -14.521 4.316 47 HG2 GLU 9 1HG GLU 9 8.360 -15.159 4.036 48 HG3 GLU 9 2HG GLU 9 8.980 -13.663 4.736 49 H ALA 10 H ALA 10 10.154 -18.133 5.540 50 HA ALA 10 HA ALA 10 7.418 -18.622 4.747 51 HB1 ALA 10 1HB ALA 10 7.674 -21.026 4.446 52 HB2 ALA 10 2HB ALA 10 8.636 -20.138 3.264 53 HB3 ALA 10 3HB ALA 10 9.419 -20.877 4.660 54 H LEU 11 H LEU 11 6.385 -18.489 6.622 55 HA LEU 11 HA LEU 11 7.287 -20.111 8.868 56 HB2 LEU 11 1HB LEU 11 8.352 -18.098 9.443 57 HB3 LEU 11 2HB LEU 11 6.977 -17.127 8.921 58 HG LEU 11 HG LEU 11 5.695 -18.085 10.862 59 HD11 LEU 11 1HD1 LEU 11 6.661 -19.954 11.678 60 HD12 LEU 11 2HD1 LEU 11 7.525 -18.793 12.687 61 HD13 LEU 11 3HD1 LEU 11 8.290 -19.440 11.235 62 HD21 LEU 11 1HD2 LEU 11 7.501 -15.975 10.730 63 HD22 LEU 11 2HD2 LEU 11 7.871 -16.787 12.252 64 HD23 LEU 11 3HD2 LEU 11 6.233 -16.212 11.934 65 H GLU 12 H GLU 12 5.644 -20.884 10.113 66 HA GLU 12 HA GLU 12 2.937 -19.866 9.570 67 HB2 GLU 12 1HB GLU 12 3.111 -21.887 8.299 68 HB3 GLU 12 2HB GLU 12 3.850 -22.741 9.646 69 HG2 GLU 12 1HG GLU 12 1.734 -23.544 9.800 70 HG3 GLU 12 2HG GLU 12 1.584 -22.127 10.838 71 H ALA 13 H ALA 13 2.009 -19.186 11.373 72 HA ALA 13 HA ALA 13 2.264 -20.725 13.827 73 HB1 ALA 13 1HB ALA 13 3.223 -19.102 15.155 74 HB2 ALA 13 2HB ALA 13 4.113 -18.902 13.645 75 HB3 ALA 13 3HB ALA 13 2.801 -17.796 14.049 76 H LEU 14 H LEU 14 0.473 -20.618 15.086 77 HA LEU 14 HA LEU 14 -1.963 -19.869 14.109 78 HB2 LEU 14 1HB LEU 14 -2.725 -19.798 16.498 79 HB3 LEU 14 2HB LEU 14 -1.880 -21.265 16.009 80 HG LEU 14 HG LEU 14 -0.322 -19.102 17.339 81 HD11 LEU 14 1HD1 LEU 14 -0.992 -19.678 19.501 82 HD12 LEU 14 2HD1 LEU 14 -1.842 -21.123 18.953 83 HD13 LEU 14 3HD1 LEU 14 -2.505 -19.526 18.608 84 HD21 LEU 14 1HD2 LEU 14 1.180 -20.727 17.045 85 HD22 LEU 14 2HD2 LEU 14 -0.060 -21.932 16.699 86 HD23 LEU 14 3HD2 LEU 14 0.363 -21.557 18.371 87 H VAL 15 H VAL 15 0.275 -17.896 15.999 88 HA VAL 15 HA VAL 15 -1.531 -15.631 16.012 89 HB VAL 15 HB VAL 15 -0.161 -15.927 17.968 90 HG11 VAL 15 1HG1 VAL 15 2.171 -15.807 16.065 91 HG12 VAL 15 2HG1 VAL 15 2.319 -15.694 17.819 92 HG13 VAL 15 3HG1 VAL 15 1.684 -17.164 17.079 93 HG21 VAL 15 1HG2 VAL 15 -0.562 -13.666 17.691 94 HG22 VAL 15 2HG2 VAL 15 1.196 -13.714 17.828 95 HG23 VAL 15 3HG2 VAL 15 0.438 -13.558 16.243 96 HA PRO 16 HA PRO 16 -0.131 -13.902 12.203 97 HB2 PRO 16 1HB PRO 16 -0.980 -11.354 12.597 98 HB3 PRO 16 2HB PRO 16 -2.081 -12.686 12.222 99 HG2 PRO 16 1HG PRO 16 -1.436 -11.450 14.871 100 HG3 PRO 16 2HG PRO 16 -3.010 -11.942 14.220 101 HD2 PRO 16 1HD PRO 16 -1.628 -13.454 15.992 102 HD3 PRO 16 2HD PRO 16 -2.672 -14.162 14.741 103 H VAL 17 H VAL 17 0.998 -11.736 11.513 104 HA VAL 17 HA VAL 17 2.953 -10.831 13.480 105 HB VAL 17 HB VAL 17 4.779 -11.145 11.705 106 HG11 VAL 17 1HG1 VAL 17 4.611 -12.400 13.834 107 HG12 VAL 17 2HG1 VAL 17 3.654 -13.625 13.000 108 HG13 VAL 17 3HG1 VAL 17 5.329 -13.341 12.529 109 HG21 VAL 17 1HG2 VAL 17 2.527 -12.440 10.415 110 HG22 VAL 17 2HG2 VAL 17 4.082 -11.950 9.745 111 HG23 VAL 17 3HG2 VAL 17 3.921 -13.509 10.552 112 H THR 18 H THR 18 4.251 -8.995 12.669 113 HA THR 18 HA THR 18 2.615 -7.327 10.891 114 HB THR 18 HB THR 18 4.786 -6.489 12.823 115 HG1 THR 18 1HG THR 18 3.238 -6.413 14.260 116 HG21 THR 18 1HG2 THR 18 3.946 -4.218 12.433 117 HG22 THR 18 2HG2 THR 18 2.811 -4.844 11.237 118 HG23 THR 18 3HG2 THR 18 4.547 -4.944 10.943 119 H ILE 19 H ILE 19 3.429 -6.386 9.072 120 HA ILE 19 HA ILE 19 6.205 -7.071 8.353 121 HB ILE 19 HB ILE 19 5.506 -7.217 6.011 122 HG12 ILE 19 1HG1 ILE 19 2.651 -7.094 6.974 123 HG13 ILE 19 2HG1 ILE 19 3.500 -5.673 6.377 124 HG21 ILE 19 1HG2 ILE 19 3.805 -9.230 6.468 125 HG22 ILE 19 2HG2 ILE 19 5.535 -9.345 6.783 126 HG23 ILE 19 3HG2 ILE 19 4.420 -8.999 8.104 127 HD11 ILE 19 1HD1 ILE 19 3.942 -7.046 4.273 128 HD12 ILE 19 2HD1 ILE 19 2.702 -8.142 4.887 129 HD13 ILE 19 3HD1 ILE 19 2.302 -6.459 4.545 130 H GLU 20 H GLU 20 6.740 -5.659 6.230 131 HA GLU 20 HA GLU 20 5.977 -2.877 6.817 132 HB2 GLU 20 1HB GLU 20 8.707 -4.065 6.496 133 HB3 GLU 20 2HB GLU 20 8.425 -2.401 6.003 134 HG2 GLU 20 1HG GLU 20 7.583 -1.917 8.280 135 HG3 GLU 20 2HG GLU 20 8.017 -3.558 8.749 136 H VAL 21 H VAL 21 5.334 -1.728 5.107 137 HA VAL 21 HA VAL 21 5.978 -2.750 2.418 138 HB VAL 21 HB VAL 21 3.381 -1.376 3.070 139 HG11 VAL 21 1HG1 VAL 21 4.440 -2.968 0.755 140 HG12 VAL 21 2HG1 VAL 21 2.712 -2.700 0.991 141 HG13 VAL 21 3HG1 VAL 21 3.795 -1.326 0.763 142 HG21 VAL 21 1HG2 VAL 21 2.824 -3.186 4.268 143 HG22 VAL 21 2HG2 VAL 21 2.720 -4.008 2.711 144 HG23 VAL 21 3HG2 VAL 21 4.195 -4.119 3.670 145 H GLU 22 H GLU 22 6.992 -1.328 1.173 146 HA GLU 22 HA GLU 22 7.518 1.323 2.033 147 HB2 GLU 22 1HB GLU 22 8.037 -0.169 -0.528 148 HB3 GLU 22 2HB GLU 22 8.435 1.537 -0.366 149 HG2 GLU 22 1HG GLU 22 10.079 1.138 1.216 150 HG3 GLU 22 2HG GLU 22 9.434 -0.449 1.630 151 H VAL 23 H VAL 23 6.096 2.924 2.012 152 HA VAL 23 HA VAL 23 4.591 3.484 -0.408 153 HB VAL 23 HB VAL 23 3.243 2.919 2.229 154 HG11 VAL 23 1HG1 VAL 23 2.575 4.920 0.317 155 HG12 VAL 23 2HG1 VAL 23 1.351 3.649 0.255 156 HG13 VAL 23 3HG1 VAL 23 1.708 4.458 1.782 157 HG21 VAL 23 1HG2 VAL 23 2.914 1.800 -0.550 158 HG22 VAL 23 2HG2 VAL 23 3.530 0.960 0.872 159 HG23 VAL 23 3HG2 VAL 23 1.836 1.443 0.798 160 HA PRO 24 HA PRO 24 5.799 7.542 0.904 161 HB2 PRO 24 1HB PRO 24 4.458 8.916 -1.015 162 HB3 PRO 24 2HB PRO 24 5.960 8.039 -1.333 163 HG2 PRO 24 1HG PRO 24 3.132 7.206 -1.856 164 HG3 PRO 24 2HG PRO 24 4.561 7.026 -2.891 165 HD2 PRO 24 1HD PRO 24 3.573 4.989 -1.404 166 HD3 PRO 24 2HD PRO 24 5.305 5.163 -1.755 167 H PHE 25 H PHE 25 4.979 8.896 2.380 168 HA PHE 25 HA PHE 25 2.451 8.571 3.502 169 HB2 PHE 25 1HB PHE 25 4.482 9.685 4.543 170 HB3 PHE 25 2HB PHE 25 4.054 11.126 3.627 171 HD1 PHE 25 1HD PHE 25 1.854 12.234 4.060 172 HD2 PHE 25 2HD PHE 25 3.390 9.144 6.551 173 HE1 PHE 25 1HE PHE 25 0.310 12.915 5.852 174 HE2 PHE 25 2HE PHE 25 1.848 9.819 8.346 175 HZ PHE 25 HZ PHE 25 0.304 11.706 7.997 176 H ASP 26 H ASP 26 3.461 10.411 0.762 177 HA ASP 26 HA ASP 26 1.359 12.293 0.672 178 HB2 ASP 26 1HB ASP 26 3.348 11.231 -1.279 179 HB3 ASP 26 2HB ASP 26 1.960 12.111 -1.911 180 H LEU 27 H LEU 27 1.294 8.967 0.353 181 HA LEU 27 HA LEU 27 -1.088 9.009 -1.365 182 HB2 LEU 27 1HB LEU 27 0.845 6.842 -0.606 183 HB3 LEU 27 2HB LEU 27 -0.726 6.475 -1.317 184 HG LEU 27 HG LEU 27 1.471 8.091 -2.611 185 HD11 LEU 27 1HD1 LEU 27 0.431 5.347 -3.294 186 HD12 LEU 27 2HD1 LEU 27 1.929 5.666 -2.421 187 HD13 LEU 27 3HD1 LEU 27 1.746 6.214 -4.087 188 HD21 LEU 27 1HD2 LEU 27 -0.066 8.857 -4.013 189 HD22 LEU 27 2HD2 LEU 27 -1.327 8.021 -3.105 190 HD23 LEU 27 3HD2 LEU 27 -0.508 7.203 -4.436 191 H HIS 28 H HIS 28 0.079 8.179 1.823 192 HA HIS 28 HA HIS 28 -1.800 6.587 2.915 193 HB2 HIS 28 1HB HIS 28 -0.602 9.092 4.103 194 HB3 HIS 28 2HB HIS 28 -1.555 7.941 5.035 195 HD2 HIS 28 2HD HIS 28 0.582 5.918 2.719 196 HE1 HIS 28 1HE HIS 28 2.884 6.399 6.251 197 HE2 HIS 28 2HE HIS 28 2.697 5.219 4.033 198 H ARG 29 H ARG 29 -2.166 10.138 2.973 199 HA ARG 29 HA ARG 29 -4.674 10.416 3.908 200 HB2 ARG 29 1HB ARG 29 -4.876 12.464 2.673 201 HB3 ARG 29 2HB ARG 29 -3.188 12.266 3.126 202 HG2 ARG 29 1HG ARG 29 -2.996 11.176 0.754 203 HG3 ARG 29 2HG ARG 29 -4.464 12.104 0.443 204 HD2 ARG 29 1HD ARG 29 -2.178 13.488 1.745 205 HD3 ARG 29 2HD ARG 29 -2.052 13.115 0.026 206 HE ARG 29 HE ARG 29 -4.524 14.313 0.422 207 HH11 ARG 29 1HH1 ARG 29 -1.159 15.146 0.742 208 HH12 ARG 29 2HH1 ARG 29 -1.411 16.829 0.420 209 HH21 ARG 29 1HH2 ARG 29 -4.869 16.527 -0.004 210 HH22 ARG 29 2HH2 ARG 29 -3.521 17.614 -0.003 211 H TYR 30 H TYR 30 -3.815 9.366 0.656 212 HA TYR 30 HA TYR 30 -6.551 9.270 -0.236 213 HB2 TYR 30 1HB TYR 30 -3.994 8.232 -1.470 214 HB3 TYR 30 2HB TYR 30 -5.567 8.167 -2.255 215 HD1 TYR 30 2HD TYR 30 -6.746 10.743 -1.755 216 HD2 TYR 30 1HD TYR 30 -2.681 9.784 -2.569 217 HE1 TYR 30 2HE TYR 30 -6.397 13.006 -2.650 218 HE2 TYR 30 1HE TYR 30 -2.321 12.046 -3.465 219 HH TYR 30 HH TYR 30 -4.985 14.313 -3.854 220 H VAL 31 H VAL 31 -4.097 6.927 0.773 221 HA VAL 31 HA VAL 31 -5.552 4.590 0.250 222 HB VAL 31 HB VAL 31 -3.511 5.031 2.433 223 HG11 VAL 31 1HG1 VAL 31 -4.617 3.000 2.888 224 HG12 VAL 31 2HG1 VAL 31 -4.659 2.551 1.182 225 HG13 VAL 31 3HG1 VAL 31 -3.127 2.553 2.057 226 HG21 VAL 31 1HG2 VAL 31 -1.875 4.206 0.831 227 HG22 VAL 31 2HG2 VAL 31 -3.129 4.066 -0.401 228 HG23 VAL 31 3HG2 VAL 31 -2.670 5.655 0.214 229 H ILE 32 H ILE 32 -5.079 6.222 3.390 230 HA ILE 32 HA ILE 32 -6.993 4.670 4.763 231 HB ILE 32 HB ILE 32 -6.068 7.455 5.471 232 HG12 ILE 32 1HG1 ILE 32 -4.892 4.967 6.646 233 HG13 ILE 32 2HG1 ILE 32 -4.333 5.511 5.067 234 HG21 ILE 32 1HG2 ILE 32 -7.629 5.359 6.868 235 HG22 ILE 32 2HG2 ILE 32 -6.466 6.278 7.821 236 HG23 ILE 32 3HG2 ILE 32 -7.755 7.116 6.957 237 HD11 ILE 32 1HD1 ILE 32 -3.915 7.761 6.178 238 HD12 ILE 32 2HD1 ILE 32 -4.117 6.905 7.708 239 HD13 ILE 32 3HD1 ILE 32 -2.833 6.432 6.596 240 H GLY 33 H GLY 33 -7.180 7.961 3.408 241 HA2 GLY 33 1HA GLY 33 -9.027 8.998 2.449 242 HA3 GLY 33 2HA GLY 33 -10.000 7.597 2.874 243 H GLN 34 H GLN 34 -10.941 10.192 3.178 244 HA GLN 34 HA GLN 34 -10.666 11.615 5.423 245 HB2 GLN 34 1HB GLN 34 -12.420 12.065 3.785 246 HB3 GLN 34 2HB GLN 34 -13.310 10.647 4.323 247 HG2 GLN 34 1HG GLN 34 -13.704 11.649 6.473 248 HG3 GLN 34 2HG GLN 34 -12.689 13.028 6.055 249 HE21 GLN 34 1HE2 GLN 34 -15.705 12.378 6.610 250 HE22 GLN 34 2HE2 GLN 34 -16.510 13.350 5.430 251 H LYS 35 H LYS 35 -12.304 8.481 5.261 252 HA LYS 35 HA LYS 35 -12.151 8.347 8.201 253 HB2 LYS 35 1HB LYS 35 -14.251 7.067 6.441 254 HB3 LYS 35 2HB LYS 35 -14.176 6.988 8.195 255 HG2 LYS 35 1HG LYS 35 -14.275 9.672 6.936 256 HG3 LYS 35 2HG LYS 35 -15.745 8.694 6.930 257 HD2 LYS 35 1HD LYS 35 -16.023 9.745 8.933 258 HD3 LYS 35 2HD LYS 35 -15.074 8.361 9.479 259 HE2 LYS 35 1HE LYS 35 -13.876 10.033 10.457 260 HE3 LYS 35 2HE LYS 35 -13.062 9.981 8.894 261 HZ1 LYS 35 1HZ LYS 35 -14.990 11.960 9.912 262 HZ2 LYS 35 2HZ LYS 35 -14.823 11.731 8.245 263 HZ3 LYS 35 3HZ LYS 35 -13.491 12.213 9.169 264 H GLY 36 H GLY 36 -12.450 5.893 8.873 265 HA2 GLY 36 1HA GLY 36 -10.232 4.507 7.605 266 HA3 GLY 36 2HA GLY 36 -11.042 4.040 9.093 267 H SER 37 H SER 37 -12.559 4.696 5.974 268 HA SER 37 HA SER 37 -13.743 2.028 6.056 269 HB2 SER 37 1HB SER 37 -14.411 4.590 4.663 270 HB3 SER 37 2HB SER 37 -14.995 3.074 3.979 271 HG SER 37 HG SER 37 -15.537 2.884 6.499 272 H GLY 38 H GLY 38 -12.087 4.128 3.695 273 HA2 GLY 38 1HA GLY 38 -11.835 2.512 1.541 274 HA3 GLY 38 2HA GLY 38 -10.531 3.559 2.081 275 H ILE 39 H ILE 39 -9.295 2.566 4.043 276 HA ILE 39 HA ILE 39 -7.973 0.277 3.134 277 HB ILE 39 HB ILE 39 -8.045 1.553 5.863 278 HG12 ILE 39 1HG1 ILE 39 -5.893 1.483 3.738 279 HG13 ILE 39 2HG1 ILE 39 -7.011 2.819 3.984 280 HG21 ILE 39 1HG2 ILE 39 -7.098 -0.263 6.719 281 HG22 ILE 39 2HG2 ILE 39 -7.090 -1.051 5.143 282 HG23 ILE 39 3HG2 ILE 39 -5.737 -0.026 5.624 283 HD11 ILE 39 1HD1 ILE 39 -5.226 3.589 5.152 284 HD12 ILE 39 2HD1 ILE 39 -6.042 2.697 6.438 285 HD13 ILE 39 3HD1 ILE 39 -4.674 1.973 5.593 286 H ARG 40 H ARG 40 -10.562 0.658 5.506 287 HA ARG 40 HA ARG 40 -10.713 -1.696 6.782 288 HB2 ARG 40 1HB ARG 40 -12.415 0.270 6.668 289 HB3 ARG 40 2HB ARG 40 -13.197 -0.698 5.424 290 HG2 ARG 40 1HG ARG 40 -14.337 -1.324 7.322 291 HG3 ARG 40 2HG ARG 40 -13.112 -2.588 7.195 292 HD2 ARG 40 1HD ARG 40 -11.711 -1.363 8.800 293 HD3 ARG 40 2HD ARG 40 -12.968 -0.136 8.945 294 HE ARG 40 HE ARG 40 -13.969 -2.739 9.516 295 HH11 ARG 40 1HH1 ARG 40 -12.127 -0.103 10.851 296 HH12 ARG 40 2HH1 ARG 40 -12.522 -0.488 12.493 297 HH21 ARG 40 1HH2 ARG 40 -14.496 -3.255 11.673 298 HH22 ARG 40 2HH2 ARG 40 -13.869 -2.282 12.960 299 H LYS 41 H LYS 41 -12.153 -1.214 3.552 300 HA LYS 41 HA LYS 41 -13.119 -3.619 2.914 301 HB2 LYS 41 1HB LYS 41 -13.137 -1.937 1.243 302 HB3 LYS 41 2HB LYS 41 -11.383 -1.822 1.231 303 HG2 LYS 41 1HG LYS 41 -11.141 -3.817 0.045 304 HG3 LYS 41 2HG LYS 41 -12.785 -4.344 0.421 305 HD2 LYS 41 1HD LYS 41 -13.414 -2.140 -0.892 306 HD3 LYS 41 2HD LYS 41 -11.825 -2.396 -1.617 307 HE2 LYS 41 1HE LYS 41 -12.452 -4.534 -2.436 308 HE3 LYS 41 2HE LYS 41 -13.932 -4.541 -1.479 309 HZ1 LYS 41 1HZ LYS 41 -14.339 -4.045 -3.824 310 HZ2 LYS 41 2HZ LYS 41 -13.360 -2.670 -3.713 311 HZ3 LYS 41 3HZ LYS 41 -14.798 -2.757 -2.827 312 H MET 42 H MET 42 -9.654 -2.829 2.772 313 HA MET 42 HA MET 42 -8.832 -5.427 1.990 314 HB2 MET 42 1HB MET 42 -7.274 -3.229 3.363 315 HB3 MET 42 2HB MET 42 -6.568 -4.663 2.630 316 HG2 MET 42 1HG MET 42 -7.171 -3.976 0.460 317 HG3 MET 42 2HG MET 42 -8.243 -2.720 1.077 318 HE1 MET 42 1HE MET 42 -3.962 -2.843 0.142 319 HE2 MET 42 2HE MET 42 -3.950 -3.105 1.885 320 HE3 MET 42 3HE MET 42 -4.904 -4.161 0.841 321 H MET 43 H MET 43 -8.629 -3.757 5.138 322 HA MET 43 HA MET 43 -7.596 -5.776 6.675 323 HB2 MET 43 1HB MET 43 -9.643 -3.671 7.351 324 HB3 MET 43 2HB MET 43 -8.985 -4.763 8.563 325 HG2 MET 43 1HG MET 43 -6.689 -3.931 7.730 326 HG3 MET 43 2HG MET 43 -7.609 -2.603 7.024 327 HE1 MET 43 1HE MET 43 -8.708 -0.926 8.007 328 HE2 MET 43 2HE MET 43 -9.728 -1.429 9.356 329 HE3 MET 43 3HE MET 43 -8.414 -0.281 9.622 330 H ASP 44 H ASP 44 -10.873 -5.426 5.486 331 HA ASP 44 HA ASP 44 -11.879 -7.629 7.061 332 HB2 ASP 44 1HB ASP 44 -13.018 -5.697 5.105 333 HB3 ASP 44 2HB ASP 44 -13.847 -7.240 5.298 334 H GLU 45 H GLU 45 -11.214 -7.022 3.621 335 HA GLU 45 HA GLU 45 -11.922 -9.563 2.677 336 HB2 GLU 45 1HB GLU 45 -11.560 -7.590 1.229 337 HB3 GLU 45 2HB GLU 45 -9.836 -7.681 1.559 338 HG2 GLU 45 1HG GLU 45 -9.941 -8.747 -0.453 339 HG3 GLU 45 2HG GLU 45 -10.092 -10.116 0.648 340 H PHE 46 H PHE 46 -8.641 -8.290 3.277 341 HA PHE 46 HA PHE 46 -7.518 -10.944 3.182 342 HB2 PHE 46 1HB PHE 46 -6.251 -8.285 3.874 343 HB3 PHE 46 2HB PHE 46 -5.376 -9.795 3.650 344 HD1 PHE 46 1HD PHE 46 -5.866 -10.994 1.340 345 HD2 PHE 46 2HD PHE 46 -6.384 -6.838 2.101 346 HE1 PHE 46 1HE PHE 46 -5.685 -10.533 -1.070 347 HE2 PHE 46 2HE PHE 46 -6.206 -6.371 -0.308 348 HZ PHE 46 HZ PHE 46 -5.858 -8.220 -1.897 349 H GLU 47 H GLU 47 -9.372 -9.676 5.409 350 HA GLU 47 HA GLU 47 -9.543 -9.711 7.700 351 HB2 GLU 47 1HB GLU 47 -8.311 -12.386 7.044 352 HB3 GLU 47 2HB GLU 47 -8.928 -11.980 8.639 353 HG2 GLU 47 1HG GLU 47 -11.147 -11.609 7.687 354 HG3 GLU 47 2HG GLU 47 -10.528 -12.024 6.090 355 H VAL 48 H VAL 48 -7.393 -8.169 7.061 356 HA VAL 48 HA VAL 48 -5.453 -8.888 9.158 357 HB VAL 48 HB VAL 48 -3.728 -7.646 7.813 358 HG11 VAL 48 1HG1 VAL 48 -3.055 -9.697 7.300 359 HG12 VAL 48 2HG1 VAL 48 -4.698 -10.296 7.539 360 HG13 VAL 48 3HG1 VAL 48 -4.184 -9.739 5.946 361 HG21 VAL 48 1HG2 VAL 48 -4.301 -7.687 5.284 362 HG22 VAL 48 2HG2 VAL 48 -5.976 -7.667 5.836 363 HG23 VAL 48 3HG2 VAL 48 -4.886 -6.352 6.277 364 H ASN 49 H ASN 49 -4.039 -6.758 9.566 365 HA ASN 49 HA ASN 49 -5.887 -4.481 9.806 366 HB2 ASN 49 1HB ASN 49 -3.978 -5.421 11.958 367 HB3 ASN 49 2HB ASN 49 -5.067 -4.040 12.061 368 HD21 ASN 49 1HD2 ASN 49 -7.381 -4.505 11.895 369 HD22 ASN 49 2HD2 ASN 49 -7.975 -5.985 12.560 370 H ILE 50 H ILE 50 -5.079 -2.841 8.690 371 HA ILE 50 HA ILE 50 -2.193 -2.632 8.294 372 HB ILE 50 HB ILE 50 -4.448 -1.065 7.035 373 HG12 ILE 50 1HG1 ILE 50 -2.665 -3.125 5.739 374 HG13 ILE 50 2HG1 ILE 50 -4.211 -3.542 6.470 375 HG21 ILE 50 1HG2 ILE 50 -2.653 -0.362 5.426 376 HG22 ILE 50 2HG2 ILE 50 -2.509 0.310 7.049 377 HG23 ILE 50 3HG2 ILE 50 -1.476 -1.031 6.556 378 HD11 ILE 50 1HD1 ILE 50 -4.296 -1.323 4.553 379 HD12 ILE 50 2HD1 ILE 50 -3.879 -2.898 3.878 380 HD13 ILE 50 3HD1 ILE 50 -5.388 -2.690 4.766 381 H HIS 51 H HIS 51 -0.950 -1.144 9.248 382 HA HIS 51 HA HIS 51 -2.283 1.000 10.769 383 HB2 HIS 51 1HB HIS 51 -0.088 -0.865 11.517 384 HB3 HIS 51 2HB HIS 51 0.016 0.789 12.112 385 HD1 HIS 51 1HD HIS 51 -1.020 1.085 14.326 386 HD2 HIS 51 2HD HIS 51 -2.838 -1.971 12.178 387 HE1 HIS 51 1HE HIS 51 -2.778 0.142 15.857 388 H VAL 52 H VAL 52 -1.754 3.009 10.218 389 HA VAL 52 HA VAL 52 0.616 3.408 8.520 390 HB VAL 52 HB VAL 52 -1.864 5.111 8.780 391 HG11 VAL 52 1HG1 VAL 52 0.270 5.490 6.717 392 HG12 VAL 52 2HG1 VAL 52 -0.960 6.627 7.273 393 HG13 VAL 52 3HG1 VAL 52 0.416 6.239 8.307 394 HG21 VAL 52 1HG2 VAL 52 -2.496 4.334 6.648 395 HG22 VAL 52 2HG2 VAL 52 -0.920 3.598 6.360 396 HG23 VAL 52 3HG2 VAL 52 -2.018 2.894 7.547 397 HA PRO 53 HA PRO 53 2.522 5.695 11.776 398 HB2 PRO 53 1HB PRO 53 4.356 7.034 10.289 399 HB3 PRO 53 2HB PRO 53 4.500 5.314 10.671 400 HG2 PRO 53 1HG PRO 53 3.505 6.622 8.169 401 HG3 PRO 53 2HG PRO 53 4.577 5.221 8.349 402 HD2 PRO 53 1HD PRO 53 1.941 4.974 7.784 403 HD3 PRO 53 2HD PRO 53 2.829 3.774 8.746 404 H ALA 54 H ALA 54 2.295 7.656 12.736 405 HA ALA 54 HA ALA 54 0.417 9.498 11.737 406 HB1 ALA 54 1HB ALA 54 1.727 10.928 13.640 407 HB2 ALA 54 2HB ALA 54 0.443 9.763 13.965 408 HB3 ALA 54 3HB ALA 54 2.132 9.275 14.104 409 HA PRO 55 HA PRO 55 2.706 12.300 9.254 410 HB2 PRO 55 1HB PRO 55 1.644 14.697 9.955 411 HB3 PRO 55 2HB PRO 55 0.766 13.503 8.993 412 HG2 PRO 55 1HG PRO 55 0.579 14.085 11.924 413 HG3 PRO 55 2HG PRO 55 -0.723 13.776 10.759 414 HD2 PRO 55 1HD PRO 55 0.189 11.878 12.461 415 HD3 PRO 55 2HD PRO 55 -0.425 11.491 10.841 416 H GLU 56 H GLU 56 2.888 12.486 12.666 417 HA GLU 56 HA GLU 56 4.825 14.627 12.747 418 HB2 GLU 56 1HB GLU 56 4.933 14.172 15.141 419 HB3 GLU 56 2HB GLU 56 3.261 14.288 14.609 420 HG2 GLU 56 1HG GLU 56 2.842 12.075 14.969 421 HG3 GLU 56 2HG GLU 56 4.518 11.600 14.703 422 H LEU 57 H LEU 57 4.887 11.303 12.126 423 HA LEU 57 HA LEU 57 7.663 10.995 12.994 424 HB2 LEU 57 1HB LEU 57 5.724 8.995 11.840 425 HB3 LEU 57 2HB LEU 57 7.359 8.629 12.386 426 HG LEU 57 HG LEU 57 5.246 9.731 14.224 427 HD11 LEU 57 1HD1 LEU 57 4.293 7.735 14.480 428 HD12 LEU 57 2HD1 LEU 57 5.848 6.906 14.515 429 HD13 LEU 57 3HD1 LEU 57 5.083 7.279 12.971 430 HD21 LEU 57 1HD2 LEU 57 6.682 9.142 15.957 431 HD22 LEU 57 2HD2 LEU 57 7.769 9.800 14.734 432 HD23 LEU 57 3HD2 LEU 57 7.624 8.054 14.939 433 H GLN 58 H GLN 58 5.799 11.620 10.192 434 HA GLN 58 HA GLN 58 6.285 11.751 7.966 435 HB2 GLN 58 1HB GLN 58 9.100 12.321 8.884 436 HB3 GLN 58 2HB GLN 58 8.305 12.898 7.426 437 HG2 GLN 58 1HG GLN 58 6.775 14.230 8.808 438 HG3 GLN 58 2HG GLN 58 7.625 13.681 10.251 439 HE21 GLN 58 1HE2 GLN 58 7.252 16.379 9.176 440 HE22 GLN 58 2HE2 GLN 58 8.840 17.027 8.967 441 H SER 59 H SER 59 6.187 9.166 8.661 442 HA SER 59 HA SER 59 8.589 7.906 7.533 443 HB2 SER 59 1HB SER 59 7.455 7.224 9.812 444 HB3 SER 59 2HB SER 59 6.359 6.328 8.759 445 HG SER 59 HG SER 59 9.119 5.987 9.165 446 H ASP 60 H ASP 60 8.436 6.411 5.843 447 HA ASP 60 HA ASP 60 5.937 6.579 4.291 448 HB2 ASP 60 1HB ASP 60 8.726 6.128 3.215 449 HB3 ASP 60 2HB ASP 60 7.259 6.374 2.273 450 H ILE 61 H ILE 61 6.871 4.603 6.374 451 HA ILE 61 HA ILE 61 6.651 2.180 4.709 452 HB ILE 61 HB ILE 61 7.861 2.185 7.459 453 HG12 ILE 61 1HG1 ILE 61 9.100 3.782 5.980 454 HG13 ILE 61 2HG1 ILE 61 10.062 2.405 6.507 455 HG21 ILE 61 1HG2 ILE 61 7.593 0.279 5.206 456 HG22 ILE 61 2HG2 ILE 61 9.077 0.212 6.155 457 HG23 ILE 61 3HG2 ILE 61 7.516 -0.002 6.945 458 HD11 ILE 61 1HD1 ILE 61 9.220 1.401 4.217 459 HD12 ILE 61 2HD1 ILE 61 9.071 3.110 3.807 460 HD13 ILE 61 3HD1 ILE 61 10.628 2.457 4.312 461 H ILE 62 H ILE 62 4.729 1.257 4.894 462 HA ILE 62 HA ILE 62 3.094 1.748 7.257 463 HB ILE 62 HB ILE 62 2.488 0.505 4.582 464 HG12 ILE 62 1HG1 ILE 62 1.328 2.924 5.980 465 HG13 ILE 62 2HG1 ILE 62 2.605 2.990 4.770 466 HG21 ILE 62 1HG2 ILE 62 0.064 0.734 5.790 467 HG22 ILE 62 2HG2 ILE 62 0.987 -0.761 5.667 468 HG23 ILE 62 3HG2 ILE 62 1.077 0.212 7.135 469 HD11 ILE 62 1HD1 ILE 62 -0.010 3.288 4.228 470 HD12 ILE 62 2HD1 ILE 62 1.176 2.692 3.066 471 HD13 ILE 62 3HD1 ILE 62 0.172 1.554 3.963 472 H ALA 63 H ALA 63 2.387 0.187 8.656 473 HA ALA 63 HA ALA 63 3.742 -2.417 8.455 474 HB1 ALA 63 1HB ALA 63 3.462 -0.564 10.596 475 HB2 ALA 63 2HB ALA 63 2.641 -2.061 11.037 476 HB3 ALA 63 3HB ALA 63 4.340 -2.093 10.564 477 H ILE 64 H ILE 64 2.556 -4.153 8.032 478 HA ILE 64 HA ILE 64 -0.349 -4.017 8.512 479 HB ILE 64 HB ILE 64 1.095 -5.699 6.461 480 HG12 ILE 64 1HG1 ILE 64 -0.616 -3.236 6.058 481 HG13 ILE 64 2HG1 ILE 64 1.142 -3.258 5.974 482 HG21 ILE 64 1HG2 ILE 64 -1.568 -5.787 7.552 483 HG22 ILE 64 2HG2 ILE 64 -1.612 -5.452 5.822 484 HG23 ILE 64 3HG2 ILE 64 -0.782 -6.889 6.422 485 HD11 ILE 64 1HD1 ILE 64 0.351 -5.259 4.231 486 HD12 ILE 64 2HD1 ILE 64 -0.812 -3.958 3.972 487 HD13 ILE 64 3HD1 ILE 64 0.915 -3.643 3.806 488 H THR 65 H THR 65 -1.249 -5.480 9.821 489 HA THR 65 HA THR 65 0.473 -7.607 10.884 490 HB THR 65 HB THR 65 -2.152 -6.673 12.046 491 HG1 THR 65 1HG THR 65 -0.610 -5.553 13.543 492 HG21 THR 65 1HG2 THR 65 -0.902 -8.922 12.636 493 HG22 THR 65 2HG2 THR 65 -1.644 -7.936 13.895 494 HG23 THR 65 3HG2 THR 65 0.094 -7.846 13.615 495 H GLY 66 H GLY 66 -0.174 -9.745 10.931 496 HA2 GLY 66 1HA GLY 66 -2.529 -10.968 10.588 497 HA3 GLY 66 2HA GLY 66 -2.168 -10.465 8.943 498 H LEU 67 H LEU 67 -2.476 -13.091 9.355 499 HA LEU 67 HA LEU 67 -0.132 -14.496 10.080 500 HB2 LEU 67 1HB LEU 67 -2.484 -15.274 8.371 501 HB3 LEU 67 2HB LEU 67 -1.199 -16.389 8.829 502 HG LEU 67 HG LEU 67 -3.060 -14.988 10.748 503 HD11 LEU 67 1HD1 LEU 67 -3.135 -17.905 10.522 504 HD12 LEU 67 2HD1 LEU 67 -3.706 -17.049 9.090 505 HD13 LEU 67 3HD1 LEU 67 -4.452 -16.739 10.658 506 HD21 LEU 67 1HD2 LEU 67 -1.461 -15.462 12.229 507 HD22 LEU 67 2HD2 LEU 67 -0.579 -16.471 11.082 508 HD23 LEU 67 3HD2 LEU 67 -1.917 -17.151 12.009 509 H ALA 68 H ALA 68 1.540 -15.307 8.873 510 HA ALA 68 HA ALA 68 2.725 -13.948 6.897 511 HB1 ALA 68 1HB ALA 68 2.675 -16.942 7.223 512 HB2 ALA 68 2HB ALA 68 3.786 -16.088 6.151 513 HB3 ALA 68 3HB ALA 68 3.844 -15.804 7.891 514 H ALA 69 H ALA 69 0.188 -16.363 6.411 515 HA ALA 69 HA ALA 69 0.261 -16.376 3.590 516 HB1 ALA 69 1HB ALA 69 -2.050 -17.320 3.784 517 HB2 ALA 69 2HB ALA 69 -0.822 -18.171 4.722 518 HB3 ALA 69 3HB ALA 69 -1.939 -17.069 5.526 519 H ASN 70 H ASN 70 -1.933 -14.685 5.839 520 HA ASN 70 HA ASN 70 -3.353 -13.267 3.882 521 HB2 ASN 70 1HB ASN 70 -2.820 -12.540 6.771 522 HB3 ASN 70 2HB ASN 70 -4.029 -11.773 5.744 523 HD21 ASN 70 1HD2 ASN 70 -4.410 -13.199 8.224 524 HD22 ASN 70 2HD2 ASN 70 -5.470 -14.519 7.875 525 H LEU 71 H LEU 71 -0.528 -12.329 5.820 526 HA LEU 71 HA LEU 71 -0.206 -9.720 5.049 527 HB2 LEU 71 1HB LEU 71 1.974 -11.773 5.394 528 HB3 LEU 71 2HB LEU 71 2.196 -10.025 5.427 529 HG LEU 71 HG LEU 71 0.509 -11.539 7.414 530 HD11 LEU 71 1HD1 LEU 71 3.417 -11.044 7.290 531 HD12 LEU 71 2HD1 LEU 71 2.513 -12.332 8.088 532 HD13 LEU 71 3HD1 LEU 71 2.630 -10.740 8.839 533 HD21 LEU 71 1HD2 LEU 71 1.451 -9.157 8.492 534 HD22 LEU 71 2HD2 LEU 71 -0.191 -9.495 7.941 535 HD23 LEU 71 3HD2 LEU 71 0.971 -8.743 6.846 536 H ASP 72 H ASP 72 0.770 -12.625 3.284 537 HA ASP 72 HA ASP 72 2.131 -11.332 1.189 538 HB2 ASP 72 1HB ASP 72 0.921 -14.025 1.591 539 HB3 ASP 72 2HB ASP 72 1.317 -13.541 -0.056 540 H ARG 73 H ARG 73 -1.205 -12.580 1.321 541 HA ARG 73 HA ARG 73 -2.007 -11.695 -1.201 542 HB2 ARG 73 1HB ARG 73 -3.979 -11.673 1.034 543 HB3 ARG 73 2HB ARG 73 -4.136 -12.317 -0.594 544 HG2 ARG 73 1HG ARG 73 -2.309 -14.014 0.300 545 HG3 ARG 73 2HG ARG 73 -3.032 -13.576 1.849 546 HD2 ARG 73 1HD ARG 73 -4.265 -15.433 1.156 547 HD3 ARG 73 2HD ARG 73 -5.279 -14.059 0.716 548 HE ARG 73 HE ARG 73 -3.698 -14.657 -1.488 549 HH11 ARG 73 1HH1 ARG 73 -6.198 -16.166 0.406 550 HH12 ARG 73 2HH1 ARG 73 -6.811 -17.107 -0.914 551 HH21 ARG 73 1HH2 ARG 73 -4.495 -15.890 -3.234 552 HH22 ARG 73 2HH2 ARG 73 -5.842 -16.949 -2.984 553 H ALA 74 H ALA 74 -2.623 -10.151 1.958 554 HA ALA 74 HA ALA 74 -3.797 -7.819 1.006 555 HB1 ALA 74 1HB ALA 74 -3.960 -7.389 3.175 556 HB2 ALA 74 2HB ALA 74 -2.973 -8.815 3.495 557 HB3 ALA 74 3HB ALA 74 -2.209 -7.236 3.320 558 H LYS 75 H LYS 75 -0.380 -8.352 1.874 559 HA LYS 75 HA LYS 75 0.601 -5.848 1.205 560 HB2 LYS 75 1HB LYS 75 1.914 -7.564 2.379 561 HB3 LYS 75 2HB LYS 75 1.990 -8.517 0.904 562 HG2 LYS 75 1HG LYS 75 3.181 -6.604 -0.175 563 HG3 LYS 75 2HG LYS 75 3.246 -5.831 1.411 564 HD2 LYS 75 1HD LYS 75 4.777 -7.320 2.226 565 HD3 LYS 75 2HD LYS 75 4.215 -8.633 1.187 566 HE2 LYS 75 1HE LYS 75 5.487 -6.271 -0.096 567 HE3 LYS 75 2HE LYS 75 6.524 -7.404 0.769 568 HZ1 LYS 75 1HZ LYS 75 6.434 -8.765 -0.956 569 HZ2 LYS 75 2HZ LYS 75 5.466 -7.663 -1.799 570 HZ3 LYS 75 3HZ LYS 75 4.748 -8.859 -0.843 571 H ALA 76 H ALA 76 0.344 -8.734 -0.858 572 HA ALA 76 HA ALA 76 1.437 -7.652 -3.182 573 HB1 ALA 76 1HB ALA 76 0.673 -9.528 -4.273 574 HB2 ALA 76 2HB ALA 76 0.687 -10.083 -2.598 575 HB3 ALA 76 3HB ALA 76 -0.830 -9.586 -3.350 576 H GLY 77 H GLY 77 -1.570 -7.011 -1.652 577 HA2 GLY 77 1HA GLY 77 -2.877 -6.030 -4.045 578 HA3 GLY 77 2HA GLY 77 -3.508 -5.962 -2.406 579 H LEU 78 H LEU 78 -1.439 -4.616 -1.126 580 HA LEU 78 HA LEU 78 -2.057 -1.935 -1.786 581 HB2 LEU 78 1HB LEU 78 -1.355 -2.953 0.470 582 HB3 LEU 78 2HB LEU 78 0.295 -2.759 -0.117 583 HG LEU 78 HG LEU 78 -0.272 -0.294 -0.419 584 HD11 LEU 78 1HD1 LEU 78 -2.084 0.524 1.064 585 HD12 LEU 78 2HD1 LEU 78 -2.610 -1.145 1.279 586 HD13 LEU 78 3HD1 LEU 78 -2.666 -0.403 -0.319 587 HD21 LEU 78 1HD2 LEU 78 0.975 -1.524 1.529 588 HD22 LEU 78 2HD2 LEU 78 -0.450 -1.056 2.458 589 HD23 LEU 78 3HD2 LEU 78 0.539 0.179 1.676 590 H LEU 79 H LEU 79 0.938 -3.827 -2.122 591 HA LEU 79 HA LEU 79 2.635 -1.963 -3.163 592 HB2 LEU 79 1HB LEU 79 2.280 -4.859 -3.885 593 HB3 LEU 79 2HB LEU 79 3.589 -3.876 -4.539 594 HG LEU 79 HG LEU 79 3.162 -4.341 -1.591 595 HD11 LEU 79 1HD1 LEU 79 4.569 -5.954 -3.651 596 HD12 LEU 79 2HD1 LEU 79 3.703 -6.469 -2.205 597 HD13 LEU 79 3HD1 LEU 79 5.321 -5.780 -2.065 598 HD21 LEU 79 1HD2 LEU 79 4.461 -2.320 -2.428 599 HD22 LEU 79 2HD2 LEU 79 5.659 -3.470 -3.022 600 HD23 LEU 79 3HD2 LEU 79 5.292 -3.390 -1.298 601 H GLU 80 H GLU 80 0.186 -3.810 -4.944 602 HA GLU 80 HA GLU 80 0.804 -2.608 -7.461 603 HB2 GLU 80 1HB GLU 80 -1.392 -4.367 -6.434 604 HB3 GLU 80 2HB GLU 80 -1.568 -3.582 -7.997 605 HG2 GLU 80 1HG GLU 80 0.794 -4.602 -8.443 606 HG3 GLU 80 2HG GLU 80 0.337 -5.704 -7.146 607 H ARG 81 H ARG 81 -1.551 -2.004 -4.914 608 HA ARG 81 HA ARG 81 -3.140 -0.134 -6.286 609 HB2 ARG 81 1HB ARG 81 -3.453 -1.327 -3.961 610 HB3 ARG 81 2HB ARG 81 -2.661 0.117 -3.344 611 HG2 ARG 81 1HG ARG 81 -4.851 0.734 -3.179 612 HG3 ARG 81 2HG ARG 81 -4.469 1.348 -4.788 613 HD2 ARG 81 1HD ARG 81 -5.432 -0.644 -5.797 614 HD3 ARG 81 2HD ARG 81 -5.756 -1.315 -4.199 615 HE ARG 81 HE ARG 81 -7.324 0.617 -5.602 616 HH11 ARG 81 1HH1 ARG 81 -6.376 -0.480 -2.438 617 HH12 ARG 81 2HH1 ARG 81 -7.801 0.124 -1.658 618 HH21 ARG 81 1HH2 ARG 81 -9.205 1.418 -4.588 619 HH22 ARG 81 2HH2 ARG 81 -9.409 1.203 -2.883 620 H VAL 82 H VAL 82 -0.160 0.206 -4.442 621 HA VAL 82 HA VAL 82 -0.149 3.055 -4.428 622 HB VAL 82 HB VAL 82 2.125 1.101 -4.056 623 HG11 VAL 82 1HG1 VAL 82 2.256 3.851 -4.534 624 HG12 VAL 82 2HG1 VAL 82 2.485 3.663 -2.795 625 HG13 VAL 82 3HG1 VAL 82 3.540 2.810 -3.921 626 HG21 VAL 82 1HG2 VAL 82 1.614 0.998 -1.855 627 HG22 VAL 82 2HG2 VAL 82 1.026 2.660 -1.800 628 HG23 VAL 82 3HG2 VAL 82 -0.004 1.381 -2.441 629 H LYS 83 H LYS 83 1.624 0.640 -6.352 630 HA LYS 83 HA LYS 83 3.057 2.380 -7.971 631 HB2 LYS 83 1HB LYS 83 1.919 -0.341 -8.632 632 HB3 LYS 83 2HB LYS 83 3.105 0.505 -9.618 633 HG2 LYS 83 1HG LYS 83 4.777 0.291 -7.995 634 HG3 LYS 83 2HG LYS 83 3.615 -0.114 -6.729 635 HD2 LYS 83 1HD LYS 83 4.672 -2.145 -7.304 636 HD3 LYS 83 2HD LYS 83 3.086 -2.196 -8.077 637 HE2 LYS 83 1HE LYS 83 4.017 -1.669 -10.201 638 HE3 LYS 83 2HE LYS 83 5.581 -1.278 -9.489 639 HZ1 LYS 83 1HZ LYS 83 6.137 -3.451 -9.284 640 HZ2 LYS 83 2HZ LYS 83 5.101 -3.598 -10.613 641 HZ3 LYS 83 3HZ LYS 83 4.544 -3.974 -9.061 642 H GLU 84 H GLU 84 -0.249 1.195 -8.303 643 HA GLU 84 HA GLU 84 -0.667 2.400 -10.867 644 HB2 GLU 84 1HB GLU 84 -2.345 0.963 -8.872 645 HB3 GLU 84 2HB GLU 84 -3.170 1.996 -10.030 646 HG2 GLU 84 1HG GLU 84 -3.102 -0.272 -10.840 647 HG3 GLU 84 2HG GLU 84 -2.118 0.767 -11.868 648 H LEU 85 H LEU 85 -1.700 3.191 -7.557 649 HA LEU 85 HA LEU 85 -3.169 5.476 -8.096 650 HB2 LEU 85 1HB LEU 85 -1.502 4.665 -5.737 651 HB3 LEU 85 2HB LEU 85 -2.376 6.196 -5.763 652 HG LEU 85 HG LEU 85 -3.801 3.594 -6.215 653 HD11 LEU 85 1HD1 LEU 85 -3.228 2.960 -4.154 654 HD12 LEU 85 2HD1 LEU 85 -4.299 4.246 -3.601 655 HD13 LEU 85 3HD1 LEU 85 -2.568 4.544 -3.750 656 HD21 LEU 85 1HD2 LEU 85 -4.652 6.127 -6.489 657 HD22 LEU 85 2HD2 LEU 85 -4.994 5.879 -4.777 658 HD23 LEU 85 3HD2 LEU 85 -5.697 4.800 -5.983 659 H GLN 86 H GLN 86 0.296 5.261 -7.291 660 HA GLN 86 HA GLN 86 0.906 7.964 -7.479 661 HB2 GLN 86 1HB GLN 86 3.211 7.291 -7.761 662 HB3 GLN 86 2HB GLN 86 2.434 6.225 -6.597 663 HG2 GLN 86 1HG GLN 86 2.236 4.487 -8.242 664 HG3 GLN 86 2HG GLN 86 2.851 5.558 -9.500 665 HE21 GLN 86 1HE2 GLN 86 3.652 3.685 -6.679 666 HE22 GLN 86 2HE2 GLN 86 5.364 3.691 -6.913 667 H ALA 87 H ALA 87 0.046 5.765 -9.943 668 HA ALA 87 HA ALA 87 1.295 7.293 -12.076 669 HB1 ALA 87 1HB ALA 87 0.937 4.712 -11.957 670 HB2 ALA 87 2HB ALA 87 -0.672 5.102 -12.568 671 HB3 ALA 87 3HB ALA 87 0.759 5.560 -13.493 672 H GLU 88 H GLU 88 -1.954 6.607 -10.841 673 HA GLU 88 HA GLU 88 -3.287 8.163 -12.832 674 HB2 GLU 88 1HB GLU 88 -5.277 7.668 -11.689 675 HB3 GLU 88 2HB GLU 88 -4.262 6.257 -11.423 676 HG2 GLU 88 1HG GLU 88 -3.683 7.068 -9.208 677 HG3 GLU 88 2HG GLU 88 -4.656 8.513 -9.471 678 H GLN 89 H GLN 89 -2.452 8.712 -9.421 679 HA GLN 89 HA GLN 89 -3.550 11.308 -9.264 680 HB2 GLN 89 1HB GLN 89 -2.483 11.484 -7.164 681 HB3 GLN 89 2HB GLN 89 -2.895 9.783 -7.338 682 HG2 GLN 89 1HG GLN 89 -0.693 9.148 -7.663 683 HG3 GLN 89 2HG GLN 89 -0.190 10.771 -8.132 684 HE21 GLN 89 1HE2 GLN 89 1.510 10.659 -6.625 685 HE22 GLN 89 2HE2 GLN 89 1.227 10.870 -4.934 686 H GLU 90 H GLU 90 -0.674 10.107 -10.684 687 HA GLU 90 HA GLU 90 0.623 12.721 -10.680 688 HB2 GLU 90 1HB GLU 90 1.500 9.978 -11.562 689 HB3 GLU 90 2HB GLU 90 2.426 11.420 -11.955 690 HG2 GLU 90 1HG GLU 90 1.714 10.556 -9.161 691 HG3 GLU 90 2HG GLU 90 3.249 10.216 -9.961 692 H ASP 91 H ASP 91 -0.604 10.322 -12.989 693 HA ASP 91 HA ASP 91 -0.040 11.298 -15.404 694 HB2 ASP 91 1HB ASP 91 -1.533 9.419 -15.170 695 HB3 ASP 91 2HB ASP 91 -2.776 10.438 -14.450 696 H ARG 92 H ARG 92 -2.931 12.478 -13.672 697 HA ARG 92 HA ARG 92 -3.639 14.543 -15.308 698 HB2 ARG 92 1HB ARG 92 -4.550 15.666 -13.268 699 HB3 ARG 92 2HB ARG 92 -5.005 13.974 -13.420 700 HG2 ARG 92 1HG ARG 92 -3.446 13.322 -11.746 701 HG3 ARG 92 2HG ARG 92 -2.719 14.930 -11.718 702 HD2 ARG 92 1HD ARG 92 -4.076 15.052 -9.876 703 HD3 ARG 92 2HD ARG 92 -5.162 15.675 -11.118 704 HE ARG 92 HE ARG 92 -5.384 13.160 -9.704 705 HH11 ARG 92 1HH1 ARG 92 -6.384 15.066 -12.441 706 HH12 ARG 92 2HH1 ARG 92 -7.846 14.171 -12.695 707 HH21 ARG 92 1HH2 ARG 92 -7.306 11.974 -10.029 708 HH22 ARG 92 2HH2 ARG 92 -8.369 12.413 -11.323 709 H ALA 93 H ALA 93 -1.122 14.562 -12.828 710 HA ALA 93 HA ALA 93 -0.500 17.332 -13.123 711 HB1 ALA 93 1HB ALA 93 1.725 16.351 -11.992 712 HB2 ALA 93 2HB ALA 93 0.244 16.681 -11.091 713 HB3 ALA 93 3HB ALA 93 0.603 15.039 -11.627 714 H LEU 94 H LEU 94 0.678 14.353 -14.560 715 HA LEU 94 HA LEU 94 3.059 15.103 -15.675 716 HB2 LEU 94 1HB LEU 94 1.600 12.912 -15.855 717 HB3 LEU 94 2HB LEU 94 1.136 13.624 -17.400 718 HG LEU 94 HG LEU 94 3.609 13.740 -17.937 719 HD11 LEU 94 1HD1 LEU 94 4.731 11.749 -16.538 720 HD12 LEU 94 2HD1 LEU 94 3.684 12.429 -15.293 721 HD13 LEU 94 3HD1 LEU 94 4.880 13.449 -16.094 722 HD21 LEU 94 1HD2 LEU 94 3.698 11.433 -18.650 723 HD22 LEU 94 2HD2 LEU 94 2.061 12.054 -18.861 724 HD23 LEU 94 3HD2 LEU 94 2.435 10.996 -17.499 725 H ARG 95 H ARG 95 -0.180 15.673 -17.022 726 HA ARG 95 HA ARG 95 -0.856 16.925 -18.826 727 HB2 ARG 95 1HB ARG 95 1.020 18.812 -17.392 728 HB3 ARG 95 2HB ARG 95 -0.118 19.308 -18.637 729 HG2 ARG 95 1HG ARG 95 -1.876 18.166 -17.087 730 HG3 ARG 95 2HG ARG 95 -0.638 18.393 -15.850 731 HD2 ARG 95 1HD ARG 95 -2.188 20.267 -15.871 732 HD3 ARG 95 2HD ARG 95 -0.575 20.786 -16.357 733 HE ARG 95 HE ARG 95 -2.041 20.147 -18.657 734 HH11 ARG 95 1HH1 ARG 95 -1.980 22.519 -16.109 735 HH12 ARG 95 2HH1 ARG 95 -2.666 23.775 -17.085 736 HH21 ARG 95 1HH2 ARG 95 -2.945 21.793 -19.952 737 HH22 ARG 95 2HH2 ARG 95 -3.216 23.361 -19.271 738 H SER 96 H SER 96 0.956 15.190 -19.776 739 HA SER 96 HA SER 96 2.011 16.547 -22.041 740 HB2 SER 96 1HB SER 96 4.342 16.334 -21.703 741 HB3 SER 96 2HB SER 96 3.731 17.007 -20.192 742 HG SER 96 HG SER 96 4.912 14.583 -20.684 743 H PHE 97 H PHE 97 1.828 15.174 -23.676 744 HA PHE 97 HA PHE 97 0.924 12.605 -23.545 745 HB2 PHE 97 1HB PHE 97 2.836 13.550 -25.683 746 HB3 PHE 97 2HB PHE 97 1.569 12.337 -25.837 747 HD1 PHE 97 1HD PHE 97 -0.833 13.360 -25.005 748 HD2 PHE 97 2HD PHE 97 2.396 15.527 -26.734 749 HE1 PHE 97 1HE PHE 97 -2.406 15.097 -25.755 750 HE2 PHE 97 2HE PHE 97 0.829 17.268 -27.486 751 HZ PHE 97 HZ PHE 97 -1.575 17.055 -26.997 752 H LYS 98 H LYS 98 1.906 10.533 -23.884 753 HA LYS 98 HA LYS 98 4.753 10.238 -23.533 754 HB2 LYS 98 1HB LYS 98 4.165 10.540 -21.222 755 HB3 LYS 98 2HB LYS 98 2.826 9.409 -21.359 756 HG2 LYS 98 1HG LYS 98 4.349 8.054 -20.367 757 HG3 LYS 98 2HG LYS 98 4.772 7.755 -22.055 758 HD2 LYS 98 1HD LYS 98 6.106 9.993 -20.602 759 HD3 LYS 98 2HD LYS 98 6.623 8.336 -20.281 760 HE2 LYS 98 1HE LYS 98 6.878 8.058 -22.773 761 HE3 LYS 98 2HE LYS 98 6.628 9.798 -22.915 762 HZ1 LYS 98 1HZ LYS 98 8.636 9.023 -20.988 763 HZ2 LYS 98 2HZ LYS 98 8.678 10.232 -22.170 764 HZ3 LYS 98 3HZ LYS 98 9.018 8.629 -22.589 765 H SER 99 H SER 99 5.497 8.245 -24.179 766 HA SER 99 HA SER 99 3.619 6.633 -25.670 767 HB2 SER 99 1HB SER 99 6.583 6.170 -25.283 768 HB3 SER 99 2HB SER 99 5.555 5.491 -26.545 769 HG SER 99 HG SER 99 6.285 7.177 -27.601 770 H GLY 100 H GLY 100 2.757 6.354 -23.207 771 HA2 GLY 100 1HA GLY 100 3.417 3.578 -22.585 772 HA3 GLY 100 2HA GLY 100 3.651 4.752 -21.299 773 HA PRO 101 HA PRO 101 -0.544 4.382 -20.102 774 HB2 PRO 101 1HB PRO 101 -1.163 6.919 -19.360 775 HB3 PRO 101 2HB PRO 101 -0.095 5.875 -18.414 776 HG2 PRO 101 1HG PRO 101 0.607 8.050 -20.347 777 HG3 PRO 101 2HG PRO 101 1.317 7.691 -18.763 778 HD2 PRO 101 1HD PRO 101 2.493 6.951 -21.087 779 HD3 PRO 101 2HD PRO 101 2.637 5.995 -19.598 780 H SER 102 H SER 102 0.326 6.111 -22.838 781 HA SER 102 HA SER 102 -2.456 6.170 -23.745 782 HB2 SER 102 1HB SER 102 -1.503 8.484 -22.925 783 HB3 SER 102 2HB SER 102 -0.687 8.471 -24.488 784 HG SER 102 HG SER 102 -3.021 7.862 -25.181 785 H SER 103 H SER 103 -2.644 5.170 -25.630 786 HA SER 103 HA SER 103 -0.235 4.618 -27.186 787 HB2 SER 103 1HB SER 103 -2.985 3.414 -27.081 788 HB3 SER 103 2HB SER 103 -1.946 3.129 -28.477 789 HG SER 103 HG SER 103 -0.875 1.750 -27.325 790 H GLY 104 H GLY 104 0.041 5.201 -29.314 791 HA2 GLY 104 1HA GLY 104 -1.528 7.483 -30.187 792 HA3 GLY 104 2HA GLY 104 -0.064 6.870 -30.942 Start of MODEL 7 1 H1 GLY 1 H GLY 1 15.854 -7.367 -8.671 2 HA2 GLY 1 1HA GLY 1 13.957 -6.907 -10.796 3 HA3 GLY 1 2HA GLY 1 15.707 -6.795 -10.914 4 H SER 2 H SER 2 13.240 -9.309 -10.340 5 HA SER 2 HA SER 2 13.916 -10.789 -12.647 6 HB2 SER 2 1HB SER 2 15.968 -11.237 -11.303 7 HB3 SER 2 2HB SER 2 14.955 -11.964 -10.057 8 HG SER 2 HG SER 2 14.698 -12.891 -12.681 9 H SER 3 H SER 3 12.158 -11.911 -13.153 10 HA SER 3 HA SER 3 9.958 -12.108 -11.370 11 HB2 SER 3 1HB SER 3 8.841 -13.306 -13.188 12 HB3 SER 3 2HB SER 3 9.688 -11.893 -13.817 13 HG SER 3 HG SER 3 11.013 -14.362 -13.762 14 H GLY 4 H GLY 4 9.364 -13.686 -10.015 15 HA2 GLY 4 1HA GLY 4 9.139 -15.922 -9.291 16 HA3 GLY 4 2HA GLY 4 10.465 -16.375 -10.352 17 H SER 5 H SER 5 9.725 -16.450 -7.287 18 HA SER 5 HA SER 5 12.165 -15.265 -6.210 19 HB2 SER 5 1HB SER 5 11.195 -15.961 -4.000 20 HB3 SER 5 2HB SER 5 10.172 -14.855 -4.917 21 HG SER 5 HG SER 5 9.206 -16.857 -3.928 22 H SER 6 H SER 6 13.743 -16.442 -5.104 23 HA SER 6 HA SER 6 13.953 -19.228 -5.960 24 HB2 SER 6 1HB SER 6 15.901 -17.124 -5.136 25 HB3 SER 6 2HB SER 6 16.344 -18.811 -4.875 26 HG SER 6 HG SER 6 15.757 -17.492 -7.301 27 H GLY 7 H GLY 7 15.020 -20.753 -4.375 28 HA2 GLY 7 1HA GLY 7 14.699 -21.992 -2.459 29 HA3 GLY 7 2HA GLY 7 15.134 -20.490 -1.658 30 H LYS 8 H LYS 8 12.537 -22.594 -2.610 31 HA LYS 8 HA LYS 8 10.364 -20.954 -1.885 32 HB2 LYS 8 1HB LYS 8 10.690 -23.944 -2.066 33 HB3 LYS 8 2HB LYS 8 9.163 -23.194 -1.619 34 HG2 LYS 8 1HG LYS 8 9.543 -21.838 -3.830 35 HG3 LYS 8 2HG LYS 8 10.577 -23.210 -4.236 36 HD2 LYS 8 1HD LYS 8 7.786 -23.633 -3.223 37 HD3 LYS 8 2HD LYS 8 8.086 -23.275 -4.925 38 HE2 LYS 8 1HE LYS 8 8.151 -25.564 -4.967 39 HE3 LYS 8 2HE LYS 8 9.853 -25.205 -4.683 40 HZ1 LYS 8 1HZ LYS 8 7.831 -26.090 -2.708 41 HZ2 LYS 8 2HZ LYS 8 9.328 -25.449 -2.252 42 HZ3 LYS 8 3HZ LYS 8 9.260 -26.875 -3.158 43 H GLU 9 H GLU 9 8.854 -21.515 -0.039 44 HA GLU 9 HA GLU 9 10.303 -22.300 2.386 45 HB2 GLU 9 1HB GLU 9 9.029 -19.674 1.816 46 HB3 GLU 9 2HB GLU 9 8.827 -20.335 3.432 47 HG2 GLU 9 1HG GLU 9 10.710 -18.942 3.537 48 HG3 GLU 9 2HG GLU 9 11.334 -20.590 3.510 49 H ALA 10 H ALA 10 8.677 -22.424 4.288 50 HA ALA 10 HA ALA 10 5.941 -22.904 3.742 51 HB1 ALA 10 1HB ALA 10 5.918 -25.350 4.050 52 HB2 ALA 10 2HB ALA 10 6.749 -24.860 2.573 53 HB3 ALA 10 3HB ALA 10 7.681 -25.354 3.986 54 H LEU 11 H LEU 11 5.231 -22.060 5.595 55 HA LEU 11 HA LEU 11 5.923 -23.382 8.086 56 HB2 LEU 11 1HB LEU 11 7.573 -21.750 8.229 57 HB3 LEU 11 2HB LEU 11 6.557 -20.523 7.475 58 HG LEU 11 HG LEU 11 5.182 -20.489 9.562 59 HD11 LEU 11 1HD1 LEU 11 6.943 -22.697 10.206 60 HD12 LEU 11 2HD1 LEU 11 5.435 -22.193 10.968 61 HD13 LEU 11 3HD1 LEU 11 6.959 -21.451 11.453 62 HD21 LEU 11 1HD2 LEU 11 6.446 -18.802 10.310 63 HD22 LEU 11 2HD2 LEU 11 7.518 -19.196 8.966 64 HD23 LEU 11 3HD2 LEU 11 7.846 -19.842 10.575 65 H GLU 12 H GLU 12 4.318 -23.273 9.621 66 HA GLU 12 HA GLU 12 1.946 -21.665 8.953 67 HB2 GLU 12 1HB GLU 12 0.598 -23.621 9.892 68 HB3 GLU 12 2HB GLU 12 1.295 -23.826 8.290 69 HG2 GLU 12 1HG GLU 12 3.133 -25.115 9.251 70 HG3 GLU 12 2HG GLU 12 2.433 -24.911 10.856 71 H ALA 13 H ALA 13 1.578 -20.267 10.529 72 HA ALA 13 HA ALA 13 2.044 -21.123 13.310 73 HB1 ALA 13 1HB ALA 13 2.466 -18.315 12.310 74 HB2 ALA 13 2HB ALA 13 2.886 -18.979 13.890 75 HB3 ALA 13 3HB ALA 13 3.760 -19.506 12.451 76 H LEU 14 H LEU 14 0.518 -20.550 14.812 77 HA LEU 14 HA LEU 14 -2.088 -19.915 13.825 78 HB2 LEU 14 1HB LEU 14 -1.077 -20.151 16.655 79 HB3 LEU 14 2HB LEU 14 -2.771 -20.057 16.180 80 HG LEU 14 HG LEU 14 -1.000 -22.278 15.210 81 HD11 LEU 14 1HD1 LEU 14 -2.440 -23.398 17.224 82 HD12 LEU 14 2HD1 LEU 14 -2.032 -21.828 17.915 83 HD13 LEU 14 3HD1 LEU 14 -0.752 -22.901 17.348 84 HD21 LEU 14 1HD2 LEU 14 -3.424 -21.606 14.379 85 HD22 LEU 14 2HD2 LEU 14 -3.899 -22.534 15.801 86 HD23 LEU 14 3HD2 LEU 14 -2.928 -23.291 14.538 87 H VAL 15 H VAL 15 0.297 -18.224 15.833 88 HA VAL 15 HA VAL 15 -1.341 -15.868 16.074 89 HB VAL 15 HB VAL 15 0.247 -16.512 17.850 90 HG11 VAL 15 1HG1 VAL 15 2.420 -15.677 15.937 91 HG12 VAL 15 2HG1 VAL 15 2.614 -16.302 17.576 92 HG13 VAL 15 3HG1 VAL 15 2.010 -17.354 16.295 93 HG21 VAL 15 1HG2 VAL 15 0.610 -13.849 16.504 94 HG22 VAL 15 2HG2 VAL 15 -0.412 -14.249 17.884 95 HG23 VAL 15 3HG2 VAL 15 1.343 -14.227 18.062 96 HA PRO 16 HA PRO 16 -0.137 -13.964 12.277 97 HB2 PRO 16 1HB PRO 16 -0.892 -11.426 12.875 98 HB3 PRO 16 2HB PRO 16 -2.048 -12.705 12.490 99 HG2 PRO 16 1HG PRO 16 -1.212 -11.651 15.163 100 HG3 PRO 16 2HG PRO 16 -2.835 -12.065 14.582 101 HD2 PRO 16 1HD PRO 16 -1.392 -13.715 16.170 102 HD3 PRO 16 2HD PRO 16 -2.528 -14.320 14.946 103 H VAL 17 H VAL 17 1.030 -11.824 11.629 104 HA VAL 17 HA VAL 17 3.087 -11.024 13.528 105 HB VAL 17 HB VAL 17 4.827 -11.368 11.649 106 HG11 VAL 17 1HG1 VAL 17 4.788 -12.560 13.809 107 HG12 VAL 17 2HG1 VAL 17 3.740 -13.784 13.090 108 HG13 VAL 17 3HG1 VAL 17 5.383 -13.565 12.488 109 HG21 VAL 17 1HG2 VAL 17 3.509 -13.784 10.759 110 HG22 VAL 17 2HG2 VAL 17 2.592 -12.343 10.317 111 HG23 VAL 17 3HG2 VAL 17 4.274 -12.506 9.815 112 H THR 18 H THR 18 4.266 -9.135 12.864 113 HA THR 18 HA THR 18 2.679 -7.436 11.092 114 HB THR 18 HB THR 18 4.908 -6.677 12.991 115 HG1 THR 18 1HG THR 18 2.663 -7.474 13.732 116 HG21 THR 18 1HG2 THR 18 4.910 -4.862 11.621 117 HG22 THR 18 2HG2 THR 18 3.525 -4.412 12.616 118 HG23 THR 18 3HG2 THR 18 3.272 -5.163 11.041 119 H ILE 19 H ILE 19 3.553 -6.300 9.364 120 HA ILE 19 HA ILE 19 6.281 -7.051 8.554 121 HB ILE 19 HB ILE 19 5.499 -7.111 6.194 122 HG12 ILE 19 1HG1 ILE 19 2.709 -7.287 7.326 123 HG13 ILE 19 2HG1 ILE 19 3.387 -5.773 6.738 124 HG21 ILE 19 1HG2 ILE 19 5.690 -9.117 7.818 125 HG22 ILE 19 2HG2 ILE 19 3.929 -9.134 7.740 126 HG23 ILE 19 3HG2 ILE 19 4.878 -9.343 6.269 127 HD11 ILE 19 1HD1 ILE 19 1.928 -7.134 5.152 128 HD12 ILE 19 2HD1 ILE 19 3.468 -6.531 4.538 129 HD13 ILE 19 3HD1 ILE 19 3.311 -8.221 5.018 130 H GLU 20 H GLU 20 6.673 -5.625 6.356 131 HA GLU 20 HA GLU 20 5.901 -2.858 6.970 132 HB2 GLU 20 1HB GLU 20 8.654 -3.993 6.707 133 HB3 GLU 20 2HB GLU 20 8.355 -2.350 6.155 134 HG2 GLU 20 1HG GLU 20 7.606 -1.701 8.350 135 HG3 GLU 20 2HG GLU 20 7.752 -3.361 8.925 136 H VAL 21 H VAL 21 5.273 -1.712 5.248 137 HA VAL 21 HA VAL 21 5.939 -2.751 2.570 138 HB VAL 21 HB VAL 21 3.334 -1.383 3.210 139 HG11 VAL 21 1HG1 VAL 21 4.120 -1.440 0.861 140 HG12 VAL 21 2HG1 VAL 21 4.119 -3.203 0.938 141 HG13 VAL 21 3HG1 VAL 21 2.607 -2.312 1.112 142 HG21 VAL 21 1HG2 VAL 21 4.159 -4.140 3.764 143 HG22 VAL 21 2HG2 VAL 21 2.807 -3.208 4.409 144 HG23 VAL 21 3HG2 VAL 21 2.663 -3.998 2.839 145 H GLU 22 H GLU 22 7.025 -1.340 1.378 146 HA GLU 22 HA GLU 22 7.488 1.330 2.208 147 HB2 GLU 22 1HB GLU 22 8.109 -0.179 -0.324 148 HB3 GLU 22 2HB GLU 22 8.512 1.522 -0.137 149 HG2 GLU 22 1HG GLU 22 10.122 1.110 1.449 150 HG3 GLU 22 2HG GLU 22 9.403 -0.425 1.934 151 H VAL 23 H VAL 23 6.035 2.903 2.117 152 HA VAL 23 HA VAL 23 4.629 3.418 -0.373 153 HB VAL 23 HB VAL 23 3.163 2.918 2.218 154 HG11 VAL 23 1HG1 VAL 23 1.541 4.293 1.583 155 HG12 VAL 23 2HG1 VAL 23 2.568 4.839 0.255 156 HG13 VAL 23 3HG1 VAL 23 1.437 3.507 0.008 157 HG21 VAL 23 1HG2 VAL 23 3.206 1.578 -0.467 158 HG22 VAL 23 2HG2 VAL 23 3.446 0.865 1.129 159 HG23 VAL 23 3HG2 VAL 23 1.839 1.398 0.632 160 HA PRO 24 HA PRO 24 5.730 7.506 0.934 161 HB2 PRO 24 1HB PRO 24 4.446 8.840 -1.052 162 HB3 PRO 24 2HB PRO 24 5.969 7.979 -1.302 163 HG2 PRO 24 1HG PRO 24 3.174 7.102 -1.921 164 HG3 PRO 24 2HG PRO 24 4.644 6.929 -2.899 165 HD2 PRO 24 1HD PRO 24 3.627 4.897 -1.426 166 HD3 PRO 24 2HD PRO 24 5.369 5.090 -1.712 167 H PHE 25 H PHE 25 4.836 8.874 2.355 168 HA PHE 25 HA PHE 25 2.275 8.527 3.389 169 HB2 PHE 25 1HB PHE 25 4.152 9.644 4.576 170 HB3 PHE 25 2HB PHE 25 3.955 11.039 3.521 171 HD1 PHE 25 1HD PHE 25 1.660 12.193 3.528 172 HD2 PHE 25 2HD PHE 25 2.961 9.499 6.557 173 HE1 PHE 25 1HE PHE 25 -0.013 13.126 5.072 174 HE2 PHE 25 2HE PHE 25 1.289 10.427 8.105 175 HZ PHE 25 HZ PHE 25 -0.202 12.243 7.363 176 H ASP 26 H ASP 26 3.358 10.347 0.662 177 HA ASP 26 HA ASP 26 1.275 12.219 0.452 178 HB2 ASP 26 1HB ASP 26 2.744 10.934 -1.855 179 HB3 ASP 26 2HB ASP 26 1.966 12.514 -1.832 180 H LEU 27 H LEU 27 1.223 8.856 0.158 181 HA LEU 27 HA LEU 27 -1.186 8.887 -1.518 182 HB2 LEU 27 1HB LEU 27 0.705 6.697 -0.703 183 HB3 LEU 27 2HB LEU 27 -0.850 6.368 -1.466 184 HG LEU 27 HG LEU 27 1.284 8.071 -2.741 185 HD11 LEU 27 1HD1 LEU 27 2.272 6.266 -3.688 186 HD12 LEU 27 2HD1 LEU 27 0.792 5.307 -3.677 187 HD13 LEU 27 3HD1 LEU 27 1.730 5.499 -2.196 188 HD21 LEU 27 1HD2 LEU 27 -1.387 7.751 -3.338 189 HD22 LEU 27 2HD2 LEU 27 -0.589 6.612 -4.422 190 HD23 LEU 27 3HD2 LEU 27 -0.134 8.316 -4.444 191 H HIS 28 H HIS 28 -0.005 8.100 1.678 192 HA HIS 28 HA HIS 28 -1.899 6.547 2.804 193 HB2 HIS 28 1HB HIS 28 -0.619 9.034 3.938 194 HB3 HIS 28 2HB HIS 28 -1.623 7.954 4.901 195 HD2 HIS 28 2HD HIS 28 0.263 5.599 2.793 196 HE1 HIS 28 1HE HIS 28 2.858 6.377 6.057 197 HE2 HIS 28 2HE HIS 28 2.426 4.929 4.042 198 H ARG 29 H ARG 29 -2.204 10.103 2.718 199 HA ARG 29 HA ARG 29 -4.702 10.439 3.706 200 HB2 ARG 29 1HB ARG 29 -4.910 12.439 2.313 201 HB3 ARG 29 2HB ARG 29 -3.284 12.295 2.967 202 HG2 ARG 29 1HG ARG 29 -2.699 11.187 0.727 203 HG3 ARG 29 2HG ARG 29 -4.223 11.868 0.158 204 HD2 ARG 29 1HD ARG 29 -2.313 13.647 1.589 205 HD3 ARG 29 2HD ARG 29 -1.951 13.188 -0.074 206 HE ARG 29 HE ARG 29 -4.549 14.032 -0.137 207 HH11 ARG 29 1HH1 ARG 29 -1.521 15.416 0.878 208 HH12 ARG 29 2HH1 ARG 29 -1.988 17.042 0.504 209 HH21 ARG 29 1HH2 ARG 29 -5.177 16.168 -0.634 210 HH22 ARG 29 2HH2 ARG 29 -4.070 17.469 -0.355 211 H TYR 30 H TYR 30 -3.873 9.253 0.503 212 HA TYR 30 HA TYR 30 -6.618 9.213 -0.388 213 HB2 TYR 30 1HB TYR 30 -4.150 7.990 -1.640 214 HB3 TYR 30 2HB TYR 30 -5.719 8.165 -2.416 215 HD1 TYR 30 2HD TYR 30 -6.428 10.924 -1.541 216 HD2 TYR 30 1HD TYR 30 -2.755 9.321 -2.970 217 HE1 TYR 30 2HE TYR 30 -5.780 13.152 -2.357 218 HE2 TYR 30 1HE TYR 30 -2.096 11.544 -3.789 219 HH TYR 30 HH TYR 30 -3.300 13.672 -4.508 220 H VAL 31 H VAL 31 -4.235 6.898 0.792 221 HA VAL 31 HA VAL 31 -5.769 4.566 0.302 222 HB VAL 31 HB VAL 31 -3.627 4.963 2.396 223 HG11 VAL 31 1HG1 VAL 31 -4.239 2.898 2.992 224 HG12 VAL 31 2HG1 VAL 31 -5.225 2.679 1.545 225 HG13 VAL 31 3HG1 VAL 31 -3.489 2.375 1.484 226 HG21 VAL 31 1HG2 VAL 31 -3.342 3.972 -0.439 227 HG22 VAL 31 2HG2 VAL 31 -2.883 5.581 0.120 228 HG23 VAL 31 3HG2 VAL 31 -2.051 4.160 0.748 229 H ILE 32 H ILE 32 -5.072 6.221 3.390 230 HA ILE 32 HA ILE 32 -6.904 4.776 4.930 231 HB ILE 32 HB ILE 32 -5.979 7.617 5.379 232 HG12 ILE 32 1HG1 ILE 32 -4.823 5.142 6.644 233 HG13 ILE 32 2HG1 ILE 32 -4.224 5.742 5.101 234 HG21 ILE 32 1HG2 ILE 32 -7.653 7.430 6.913 235 HG22 ILE 32 2HG2 ILE 32 -7.520 5.674 7.008 236 HG23 ILE 32 3HG2 ILE 32 -6.342 6.692 7.835 237 HD11 ILE 32 1HD1 ILE 32 -2.820 6.546 6.865 238 HD12 ILE 32 2HD1 ILE 32 -3.726 7.903 6.195 239 HD13 ILE 32 3HD1 ILE 32 -4.210 7.193 7.735 240 H GLY 33 H GLY 33 -7.267 7.900 3.270 241 HA2 GLY 33 1HA GLY 33 -9.134 9.122 2.729 242 HA3 GLY 33 2HA GLY 33 -9.917 7.559 2.537 243 H GLN 34 H GLN 34 -11.889 8.121 3.378 244 HA GLN 34 HA GLN 34 -12.448 9.673 5.576 245 HB2 GLN 34 1HB GLN 34 -13.850 7.388 4.266 246 HB3 GLN 34 2HB GLN 34 -14.465 7.978 5.804 247 HG2 GLN 34 1HG GLN 34 -15.644 9.037 4.001 248 HG3 GLN 34 2HG GLN 34 -14.655 10.231 4.841 249 HE21 GLN 34 1HE2 GLN 34 -13.794 11.623 3.495 250 HE22 GLN 34 2HE2 GLN 34 -13.191 11.281 1.913 251 H LYS 35 H LYS 35 -13.632 8.600 7.602 252 HA LYS 35 HA LYS 35 -11.722 7.760 9.368 253 HB2 LYS 35 1HB LYS 35 -14.653 7.016 9.407 254 HB3 LYS 35 2HB LYS 35 -13.563 6.925 10.784 255 HG2 LYS 35 1HG LYS 35 -13.263 9.328 10.744 256 HG3 LYS 35 2HG LYS 35 -14.279 9.450 9.305 257 HD2 LYS 35 1HD LYS 35 -16.212 9.075 10.472 258 HD3 LYS 35 2HD LYS 35 -15.406 8.104 11.707 259 HE2 LYS 35 1HE LYS 35 -15.844 10.005 12.905 260 HE3 LYS 35 2HE LYS 35 -14.244 10.395 12.276 261 HZ1 LYS 35 1HZ LYS 35 -16.868 11.370 11.317 262 HZ2 LYS 35 2HZ LYS 35 -15.464 11.508 10.384 263 HZ3 LYS 35 3HZ LYS 35 -15.558 12.277 11.888 264 H GLY 36 H GLY 36 -10.350 6.209 8.457 265 HA2 GLY 36 1HA GLY 36 -9.727 4.115 7.650 266 HA3 GLY 36 2HA GLY 36 -10.488 3.639 9.161 267 H SER 37 H SER 37 -11.966 4.900 6.194 268 HA SER 37 HA SER 37 -13.719 2.553 6.165 269 HB2 SER 37 1HB SER 37 -15.299 3.842 5.031 270 HB3 SER 37 2HB SER 37 -14.534 5.032 6.084 271 HG SER 37 HG SER 37 -14.801 5.293 3.568 272 H GLY 38 H GLY 38 -11.494 4.379 4.115 273 HA2 GLY 38 1HA GLY 38 -11.882 2.816 1.776 274 HA3 GLY 38 2HA GLY 38 -10.514 3.872 2.097 275 H ILE 39 H ILE 39 -9.603 2.591 4.466 276 HA ILE 39 HA ILE 39 -8.110 0.452 3.266 277 HB ILE 39 HB ILE 39 -8.117 1.589 6.058 278 HG12 ILE 39 1HG1 ILE 39 -5.983 1.669 3.918 279 HG13 ILE 39 2HG1 ILE 39 -7.168 2.947 4.160 280 HG21 ILE 39 1HG2 ILE 39 -7.431 -0.554 6.524 281 HG22 ILE 39 2HG2 ILE 39 -6.713 -0.785 4.930 282 HG23 ILE 39 3HG2 ILE 39 -5.891 0.211 6.129 283 HD11 ILE 39 1HD1 ILE 39 -5.195 3.633 5.246 284 HD12 ILE 39 2HD1 ILE 39 -6.310 3.132 6.518 285 HD13 ILE 39 3HD1 ILE 39 -4.992 2.067 6.029 286 H ARG 40 H ARG 40 -10.666 0.731 5.679 287 HA ARG 40 HA ARG 40 -10.783 -1.667 6.881 288 HB2 ARG 40 1HB ARG 40 -12.479 0.194 7.036 289 HB3 ARG 40 2HB ARG 40 -13.216 -0.449 5.574 290 HG2 ARG 40 1HG ARG 40 -14.510 -1.428 7.186 291 HG3 ARG 40 2HG ARG 40 -13.285 -2.675 6.942 292 HD2 ARG 40 1HD ARG 40 -12.033 -1.371 8.842 293 HD3 ARG 40 2HD ARG 40 -13.652 -0.784 9.220 294 HE ARG 40 HE ARG 40 -13.821 -3.544 8.975 295 HH11 ARG 40 1HH1 ARG 40 -12.231 -1.215 11.018 296 HH12 ARG 40 2HH1 ARG 40 -12.217 -2.249 12.407 297 HH21 ARG 40 1HH2 ARG 40 -13.808 -4.915 10.798 298 HH22 ARG 40 2HH2 ARG 40 -13.113 -4.354 12.281 299 H LYS 41 H LYS 41 -11.878 -1.042 3.564 300 HA LYS 41 HA LYS 41 -13.025 -3.349 2.796 301 HB2 LYS 41 1HB LYS 41 -12.568 -1.462 1.279 302 HB3 LYS 41 2HB LYS 41 -10.870 -1.918 1.229 303 HG2 LYS 41 1HG LYS 41 -11.851 -2.736 -0.754 304 HG3 LYS 41 2HG LYS 41 -11.601 -4.134 0.294 305 HD2 LYS 41 1HD LYS 41 -13.987 -3.904 1.023 306 HD3 LYS 41 2HD LYS 41 -14.185 -2.666 -0.220 307 HE2 LYS 41 1HE LYS 41 -13.300 -5.506 -0.726 308 HE3 LYS 41 2HE LYS 41 -14.943 -4.905 -0.948 309 HZ1 LYS 41 1HZ LYS 41 -12.862 -3.405 -2.304 310 HZ2 LYS 41 2HZ LYS 41 -14.397 -3.862 -2.847 311 HZ3 LYS 41 3HZ LYS 41 -13.121 -4.972 -2.886 312 H MET 42 H MET 42 -9.489 -2.866 2.786 313 HA MET 42 HA MET 42 -8.859 -5.534 2.136 314 HB2 MET 42 1HB MET 42 -7.187 -3.478 3.592 315 HB3 MET 42 2HB MET 42 -6.579 -4.966 2.879 316 HG2 MET 42 1HG MET 42 -7.052 -4.212 0.683 317 HG3 MET 42 2HG MET 42 -7.975 -2.838 1.287 318 HE1 MET 42 1HE MET 42 -4.761 -4.633 0.987 319 HE2 MET 42 2HE MET 42 -3.518 -3.389 0.857 320 HE3 MET 42 3HE MET 42 -4.051 -3.942 2.446 321 H MET 43 H MET 43 -8.500 -3.867 5.274 322 HA MET 43 HA MET 43 -7.811 -5.950 6.873 323 HB2 MET 43 1HB MET 43 -9.871 -3.897 7.680 324 HB3 MET 43 2HB MET 43 -8.755 -4.759 8.732 325 HG2 MET 43 1HG MET 43 -6.948 -3.602 7.221 326 HG3 MET 43 2HG MET 43 -8.260 -2.469 6.905 327 HE1 MET 43 1HE MET 43 -8.515 -0.291 9.800 328 HE2 MET 43 2HE MET 43 -9.008 -0.784 8.180 329 HE3 MET 43 3HE MET 43 -9.725 -1.560 9.593 330 H ASP 44 H ASP 44 -10.924 -5.363 5.429 331 HA ASP 44 HA ASP 44 -12.219 -7.433 7.007 332 HB2 ASP 44 1HB ASP 44 -13.117 -5.392 5.023 333 HB3 ASP 44 2HB ASP 44 -14.108 -6.833 5.239 334 H GLU 45 H GLU 45 -11.034 -6.913 3.734 335 HA GLU 45 HA GLU 45 -12.045 -9.415 2.745 336 HB2 GLU 45 1HB GLU 45 -11.837 -7.856 1.043 337 HB3 GLU 45 2HB GLU 45 -10.311 -7.236 1.656 338 HG2 GLU 45 1HG GLU 45 -9.076 -8.886 0.661 339 HG3 GLU 45 2HG GLU 45 -10.419 -10.028 0.640 340 H PHE 46 H PHE 46 -8.724 -8.182 3.196 341 HA PHE 46 HA PHE 46 -7.634 -10.845 3.087 342 HB2 PHE 46 1HB PHE 46 -6.368 -8.164 3.684 343 HB3 PHE 46 2HB PHE 46 -5.470 -9.675 3.577 344 HD1 PHE 46 1HD PHE 46 -5.556 -10.958 1.386 345 HD2 PHE 46 2HD PHE 46 -6.838 -6.918 1.775 346 HE1 PHE 46 1HE PHE 46 -5.339 -10.659 -1.046 347 HE2 PHE 46 2HE PHE 46 -6.624 -6.612 -0.657 348 HZ PHE 46 HZ PHE 46 -5.874 -8.484 -2.072 349 H GLU 47 H GLU 47 -9.439 -9.633 5.354 350 HA GLU 47 HA GLU 47 -9.510 -9.621 7.661 351 HB2 GLU 47 1HB GLU 47 -8.355 -12.351 7.063 352 HB3 GLU 47 2HB GLU 47 -9.128 -11.891 8.573 353 HG2 GLU 47 1HG GLU 47 -11.169 -11.323 7.146 354 HG3 GLU 47 2HG GLU 47 -10.365 -12.231 5.867 355 H VAL 48 H VAL 48 -7.435 -8.085 7.164 356 HA VAL 48 HA VAL 48 -5.401 -8.987 9.088 357 HB VAL 48 HB VAL 48 -3.794 -7.520 7.651 358 HG11 VAL 48 1HG1 VAL 48 -2.898 -9.542 7.463 359 HG12 VAL 48 2HG1 VAL 48 -4.478 -10.305 7.650 360 HG13 VAL 48 3HG1 VAL 48 -3.915 -9.821 6.050 361 HG21 VAL 48 1HG2 VAL 48 -5.390 -6.633 6.096 362 HG22 VAL 48 2HG2 VAL 48 -4.303 -7.712 5.220 363 HG23 VAL 48 3HG2 VAL 48 -5.926 -8.253 5.649 364 H ASN 49 H ASN 49 -3.940 -6.956 9.626 365 HA ASN 49 HA ASN 49 -5.734 -4.665 10.084 366 HB2 ASN 49 1HB ASN 49 -3.840 -6.035 11.979 367 HB3 ASN 49 2HB ASN 49 -4.326 -4.360 12.230 368 HD21 ASN 49 1HD2 ASN 49 -5.202 -5.196 14.234 369 HD22 ASN 49 2HD2 ASN 49 -6.777 -5.907 14.234 370 H ILE 50 H ILE 50 -5.030 -2.902 9.096 371 HA ILE 50 HA ILE 50 -2.171 -2.655 8.483 372 HB ILE 50 HB ILE 50 -4.530 -1.168 7.324 373 HG12 ILE 50 1HG1 ILE 50 -2.719 -3.052 5.844 374 HG13 ILE 50 2HG1 ILE 50 -4.086 -3.670 6.762 375 HG21 ILE 50 1HG2 ILE 50 -2.289 0.052 7.488 376 HG22 ILE 50 2HG2 ILE 50 -1.715 -1.105 6.288 377 HG23 ILE 50 3HG2 ILE 50 -3.058 -0.029 5.904 378 HD11 ILE 50 1HD1 ILE 50 -5.565 -2.997 5.231 379 HD12 ILE 50 2HD1 ILE 50 -4.744 -1.458 4.969 380 HD13 ILE 50 3HD1 ILE 50 -4.166 -2.914 4.160 381 H HIS 51 H HIS 51 -0.950 -0.996 9.224 382 HA HIS 51 HA HIS 51 -2.283 1.100 10.798 383 HB2 HIS 51 1HB HIS 51 -0.120 -0.770 11.632 384 HB3 HIS 51 2HB HIS 51 -0.028 0.893 12.205 385 HD1 HIS 51 1HD HIS 51 -0.504 -1.488 14.132 386 HD2 HIS 51 2HD HIS 51 -3.511 0.863 12.492 387 HE1 HIS 51 1HE HIS 51 -2.463 -1.714 15.693 388 H VAL 52 H VAL 52 -1.761 3.067 10.125 389 HA VAL 52 HA VAL 52 0.678 3.401 8.516 390 HB VAL 52 HB VAL 52 -1.750 5.196 8.653 391 HG11 VAL 52 1HG1 VAL 52 0.505 6.225 8.085 392 HG12 VAL 52 2HG1 VAL 52 0.454 5.257 6.610 393 HG13 VAL 52 3HG1 VAL 52 -0.795 6.465 6.917 394 HG21 VAL 52 1HG2 VAL 52 -0.975 2.969 6.817 395 HG22 VAL 52 2HG2 VAL 52 -2.542 3.330 7.541 396 HG23 VAL 52 3HG2 VAL 52 -1.937 4.317 6.212 397 HA PRO 53 HA PRO 53 2.488 5.778 11.765 398 HB2 PRO 53 1HB PRO 53 4.407 7.022 10.302 399 HB3 PRO 53 2HB PRO 53 4.503 5.317 10.761 400 HG2 PRO 53 1HG PRO 53 3.638 6.535 8.166 401 HG3 PRO 53 2HG PRO 53 4.675 5.125 8.450 402 HD2 PRO 53 1HD PRO 53 2.061 4.899 7.784 403 HD3 PRO 53 2HD PRO 53 2.884 3.726 8.832 404 H ALA 54 H ALA 54 2.051 7.706 12.658 405 HA ALA 54 HA ALA 54 0.310 9.547 11.523 406 HB1 ALA 54 1HB ALA 54 0.333 9.823 13.769 407 HB2 ALA 54 2HB ALA 54 2.063 9.506 13.902 408 HB3 ALA 54 3HB ALA 54 1.495 11.086 13.364 409 HA PRO 55 HA PRO 55 2.646 12.232 8.957 410 HB2 PRO 55 1HB PRO 55 1.633 14.673 9.572 411 HB3 PRO 55 2HB PRO 55 0.731 13.463 8.655 412 HG2 PRO 55 1HG PRO 55 0.558 14.152 11.563 413 HG3 PRO 55 2HG PRO 55 -0.750 13.828 10.411 414 HD2 PRO 55 1HD PRO 55 0.126 11.975 12.179 415 HD3 PRO 55 2HD PRO 55 -0.497 11.544 10.574 416 H GLU 56 H GLU 56 2.738 12.687 12.382 417 HA GLU 56 HA GLU 56 4.736 14.744 12.383 418 HB2 GLU 56 1HB GLU 56 4.893 14.240 14.814 419 HB3 GLU 56 2HB GLU 56 3.255 14.579 14.274 420 HG2 GLU 56 1HG GLU 56 2.604 12.347 14.455 421 HG3 GLU 56 2HG GLU 56 4.269 11.771 14.500 422 H LEU 57 H LEU 57 4.737 11.321 12.101 423 HA LEU 57 HA LEU 57 7.489 11.006 12.947 424 HB2 LEU 57 1HB LEU 57 5.504 9.093 11.735 425 HB3 LEU 57 2HB LEU 57 7.149 8.648 12.187 426 HG LEU 57 HG LEU 57 5.057 9.655 14.113 427 HD11 LEU 57 1HD1 LEU 57 4.483 7.462 13.125 428 HD12 LEU 57 2HD1 LEU 57 4.828 7.375 14.852 429 HD13 LEU 57 3HD1 LEU 57 6.033 6.836 13.683 430 HD21 LEU 57 1HD2 LEU 57 7.875 8.674 14.406 431 HD22 LEU 57 2HD2 LEU 57 6.723 8.575 15.738 432 HD23 LEU 57 3HD2 LEU 57 7.139 10.144 15.045 433 H GLN 58 H GLN 58 5.707 11.477 10.011 434 HA GLN 58 HA GLN 58 6.332 11.734 7.839 435 HB2 GLN 58 1HB GLN 58 9.147 12.138 8.830 436 HB3 GLN 58 2HB GLN 58 8.385 12.832 7.406 437 HG2 GLN 58 1HG GLN 58 6.857 14.081 8.956 438 HG3 GLN 58 2HG GLN 58 7.878 13.528 10.283 439 HE21 GLN 58 1HE2 GLN 58 7.343 15.971 8.119 440 HE22 GLN 58 2HE2 GLN 58 8.879 16.758 8.200 441 H SER 59 H SER 59 6.269 9.096 8.822 442 HA SER 59 HA SER 59 8.578 7.782 7.592 443 HB2 SER 59 1HB SER 59 7.613 7.146 9.905 444 HB3 SER 59 2HB SER 59 6.323 6.364 8.994 445 HG SER 59 HG SER 59 7.730 4.769 9.071 446 H ASP 60 H ASP 60 8.446 6.542 5.787 447 HA ASP 60 HA ASP 60 5.883 6.605 4.348 448 HB2 ASP 60 1HB ASP 60 8.653 6.125 3.231 449 HB3 ASP 60 2HB ASP 60 7.171 6.347 2.305 450 H ILE 61 H ILE 61 6.808 4.640 6.432 451 HA ILE 61 HA ILE 61 6.539 2.203 4.794 452 HB ILE 61 HB ILE 61 7.787 2.222 7.528 453 HG12 ILE 61 1HG1 ILE 61 9.012 3.782 5.972 454 HG13 ILE 61 2HG1 ILE 61 9.970 2.431 6.567 455 HG21 ILE 61 1HG2 ILE 61 8.956 0.213 6.243 456 HG22 ILE 61 2HG2 ILE 61 7.395 0.036 7.043 457 HG23 ILE 61 3HG2 ILE 61 7.469 0.293 5.300 458 HD11 ILE 61 1HD1 ILE 61 9.674 1.267 4.465 459 HD12 ILE 61 2HD1 ILE 61 8.647 2.571 3.869 460 HD13 ILE 61 3HD1 ILE 61 10.353 2.871 4.195 461 H ILE 62 H ILE 62 4.707 1.132 5.086 462 HA ILE 62 HA ILE 62 3.083 1.716 7.453 463 HB ILE 62 HB ILE 62 2.408 0.501 4.782 464 HG12 ILE 62 1HG1 ILE 62 1.293 2.907 6.240 465 HG13 ILE 62 2HG1 ILE 62 2.535 2.981 4.993 466 HG21 ILE 62 1HG2 ILE 62 0.018 0.757 6.107 467 HG22 ILE 62 2HG2 ILE 62 0.886 -0.752 5.832 468 HG23 ILE 62 3HG2 ILE 62 1.090 0.117 7.353 469 HD11 ILE 62 1HD1 ILE 62 0.089 1.559 4.226 470 HD12 ILE 62 2HD1 ILE 62 -0.104 3.283 4.541 471 HD13 ILE 62 3HD1 ILE 62 1.055 2.731 3.332 472 H ALA 63 H ALA 63 2.475 0.186 8.905 473 HA ALA 63 HA ALA 63 3.813 -2.416 8.688 474 HB1 ALA 63 1HB ALA 63 4.200 -0.938 10.690 475 HB2 ALA 63 2HB ALA 63 2.525 -1.248 11.145 476 HB3 ALA 63 3HB ALA 63 3.674 -2.582 11.050 477 H ILE 64 H ILE 64 2.693 -4.220 8.338 478 HA ILE 64 HA ILE 64 -0.228 -4.146 8.729 479 HB ILE 64 HB ILE 64 1.138 -5.895 6.699 480 HG12 ILE 64 1HG1 ILE 64 -0.007 -3.127 6.268 481 HG13 ILE 64 2HG1 ILE 64 1.695 -3.566 6.164 482 HG21 ILE 64 1HG2 ILE 64 -1.068 -6.023 5.713 483 HG22 ILE 64 2HG2 ILE 64 -1.143 -6.479 7.415 484 HG23 ILE 64 3HG2 ILE 64 -1.694 -4.883 6.904 485 HD11 ILE 64 1HD1 ILE 64 0.870 -3.408 3.956 486 HD12 ILE 64 2HD1 ILE 64 1.071 -5.125 4.304 487 HD13 ILE 64 3HD1 ILE 64 -0.537 -4.401 4.337 488 H THR 65 H THR 65 -1.068 -5.639 10.034 489 HA THR 65 HA THR 65 0.683 -7.821 10.943 490 HB THR 65 HB THR 65 -1.824 -6.884 12.332 491 HG1 THR 65 1HG THR 65 0.852 -5.947 12.583 492 HG21 THR 65 1HG2 THR 65 -0.246 -9.097 12.734 493 HG22 THR 65 2HG2 THR 65 -1.302 -8.360 13.940 494 HG23 THR 65 3HG2 THR 65 0.410 -7.940 13.891 495 H GLY 66 H GLY 66 0.020 -9.934 10.887 496 HA2 GLY 66 1HA GLY 66 -2.432 -11.055 10.697 497 HA3 GLY 66 2HA GLY 66 -2.123 -10.542 9.044 498 H LEU 67 H LEU 67 -2.507 -13.112 9.238 499 HA LEU 67 HA LEU 67 -0.259 -14.687 9.939 500 HB2 LEU 67 1HB LEU 67 -2.652 -15.200 8.195 501 HB3 LEU 67 2HB LEU 67 -1.408 -16.416 8.477 502 HG LEU 67 HG LEU 67 -3.134 -15.160 10.610 503 HD11 LEU 67 1HD1 LEU 67 -3.575 -17.377 8.801 504 HD12 LEU 67 2HD1 LEU 67 -4.690 -16.587 9.914 505 HD13 LEU 67 3HD1 LEU 67 -3.635 -17.879 10.490 506 HD21 LEU 67 1HD2 LEU 67 -2.202 -17.117 11.936 507 HD22 LEU 67 2HD2 LEU 67 -1.102 -15.775 11.621 508 HD23 LEU 67 3HD2 LEU 67 -0.982 -17.256 10.670 509 H ALA 68 H ALA 68 1.477 -15.345 8.790 510 HA ALA 68 HA ALA 68 2.670 -13.941 6.847 511 HB1 ALA 68 1HB ALA 68 2.715 -16.925 7.231 512 HB2 ALA 68 2HB ALA 68 3.788 -16.082 6.114 513 HB3 ALA 68 3HB ALA 68 3.860 -15.730 7.841 514 H ALA 69 H ALA 69 0.291 -16.504 6.271 515 HA ALA 69 HA ALA 69 0.424 -16.504 3.467 516 HB1 ALA 69 1HB ALA 69 -2.106 -17.274 3.859 517 HB2 ALA 69 2HB ALA 69 -0.725 -18.331 4.155 518 HB3 ALA 69 3HB ALA 69 -1.489 -17.480 5.498 519 H ASN 70 H ASN 70 -1.666 -14.699 5.699 520 HA ASN 70 HA ASN 70 -3.152 -13.385 3.671 521 HB2 ASN 70 1HB ASN 70 -2.685 -12.534 6.539 522 HB3 ASN 70 2HB ASN 70 -3.952 -11.931 5.474 523 HD21 ASN 70 1HD2 ASN 70 -4.803 -12.873 7.763 524 HD22 ASN 70 2HD2 ASN 70 -5.520 -14.436 7.600 525 H LEU 71 H LEU 71 -0.430 -12.332 5.707 526 HA LEU 71 HA LEU 71 -0.117 -9.747 4.894 527 HB2 LEU 71 1HB LEU 71 2.148 -11.702 5.245 528 HB3 LEU 71 2HB LEU 71 2.232 -9.950 5.409 529 HG LEU 71 HG LEU 71 0.524 -11.644 7.212 530 HD11 LEU 71 1HD1 LEU 71 2.287 -12.374 8.339 531 HD12 LEU 71 2HD1 LEU 71 2.944 -10.742 8.456 532 HD13 LEU 71 3HD1 LEU 71 3.322 -11.746 7.056 533 HD21 LEU 71 1HD2 LEU 71 -0.145 -9.585 7.778 534 HD22 LEU 71 2HD2 LEU 71 1.218 -8.814 6.966 535 HD23 LEU 71 3HD2 LEU 71 1.413 -9.462 8.595 536 H ASP 72 H ASP 72 0.843 -12.658 3.154 537 HA ASP 72 HA ASP 72 2.285 -11.384 1.090 538 HB2 ASP 72 1HB ASP 72 1.047 -14.065 1.483 539 HB3 ASP 72 2HB ASP 72 1.467 -13.594 -0.161 540 H ARG 73 H ARG 73 -1.043 -12.675 1.087 541 HA ARG 73 HA ARG 73 -1.767 -11.726 -1.434 542 HB2 ARG 73 1HB ARG 73 -3.821 -11.802 0.725 543 HB3 ARG 73 2HB ARG 73 -3.906 -12.404 -0.925 544 HG2 ARG 73 1HG ARG 73 -2.082 -14.092 -0.009 545 HG3 ARG 73 2HG ARG 73 -2.872 -13.710 1.523 546 HD2 ARG 73 1HD ARG 73 -3.844 -15.688 0.418 547 HD3 ARG 73 2HD ARG 73 -5.013 -14.385 0.634 548 HE ARG 73 HE ARG 73 -3.854 -14.145 -1.907 549 HH11 ARG 73 1HH1 ARG 73 -5.983 -16.252 -0.134 550 HH12 ARG 73 2HH1 ARG 73 -6.850 -16.774 -1.540 551 HH21 ARG 73 1HH2 ARG 73 -4.987 -14.825 -3.766 552 HH22 ARG 73 2HH2 ARG 73 -6.282 -15.963 -3.606 553 H ALA 74 H ALA 74 -2.478 -10.276 1.747 554 HA ALA 74 HA ALA 74 -3.691 -7.948 0.842 555 HB1 ALA 74 1HB ALA 74 -2.112 -7.404 3.183 556 HB2 ALA 74 2HB ALA 74 -3.863 -7.546 3.019 557 HB3 ALA 74 3HB ALA 74 -2.884 -8.985 3.310 558 H LYS 75 H LYS 75 -0.308 -8.237 1.949 559 HA LYS 75 HA LYS 75 0.635 -5.772 1.290 560 HB2 LYS 75 1HB LYS 75 1.974 -7.533 2.383 561 HB3 LYS 75 2HB LYS 75 2.098 -8.381 0.846 562 HG2 LYS 75 1HG LYS 75 3.285 -6.436 -0.096 563 HG3 LYS 75 2HG LYS 75 3.220 -5.661 1.488 564 HD2 LYS 75 1HD LYS 75 4.626 -7.299 2.453 565 HD3 LYS 75 2HD LYS 75 4.448 -8.376 1.065 566 HE2 LYS 75 1HE LYS 75 5.788 -6.998 -0.300 567 HE3 LYS 75 2HE LYS 75 5.693 -5.649 0.831 568 HZ1 LYS 75 1HZ LYS 75 6.926 -8.188 1.669 569 HZ2 LYS 75 2HZ LYS 75 7.197 -6.626 2.256 570 HZ3 LYS 75 3HZ LYS 75 7.817 -7.083 0.750 571 H ALA 76 H ALA 76 0.115 -8.485 -0.904 572 HA ALA 76 HA ALA 76 1.324 -7.388 -3.187 573 HB1 ALA 76 1HB ALA 76 0.747 -9.340 -4.076 574 HB2 ALA 76 2HB ALA 76 -0.055 -9.732 -2.555 575 HB3 ALA 76 3HB ALA 76 -0.969 -8.990 -3.869 576 H GLY 77 H GLY 77 -1.966 -7.105 -1.915 577 HA2 GLY 77 1HA GLY 77 -3.053 -5.725 -4.136 578 HA3 GLY 77 2HA GLY 77 -3.717 -5.742 -2.509 579 H LEU 78 H LEU 78 -1.479 -4.604 -1.179 580 HA LEU 78 HA LEU 78 -2.031 -1.849 -1.607 581 HB2 LEU 78 1HB LEU 78 -1.396 -2.982 0.570 582 HB3 LEU 78 2HB LEU 78 0.264 -2.973 -0.021 583 HG LEU 78 HG LEU 78 0.139 -0.489 -0.145 584 HD11 LEU 78 1HD1 LEU 78 -2.514 -0.945 1.207 585 HD12 LEU 78 2HD1 LEU 78 -2.229 -0.167 -0.350 586 HD13 LEU 78 3HD1 LEU 78 -1.680 0.608 1.137 587 HD21 LEU 78 1HD2 LEU 78 0.579 -2.133 2.032 588 HD22 LEU 78 2HD2 LEU 78 -0.514 -0.895 2.654 589 HD23 LEU 78 3HD2 LEU 78 1.013 -0.429 1.903 590 H LEU 79 H LEU 79 0.928 -3.785 -2.053 591 HA LEU 79 HA LEU 79 2.617 -1.868 -3.044 592 HB2 LEU 79 1HB LEU 79 2.320 -4.767 -3.773 593 HB3 LEU 79 2HB LEU 79 3.610 -3.760 -4.426 594 HG LEU 79 HG LEU 79 3.172 -4.364 -1.501 595 HD11 LEU 79 1HD1 LEU 79 5.636 -5.347 -2.375 596 HD12 LEU 79 2HD1 LEU 79 4.467 -5.848 -3.597 597 HD13 LEU 79 3HD1 LEU 79 4.214 -6.279 -1.906 598 HD21 LEU 79 1HD2 LEU 79 4.217 -2.276 -1.590 599 HD22 LEU 79 2HD2 LEU 79 5.192 -2.719 -2.991 600 HD23 LEU 79 3HD2 LEU 79 5.550 -3.418 -1.411 601 H GLU 80 H GLU 80 0.175 -3.713 -4.826 602 HA GLU 80 HA GLU 80 0.804 -2.564 -7.357 603 HB2 GLU 80 1HB GLU 80 -1.470 -4.201 -6.288 604 HB3 GLU 80 2HB GLU 80 -1.596 -3.457 -7.876 605 HG2 GLU 80 1HG GLU 80 0.672 -4.594 -8.337 606 HG3 GLU 80 2HG GLU 80 0.273 -5.591 -6.939 607 H ARG 81 H ARG 81 -1.426 -1.770 -4.766 608 HA ARG 81 HA ARG 81 -2.995 0.110 -6.160 609 HB2 ARG 81 1HB ARG 81 -3.260 -0.999 -3.775 610 HB3 ARG 81 2HB ARG 81 -2.430 0.459 -3.249 611 HG2 ARG 81 1HG ARG 81 -4.699 0.958 -3.039 612 HG3 ARG 81 2HG ARG 81 -4.211 1.740 -4.545 613 HD2 ARG 81 1HD ARG 81 -5.106 -0.147 -5.815 614 HD3 ARG 81 2HD ARG 81 -5.583 -0.936 -4.312 615 HE ARG 81 HE ARG 81 -6.734 1.634 -4.450 616 HH11 ARG 81 1HH1 ARG 81 -6.990 -1.535 -5.868 617 HH12 ARG 81 2HH1 ARG 81 -8.673 -1.375 -6.242 618 HH21 ARG 81 1HH2 ARG 81 -8.951 1.857 -4.935 619 HH22 ARG 81 2HH2 ARG 81 -9.789 0.556 -5.712 620 H VAL 82 H VAL 82 0.056 0.377 -4.428 621 HA VAL 82 HA VAL 82 0.172 3.233 -4.540 622 HB VAL 82 HB VAL 82 2.372 1.218 -4.062 623 HG11 VAL 82 1HG1 VAL 82 3.844 2.884 -3.939 624 HG12 VAL 82 2HG1 VAL 82 2.621 3.913 -4.686 625 HG13 VAL 82 3HG1 VAL 82 2.768 3.849 -2.930 626 HG21 VAL 82 1HG2 VAL 82 0.242 2.282 -2.397 627 HG22 VAL 82 2HG2 VAL 82 1.325 0.919 -2.113 628 HG23 VAL 82 3HG2 VAL 82 1.841 2.555 -1.705 629 H LYS 83 H LYS 83 1.524 0.596 -6.467 630 HA LYS 83 HA LYS 83 3.108 2.232 -8.156 631 HB2 LYS 83 1HB LYS 83 2.024 -0.566 -8.416 632 HB3 LYS 83 2HB LYS 83 2.970 0.182 -9.696 633 HG2 LYS 83 1HG LYS 83 4.867 0.404 -8.243 634 HG3 LYS 83 2HG LYS 83 3.926 -0.164 -6.863 635 HD2 LYS 83 1HD LYS 83 3.556 -2.299 -8.221 636 HD3 LYS 83 2HD LYS 83 4.853 -1.714 -9.265 637 HE2 LYS 83 1HE LYS 83 6.230 -1.482 -7.128 638 HE3 LYS 83 2HE LYS 83 4.978 -2.453 -6.354 639 HZ1 LYS 83 1HZ LYS 83 5.980 -4.252 -7.127 640 HZ2 LYS 83 2HZ LYS 83 7.135 -3.317 -7.934 641 HZ3 LYS 83 3HZ LYS 83 5.696 -3.742 -8.716 642 H GLU 84 H GLU 84 -0.253 1.373 -8.126 643 HA GLU 84 HA GLU 84 -0.661 2.362 -10.840 644 HB2 GLU 84 1HB GLU 84 -2.278 0.815 -8.882 645 HB3 GLU 84 2HB GLU 84 -3.151 1.822 -10.029 646 HG2 GLU 84 1HG GLU 84 -1.053 -0.098 -10.956 647 HG3 GLU 84 2HG GLU 84 -2.699 -0.634 -10.626 648 H LEU 85 H LEU 85 -1.233 3.263 -7.509 649 HA LEU 85 HA LEU 85 -2.998 5.426 -8.042 650 HB2 LEU 85 1HB LEU 85 -1.374 4.532 -5.707 651 HB3 LEU 85 2HB LEU 85 -2.071 6.151 -5.696 652 HG LEU 85 HG LEU 85 -3.739 3.684 -6.123 653 HD11 LEU 85 1HD1 LEU 85 -4.249 3.656 -3.786 654 HD12 LEU 85 2HD1 LEU 85 -3.247 5.078 -3.498 655 HD13 LEU 85 3HD1 LEU 85 -2.497 3.553 -3.970 656 HD21 LEU 85 1HD2 LEU 85 -4.601 6.299 -4.948 657 HD22 LEU 85 2HD2 LEU 85 -5.569 5.059 -5.744 658 HD23 LEU 85 3HD2 LEU 85 -4.498 6.087 -6.696 659 H GLN 86 H GLN 86 0.460 5.352 -7.173 660 HA GLN 86 HA GLN 86 0.938 8.088 -7.454 661 HB2 GLN 86 1HB GLN 86 3.243 7.570 -7.396 662 HB3 GLN 86 2HB GLN 86 2.458 6.336 -6.420 663 HG2 GLN 86 1HG GLN 86 2.565 4.785 -8.314 664 HG3 GLN 86 2HG GLN 86 3.387 6.022 -9.265 665 HE21 GLN 86 1HE2 GLN 86 3.779 5.040 -5.888 666 HE22 GLN 86 2HE2 GLN 86 5.450 4.625 -6.020 667 H ALA 87 H ALA 87 0.710 5.552 -9.828 668 HA ALA 87 HA ALA 87 1.994 6.855 -11.974 669 HB1 ALA 87 1HB ALA 87 -0.250 5.091 -12.667 670 HB2 ALA 87 2HB ALA 87 1.440 5.036 -13.171 671 HB3 ALA 87 3HB ALA 87 0.964 4.379 -11.605 672 H GLU 88 H GLU 88 -1.041 7.371 -10.469 673 HA GLU 88 HA GLU 88 -2.155 8.763 -12.777 674 HB2 GLU 88 1HB GLU 88 -3.285 8.208 -10.030 675 HB3 GLU 88 2HB GLU 88 -4.141 9.077 -11.297 676 HG2 GLU 88 1HG GLU 88 -3.166 6.237 -11.503 677 HG3 GLU 88 2HG GLU 88 -4.817 6.723 -11.122 678 H GLN 89 H GLN 89 -1.834 9.571 -9.316 679 HA GLN 89 HA GLN 89 -2.185 12.279 -9.470 680 HB2 GLN 89 1HB GLN 89 -0.582 12.374 -7.465 681 HB3 GLN 89 2HB GLN 89 -2.026 11.382 -7.312 682 HG2 GLN 89 1HG GLN 89 -0.848 9.405 -7.416 683 HG3 GLN 89 2HG GLN 89 0.526 10.147 -8.235 684 HE21 GLN 89 1HE2 GLN 89 2.197 9.823 -6.933 685 HE22 GLN 89 2HE2 GLN 89 2.259 10.229 -5.255 686 H GLU 90 H GLU 90 0.653 10.431 -10.336 687 HA GLU 90 HA GLU 90 2.299 12.791 -10.668 688 HB2 GLU 90 1HB GLU 90 3.013 10.351 -9.986 689 HB3 GLU 90 2HB GLU 90 3.069 10.103 -11.725 690 HG2 GLU 90 1HG GLU 90 4.528 12.250 -11.721 691 HG3 GLU 90 2HG GLU 90 4.750 11.874 -10.013 692 H ASP 91 H ASP 91 0.746 10.368 -12.736 693 HA ASP 91 HA ASP 91 1.604 10.904 -15.214 694 HB2 ASP 91 1HB ASP 91 -0.112 9.379 -15.245 695 HB3 ASP 91 2HB ASP 91 -1.116 10.324 -14.149 696 H ARG 92 H ARG 92 -0.859 12.876 -13.560 697 HA ARG 92 HA ARG 92 -1.171 14.784 -15.589 698 HB2 ARG 92 1HB ARG 92 -2.054 16.250 -13.759 699 HB3 ARG 92 2HB ARG 92 -2.795 14.657 -13.834 700 HG2 ARG 92 1HG ARG 92 -1.265 13.930 -12.011 701 HG3 ARG 92 2HG ARG 92 -0.709 15.599 -11.882 702 HD2 ARG 92 1HD ARG 92 -2.380 15.282 -10.219 703 HD3 ARG 92 2HD ARG 92 -3.094 16.266 -11.496 704 HE ARG 92 HE ARG 92 -3.766 13.708 -12.157 705 HH11 ARG 92 1HH1 ARG 92 -4.177 15.703 -9.334 706 HH12 ARG 92 2HH1 ARG 92 -5.652 14.938 -8.848 707 HH21 ARG 92 1HH2 ARG 92 -5.709 12.692 -11.526 708 HH22 ARG 92 2HH2 ARG 92 -6.522 13.224 -10.094 709 H ALA 93 H ALA 93 1.006 14.704 -12.795 710 HA ALA 93 HA ALA 93 2.119 17.255 -13.094 711 HB1 ALA 93 1HB ALA 93 4.006 15.250 -12.138 712 HB2 ALA 93 2HB ALA 93 3.358 16.676 -11.328 713 HB3 ALA 93 3HB ALA 93 2.437 15.171 -11.334 714 H LEU 94 H LEU 94 3.206 14.116 -14.367 715 HA LEU 94 HA LEU 94 5.526 14.987 -15.637 716 HB2 LEU 94 1HB LEU 94 4.483 12.603 -15.285 717 HB3 LEU 94 2HB LEU 94 3.829 12.884 -16.897 718 HG LEU 94 HG LEU 94 6.769 13.044 -16.268 719 HD11 LEU 94 1HD1 LEU 94 6.687 10.762 -17.535 720 HD12 LEU 94 2HD1 LEU 94 5.041 10.699 -16.906 721 HD13 LEU 94 3HD1 LEU 94 6.405 10.826 -15.795 722 HD21 LEU 94 1HD2 LEU 94 6.607 14.051 -18.291 723 HD22 LEU 94 2HD2 LEU 94 5.080 13.262 -18.688 724 HD23 LEU 94 3HD2 LEU 94 6.599 12.378 -18.849 725 H ARG 95 H ARG 95 2.180 15.206 -16.613 726 HA ARG 95 HA ARG 95 1.145 16.235 -18.357 727 HB2 ARG 95 1HB ARG 95 2.644 18.104 -17.456 728 HB3 ARG 95 2HB ARG 95 3.709 17.750 -18.810 729 HG2 ARG 95 1HG ARG 95 1.843 18.210 -20.356 730 HG3 ARG 95 2HG ARG 95 0.840 18.649 -18.972 731 HD2 ARG 95 1HD ARG 95 3.485 19.975 -19.464 732 HD3 ARG 95 2HD ARG 95 2.022 20.526 -20.281 733 HE ARG 95 HE ARG 95 2.752 21.036 -17.589 734 HH11 ARG 95 1HH1 ARG 95 0.004 20.374 -19.621 735 HH12 ARG 95 2HH1 ARG 95 -1.119 21.204 -18.595 736 HH21 ARG 95 1HH2 ARG 95 1.284 22.131 -16.231 737 HH22 ARG 95 2HH2 ARG 95 -0.390 22.203 -16.668 738 H SER 96 H SER 96 2.552 13.783 -18.869 739 HA SER 96 HA SER 96 4.064 13.836 -21.229 740 HB2 SER 96 1HB SER 96 3.673 11.464 -21.361 741 HB3 SER 96 2HB SER 96 3.845 11.886 -19.657 742 HG SER 96 HG SER 96 1.574 11.089 -21.083 743 H PHE 97 H PHE 97 3.555 13.954 -23.334 744 HA PHE 97 HA PHE 97 0.758 14.439 -24.018 745 HB2 PHE 97 1HB PHE 97 1.558 15.460 -26.026 746 HB3 PHE 97 2HB PHE 97 2.584 16.033 -24.715 747 HD1 PHE 97 1HD PHE 97 4.872 15.120 -24.454 748 HD2 PHE 97 2HD PHE 97 2.437 14.198 -27.821 749 HE1 PHE 97 1HE PHE 97 6.865 14.364 -25.684 750 HE2 PHE 97 2HE PHE 97 4.426 13.440 -29.056 751 HZ PHE 97 HZ PHE 97 6.643 13.522 -27.988 752 H LYS 98 H LYS 98 -0.375 13.271 -25.531 753 HA LYS 98 HA LYS 98 0.911 11.058 -26.907 754 HB2 LYS 98 1HB LYS 98 0.162 10.261 -24.604 755 HB3 LYS 98 2HB LYS 98 -1.487 10.508 -25.165 756 HG2 LYS 98 1HG LYS 98 0.346 8.838 -26.810 757 HG3 LYS 98 2HG LYS 98 -0.333 8.160 -25.328 758 HD2 LYS 98 1HD LYS 98 -2.598 8.942 -26.222 759 HD3 LYS 98 2HD LYS 98 -1.777 9.153 -27.769 760 HE2 LYS 98 1HE LYS 98 -0.981 6.726 -27.425 761 HE3 LYS 98 2HE LYS 98 -2.260 6.634 -26.217 762 HZ1 LYS 98 1HZ LYS 98 -3.803 7.416 -28.011 763 HZ2 LYS 98 2HZ LYS 98 -3.169 5.864 -28.236 764 HZ3 LYS 98 3HZ LYS 98 -2.547 7.168 -29.117 765 H SER 99 H SER 99 -0.063 10.552 -28.807 766 HA SER 99 HA SER 99 -1.771 12.342 -30.043 767 HB2 SER 99 1HB SER 99 -2.090 10.610 -31.773 768 HB3 SER 99 2HB SER 99 -0.399 10.740 -31.290 769 HG SER 99 HG SER 99 -2.189 8.845 -30.181 770 H GLY 100 H GLY 100 -3.613 12.864 -28.934 771 HA2 GLY 100 1HA GLY 100 -5.719 10.832 -28.977 772 HA3 GLY 100 2HA GLY 100 -5.359 11.590 -27.433 773 HA PRO 101 HA PRO 101 -8.460 14.081 -30.029 774 HB2 PRO 101 1HB PRO 101 -10.687 13.537 -28.575 775 HB3 PRO 101 2HB PRO 101 -10.183 12.562 -29.961 776 HG2 PRO 101 1HG PRO 101 -9.786 12.048 -27.038 777 HG3 PRO 101 2HG PRO 101 -10.267 10.918 -28.318 778 HD2 PRO 101 1HD PRO 101 -7.735 11.051 -27.367 779 HD3 PRO 101 2HD PRO 101 -8.101 10.634 -29.053 780 H SER 102 H SER 102 -7.409 13.762 -26.799 781 HA SER 102 HA SER 102 -8.817 15.922 -25.618 782 HB2 SER 102 1HB SER 102 -7.844 14.359 -24.124 783 HB3 SER 102 2HB SER 102 -6.263 14.485 -24.896 784 HG SER 102 HG SER 102 -7.414 16.777 -23.763 785 H SER 103 H SER 103 -8.509 18.048 -25.754 786 HA SER 103 HA SER 103 -5.967 19.032 -26.867 787 HB2 SER 103 1HB SER 103 -8.769 19.943 -27.547 788 HB3 SER 103 2HB SER 103 -7.317 20.842 -27.987 789 HG SER 103 HG SER 103 -6.673 19.146 -29.273 790 H GLY 104 H GLY 104 -5.252 21.058 -26.126 791 HA2 GLY 104 1HA GLY 104 -6.602 21.970 -23.659 792 HA3 GLY 104 2HA GLY 104 -4.857 21.965 -23.866 Start of MODEL 8 1 H1 GLY 1 H GLY 1 8.561 -30.297 -20.849 2 HA2 GLY 1 1HA GLY 1 6.370 -31.362 -19.809 3 HA3 GLY 1 2HA GLY 1 7.156 -32.817 -20.403 4 H SER 2 H SER 2 8.464 -33.840 -19.043 5 HA SER 2 HA SER 2 9.436 -34.324 -17.016 6 HB2 SER 2 1HB SER 2 11.226 -33.257 -18.484 7 HB3 SER 2 2HB SER 2 10.977 -31.782 -17.551 8 HG SER 2 HG SER 2 11.751 -34.313 -16.520 9 H SER 3 H SER 3 7.039 -33.008 -16.581 10 HA SER 3 HA SER 3 7.684 -31.323 -14.250 11 HB2 SER 3 1HB SER 3 5.631 -30.987 -16.389 12 HB3 SER 3 2HB SER 3 5.209 -30.485 -14.752 13 HG SER 3 HG SER 3 7.464 -29.424 -14.975 14 H GLY 4 H GLY 4 6.229 -31.477 -12.443 15 HA2 GLY 4 1HA GLY 4 4.445 -33.801 -12.427 16 HA3 GLY 4 2HA GLY 4 5.764 -33.770 -11.267 17 H SER 5 H SER 5 2.635 -33.460 -11.307 18 HA SER 5 HA SER 5 2.453 -31.003 -9.724 19 HB2 SER 5 1HB SER 5 0.327 -32.795 -10.912 20 HB3 SER 5 2HB SER 5 -0.025 -31.404 -9.888 21 HG SER 5 HG SER 5 1.679 -30.919 -12.009 22 H SER 6 H SER 6 1.982 -30.981 -7.588 23 HA SER 6 HA SER 6 1.138 -33.419 -6.246 24 HB2 SER 6 1HB SER 6 3.844 -32.188 -5.943 25 HB3 SER 6 2HB SER 6 3.067 -32.865 -4.511 26 HG SER 6 HG SER 6 3.262 -34.828 -5.312 27 H GLY 7 H GLY 7 1.166 -32.855 -3.711 28 HA2 GLY 7 1HA GLY 7 0.326 -30.085 -3.281 29 HA3 GLY 7 2HA GLY 7 -0.867 -31.344 -2.996 30 H LYS 8 H LYS 8 2.103 -29.890 -1.886 31 HA LYS 8 HA LYS 8 1.619 -31.008 0.764 32 HB2 LYS 8 1HB LYS 8 4.303 -31.219 -0.612 33 HB3 LYS 8 2HB LYS 8 3.953 -31.692 1.045 34 HG2 LYS 8 1HG LYS 8 3.834 -33.722 0.030 35 HG3 LYS 8 2HG LYS 8 2.152 -33.214 -0.133 36 HD2 LYS 8 1HD LYS 8 2.742 -34.004 -2.261 37 HD3 LYS 8 2HD LYS 8 2.844 -32.246 -2.394 38 HE2 LYS 8 1HE LYS 8 4.815 -32.867 -3.391 39 HE3 LYS 8 2HE LYS 8 5.345 -32.652 -1.723 40 HZ1 LYS 8 1HZ LYS 8 5.012 -35.078 -1.421 41 HZ2 LYS 8 2HZ LYS 8 6.227 -34.694 -2.535 42 HZ3 LYS 8 3HZ LYS 8 4.713 -35.214 -3.081 43 H GLU 9 H GLU 9 1.769 -29.455 2.240 44 HA GLU 9 HA GLU 9 3.558 -27.178 1.718 45 HB2 GLU 9 1HB GLU 9 0.652 -27.178 2.342 46 HB3 GLU 9 2HB GLU 9 1.636 -25.937 3.103 47 HG2 GLU 9 1HG GLU 9 2.079 -24.878 1.139 48 HG3 GLU 9 2HG GLU 9 1.950 -26.355 0.185 49 H ALA 10 H ALA 10 4.435 -26.158 3.558 50 HA ALA 10 HA ALA 10 4.073 -27.599 6.099 51 HB1 ALA 10 1HB ALA 10 6.401 -27.598 4.488 52 HB2 ALA 10 2HB ALA 10 6.751 -26.658 5.939 53 HB3 ALA 10 3HB ALA 10 6.171 -28.316 6.082 54 H LEU 11 H LEU 11 2.857 -26.008 7.059 55 HA LEU 11 HA LEU 11 4.317 -23.618 7.847 56 HB2 LEU 11 1HB LEU 11 3.185 -22.799 5.923 57 HB3 LEU 11 2HB LEU 11 1.679 -23.578 6.402 58 HG LEU 11 HG LEU 11 2.855 -21.449 8.139 59 HD11 LEU 11 1HD1 LEU 11 2.208 -19.712 6.838 60 HD12 LEU 11 2HD1 LEU 11 0.912 -20.625 6.065 61 HD13 LEU 11 3HD1 LEU 11 2.583 -20.860 5.553 62 HD21 LEU 11 1HD2 LEU 11 0.398 -22.954 7.937 63 HD22 LEU 11 2HD2 LEU 11 0.091 -21.217 7.912 64 HD23 LEU 11 3HD2 LEU 11 0.990 -21.936 9.249 65 H GLU 12 H GLU 12 4.035 -23.227 9.945 66 HA GLU 12 HA GLU 12 1.552 -24.098 11.241 67 HB2 GLU 12 1HB GLU 12 3.025 -25.892 11.746 68 HB3 GLU 12 2HB GLU 12 4.357 -24.797 12.087 69 HG2 GLU 12 1HG GLU 12 3.421 -24.119 14.131 70 HG3 GLU 12 2HG GLU 12 1.852 -24.818 13.734 71 H ALA 13 H ALA 13 0.675 -22.370 12.149 72 HA ALA 13 HA ALA 13 2.056 -20.760 14.031 73 HB1 ALA 13 1HB ALA 13 1.521 -18.618 12.541 74 HB2 ALA 13 2HB ALA 13 3.075 -19.451 12.482 75 HB3 ALA 13 3HB ALA 13 1.857 -19.769 11.247 76 H LEU 14 H LEU 14 0.656 -19.590 15.296 77 HA LEU 14 HA LEU 14 -2.192 -19.785 14.570 78 HB2 LEU 14 1HB LEU 14 -2.598 -19.663 17.037 79 HB3 LEU 14 2HB LEU 14 -1.793 -21.127 16.477 80 HG LEU 14 HG LEU 14 -0.172 -18.858 17.555 81 HD11 LEU 14 1HD1 LEU 14 -0.830 -19.121 19.662 82 HD12 LEU 14 2HD1 LEU 14 -0.770 -20.878 19.535 83 HD13 LEU 14 3HD1 LEU 14 -2.218 -20.007 19.032 84 HD21 LEU 14 1HD2 LEU 14 1.500 -20.360 17.616 85 HD22 LEU 14 2HD2 LEU 14 0.510 -21.231 16.444 86 HD23 LEU 14 3HD2 LEU 14 0.446 -21.669 18.152 87 H VAL 15 H VAL 15 0.284 -17.738 16.033 88 HA VAL 15 HA VAL 15 -1.564 -15.468 16.062 89 HB VAL 15 HB VAL 15 -0.219 -15.823 18.076 90 HG11 VAL 15 1HG1 VAL 15 2.297 -14.979 16.790 91 HG12 VAL 15 2HG1 VAL 15 2.021 -16.107 18.119 92 HG13 VAL 15 3HG1 VAL 15 1.769 -16.628 16.453 93 HG21 VAL 15 1HG2 VAL 15 0.867 -13.525 18.135 94 HG22 VAL 15 2HG2 VAL 15 0.345 -13.352 16.459 95 HG23 VAL 15 3HG2 VAL 15 -0.849 -13.579 17.737 96 HA PRO 16 HA PRO 16 0.036 -13.889 12.262 97 HB2 PRO 16 1HB PRO 16 -0.850 -11.335 12.512 98 HB3 PRO 16 2HB PRO 16 -1.918 -12.689 12.124 99 HG2 PRO 16 1HG PRO 16 -1.435 -11.351 14.759 100 HG3 PRO 16 2HG PRO 16 -2.967 -11.880 14.037 101 HD2 PRO 16 1HD PRO 16 -1.680 -13.314 15.939 102 HD3 PRO 16 2HD PRO 16 -2.645 -14.076 14.658 103 H VAL 17 H VAL 17 1.230 -11.801 11.534 104 HA VAL 17 HA VAL 17 3.078 -10.832 13.589 105 HB VAL 17 HB VAL 17 4.912 -11.106 11.739 106 HG11 VAL 17 1HG1 VAL 17 5.537 -13.283 12.700 107 HG12 VAL 17 2HG1 VAL 17 5.025 -12.130 13.935 108 HG13 VAL 17 3HG1 VAL 17 3.930 -13.414 13.416 109 HG21 VAL 17 1HG2 VAL 17 3.687 -13.658 11.029 110 HG22 VAL 17 2HG2 VAL 17 2.817 -12.261 10.393 111 HG23 VAL 17 3HG2 VAL 17 4.526 -12.483 10.015 112 H THR 18 H THR 18 4.330 -8.952 12.886 113 HA THR 18 HA THR 18 2.731 -7.272 11.102 114 HB THR 18 HB THR 18 4.962 -6.480 12.987 115 HG1 THR 18 1HG THR 18 3.320 -5.880 14.372 116 HG21 THR 18 1HG2 THR 18 3.437 -5.037 10.951 117 HG22 THR 18 2HG2 THR 18 4.942 -4.600 11.761 118 HG23 THR 18 3HG2 THR 18 3.393 -4.273 12.540 119 H ILE 19 H ILE 19 3.482 -6.415 9.235 120 HA ILE 19 HA ILE 19 6.238 -7.113 8.455 121 HB ILE 19 HB ILE 19 5.463 -7.191 6.124 122 HG12 ILE 19 1HG1 ILE 19 2.626 -7.187 7.099 123 HG13 ILE 19 2HG1 ILE 19 3.430 -5.663 6.735 124 HG21 ILE 19 1HG2 ILE 19 4.572 -9.022 8.230 125 HG22 ILE 19 2HG2 ILE 19 3.701 -9.183 6.706 126 HG23 ILE 19 3HG2 ILE 19 5.457 -9.348 6.739 127 HD11 ILE 19 1HD1 ILE 19 3.215 -7.935 4.781 128 HD12 ILE 19 2HD1 ILE 19 2.056 -6.610 4.883 129 HD13 ILE 19 3HD1 ILE 19 3.737 -6.281 4.465 130 H GLU 20 H GLU 20 6.677 -5.686 6.280 131 HA GLU 20 HA GLU 20 5.972 -2.901 6.882 132 HB2 GLU 20 1HB GLU 20 8.708 -4.095 6.693 133 HB3 GLU 20 2HB GLU 20 8.456 -2.441 6.155 134 HG2 GLU 20 1HG GLU 20 7.561 -1.872 8.366 135 HG3 GLU 20 2HG GLU 20 7.868 -3.522 8.901 136 H VAL 21 H VAL 21 5.274 -1.854 5.143 137 HA VAL 21 HA VAL 21 6.059 -2.868 2.487 138 HB VAL 21 HB VAL 21 3.466 -1.435 2.958 139 HG11 VAL 21 1HG1 VAL 21 3.893 -1.602 0.684 140 HG12 VAL 21 2HG1 VAL 21 4.627 -3.200 0.837 141 HG13 VAL 21 3HG1 VAL 21 2.880 -3.011 0.994 142 HG21 VAL 21 1HG2 VAL 21 2.937 -4.194 2.782 143 HG22 VAL 21 2HG2 VAL 21 4.164 -3.994 4.034 144 HG23 VAL 21 3HG2 VAL 21 2.637 -3.118 4.147 145 H GLU 22 H GLU 22 6.864 -1.440 1.063 146 HA GLU 22 HA GLU 22 7.500 1.204 1.962 147 HB2 GLU 22 1HB GLU 22 7.972 -0.275 -0.619 148 HB3 GLU 22 2HB GLU 22 8.431 1.409 -0.412 149 HG2 GLU 22 1HG GLU 22 10.073 0.910 1.136 150 HG3 GLU 22 2HG GLU 22 9.358 -0.649 1.542 151 H VAL 23 H VAL 23 6.134 2.851 1.903 152 HA VAL 23 HA VAL 23 4.616 3.409 -0.497 153 HB VAL 23 HB VAL 23 3.248 2.820 2.124 154 HG11 VAL 23 1HG1 VAL 23 1.363 3.573 0.162 155 HG12 VAL 23 2HG1 VAL 23 1.735 4.384 1.685 156 HG13 VAL 23 3HG1 VAL 23 2.594 4.835 0.212 157 HG21 VAL 23 1HG2 VAL 23 3.038 1.703 -0.661 158 HG22 VAL 23 2HG2 VAL 23 3.469 0.856 0.825 159 HG23 VAL 23 3HG2 VAL 23 1.815 1.416 0.578 160 HA PRO 24 HA PRO 24 5.827 7.451 0.861 161 HB2 PRO 24 1HB PRO 24 4.515 8.845 -1.064 162 HB3 PRO 24 2HB PRO 24 6.017 7.965 -1.369 163 HG2 PRO 24 1HG PRO 24 3.194 7.146 -1.935 164 HG3 PRO 24 2HG PRO 24 4.636 6.969 -2.952 165 HD2 PRO 24 1HD PRO 24 3.622 4.924 -1.495 166 HD3 PRO 24 2HD PRO 24 5.359 5.095 -1.822 167 H PHE 25 H PHE 25 4.992 8.846 2.298 168 HA PHE 25 HA PHE 25 2.455 8.508 3.409 169 HB2 PHE 25 1HB PHE 25 4.368 9.581 4.567 170 HB3 PHE 25 2HB PHE 25 4.185 10.986 3.524 171 HD1 PHE 25 1HD PHE 25 1.936 12.211 3.590 172 HD2 PHE 25 2HD PHE 25 3.194 9.435 6.561 173 HE1 PHE 25 1HE PHE 25 0.316 13.174 5.170 174 HE2 PHE 25 2HE PHE 25 1.574 10.393 8.146 175 HZ PHE 25 HZ PHE 25 0.132 12.265 7.451 176 H ASP 26 H ASP 26 3.442 10.236 0.618 177 HA ASP 26 HA ASP 26 1.376 12.167 0.508 178 HB2 ASP 26 1HB ASP 26 2.974 10.907 -1.731 179 HB3 ASP 26 2HB ASP 26 1.962 12.340 -1.891 180 H LEU 27 H LEU 27 1.297 8.819 0.209 181 HA LEU 27 HA LEU 27 -1.149 8.879 -1.419 182 HB2 LEU 27 1HB LEU 27 0.760 6.659 -0.728 183 HB3 LEU 27 2HB LEU 27 -0.801 6.377 -1.496 184 HG LEU 27 HG LEU 27 1.426 8.037 -2.675 185 HD11 LEU 27 1HD1 LEU 27 2.257 6.220 -3.681 186 HD12 LEU 27 2HD1 LEU 27 0.660 5.537 -3.986 187 HD13 LEU 27 3HD1 LEU 27 1.423 5.323 -2.411 188 HD21 LEU 27 1HD2 LEU 27 -0.356 7.158 -4.638 189 HD22 LEU 27 2HD2 LEU 27 -0.158 8.802 -4.030 190 HD23 LEU 27 3HD2 LEU 27 -1.365 7.735 -3.312 191 H HIS 28 H HIS 28 0.134 8.075 1.719 192 HA HIS 28 HA HIS 28 -1.706 6.442 2.855 193 HB2 HIS 28 1HB HIS 28 -0.513 8.935 4.085 194 HB3 HIS 28 2HB HIS 28 -1.319 7.659 4.994 195 HD2 HIS 28 2HD HIS 28 0.846 6.061 2.346 196 HE1 HIS 28 1HE HIS 28 3.239 6.281 5.842 197 HE2 HIS 28 2HE HIS 28 3.057 5.374 3.499 198 H ARG 29 H ARG 29 -2.030 9.998 2.875 199 HA ARG 29 HA ARG 29 -4.506 10.273 3.959 200 HB2 ARG 29 1HB ARG 29 -4.726 12.357 2.773 201 HB3 ARG 29 2HB ARG 29 -3.036 12.137 3.210 202 HG2 ARG 29 1HG ARG 29 -2.625 11.294 0.899 203 HG3 ARG 29 2HG ARG 29 -4.284 11.748 0.502 204 HD2 ARG 29 1HD ARG 29 -2.936 13.553 -0.198 205 HD3 ARG 29 2HD ARG 29 -3.698 14.074 1.305 206 HE ARG 29 HE ARG 29 -1.169 12.906 1.818 207 HH11 ARG 29 1HH1 ARG 29 -2.665 15.795 0.578 208 HH12 ARG 29 2HH1 ARG 29 -1.342 16.825 1.015 209 HH21 ARG 29 1HH2 ARG 29 0.580 14.251 2.398 210 HH22 ARG 29 2HH2 ARG 29 0.504 15.945 2.049 211 H TYR 30 H TYR 30 -3.733 9.119 0.751 212 HA TYR 30 HA TYR 30 -6.499 9.152 -0.110 213 HB2 TYR 30 1HB TYR 30 -4.050 7.993 -1.456 214 HB3 TYR 30 2HB TYR 30 -5.637 8.179 -2.194 215 HD1 TYR 30 2HD TYR 30 -6.396 10.881 -1.294 216 HD2 TYR 30 1HD TYR 30 -2.655 9.401 -2.680 217 HE1 TYR 30 2HE TYR 30 -5.786 13.142 -2.044 218 HE2 TYR 30 1HE TYR 30 -2.033 11.658 -3.433 219 HH TYR 30 HH TYR 30 -4.188 14.429 -2.900 220 H VAL 31 H VAL 31 -4.103 6.819 0.982 221 HA VAL 31 HA VAL 31 -5.611 4.488 0.410 222 HB VAL 31 HB VAL 31 -3.442 4.889 2.477 223 HG11 VAL 31 1HG1 VAL 31 -4.737 2.907 2.966 224 HG12 VAL 31 2HG1 VAL 31 -4.600 2.368 1.291 225 HG13 VAL 31 3HG1 VAL 31 -3.166 2.440 2.316 226 HG21 VAL 31 1HG2 VAL 31 -3.210 3.731 -0.296 227 HG22 VAL 31 2HG2 VAL 31 -2.825 5.404 0.104 228 HG23 VAL 31 3HG2 VAL 31 -1.904 4.090 0.834 229 H ILE 32 H ILE 32 -4.911 5.990 3.574 230 HA ILE 32 HA ILE 32 -6.644 4.514 5.120 231 HB ILE 32 HB ILE 32 -6.015 7.448 5.464 232 HG12 ILE 32 1HG1 ILE 32 -4.651 5.106 6.788 233 HG13 ILE 32 2HG1 ILE 32 -4.067 5.805 5.281 234 HG21 ILE 32 1HG2 ILE 32 -6.676 5.549 7.677 235 HG22 ILE 32 2HG2 ILE 32 -6.771 7.309 7.649 236 HG23 ILE 32 3HG2 ILE 32 -7.960 6.346 6.770 237 HD11 ILE 32 1HD1 ILE 32 -3.579 6.647 7.945 238 HD12 ILE 32 2HD1 ILE 32 -2.943 7.309 6.438 239 HD13 ILE 32 3HD1 ILE 32 -4.455 7.926 7.105 240 H GLY 33 H GLY 33 -7.361 7.737 3.749 241 HA2 GLY 33 1HA GLY 33 -9.343 8.555 2.884 242 HA3 GLY 33 2HA GLY 33 -10.033 6.948 3.048 243 H GLN 34 H GLN 34 -11.773 8.763 3.617 244 HA GLN 34 HA GLN 34 -11.690 9.793 6.271 245 HB2 GLN 34 1HB GLN 34 -13.717 9.642 4.097 246 HB3 GLN 34 2HB GLN 34 -14.295 9.927 5.732 247 HG2 GLN 34 1HG GLN 34 -12.466 11.626 4.076 248 HG3 GLN 34 2HG GLN 34 -14.023 12.049 4.786 249 HE21 GLN 34 1HE2 GLN 34 -11.276 13.218 5.007 250 HE22 GLN 34 2HE2 GLN 34 -10.985 13.332 6.706 251 H LYS 35 H LYS 35 -12.965 9.164 8.068 252 HA LYS 35 HA LYS 35 -13.496 7.556 9.616 253 HB2 LYS 35 1HB LYS 35 -15.317 6.619 7.396 254 HB3 LYS 35 2HB LYS 35 -15.561 6.405 9.125 255 HG2 LYS 35 1HG LYS 35 -16.161 8.606 9.450 256 HG3 LYS 35 2HG LYS 35 -15.332 9.158 7.993 257 HD2 LYS 35 1HD LYS 35 -17.684 7.307 7.815 258 HD3 LYS 35 2HD LYS 35 -17.915 9.048 7.995 259 HE2 LYS 35 1HE LYS 35 -17.940 8.789 5.699 260 HE3 LYS 35 2HE LYS 35 -16.257 9.211 6.004 261 HZ1 LYS 35 1HZ LYS 35 -17.030 7.101 4.565 262 HZ2 LYS 35 2HZ LYS 35 -16.852 6.379 6.084 263 HZ3 LYS 35 3HZ LYS 35 -15.548 7.193 5.376 264 H GLY 36 H GLY 36 -11.250 6.852 7.905 265 HA2 GLY 36 1HA GLY 36 -10.044 5.013 7.174 266 HA3 GLY 36 2HA GLY 36 -10.553 4.387 8.734 267 H SER 37 H SER 37 -12.121 4.924 5.574 268 HA SER 37 HA SER 37 -13.408 2.309 5.845 269 HB2 SER 37 1HB SER 37 -14.646 4.513 5.240 270 HB3 SER 37 2HB SER 37 -13.969 4.264 3.631 271 HG SER 37 HG SER 37 -15.677 3.051 3.392 272 H GLY 38 H GLY 38 -11.614 4.200 3.414 273 HA2 GLY 38 1HA GLY 38 -11.362 2.476 1.354 274 HA3 GLY 38 2HA GLY 38 -10.021 3.472 1.900 275 H ILE 39 H ILE 39 -8.960 2.490 3.992 276 HA ILE 39 HA ILE 39 -7.721 0.096 3.225 277 HB ILE 39 HB ILE 39 -7.834 1.476 5.904 278 HG12 ILE 39 1HG1 ILE 39 -5.584 1.248 3.896 279 HG13 ILE 39 2HG1 ILE 39 -6.685 2.618 3.986 280 HG21 ILE 39 1HG2 ILE 39 -7.161 -0.487 6.752 281 HG22 ILE 39 2HG2 ILE 39 -6.760 -1.146 5.167 282 HG23 ILE 39 3HG2 ILE 39 -5.614 -0.097 6.002 283 HD11 ILE 39 1HD1 ILE 39 -4.558 1.775 5.900 284 HD12 ILE 39 2HD1 ILE 39 -4.851 3.354 5.169 285 HD13 ILE 39 3HD1 ILE 39 -5.912 2.763 6.446 286 H ARG 40 H ARG 40 -10.359 0.730 5.491 287 HA ARG 40 HA ARG 40 -10.668 -1.614 6.805 288 HB2 ARG 40 1HB ARG 40 -12.179 0.477 6.785 289 HB3 ARG 40 2HB ARG 40 -13.050 -0.333 5.490 290 HG2 ARG 40 1HG ARG 40 -13.687 -2.116 6.909 291 HG3 ARG 40 2HG ARG 40 -12.572 -1.597 8.173 292 HD2 ARG 40 1HD ARG 40 -13.882 0.291 8.694 293 HD3 ARG 40 2HD ARG 40 -14.826 0.141 7.213 294 HE ARG 40 HE ARG 40 -15.145 -2.169 8.806 295 HH11 ARG 40 1HH1 ARG 40 -16.057 1.187 8.659 296 HH12 ARG 40 2HH1 ARG 40 -17.535 0.959 9.534 297 HH21 ARG 40 1HH2 ARG 40 -17.088 -2.483 9.958 298 HH22 ARG 40 2HH2 ARG 40 -18.120 -1.129 10.273 299 H LYS 41 H LYS 41 -11.921 -0.971 3.534 300 HA LYS 41 HA LYS 41 -13.164 -3.307 2.935 301 HB2 LYS 41 1HB LYS 41 -13.185 -1.680 1.253 302 HB3 LYS 41 2HB LYS 41 -11.434 -1.513 1.261 303 HG2 LYS 41 1HG LYS 41 -12.580 -4.132 0.461 304 HG3 LYS 41 2HG LYS 41 -12.705 -2.782 -0.669 305 HD2 LYS 41 1HD LYS 41 -10.243 -2.448 -0.429 306 HD3 LYS 41 2HD LYS 41 -10.188 -3.922 0.540 307 HE2 LYS 41 1HE LYS 41 -11.403 -4.979 -1.510 308 HE3 LYS 41 2HE LYS 41 -10.760 -3.583 -2.375 309 HZ1 LYS 41 1HZ LYS 41 -9.382 -5.906 -1.326 310 HZ2 LYS 41 2HZ LYS 41 -8.592 -4.432 -1.070 311 HZ3 LYS 41 3HZ LYS 41 -8.992 -4.917 -2.641 312 H MET 42 H MET 42 -9.666 -2.734 2.834 313 HA MET 42 HA MET 42 -9.021 -5.357 1.930 314 HB2 MET 42 1HB MET 42 -7.276 -3.332 3.344 315 HB3 MET 42 2HB MET 42 -6.708 -4.754 2.479 316 HG2 MET 42 1HG MET 42 -7.249 -3.865 0.403 317 HG3 MET 42 2HG MET 42 -8.353 -2.678 1.095 318 HE1 MET 42 1HE MET 42 -4.910 -4.026 1.445 319 HE2 MET 42 2HE MET 42 -4.297 -3.051 0.109 320 HE3 MET 42 3HE MET 42 -3.866 -2.642 1.771 321 H MET 43 H MET 43 -8.619 -3.774 5.104 322 HA MET 43 HA MET 43 -7.682 -5.862 6.587 323 HB2 MET 43 1HB MET 43 -9.607 -3.665 7.306 324 HB3 MET 43 2HB MET 43 -9.063 -4.835 8.501 325 HG2 MET 43 1HG MET 43 -6.691 -4.151 7.729 326 HG3 MET 43 2HG MET 43 -7.502 -2.733 7.070 327 HE1 MET 43 1HE MET 43 -9.708 -1.823 9.157 328 HE2 MET 43 2HE MET 43 -8.652 -0.728 10.048 329 HE3 MET 43 3HE MET 43 -8.483 -0.887 8.299 330 H ASP 44 H ASP 44 -10.915 -5.415 5.355 331 HA ASP 44 HA ASP 44 -12.000 -7.601 6.922 332 HB2 ASP 44 1HB ASP 44 -13.093 -5.588 5.017 333 HB3 ASP 44 2HB ASP 44 -13.976 -7.101 5.202 334 H GLU 45 H GLU 45 -11.107 -6.950 3.562 335 HA GLU 45 HA GLU 45 -11.980 -9.449 2.542 336 HB2 GLU 45 1HB GLU 45 -11.635 -7.488 1.107 337 HB3 GLU 45 2HB GLU 45 -9.912 -7.534 1.450 338 HG2 GLU 45 1HG GLU 45 -9.972 -8.578 -0.578 339 HG3 GLU 45 2HG GLU 45 -10.088 -9.963 0.506 340 H PHE 46 H PHE 46 -8.660 -8.239 3.053 341 HA PHE 46 HA PHE 46 -7.548 -10.873 2.862 342 HB2 PHE 46 1HB PHE 46 -6.302 -8.269 3.769 343 HB3 PHE 46 2HB PHE 46 -5.417 -9.758 3.456 344 HD1 PHE 46 1HD PHE 46 -5.675 -10.766 1.082 345 HD2 PHE 46 2HD PHE 46 -6.585 -6.728 2.075 346 HE1 PHE 46 1HE PHE 46 -5.448 -10.136 -1.286 347 HE2 PHE 46 2HE PHE 46 -6.360 -6.092 -0.291 348 HZ PHE 46 HZ PHE 46 -5.792 -7.797 -1.975 349 H GLU 47 H GLU 47 -9.215 -9.344 5.273 350 HA GLU 47 HA GLU 47 -9.480 -9.670 7.511 351 HB2 GLU 47 1HB GLU 47 -8.293 -12.332 6.724 352 HB3 GLU 47 2HB GLU 47 -8.940 -11.996 8.324 353 HG2 GLU 47 1HG GLU 47 -11.119 -11.446 7.247 354 HG3 GLU 47 2HG GLU 47 -10.439 -12.000 5.718 355 H VAL 48 H VAL 48 -7.359 -8.099 7.049 356 HA VAL 48 HA VAL 48 -5.440 -8.971 9.099 357 HB VAL 48 HB VAL 48 -3.666 -7.711 7.795 358 HG11 VAL 48 1HG1 VAL 48 -4.603 -10.365 7.587 359 HG12 VAL 48 2HG1 VAL 48 -4.122 -9.854 5.967 360 HG13 VAL 48 3HG1 VAL 48 -2.971 -9.760 7.301 361 HG21 VAL 48 1HG2 VAL 48 -4.934 -6.454 6.251 362 HG22 VAL 48 2HG2 VAL 48 -4.108 -7.686 5.298 363 HG23 VAL 48 3HG2 VAL 48 -5.815 -7.878 5.697 364 H ASN 49 H ASN 49 -3.995 -6.952 9.680 365 HA ASN 49 HA ASN 49 -5.785 -4.629 9.973 366 HB2 ASN 49 1HB ASN 49 -3.883 -5.824 11.997 367 HB3 ASN 49 2HB ASN 49 -4.642 -4.246 12.186 368 HD21 ASN 49 1HD2 ASN 49 -4.855 -6.755 13.743 369 HD22 ASN 49 2HD2 ASN 49 -6.546 -7.101 13.815 370 H ILE 50 H ILE 50 -5.019 -2.994 8.818 371 HA ILE 50 HA ILE 50 -2.144 -2.764 8.349 372 HB ILE 50 HB ILE 50 -4.500 -1.355 7.102 373 HG12 ILE 50 1HG1 ILE 50 -2.441 -3.265 5.973 374 HG13 ILE 50 2HG1 ILE 50 -4.107 -3.672 6.368 375 HG21 ILE 50 1HG2 ILE 50 -2.819 0.292 7.160 376 HG22 ILE 50 2HG2 ILE 50 -1.553 -0.871 6.772 377 HG23 ILE 50 3HG2 ILE 50 -2.732 -0.409 5.544 378 HD11 ILE 50 1HD1 ILE 50 -4.623 -3.172 4.277 379 HD12 ILE 50 2HD1 ILE 50 -4.287 -1.483 4.662 380 HD13 ILE 50 3HD1 ILE 50 -3.019 -2.502 3.980 381 H HIS 51 H HIS 51 -0.898 -1.151 9.130 382 HA HIS 51 HA HIS 51 -2.222 0.958 10.705 383 HB2 HIS 51 1HB HIS 51 0.037 -0.852 11.433 384 HB3 HIS 51 2HB HIS 51 0.066 0.801 12.040 385 HD1 HIS 51 1HD HIS 51 -1.056 1.097 14.218 386 HD2 HIS 51 2HD HIS 51 -2.583 -2.155 12.130 387 HE1 HIS 51 1HE HIS 51 -2.748 0.045 15.753 388 H VAL 52 H VAL 52 -1.698 2.967 10.146 389 HA VAL 52 HA VAL 52 0.651 3.357 8.413 390 HB VAL 52 HB VAL 52 -1.865 5.017 8.624 391 HG11 VAL 52 1HG1 VAL 52 -0.986 6.518 7.086 392 HG12 VAL 52 2HG1 VAL 52 0.391 6.188 8.139 393 HG13 VAL 52 3HG1 VAL 52 0.275 5.400 6.566 394 HG21 VAL 52 1HG2 VAL 52 -2.307 2.988 7.442 395 HG22 VAL 52 2HG2 VAL 52 -2.167 4.284 6.253 396 HG23 VAL 52 3HG2 VAL 52 -0.831 3.158 6.490 397 HA PRO 53 HA PRO 53 2.511 5.761 11.610 398 HB2 PRO 53 1HB PRO 53 4.321 7.097 10.090 399 HB3 PRO 53 2HB PRO 53 4.496 5.390 10.514 400 HG2 PRO 53 1HG PRO 53 3.478 6.616 7.980 401 HG3 PRO 53 2HG PRO 53 4.577 5.240 8.196 402 HD2 PRO 53 1HD PRO 53 1.946 4.931 7.637 403 HD3 PRO 53 2HD PRO 53 2.855 3.771 8.627 404 H ALA 54 H ALA 54 2.123 7.691 12.544 405 HA ALA 54 HA ALA 54 0.261 9.488 11.474 406 HB1 ALA 54 1HB ALA 54 1.903 9.311 13.883 407 HB2 ALA 54 2HB ALA 54 1.547 10.964 13.382 408 HB3 ALA 54 3HB ALA 54 0.229 9.832 13.684 409 HA PRO 55 HA PRO 55 2.508 12.366 9.042 410 HB2 PRO 55 1HB PRO 55 1.515 14.765 9.837 411 HB3 PRO 55 2HB PRO 55 0.585 13.611 8.874 412 HG2 PRO 55 1HG PRO 55 0.500 14.121 11.822 413 HG3 PRO 55 2HG PRO 55 -0.842 13.867 10.693 414 HD2 PRO 55 1HD PRO 55 0.086 11.909 12.317 415 HD3 PRO 55 2HD PRO 55 -0.586 11.576 10.708 416 H GLU 56 H GLU 56 2.550 12.880 12.510 417 HA GLU 56 HA GLU 56 4.658 14.806 12.499 418 HB2 GLU 56 1HB GLU 56 4.750 14.388 14.931 419 HB3 GLU 56 2HB GLU 56 3.113 14.698 14.368 420 HG2 GLU 56 1HG GLU 56 2.461 12.489 14.647 421 HG3 GLU 56 2HG GLU 56 4.122 11.899 14.660 422 H LEU 57 H LEU 57 4.589 11.503 11.924 423 HA LEU 57 HA LEU 57 7.295 11.037 12.926 424 HB2 LEU 57 1HB LEU 57 5.341 9.151 11.615 425 HB3 LEU 57 2HB LEU 57 6.904 8.702 12.293 426 HG LEU 57 HG LEU 57 4.655 9.867 13.927 427 HD11 LEU 57 1HD1 LEU 57 4.186 7.623 12.778 428 HD12 LEU 57 2HD1 LEU 57 3.962 7.724 14.524 429 HD13 LEU 57 3HD1 LEU 57 5.410 6.967 13.864 430 HD21 LEU 57 1HD2 LEU 57 7.398 9.372 14.444 431 HD22 LEU 57 2HD2 LEU 57 6.455 8.199 15.364 432 HD23 LEU 57 3HD2 LEU 57 6.151 9.925 15.563 433 H GLN 58 H GLN 58 5.564 11.638 9.994 434 HA GLN 58 HA GLN 58 6.187 11.775 7.807 435 HB2 GLN 58 1HB GLN 58 8.943 12.337 8.900 436 HB3 GLN 58 2HB GLN 58 8.264 12.883 7.373 437 HG2 GLN 58 1HG GLN 58 6.569 14.167 8.728 438 HG3 GLN 58 2HG GLN 58 7.547 13.789 10.145 439 HE21 GLN 58 1HE2 GLN 58 7.416 16.270 10.016 440 HE22 GLN 58 2HE2 GLN 58 8.741 17.042 9.221 441 H SER 59 H SER 59 6.026 9.197 8.519 442 HA SER 59 HA SER 59 8.474 7.910 7.526 443 HB2 SER 59 1HB SER 59 7.219 7.267 9.761 444 HB3 SER 59 2HB SER 59 6.190 6.347 8.663 445 HG SER 59 HG SER 59 8.467 5.662 7.851 446 H ASP 60 H ASP 60 8.387 6.390 5.854 447 HA ASP 60 HA ASP 60 5.959 6.543 4.192 448 HB2 ASP 60 1HB ASP 60 8.804 6.110 3.259 449 HB3 ASP 60 2HB ASP 60 7.382 6.287 2.235 450 H ILE 61 H ILE 61 6.899 4.585 6.334 451 HA ILE 61 HA ILE 61 6.689 2.148 4.689 452 HB ILE 61 HB ILE 61 7.872 2.179 7.450 453 HG12 ILE 61 1HG1 ILE 61 9.104 3.767 5.929 454 HG13 ILE 61 2HG1 ILE 61 10.073 2.432 6.544 455 HG21 ILE 61 1HG2 ILE 61 7.615 0.252 5.220 456 HG22 ILE 61 2HG2 ILE 61 9.107 0.202 6.156 457 HG23 ILE 61 3HG2 ILE 61 7.554 -0.014 6.962 458 HD11 ILE 61 1HD1 ILE 61 10.703 2.392 4.367 459 HD12 ILE 61 2HD1 ILE 61 9.309 1.316 4.275 460 HD13 ILE 61 3HD1 ILE 61 9.154 3.004 3.789 461 H ILE 62 H ILE 62 4.819 1.128 4.900 462 HA ILE 62 HA ILE 62 3.147 1.659 7.240 463 HB ILE 62 HB ILE 62 2.552 0.414 4.563 464 HG12 ILE 62 1HG1 ILE 62 1.415 2.849 5.954 465 HG13 ILE 62 2HG1 ILE 62 2.671 2.891 4.721 466 HG21 ILE 62 1HG2 ILE 62 1.079 -0.863 5.696 467 HG22 ILE 62 2HG2 ILE 62 1.099 0.187 7.113 468 HG23 ILE 62 3HG2 ILE 62 0.121 0.618 5.710 469 HD11 ILE 62 1HD1 ILE 62 1.071 3.062 3.207 470 HD12 ILE 62 2HD1 ILE 62 0.574 1.419 3.610 471 HD13 ILE 62 3HD1 ILE 62 -0.176 2.792 4.424 472 H ALA 63 H ALA 63 2.386 0.071 8.601 473 HA ALA 63 HA ALA 63 3.768 -2.521 8.412 474 HB1 ALA 63 1HB ALA 63 2.912 -2.489 10.953 475 HB2 ALA 63 2HB ALA 63 4.463 -1.819 10.445 476 HB3 ALA 63 3HB ALA 63 3.075 -0.755 10.674 477 H ILE 64 H ILE 64 2.617 -4.330 8.163 478 HA ILE 64 HA ILE 64 -0.301 -4.179 8.555 479 HB ILE 64 HB ILE 64 1.101 -5.931 6.539 480 HG12 ILE 64 1HG1 ILE 64 -0.365 -3.327 6.066 481 HG13 ILE 64 2HG1 ILE 64 1.383 -3.524 6.006 482 HG21 ILE 64 1HG2 ILE 64 -1.665 -5.292 6.029 483 HG22 ILE 64 2HG2 ILE 64 -0.882 -6.866 6.174 484 HG23 ILE 64 3HG2 ILE 64 -1.465 -6.034 7.617 485 HD11 ILE 64 1HD1 ILE 64 1.294 -4.768 4.047 486 HD12 ILE 64 2HD1 ILE 64 -0.416 -5.148 4.254 487 HD13 ILE 64 3HD1 ILE 64 0.076 -3.514 3.807 488 H THR 65 H THR 65 -1.035 -5.465 10.098 489 HA THR 65 HA THR 65 0.636 -7.672 11.043 490 HB THR 65 HB THR 65 -1.857 -6.487 12.280 491 HG1 THR 65 1HG THR 65 -0.304 -5.575 13.751 492 HG21 THR 65 1HG2 THR 65 -0.889 -8.966 12.742 493 HG22 THR 65 2HG2 THR 65 -1.694 -7.986 13.968 494 HG23 THR 65 3HG2 THR 65 0.067 -8.036 13.895 495 H GLY 66 H GLY 66 0.012 -9.789 11.023 496 HA2 GLY 66 1HA GLY 66 -2.384 -10.990 10.867 497 HA3 GLY 66 2HA GLY 66 -2.145 -10.469 9.206 498 H LEU 67 H LEU 67 -2.440 -13.073 9.498 499 HA LEU 67 HA LEU 67 -0.102 -14.546 10.091 500 HB2 LEU 67 1HB LEU 67 -2.517 -15.206 8.420 501 HB3 LEU 67 2HB LEU 67 -1.238 -16.362 8.783 502 HG LEU 67 HG LEU 67 -2.958 -15.012 10.861 503 HD11 LEU 67 1HD1 LEU 67 -3.501 -17.738 10.814 504 HD12 LEU 67 2HD1 LEU 67 -3.496 -17.250 9.119 505 HD13 LEU 67 3HD1 LEU 67 -4.557 -16.435 10.268 506 HD21 LEU 67 1HD2 LEU 67 -1.715 -16.024 12.419 507 HD22 LEU 67 2HD2 LEU 67 -0.503 -16.195 11.150 508 HD23 LEU 67 3HD2 LEU 67 -1.612 -17.523 11.496 509 H ALA 68 H ALA 68 1.574 -15.218 8.846 510 HA ALA 68 HA ALA 68 2.661 -13.800 6.856 511 HB1 ALA 68 1HB ALA 68 3.870 -15.624 7.799 512 HB2 ALA 68 2HB ALA 68 2.723 -16.797 7.150 513 HB3 ALA 68 3HB ALA 68 3.775 -15.896 6.059 514 H ALA 69 H ALA 69 0.075 -16.143 6.460 515 HA ALA 69 HA ALA 69 0.113 -16.165 3.612 516 HB1 ALA 69 1HB ALA 69 -2.469 -16.841 4.429 517 HB2 ALA 69 2HB ALA 69 -1.144 -17.942 4.054 518 HB3 ALA 69 3HB ALA 69 -1.407 -17.413 5.715 519 H ASN 70 H ASN 70 -1.906 -14.485 6.010 520 HA ASN 70 HA ASN 70 -3.503 -13.114 4.124 521 HB2 ASN 70 1HB ASN 70 -2.888 -12.143 6.914 522 HB3 ASN 70 2HB ASN 70 -4.343 -11.860 5.965 523 HD21 ASN 70 1HD2 ASN 70 -4.830 -12.714 8.366 524 HD22 ASN 70 2HD2 ASN 70 -5.251 -14.390 8.405 525 H LEU 71 H LEU 71 -0.479 -12.316 5.745 526 HA LEU 71 HA LEU 71 -0.315 -9.616 5.013 527 HB2 LEU 71 1HB LEU 71 2.003 -11.516 5.308 528 HB3 LEU 71 2HB LEU 71 2.021 -9.765 5.514 529 HG LEU 71 HG LEU 71 0.401 -11.547 7.309 530 HD11 LEU 71 1HD1 LEU 71 3.126 -11.772 7.080 531 HD12 LEU 71 2HD1 LEU 71 2.171 -12.191 8.501 532 HD13 LEU 71 3HD1 LEU 71 2.936 -10.606 8.389 533 HD21 LEU 71 1HD2 LEU 71 1.045 -8.705 7.122 534 HD22 LEU 71 2HD2 LEU 71 1.321 -9.388 8.725 535 HD23 LEU 71 3HD2 LEU 71 -0.269 -9.519 7.973 536 H ASP 72 H ASP 72 0.517 -12.555 3.281 537 HA ASP 72 HA ASP 72 1.929 -11.313 1.160 538 HB2 ASP 72 1HB ASP 72 0.682 -13.993 1.601 539 HB3 ASP 72 2HB ASP 72 1.148 -13.537 -0.036 540 H ARG 73 H ARG 73 -1.388 -12.622 1.291 541 HA ARG 73 HA ARG 73 -2.203 -11.743 -1.224 542 HB2 ARG 73 1HB ARG 73 -4.537 -11.845 -0.215 543 HB3 ARG 73 2HB ARG 73 -3.580 -13.319 -0.133 544 HG2 ARG 73 1HG ARG 73 -3.064 -12.912 2.183 545 HG3 ARG 73 2HG ARG 73 -3.880 -11.349 2.123 546 HD2 ARG 73 1HD ARG 73 -5.484 -12.714 3.083 547 HD3 ARG 73 2HD ARG 73 -5.940 -12.730 1.380 548 HE ARG 73 HE ARG 73 -4.894 -14.938 2.929 549 HH11 ARG 73 1HH1 ARG 73 -5.548 -13.649 -0.237 550 HH12 ARG 73 2HH1 ARG 73 -5.562 -15.201 -1.008 551 HH21 ARG 73 1HH2 ARG 73 -4.909 -16.987 1.925 552 HH22 ARG 73 2HH2 ARG 73 -5.199 -17.098 0.223 553 H ALA 74 H ALA 74 -2.355 -10.121 1.918 554 HA ALA 74 HA ALA 74 -3.735 -7.821 0.975 555 HB1 ALA 74 1HB ALA 74 -2.004 -8.116 3.427 556 HB2 ALA 74 2HB ALA 74 -3.173 -6.831 3.119 557 HB3 ALA 74 3HB ALA 74 -3.725 -8.491 3.336 558 H LYS 75 H LYS 75 -0.326 -8.270 1.938 559 HA LYS 75 HA LYS 75 0.657 -5.804 1.216 560 HB2 LYS 75 1HB LYS 75 1.965 -7.528 2.392 561 HB3 LYS 75 2HB LYS 75 2.055 -8.468 0.909 562 HG2 LYS 75 1HG LYS 75 3.282 -6.614 -0.157 563 HG3 LYS 75 2HG LYS 75 3.251 -5.744 1.379 564 HD2 LYS 75 1HD LYS 75 4.527 -7.513 2.440 565 HD3 LYS 75 2HD LYS 75 4.490 -8.464 0.954 566 HE2 LYS 75 1HE LYS 75 6.543 -7.503 0.727 567 HE3 LYS 75 2HE LYS 75 5.562 -6.261 -0.049 568 HZ1 LYS 75 1HZ LYS 75 6.304 -4.818 1.435 569 HZ2 LYS 75 2HZ LYS 75 7.209 -6.020 2.208 570 HZ3 LYS 75 3HZ LYS 75 5.616 -5.722 2.689 571 H ALA 76 H ALA 76 -0.044 -8.569 -0.837 572 HA ALA 76 HA ALA 76 1.224 -7.663 -3.180 573 HB1 ALA 76 1HB ALA 76 -0.189 -9.267 -4.355 574 HB2 ALA 76 2HB ALA 76 0.481 -9.971 -2.883 575 HB3 ALA 76 3HB ALA 76 -1.201 -9.438 -2.921 576 H GLY 77 H GLY 77 -2.001 -7.086 -1.864 577 HA2 GLY 77 1HA GLY 77 -3.015 -5.749 -4.166 578 HA3 GLY 77 2HA GLY 77 -3.704 -5.698 -2.549 579 H LEU 78 H LEU 78 -1.528 -4.610 -1.158 580 HA LEU 78 HA LEU 78 -1.931 -1.862 -1.606 581 HB2 LEU 78 1HB LEU 78 -1.218 -3.056 0.533 582 HB3 LEU 78 2HB LEU 78 0.414 -3.024 -0.130 583 HG LEU 78 HG LEU 78 0.214 -0.520 -0.234 584 HD11 LEU 78 1HD1 LEU 78 -2.367 -1.178 1.127 585 HD12 LEU 78 2HD1 LEU 78 -2.049 -0.033 -0.176 586 HD13 LEU 78 3HD1 LEU 78 -1.532 0.338 1.469 587 HD21 LEU 78 1HD2 LEU 78 0.033 -0.599 2.517 588 HD22 LEU 78 2HD2 LEU 78 1.494 -0.852 1.561 589 HD23 LEU 78 3HD2 LEU 78 0.534 -2.235 2.090 590 H LEU 79 H LEU 79 1.104 -3.711 -1.950 591 HA LEU 79 HA LEU 79 2.743 -1.898 -3.073 592 HB2 LEU 79 1HB LEU 79 2.358 -4.778 -3.843 593 HB3 LEU 79 2HB LEU 79 3.669 -3.789 -4.483 594 HG LEU 79 HG LEU 79 3.254 -4.339 -1.548 595 HD11 LEU 79 1HD1 LEU 79 4.553 -5.920 -3.668 596 HD12 LEU 79 2HD1 LEU 79 3.871 -6.428 -2.123 597 HD13 LEU 79 3HD1 LEU 79 5.478 -5.706 -2.182 598 HD21 LEU 79 1HD2 LEU 79 4.806 -2.781 -1.264 599 HD22 LEU 79 2HD2 LEU 79 4.918 -2.535 -3.007 600 HD23 LEU 79 3HD2 LEU 79 5.928 -3.749 -2.220 601 H GLU 80 H GLU 80 0.299 -3.757 -4.862 602 HA GLU 80 HA GLU 80 0.855 -2.542 -7.369 603 HB2 GLU 80 1HB GLU 80 -1.514 -4.093 -6.332 604 HB3 GLU 80 2HB GLU 80 -1.429 -3.482 -7.978 605 HG2 GLU 80 1HG GLU 80 0.446 -4.848 -8.477 606 HG3 GLU 80 2HG GLU 80 0.644 -5.300 -6.785 607 H ARG 81 H ARG 81 -1.433 -1.862 -4.775 608 HA ARG 81 HA ARG 81 -3.005 0.043 -6.089 609 HB2 ARG 81 1HB ARG 81 -3.188 -1.091 -3.701 610 HB3 ARG 81 2HB ARG 81 -2.379 0.385 -3.191 611 HG2 ARG 81 1HG ARG 81 -4.628 0.876 -2.926 612 HG3 ARG 81 2HG ARG 81 -4.232 1.606 -4.484 613 HD2 ARG 81 1HD ARG 81 -5.199 -0.258 -5.659 614 HD3 ARG 81 2HD ARG 81 -5.452 -1.130 -4.148 615 HE ARG 81 HE ARG 81 -7.170 0.812 -5.286 616 HH11 ARG 81 1HH1 ARG 81 -5.941 -0.316 -2.231 617 HH12 ARG 81 2HH1 ARG 81 -7.328 0.206 -1.332 618 HH21 ARG 81 1HH2 ARG 81 -9.001 1.503 -4.115 619 HH22 ARG 81 2HH2 ARG 81 -9.068 1.240 -2.406 620 H VAL 82 H VAL 82 0.120 0.299 -4.525 621 HA VAL 82 HA VAL 82 0.213 3.152 -4.509 622 HB VAL 82 HB VAL 82 2.510 1.193 -4.385 623 HG11 VAL 82 1HG1 VAL 82 2.583 3.930 -4.727 624 HG12 VAL 82 2HG1 VAL 82 2.798 3.725 -2.988 625 HG13 VAL 82 3HG1 VAL 82 3.893 2.922 -4.114 626 HG21 VAL 82 1HG2 VAL 82 2.097 0.838 -2.207 627 HG22 VAL 82 2HG2 VAL 82 1.619 2.511 -1.923 628 HG23 VAL 82 3HG2 VAL 82 0.460 1.366 -2.599 629 H LYS 83 H LYS 83 1.572 0.650 -6.629 630 HA LYS 83 HA LYS 83 2.975 2.342 -8.360 631 HB2 LYS 83 1HB LYS 83 1.652 -0.313 -8.951 632 HB3 LYS 83 2HB LYS 83 2.840 0.475 -9.982 633 HG2 LYS 83 1HG LYS 83 4.505 0.299 -8.205 634 HG3 LYS 83 2HG LYS 83 3.314 -0.486 -7.167 635 HD2 LYS 83 1HD LYS 83 3.087 -2.233 -8.996 636 HD3 LYS 83 2HD LYS 83 4.532 -1.519 -9.718 637 HE2 LYS 83 1HE LYS 83 5.424 -3.220 -8.434 638 HE3 LYS 83 2HE LYS 83 5.553 -1.835 -7.351 639 HZ1 LYS 83 1HZ LYS 83 3.490 -2.547 -6.283 640 HZ2 LYS 83 2HZ LYS 83 4.680 -3.744 -6.186 641 HZ3 LYS 83 3HZ LYS 83 3.416 -3.898 -7.299 642 H GLU 84 H GLU 84 -0.408 1.420 -8.264 643 HA GLU 84 HA GLU 84 -0.991 2.679 -10.803 644 HB2 GLU 84 1HB GLU 84 -2.526 1.121 -8.785 645 HB3 GLU 84 2HB GLU 84 -3.428 2.220 -9.818 646 HG2 GLU 84 1HG GLU 84 -2.460 1.104 -11.794 647 HG3 GLU 84 2HG GLU 84 -1.662 -0.044 -10.719 648 H LEU 85 H LEU 85 -1.579 3.315 -7.369 649 HA LEU 85 HA LEU 85 -3.140 5.621 -7.666 650 HB2 LEU 85 1HB LEU 85 -1.345 4.613 -5.488 651 HB3 LEU 85 2HB LEU 85 -2.142 6.178 -5.352 652 HG LEU 85 HG LEU 85 -3.688 3.645 -5.833 653 HD11 LEU 85 1HD1 LEU 85 -2.255 3.495 -3.769 654 HD12 LEU 85 2HD1 LEU 85 -3.992 3.358 -3.503 655 HD13 LEU 85 3HD1 LEU 85 -3.161 4.869 -3.136 656 HD21 LEU 85 1HD2 LEU 85 -5.269 5.210 -6.105 657 HD22 LEU 85 2HD2 LEU 85 -4.291 6.471 -5.354 658 HD23 LEU 85 3HD2 LEU 85 -5.211 5.351 -4.348 659 H GLN 86 H GLN 86 0.360 5.354 -7.034 660 HA GLN 86 HA GLN 86 0.991 8.047 -7.124 661 HB2 GLN 86 1HB GLN 86 3.240 7.406 -7.386 662 HB3 GLN 86 2HB GLN 86 2.492 6.067 -6.525 663 HG2 GLN 86 1HG GLN 86 2.451 4.718 -8.463 664 HG3 GLN 86 2HG GLN 86 2.854 6.083 -9.504 665 HE21 GLN 86 1HE2 GLN 86 4.222 4.807 -6.489 666 HE22 GLN 86 2HE2 GLN 86 5.838 4.662 -7.083 667 H ALA 87 H ALA 87 0.348 5.825 -9.737 668 HA ALA 87 HA ALA 87 1.412 7.402 -11.840 669 HB1 ALA 87 1HB ALA 87 0.937 5.594 -13.035 670 HB2 ALA 87 2HB ALA 87 0.212 4.879 -11.593 671 HB3 ALA 87 3HB ALA 87 -0.789 5.789 -12.725 672 H GLU 88 H GLU 88 -1.537 7.519 -10.036 673 HA GLU 88 HA GLU 88 -2.881 9.196 -11.993 674 HB2 GLU 88 1HB GLU 88 -3.730 8.290 -9.236 675 HB3 GLU 88 2HB GLU 88 -4.732 9.219 -10.343 676 HG2 GLU 88 1HG GLU 88 -3.592 6.553 -11.100 677 HG3 GLU 88 2HG GLU 88 -5.112 6.706 -10.223 678 H GLN 89 H GLN 89 -2.109 9.535 -8.524 679 HA GLN 89 HA GLN 89 -2.568 12.257 -8.312 680 HB2 GLN 89 1HB GLN 89 -1.403 12.189 -6.261 681 HB3 GLN 89 2HB GLN 89 -2.088 10.580 -6.454 682 HG2 GLN 89 1HG GLN 89 0.011 10.024 -5.803 683 HG3 GLN 89 2HG GLN 89 0.256 10.086 -7.548 684 HE21 GLN 89 1HE2 GLN 89 2.476 10.295 -6.271 685 HE22 GLN 89 2HE2 GLN 89 3.053 11.919 -6.157 686 H GLU 90 H GLU 90 0.111 10.577 -9.728 687 HA GLU 90 HA GLU 90 1.847 12.886 -9.749 688 HB2 GLU 90 1HB GLU 90 2.792 10.628 -9.582 689 HB3 GLU 90 2HB GLU 90 2.104 10.219 -11.146 690 HG2 GLU 90 1HG GLU 90 4.410 10.684 -11.462 691 HG3 GLU 90 2HG GLU 90 3.492 12.020 -12.154 692 H ASP 91 H ASP 91 -0.159 11.115 -12.058 693 HA ASP 91 HA ASP 91 0.488 12.173 -14.454 694 HB2 ASP 91 1HB ASP 91 -1.500 10.638 -13.777 695 HB3 ASP 91 2HB ASP 91 -2.410 12.143 -13.659 696 H ARG 92 H ARG 92 -1.452 13.797 -11.972 697 HA ARG 92 HA ARG 92 -2.110 16.096 -13.408 698 HB2 ARG 92 1HB ARG 92 -1.496 16.360 -10.508 699 HB3 ARG 92 2HB ARG 92 -2.878 16.949 -11.422 700 HG2 ARG 92 1HG ARG 92 -3.366 14.347 -11.622 701 HG3 ARG 92 2HG ARG 92 -2.437 14.328 -10.121 702 HD2 ARG 92 1HD ARG 92 -3.954 16.024 -9.185 703 HD3 ARG 92 2HD ARG 92 -4.895 15.985 -10.676 704 HE ARG 92 HE ARG 92 -4.602 13.424 -9.389 705 HH11 ARG 92 1HH1 ARG 92 -6.493 16.337 -9.620 706 HH12 ARG 92 2HH1 ARG 92 -7.938 15.603 -9.009 707 HH21 ARG 92 1HH2 ARG 92 -6.498 12.445 -8.583 708 HH22 ARG 92 2HH2 ARG 92 -7.940 13.389 -8.419 709 H ALA 93 H ALA 93 0.494 15.778 -10.986 710 HA ALA 93 HA ALA 93 1.732 18.202 -11.381 711 HB1 ALA 93 1HB ALA 93 2.648 15.550 -10.418 712 HB2 ALA 93 2HB ALA 93 3.879 16.756 -10.797 713 HB3 ALA 93 3HB ALA 93 2.634 17.112 -9.599 714 H LEU 94 H LEU 94 2.473 15.138 -13.042 715 HA LEU 94 HA LEU 94 4.553 15.771 -14.623 716 HB2 LEU 94 1HB LEU 94 3.562 13.619 -14.787 717 HB3 LEU 94 2HB LEU 94 2.042 14.295 -15.369 718 HG LEU 94 HG LEU 94 3.346 15.031 -17.432 719 HD11 LEU 94 1HD1 LEU 94 5.587 14.848 -16.779 720 HD12 LEU 94 2HD1 LEU 94 5.326 13.479 -17.861 721 HD13 LEU 94 3HD1 LEU 94 5.355 13.230 -16.114 722 HD21 LEU 94 1HD2 LEU 94 2.196 13.328 -18.265 723 HD22 LEU 94 2HD2 LEU 94 2.187 12.522 -16.696 724 HD23 LEU 94 3HD2 LEU 94 3.517 12.248 -17.822 725 H ARG 95 H ARG 95 1.173 16.486 -15.508 726 HA ARG 95 HA ARG 95 1.984 18.110 -17.739 727 HB2 ARG 95 1HB ARG 95 -0.205 16.710 -17.404 728 HB3 ARG 95 2HB ARG 95 -0.780 18.156 -16.585 729 HG2 ARG 95 1HG ARG 95 -1.528 18.467 -18.742 730 HG3 ARG 95 2HG ARG 95 -0.020 19.383 -18.730 731 HD2 ARG 95 1HD ARG 95 1.133 17.699 -19.905 732 HD3 ARG 95 2HD ARG 95 -0.144 16.516 -19.618 733 HE ARG 95 HE ARG 95 -1.356 18.491 -21.057 734 HH11 ARG 95 1HH1 ARG 95 1.441 16.472 -21.522 735 HH12 ARG 95 2HH1 ARG 95 1.307 16.461 -23.248 736 HH21 ARG 95 1HH2 ARG 95 -1.542 18.484 -23.330 737 HH22 ARG 95 2HH2 ARG 95 -0.389 17.607 -24.276 738 H SER 96 H SER 96 2.908 20.019 -17.366 739 HA SER 96 HA SER 96 2.821 21.538 -15.072 740 HB2 SER 96 1HB SER 96 4.373 21.869 -17.021 741 HB3 SER 96 2HB SER 96 3.052 22.676 -17.865 742 HG SER 96 HG SER 96 4.729 23.856 -16.370 743 H PHE 97 H PHE 97 1.508 23.068 -14.218 744 HA PHE 97 HA PHE 97 -0.672 24.189 -15.755 745 HB2 PHE 97 1HB PHE 97 -1.410 21.914 -14.775 746 HB3 PHE 97 2HB PHE 97 -1.398 22.740 -13.221 747 HD1 PHE 97 1HD PHE 97 -2.873 24.754 -12.912 748 HD2 PHE 97 2HD PHE 97 -3.207 22.145 -16.258 749 HE1 PHE 97 1HE PHE 97 -5.139 25.608 -13.348 750 HE2 PHE 97 2HE PHE 97 -5.472 22.996 -16.700 751 HZ PHE 97 HZ PHE 97 -6.441 24.730 -15.245 752 H LYS 98 H LYS 98 -1.429 26.106 -14.924 753 HA LYS 98 HA LYS 98 -0.401 26.966 -12.315 754 HB2 LYS 98 1HB LYS 98 0.939 27.766 -14.434 755 HB3 LYS 98 2HB LYS 98 -0.392 28.906 -14.593 756 HG2 LYS 98 1HG LYS 98 0.150 29.347 -12.046 757 HG3 LYS 98 2HG LYS 98 1.736 28.741 -12.532 758 HD2 LYS 98 1HD LYS 98 2.089 30.488 -14.017 759 HD3 LYS 98 2HD LYS 98 0.367 30.848 -14.158 760 HE2 LYS 98 1HE LYS 98 0.369 31.684 -11.849 761 HE3 LYS 98 2HE LYS 98 2.096 31.346 -11.736 762 HZ1 LYS 98 1HZ LYS 98 0.733 33.372 -13.405 763 HZ2 LYS 98 2HZ LYS 98 2.321 32.881 -13.721 764 HZ3 LYS 98 3HZ LYS 98 1.939 33.608 -12.242 765 H SER 99 H SER 99 -1.817 28.111 -11.120 766 HA SER 99 HA SER 99 -4.181 29.250 -12.427 767 HB2 SER 99 1HB SER 99 -4.696 26.936 -11.552 768 HB3 SER 99 2HB SER 99 -4.380 27.554 -9.931 769 HG SER 99 HG SER 99 -6.193 28.677 -9.986 770 H GLY 100 H GLY 100 -5.529 30.458 -10.650 771 HA2 GLY 100 1HA GLY 100 -3.623 31.904 -8.915 772 HA3 GLY 100 2HA GLY 100 -4.869 32.729 -9.838 773 HA PRO 101 HA PRO 101 -7.274 30.271 -6.457 774 HB2 PRO 101 1HB PRO 101 -5.805 28.882 -4.644 775 HB3 PRO 101 2HB PRO 101 -6.369 28.179 -6.166 776 HG2 PRO 101 1HG PRO 101 -3.678 29.295 -5.478 777 HG3 PRO 101 2HG PRO 101 -4.081 27.821 -6.378 778 HD2 PRO 101 1HD PRO 101 -3.342 30.120 -7.603 779 HD3 PRO 101 2HD PRO 101 -4.486 28.975 -8.332 780 H SER 102 H SER 102 -7.900 30.975 -4.389 781 HA SER 102 HA SER 102 -6.039 32.829 -3.058 782 HB2 SER 102 1HB SER 102 -7.824 34.402 -2.676 783 HB3 SER 102 2HB SER 102 -7.799 34.022 -4.398 784 HG SER 102 HG SER 102 -9.415 32.290 -3.567 785 H SER 103 H SER 103 -6.131 32.925 -0.825 786 HA SER 103 HA SER 103 -7.222 30.581 0.455 787 HB2 SER 103 1HB SER 103 -5.005 31.347 1.105 788 HB3 SER 103 2HB SER 103 -5.654 32.920 1.568 789 HG SER 103 HG SER 103 -6.407 32.093 3.372 790 H GLY 104 H GLY 104 -9.458 30.838 0.364 791 HA2 GLY 104 1HA GLY 104 -10.521 33.044 2.019 792 HA3 GLY 104 2HA GLY 104 -11.375 32.378 0.637 Start of MODEL 9 1 H1 GLY 1 H GLY 1 12.123 -17.952 -23.215 2 HA2 GLY 1 1HA GLY 1 13.625 -15.714 -22.268 3 HA3 GLY 1 2HA GLY 1 12.016 -15.235 -22.788 4 H SER 2 H SER 2 13.810 -17.274 -20.548 5 HA SER 2 HA SER 2 11.840 -16.844 -18.504 6 HB2 SER 2 1HB SER 2 11.103 -18.869 -20.029 7 HB3 SER 2 2HB SER 2 12.310 -19.741 -19.085 8 HG SER 2 HG SER 2 9.854 -19.262 -18.387 9 H SER 3 H SER 3 13.146 -16.310 -16.888 10 HA SER 3 HA SER 3 15.327 -18.141 -16.186 11 HB2 SER 3 1HB SER 3 16.191 -16.124 -17.464 12 HB3 SER 3 2HB SER 3 15.663 -15.140 -16.100 13 HG SER 3 HG SER 3 17.353 -15.771 -15.029 14 H GLY 4 H GLY 4 15.579 -18.493 -14.035 15 HA2 GLY 4 1HA GLY 4 15.387 -17.351 -11.778 16 HA3 GLY 4 2HA GLY 4 13.727 -17.033 -12.258 17 H SER 5 H SER 5 14.927 -18.608 -10.009 18 HA SER 5 HA SER 5 13.733 -21.231 -10.610 19 HB2 SER 5 1HB SER 5 16.179 -21.080 -9.865 20 HB3 SER 5 2HB SER 5 15.554 -20.631 -8.279 21 HG SER 5 HG SER 5 15.921 -22.894 -8.487 22 H SER 6 H SER 6 12.857 -22.307 -8.521 23 HA SER 6 HA SER 6 10.867 -20.481 -7.439 24 HB2 SER 6 1HB SER 6 11.160 -23.485 -7.217 25 HB3 SER 6 2HB SER 6 9.822 -22.557 -6.539 26 HG SER 6 HG SER 6 9.444 -23.498 -8.664 27 H GLY 7 H GLY 7 13.209 -22.854 -6.172 28 HA2 GLY 7 1HA GLY 7 14.632 -22.436 -4.322 29 HA3 GLY 7 2HA GLY 7 13.547 -21.152 -3.810 30 H LYS 8 H LYS 8 13.482 -21.963 -1.691 31 HA LYS 8 HA LYS 8 11.497 -24.034 -1.312 32 HB2 LYS 8 1HB LYS 8 12.902 -25.334 0.256 33 HB3 LYS 8 2HB LYS 8 13.508 -25.384 -1.395 34 HG2 LYS 8 1HG LYS 8 15.027 -23.434 -0.651 35 HG3 LYS 8 2HG LYS 8 14.632 -23.967 0.985 36 HD2 LYS 8 1HD LYS 8 15.674 -26.024 0.699 37 HD3 LYS 8 2HD LYS 8 15.591 -25.933 -1.061 38 HE2 LYS 8 1HE LYS 8 17.277 -24.090 0.621 39 HE3 LYS 8 2HE LYS 8 17.877 -25.602 -0.059 40 HZ1 LYS 8 1HZ LYS 8 18.358 -23.590 -1.413 41 HZ2 LYS 8 2HZ LYS 8 16.698 -23.421 -1.690 42 HZ3 LYS 8 3HZ LYS 8 17.514 -24.794 -2.249 43 H GLU 9 H GLU 9 10.294 -23.692 0.481 44 HA GLU 9 HA GLU 9 11.219 -22.364 2.806 45 HB2 GLU 9 1HB GLU 9 10.055 -20.270 2.645 46 HB3 GLU 9 2HB GLU 9 11.090 -20.430 1.233 47 HG2 GLU 9 1HG GLU 9 9.185 -21.077 -0.121 48 HG3 GLU 9 2HG GLU 9 8.134 -20.993 1.291 49 H ALA 10 H ALA 10 9.877 -22.745 4.488 50 HA ALA 10 HA ALA 10 7.062 -23.198 4.144 51 HB1 ALA 10 1HB ALA 10 8.196 -25.588 5.373 52 HB2 ALA 10 2HB ALA 10 6.930 -25.429 4.155 53 HB3 ALA 10 3HB ALA 10 8.626 -25.400 3.672 54 H LEU 11 H LEU 11 6.254 -22.177 5.847 55 HA LEU 11 HA LEU 11 7.293 -22.782 8.505 56 HB2 LEU 11 1HB LEU 11 8.517 -20.852 8.213 57 HB3 LEU 11 2HB LEU 11 7.281 -20.096 7.209 58 HG LEU 11 HG LEU 11 5.897 -19.787 9.256 59 HD11 LEU 11 1HD1 LEU 11 8.244 -21.149 10.466 60 HD12 LEU 11 2HD1 LEU 11 6.531 -21.273 10.864 61 HD13 LEU 11 3HD1 LEU 11 7.455 -19.866 11.386 62 HD21 LEU 11 1HD2 LEU 11 7.407 -18.008 10.238 63 HD22 LEU 11 2HD2 LEU 11 7.095 -17.898 8.506 64 HD23 LEU 11 3HD2 LEU 11 8.631 -18.545 9.087 65 H GLU 12 H GLU 12 5.712 -23.013 9.969 66 HA GLU 12 HA GLU 12 3.043 -21.961 9.297 67 HB2 GLU 12 1HB GLU 12 2.012 -23.947 10.117 68 HB3 GLU 12 2HB GLU 12 3.271 -24.449 8.999 69 HG2 GLU 12 1HG GLU 12 4.758 -24.817 10.979 70 HG3 GLU 12 2HG GLU 12 3.350 -24.534 12.002 71 H ALA 13 H ALA 13 2.361 -20.531 10.733 72 HA ALA 13 HA ALA 13 2.902 -20.967 13.574 73 HB1 ALA 13 1HB ALA 13 4.667 -19.510 13.145 74 HB2 ALA 13 2HB ALA 13 3.724 -18.548 12.007 75 HB3 ALA 13 3HB ALA 13 3.389 -18.448 13.736 76 H LEU 14 H LEU 14 1.092 -20.745 14.707 77 HA LEU 14 HA LEU 14 -1.343 -19.930 13.533 78 HB2 LEU 14 1HB LEU 14 -0.783 -20.105 16.483 79 HB3 LEU 14 2HB LEU 14 -2.331 -20.299 15.662 80 HG LEU 14 HG LEU 14 -1.030 -22.336 14.542 81 HD11 LEU 14 1HD1 LEU 14 0.995 -22.578 15.458 82 HD12 LEU 14 2HD1 LEU 14 0.127 -23.250 16.837 83 HD13 LEU 14 3HD1 LEU 14 0.602 -21.552 16.838 84 HD21 LEU 14 1HD2 LEU 14 -2.408 -22.241 17.215 85 HD22 LEU 14 2HD2 LEU 14 -1.959 -23.750 16.418 86 HD23 LEU 14 3HD2 LEU 14 -3.099 -22.649 15.643 87 H VAL 15 H VAL 15 0.937 -18.310 15.688 88 HA VAL 15 HA VAL 15 -0.688 -15.982 16.046 89 HB VAL 15 HB VAL 15 0.986 -16.604 17.716 90 HG11 VAL 15 1HG1 VAL 15 2.622 -17.450 15.956 91 HG12 VAL 15 2HG1 VAL 15 3.130 -15.769 15.786 92 HG13 VAL 15 3HG1 VAL 15 3.302 -16.590 17.337 93 HG21 VAL 15 1HG2 VAL 15 1.247 -13.959 16.335 94 HG22 VAL 15 2HG2 VAL 15 0.445 -14.345 17.858 95 HG23 VAL 15 3HG2 VAL 15 2.206 -14.328 17.768 96 HA PRO 16 HA PRO 16 0.237 -13.927 12.251 97 HB2 PRO 16 1HB PRO 16 -0.496 -11.420 12.989 98 HB3 PRO 16 2HB PRO 16 -1.665 -12.698 12.639 99 HG2 PRO 16 1HG PRO 16 -0.655 -11.727 15.285 100 HG3 PRO 16 2HG PRO 16 -2.312 -12.139 14.802 101 HD2 PRO 16 1HD PRO 16 -0.747 -13.827 16.228 102 HD3 PRO 16 2HD PRO 16 -1.959 -14.402 15.066 103 H VAL 17 H VAL 17 1.369 -11.808 11.565 104 HA VAL 17 HA VAL 17 3.522 -11.006 13.357 105 HB VAL 17 HB VAL 17 5.198 -11.341 11.471 106 HG11 VAL 17 1HG1 VAL 17 5.659 -13.637 12.110 107 HG12 VAL 17 2HG1 VAL 17 5.144 -12.705 13.517 108 HG13 VAL 17 3HG1 VAL 17 4.019 -13.814 12.733 109 HG21 VAL 17 1HG2 VAL 17 2.822 -12.728 10.361 110 HG22 VAL 17 2HG2 VAL 17 4.105 -11.842 9.536 111 HG23 VAL 17 3HG2 VAL 17 4.397 -13.483 10.114 112 H THR 18 H THR 18 4.509 -9.042 12.791 113 HA THR 18 HA THR 18 2.881 -7.388 11.021 114 HB THR 18 HB THR 18 5.042 -6.615 12.991 115 HG1 THR 18 1HG THR 18 2.919 -7.399 13.778 116 HG21 THR 18 1HG2 THR 18 3.344 -5.001 11.115 117 HG22 THR 18 2HG2 THR 18 5.080 -4.897 11.411 118 HG23 THR 18 3HG2 THR 18 3.941 -4.308 12.623 119 H ILE 19 H ILE 19 3.581 -6.528 9.148 120 HA ILE 19 HA ILE 19 6.380 -7.050 8.381 121 HB ILE 19 HB ILE 19 5.631 -7.191 6.052 122 HG12 ILE 19 1HG1 ILE 19 2.783 -7.306 6.986 123 HG13 ILE 19 2HG1 ILE 19 3.525 -5.750 6.626 124 HG21 ILE 19 1HG2 ILE 19 3.820 -9.128 7.339 125 HG22 ILE 19 2HG2 ILE 19 5.144 -9.389 6.204 126 HG23 ILE 19 3HG2 ILE 19 5.488 -9.125 7.914 127 HD11 ILE 19 1HD1 ILE 19 3.407 -8.046 4.689 128 HD12 ILE 19 2HD1 ILE 19 2.231 -6.732 4.752 129 HD13 ILE 19 3HD1 ILE 19 3.917 -6.389 4.362 130 H GLU 20 H GLU 20 6.850 -5.591 6.294 131 HA GLU 20 HA GLU 20 5.939 -2.856 6.870 132 HB2 GLU 20 1HB GLU 20 8.717 -3.917 6.785 133 HB3 GLU 20 2HB GLU 20 8.437 -2.324 6.098 134 HG2 GLU 20 1HG GLU 20 7.428 -1.618 8.238 135 HG3 GLU 20 2HG GLU 20 7.831 -3.196 8.914 136 H VAL 21 H VAL 21 5.285 -1.763 5.131 137 HA VAL 21 HA VAL 21 6.051 -2.790 2.475 138 HB VAL 21 HB VAL 21 3.486 -1.310 2.947 139 HG11 VAL 21 1HG1 VAL 21 2.785 -2.390 0.931 140 HG12 VAL 21 2HG1 VAL 21 4.380 -1.691 0.648 141 HG13 VAL 21 3HG1 VAL 21 4.213 -3.425 0.927 142 HG21 VAL 21 1HG2 VAL 21 4.151 -4.032 3.816 143 HG22 VAL 21 2HG2 VAL 21 2.843 -2.964 4.328 144 HG23 VAL 21 3HG2 VAL 21 2.684 -3.905 2.845 145 H GLU 22 H GLU 22 6.788 -1.366 0.991 146 HA GLU 22 HA GLU 22 7.491 1.273 1.898 147 HB2 GLU 22 1HB GLU 22 7.978 -0.264 -0.643 148 HB3 GLU 22 2HB GLU 22 8.409 1.434 -0.502 149 HG2 GLU 22 1HG GLU 22 10.087 1.029 1.010 150 HG3 GLU 22 2HG GLU 22 9.366 -0.481 1.567 151 H VAL 23 H VAL 23 5.918 2.753 1.976 152 HA VAL 23 HA VAL 23 4.471 3.348 -0.491 153 HB VAL 23 HB VAL 23 3.102 2.943 2.172 154 HG11 VAL 23 1HG1 VAL 23 2.447 4.740 0.118 155 HG12 VAL 23 2HG1 VAL 23 1.320 3.390 -0.031 156 HG13 VAL 23 3HG1 VAL 23 1.452 4.267 1.495 157 HG21 VAL 23 1HG2 VAL 23 1.731 1.406 0.487 158 HG22 VAL 23 2HG2 VAL 23 3.294 1.359 -0.330 159 HG23 VAL 23 3HG2 VAL 23 3.158 0.823 1.345 160 HA PRO 24 HA PRO 24 5.745 7.405 0.783 161 HB2 PRO 24 1HB PRO 24 4.484 8.763 -1.200 162 HB3 PRO 24 2HB PRO 24 5.979 7.856 -1.457 163 HG2 PRO 24 1HG PRO 24 3.156 7.058 -2.048 164 HG3 PRO 24 2HG PRO 24 4.611 6.836 -3.037 165 HD2 PRO 24 1HD PRO 24 3.547 4.844 -1.543 166 HD3 PRO 24 2HD PRO 24 5.291 4.984 -1.845 167 H PHE 25 H PHE 25 4.902 8.762 2.237 168 HA PHE 25 HA PHE 25 2.345 8.510 3.287 169 HB2 PHE 25 1HB PHE 25 4.385 9.645 4.323 170 HB3 PHE 25 2HB PHE 25 3.933 11.070 3.395 171 HD1 PHE 25 1HD PHE 25 1.665 12.097 3.788 172 HD2 PHE 25 2HD PHE 25 3.347 9.150 6.359 173 HE1 PHE 25 1HE PHE 25 0.104 12.765 5.569 174 HE2 PHE 25 2HE PHE 25 1.789 9.813 8.143 175 HZ PHE 25 HZ PHE 25 0.164 11.622 7.750 176 H ASP 26 H ASP 26 3.488 10.415 0.610 177 HA ASP 26 HA ASP 26 1.454 12.298 0.381 178 HB2 ASP 26 1HB ASP 26 3.031 10.910 -1.794 179 HB3 ASP 26 2HB ASP 26 2.022 12.332 -2.048 180 H LEU 27 H LEU 27 1.331 8.913 -0.017 181 HA LEU 27 HA LEU 27 -1.167 9.057 -1.548 182 HB2 LEU 27 1HB LEU 27 0.657 6.756 -0.877 183 HB3 LEU 27 2HB LEU 27 -0.899 6.565 -1.682 184 HG LEU 27 HG LEU 27 1.512 8.026 -2.756 185 HD11 LEU 27 1HD1 LEU 27 1.179 6.197 -4.549 186 HD12 LEU 27 2HD1 LEU 27 0.272 5.356 -3.292 187 HD13 LEU 27 3HD1 LEU 27 1.966 5.770 -3.029 188 HD21 LEU 27 1HD2 LEU 27 -0.210 7.750 -4.837 189 HD22 LEU 27 2HD2 LEU 27 -0.031 9.215 -3.871 190 HD23 LEU 27 3HD2 LEU 27 -1.324 8.071 -3.507 191 H HIS 28 H HIS 28 0.151 8.166 1.559 192 HA HIS 28 HA HIS 28 -1.707 6.592 2.725 193 HB2 HIS 28 1HB HIS 28 -0.325 9.019 3.866 194 HB3 HIS 28 2HB HIS 28 -1.312 7.941 4.849 195 HD2 HIS 28 2HD HIS 28 0.805 6.039 2.292 196 HE1 HIS 28 1HE HIS 28 2.885 5.895 5.988 197 HE2 HIS 28 2HE HIS 28 2.802 5.058 3.613 198 H ARG 29 H ARG 29 -1.967 10.152 2.689 199 HA ARG 29 HA ARG 29 -4.380 10.538 3.844 200 HB2 ARG 29 1HB ARG 29 -4.489 12.599 2.788 201 HB3 ARG 29 2HB ARG 29 -2.776 12.216 2.667 202 HG2 ARG 29 1HG ARG 29 -3.296 11.286 0.365 203 HG3 ARG 29 2HG ARG 29 -4.870 12.068 0.524 204 HD2 ARG 29 1HD ARG 29 -2.417 13.667 1.058 205 HD3 ARG 29 2HD ARG 29 -2.833 13.294 -0.614 206 HE ARG 29 HE ARG 29 -4.633 14.722 -0.464 207 HH11 ARG 29 1HH1 ARG 29 -3.276 14.187 2.697 208 HH12 ARG 29 2HH1 ARG 29 -4.199 15.445 3.450 209 HH21 ARG 29 1HH2 ARG 29 -5.854 16.381 0.516 210 HH22 ARG 29 2HH2 ARG 29 -5.666 16.692 2.209 211 H TYR 30 H TYR 30 -3.820 9.351 0.574 212 HA TYR 30 HA TYR 30 -6.633 9.298 -0.069 213 HB2 TYR 30 1HB TYR 30 -4.324 8.037 -1.560 214 HB3 TYR 30 2HB TYR 30 -5.941 8.338 -2.187 215 HD1 TYR 30 2HD TYR 30 -6.428 11.088 -1.221 216 HD2 TYR 30 1HD TYR 30 -2.929 9.342 -2.899 217 HE1 TYR 30 2HE TYR 30 -5.711 13.303 -2.017 218 HE2 TYR 30 1HE TYR 30 -2.202 11.552 -3.698 219 HH TYR 30 HH TYR 30 -2.776 13.695 -3.962 220 H VAL 31 H VAL 31 -4.128 6.963 0.807 221 HA VAL 31 HA VAL 31 -5.583 4.610 0.422 222 HB VAL 31 HB VAL 31 -3.469 5.144 2.512 223 HG11 VAL 31 1HG1 VAL 31 -4.398 3.136 3.174 224 HG12 VAL 31 2HG1 VAL 31 -4.790 2.653 1.523 225 HG13 VAL 31 3HG1 VAL 31 -3.119 2.602 2.086 226 HG21 VAL 31 1HG2 VAL 31 -3.184 4.015 -0.270 227 HG22 VAL 31 2HG2 VAL 31 -2.745 5.655 0.210 228 HG23 VAL 31 3HG2 VAL 31 -1.887 4.275 0.897 229 H ILE 32 H ILE 32 -5.076 6.407 3.464 230 HA ILE 32 HA ILE 32 -6.769 4.880 5.062 231 HB ILE 32 HB ILE 32 -6.218 7.838 5.320 232 HG12 ILE 32 1HG1 ILE 32 -4.782 5.541 6.658 233 HG13 ILE 32 2HG1 ILE 32 -4.197 6.326 5.195 234 HG21 ILE 32 1HG2 ILE 32 -7.410 5.799 7.157 235 HG22 ILE 32 2HG2 ILE 32 -6.562 7.203 7.802 236 HG23 ILE 32 3HG2 ILE 32 -7.978 7.425 6.774 237 HD11 ILE 32 1HD1 ILE 32 -4.085 8.455 6.421 238 HD12 ILE 32 2HD1 ILE 32 -4.586 7.610 7.886 239 HD13 ILE 32 3HD1 ILE 32 -3.053 7.206 7.115 240 H GLY 33 H GLY 33 -7.494 7.951 3.392 241 HA2 GLY 33 1HA GLY 33 -9.478 8.806 2.613 242 HA3 GLY 33 2HA GLY 33 -10.092 7.160 2.625 243 H GLN 34 H GLN 34 -12.089 8.395 3.220 244 HA GLN 34 HA GLN 34 -12.291 9.592 5.791 245 HB2 GLN 34 1HB GLN 34 -14.666 9.662 5.389 246 HB3 GLN 34 2HB GLN 34 -13.830 10.080 3.898 247 HG2 GLN 34 1HG GLN 34 -14.114 7.628 3.256 248 HG3 GLN 34 2HG GLN 34 -15.266 7.542 4.587 249 HE21 GLN 34 1HE2 GLN 34 -16.474 6.915 2.478 250 HE22 GLN 34 2HE2 GLN 34 -17.357 8.202 1.737 251 H LYS 35 H LYS 35 -12.803 8.744 7.730 252 HA LYS 35 HA LYS 35 -12.763 7.080 9.322 253 HB2 LYS 35 1HB LYS 35 -15.165 6.489 7.603 254 HB3 LYS 35 2HB LYS 35 -14.839 5.596 9.082 255 HG2 LYS 35 1HG LYS 35 -14.780 7.845 10.254 256 HG3 LYS 35 2HG LYS 35 -15.467 8.514 8.772 257 HD2 LYS 35 1HD LYS 35 -17.479 7.455 9.066 258 HD3 LYS 35 2HD LYS 35 -16.769 6.128 9.988 259 HE2 LYS 35 1HE LYS 35 -17.990 7.345 11.568 260 HE3 LYS 35 2HE LYS 35 -16.325 7.872 11.805 261 HZ1 LYS 35 1HZ LYS 35 -18.604 9.400 11.058 262 HZ2 LYS 35 2HZ LYS 35 -17.363 9.582 9.925 263 HZ3 LYS 35 3HZ LYS 35 -17.076 9.929 11.556 264 H GLY 36 H GLY 36 -10.797 6.437 7.617 265 HA2 GLY 36 1HA GLY 36 -9.661 4.711 6.560 266 HA3 GLY 36 2HA GLY 36 -10.153 3.860 8.016 267 H SER 37 H SER 37 -12.069 4.987 5.244 268 HA SER 37 HA SER 37 -13.520 2.537 5.122 269 HB2 SER 37 1HB SER 37 -13.423 4.996 3.387 270 HB3 SER 37 2HB SER 37 -14.367 3.583 2.916 271 HG SER 37 HG SER 37 -14.928 5.491 4.753 272 H GLY 38 H GLY 38 -11.440 4.095 2.669 273 HA2 GLY 38 1HA GLY 38 -11.232 2.072 0.856 274 HA3 GLY 38 2HA GLY 38 -9.907 3.170 1.218 275 H ILE 39 H ILE 39 -9.327 2.392 3.831 276 HA ILE 39 HA ILE 39 -7.795 0.026 3.320 277 HB ILE 39 HB ILE 39 -8.135 1.696 5.808 278 HG12 ILE 39 1HG1 ILE 39 -5.932 1.429 3.756 279 HG13 ILE 39 2HG1 ILE 39 -6.922 2.849 4.077 280 HG21 ILE 39 1HG2 ILE 39 -7.614 -0.421 6.658 281 HG22 ILE 39 2HG2 ILE 39 -6.517 -0.784 5.328 282 HG23 ILE 39 3HG2 ILE 39 -6.058 0.401 6.550 283 HD11 ILE 39 1HD1 ILE 39 -5.817 2.427 6.511 284 HD12 ILE 39 2HD1 ILE 39 -4.529 1.866 5.444 285 HD13 ILE 39 3HD1 ILE 39 -5.158 3.506 5.281 286 H ARG 40 H ARG 40 -10.448 0.839 5.546 287 HA ARG 40 HA ARG 40 -10.751 -1.464 6.948 288 HB2 ARG 40 1HB ARG 40 -12.674 0.547 5.900 289 HB3 ARG 40 2HB ARG 40 -13.344 -0.954 6.526 290 HG2 ARG 40 1HG ARG 40 -12.534 -0.556 8.678 291 HG3 ARG 40 2HG ARG 40 -11.391 0.666 8.117 292 HD2 ARG 40 1HD ARG 40 -13.219 1.764 9.224 293 HD3 ARG 40 2HD ARG 40 -13.312 2.105 7.497 294 HE ARG 40 HE ARG 40 -14.891 -0.138 8.037 295 HH11 ARG 40 1HH1 ARG 40 -14.816 3.276 8.713 296 HH12 ARG 40 2HH1 ARG 40 -16.539 3.421 8.837 297 HH21 ARG 40 1HH2 ARG 40 -17.159 0.040 8.198 298 HH22 ARG 40 2HH2 ARG 40 -17.870 1.579 8.545 299 H LYS 41 H LYS 41 -11.655 -0.916 3.593 300 HA LYS 41 HA LYS 41 -13.182 -3.185 3.113 301 HB2 LYS 41 1HB LYS 41 -13.067 -1.520 1.422 302 HB3 LYS 41 2HB LYS 41 -11.313 -1.624 1.337 303 HG2 LYS 41 1HG LYS 41 -12.026 -2.728 -0.574 304 HG3 LYS 41 2HG LYS 41 -11.692 -4.040 0.560 305 HD2 LYS 41 1HD LYS 41 -13.974 -4.415 0.968 306 HD3 LYS 41 2HD LYS 41 -14.440 -2.861 0.273 307 HE2 LYS 41 1HE LYS 41 -13.070 -4.895 -1.431 308 HE3 LYS 41 2HE LYS 41 -14.788 -5.069 -1.079 309 HZ1 LYS 41 1HZ LYS 41 -15.291 -3.452 -2.496 310 HZ2 LYS 41 2HZ LYS 41 -13.703 -3.556 -3.069 311 HZ3 LYS 41 3HZ LYS 41 -14.103 -2.412 -1.887 312 H MET 42 H MET 42 -9.664 -2.782 3.033 313 HA MET 42 HA MET 42 -9.130 -5.448 2.183 314 HB2 MET 42 1HB MET 42 -7.322 -3.469 3.584 315 HB3 MET 42 2HB MET 42 -6.798 -4.944 2.784 316 HG2 MET 42 1HG MET 42 -7.119 -4.092 0.687 317 HG3 MET 42 2HG MET 42 -8.354 -2.954 1.221 318 HE1 MET 42 1HE MET 42 -4.674 -3.658 2.536 319 HE2 MET 42 2HE MET 42 -4.580 -3.694 0.776 320 HE3 MET 42 3HE MET 42 -3.802 -2.389 1.674 321 H MET 43 H MET 43 -8.559 -3.856 5.330 322 HA MET 43 HA MET 43 -7.820 -6.002 6.834 323 HB2 MET 43 1HB MET 43 -9.587 -3.681 7.606 324 HB3 MET 43 2HB MET 43 -8.947 -4.832 8.772 325 HG2 MET 43 1HG MET 43 -6.652 -4.222 7.939 326 HG3 MET 43 2HG MET 43 -7.417 -2.910 7.046 327 HE1 MET 43 1HE MET 43 -8.926 -1.074 8.214 328 HE2 MET 43 2HE MET 43 -9.794 -2.194 9.265 329 HE3 MET 43 3HE MET 43 -8.981 -0.787 9.954 330 H ASP 44 H ASP 44 -11.016 -5.251 5.651 331 HA ASP 44 HA ASP 44 -12.259 -7.335 7.251 332 HB2 ASP 44 1HB ASP 44 -13.238 -5.213 5.388 333 HB3 ASP 44 2HB ASP 44 -14.262 -6.617 5.678 334 H GLU 45 H GLU 45 -11.079 -6.829 4.013 335 HA GLU 45 HA GLU 45 -12.348 -9.189 2.943 336 HB2 GLU 45 1HB GLU 45 -11.909 -7.231 1.518 337 HB3 GLU 45 2HB GLU 45 -10.182 -7.435 1.773 338 HG2 GLU 45 1HG GLU 45 -10.498 -8.407 -0.287 339 HG3 GLU 45 2HG GLU 45 -10.554 -9.796 0.796 340 H PHE 46 H PHE 46 -8.925 -8.238 3.286 341 HA PHE 46 HA PHE 46 -8.043 -10.960 3.069 342 HB2 PHE 46 1HB PHE 46 -6.589 -8.397 3.736 343 HB3 PHE 46 2HB PHE 46 -5.790 -9.959 3.605 344 HD1 PHE 46 1HD PHE 46 -5.919 -11.191 1.398 345 HD2 PHE 46 2HD PHE 46 -7.013 -7.101 1.844 346 HE1 PHE 46 1HE PHE 46 -5.681 -10.866 -1.028 347 HE2 PHE 46 2HE PHE 46 -6.778 -6.771 -0.584 348 HZ PHE 46 HZ PHE 46 -6.112 -8.655 -2.023 349 H GLU 47 H GLU 47 -9.517 -9.383 5.514 350 HA GLU 47 HA GLU 47 -9.666 -9.643 7.773 351 HB2 GLU 47 1HB GLU 47 -8.575 -12.351 7.001 352 HB3 GLU 47 2HB GLU 47 -9.172 -11.962 8.607 353 HG2 GLU 47 1HG GLU 47 -11.377 -11.546 7.740 354 HG3 GLU 47 2HG GLU 47 -10.806 -11.774 6.088 355 H VAL 48 H VAL 48 -7.513 -8.153 7.150 356 HA VAL 48 HA VAL 48 -5.509 -9.052 9.110 357 HB VAL 48 HB VAL 48 -3.897 -7.615 7.605 358 HG11 VAL 48 1HG1 VAL 48 -4.381 -10.223 6.334 359 HG12 VAL 48 2HG1 VAL 48 -2.920 -9.576 7.086 360 HG13 VAL 48 3HG1 VAL 48 -4.200 -10.261 8.087 361 HG21 VAL 48 1HG2 VAL 48 -4.408 -7.984 5.192 362 HG22 VAL 48 2HG2 VAL 48 -6.024 -8.510 5.663 363 HG23 VAL 48 3HG2 VAL 48 -5.504 -6.858 5.993 364 H ASN 49 H ASN 49 -3.996 -7.050 9.599 365 HA ASN 49 HA ASN 49 -5.730 -4.705 10.015 366 HB2 ASN 49 1HB ASN 49 -3.827 -6.053 11.921 367 HB3 ASN 49 2HB ASN 49 -4.320 -4.377 12.142 368 HD21 ASN 49 1HD2 ASN 49 -4.820 -7.002 13.593 369 HD22 ASN 49 2HD2 ASN 49 -6.530 -7.013 13.841 370 H ILE 50 H ILE 50 -4.970 -2.866 9.207 371 HA ILE 50 HA ILE 50 -2.107 -2.721 8.528 372 HB ILE 50 HB ILE 50 -4.430 -1.274 7.249 373 HG12 ILE 50 1HG1 ILE 50 -2.605 -3.415 6.136 374 HG13 ILE 50 2HG1 ILE 50 -4.252 -3.690 6.694 375 HG21 ILE 50 1HG2 ILE 50 -1.811 -1.243 5.930 376 HG22 ILE 50 2HG2 ILE 50 -2.998 0.044 6.132 377 HG23 ILE 50 3HG2 ILE 50 -1.886 -0.342 7.444 378 HD11 ILE 50 1HD1 ILE 50 -5.112 -2.996 4.771 379 HD12 ILE 50 2HD1 ILE 50 -4.096 -1.555 4.744 380 HD13 ILE 50 3HD1 ILE 50 -3.472 -3.084 4.127 381 H HIS 51 H HIS 51 -0.895 -1.183 9.433 382 HA HIS 51 HA HIS 51 -2.264 0.995 10.872 383 HB2 HIS 51 1HB HIS 51 -0.040 -0.805 11.692 384 HB3 HIS 51 2HB HIS 51 0.041 0.873 12.219 385 HD1 HIS 51 1HD HIS 51 -0.495 0.575 14.655 386 HD2 HIS 51 2HD HIS 51 -3.281 -1.247 12.168 387 HE1 HIS 51 1HE HIS 51 -2.367 -0.157 16.165 388 H VAL 52 H VAL 52 -1.810 2.969 10.172 389 HA VAL 52 HA VAL 52 0.550 3.345 8.460 390 HB VAL 52 HB VAL 52 -1.932 5.047 8.728 391 HG11 VAL 52 1HG1 VAL 52 0.130 5.371 6.588 392 HG12 VAL 52 2HG1 VAL 52 -1.068 6.526 7.174 393 HG13 VAL 52 3HG1 VAL 52 0.349 6.148 8.155 394 HG21 VAL 52 1HG2 VAL 52 -2.650 4.179 6.679 395 HG22 VAL 52 2HG2 VAL 52 -1.063 3.509 6.302 396 HG23 VAL 52 3HG2 VAL 52 -2.057 2.768 7.557 397 HA PRO 53 HA PRO 53 2.514 5.732 11.608 398 HB2 PRO 53 1HB PRO 53 4.309 7.035 10.043 399 HB3 PRO 53 2HB PRO 53 4.469 5.327 10.471 400 HG2 PRO 53 1HG PRO 53 3.415 6.558 7.954 401 HG3 PRO 53 2HG PRO 53 4.497 5.168 8.152 402 HD2 PRO 53 1HD PRO 53 1.850 4.894 7.651 403 HD3 PRO 53 2HD PRO 53 2.763 3.725 8.628 404 H ALA 54 H ALA 54 1.988 7.597 12.564 405 HA ALA 54 HA ALA 54 0.205 9.441 11.482 406 HB1 ALA 54 1HB ALA 54 1.747 10.749 13.475 407 HB2 ALA 54 2HB ALA 54 0.131 10.056 13.610 408 HB3 ALA 54 3HB ALA 54 1.548 9.062 13.949 409 HA PRO 55 HA PRO 55 2.504 12.357 9.145 410 HB2 PRO 55 1HB PRO 55 1.582 14.755 10.019 411 HB3 PRO 55 2HB PRO 55 0.614 13.657 9.029 412 HG2 PRO 55 1HG PRO 55 0.563 14.079 11.992 413 HG3 PRO 55 2HG PRO 55 -0.794 13.894 10.865 414 HD2 PRO 55 1HD PRO 55 0.092 11.864 12.422 415 HD3 PRO 55 2HD PRO 55 -0.599 11.598 10.808 416 H GLU 56 H GLU 56 2.529 12.880 12.628 417 HA GLU 56 HA GLU 56 4.666 14.731 12.690 418 HB2 GLU 56 1HB GLU 56 4.733 14.348 15.051 419 HB3 GLU 56 2HB GLU 56 3.047 14.315 14.555 420 HG2 GLU 56 1HG GLU 56 3.057 12.490 15.891 421 HG3 GLU 56 2HG GLU 56 3.532 11.720 14.377 422 H LEU 57 H LEU 57 4.535 11.313 12.290 423 HA LEU 57 HA LEU 57 7.309 10.900 13.033 424 HB2 LEU 57 1HB LEU 57 5.272 9.031 11.833 425 HB3 LEU 57 2HB LEU 57 6.890 8.565 12.354 426 HG LEU 57 HG LEU 57 4.881 9.742 14.256 427 HD11 LEU 57 1HD1 LEU 57 3.667 7.895 13.685 428 HD12 LEU 57 2HD1 LEU 57 4.730 7.193 14.905 429 HD13 LEU 57 3HD1 LEU 57 5.089 6.975 13.192 430 HD21 LEU 57 1HD2 LEU 57 6.575 7.888 15.483 431 HD22 LEU 57 2HD2 LEU 57 6.620 9.644 15.632 432 HD23 LEU 57 3HD2 LEU 57 7.607 8.837 14.411 433 H GLN 58 H GLN 58 5.476 11.626 10.222 434 HA GLN 58 HA GLN 58 5.977 11.729 7.994 435 HB2 GLN 58 1HB GLN 58 8.765 12.353 8.962 436 HB3 GLN 58 2HB GLN 58 7.995 12.902 7.479 437 HG2 GLN 58 1HG GLN 58 6.696 14.463 8.571 438 HG3 GLN 58 2HG GLN 58 6.822 13.635 10.122 439 HE21 GLN 58 1HE2 GLN 58 8.531 15.624 7.798 440 HE22 GLN 58 2HE2 GLN 58 9.696 16.254 8.909 441 H SER 59 H SER 59 5.893 9.151 8.648 442 HA SER 59 HA SER 59 8.342 7.925 7.585 443 HB2 SER 59 1HB SER 59 7.159 7.215 9.829 444 HB3 SER 59 2HB SER 59 6.095 6.319 8.745 445 HG SER 59 HG SER 59 7.611 4.872 8.757 446 H ASP 60 H ASP 60 8.230 6.382 5.915 447 HA ASP 60 HA ASP 60 5.779 6.551 4.284 448 HB2 ASP 60 1HB ASP 60 8.578 6.086 3.244 449 HB3 ASP 60 2HB ASP 60 7.128 6.423 2.302 450 H ILE 61 H ILE 61 6.755 4.575 6.384 451 HA ILE 61 HA ILE 61 6.565 2.156 4.710 452 HB ILE 61 HB ILE 61 7.724 2.122 7.476 453 HG12 ILE 61 1HG1 ILE 61 8.955 3.821 6.126 454 HG13 ILE 61 2HG1 ILE 61 9.947 2.441 6.583 455 HG21 ILE 61 1HG2 ILE 61 7.508 -0.052 6.886 456 HG22 ILE 61 2HG2 ILE 61 7.545 0.300 5.159 457 HG23 ILE 61 3HG2 ILE 61 9.048 0.258 6.081 458 HD11 ILE 61 1HD1 ILE 61 10.547 2.644 4.406 459 HD12 ILE 61 2HD1 ILE 61 9.167 1.562 4.219 460 HD13 ILE 61 3HD1 ILE 61 8.980 3.289 3.916 461 H ILE 62 H ILE 62 4.671 1.176 4.882 462 HA ILE 62 HA ILE 62 2.997 1.649 7.224 463 HB ILE 62 HB ILE 62 2.443 0.416 4.534 464 HG12 ILE 62 1HG1 ILE 62 1.314 2.825 5.977 465 HG13 ILE 62 2HG1 ILE 62 2.470 2.866 4.650 466 HG21 ILE 62 1HG2 ILE 62 1.047 0.004 7.062 467 HG22 ILE 62 2HG2 ILE 62 0.005 0.597 5.770 468 HG23 ILE 62 3HG2 ILE 62 0.931 -0.886 5.544 469 HD11 ILE 62 1HD1 ILE 62 0.807 2.899 3.201 470 HD12 ILE 62 2HD1 ILE 62 0.216 1.357 3.820 471 HD13 ILE 62 3HD1 ILE 62 -0.349 2.868 4.532 472 H ALA 63 H ALA 63 2.391 0.108 8.664 473 HA ALA 63 HA ALA 63 3.760 -2.484 8.455 474 HB1 ALA 63 1HB ALA 63 4.334 -1.209 10.431 475 HB2 ALA 63 2HB ALA 63 2.631 -1.073 10.869 476 HB3 ALA 63 3HB ALA 63 3.423 -2.648 10.888 477 H ILE 64 H ILE 64 2.635 -4.303 8.184 478 HA ILE 64 HA ILE 64 -0.280 -4.214 8.616 479 HB ILE 64 HB ILE 64 1.161 -5.842 6.520 480 HG12 ILE 64 1HG1 ILE 64 -0.559 -3.379 6.155 481 HG13 ILE 64 2HG1 ILE 64 1.200 -3.384 6.082 482 HG21 ILE 64 1HG2 ILE 64 -1.643 -5.457 6.073 483 HG22 ILE 64 2HG2 ILE 64 -0.738 -6.958 6.252 484 HG23 ILE 64 3HG2 ILE 64 -1.378 -6.140 7.677 485 HD11 ILE 64 1HD1 ILE 64 -0.722 -4.730 4.208 486 HD12 ILE 64 2HD1 ILE 64 0.398 -3.413 3.858 487 HD13 ILE 64 3HD1 ILE 64 1.015 -5.029 4.202 488 H THR 65 H THR 65 -0.986 -5.569 10.114 489 HA THR 65 HA THR 65 0.745 -7.771 10.971 490 HB THR 65 HB THR 65 -1.730 -6.716 12.349 491 HG1 THR 65 1HG THR 65 0.918 -6.191 13.187 492 HG21 THR 65 1HG2 THR 65 -0.556 -9.090 12.764 493 HG22 THR 65 2HG2 THR 65 -1.287 -8.144 14.061 494 HG23 THR 65 3HG2 THR 65 0.457 -8.088 13.802 495 H GLY 66 H GLY 66 0.071 -9.894 11.031 496 HA2 GLY 66 1HA GLY 66 -2.344 -11.055 10.888 497 HA3 GLY 66 2HA GLY 66 -2.101 -10.552 9.221 498 H LEU 67 H LEU 67 -2.432 -13.120 9.430 499 HA LEU 67 HA LEU 67 -0.130 -14.650 10.072 500 HB2 LEU 67 1HB LEU 67 -2.575 -15.231 8.421 501 HB3 LEU 67 2HB LEU 67 -1.302 -16.420 8.686 502 HG LEU 67 HG LEU 67 -3.018 -15.162 10.828 503 HD11 LEU 67 1HD1 LEU 67 -4.013 -17.368 11.032 504 HD12 LEU 67 2HD1 LEU 67 -3.011 -17.962 9.708 505 HD13 LEU 67 3HD1 LEU 67 -4.240 -16.734 9.401 506 HD21 LEU 67 1HD2 LEU 67 -0.609 -16.892 10.888 507 HD22 LEU 67 2HD2 LEU 67 -1.901 -17.249 12.034 508 HD23 LEU 67 3HD2 LEU 67 -1.147 -15.655 12.023 509 H ALA 68 H ALA 68 1.568 -15.295 8.860 510 HA ALA 68 HA ALA 68 2.663 -13.894 6.860 511 HB1 ALA 68 1HB ALA 68 3.794 -16.010 6.104 512 HB2 ALA 68 2HB ALA 68 3.905 -15.666 7.830 513 HB3 ALA 68 3HB ALA 68 2.764 -16.876 7.245 514 H ALA 69 H ALA 69 0.255 -16.447 6.418 515 HA ALA 69 HA ALA 69 0.289 -16.486 3.603 516 HB1 ALA 69 1HB ALA 69 -1.616 -17.827 3.721 517 HB2 ALA 69 2HB ALA 69 -0.773 -18.159 5.235 518 HB3 ALA 69 3HB ALA 69 -2.165 -17.077 5.220 519 H ASN 70 H ASN 70 -1.794 -14.734 5.893 520 HA ASN 70 HA ASN 70 -3.345 -13.434 3.917 521 HB2 ASN 70 1HB ASN 70 -2.818 -12.400 6.705 522 HB3 ASN 70 2HB ASN 70 -4.235 -12.113 5.698 523 HD21 ASN 70 1HD2 ASN 70 -4.659 -12.963 8.185 524 HD22 ASN 70 2HD2 ASN 70 -5.166 -14.614 8.202 525 H LEU 71 H LEU 71 -0.502 -12.415 5.779 526 HA LEU 71 HA LEU 71 -0.284 -9.797 4.959 527 HB2 LEU 71 1HB LEU 71 2.020 -11.709 5.288 528 HB3 LEU 71 2HB LEU 71 2.075 -9.953 5.432 529 HG LEU 71 HG LEU 71 0.426 -11.647 7.288 530 HD11 LEU 71 1HD1 LEU 71 2.195 -12.295 8.471 531 HD12 LEU 71 2HD1 LEU 71 2.941 -10.698 8.376 532 HD13 LEU 71 3HD1 LEU 71 3.171 -11.859 7.068 533 HD21 LEU 71 1HD2 LEU 71 1.042 -8.826 6.975 534 HD22 LEU 71 2HD2 LEU 71 1.403 -9.421 8.596 535 HD23 LEU 71 3HD2 LEU 71 -0.218 -9.611 7.926 536 H ASP 72 H ASP 72 0.753 -12.717 3.267 537 HA ASP 72 HA ASP 72 2.138 -11.504 1.160 538 HB2 ASP 72 1HB ASP 72 0.815 -14.137 1.586 539 HB3 ASP 72 2HB ASP 72 1.209 -13.686 -0.072 540 H ARG 73 H ARG 73 -1.273 -12.507 1.352 541 HA ARG 73 HA ARG 73 -1.987 -11.580 -1.213 542 HB2 ARG 73 1HB ARG 73 -4.005 -11.596 0.980 543 HB3 ARG 73 2HB ARG 73 -4.141 -12.181 -0.673 544 HG2 ARG 73 1HG ARG 73 -2.372 -13.946 0.195 545 HG3 ARG 73 2HG ARG 73 -3.111 -13.545 1.747 546 HD2 ARG 73 1HD ARG 73 -4.678 -14.353 -0.694 547 HD3 ARG 73 2HD ARG 73 -4.144 -15.489 0.544 548 HE ARG 73 HE ARG 73 -5.671 -13.244 1.529 549 HH11 ARG 73 1HH1 ARG 73 -5.756 -16.514 0.337 550 HH12 ARG 73 2HH1 ARG 73 -7.279 -16.882 1.076 551 HH21 ARG 73 1HH2 ARG 73 -7.678 -13.716 2.506 552 HH22 ARG 73 2HH2 ARG 73 -8.372 -15.290 2.309 553 H ALA 74 H ALA 74 -2.581 -10.133 1.994 554 HA ALA 74 HA ALA 74 -3.740 -7.762 1.167 555 HB1 ALA 74 1HB ALA 74 -3.754 -7.324 3.347 556 HB2 ALA 74 2HB ALA 74 -2.872 -8.835 3.582 557 HB3 ALA 74 3HB ALA 74 -1.991 -7.315 3.421 558 H LYS 75 H LYS 75 -0.308 -8.166 2.070 559 HA LYS 75 HA LYS 75 0.665 -5.722 1.358 560 HB2 LYS 75 1HB LYS 75 1.915 -7.724 2.343 561 HB3 LYS 75 2HB LYS 75 2.146 -8.259 0.684 562 HG2 LYS 75 1HG LYS 75 3.261 -6.091 0.202 563 HG3 LYS 75 2HG LYS 75 3.143 -5.703 1.920 564 HD2 LYS 75 1HD LYS 75 4.609 -7.436 2.524 565 HD3 LYS 75 2HD LYS 75 4.445 -8.234 0.958 566 HE2 LYS 75 1HE LYS 75 5.510 -6.145 -0.035 567 HE3 LYS 75 2HE LYS 75 5.925 -5.701 1.620 568 HZ1 LYS 75 1HZ LYS 75 7.334 -7.521 1.835 569 HZ2 LYS 75 2HZ LYS 75 7.645 -6.973 0.266 570 HZ3 LYS 75 3HZ LYS 75 6.670 -8.335 0.509 571 H ALA 76 H ALA 76 0.017 -8.450 -0.795 572 HA ALA 76 HA ALA 76 1.123 -7.424 -3.140 573 HB1 ALA 76 1HB ALA 76 0.113 -9.163 -4.219 574 HB2 ALA 76 2HB ALA 76 0.010 -9.748 -2.558 575 HB3 ALA 76 3HB ALA 76 -1.394 -8.995 -3.316 576 H GLY 77 H GLY 77 -2.071 -6.925 -1.704 577 HA2 GLY 77 1HA GLY 77 -3.162 -5.480 -3.891 578 HA3 GLY 77 2HA GLY 77 -3.777 -5.484 -2.246 579 H LEU 78 H LEU 78 -1.689 -4.411 -0.836 580 HA LEU 78 HA LEU 78 -2.043 -1.668 -1.201 581 HB2 LEU 78 1HB LEU 78 -1.278 -2.887 0.877 582 HB3 LEU 78 2HB LEU 78 0.328 -2.932 0.153 583 HG LEU 78 HG LEU 78 0.307 -0.440 0.111 584 HD11 LEU 78 1HD1 LEU 78 -2.084 -0.064 0.125 585 HD12 LEU 78 2HD1 LEU 78 -1.342 0.714 1.522 586 HD13 LEU 78 3HD1 LEU 78 -2.217 -0.804 1.722 587 HD21 LEU 78 1HD2 LEU 78 -0.164 -1.084 2.946 588 HD22 LEU 78 2HD2 LEU 78 1.244 -0.370 2.159 589 HD23 LEU 78 3HD2 LEU 78 0.997 -2.117 2.110 590 H LEU 79 H LEU 79 0.869 -3.615 -1.880 591 HA LEU 79 HA LEU 79 2.468 -1.679 -2.986 592 HB2 LEU 79 1HB LEU 79 2.166 -4.592 -3.654 593 HB3 LEU 79 2HB LEU 79 3.384 -3.578 -4.425 594 HG LEU 79 HG LEU 79 3.193 -4.059 -1.452 595 HD11 LEU 79 1HD1 LEU 79 5.517 -5.216 -2.410 596 HD12 LEU 79 2HD1 LEU 79 4.287 -5.687 -3.583 597 HD13 LEU 79 3HD1 LEU 79 4.064 -6.061 -1.875 598 HD21 LEU 79 1HD2 LEU 79 4.337 -2.066 -1.681 599 HD22 LEU 79 2HD2 LEU 79 5.052 -2.530 -3.224 600 HD23 LEU 79 3HD2 LEU 79 5.648 -3.246 -1.726 601 H GLU 80 H GLU 80 -0.012 -3.615 -4.626 602 HA GLU 80 HA GLU 80 0.416 -2.555 -7.205 603 HB2 GLU 80 1HB GLU 80 -1.912 -3.939 -5.898 604 HB3 GLU 80 2HB GLU 80 -2.023 -3.332 -7.545 605 HG2 GLU 80 1HG GLU 80 0.018 -4.703 -8.071 606 HG3 GLU 80 2HG GLU 80 -0.167 -5.441 -6.481 607 H ARG 81 H ARG 81 -1.572 -1.517 -4.500 608 HA ARG 81 HA ARG 81 -3.093 0.420 -5.880 609 HB2 ARG 81 1HB ARG 81 -3.302 -0.607 -3.446 610 HB3 ARG 81 2HB ARG 81 -2.370 0.821 -3.012 611 HG2 ARG 81 1HG ARG 81 -4.462 1.655 -2.753 612 HG3 ARG 81 2HG ARG 81 -4.225 2.025 -4.462 613 HD2 ARG 81 1HD ARG 81 -5.373 -0.080 -5.044 614 HD3 ARG 81 2HD ARG 81 -5.658 -0.375 -3.329 615 HE ARG 81 HE ARG 81 -6.691 2.138 -3.928 616 HH11 ARG 81 1HH1 ARG 81 -7.266 -1.190 -4.772 617 HH12 ARG 81 2HH1 ARG 81 -8.960 -0.962 -5.056 618 HH21 ARG 81 1HH2 ARG 81 -8.919 2.452 -4.299 619 HH22 ARG 81 2HH2 ARG 81 -9.898 1.111 -4.788 620 H VAL 82 H VAL 82 0.006 0.574 -4.189 621 HA VAL 82 HA VAL 82 0.323 3.388 -4.404 622 HB VAL 82 HB VAL 82 2.285 1.158 -3.906 623 HG11 VAL 82 1HG1 VAL 82 3.829 2.584 -4.730 624 HG12 VAL 82 2HG1 VAL 82 2.786 3.995 -4.541 625 HG13 VAL 82 3HG1 VAL 82 3.655 3.346 -3.150 626 HG21 VAL 82 1HG2 VAL 82 2.150 3.072 -1.823 627 HG22 VAL 82 2HG2 VAL 82 0.497 2.663 -2.280 628 HG23 VAL 82 3HG2 VAL 82 1.619 1.390 -1.800 629 H LYS 83 H LYS 83 1.533 0.660 -6.325 630 HA LYS 83 HA LYS 83 3.044 2.197 -8.142 631 HB2 LYS 83 1HB LYS 83 1.778 -0.531 -8.422 632 HB3 LYS 83 2HB LYS 83 2.870 0.165 -9.611 633 HG2 LYS 83 1HG LYS 83 4.699 0.075 -8.154 634 HG3 LYS 83 2HG LYS 83 3.669 -0.160 -6.739 635 HD2 LYS 83 1HD LYS 83 2.967 -2.357 -7.771 636 HD3 LYS 83 2HD LYS 83 4.264 -2.122 -8.947 637 HE2 LYS 83 1HE LYS 83 5.835 -1.889 -6.988 638 HE3 LYS 83 2HE LYS 83 4.506 -2.424 -5.959 639 HZ1 LYS 83 1HZ LYS 83 5.369 -4.020 -8.289 640 HZ2 LYS 83 2HZ LYS 83 4.506 -4.522 -6.923 641 HZ3 LYS 83 3HZ LYS 83 6.153 -4.163 -6.797 642 H GLU 84 H GLU 84 -0.342 1.373 -7.983 643 HA GLU 84 HA GLU 84 -0.877 2.301 -10.674 644 HB2 GLU 84 1HB GLU 84 -2.110 0.432 -9.296 645 HB3 GLU 84 2HB GLU 84 -3.027 1.790 -8.657 646 HG2 GLU 84 1HG GLU 84 -2.810 0.921 -11.526 647 HG3 GLU 84 2HG GLU 84 -4.234 0.861 -10.488 648 H LEU 85 H LEU 85 -1.295 3.431 -7.365 649 HA LEU 85 HA LEU 85 -2.802 5.749 -8.042 650 HB2 LEU 85 1HB LEU 85 -1.250 4.931 -5.605 651 HB3 LEU 85 2HB LEU 85 -2.056 6.494 -5.720 652 HG LEU 85 HG LEU 85 -3.529 3.889 -6.042 653 HD11 LEU 85 1HD1 LEU 85 -2.665 3.679 -3.880 654 HD12 LEU 85 2HD1 LEU 85 -4.263 4.384 -3.645 655 HD13 LEU 85 3HD1 LEU 85 -2.828 5.404 -3.548 656 HD21 LEU 85 1HD2 LEU 85 -4.782 6.337 -4.969 657 HD22 LEU 85 2HD2 LEU 85 -5.419 5.126 -6.081 658 HD23 LEU 85 3HD2 LEU 85 -4.322 6.376 -6.672 659 H GLN 86 H GLN 86 0.609 5.282 -7.123 660 HA GLN 86 HA GLN 86 1.434 7.926 -7.415 661 HB2 GLN 86 1HB GLN 86 3.622 7.134 -7.282 662 HB3 GLN 86 2HB GLN 86 2.699 5.883 -6.460 663 HG2 GLN 86 1HG GLN 86 2.793 4.462 -8.385 664 HG3 GLN 86 2HG GLN 86 3.542 5.738 -9.343 665 HE21 GLN 86 1HE2 GLN 86 4.193 4.606 -6.053 666 HE22 GLN 86 2HE2 GLN 86 5.848 4.196 -6.335 667 H ALA 87 H ALA 87 1.121 5.353 -9.801 668 HA ALA 87 HA ALA 87 2.438 6.580 -11.940 669 HB1 ALA 87 1HB ALA 87 0.866 5.131 -13.348 670 HB2 ALA 87 2HB ALA 87 1.935 4.312 -12.207 671 HB3 ALA 87 3HB ALA 87 0.234 4.550 -11.807 672 H GLU 88 H GLU 88 -0.626 7.240 -10.500 673 HA GLU 88 HA GLU 88 -1.681 8.662 -12.782 674 HB2 GLU 88 1HB GLU 88 -2.631 8.289 -9.949 675 HB3 GLU 88 2HB GLU 88 -3.452 9.359 -11.076 676 HG2 GLU 88 1HG GLU 88 -3.436 7.223 -12.605 677 HG3 GLU 88 2HG GLU 88 -3.278 6.395 -11.057 678 H GLN 89 H GLN 89 -0.712 9.596 -9.479 679 HA GLN 89 HA GLN 89 -0.846 12.372 -9.945 680 HB2 GLN 89 1HB GLN 89 0.484 12.567 -7.858 681 HB3 GLN 89 2HB GLN 89 -0.912 11.509 -7.692 682 HG2 GLN 89 1HG GLN 89 0.356 9.635 -7.449 683 HG3 GLN 89 2HG GLN 89 1.686 10.275 -8.414 684 HE21 GLN 89 1HE2 GLN 89 3.299 9.876 -6.977 685 HE22 GLN 89 2HE2 GLN 89 3.434 10.658 -5.442 686 H GLU 90 H GLU 90 1.438 10.031 -10.887 687 HA GLU 90 HA GLU 90 3.667 11.868 -11.082 688 HB2 GLU 90 1HB GLU 90 3.816 9.348 -10.612 689 HB3 GLU 90 2HB GLU 90 3.512 9.132 -12.330 690 HG2 GLU 90 1HG GLU 90 5.520 10.228 -12.920 691 HG3 GLU 90 2HG GLU 90 5.760 10.821 -11.277 692 H ASP 91 H ASP 91 1.297 10.379 -13.216 693 HA ASP 91 HA ASP 91 2.354 11.013 -15.691 694 HB2 ASP 91 1HB ASP 91 0.359 9.635 -15.440 695 HB3 ASP 91 2HB ASP 91 -0.548 11.019 -14.837 696 H ARG 92 H ARG 92 0.462 13.038 -13.497 697 HA ARG 92 HA ARG 92 0.273 15.252 -15.277 698 HB2 ARG 92 1HB ARG 92 -0.355 16.510 -13.177 699 HB3 ARG 92 2HB ARG 92 -1.353 15.110 -13.549 700 HG2 ARG 92 1HG ARG 92 -0.305 13.810 -11.861 701 HG3 ARG 92 2HG ARG 92 0.948 15.027 -11.616 702 HD2 ARG 92 1HD ARG 92 -0.438 15.497 -9.853 703 HD3 ARG 92 2HD ARG 92 -1.104 16.572 -11.081 704 HE ARG 92 HE ARG 92 -2.354 14.220 -9.957 705 HH11 ARG 92 1HH1 ARG 92 -2.329 16.550 -12.543 706 HH12 ARG 92 2HH1 ARG 92 -3.983 16.276 -12.981 707 HH21 ARG 92 1HH2 ARG 92 -4.533 13.850 -10.524 708 HH22 ARG 92 2HH2 ARG 92 -5.235 14.742 -11.831 709 H ALA 93 H ALA 93 2.670 14.139 -13.033 710 HA ALA 93 HA ALA 93 4.054 16.622 -12.751 711 HB1 ALA 93 1HB ALA 93 4.182 14.105 -11.555 712 HB2 ALA 93 2HB ALA 93 5.746 14.325 -12.342 713 HB3 ALA 93 3HB ALA 93 5.169 15.517 -11.179 714 H LEU 94 H LEU 94 4.648 13.683 -14.673 715 HA LEU 94 HA LEU 94 6.983 14.534 -15.940 716 HB2 LEU 94 1HB LEU 94 4.865 12.540 -16.545 717 HB3 LEU 94 2HB LEU 94 5.998 12.960 -17.828 718 HG LEU 94 HG LEU 94 6.638 10.919 -16.600 719 HD11 LEU 94 1HD1 LEU 94 8.930 12.220 -15.765 720 HD12 LEU 94 2HD1 LEU 94 8.284 13.267 -17.028 721 HD13 LEU 94 3HD1 LEU 94 8.619 11.571 -17.374 722 HD21 LEU 94 1HD2 LEU 94 7.115 10.864 -14.346 723 HD22 LEU 94 2HD2 LEU 94 5.726 11.950 -14.388 724 HD23 LEU 94 3HD2 LEU 94 7.356 12.608 -14.244 725 H ARG 95 H ARG 95 3.617 14.731 -17.089 726 HA ARG 95 HA ARG 95 4.253 16.160 -19.452 727 HB2 ARG 95 1HB ARG 95 2.108 14.822 -18.823 728 HB3 ARG 95 2HB ARG 95 1.578 16.337 -18.105 729 HG2 ARG 95 1HG ARG 95 2.100 17.381 -20.383 730 HG3 ARG 95 2HG ARG 95 2.142 15.720 -20.981 731 HD2 ARG 95 1HD ARG 95 -0.059 16.336 -21.358 732 HD3 ARG 95 2HD ARG 95 -0.155 15.499 -19.808 733 HE ARG 95 HE ARG 95 -0.839 17.457 -18.861 734 HH11 ARG 95 1HH1 ARG 95 0.774 18.179 -21.860 735 HH12 ARG 95 2HH1 ARG 95 0.408 19.872 -21.800 736 HH21 ARG 95 1HH2 ARG 95 -1.328 19.682 -18.771 737 HH22 ARG 95 2HH2 ARG 95 -0.787 20.726 -20.041 738 H SER 96 H SER 96 4.632 18.256 -19.776 739 HA SER 96 HA SER 96 3.972 20.143 -17.610 740 HB2 SER 96 1HB SER 96 6.020 21.339 -18.017 741 HB3 SER 96 2HB SER 96 6.429 19.636 -17.811 742 HG SER 96 HG SER 96 7.457 20.025 -19.630 743 H PHE 97 H PHE 97 4.093 22.488 -18.482 744 HA PHE 97 HA PHE 97 2.022 23.058 -20.099 745 HB2 PHE 97 1HB PHE 97 3.141 25.218 -20.649 746 HB3 PHE 97 2HB PHE 97 3.208 24.813 -18.937 747 HD1 PHE 97 1HD PHE 97 5.307 24.159 -17.894 748 HD2 PHE 97 2HD PHE 97 5.125 25.273 -21.997 749 HE1 PHE 97 1HE PHE 97 7.753 24.420 -17.927 750 HE2 PHE 97 2HE PHE 97 7.571 25.535 -22.038 751 HZ PHE 97 HZ PHE 97 8.888 25.108 -20.002 752 H LYS 98 H LYS 98 1.525 23.122 -22.228 753 HA LYS 98 HA LYS 98 3.650 22.542 -24.172 754 HB2 LYS 98 1HB LYS 98 2.299 20.480 -23.524 755 HB3 LYS 98 2HB LYS 98 0.926 21.253 -24.307 756 HG2 LYS 98 1HG LYS 98 1.905 21.118 -26.422 757 HG3 LYS 98 2HG LYS 98 3.514 20.826 -25.757 758 HD2 LYS 98 1HD LYS 98 1.303 18.883 -25.224 759 HD3 LYS 98 2HD LYS 98 2.148 18.851 -26.774 760 HE2 LYS 98 1HE LYS 98 4.197 18.328 -25.774 761 HE3 LYS 98 2HE LYS 98 3.651 18.840 -24.177 762 HZ1 LYS 98 1HZ LYS 98 3.587 16.276 -25.273 763 HZ2 LYS 98 2HZ LYS 98 1.981 16.775 -25.087 764 HZ3 LYS 98 3HZ LYS 98 3.027 16.774 -23.756 765 H SER 99 H SER 99 3.442 23.530 -26.142 766 HA SER 99 HA SER 99 2.765 25.073 -27.671 767 HB2 SER 99 1HB SER 99 0.823 23.585 -27.922 768 HB3 SER 99 2HB SER 99 0.006 24.423 -26.601 769 HG SER 99 HG SER 99 0.934 25.934 -28.763 770 H GLY 100 H GLY 100 3.731 26.105 -25.316 771 HA2 GLY 100 1HA GLY 100 1.975 28.441 -24.866 772 HA3 GLY 100 2HA GLY 100 3.019 27.764 -23.624 773 HA PRO 101 HA PRO 101 6.079 30.710 -24.727 774 HB2 PRO 101 1HB PRO 101 8.300 29.425 -23.838 775 HB3 PRO 101 2HB PRO 101 7.116 30.163 -22.751 776 HG2 PRO 101 1HG PRO 101 7.421 27.295 -23.554 777 HG3 PRO 101 2HG PRO 101 7.096 27.979 -21.951 778 HD2 PRO 101 1HD PRO 101 5.150 26.911 -23.501 779 HD3 PRO 101 2HD PRO 101 4.851 28.262 -22.388 780 H SER 102 H SER 102 5.641 27.865 -26.334 781 HA SER 102 HA SER 102 7.866 27.195 -27.723 782 HB2 SER 102 1HB SER 102 6.471 26.408 -29.477 783 HB3 SER 102 2HB SER 102 5.493 26.297 -28.014 784 HG SER 102 HG SER 102 4.256 27.914 -28.693 785 H SER 103 H SER 103 9.366 28.389 -28.675 786 HA SER 103 HA SER 103 9.067 31.078 -29.400 787 HB2 SER 103 1HB SER 103 11.259 30.862 -30.460 788 HB3 SER 103 2HB SER 103 11.247 30.017 -28.912 789 HG SER 103 HG SER 103 10.655 28.114 -30.321 790 H GLY 104 H GLY 104 9.044 28.134 -31.389 791 HA2 GLY 104 1HA GLY 104 8.968 29.020 -33.922 792 HA3 GLY 104 2HA GLY 104 7.884 27.754 -33.364 Start of MODEL 10 1 H1 GLY 1 H GLY 1 20.943 -18.533 -3.887 2 HA2 GLY 1 1HA GLY 1 19.703 -19.714 -6.125 3 HA3 GLY 1 2HA GLY 1 21.055 -18.737 -6.677 4 H SER 2 H SER 2 20.087 -21.600 -4.968 5 HA SER 2 HA SER 2 22.870 -22.543 -5.083 6 HB2 SER 2 1HB SER 2 20.940 -22.856 -2.776 7 HB3 SER 2 2HB SER 2 22.432 -23.782 -2.932 8 HG SER 2 HG SER 2 23.606 -21.964 -2.655 9 H SER 3 H SER 3 23.087 -24.403 -6.131 10 HA SER 3 HA SER 3 21.034 -25.695 -7.456 11 HB2 SER 3 1HB SER 3 22.613 -27.471 -7.923 12 HB3 SER 3 2HB SER 3 23.467 -25.929 -7.970 13 HG SER 3 HG SER 3 24.515 -26.430 -6.169 14 H GLY 4 H GLY 4 20.201 -27.894 -7.177 15 HA2 GLY 4 1HA GLY 4 19.367 -29.660 -5.928 16 HA3 GLY 4 2HA GLY 4 20.304 -29.089 -4.555 17 H SER 5 H SER 5 17.260 -28.945 -6.217 18 HA SER 5 HA SER 5 16.151 -27.387 -3.973 19 HB2 SER 5 1HB SER 5 16.015 -26.152 -6.091 20 HB3 SER 5 2HB SER 5 15.166 -27.506 -6.836 21 HG SER 5 HG SER 5 14.269 -25.848 -4.718 22 H SER 6 H SER 6 15.200 -28.774 -2.628 23 HA SER 6 HA SER 6 13.966 -31.205 -3.600 24 HB2 SER 6 1HB SER 6 15.320 -30.956 -1.424 25 HB3 SER 6 2HB SER 6 13.871 -30.204 -0.758 26 HG SER 6 HG SER 6 13.899 -32.443 -0.350 27 H GLY 7 H GLY 7 11.773 -31.777 -2.505 28 HA2 GLY 7 1HA GLY 7 9.973 -29.460 -2.870 29 HA3 GLY 7 2HA GLY 7 9.574 -31.086 -3.406 30 H LYS 8 H LYS 8 10.792 -29.660 -0.371 31 HA LYS 8 HA LYS 8 8.734 -31.205 1.058 32 HB2 LYS 8 1HB LYS 8 10.213 -30.847 3.063 33 HB3 LYS 8 2HB LYS 8 10.910 -31.847 1.795 34 HG2 LYS 8 1HG LYS 8 12.290 -30.044 1.042 35 HG3 LYS 8 2HG LYS 8 11.492 -28.914 2.138 36 HD2 LYS 8 1HD LYS 8 13.369 -29.401 3.358 37 HD3 LYS 8 2HD LYS 8 12.279 -30.653 3.957 38 HE2 LYS 8 1HE LYS 8 13.238 -32.255 2.395 39 HE3 LYS 8 2HE LYS 8 14.294 -31.005 1.739 40 HZ1 LYS 8 1HZ LYS 8 15.721 -31.238 3.417 41 HZ2 LYS 8 2HZ LYS 8 14.934 -32.699 3.748 42 HZ3 LYS 8 3HZ LYS 8 14.503 -31.296 4.591 43 H GLU 9 H GLU 9 7.376 -30.216 2.507 44 HA GLU 9 HA GLU 9 7.707 -27.437 3.206 45 HB2 GLU 9 1HB GLU 9 5.751 -28.330 1.149 46 HB3 GLU 9 2HB GLU 9 5.214 -27.122 2.308 47 HG2 GLU 9 1HG GLU 9 7.421 -25.909 1.653 48 HG3 GLU 9 2HG GLU 9 7.329 -26.929 0.219 49 H ALA 10 H ALA 10 6.898 -27.082 5.175 50 HA ALA 10 HA ALA 10 4.494 -28.159 6.168 51 HB1 ALA 10 1HB ALA 10 5.516 -30.276 6.307 52 HB2 ALA 10 2HB ALA 10 7.007 -29.602 6.964 53 HB3 ALA 10 3HB ALA 10 5.543 -29.629 7.948 54 H LEU 11 H LEU 11 3.838 -26.636 7.526 55 HA LEU 11 HA LEU 11 5.395 -25.751 9.731 56 HB2 LEU 11 1HB LEU 11 6.581 -24.322 8.361 57 HB3 LEU 11 2HB LEU 11 5.203 -24.026 7.304 58 HG LEU 11 HG LEU 11 4.216 -22.771 9.345 59 HD11 LEU 11 1HD1 LEU 11 7.010 -23.279 10.177 60 HD12 LEU 11 2HD1 LEU 11 5.551 -23.092 11.148 61 HD13 LEU 11 3HD1 LEU 11 6.356 -21.670 10.483 62 HD21 LEU 11 1HD2 LEU 11 4.667 -21.476 7.483 63 HD22 LEU 11 2HD2 LEU 11 6.390 -21.856 7.507 64 HD23 LEU 11 3HD2 LEU 11 5.713 -20.751 8.703 65 H GLU 12 H GLU 12 4.208 -24.419 11.180 66 HA GLU 12 HA GLU 12 1.439 -23.820 10.478 67 HB2 GLU 12 1HB GLU 12 0.522 -24.964 12.394 68 HB3 GLU 12 2HB GLU 12 1.445 -26.112 11.433 69 HG2 GLU 12 1HG GLU 12 3.274 -26.030 12.980 70 HG3 GLU 12 2HG GLU 12 2.498 -24.736 13.891 71 H ALA 13 H ALA 13 0.768 -21.949 11.329 72 HA ALA 13 HA ALA 13 2.215 -20.853 13.644 73 HB1 ALA 13 1HB ALA 13 1.923 -19.681 10.947 74 HB2 ALA 13 2HB ALA 13 1.715 -18.585 12.312 75 HB3 ALA 13 3HB ALA 13 3.215 -19.496 12.134 76 H LEU 14 H LEU 14 0.953 -19.967 15.175 77 HA LEU 14 HA LEU 14 -1.930 -19.823 14.624 78 HB2 LEU 14 1HB LEU 14 -0.578 -19.858 17.313 79 HB3 LEU 14 2HB LEU 14 -2.291 -20.095 16.968 80 HG LEU 14 HG LEU 14 -0.300 -22.021 15.853 81 HD11 LEU 14 1HD1 LEU 14 0.049 -23.149 17.799 82 HD12 LEU 14 2HD1 LEU 14 -1.447 -22.574 18.534 83 HD13 LEU 14 3HD1 LEU 14 -0.046 -21.508 18.439 84 HD21 LEU 14 1HD2 LEU 14 -2.363 -23.493 16.599 85 HD22 LEU 14 2HD2 LEU 14 -2.374 -22.587 15.086 86 HD23 LEU 14 3HD2 LEU 14 -3.199 -21.943 16.506 87 H VAL 15 H VAL 15 0.796 -18.013 15.916 88 HA VAL 15 HA VAL 15 -0.894 -15.670 16.363 89 HB VAL 15 HB VAL 15 0.682 -16.145 18.128 90 HG11 VAL 15 1HG1 VAL 15 2.327 -17.401 16.850 91 HG12 VAL 15 2HG1 VAL 15 2.823 -15.930 16.012 92 HG13 VAL 15 3HG1 VAL 15 3.106 -16.097 17.745 93 HG21 VAL 15 1HG2 VAL 15 2.172 -13.974 17.801 94 HG22 VAL 15 2HG2 VAL 15 1.043 -13.705 16.473 95 HG23 VAL 15 3HG2 VAL 15 0.440 -13.878 18.122 96 HA PRO 16 HA PRO 16 0.161 -13.907 12.454 97 HB2 PRO 16 1HB PRO 16 -0.566 -11.347 12.992 98 HB3 PRO 16 2HB PRO 16 -1.738 -12.637 12.696 99 HG2 PRO 16 1HG PRO 16 -0.798 -11.491 15.297 100 HG3 PRO 16 2HG PRO 16 -2.443 -11.922 14.794 101 HD2 PRO 16 1HD PRO 16 -0.941 -13.519 16.382 102 HD3 PRO 16 2HD PRO 16 -2.124 -14.162 15.226 103 H VAL 17 H VAL 17 1.267 -11.728 11.725 104 HA VAL 17 HA VAL 17 3.429 -10.925 13.503 105 HB VAL 17 HB VAL 17 5.024 -11.254 11.459 106 HG11 VAL 17 1HG1 VAL 17 4.169 -13.621 13.119 107 HG12 VAL 17 2HG1 VAL 17 5.740 -13.381 12.353 108 HG13 VAL 17 3HG1 VAL 17 5.232 -12.328 13.673 109 HG21 VAL 17 1HG2 VAL 17 4.371 -12.550 9.763 110 HG22 VAL 17 2HG2 VAL 17 3.661 -13.748 10.846 111 HG23 VAL 17 3HG2 VAL 17 2.729 -12.329 10.370 112 H THR 18 H THR 18 4.520 -9.012 12.825 113 HA THR 18 HA THR 18 2.861 -7.346 11.081 114 HB THR 18 HB THR 18 5.074 -6.529 12.974 115 HG1 THR 18 1HG THR 18 3.385 -7.152 14.231 116 HG21 THR 18 1HG2 THR 18 5.002 -4.746 11.536 117 HG22 THR 18 2HG2 THR 18 3.704 -4.289 12.639 118 HG23 THR 18 3HG2 THR 18 3.322 -5.035 11.087 119 H ILE 19 H ILE 19 3.569 -6.479 9.208 120 HA ILE 19 HA ILE 19 6.348 -7.072 8.417 121 HB ILE 19 HB ILE 19 5.572 -7.183 6.091 122 HG12 ILE 19 1HG1 ILE 19 2.754 -7.139 7.167 123 HG13 ILE 19 2HG1 ILE 19 3.548 -5.695 6.547 124 HG21 ILE 19 1HG2 ILE 19 5.052 -9.062 8.155 125 HG22 ILE 19 2HG2 ILE 19 3.750 -9.167 6.972 126 HG23 ILE 19 3HG2 ILE 19 5.426 -9.365 6.459 127 HD11 ILE 19 1HD1 ILE 19 2.899 -6.250 4.514 128 HD12 ILE 19 2HD1 ILE 19 3.875 -7.717 4.612 129 HD13 ILE 19 3HD1 ILE 19 2.187 -7.744 5.125 130 H GLU 20 H GLU 20 6.923 -5.620 6.401 131 HA GLU 20 HA GLU 20 6.079 -2.860 6.988 132 HB2 GLU 20 1HB GLU 20 8.817 -4.017 6.746 133 HB3 GLU 20 2HB GLU 20 8.551 -2.386 6.146 134 HG2 GLU 20 1HG GLU 20 7.623 -1.793 8.381 135 HG3 GLU 20 2HG GLU 20 8.117 -3.387 8.947 136 H VAL 21 H VAL 21 5.298 -1.803 5.291 137 HA VAL 21 HA VAL 21 5.954 -2.804 2.597 138 HB VAL 21 HB VAL 21 3.451 -1.273 3.263 139 HG11 VAL 21 1HG1 VAL 21 4.612 -2.514 0.902 140 HG12 VAL 21 2HG1 VAL 21 2.952 -3.031 1.204 141 HG13 VAL 21 3HG1 VAL 21 3.326 -1.316 1.034 142 HG21 VAL 21 1HG2 VAL 21 2.941 -3.046 4.580 143 HG22 VAL 21 2HG2 VAL 21 2.522 -3.775 3.030 144 HG23 VAL 21 3HG2 VAL 21 4.085 -4.117 3.771 145 H GLU 22 H GLU 22 7.024 -1.453 1.318 146 HA GLU 22 HA GLU 22 7.657 1.198 2.153 147 HB2 GLU 22 1HB GLU 22 8.226 -0.405 -0.326 148 HB3 GLU 22 2HB GLU 22 8.661 1.296 -0.227 149 HG2 GLU 22 1HG GLU 22 10.293 0.935 1.333 150 HG3 GLU 22 2HG GLU 22 9.528 -0.525 1.957 151 H VAL 23 H VAL 23 6.126 2.720 2.140 152 HA VAL 23 HA VAL 23 4.803 3.318 -0.392 153 HB VAL 23 HB VAL 23 3.284 2.958 2.196 154 HG11 VAL 23 1HG1 VAL 23 1.847 3.487 -0.323 155 HG12 VAL 23 2HG1 VAL 23 1.506 4.037 1.319 156 HG13 VAL 23 3HG1 VAL 23 2.740 4.848 0.355 157 HG21 VAL 23 1HG2 VAL 23 3.415 0.820 1.394 158 HG22 VAL 23 2HG2 VAL 23 1.993 1.381 0.514 159 HG23 VAL 23 3HG2 VAL 23 3.566 1.340 -0.284 160 HA PRO 24 HA PRO 24 5.976 7.390 0.873 161 HB2 PRO 24 1HB PRO 24 4.608 8.757 -1.034 162 HB3 PRO 24 2HB PRO 24 6.103 7.874 -1.370 163 HG2 PRO 24 1HG PRO 24 3.266 7.044 -1.842 164 HG3 PRO 24 2HG PRO 24 4.677 6.855 -2.899 165 HD2 PRO 24 1HD PRO 24 3.709 4.830 -1.384 166 HD3 PRO 24 2HD PRO 24 5.435 4.997 -1.763 167 H PHE 25 H PHE 25 5.178 8.842 2.282 168 HA PHE 25 HA PHE 25 2.659 8.505 3.464 169 HB2 PHE 25 1HB PHE 25 4.594 9.549 4.599 170 HB3 PHE 25 2HB PHE 25 4.437 10.953 3.546 171 HD1 PHE 25 1HD PHE 25 2.320 12.317 3.665 172 HD2 PHE 25 2HD PHE 25 3.333 9.363 6.558 173 HE1 PHE 25 1HE PHE 25 0.736 13.332 5.252 174 HE2 PHE 25 2HE PHE 25 1.750 10.372 8.147 175 HZ PHE 25 HZ PHE 25 0.449 12.359 7.497 176 H ASP 26 H ASP 26 3.561 10.105 0.603 177 HA ASP 26 HA ASP 26 1.524 12.097 0.546 178 HB2 ASP 26 1HB ASP 26 3.348 10.893 -1.515 179 HB3 ASP 26 2HB ASP 26 2.049 11.980 -1.999 180 H LEU 27 H LEU 27 1.511 8.727 0.099 181 HA LEU 27 HA LEU 27 -0.979 8.803 -1.449 182 HB2 LEU 27 1HB LEU 27 0.951 6.588 -0.806 183 HB3 LEU 27 2HB LEU 27 -0.619 6.300 -1.552 184 HG LEU 27 HG LEU 27 1.628 7.930 -2.737 185 HD11 LEU 27 1HD1 LEU 27 1.032 5.106 -2.760 186 HD12 LEU 27 2HD1 LEU 27 2.437 5.967 -3.388 187 HD13 LEU 27 3HD1 LEU 27 0.995 5.784 -4.388 188 HD21 LEU 27 1HD2 LEU 27 0.047 7.580 -4.794 189 HD22 LEU 27 2HD2 LEU 27 -0.237 8.902 -3.662 190 HD23 LEU 27 3HD2 LEU 27 -1.196 7.425 -3.553 191 H HIS 28 H HIS 28 0.314 8.066 1.682 192 HA HIS 28 HA HIS 28 -1.481 6.378 2.829 193 HB2 HIS 28 1HB HIS 28 -0.264 8.883 4.001 194 HB3 HIS 28 2HB HIS 28 -1.147 7.696 4.956 195 HD2 HIS 28 2HD HIS 28 1.027 5.925 2.403 196 HE1 HIS 28 1HE HIS 28 3.289 6.100 5.988 197 HE2 HIS 28 2HE HIS 28 3.158 5.161 3.655 198 H ARG 29 H ARG 29 -1.892 9.918 2.661 199 HA ARG 29 HA ARG 29 -4.369 10.158 3.808 200 HB2 ARG 29 1HB ARG 29 -4.599 12.236 2.685 201 HB3 ARG 29 2HB ARG 29 -2.875 12.010 2.949 202 HG2 ARG 29 1HG ARG 29 -2.775 11.103 0.585 203 HG3 ARG 29 2HG ARG 29 -4.414 11.727 0.389 204 HD2 ARG 29 1HD ARG 29 -2.248 13.502 1.433 205 HD3 ARG 29 2HD ARG 29 -2.373 13.191 -0.298 206 HE ARG 29 HE ARG 29 -4.892 13.950 0.692 207 HH11 ARG 29 1HH1 ARG 29 -1.739 15.280 0.051 208 HH12 ARG 29 2HH1 ARG 29 -2.330 16.883 -0.235 209 HH21 ARG 29 1HH2 ARG 29 -5.683 16.057 0.318 210 HH22 ARG 29 2HH2 ARG 29 -4.573 17.324 -0.082 211 H TYR 30 H TYR 30 -3.578 9.013 0.593 212 HA TYR 30 HA TYR 30 -6.319 8.987 -0.297 213 HB2 TYR 30 1HB TYR 30 -3.816 7.798 -1.509 214 HB3 TYR 30 2HB TYR 30 -5.393 7.823 -2.290 215 HD1 TYR 30 2HD TYR 30 -6.271 10.582 -1.508 216 HD2 TYR 30 1HD TYR 30 -2.539 9.138 -2.954 217 HE1 TYR 30 2HE TYR 30 -5.777 12.805 -2.437 218 HE2 TYR 30 1HE TYR 30 -2.035 11.357 -3.887 219 HH TYR 30 HH TYR 30 -3.580 13.407 -4.697 220 H VAL 31 H VAL 31 -3.959 6.638 0.876 221 HA VAL 31 HA VAL 31 -5.502 4.321 0.409 222 HB VAL 31 HB VAL 31 -3.378 4.776 2.511 223 HG11 VAL 31 1HG1 VAL 31 -4.755 2.311 1.501 224 HG12 VAL 31 2HG1 VAL 31 -3.136 2.237 2.199 225 HG13 VAL 31 3HG1 VAL 31 -4.487 2.830 3.165 226 HG21 VAL 31 1HG2 VAL 31 -2.594 5.221 0.230 227 HG22 VAL 31 2HG2 VAL 31 -1.842 3.776 0.907 228 HG23 VAL 31 3HG2 VAL 31 -3.148 3.622 -0.267 229 H ILE 32 H ILE 32 -4.946 6.128 3.437 230 HA ILE 32 HA ILE 32 -6.601 4.728 5.120 231 HB ILE 32 HB ILE 32 -6.246 7.727 5.086 232 HG12 ILE 32 1HG1 ILE 32 -4.710 5.654 6.659 233 HG13 ILE 32 2HG1 ILE 32 -4.136 6.356 5.150 234 HG21 ILE 32 1HG2 ILE 32 -7.149 7.835 7.183 235 HG22 ILE 32 2HG2 ILE 32 -8.103 6.515 6.510 236 HG23 ILE 32 3HG2 ILE 32 -6.736 6.165 7.568 237 HD11 ILE 32 1HD1 ILE 32 -3.899 8.483 6.115 238 HD12 ILE 32 2HD1 ILE 32 -4.841 8.030 7.536 239 HD13 ILE 32 3HD1 ILE 32 -3.234 7.348 7.289 240 H GLY 33 H GLY 33 -7.498 7.323 2.876 241 HA2 GLY 33 1HA GLY 33 -9.580 7.369 1.733 242 HA3 GLY 33 2HA GLY 33 -10.268 6.373 3.006 243 H GLN 34 H GLN 34 -11.416 8.758 1.946 244 HA GLN 34 HA GLN 34 -11.077 11.137 3.126 245 HB2 GLN 34 1HB GLN 34 -13.477 11.496 3.053 246 HB3 GLN 34 2HB GLN 34 -12.967 10.585 1.638 247 HG2 GLN 34 1HG GLN 34 -13.727 8.516 2.717 248 HG3 GLN 34 2HG GLN 34 -14.280 9.458 4.100 249 HE21 GLN 34 1HE2 GLN 34 -15.143 8.124 1.174 250 HE22 GLN 34 2HE2 GLN 34 -16.624 8.976 0.916 251 H LYS 35 H LYS 35 -12.434 8.294 4.721 252 HA LYS 35 HA LYS 35 -12.097 9.681 7.298 253 HB2 LYS 35 1HB LYS 35 -14.515 9.277 6.497 254 HB3 LYS 35 2HB LYS 35 -14.201 7.580 6.836 255 HG2 LYS 35 1HG LYS 35 -13.563 8.292 9.172 256 HG3 LYS 35 2HG LYS 35 -14.223 9.879 8.769 257 HD2 LYS 35 1HD LYS 35 -16.017 8.804 9.786 258 HD3 LYS 35 2HD LYS 35 -16.335 8.568 8.066 259 HE2 LYS 35 1HE LYS 35 -16.679 6.445 8.871 260 HE3 LYS 35 2HE LYS 35 -14.976 6.362 8.424 261 HZ1 LYS 35 1HZ LYS 35 -16.204 6.389 11.074 262 HZ2 LYS 35 2HZ LYS 35 -14.712 7.165 10.907 263 HZ3 LYS 35 3HZ LYS 35 -14.861 5.526 10.514 264 H GLY 36 H GLY 36 -12.478 6.448 5.834 265 HA2 GLY 36 1HA GLY 36 -10.076 5.384 6.692 266 HA3 GLY 36 2HA GLY 36 -11.212 5.100 8.002 267 H SER 37 H SER 37 -13.454 4.868 6.041 268 HA SER 37 HA SER 37 -13.714 2.163 5.867 269 HB2 SER 37 1HB SER 37 -14.749 4.244 3.928 270 HB3 SER 37 2HB SER 37 -15.298 2.569 3.968 271 HG SER 37 HG SER 37 -16.080 2.907 6.042 272 H GLY 38 H GLY 38 -11.739 4.204 3.886 273 HA2 GLY 38 1HA GLY 38 -11.423 2.687 1.585 274 HA3 GLY 38 2HA GLY 38 -10.173 3.708 2.282 275 H ILE 39 H ILE 39 -9.109 2.656 4.297 276 HA ILE 39 HA ILE 39 -7.798 0.320 3.430 277 HB ILE 39 HB ILE 39 -7.886 1.676 6.119 278 HG12 ILE 39 1HG1 ILE 39 -5.729 1.470 4.005 279 HG13 ILE 39 2HG1 ILE 39 -6.751 2.875 4.286 280 HG21 ILE 39 1HG2 ILE 39 -7.059 -0.164 7.049 281 HG22 ILE 39 2HG2 ILE 39 -6.995 -0.982 5.489 282 HG23 ILE 39 3HG2 ILE 39 -5.639 0.015 6.018 283 HD11 ILE 39 1HD1 ILE 39 -5.800 2.903 6.636 284 HD12 ILE 39 2HD1 ILE 39 -4.601 1.752 6.045 285 HD13 ILE 39 3HD1 ILE 39 -4.712 3.358 5.325 286 H ARG 40 H ARG 40 -10.396 0.844 5.773 287 HA ARG 40 HA ARG 40 -10.620 -1.538 7.035 288 HB2 ARG 40 1HB ARG 40 -12.639 0.401 6.018 289 HB3 ARG 40 2HB ARG 40 -13.220 -1.154 6.600 290 HG2 ARG 40 1HG ARG 40 -13.186 0.729 8.274 291 HG3 ARG 40 2HG ARG 40 -12.395 -0.768 8.770 292 HD2 ARG 40 1HD ARG 40 -10.225 0.236 8.031 293 HD3 ARG 40 2HD ARG 40 -11.082 1.755 7.776 294 HE ARG 40 HE ARG 40 -11.438 0.683 10.412 295 HH11 ARG 40 1HH1 ARG 40 -9.362 2.591 8.370 296 HH12 ARG 40 2HH1 ARG 40 -8.653 3.467 9.687 297 HH21 ARG 40 1HH2 ARG 40 -10.513 1.829 12.154 298 HH22 ARG 40 2HH2 ARG 40 -9.308 3.031 11.839 299 H LYS 41 H LYS 41 -11.912 -0.843 3.794 300 HA LYS 41 HA LYS 41 -13.182 -3.117 3.119 301 HB2 LYS 41 1HB LYS 41 -12.728 -1.159 1.615 302 HB3 LYS 41 2HB LYS 41 -11.126 -1.824 1.321 303 HG2 LYS 41 1HG LYS 41 -11.983 -3.679 0.173 304 HG3 LYS 41 2HG LYS 41 -13.616 -3.406 0.783 305 HD2 LYS 41 1HD LYS 41 -13.699 -2.652 -1.429 306 HD3 LYS 41 2HD LYS 41 -13.508 -1.177 -0.479 307 HE2 LYS 41 1HE LYS 41 -11.134 -2.626 -1.603 308 HE3 LYS 41 2HE LYS 41 -12.054 -1.485 -2.583 309 HZ1 LYS 41 1HZ LYS 41 -10.345 -0.986 -0.259 310 HZ2 LYS 41 2HZ LYS 41 -11.681 0.025 -0.487 311 HZ3 LYS 41 3HZ LYS 41 -10.502 -0.101 -1.693 312 H MET 42 H MET 42 -9.657 -2.713 2.727 313 HA MET 42 HA MET 42 -9.106 -5.345 1.978 314 HB2 MET 42 1HB MET 42 -7.338 -3.404 3.477 315 HB3 MET 42 2HB MET 42 -6.784 -4.864 2.670 316 HG2 MET 42 1HG MET 42 -7.100 -3.987 0.566 317 HG3 MET 42 2HG MET 42 -8.285 -2.808 1.122 318 HE1 MET 42 1HE MET 42 -4.152 -2.811 0.256 319 HE2 MET 42 2HE MET 42 -3.881 -2.852 1.998 320 HE3 MET 42 3HE MET 42 -4.869 -4.096 1.229 321 H MET 43 H MET 43 -8.619 -3.874 5.196 322 HA MET 43 HA MET 43 -7.894 -6.065 6.637 323 HB2 MET 43 1HB MET 43 -9.759 -3.843 7.481 324 HB3 MET 43 2HB MET 43 -9.031 -4.993 8.594 325 HG2 MET 43 1HG MET 43 -6.806 -4.155 7.453 326 HG3 MET 43 2HG MET 43 -7.798 -2.738 7.115 327 HE1 MET 43 1HE MET 43 -8.628 -1.229 8.441 328 HE2 MET 43 2HE MET 43 -9.323 -1.716 9.987 329 HE3 MET 43 3HE MET 43 -7.868 -0.719 9.950 330 H ASP 44 H ASP 44 -11.019 -5.386 5.293 331 HA ASP 44 HA ASP 44 -12.304 -7.510 6.814 332 HB2 ASP 44 1HB ASP 44 -13.243 -5.375 4.943 333 HB3 ASP 44 2HB ASP 44 -14.251 -6.801 5.178 334 H GLU 45 H GLU 45 -10.949 -6.926 3.666 335 HA GLU 45 HA GLU 45 -12.114 -9.318 2.515 336 HB2 GLU 45 1HB GLU 45 -11.812 -7.385 1.078 337 HB3 GLU 45 2HB GLU 45 -10.092 -7.348 1.436 338 HG2 GLU 45 1HG GLU 45 -10.101 -8.364 -0.612 339 HG3 GLU 45 2HG GLU 45 -10.119 -9.763 0.462 340 H PHE 46 H PHE 46 -8.769 -8.167 2.994 341 HA PHE 46 HA PHE 46 -7.694 -10.806 2.691 342 HB2 PHE 46 1HB PHE 46 -6.424 -8.219 3.607 343 HB3 PHE 46 2HB PHE 46 -5.538 -9.715 3.330 344 HD1 PHE 46 1HD PHE 46 -5.578 -10.715 1.003 345 HD2 PHE 46 2HD PHE 46 -6.885 -6.755 1.853 346 HE1 PHE 46 1HE PHE 46 -5.327 -10.126 -1.373 347 HE2 PHE 46 2HE PHE 46 -6.638 -6.160 -0.521 348 HZ PHE 46 HZ PHE 46 -5.858 -7.846 -2.138 349 H GLU 47 H GLU 47 -9.151 -9.166 5.236 350 HA GLU 47 HA GLU 47 -9.397 -9.592 7.458 351 HB2 GLU 47 1HB GLU 47 -8.310 -12.280 6.610 352 HB3 GLU 47 2HB GLU 47 -8.973 -11.943 8.202 353 HG2 GLU 47 1HG GLU 47 -11.098 -11.245 7.013 354 HG3 GLU 47 2HG GLU 47 -10.401 -11.967 5.565 355 H VAL 48 H VAL 48 -7.302 -8.048 7.070 356 HA VAL 48 HA VAL 48 -5.312 -9.080 8.970 357 HB VAL 48 HB VAL 48 -3.623 -7.646 7.611 358 HG11 VAL 48 1HG1 VAL 48 -4.354 -10.375 7.580 359 HG12 VAL 48 2HG1 VAL 48 -3.952 -9.920 5.924 360 HG13 VAL 48 3HG1 VAL 48 -2.783 -9.662 7.220 361 HG21 VAL 48 1HG2 VAL 48 -4.041 -7.471 5.256 362 HG22 VAL 48 2HG2 VAL 48 -5.578 -8.321 5.417 363 HG23 VAL 48 3HG2 VAL 48 -5.382 -6.712 6.112 364 H ASN 49 H ASN 49 -3.791 -7.105 9.573 365 HA ASN 49 HA ASN 49 -5.547 -4.805 10.130 366 HB2 ASN 49 1HB ASN 49 -3.575 -6.232 11.896 367 HB3 ASN 49 2HB ASN 49 -4.026 -4.559 12.212 368 HD21 ASN 49 1HD2 ASN 49 -4.864 -5.326 14.221 369 HD22 ASN 49 2HD2 ASN 49 -6.428 -6.060 14.287 370 H ILE 50 H ILE 50 -4.887 -2.990 9.207 371 HA ILE 50 HA ILE 50 -2.037 -2.706 8.528 372 HB ILE 50 HB ILE 50 -4.462 -1.385 7.308 373 HG12 ILE 50 1HG1 ILE 50 -2.428 -3.241 6.060 374 HG13 ILE 50 2HG1 ILE 50 -3.980 -3.776 6.694 375 HG21 ILE 50 1HG2 ILE 50 -2.339 -0.809 5.675 376 HG22 ILE 50 2HG2 ILE 50 -3.069 0.299 6.836 377 HG23 ILE 50 3HG2 ILE 50 -1.642 -0.636 7.285 378 HD11 ILE 50 1HD1 ILE 50 -4.810 -3.409 4.677 379 HD12 ILE 50 2HD1 ILE 50 -4.603 -1.683 4.981 380 HD13 ILE 50 3HD1 ILE 50 -3.339 -2.591 4.152 381 H HIS 51 H HIS 51 -0.872 -1.027 9.286 382 HA HIS 51 HA HIS 51 -2.289 1.038 10.835 383 HB2 HIS 51 1HB HIS 51 0.031 -0.671 11.597 384 HB3 HIS 51 2HB HIS 51 0.012 0.996 12.166 385 HD1 HIS 51 1HD HIS 51 -1.474 1.526 14.124 386 HD2 HIS 51 2HD HIS 51 -2.184 -2.252 12.549 387 HE1 HIS 51 1HE HIS 51 -3.039 0.406 15.744 388 H VAL 52 H VAL 52 -1.952 3.010 10.070 389 HA VAL 52 HA VAL 52 0.388 3.487 8.362 390 HB VAL 52 HB VAL 52 -2.162 5.083 8.652 391 HG11 VAL 52 1HG1 VAL 52 0.221 6.130 7.964 392 HG12 VAL 52 2HG1 VAL 52 -0.337 5.568 6.387 393 HG13 VAL 52 3HG1 VAL 52 -1.319 6.699 7.319 394 HG21 VAL 52 1HG2 VAL 52 -2.346 2.873 7.501 395 HG22 VAL 52 2HG2 VAL 52 -2.752 4.257 6.485 396 HG23 VAL 52 3HG2 VAL 52 -1.189 3.460 6.305 397 HA PRO 53 HA PRO 53 2.249 5.893 11.573 398 HB2 PRO 53 1HB PRO 53 4.142 7.104 10.049 399 HB3 PRO 53 2HB PRO 53 4.249 5.412 10.549 400 HG2 PRO 53 1HG PRO 53 3.340 6.562 7.939 401 HG3 PRO 53 2HG PRO 53 4.386 5.163 8.241 402 HD2 PRO 53 1HD PRO 53 1.761 4.915 7.622 403 HD3 PRO 53 2HD PRO 53 2.604 3.769 8.686 404 H ALA 54 H ALA 54 1.792 7.830 12.427 405 HA ALA 54 HA ALA 54 0.094 9.665 11.145 406 HB1 ALA 54 1HB ALA 54 1.353 11.056 13.213 407 HB2 ALA 54 2HB ALA 54 -0.181 10.188 13.286 408 HB3 ALA 54 3HB ALA 54 1.317 9.372 13.735 409 HA PRO 55 HA PRO 55 2.671 12.501 9.006 410 HB2 PRO 55 1HB PRO 55 1.782 14.939 9.805 411 HB3 PRO 55 2HB PRO 55 0.849 13.876 8.746 412 HG2 PRO 55 1HG PRO 55 0.588 14.311 11.696 413 HG3 PRO 55 2HG PRO 55 -0.684 14.176 10.468 414 HD2 PRO 55 1HD PRO 55 -0.001 12.119 12.091 415 HD3 PRO 55 2HD PRO 55 -0.578 11.874 10.429 416 H GLU 56 H GLU 56 2.560 12.792 12.478 417 HA GLU 56 HA GLU 56 4.723 14.643 12.715 418 HB2 GLU 56 1HB GLU 56 4.652 14.133 15.091 419 HB3 GLU 56 2HB GLU 56 3.022 14.369 14.476 420 HG2 GLU 56 1HG GLU 56 3.015 11.790 14.227 421 HG3 GLU 56 2HG GLU 56 4.362 11.854 15.361 422 H LEU 57 H LEU 57 4.525 11.323 12.037 423 HA LEU 57 HA LEU 57 7.221 10.765 13.019 424 HB2 LEU 57 1HB LEU 57 5.270 8.920 11.650 425 HB3 LEU 57 2HB LEU 57 6.769 8.457 12.453 426 HG LEU 57 HG LEU 57 4.424 9.693 13.887 427 HD11 LEU 57 1HD1 LEU 57 3.388 7.734 13.931 428 HD12 LEU 57 2HD1 LEU 57 4.853 6.923 14.486 429 HD13 LEU 57 3HD1 LEU 57 4.560 7.131 12.759 430 HD21 LEU 57 1HD2 LEU 57 6.948 8.324 14.796 431 HD22 LEU 57 2HD2 LEU 57 5.580 8.664 15.856 432 HD23 LEU 57 3HD2 LEU 57 6.457 9.991 15.095 433 H GLN 58 H GLN 58 5.502 11.453 10.102 434 HA GLN 58 HA GLN 58 6.114 11.557 7.907 435 HB2 GLN 58 1HB GLN 58 8.868 12.120 9.003 436 HB3 GLN 58 2HB GLN 58 8.194 12.660 7.470 437 HG2 GLN 58 1HG GLN 58 6.670 14.131 8.590 438 HG3 GLN 58 2HG GLN 58 7.152 13.499 10.164 439 HE21 GLN 58 1HE2 GLN 58 8.811 14.414 11.192 440 HE22 GLN 58 2HE2 GLN 58 9.840 15.633 10.530 441 H SER 59 H SER 59 6.015 8.962 8.757 442 HA SER 59 HA SER 59 8.443 7.678 7.730 443 HB2 SER 59 1HB SER 59 7.187 7.045 9.960 444 HB3 SER 59 2HB SER 59 6.143 6.134 8.869 445 HG SER 59 HG SER 59 8.633 5.550 9.739 446 H ASP 60 H ASP 60 8.447 6.381 5.945 447 HA ASP 60 HA ASP 60 6.007 6.451 4.302 448 HB2 ASP 60 1HB ASP 60 8.858 6.000 3.395 449 HB3 ASP 60 2HB ASP 60 7.448 6.217 2.362 450 H ILE 61 H ILE 61 6.770 4.489 6.444 451 HA ILE 61 HA ILE 61 6.591 2.060 4.784 452 HB ILE 61 HB ILE 61 7.782 1.997 7.534 453 HG12 ILE 61 1HG1 ILE 61 8.986 3.693 6.074 454 HG13 ILE 61 2HG1 ILE 61 9.977 2.378 6.698 455 HG21 ILE 61 1HG2 ILE 61 9.063 0.113 6.173 456 HG22 ILE 61 2HG2 ILE 61 7.479 -0.165 6.895 457 HG23 ILE 61 3HG2 ILE 61 7.610 0.207 5.176 458 HD11 ILE 61 1HD1 ILE 61 10.641 2.581 4.488 459 HD12 ILE 61 2HD1 ILE 61 9.502 1.235 4.452 460 HD13 ILE 61 3HD1 ILE 61 8.994 2.836 3.913 461 H ILE 62 H ILE 62 4.690 1.102 5.001 462 HA ILE 62 HA ILE 62 3.044 1.647 7.343 463 HB ILE 62 HB ILE 62 2.467 0.368 4.683 464 HG12 ILE 62 1HG1 ILE 62 1.212 2.734 6.091 465 HG13 ILE 62 2HG1 ILE 62 2.501 2.858 4.898 466 HG21 ILE 62 1HG2 ILE 62 0.034 0.514 5.898 467 HG22 ILE 62 2HG2 ILE 62 1.001 -0.952 5.749 468 HG23 ILE 62 3HG2 ILE 62 1.069 0.002 7.230 469 HD11 ILE 62 1HD1 ILE 62 0.430 1.298 3.767 470 HD12 ILE 62 2HD1 ILE 62 -0.296 2.738 4.483 471 HD13 ILE 62 3HD1 ILE 62 0.992 2.900 3.290 472 H ALA 63 H ALA 63 2.453 0.161 8.841 473 HA ALA 63 HA ALA 63 3.823 -2.430 8.725 474 HB1 ALA 63 1HB ALA 63 2.521 -1.092 11.094 475 HB2 ALA 63 2HB ALA 63 3.532 -2.537 11.118 476 HB3 ALA 63 3HB ALA 63 4.234 -0.979 10.684 477 H ILE 64 H ILE 64 2.724 -4.233 8.340 478 HA ILE 64 HA ILE 64 -0.197 -4.205 8.739 479 HB ILE 64 HB ILE 64 1.239 -5.892 6.696 480 HG12 ILE 64 1HG1 ILE 64 -0.160 -3.242 6.269 481 HG13 ILE 64 2HG1 ILE 64 1.581 -3.495 6.197 482 HG21 ILE 64 1HG2 ILE 64 -1.094 -5.920 5.708 483 HG22 ILE 64 2HG2 ILE 64 -0.868 -6.811 7.212 484 HG23 ILE 64 3HG2 ILE 64 -1.642 -5.226 7.234 485 HD11 ILE 64 1HD1 ILE 64 0.770 -3.423 3.973 486 HD12 ILE 64 2HD1 ILE 64 1.172 -5.104 4.327 487 HD13 ILE 64 3HD1 ILE 64 -0.511 -4.578 4.335 488 H THR 65 H THR 65 -0.830 -5.510 10.310 489 HA THR 65 HA THR 65 0.885 -7.751 11.098 490 HB THR 65 HB THR 65 -1.492 -6.571 12.551 491 HG1 THR 65 1HG THR 65 0.282 -5.798 13.951 492 HG21 THR 65 1HG2 THR 65 -1.182 -8.092 14.206 493 HG22 THR 65 2HG2 THR 65 0.562 -8.164 13.959 494 HG23 THR 65 3HG2 THR 65 -0.519 -9.057 12.889 495 H GLY 66 H GLY 66 0.220 -9.855 11.068 496 HA2 GLY 66 1HA GLY 66 -2.229 -10.986 11.054 497 HA3 GLY 66 2HA GLY 66 -2.057 -10.460 9.386 498 H LEU 67 H LEU 67 -2.406 -13.007 9.504 499 HA LEU 67 HA LEU 67 -0.130 -14.603 10.053 500 HB2 LEU 67 1HB LEU 67 -2.617 -15.065 8.429 501 HB3 LEU 67 2HB LEU 67 -1.359 -16.289 8.600 502 HG LEU 67 HG LEU 67 -3.011 -15.114 10.836 503 HD11 LEU 67 1HD1 LEU 67 -4.352 -16.583 9.512 504 HD12 LEU 67 2HD1 LEU 67 -3.887 -17.443 10.979 505 HD13 LEU 67 3HD1 LEU 67 -3.069 -17.791 9.457 506 HD21 LEU 67 1HD2 LEU 67 -1.241 -15.708 12.077 507 HD22 LEU 67 2HD2 LEU 67 -0.542 -16.692 10.791 508 HD23 LEU 67 3HD2 LEU 67 -1.817 -17.354 11.815 509 H ALA 68 H ALA 68 1.544 -15.228 8.799 510 HA ALA 68 HA ALA 68 2.601 -13.758 6.807 511 HB1 ALA 68 1HB ALA 68 2.791 -16.762 6.784 512 HB2 ALA 68 2HB ALA 68 3.988 -15.595 6.220 513 HB3 ALA 68 3HB ALA 68 3.645 -15.742 7.944 514 H ALA 69 H ALA 69 -0.066 -15.953 6.500 515 HA ALA 69 HA ALA 69 0.023 -16.101 3.628 516 HB1 ALA 69 1HB ALA 69 -1.554 -17.684 3.827 517 HB2 ALA 69 2HB ALA 69 -1.140 -17.638 5.542 518 HB3 ALA 69 3HB ALA 69 -2.524 -16.722 4.944 519 H ASN 70 H ASN 70 -1.930 -14.364 6.030 520 HA ASN 70 HA ASN 70 -3.563 -13.045 4.109 521 HB2 ASN 70 1HB ASN 70 -3.031 -12.040 6.900 522 HB3 ASN 70 2HB ASN 70 -4.489 -11.852 5.931 523 HD21 ASN 70 1HD2 ASN 70 -4.980 -12.685 8.327 524 HD22 ASN 70 2HD2 ASN 70 -5.300 -14.382 8.398 525 H LEU 71 H LEU 71 -0.474 -12.367 5.564 526 HA LEU 71 HA LEU 71 -0.367 -9.602 4.911 527 HB2 LEU 71 1HB LEU 71 1.981 -11.448 5.259 528 HB3 LEU 71 2HB LEU 71 1.934 -9.704 5.504 529 HG LEU 71 HG LEU 71 0.314 -11.567 7.213 530 HD11 LEU 71 1HD1 LEU 71 3.014 -11.813 7.054 531 HD12 LEU 71 2HD1 LEU 71 2.055 -12.160 8.494 532 HD13 LEU 71 3HD1 LEU 71 2.849 -10.595 8.318 533 HD21 LEU 71 1HD2 LEU 71 -0.276 -9.705 8.266 534 HD22 LEU 71 2HD2 LEU 71 0.535 -8.783 6.999 535 HD23 LEU 71 3HD2 LEU 71 1.408 -9.224 8.467 536 H ASP 72 H ASP 72 0.518 -12.552 3.233 537 HA ASP 72 HA ASP 72 2.001 -11.359 1.143 538 HB2 ASP 72 1HB ASP 72 0.660 -13.997 1.555 539 HB3 ASP 72 2HB ASP 72 1.178 -13.560 -0.072 540 H ARG 73 H ARG 73 -1.341 -12.614 1.129 541 HA ARG 73 HA ARG 73 -2.034 -11.642 -1.396 542 HB2 ARG 73 1HB ARG 73 -4.415 -11.788 -0.499 543 HB3 ARG 73 2HB ARG 73 -3.458 -13.264 -0.447 544 HG2 ARG 73 1HG ARG 73 -3.039 -12.961 1.908 545 HG3 ARG 73 2HG ARG 73 -3.874 -11.406 1.885 546 HD2 ARG 73 1HD ARG 73 -5.532 -12.782 2.680 547 HD3 ARG 73 2HD ARG 73 -5.861 -12.824 0.948 548 HE ARG 73 HE ARG 73 -4.126 -14.920 1.513 549 HH11 ARG 73 1HH1 ARG 73 -7.369 -13.939 2.310 550 HH12 ARG 73 2HH1 ARG 73 -7.951 -15.558 2.508 551 HH21 ARG 73 1HH2 ARG 73 -4.879 -17.058 1.772 552 HH22 ARG 73 2HH2 ARG 73 -6.533 -17.332 2.204 553 H ALA 74 H ALA 74 -2.392 -10.166 1.806 554 HA ALA 74 HA ALA 74 -3.737 -7.839 0.925 555 HB1 ALA 74 1HB ALA 74 -3.548 -7.063 3.093 556 HB2 ALA 74 2HB ALA 74 -3.465 -8.811 3.314 557 HB3 ALA 74 3HB ALA 74 -1.989 -7.847 3.349 558 H LYS 75 H LYS 75 -0.337 -8.275 1.924 559 HA LYS 75 HA LYS 75 0.594 -5.757 1.255 560 HB2 LYS 75 1HB LYS 75 1.868 -7.511 2.495 561 HB3 LYS 75 2HB LYS 75 2.132 -8.345 0.968 562 HG2 LYS 75 1HG LYS 75 3.235 -6.227 0.147 563 HG3 LYS 75 2HG LYS 75 3.184 -5.663 1.819 564 HD2 LYS 75 1HD LYS 75 4.702 -7.250 2.539 565 HD3 LYS 75 2HD LYS 75 4.347 -8.345 1.201 566 HE2 LYS 75 1HE LYS 75 5.711 -7.218 -0.262 567 HE3 LYS 75 2HE LYS 75 5.550 -5.688 0.598 568 HZ1 LYS 75 1HZ LYS 75 7.766 -6.751 0.803 569 HZ2 LYS 75 2HZ LYS 75 7.046 -8.021 1.655 570 HZ3 LYS 75 3HZ LYS 75 7.016 -6.453 2.289 571 H ALA 76 H ALA 76 0.053 -8.554 -0.800 572 HA ALA 76 HA ALA 76 1.392 -7.605 -3.095 573 HB1 ALA 76 1HB ALA 76 0.246 -9.329 -4.297 574 HB2 ALA 76 2HB ALA 76 0.687 -9.962 -2.711 575 HB3 ALA 76 3HB ALA 76 -0.975 -9.467 -3.032 576 H GLY 77 H GLY 77 -1.786 -6.995 -1.779 577 HA2 GLY 77 1HA GLY 77 -2.841 -5.813 -4.179 578 HA3 GLY 77 2HA GLY 77 -3.573 -5.766 -2.582 579 H LEU 78 H LEU 78 -1.441 -4.575 -1.173 580 HA LEU 78 HA LEU 78 -1.958 -1.851 -1.666 581 HB2 LEU 78 1HB LEU 78 -1.208 -3.024 0.496 582 HB3 LEU 78 2HB LEU 78 0.425 -2.848 -0.141 583 HG LEU 78 HG LEU 78 0.259 -0.456 -0.076 584 HD11 LEU 78 1HD1 LEU 78 -2.604 -1.026 0.138 585 HD12 LEU 78 2HD1 LEU 78 -1.769 0.379 -0.523 586 HD13 LEU 78 3HD1 LEU 78 -2.032 0.248 1.215 587 HD21 LEU 78 1HD2 LEU 78 0.914 -1.517 1.996 588 HD22 LEU 78 2HD2 LEU 78 -0.775 -1.712 2.465 589 HD23 LEU 78 3HD2 LEU 78 -0.075 -0.098 2.340 590 H LEU 79 H LEU 79 1.105 -3.652 -2.013 591 HA LEU 79 HA LEU 79 2.714 -1.770 -3.107 592 HB2 LEU 79 1HB LEU 79 2.437 -4.667 -3.863 593 HB3 LEU 79 2HB LEU 79 3.730 -3.639 -4.474 594 HG LEU 79 HG LEU 79 3.275 -4.135 -1.539 595 HD11 LEU 79 1HD1 LEU 79 4.238 -5.959 -3.504 596 HD12 LEU 79 2HD1 LEU 79 4.112 -6.172 -1.758 597 HD13 LEU 79 3HD1 LEU 79 5.576 -5.482 -2.459 598 HD21 LEU 79 1HD2 LEU 79 5.626 -3.398 -1.392 599 HD22 LEU 79 2HD2 LEU 79 4.556 -2.148 -2.027 600 HD23 LEU 79 3HD2 LEU 79 5.603 -3.053 -3.122 601 H GLU 80 H GLU 80 0.406 -3.770 -4.932 602 HA GLU 80 HA GLU 80 0.934 -2.515 -7.427 603 HB2 GLU 80 1HB GLU 80 -1.428 -4.154 -6.496 604 HB3 GLU 80 2HB GLU 80 -1.166 -3.647 -8.158 605 HG2 GLU 80 1HG GLU 80 0.811 -4.966 -8.328 606 HG3 GLU 80 2HG GLU 80 0.783 -5.325 -6.603 607 H ARG 81 H ARG 81 -1.117 -1.768 -4.739 608 HA ARG 81 HA ARG 81 -2.876 -0.007 -6.156 609 HB2 ARG 81 1HB ARG 81 -3.150 -1.235 -3.830 610 HB3 ARG 81 2HB ARG 81 -2.425 0.245 -3.215 611 HG2 ARG 81 1HG ARG 81 -4.726 0.599 -3.062 612 HG3 ARG 81 2HG ARG 81 -4.238 1.475 -4.514 613 HD2 ARG 81 1HD ARG 81 -4.950 -0.457 -5.878 614 HD3 ARG 81 2HD ARG 81 -5.500 -1.262 -4.409 615 HE ARG 81 HE ARG 81 -6.700 1.291 -4.654 616 HH11 ARG 81 1HH1 ARG 81 -6.814 -1.934 -5.960 617 HH12 ARG 81 2HH1 ARG 81 -8.484 -1.832 -6.412 618 HH21 ARG 81 1HH2 ARG 81 -8.898 1.437 -5.243 619 HH22 ARG 81 2HH2 ARG 81 -9.668 0.087 -6.005 620 H VAL 82 H VAL 82 0.151 0.322 -4.428 621 HA VAL 82 HA VAL 82 0.120 3.168 -4.268 622 HB VAL 82 HB VAL 82 2.462 1.263 -4.144 623 HG11 VAL 82 1HG1 VAL 82 3.836 2.991 -3.750 624 HG12 VAL 82 2HG1 VAL 82 2.584 3.961 -4.527 625 HG13 VAL 82 3HG1 VAL 82 2.643 3.841 -2.768 626 HG21 VAL 82 1HG2 VAL 82 2.189 1.938 -1.633 627 HG22 VAL 82 2HG2 VAL 82 0.526 2.282 -2.113 628 HG23 VAL 82 3HG2 VAL 82 1.187 0.661 -2.323 629 H LYS 83 H LYS 83 1.465 0.835 -6.553 630 HA LYS 83 HA LYS 83 2.848 2.750 -8.136 631 HB2 LYS 83 1HB LYS 83 1.900 -0.051 -8.758 632 HB3 LYS 83 2HB LYS 83 2.909 0.905 -9.835 633 HG2 LYS 83 1HG LYS 83 4.747 0.787 -8.431 634 HG3 LYS 83 2HG LYS 83 3.765 0.391 -7.018 635 HD2 LYS 83 1HD LYS 83 3.181 -1.766 -8.313 636 HD3 LYS 83 2HD LYS 83 4.590 -1.371 -9.301 637 HE2 LYS 83 1HE LYS 83 5.843 -1.164 -7.069 638 HE3 LYS 83 2HE LYS 83 4.464 -2.011 -6.370 639 HZ1 LYS 83 1HZ LYS 83 5.756 -3.152 -8.742 640 HZ2 LYS 83 2HZ LYS 83 4.970 -3.932 -7.464 641 HZ3 LYS 83 3HZ LYS 83 6.531 -3.315 -7.247 642 H GLU 84 H GLU 84 -0.411 1.481 -8.130 643 HA GLU 84 HA GLU 84 -1.081 2.646 -10.686 644 HB2 GLU 84 1HB GLU 84 -2.128 0.544 -9.846 645 HB3 GLU 84 2HB GLU 84 -2.917 1.483 -8.587 646 HG2 GLU 84 1HG GLU 84 -4.341 2.531 -10.071 647 HG3 GLU 84 2HG GLU 84 -3.293 2.221 -11.454 648 H LEU 85 H LEU 85 -2.150 3.190 -7.327 649 HA LEU 85 HA LEU 85 -3.750 5.381 -7.683 650 HB2 LEU 85 1HB LEU 85 -1.857 4.700 -5.451 651 HB3 LEU 85 2HB LEU 85 -2.937 6.091 -5.379 652 HG LEU 85 HG LEU 85 -3.988 3.314 -5.822 653 HD11 LEU 85 1HD1 LEU 85 -3.502 4.662 -3.169 654 HD12 LEU 85 2HD1 LEU 85 -2.645 3.250 -3.786 655 HD13 LEU 85 3HD1 LEU 85 -4.367 3.145 -3.420 656 HD21 LEU 85 1HD2 LEU 85 -5.088 5.995 -5.217 657 HD22 LEU 85 2HD2 LEU 85 -5.858 4.617 -4.430 658 HD23 LEU 85 3HD2 LEU 85 -5.757 4.684 -6.190 659 H GLN 86 H GLN 86 -0.236 5.436 -7.104 660 HA GLN 86 HA GLN 86 0.107 8.202 -7.258 661 HB2 GLN 86 1HB GLN 86 2.433 7.778 -7.495 662 HB3 GLN 86 2HB GLN 86 1.796 6.494 -6.476 663 HG2 GLN 86 1HG GLN 86 1.863 4.931 -8.264 664 HG3 GLN 86 2HG GLN 86 2.228 6.198 -9.434 665 HE21 GLN 86 1HE2 GLN 86 3.545 5.302 -6.261 666 HE22 GLN 86 2HE2 GLN 86 5.190 5.204 -6.781 667 H ALA 87 H ALA 87 -0.184 5.786 -9.765 668 HA ALA 87 HA ALA 87 0.814 7.252 -11.935 669 HB1 ALA 87 1HB ALA 87 -1.485 5.424 -12.373 670 HB2 ALA 87 2HB ALA 87 0.038 5.563 -13.253 671 HB3 ALA 87 3HB ALA 87 -0.006 4.747 -11.689 672 H GLU 88 H GLU 88 -1.966 7.749 -10.055 673 HA GLU 88 HA GLU 88 -3.623 8.931 -12.065 674 HB2 GLU 88 1HB GLU 88 -3.709 9.108 -9.049 675 HB3 GLU 88 2HB GLU 88 -4.942 9.766 -10.116 676 HG2 GLU 88 1HG GLU 88 -4.189 6.872 -9.794 677 HG3 GLU 88 2HG GLU 88 -5.675 7.652 -9.256 678 H GLN 89 H GLN 89 -2.159 10.458 -9.194 679 HA GLN 89 HA GLN 89 -2.330 13.066 -10.306 680 HB2 GLN 89 1HB GLN 89 -1.135 13.798 -8.334 681 HB3 GLN 89 2HB GLN 89 -2.347 12.611 -7.872 682 HG2 GLN 89 1HG GLN 89 0.402 11.647 -8.430 683 HG3 GLN 89 2HG GLN 89 0.118 12.538 -6.937 684 HE21 GLN 89 1HE2 GLN 89 0.686 10.560 -5.863 685 HE22 GLN 89 2HE2 GLN 89 -0.497 9.315 -5.668 686 H GLU 90 H GLU 90 -0.017 10.537 -10.534 687 HA GLU 90 HA GLU 90 2.188 12.252 -11.267 688 HB2 GLU 90 1HB GLU 90 1.875 9.249 -11.410 689 HB3 GLU 90 2HB GLU 90 3.364 10.121 -11.743 690 HG2 GLU 90 1HG GLU 90 2.013 10.528 -9.124 691 HG3 GLU 90 2HG GLU 90 2.923 9.043 -9.402 692 H ASP 91 H ASP 91 -0.375 10.552 -12.854 693 HA ASP 91 HA ASP 91 0.674 10.257 -15.420 694 HB2 ASP 91 1HB ASP 91 -1.346 9.190 -15.248 695 HB3 ASP 91 2HB ASP 91 -2.059 10.469 -14.269 696 H ARG 92 H ARG 92 -1.361 12.919 -14.194 697 HA ARG 92 HA ARG 92 -1.127 14.534 -16.478 698 HB2 ARG 92 1HB ARG 92 -1.984 16.338 -15.092 699 HB3 ARG 92 2HB ARG 92 -2.854 14.849 -14.748 700 HG2 ARG 92 1HG ARG 92 -1.161 14.583 -12.814 701 HG3 ARG 92 2HG ARG 92 -0.865 16.305 -13.059 702 HD2 ARG 92 1HD ARG 92 -3.677 15.349 -12.830 703 HD3 ARG 92 2HD ARG 92 -2.697 15.457 -11.368 704 HE ARG 92 HE ARG 92 -3.862 17.615 -12.788 705 HH11 ARG 92 1HH1 ARG 92 -1.017 16.713 -10.996 706 HH12 ARG 92 2HH1 ARG 92 -0.662 18.332 -10.491 707 HH21 ARG 92 1HH2 ARG 92 -3.405 19.752 -12.131 708 HH22 ARG 92 2HH2 ARG 92 -2.021 20.059 -11.138 709 H ALA 93 H ALA 93 0.732 14.484 -13.458 710 HA ALA 93 HA ALA 93 2.351 16.698 -13.900 711 HB1 ALA 93 1HB ALA 93 2.439 14.322 -12.200 712 HB2 ALA 93 2HB ALA 93 4.027 14.987 -12.586 713 HB3 ALA 93 3HB ALA 93 2.806 16.005 -11.821 714 H LEU 94 H LEU 94 2.488 13.507 -15.289 715 HA LEU 94 HA LEU 94 5.145 13.841 -16.363 716 HB2 LEU 94 1HB LEU 94 4.407 11.629 -15.762 717 HB3 LEU 94 2HB LEU 94 3.016 11.762 -16.834 718 HG LEU 94 HG LEU 94 4.463 11.697 -18.775 719 HD11 LEU 94 1HD1 LEU 94 6.947 10.981 -18.065 720 HD12 LEU 94 2HD1 LEU 94 6.563 12.076 -16.737 721 HD13 LEU 94 3HD1 LEU 94 6.477 12.647 -18.403 722 HD21 LEU 94 1HD2 LEU 94 3.836 9.545 -18.253 723 HD22 LEU 94 2HD2 LEU 94 4.700 9.550 -16.714 724 HD23 LEU 94 3HD2 LEU 94 5.595 9.407 -18.228 725 H ARG 95 H ARG 95 2.040 13.175 -17.989 726 HA ARG 95 HA ARG 95 1.112 14.027 -19.890 727 HB2 ARG 95 1HB ARG 95 2.068 16.221 -18.788 728 HB3 ARG 95 2HB ARG 95 3.221 16.134 -20.113 729 HG2 ARG 95 1HG ARG 95 1.638 16.561 -21.707 730 HG3 ARG 95 2HG ARG 95 0.322 15.901 -20.732 731 HD2 ARG 95 1HD ARG 95 0.219 17.831 -19.384 732 HD3 ARG 95 2HD ARG 95 1.773 18.419 -19.970 733 HE ARG 95 HE ARG 95 -0.254 18.172 -22.005 734 HH11 ARG 95 1HH1 ARG 95 1.189 20.235 -19.599 735 HH12 ARG 95 2HH1 ARG 95 0.661 21.702 -20.352 736 HH21 ARG 95 1HH2 ARG 95 -0.955 20.098 -23.006 737 HH22 ARG 95 2HH2 ARG 95 -0.559 21.624 -22.289 738 H SER 96 H SER 96 2.984 11.944 -20.024 739 HA SER 96 HA SER 96 4.193 12.455 -22.661 740 HB2 SER 96 1HB SER 96 5.880 12.244 -20.796 741 HB3 SER 96 2HB SER 96 5.330 10.581 -20.579 742 HG SER 96 HG SER 96 7.120 10.627 -21.951 743 H PHE 97 H PHE 97 3.482 11.170 -24.226 744 HA PHE 97 HA PHE 97 1.415 9.487 -24.204 745 HB2 PHE 97 1HB PHE 97 2.069 8.721 -26.279 746 HB3 PHE 97 2HB PHE 97 3.087 10.150 -26.132 747 HD1 PHE 97 1HD PHE 97 5.457 9.787 -25.184 748 HD2 PHE 97 2HD PHE 97 3.018 6.664 -26.736 749 HE1 PHE 97 1HE PHE 97 7.459 8.398 -25.523 750 HE2 PHE 97 2HE PHE 97 5.016 5.268 -27.076 751 HZ PHE 97 HZ PHE 97 7.240 6.134 -26.470 752 H LYS 98 H LYS 98 0.854 7.712 -23.150 753 HA LYS 98 HA LYS 98 2.947 5.783 -22.403 754 HB2 LYS 98 1HB LYS 98 2.114 7.262 -20.486 755 HB3 LYS 98 2HB LYS 98 0.586 6.403 -20.635 756 HG2 LYS 98 1HG LYS 98 1.747 5.316 -18.917 757 HG3 LYS 98 2HG LYS 98 1.923 4.270 -20.328 758 HD2 LYS 98 1HD LYS 98 4.122 5.636 -20.699 759 HD3 LYS 98 2HD LYS 98 3.950 6.006 -18.982 760 HE2 LYS 98 1HE LYS 98 3.873 3.608 -18.483 761 HE3 LYS 98 2HE LYS 98 4.052 3.246 -20.199 762 HZ1 LYS 98 1HZ LYS 98 6.187 4.579 -20.046 763 HZ2 LYS 98 2HZ LYS 98 6.186 3.056 -19.311 764 HZ3 LYS 98 3HZ LYS 98 6.035 4.451 -18.366 765 H SER 99 H SER 99 2.484 4.239 -23.892 766 HA SER 99 HA SER 99 -0.135 3.506 -24.682 767 HB2 SER 99 1HB SER 99 0.876 1.876 -26.023 768 HB3 SER 99 2HB SER 99 2.131 3.108 -25.891 769 HG SER 99 HG SER 99 3.209 1.323 -25.369 770 H GLY 100 H GLY 100 -1.545 2.070 -23.864 771 HA2 GLY 100 1HA GLY 100 -1.127 -0.257 -22.519 772 HA3 GLY 100 2HA GLY 100 -1.020 0.962 -21.258 773 HA PRO 101 HA PRO 101 -5.379 0.755 -20.799 774 HB2 PRO 101 1HB PRO 101 -5.866 3.224 -19.778 775 HB3 PRO 101 2HB PRO 101 -5.091 1.936 -18.849 776 HG2 PRO 101 1HG PRO 101 -3.846 4.251 -20.279 777 HG3 PRO 101 2HG PRO 101 -3.468 3.592 -18.676 778 HD2 PRO 101 1HD PRO 101 -1.976 3.039 -20.867 779 HD3 PRO 101 2HD PRO 101 -2.195 1.877 -19.543 780 H SER 102 H SER 102 -3.892 2.568 -23.133 781 HA SER 102 HA SER 102 -4.576 3.772 -24.945 782 HB2 SER 102 1HB SER 102 -6.799 1.810 -24.491 783 HB3 SER 102 2HB SER 102 -6.946 3.015 -25.769 784 HG SER 102 HG SER 102 -4.734 1.262 -25.487 785 H SER 103 H SER 103 -4.948 5.081 -22.474 786 HA SER 103 HA SER 103 -7.343 6.696 -23.065 787 HB2 SER 103 1HB SER 103 -6.190 5.908 -20.386 788 HB3 SER 103 2HB SER 103 -7.361 7.213 -20.578 789 HG SER 103 HG SER 103 -7.929 4.706 -21.693 790 H GLY 104 H GLY 104 -7.194 8.963 -22.440 791 HA2 GLY 104 1HA GLY 104 -5.991 10.921 -21.918 792 HA3 GLY 104 2HA GLY 104 -4.497 10.002 -22.016 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -5.123 -11.164 -18.782 2 HA2 GLY 1 1HA GLY 1 -3.320 -12.708 -20.265 3 HA3 GLY 1 2HA GLY 1 -2.417 -11.930 -18.973 4 H SER 2 H SER 2 -3.443 -14.783 -19.647 5 HA SER 2 HA SER 2 -4.953 -15.377 -17.230 6 HB2 SER 2 1HB SER 2 -5.485 -16.429 -19.469 7 HB3 SER 2 2HB SER 2 -3.978 -17.332 -19.320 8 HG SER 2 HG SER 2 -5.570 -18.618 -18.492 9 H SER 3 H SER 3 -3.825 -15.554 -15.410 10 HA SER 3 HA SER 3 -1.104 -15.939 -15.137 11 HB2 SER 3 1HB SER 3 -1.546 -16.484 -12.798 12 HB3 SER 3 2HB SER 3 -2.599 -15.169 -13.318 13 HG SER 3 HG SER 3 -3.538 -17.790 -13.561 14 H GLY 4 H GLY 4 -0.243 -17.916 -13.744 15 HA2 GLY 4 1HA GLY 4 -1.293 -20.490 -14.372 16 HA3 GLY 4 2HA GLY 4 0.042 -20.079 -15.440 17 H SER 5 H SER 5 -0.582 -19.604 -11.961 18 HA SER 5 HA SER 5 1.881 -21.112 -11.403 19 HB2 SER 5 1HB SER 5 2.398 -19.456 -9.596 20 HB3 SER 5 2HB SER 5 2.498 -18.783 -11.223 21 HG SER 5 HG SER 5 0.059 -18.604 -9.873 22 H SER 6 H SER 6 1.937 -22.213 -9.426 23 HA SER 6 HA SER 6 -0.704 -22.811 -8.347 24 HB2 SER 6 1HB SER 6 0.250 -24.795 -7.453 25 HB3 SER 6 2HB SER 6 0.972 -24.602 -9.049 26 HG SER 6 HG SER 6 2.838 -23.848 -8.098 27 H GLY 7 H GLY 7 2.427 -21.558 -7.309 28 HA2 GLY 7 1HA GLY 7 3.037 -20.370 -5.442 29 HA3 GLY 7 2HA GLY 7 1.333 -19.989 -5.246 30 H LYS 8 H LYS 8 3.921 -21.396 -3.787 31 HA LYS 8 HA LYS 8 2.186 -22.786 -1.888 32 HB2 LYS 8 1HB LYS 8 3.752 -24.700 -1.775 33 HB3 LYS 8 2HB LYS 8 2.964 -24.561 -3.341 34 HG2 LYS 8 1HG LYS 8 5.128 -23.209 -3.953 35 HG3 LYS 8 2HG LYS 8 5.809 -24.114 -2.600 36 HD2 LYS 8 1HD LYS 8 5.051 -26.210 -3.672 37 HD3 LYS 8 2HD LYS 8 4.480 -25.268 -5.051 38 HE2 LYS 8 1HE LYS 8 6.641 -24.683 -5.697 39 HE3 LYS 8 2HE LYS 8 7.319 -25.058 -4.114 40 HZ1 LYS 8 1HZ LYS 8 6.820 -27.422 -4.568 41 HZ2 LYS 8 2HZ LYS 8 7.945 -26.761 -5.643 42 HZ3 LYS 8 3HZ LYS 8 6.346 -27.000 -6.136 43 H GLU 9 H GLU 9 3.298 -23.256 0.174 44 HA GLU 9 HA GLU 9 5.796 -21.963 0.735 45 HB2 GLU 9 1HB GLU 9 4.973 -20.282 2.271 46 HB3 GLU 9 2HB GLU 9 4.264 -20.023 0.683 47 HG2 GLU 9 1HG GLU 9 2.180 -20.955 1.384 48 HG3 GLU 9 2HG GLU 9 2.870 -21.459 2.926 49 H ALA 10 H ALA 10 6.491 -22.277 2.948 50 HA ALA 10 HA ALA 10 4.973 -24.375 4.357 51 HB1 ALA 10 1HB ALA 10 6.767 -25.543 3.398 52 HB2 ALA 10 2HB ALA 10 7.915 -24.254 3.765 53 HB3 ALA 10 3HB ALA 10 7.260 -25.248 5.066 54 H LEU 11 H LEU 11 4.098 -23.043 5.905 55 HA LEU 11 HA LEU 11 5.751 -22.370 8.114 56 HB2 LEU 11 1HB LEU 11 6.373 -20.460 6.841 57 HB3 LEU 11 2HB LEU 11 4.700 -20.141 6.388 58 HG LEU 11 HG LEU 11 5.576 -19.992 9.252 59 HD11 LEU 11 1HD1 LEU 11 5.683 -17.453 8.696 60 HD12 LEU 11 2HD1 LEU 11 6.044 -18.015 7.064 61 HD13 LEU 11 3HD1 LEU 11 7.090 -18.476 8.406 62 HD21 LEU 11 1HD2 LEU 11 3.337 -19.750 9.338 63 HD22 LEU 11 2HD2 LEU 11 3.215 -19.267 7.646 64 HD23 LEU 11 3HD2 LEU 11 3.706 -18.091 8.866 65 H GLU 12 H GLU 12 4.541 -22.677 9.859 66 HA GLU 12 HA GLU 12 1.666 -22.064 9.712 67 HB2 GLU 12 1HB GLU 12 1.818 -24.448 9.534 68 HB3 GLU 12 2HB GLU 12 2.977 -24.532 10.853 69 HG2 GLU 12 1HG GLU 12 1.101 -25.173 11.955 70 HG3 GLU 12 2HG GLU 12 1.003 -23.431 12.204 71 H ALA 13 H ALA 13 1.184 -20.544 11.138 72 HA ALA 13 HA ALA 13 2.230 -20.715 13.850 73 HB1 ALA 13 1HB ALA 13 3.312 -18.698 13.923 74 HB2 ALA 13 2HB ALA 13 3.683 -19.198 12.273 75 HB3 ALA 13 3HB ALA 13 2.395 -18.031 12.572 76 H LEU 14 H LEU 14 0.532 -20.562 15.147 77 HA LEU 14 HA LEU 14 -2.022 -19.733 14.318 78 HB2 LEU 14 1HB LEU 14 -0.958 -19.924 17.132 79 HB3 LEU 14 2HB LEU 14 -2.655 -19.910 16.656 80 HG LEU 14 HG LEU 14 -1.879 -22.062 15.291 81 HD11 LEU 14 1HD1 LEU 14 0.308 -21.514 17.120 82 HD12 LEU 14 2HD1 LEU 14 0.216 -22.641 15.767 83 HD13 LEU 14 3HD1 LEU 14 -0.387 -23.117 17.355 84 HD21 LEU 14 1HD2 LEU 14 -3.481 -21.591 17.401 85 HD22 LEU 14 2HD2 LEU 14 -2.263 -22.614 18.163 86 HD23 LEU 14 3HD2 LEU 14 -3.157 -23.202 16.761 87 H VAL 15 H VAL 15 0.663 -17.992 15.659 88 HA VAL 15 HA VAL 15 -0.986 -15.617 16.120 89 HB VAL 15 HB VAL 15 0.559 -16.150 17.907 90 HG11 VAL 15 1HG1 VAL 15 2.204 -17.391 16.578 91 HG12 VAL 15 2HG1 VAL 15 2.751 -15.878 15.851 92 HG13 VAL 15 3HG1 VAL 15 2.971 -16.157 17.579 93 HG21 VAL 15 1HG2 VAL 15 2.083 -13.977 17.580 94 HG22 VAL 15 2HG2 VAL 15 0.900 -13.684 16.305 95 HG23 VAL 15 3HG2 VAL 15 0.367 -13.890 17.973 96 HA PRO 16 HA PRO 16 0.178 -13.917 12.208 97 HB2 PRO 16 1HB PRO 16 -0.593 -11.360 12.688 98 HB3 PRO 16 2HB PRO 16 -1.741 -12.664 12.365 99 HG2 PRO 16 1HG PRO 16 -0.909 -11.479 14.985 100 HG3 PRO 16 2HG PRO 16 -2.530 -11.932 14.426 101 HD2 PRO 16 1HD PRO 16 -1.073 -13.496 16.088 102 HD3 PRO 16 2HD PRO 16 -2.206 -14.165 14.896 103 H VAL 17 H VAL 17 1.298 -11.751 11.486 104 HA VAL 17 HA VAL 17 3.390 -10.915 13.337 105 HB VAL 17 HB VAL 17 5.027 -11.222 11.299 106 HG11 VAL 17 1HG1 VAL 17 5.219 -12.228 13.561 107 HG12 VAL 17 2HG1 VAL 17 4.240 -13.584 13.000 108 HG13 VAL 17 3HG1 VAL 17 5.816 -13.273 12.271 109 HG21 VAL 17 1HG2 VAL 17 2.857 -12.275 10.112 110 HG22 VAL 17 2HG2 VAL 17 4.508 -12.740 9.705 111 HG23 VAL 17 3HG2 VAL 17 3.559 -13.735 10.809 112 H THR 18 H THR 18 4.466 -8.983 12.709 113 HA THR 18 HA THR 18 2.839 -7.321 10.937 114 HB THR 18 HB THR 18 5.050 -6.495 12.829 115 HG1 THR 18 1HG THR 18 3.447 -6.065 14.269 116 HG21 THR 18 1HG2 THR 18 4.114 -5.077 10.717 117 HG22 THR 18 2HG2 THR 18 4.722 -4.349 12.204 118 HG23 THR 18 3HG2 THR 18 2.987 -4.573 11.976 119 H ILE 19 H ILE 19 3.531 -6.549 9.033 120 HA ILE 19 HA ILE 19 6.314 -7.135 8.259 121 HB ILE 19 HB ILE 19 5.494 -7.112 5.911 122 HG12 ILE 19 1HG1 ILE 19 2.742 -7.149 7.168 123 HG13 ILE 19 2HG1 ILE 19 3.454 -5.738 6.391 124 HG21 ILE 19 1HG2 ILE 19 4.084 -9.119 7.663 125 HG22 ILE 19 2HG2 ILE 19 4.531 -9.322 5.970 126 HG23 ILE 19 3HG2 ILE 19 5.785 -9.199 7.204 127 HD11 ILE 19 1HD1 ILE 19 2.019 -7.892 5.222 128 HD12 ILE 19 2HD1 ILE 19 2.656 -6.435 4.456 129 HD13 ILE 19 3HD1 ILE 19 3.658 -7.882 4.572 130 H GLU 20 H GLU 20 6.832 -5.665 6.187 131 HA GLU 20 HA GLU 20 6.071 -2.896 6.825 132 HB2 GLU 20 1HB GLU 20 8.803 -4.086 6.625 133 HB3 GLU 20 2HB GLU 20 8.563 -2.438 6.061 134 HG2 GLU 20 1HG GLU 20 7.611 -1.878 8.285 135 HG3 GLU 20 2HG GLU 20 8.039 -3.500 8.825 136 H VAL 21 H VAL 21 5.379 -1.792 5.117 137 HA VAL 21 HA VAL 21 6.107 -2.769 2.432 138 HB VAL 21 HB VAL 21 3.587 -1.231 2.888 139 HG11 VAL 21 1HG1 VAL 21 4.409 -1.735 0.611 140 HG12 VAL 21 2HG1 VAL 21 4.285 -3.457 0.975 141 HG13 VAL 21 3HG1 VAL 21 2.835 -2.452 0.948 142 HG21 VAL 21 1HG2 VAL 21 2.727 -3.826 2.920 143 HG22 VAL 21 2HG2 VAL 21 4.165 -3.900 3.939 144 HG23 VAL 21 3HG2 VAL 21 2.860 -2.781 4.335 145 H GLU 22 H GLU 22 6.773 -1.307 0.928 146 HA GLU 22 HA GLU 22 7.521 1.310 1.902 147 HB2 GLU 22 1HB GLU 22 8.057 -0.216 -0.633 148 HB3 GLU 22 2HB GLU 22 8.469 1.487 -0.491 149 HG2 GLU 22 1HG GLU 22 10.140 1.103 1.022 150 HG3 GLU 22 2HG GLU 22 9.412 -0.388 1.614 151 H VAL 23 H VAL 23 5.926 2.771 1.982 152 HA VAL 23 HA VAL 23 4.519 3.387 -0.509 153 HB VAL 23 HB VAL 23 3.134 2.968 2.142 154 HG11 VAL 23 1HG1 VAL 23 1.419 4.224 1.468 155 HG12 VAL 23 2HG1 VAL 23 2.507 4.870 0.239 156 HG13 VAL 23 3HG1 VAL 23 1.437 3.522 -0.149 157 HG21 VAL 23 1HG2 VAL 23 1.762 1.515 0.322 158 HG22 VAL 23 2HG2 VAL 23 3.396 1.393 -0.331 159 HG23 VAL 23 3HG2 VAL 23 3.064 0.870 1.321 160 HA PRO 24 HA PRO 24 5.749 7.457 0.734 161 HB2 PRO 24 1HB PRO 24 4.380 8.815 -1.177 162 HB3 PRO 24 2HB PRO 24 5.871 7.928 -1.512 163 HG2 PRO 24 1HG PRO 24 3.031 7.102 -1.974 164 HG3 PRO 24 2HG PRO 24 4.440 6.903 -3.032 165 HD2 PRO 24 1HD PRO 24 3.470 4.888 -1.504 166 HD3 PRO 24 2HD PRO 24 5.196 5.050 -1.888 167 H PHE 25 H PHE 25 4.962 8.808 2.227 168 HA PHE 25 HA PHE 25 2.430 8.516 3.363 169 HB2 PHE 25 1HB PHE 25 4.375 9.515 4.525 170 HB3 PHE 25 2HB PHE 25 4.238 10.938 3.499 171 HD1 PHE 25 1HD PHE 25 2.127 12.318 3.632 172 HD2 PHE 25 2HD PHE 25 3.112 9.311 6.479 173 HE1 PHE 25 1HE PHE 25 0.548 13.320 5.231 174 HE2 PHE 25 2HE PHE 25 1.534 10.307 8.083 175 HZ PHE 25 HZ PHE 25 0.249 12.314 7.460 176 H ASP 26 H ASP 26 3.381 10.169 0.544 177 HA ASP 26 HA ASP 26 1.432 12.219 0.485 178 HB2 ASP 26 1HB ASP 26 2.774 10.824 -1.842 179 HB3 ASP 26 2HB ASP 26 1.940 12.375 -1.903 180 H LEU 27 H LEU 27 1.233 8.837 0.045 181 HA LEU 27 HA LEU 27 -1.334 9.050 -1.358 182 HB2 LEU 27 1HB LEU 27 0.487 6.713 -0.829 183 HB3 LEU 27 2HB LEU 27 -1.112 6.556 -1.550 184 HG LEU 27 HG LEU 27 1.164 8.133 -2.750 185 HD11 LEU 27 1HD1 LEU 27 0.139 5.373 -3.396 186 HD12 LEU 27 2HD1 LEU 27 1.724 5.785 -2.740 187 HD13 LEU 27 3HD1 LEU 27 1.290 6.284 -4.374 188 HD21 LEU 27 1HD2 LEU 27 -0.508 7.624 -4.775 189 HD22 LEU 27 2HD2 LEU 27 -0.617 9.075 -3.780 190 HD23 LEU 27 3HD2 LEU 27 -1.674 7.701 -3.454 191 H HIS 28 H HIS 28 0.109 8.162 1.677 192 HA HIS 28 HA HIS 28 -1.619 6.550 2.946 193 HB2 HIS 28 1HB HIS 28 -0.371 9.096 3.974 194 HB3 HIS 28 2HB HIS 28 -1.267 7.996 5.017 195 HD2 HIS 28 2HD HIS 28 0.574 5.710 2.778 196 HE1 HIS 28 1HE HIS 28 3.318 6.568 5.899 197 HE2 HIS 28 2HE HIS 28 2.829 5.116 3.899 198 H ARG 29 H ARG 29 -2.121 10.082 2.809 199 HA ARG 29 HA ARG 29 -4.583 10.243 3.996 200 HB2 ARG 29 1HB ARG 29 -4.976 12.249 2.533 201 HB3 ARG 29 2HB ARG 29 -3.441 12.248 3.391 202 HG2 ARG 29 1HG ARG 29 -2.269 11.590 1.394 203 HG3 ARG 29 2HG ARG 29 -3.792 11.418 0.519 204 HD2 ARG 29 1HD ARG 29 -3.013 13.505 -0.154 205 HD3 ARG 29 2HD ARG 29 -4.171 13.890 1.119 206 HE ARG 29 HE ARG 29 -1.596 13.631 2.229 207 HH11 ARG 29 1HH1 ARG 29 -3.471 15.759 0.211 208 HH12 ARG 29 2HH1 ARG 29 -2.587 17.178 0.662 209 HH21 ARG 29 1HH2 ARG 29 -0.424 15.493 2.830 210 HH22 ARG 29 2HH2 ARG 29 -0.854 17.027 2.151 211 H TYR 30 H TYR 30 -3.838 9.277 0.696 212 HA TYR 30 HA TYR 30 -6.621 9.107 -0.060 213 HB2 TYR 30 1HB TYR 30 -4.157 8.130 -1.518 214 HB3 TYR 30 2HB TYR 30 -5.774 8.270 -2.198 215 HD1 TYR 30 2HD TYR 30 -6.691 10.867 -1.337 216 HD2 TYR 30 1HD TYR 30 -2.796 9.677 -2.568 217 HE1 TYR 30 2HE TYR 30 -6.207 13.180 -2.021 218 HE2 TYR 30 1HE TYR 30 -2.301 11.987 -3.255 219 HH TYR 30 HH TYR 30 -4.566 14.614 -2.631 220 H VAL 31 H VAL 31 -4.143 6.991 1.157 221 HA VAL 31 HA VAL 31 -5.384 4.530 0.454 222 HB VAL 31 HB VAL 31 -3.375 5.131 2.630 223 HG11 VAL 31 1HG1 VAL 31 -4.497 3.074 3.147 224 HG12 VAL 31 2HG1 VAL 31 -4.321 2.507 1.486 225 HG13 VAL 31 3HG1 VAL 31 -2.897 2.692 2.511 226 HG21 VAL 31 1HG2 VAL 31 -2.592 5.658 0.363 227 HG22 VAL 31 2HG2 VAL 31 -1.723 4.288 1.054 228 HG23 VAL 31 3HG2 VAL 31 -2.985 4.016 -0.147 229 H ILE 32 H ILE 32 -5.221 6.349 3.513 230 HA ILE 32 HA ILE 32 -6.934 4.606 4.940 231 HB ILE 32 HB ILE 32 -6.462 7.529 5.524 232 HG12 ILE 32 1HG1 ILE 32 -4.877 5.230 6.656 233 HG13 ILE 32 2HG1 ILE 32 -4.375 6.065 5.191 234 HG21 ILE 32 1HG2 ILE 32 -7.638 5.246 7.009 235 HG22 ILE 32 2HG2 ILE 32 -6.675 6.407 7.919 236 HG23 ILE 32 3HG2 ILE 32 -8.085 6.952 7.013 237 HD11 ILE 32 1HD1 ILE 32 -3.189 6.971 7.058 238 HD12 ILE 32 2HD1 ILE 32 -4.333 8.179 6.475 239 HD13 ILE 32 3HD1 ILE 32 -4.693 7.254 7.933 240 H GLY 33 H GLY 33 -7.536 7.832 3.533 241 HA2 GLY 33 1HA GLY 33 -9.507 8.350 2.295 242 HA3 GLY 33 2HA GLY 33 -10.331 7.034 3.116 243 H GLN 34 H GLN 34 -11.912 8.947 3.215 244 HA GLN 34 HA GLN 34 -11.389 11.001 5.127 245 HB2 GLN 34 1HB GLN 34 -13.012 11.221 3.248 246 HB3 GLN 34 2HB GLN 34 -14.056 10.061 4.060 247 HG2 GLN 34 1HG GLN 34 -14.902 12.211 4.547 248 HG3 GLN 34 2HG GLN 34 -14.121 11.624 6.014 249 HE21 GLN 34 1HE2 GLN 34 -13.553 13.614 3.148 250 HE22 GLN 34 2HE2 GLN 34 -12.492 14.736 3.921 251 H LYS 35 H LYS 35 -13.162 7.940 5.190 252 HA LYS 35 HA LYS 35 -13.217 8.132 8.130 253 HB2 LYS 35 1HB LYS 35 -15.339 7.168 6.229 254 HB3 LYS 35 2HB LYS 35 -15.303 6.625 7.902 255 HG2 LYS 35 1HG LYS 35 -15.472 8.942 8.658 256 HG3 LYS 35 2HG LYS 35 -15.514 9.485 6.978 257 HD2 LYS 35 1HD LYS 35 -17.549 8.012 6.689 258 HD3 LYS 35 2HD LYS 35 -17.555 7.824 8.444 259 HE2 LYS 35 1HE LYS 35 -17.421 10.471 8.346 260 HE3 LYS 35 2HE LYS 35 -18.180 10.204 6.778 261 HZ1 LYS 35 1HZ LYS 35 -19.524 10.409 9.077 262 HZ2 LYS 35 2HZ LYS 35 -19.348 8.730 8.977 263 HZ3 LYS 35 3HZ LYS 35 -20.100 9.577 7.722 264 H GLY 36 H GLY 36 -11.042 7.024 6.990 265 HA2 GLY 36 1HA GLY 36 -9.868 5.052 6.617 266 HA3 GLY 36 2HA GLY 36 -10.575 4.673 8.180 267 H SER 37 H SER 37 -12.040 4.932 4.950 268 HA SER 37 HA SER 37 -13.252 2.301 5.372 269 HB2 SER 37 1HB SER 37 -13.845 4.406 3.278 270 HB3 SER 37 2HB SER 37 -14.744 2.906 3.511 271 HG SER 37 HG SER 37 -15.041 3.751 5.752 272 H GLY 38 H GLY 38 -11.313 4.091 3.005 273 HA2 GLY 38 1HA GLY 38 -11.093 2.264 0.973 274 HA3 GLY 38 2HA GLY 38 -9.785 3.330 1.462 275 H ILE 39 H ILE 39 -9.069 2.374 3.900 276 HA ILE 39 HA ILE 39 -7.585 0.046 3.200 277 HB ILE 39 HB ILE 39 -7.915 1.450 5.852 278 HG12 ILE 39 1HG1 ILE 39 -5.649 1.450 3.845 279 HG13 ILE 39 2HG1 ILE 39 -6.798 2.762 4.086 280 HG21 ILE 39 1HG2 ILE 39 -6.811 -0.190 6.860 281 HG22 ILE 39 2HG2 ILE 39 -6.953 -1.141 5.382 282 HG23 ILE 39 3HG2 ILE 39 -5.531 -0.131 5.649 283 HD11 ILE 39 1HD1 ILE 39 -4.612 1.822 5.898 284 HD12 ILE 39 2HD1 ILE 39 -4.909 3.437 5.252 285 HD13 ILE 39 3HD1 ILE 39 -5.961 2.782 6.505 286 H ARG 40 H ARG 40 -10.170 0.639 5.579 287 HA ARG 40 HA ARG 40 -10.467 -1.769 6.759 288 HB2 ARG 40 1HB ARG 40 -12.427 0.289 5.874 289 HB3 ARG 40 2HB ARG 40 -13.063 -1.260 6.412 290 HG2 ARG 40 1HG ARG 40 -11.708 -0.953 8.515 291 HG3 ARG 40 2HG ARG 40 -11.412 0.701 7.975 292 HD2 ARG 40 1HD ARG 40 -13.903 0.985 7.819 293 HD3 ARG 40 2HD ARG 40 -14.061 -0.582 8.609 294 HE ARG 40 HE ARG 40 -12.403 0.950 10.209 295 HH11 ARG 40 1HH1 ARG 40 -15.683 1.067 9.051 296 HH12 ARG 40 2HH1 ARG 40 -16.280 1.917 10.438 297 HH21 ARG 40 1HH2 ARG 40 -13.177 2.069 12.042 298 HH22 ARG 40 2HH2 ARG 40 -14.854 2.487 12.137 299 H LYS 41 H LYS 41 -11.575 -0.935 3.505 300 HA LYS 41 HA LYS 41 -13.056 -3.112 2.803 301 HB2 LYS 41 1HB LYS 41 -12.728 -1.305 1.252 302 HB3 LYS 41 2HB LYS 41 -11.002 -1.628 1.160 303 HG2 LYS 41 1HG LYS 41 -11.871 -2.502 -0.818 304 HG3 LYS 41 2HG LYS 41 -11.652 -3.910 0.224 305 HD2 LYS 41 1HD LYS 41 -13.775 -4.229 -0.683 306 HD3 LYS 41 2HD LYS 41 -14.109 -3.521 0.899 307 HE2 LYS 41 1HE LYS 41 -13.801 -1.723 -1.459 308 HE3 LYS 41 2HE LYS 41 -15.302 -2.628 -1.266 309 HZ1 LYS 41 1HZ LYS 41 -14.936 -1.614 1.194 310 HZ2 LYS 41 2HZ LYS 41 -15.895 -0.900 -0.001 311 HZ3 LYS 41 3HZ LYS 41 -14.305 -0.372 0.235 312 H MET 42 H MET 42 -9.509 -2.884 2.500 313 HA MET 42 HA MET 42 -9.162 -5.578 1.708 314 HB2 MET 42 1HB MET 42 -7.134 -3.782 3.046 315 HB3 MET 42 2HB MET 42 -6.798 -5.204 2.066 316 HG2 MET 42 1HG MET 42 -8.162 -3.818 0.266 317 HG3 MET 42 2HG MET 42 -7.588 -2.470 1.245 318 HE1 MET 42 1HE MET 42 -4.291 -3.879 1.955 319 HE2 MET 42 2HE MET 42 -3.919 -2.426 1.030 320 HE3 MET 42 3HE MET 42 -5.278 -2.432 2.155 321 H MET 43 H MET 43 -8.871 -3.943 4.844 322 HA MET 43 HA MET 43 -7.949 -6.076 6.363 323 HB2 MET 43 1HB MET 43 -9.832 -3.855 7.179 324 HB3 MET 43 2HB MET 43 -8.983 -4.915 8.297 325 HG2 MET 43 1HG MET 43 -6.854 -4.067 7.091 326 HG3 MET 43 2HG MET 43 -7.897 -2.756 6.547 327 HE1 MET 43 1HE MET 43 -8.942 -1.002 7.965 328 HE2 MET 43 2HE MET 43 -9.820 -2.113 9.016 329 HE3 MET 43 3HE MET 43 -8.813 -0.847 9.717 330 H ASP 44 H ASP 44 -11.149 -5.395 5.152 331 HA ASP 44 HA ASP 44 -12.425 -7.399 6.795 332 HB2 ASP 44 1HB ASP 44 -13.301 -5.444 4.731 333 HB3 ASP 44 2HB ASP 44 -14.301 -6.874 4.963 334 H GLU 45 H GLU 45 -10.877 -7.243 3.717 335 HA GLU 45 HA GLU 45 -12.072 -9.716 2.770 336 HB2 GLU 45 1HB GLU 45 -11.657 -8.007 1.117 337 HB3 GLU 45 2HB GLU 45 -9.968 -7.898 1.590 338 HG2 GLU 45 1HG GLU 45 -9.769 -9.179 -0.274 339 HG3 GLU 45 2HG GLU 45 -9.965 -10.445 0.937 340 H PHE 46 H PHE 46 -8.717 -8.597 3.260 341 HA PHE 46 HA PHE 46 -7.706 -11.272 3.336 342 HB2 PHE 46 1HB PHE 46 -6.321 -8.719 4.176 343 HB3 PHE 46 2HB PHE 46 -5.551 -10.250 3.775 344 HD1 PHE 46 1HD PHE 46 -6.332 -11.158 1.349 345 HD2 PHE 46 2HD PHE 46 -6.204 -7.087 2.583 346 HE1 PHE 46 1HE PHE 46 -6.156 -10.454 -1.003 347 HE2 PHE 46 2HE PHE 46 -6.028 -6.376 0.234 348 HZ PHE 46 HZ PHE 46 -6.005 -8.060 -1.563 349 H GLU 47 H GLU 47 -9.423 -9.538 5.541 350 HA GLU 47 HA GLU 47 -9.728 -9.618 7.800 351 HB2 GLU 47 1HB GLU 47 -8.714 -12.418 7.293 352 HB3 GLU 47 2HB GLU 47 -9.441 -11.895 8.805 353 HG2 GLU 47 1HG GLU 47 -11.502 -11.317 7.558 354 HG3 GLU 47 2HG GLU 47 -10.766 -11.995 6.107 355 H VAL 48 H VAL 48 -7.489 -8.249 7.300 356 HA VAL 48 HA VAL 48 -5.648 -9.161 9.410 357 HB VAL 48 HB VAL 48 -3.747 -8.323 8.202 358 HG11 VAL 48 1HG1 VAL 48 -5.315 -10.500 7.354 359 HG12 VAL 48 2HG1 VAL 48 -4.694 -9.724 5.894 360 HG13 VAL 48 3HG1 VAL 48 -3.579 -10.269 7.148 361 HG21 VAL 48 1HG2 VAL 48 -4.481 -7.743 5.640 362 HG22 VAL 48 2HG2 VAL 48 -5.809 -7.040 6.564 363 HG23 VAL 48 3HG2 VAL 48 -4.148 -6.546 6.891 364 H ASN 49 H ASN 49 -4.041 -7.097 9.760 365 HA ASN 49 HA ASN 49 -5.789 -4.760 10.160 366 HB2 ASN 49 1HB ASN 49 -3.835 -6.005 12.094 367 HB3 ASN 49 2HB ASN 49 -4.447 -4.366 12.286 368 HD21 ASN 49 1HD2 ASN 49 -5.315 -5.095 14.299 369 HD22 ASN 49 2HD2 ASN 49 -6.808 -5.962 14.338 370 H ILE 50 H ILE 50 -5.044 -2.989 9.211 371 HA ILE 50 HA ILE 50 -2.174 -2.838 8.573 372 HB ILE 50 HB ILE 50 -4.486 -1.438 7.224 373 HG12 ILE 50 1HG1 ILE 50 -2.673 -3.574 6.097 374 HG13 ILE 50 2HG1 ILE 50 -4.226 -3.935 6.843 375 HG21 ILE 50 1HG2 ILE 50 -1.851 -1.507 5.929 376 HG22 ILE 50 2HG2 ILE 50 -3.035 -0.206 6.030 377 HG23 ILE 50 3HG2 ILE 50 -1.947 -0.513 7.383 378 HD11 ILE 50 1HD1 ILE 50 -3.803 -3.424 4.194 379 HD12 ILE 50 2HD1 ILE 50 -5.355 -3.322 5.025 380 HD13 ILE 50 3HD1 ILE 50 -4.380 -1.870 4.795 381 H HIS 51 H HIS 51 -0.976 -1.180 9.309 382 HA HIS 51 HA HIS 51 -2.373 1.010 10.702 383 HB2 HIS 51 1HB HIS 51 -0.116 -0.717 11.581 384 HB3 HIS 51 2HB HIS 51 -0.054 0.984 12.034 385 HD1 HIS 51 1HD HIS 51 -0.773 1.105 14.395 386 HD2 HIS 51 2HD HIS 51 -3.139 -1.505 12.194 387 HE1 HIS 51 1HE HIS 51 -2.570 0.331 15.975 388 H VAL 52 H VAL 52 -1.585 3.069 10.435 389 HA VAL 52 HA VAL 52 0.639 3.378 8.525 390 HB VAL 52 HB VAL 52 -1.859 5.067 8.717 391 HG11 VAL 52 1HG1 VAL 52 0.235 5.359 6.603 392 HG12 VAL 52 2HG1 VAL 52 -0.982 6.517 7.141 393 HG13 VAL 52 3HG1 VAL 52 0.420 6.175 8.155 394 HG21 VAL 52 1HG2 VAL 52 -1.006 3.612 6.262 395 HG22 VAL 52 2HG2 VAL 52 -1.795 2.708 7.555 396 HG23 VAL 52 3HG2 VAL 52 -2.624 4.068 6.798 397 HA PRO 53 HA PRO 53 2.540 5.853 11.643 398 HB2 PRO 53 1HB PRO 53 4.350 7.132 10.074 399 HB3 PRO 53 2HB PRO 53 4.515 5.436 10.545 400 HG2 PRO 53 1HG PRO 53 3.488 6.600 7.985 401 HG3 PRO 53 2HG PRO 53 4.578 5.223 8.230 402 HD2 PRO 53 1HD PRO 53 1.940 4.917 7.699 403 HD3 PRO 53 2HD PRO 53 2.848 3.779 8.714 404 H ALA 54 H ALA 54 2.067 7.767 12.541 405 HA ALA 54 HA ALA 54 0.261 9.565 11.389 406 HB1 ALA 54 1HB ALA 54 1.604 9.266 13.885 407 HB2 ALA 54 2HB ALA 54 1.726 10.949 13.371 408 HB3 ALA 54 3HB ALA 54 0.144 10.184 13.515 409 HA PRO 55 HA PRO 55 2.585 12.460 9.051 410 HB2 PRO 55 1HB PRO 55 1.695 14.877 9.912 411 HB3 PRO 55 2HB PRO 55 0.710 13.785 8.930 412 HG2 PRO 55 1HG PRO 55 0.672 14.225 11.891 413 HG3 PRO 55 2HG PRO 55 -0.690 14.051 10.768 414 HD2 PRO 55 1HD PRO 55 0.174 12.019 12.336 415 HD3 PRO 55 2HD PRO 55 -0.524 11.753 10.725 416 H GLU 56 H GLU 56 2.679 12.881 12.529 417 HA GLU 56 HA GLU 56 4.793 14.765 12.613 418 HB2 GLU 56 1HB GLU 56 4.854 14.388 14.942 419 HB3 GLU 56 2HB GLU 56 3.170 14.171 14.482 420 HG2 GLU 56 1HG GLU 56 3.599 11.709 14.407 421 HG3 GLU 56 2HG GLU 56 5.189 12.030 15.097 422 H LEU 57 H LEU 57 4.681 11.261 12.496 423 HA LEU 57 HA LEU 57 7.464 10.888 13.045 424 HB2 LEU 57 1HB LEU 57 5.424 9.045 11.810 425 HB3 LEU 57 2HB LEU 57 7.052 8.569 12.288 426 HG LEU 57 HG LEU 57 4.944 9.588 14.191 427 HD11 LEU 57 1HD1 LEU 57 5.117 7.077 12.921 428 HD12 LEU 57 2HD1 LEU 57 4.065 7.557 14.251 429 HD13 LEU 57 3HD1 LEU 57 5.645 6.853 14.589 430 HD21 LEU 57 1HD2 LEU 57 7.787 8.899 14.422 431 HD22 LEU 57 2HD2 LEU 57 6.745 8.157 15.637 432 HD23 LEU 57 3HD2 LEU 57 6.773 9.911 15.451 433 H GLN 58 H GLN 58 5.550 11.466 10.203 434 HA GLN 58 HA GLN 58 6.063 11.676 7.994 435 HB2 GLN 58 1HB GLN 58 8.599 12.582 9.337 436 HB3 GLN 58 2HB GLN 58 8.429 12.604 7.587 437 HG2 GLN 58 1HG GLN 58 6.312 13.976 7.993 438 HG3 GLN 58 2HG GLN 58 6.922 14.187 9.633 439 HE21 GLN 58 1HE2 GLN 58 6.782 15.578 6.690 440 HE22 GLN 58 2HE2 GLN 58 8.191 16.577 6.759 441 H SER 59 H SER 59 6.006 9.109 8.528 442 HA SER 59 HA SER 59 8.485 7.963 7.426 443 HB2 SER 59 1HB SER 59 7.503 7.208 9.724 444 HB3 SER 59 2HB SER 59 6.345 6.313 8.739 445 HG SER 59 HG SER 59 8.942 6.005 7.925 446 H ASP 60 H ASP 60 8.350 6.407 5.769 447 HA ASP 60 HA ASP 60 5.828 6.492 4.248 448 HB2 ASP 60 1HB ASP 60 8.607 6.086 3.128 449 HB3 ASP 60 2HB ASP 60 7.119 6.312 2.214 450 H ILE 61 H ILE 61 6.704 4.575 6.342 451 HA ILE 61 HA ILE 61 6.596 2.122 4.710 452 HB ILE 61 HB ILE 61 7.743 2.142 7.480 453 HG12 ILE 61 1HG1 ILE 61 8.944 3.841 6.069 454 HG13 ILE 61 2HG1 ILE 61 9.956 2.513 6.627 455 HG21 ILE 61 1HG2 ILE 61 7.610 0.290 5.181 456 HG22 ILE 61 2HG2 ILE 61 9.097 0.276 6.128 457 HG23 ILE 61 3HG2 ILE 61 7.550 -0.041 6.912 458 HD11 ILE 61 1HD1 ILE 61 9.367 1.461 4.326 459 HD12 ILE 61 2HD1 ILE 61 8.974 3.123 3.883 460 HD13 ILE 61 3HD1 ILE 61 10.598 2.719 4.436 461 H ILE 62 H ILE 62 4.712 1.125 4.897 462 HA ILE 62 HA ILE 62 3.045 1.607 7.247 463 HB ILE 62 HB ILE 62 2.474 0.442 4.535 464 HG12 ILE 62 1HG1 ILE 62 1.227 2.735 6.066 465 HG13 ILE 62 2HG1 ILE 62 2.473 2.909 4.834 466 HG21 ILE 62 1HG2 ILE 62 1.119 -0.988 5.666 467 HG22 ILE 62 2HG2 ILE 62 0.989 0.069 7.070 468 HG23 ILE 62 3HG2 ILE 62 0.045 0.409 5.620 469 HD11 ILE 62 1HD1 ILE 62 0.462 3.396 3.753 470 HD12 ILE 62 2HD1 ILE 62 0.849 1.747 3.263 471 HD13 ILE 62 3HD1 ILE 62 -0.372 2.035 4.503 472 H ALA 63 H ALA 63 2.434 0.051 8.672 473 HA ALA 63 HA ALA 63 3.780 -2.550 8.417 474 HB1 ALA 63 1HB ALA 63 3.349 -2.714 10.890 475 HB2 ALA 63 2HB ALA 63 4.462 -1.437 10.397 476 HB3 ALA 63 3HB ALA 63 2.798 -1.039 10.827 477 H ILE 64 H ILE 64 2.641 -4.384 8.244 478 HA ILE 64 HA ILE 64 -0.271 -4.247 8.684 479 HB ILE 64 HB ILE 64 1.131 -5.904 6.583 480 HG12 ILE 64 1HG1 ILE 64 -0.606 -3.460 6.197 481 HG13 ILE 64 2HG1 ILE 64 1.154 -3.430 6.157 482 HG21 ILE 64 1HG2 ILE 64 -1.188 -6.517 7.742 483 HG22 ILE 64 2HG2 ILE 64 -1.784 -5.382 6.533 484 HG23 ILE 64 3HG2 ILE 64 -0.878 -6.809 6.030 485 HD11 ILE 64 1HD1 ILE 64 0.818 -5.287 4.335 486 HD12 ILE 64 2HD1 ILE 64 -0.772 -4.536 4.188 487 HD13 ILE 64 3HD1 ILE 64 0.686 -3.575 3.934 488 H THR 65 H THR 65 -0.992 -5.595 10.183 489 HA THR 65 HA THR 65 0.731 -7.797 11.059 490 HB THR 65 HB THR 65 -1.725 -6.665 12.414 491 HG1 THR 65 1HG THR 65 0.416 -5.398 12.178 492 HG21 THR 65 1HG2 THR 65 -0.635 -9.108 12.819 493 HG22 THR 65 2HG2 THR 65 -1.432 -8.167 14.080 494 HG23 THR 65 3HG2 THR 65 0.326 -8.139 13.937 495 H GLY 66 H GLY 66 0.190 -9.889 10.817 496 HA2 GLY 66 1HA GLY 66 -2.274 -11.073 10.788 497 HA3 GLY 66 2HA GLY 66 -2.035 -10.553 9.126 498 H LEU 67 H LEU 67 -2.363 -13.187 9.569 499 HA LEU 67 HA LEU 67 -0.027 -14.663 10.094 500 HB2 LEU 67 1HB LEU 67 -2.398 -15.392 8.380 501 HB3 LEU 67 2HB LEU 67 -1.180 -16.520 8.976 502 HG LEU 67 HG LEU 67 -3.040 -14.928 10.739 503 HD11 LEU 67 1HD1 LEU 67 -3.879 -17.417 11.076 504 HD12 LEU 67 2HD1 LEU 67 -3.313 -17.569 9.414 505 HD13 LEU 67 3HD1 LEU 67 -4.540 -16.370 9.820 506 HD21 LEU 67 1HD2 LEU 67 -1.085 -17.156 11.285 507 HD22 LEU 67 2HD2 LEU 67 -2.301 -16.601 12.436 508 HD23 LEU 67 3HD2 LEU 67 -1.028 -15.503 11.897 509 H ALA 68 H ALA 68 1.584 -15.442 8.802 510 HA ALA 68 HA ALA 68 2.674 -14.050 6.786 511 HB1 ALA 68 1HB ALA 68 3.853 -15.900 7.719 512 HB2 ALA 68 2HB ALA 68 2.663 -17.045 7.097 513 HB3 ALA 68 3HB ALA 68 3.717 -16.176 5.982 514 H ALA 69 H ALA 69 0.220 -16.576 6.359 515 HA ALA 69 HA ALA 69 0.140 -16.549 3.558 516 HB1 ALA 69 1HB ALA 69 -1.754 -17.411 5.693 517 HB2 ALA 69 2HB ALA 69 -2.312 -17.340 4.021 518 HB3 ALA 69 3HB ALA 69 -0.943 -18.366 4.452 519 H ASN 70 H ASN 70 -1.909 -14.828 5.911 520 HA ASN 70 HA ASN 70 -3.458 -13.441 4.024 521 HB2 ASN 70 1HB ASN 70 -2.763 -12.424 6.781 522 HB3 ASN 70 2HB ASN 70 -4.217 -12.093 5.844 523 HD21 ASN 70 1HD2 ASN 70 -4.794 -12.858 8.217 524 HD22 ASN 70 2HD2 ASN 70 -5.254 -14.522 8.314 525 H LEU 71 H LEU 71 -0.594 -12.390 5.861 526 HA LEU 71 HA LEU 71 -0.310 -9.824 4.991 527 HB2 LEU 71 1HB LEU 71 1.955 -11.797 5.216 528 HB3 LEU 71 2HB LEU 71 2.068 -10.043 5.347 529 HG LEU 71 HG LEU 71 0.469 -11.693 7.288 530 HD11 LEU 71 1HD1 LEU 71 3.297 -11.704 6.956 531 HD12 LEU 71 2HD1 LEU 71 2.323 -12.500 8.191 532 HD13 LEU 71 3HD1 LEU 71 2.903 -10.854 8.451 533 HD21 LEU 71 1HD2 LEU 71 -0.153 -9.568 7.741 534 HD22 LEU 71 2HD2 LEU 71 1.294 -8.870 7.016 535 HD23 LEU 71 3HD2 LEU 71 1.366 -9.558 8.638 536 H ASP 72 H ASP 72 0.546 -12.762 3.237 537 HA ASP 72 HA ASP 72 1.884 -11.590 1.079 538 HB2 ASP 72 1HB ASP 72 0.453 -14.164 1.530 539 HB3 ASP 72 2HB ASP 72 0.823 -13.713 -0.132 540 H ARG 73 H ARG 73 -1.554 -12.461 1.402 541 HA ARG 73 HA ARG 73 -2.339 -11.469 -1.116 542 HB2 ARG 73 1HB ARG 73 -4.264 -11.432 1.157 543 HB3 ARG 73 2HB ARG 73 -4.488 -11.996 -0.493 544 HG2 ARG 73 1HG ARG 73 -2.749 -13.833 0.298 545 HG3 ARG 73 2HG ARG 73 -3.425 -13.422 1.875 546 HD2 ARG 73 1HD ARG 73 -5.655 -13.920 1.094 547 HD3 ARG 73 2HD ARG 73 -5.054 -14.199 -0.540 548 HE ARG 73 HE ARG 73 -3.688 -15.943 1.124 549 HH11 ARG 73 1HH1 ARG 73 -6.977 -15.360 0.141 550 HH12 ARG 73 2HH1 ARG 73 -7.463 -17.012 0.325 551 HH21 ARG 73 1HH2 ARG 73 -4.316 -18.122 1.369 552 HH22 ARG 73 2HH2 ARG 73 -5.948 -18.583 1.024 553 H ALA 74 H ALA 74 -2.569 -10.030 2.132 554 HA ALA 74 HA ALA 74 -3.703 -7.591 1.351 555 HB1 ALA 74 1HB ALA 74 -3.676 -7.187 3.537 556 HB2 ALA 74 2HB ALA 74 -2.886 -8.752 3.741 557 HB3 ALA 74 3HB ALA 74 -1.916 -7.286 3.600 558 H LYS 75 H LYS 75 -0.295 -8.186 2.241 559 HA LYS 75 HA LYS 75 0.794 -5.784 1.536 560 HB2 LYS 75 1HB LYS 75 1.987 -7.746 2.566 561 HB3 LYS 75 2HB LYS 75 2.105 -8.444 0.956 562 HG2 LYS 75 1HG LYS 75 3.247 -6.220 0.322 563 HG3 LYS 75 2HG LYS 75 3.456 -6.015 2.062 564 HD2 LYS 75 1HD LYS 75 4.810 -7.919 2.238 565 HD3 LYS 75 2HD LYS 75 4.292 -8.540 0.668 566 HE2 LYS 75 1HE LYS 75 5.471 -6.725 -0.449 567 HE3 LYS 75 2HE LYS 75 5.951 -6.058 1.110 568 HZ1 LYS 75 1HZ LYS 75 7.354 -7.871 -0.383 569 HZ2 LYS 75 2HZ LYS 75 6.683 -8.803 0.858 570 HZ3 LYS 75 3HZ LYS 75 7.648 -7.465 1.233 571 H ALA 76 H ALA 76 -0.042 -8.457 -0.604 572 HA ALA 76 HA ALA 76 1.151 -7.495 -2.951 573 HB1 ALA 76 1HB ALA 76 0.481 -9.695 -3.103 574 HB2 ALA 76 2HB ALA 76 -1.099 -9.376 -2.385 575 HB3 ALA 76 3HB ALA 76 -0.766 -8.876 -4.043 576 H GLY 77 H GLY 77 -2.027 -6.875 -1.526 577 HA2 GLY 77 1HA GLY 77 -3.054 -5.395 -3.724 578 HA3 GLY 77 2HA GLY 77 -3.680 -5.377 -2.082 579 H LEU 78 H LEU 78 -1.840 -4.282 -0.559 580 HA LEU 78 HA LEU 78 -2.017 -1.578 -0.919 581 HB2 LEU 78 1HB LEU 78 -1.178 -2.925 1.095 582 HB3 LEU 78 2HB LEU 78 0.409 -2.819 0.336 583 HG LEU 78 HG LEU 78 0.271 -0.357 0.461 584 HD11 LEU 78 1HD1 LEU 78 -1.962 0.224 0.461 585 HD12 LEU 78 2HD1 LEU 78 -1.526 0.449 2.155 586 HD13 LEU 78 3HD1 LEU 78 -2.391 -1.003 1.654 587 HD21 LEU 78 1HD2 LEU 78 1.427 -1.550 2.210 588 HD22 LEU 78 2HD2 LEU 78 -0.089 -1.844 3.061 589 HD23 LEU 78 3HD2 LEU 78 0.536 -0.200 2.914 590 H LEU 79 H LEU 79 0.819 -3.575 -1.744 591 HA LEU 79 HA LEU 79 2.479 -1.689 -2.804 592 HB2 LEU 79 1HB LEU 79 1.946 -4.502 -3.724 593 HB3 LEU 79 2HB LEU 79 3.240 -3.510 -4.394 594 HG LEU 79 HG LEU 79 3.023 -4.223 -1.473 595 HD11 LEU 79 1HD1 LEU 79 3.556 -5.990 -3.528 596 HD12 LEU 79 2HD1 LEU 79 3.995 -6.191 -1.832 597 HD13 LEU 79 3HD1 LEU 79 5.155 -5.499 -2.967 598 HD21 LEU 79 1HD2 LEU 79 4.928 -3.072 -1.162 599 HD22 LEU 79 2HD2 LEU 79 4.446 -2.233 -2.636 600 HD23 LEU 79 3HD2 LEU 79 5.601 -3.563 -2.717 601 H GLU 80 H GLU 80 0.203 -3.605 -4.779 602 HA GLU 80 HA GLU 80 0.491 -2.268 -7.163 603 HB2 GLU 80 1HB GLU 80 -1.868 -3.657 -5.923 604 HB3 GLU 80 2HB GLU 80 -1.995 -2.907 -7.508 605 HG2 GLU 80 1HG GLU 80 -0.656 -4.451 -8.506 606 HG3 GLU 80 2HG GLU 80 0.267 -4.764 -7.037 607 H ARG 81 H ARG 81 -1.757 -1.494 -4.522 608 HA ARG 81 HA ARG 81 -3.163 0.582 -5.615 609 HB2 ARG 81 1HB ARG 81 -3.143 -0.481 -3.193 610 HB3 ARG 81 2HB ARG 81 -2.145 0.920 -2.829 611 HG2 ARG 81 1HG ARG 81 -4.232 1.711 -2.319 612 HG3 ARG 81 2HG ARG 81 -4.072 2.236 -3.996 613 HD2 ARG 81 1HD ARG 81 -5.256 0.126 -4.664 614 HD3 ARG 81 2HD ARG 81 -5.568 -0.162 -2.953 615 HE ARG 81 HE ARG 81 -7.251 1.373 -3.062 616 HH11 ARG 81 1HH1 ARG 81 -5.086 1.905 -5.736 617 HH12 ARG 81 2HH1 ARG 81 -6.075 3.127 -6.464 618 HH21 ARG 81 1HH2 ARG 81 -8.562 2.980 -4.011 619 HH22 ARG 81 2HH2 ARG 81 -8.053 3.739 -5.481 620 H VAL 82 H VAL 82 0.071 0.707 -4.178 621 HA VAL 82 HA VAL 82 0.366 3.530 -4.512 622 HB VAL 82 HB VAL 82 2.433 1.381 -4.022 623 HG11 VAL 82 1HG1 VAL 82 4.026 3.068 -3.597 624 HG12 VAL 82 2HG1 VAL 82 3.265 3.509 -5.127 625 HG13 VAL 82 3HG1 VAL 82 2.806 4.340 -3.640 626 HG21 VAL 82 1HG2 VAL 82 2.359 2.752 -1.746 627 HG22 VAL 82 2HG2 VAL 82 0.706 3.051 -2.281 628 HG23 VAL 82 3HG2 VAL 82 1.275 1.397 -2.062 629 H LYS 83 H LYS 83 1.183 0.695 -6.414 630 HA LYS 83 HA LYS 83 2.839 2.037 -8.295 631 HB2 LYS 83 1HB LYS 83 1.278 -0.525 -8.660 632 HB3 LYS 83 2HB LYS 83 2.640 0.013 -9.633 633 HG2 LYS 83 1HG LYS 83 3.999 -0.044 -7.488 634 HG3 LYS 83 2HG LYS 83 2.645 -0.929 -6.785 635 HD2 LYS 83 1HD LYS 83 3.724 -1.871 -9.389 636 HD3 LYS 83 2HD LYS 83 4.686 -2.169 -7.939 637 HE2 LYS 83 1HE LYS 83 3.410 -4.056 -7.927 638 HE3 LYS 83 2HE LYS 83 2.348 -2.991 -7.007 639 HZ1 LYS 83 1HZ LYS 83 1.055 -2.571 -8.952 640 HZ2 LYS 83 2HZ LYS 83 1.211 -4.247 -8.789 641 HZ3 LYS 83 3HZ LYS 83 2.138 -3.419 -9.936 642 H GLU 84 H GLU 84 -0.604 1.448 -8.047 643 HA GLU 84 HA GLU 84 -1.124 2.419 -10.727 644 HB2 GLU 84 1HB GLU 84 -2.521 0.633 -9.849 645 HB3 GLU 84 2HB GLU 84 -2.991 1.636 -8.484 646 HG2 GLU 84 1HG GLU 84 -4.811 1.793 -9.892 647 HG3 GLU 84 2HG GLU 84 -3.900 3.255 -10.268 648 H LEU 85 H LEU 85 -1.910 3.461 -7.413 649 HA LEU 85 HA LEU 85 -3.152 5.862 -8.027 650 HB2 LEU 85 1HB LEU 85 -1.476 5.066 -5.660 651 HB3 LEU 85 2HB LEU 85 -2.345 6.597 -5.749 652 HG LEU 85 HG LEU 85 -3.775 3.973 -6.033 653 HD11 LEU 85 1HD1 LEU 85 -2.678 3.705 -3.959 654 HD12 LEU 85 2HD1 LEU 85 -4.312 4.252 -3.581 655 HD13 LEU 85 3HD1 LEU 85 -2.962 5.384 -3.505 656 HD21 LEU 85 1HD2 LEU 85 -5.255 5.620 -6.611 657 HD22 LEU 85 2HD2 LEU 85 -4.496 6.824 -5.569 658 HD23 LEU 85 3HD2 LEU 85 -5.517 5.567 -4.868 659 H GLN 86 H GLN 86 0.291 5.270 -7.353 660 HA GLN 86 HA GLN 86 1.232 7.862 -7.572 661 HB2 GLN 86 1HB GLN 86 3.389 6.943 -7.898 662 HB3 GLN 86 2HB GLN 86 2.521 5.785 -6.898 663 HG2 GLN 86 1HG GLN 86 2.176 4.330 -8.757 664 HG3 GLN 86 2HG GLN 86 2.808 5.534 -9.880 665 HE21 GLN 86 1HE2 GLN 86 4.078 4.596 -6.730 666 HE22 GLN 86 2HE2 GLN 86 5.589 3.997 -7.314 667 H ALA 87 H ALA 87 0.413 5.568 -10.102 668 HA ALA 87 HA ALA 87 1.520 7.082 -12.247 669 HB1 ALA 87 1HB ALA 87 1.200 5.119 -13.231 670 HB2 ALA 87 2HB ALA 87 0.150 4.578 -11.922 671 HB3 ALA 87 3HB ALA 87 -0.527 5.476 -13.280 672 H GLU 88 H GLU 88 -1.539 7.072 -10.572 673 HA GLU 88 HA GLU 88 -2.903 8.647 -12.561 674 HB2 GLU 88 1HB GLU 88 -3.662 7.967 -9.714 675 HB3 GLU 88 2HB GLU 88 -4.711 8.771 -10.873 676 HG2 GLU 88 1HG GLU 88 -3.713 5.947 -10.903 677 HG3 GLU 88 2HG GLU 88 -5.376 6.529 -10.882 678 H GLN 89 H GLN 89 -2.080 9.296 -9.148 679 HA GLN 89 HA GLN 89 -2.595 11.996 -9.109 680 HB2 GLN 89 1HB GLN 89 -0.952 12.134 -7.253 681 HB3 GLN 89 2HB GLN 89 -2.074 10.790 -7.083 682 HG2 GLN 89 1HG GLN 89 -0.463 9.212 -7.438 683 HG3 GLN 89 2HG GLN 89 0.538 10.294 -8.406 684 HE21 GLN 89 1HE2 GLN 89 2.318 9.561 -7.130 685 HE22 GLN 89 2HE2 GLN 89 2.599 10.230 -5.562 686 H GLU 90 H GLU 90 0.221 10.327 -10.365 687 HA GLU 90 HA GLU 90 1.740 12.736 -10.770 688 HB2 GLU 90 1HB GLU 90 2.132 9.889 -11.693 689 HB3 GLU 90 2HB GLU 90 3.243 11.190 -12.096 690 HG2 GLU 90 1HG GLU 90 3.702 11.556 -9.740 691 HG3 GLU 90 2HG GLU 90 2.550 10.295 -9.307 692 H ASP 91 H ASP 91 -0.155 10.539 -12.794 693 HA ASP 91 HA ASP 91 0.306 11.267 -15.316 694 HB2 ASP 91 1HB ASP 91 -1.588 9.807 -14.456 695 HB3 ASP 91 2HB ASP 91 -2.521 11.288 -14.257 696 H ARG 92 H ARG 92 -2.101 13.094 -13.414 697 HA ARG 92 HA ARG 92 -2.501 15.199 -15.108 698 HB2 ARG 92 1HB ARG 92 -2.907 16.567 -12.994 699 HB3 ARG 92 2HB ARG 92 -3.852 15.096 -13.181 700 HG2 ARG 92 1HG ARG 92 -2.417 13.925 -11.639 701 HG3 ARG 92 2HG ARG 92 -1.350 15.326 -11.523 702 HD2 ARG 92 1HD ARG 92 -3.479 16.581 -10.759 703 HD3 ARG 92 2HD ARG 92 -4.130 14.968 -10.464 704 HE ARG 92 HE ARG 92 -2.895 14.922 -8.556 705 HH11 ARG 92 1HH1 ARG 92 -1.358 17.101 -10.795 706 HH12 ARG 92 2HH1 ARG 92 -0.107 17.562 -9.690 707 HH21 ARG 92 1HH2 ARG 92 -1.251 15.521 -7.092 708 HH22 ARG 92 2HH2 ARG 92 -0.046 16.662 -7.584 709 H ALA 93 H ALA 93 0.149 14.776 -12.813 710 HA ALA 93 HA ALA 93 1.294 17.347 -13.225 711 HB1 ALA 93 1HB ALA 93 2.122 16.564 -11.283 712 HB2 ALA 93 2HB ALA 93 2.032 14.880 -11.799 713 HB3 ALA 93 3HB ALA 93 3.377 15.892 -12.324 714 H LEU 94 H LEU 94 1.804 14.169 -14.668 715 HA LEU 94 HA LEU 94 4.110 14.842 -16.160 716 HB2 LEU 94 1HB LEU 94 2.104 12.656 -16.194 717 HB3 LEU 94 2HB LEU 94 3.101 12.870 -17.631 718 HG LEU 94 HG LEU 94 5.109 12.701 -16.086 719 HD11 LEU 94 1HD1 LEU 94 3.579 11.144 -14.150 720 HD12 LEU 94 2HD1 LEU 94 3.234 12.873 -14.101 721 HD13 LEU 94 3HD1 LEU 94 4.890 12.298 -13.901 722 HD21 LEU 94 1HD2 LEU 94 5.263 10.528 -16.642 723 HD22 LEU 94 2HD2 LEU 94 3.743 10.825 -17.486 724 HD23 LEU 94 3HD2 LEU 94 3.732 10.115 -15.870 725 H ARG 95 H ARG 95 0.737 15.427 -16.639 726 HA ARG 95 HA ARG 95 -0.470 16.324 -18.361 727 HB2 ARG 95 1HB ARG 95 2.121 17.859 -18.469 728 HB3 ARG 95 2HB ARG 95 0.749 18.266 -19.491 729 HG2 ARG 95 1HG ARG 95 -0.559 18.330 -17.242 730 HG3 ARG 95 2HG ARG 95 1.048 18.515 -16.536 731 HD2 ARG 95 1HD ARG 95 -0.079 20.262 -18.719 732 HD3 ARG 95 2HD ARG 95 -0.094 20.671 -17.004 733 HE ARG 95 HE ARG 95 2.527 20.146 -17.559 734 HH11 ARG 95 1HH1 ARG 95 0.118 22.302 -18.853 735 HH12 ARG 95 2HH1 ARG 95 1.265 23.517 -19.314 736 HH21 ARG 95 1HH2 ARG 95 4.045 21.738 -18.161 737 HH22 ARG 95 2HH2 ARG 95 3.499 23.194 -18.921 738 H SER 96 H SER 96 0.631 13.891 -19.086 739 HA SER 96 HA SER 96 0.641 14.141 -21.946 740 HB2 SER 96 1HB SER 96 3.047 14.580 -21.277 741 HB3 SER 96 2HB SER 96 3.105 12.916 -20.693 742 HG SER 96 HG SER 96 3.423 12.329 -22.672 743 H PHE 97 H PHE 97 0.841 11.949 -22.997 744 HA PHE 97 HA PHE 97 -0.255 9.875 -21.212 745 HB2 PHE 97 1HB PHE 97 -0.905 10.182 -24.146 746 HB3 PHE 97 2HB PHE 97 -1.687 9.121 -22.978 747 HD1 PHE 97 1HD PHE 97 -3.004 10.178 -21.093 748 HD2 PHE 97 2HD PHE 97 -1.681 12.351 -24.505 749 HE1 PHE 97 1HE PHE 97 -4.674 11.923 -20.625 750 HE2 PHE 97 2HE PHE 97 -3.347 14.100 -24.041 751 HZ PHE 97 HZ PHE 97 -4.846 13.888 -22.099 752 H LYS 98 H LYS 98 0.985 8.141 -21.026 753 HA LYS 98 HA LYS 98 3.193 7.719 -22.852 754 HB2 LYS 98 1HB LYS 98 3.835 5.919 -21.292 755 HB3 LYS 98 2HB LYS 98 3.593 7.454 -20.470 756 HG2 LYS 98 1HG LYS 98 1.321 6.683 -19.824 757 HG3 LYS 98 2HG LYS 98 1.707 5.110 -20.523 758 HD2 LYS 98 1HD LYS 98 3.497 6.344 -18.462 759 HD3 LYS 98 2HD LYS 98 2.037 5.475 -17.980 760 HE2 LYS 98 1HE LYS 98 2.814 3.483 -19.123 761 HE3 LYS 98 2HE LYS 98 4.235 4.346 -19.711 762 HZ1 LYS 98 1HZ LYS 98 4.581 4.751 -17.161 763 HZ2 LYS 98 2HZ LYS 98 5.100 3.316 -17.891 764 HZ3 LYS 98 3HZ LYS 98 3.649 3.346 -17.021 765 H SER 99 H SER 99 0.268 5.991 -21.838 766 HA SER 99 HA SER 99 -0.146 4.827 -24.373 767 HB2 SER 99 1HB SER 99 1.784 3.437 -23.741 768 HB3 SER 99 2HB SER 99 0.953 2.950 -22.264 769 HG SER 99 HG SER 99 0.352 1.366 -23.551 770 H GLY 100 H GLY 100 -2.187 4.005 -24.547 771 HA2 GLY 100 1HA GLY 100 -3.703 2.911 -22.446 772 HA3 GLY 100 2HA GLY 100 -4.069 4.626 -22.560 773 HA PRO 101 HA PRO 101 -7.104 3.635 -25.578 774 HB2 PRO 101 1HB PRO 101 -7.330 6.057 -26.783 775 HB3 PRO 101 2HB PRO 101 -7.976 5.722 -25.172 776 HG2 PRO 101 1HG PRO 101 -5.423 7.081 -25.945 777 HG3 PRO 101 2HG PRO 101 -6.592 7.526 -24.688 778 HD2 PRO 101 1HD PRO 101 -4.279 6.229 -24.135 779 HD3 PRO 101 2HD PRO 101 -5.763 5.978 -23.194 780 H SER 102 H SER 102 -4.191 5.349 -26.637 781 HA SER 102 HA SER 102 -4.533 4.312 -29.348 782 HB2 SER 102 1HB SER 102 -2.843 6.460 -28.121 783 HB3 SER 102 2HB SER 102 -2.355 5.747 -29.659 784 HG SER 102 HG SER 102 -4.645 7.253 -29.037 785 H SER 103 H SER 103 -2.961 3.058 -30.386 786 HA SER 103 HA SER 103 -1.016 1.762 -28.590 787 HB2 SER 103 1HB SER 103 -1.451 -0.352 -29.578 788 HB3 SER 103 2HB SER 103 -3.038 0.355 -29.276 789 HG SER 103 HG SER 103 -3.161 0.914 -31.451 790 H GLY 104 H GLY 104 1.042 1.701 -29.264 791 HA2 GLY 104 1HA GLY 104 2.039 1.385 -31.798 792 HA3 GLY 104 2HA GLY 104 1.775 3.116 -31.648 Start of MODEL 12 1 H1 GLY 1 H GLY 1 11.187 -34.986 -15.140 2 HA2 GLY 1 1HA GLY 1 9.989 -36.516 -17.352 3 HA3 GLY 1 2HA GLY 1 10.818 -37.363 -16.054 4 H SER 2 H SER 2 8.650 -34.557 -15.911 5 HA SER 2 HA SER 2 6.522 -36.140 -14.760 6 HB2 SER 2 1HB SER 2 8.127 -35.625 -12.862 7 HB3 SER 2 2HB SER 2 7.715 -33.925 -13.086 8 HG SER 2 HG SER 2 6.466 -35.380 -11.515 9 H SER 3 H SER 3 4.943 -35.423 -16.047 10 HA SER 3 HA SER 3 4.719 -33.035 -17.364 11 HB2 SER 3 1HB SER 3 2.303 -33.462 -17.501 12 HB3 SER 3 2HB SER 3 3.219 -34.948 -17.751 13 HG SER 3 HG SER 3 2.863 -35.064 -15.281 14 H GLY 4 H GLY 4 5.275 -31.208 -16.245 15 HA2 GLY 4 1HA GLY 4 4.382 -29.259 -15.207 16 HA3 GLY 4 2HA GLY 4 3.285 -30.284 -14.294 17 H SER 5 H SER 5 3.748 -29.779 -12.231 18 HA SER 5 HA SER 5 6.181 -30.735 -11.093 19 HB2 SER 5 1HB SER 5 7.026 -28.599 -11.951 20 HB3 SER 5 2HB SER 5 5.738 -27.739 -11.107 21 HG SER 5 HG SER 5 6.731 -28.957 -9.187 22 H SER 6 H SER 6 5.953 -31.149 -8.946 23 HA SER 6 HA SER 6 3.361 -30.432 -7.763 24 HB2 SER 6 1HB SER 6 5.250 -32.734 -7.301 25 HB3 SER 6 2HB SER 6 3.982 -32.335 -6.141 26 HG SER 6 HG SER 6 3.491 -33.921 -7.885 27 H GLY 7 H GLY 7 3.226 -29.269 -5.925 28 HA2 GLY 7 1HA GLY 7 5.777 -28.509 -4.639 29 HA3 GLY 7 2HA GLY 7 4.425 -27.404 -4.836 30 H LYS 8 H LYS 8 5.965 -28.650 -2.475 31 HA LYS 8 HA LYS 8 3.558 -29.382 -0.941 32 HB2 LYS 8 1HB LYS 8 5.227 -30.741 0.490 33 HB3 LYS 8 2HB LYS 8 4.693 -31.417 -1.043 34 HG2 LYS 8 1HG LYS 8 7.171 -29.784 -1.030 35 HG3 LYS 8 2HG LYS 8 7.231 -31.404 -0.334 36 HD2 LYS 8 1HD LYS 8 5.975 -32.018 -2.584 37 HD3 LYS 8 2HD LYS 8 6.783 -30.553 -3.148 38 HE2 LYS 8 1HE LYS 8 8.265 -32.300 -3.658 39 HE3 LYS 8 2HE LYS 8 8.918 -31.559 -2.197 40 HZ1 LYS 8 1HZ LYS 8 7.070 -33.794 -1.860 41 HZ2 LYS 8 2HZ LYS 8 8.426 -33.367 -0.946 42 HZ3 LYS 8 3HZ LYS 8 8.621 -34.154 -2.431 43 H GLU 9 H GLU 9 3.741 -28.949 1.394 44 HA GLU 9 HA GLU 9 5.773 -27.083 2.254 45 HB2 GLU 9 1HB GLU 9 3.006 -26.232 1.570 46 HB3 GLU 9 2HB GLU 9 3.723 -25.551 3.023 47 HG2 GLU 9 1HG GLU 9 5.689 -24.880 1.603 48 HG3 GLU 9 2HG GLU 9 4.725 -25.338 0.200 49 H ALA 10 H ALA 10 5.361 -26.384 4.562 50 HA ALA 10 HA ALA 10 3.529 -27.861 6.164 51 HB1 ALA 10 1HB ALA 10 5.617 -28.950 7.416 52 HB2 ALA 10 2HB ALA 10 4.744 -29.776 6.125 53 HB3 ALA 10 3HB ALA 10 6.257 -28.941 5.773 54 H LEU 11 H LEU 11 3.018 -26.235 7.484 55 HA LEU 11 HA LEU 11 4.940 -25.228 9.344 56 HB2 LEU 11 1HB LEU 11 5.626 -23.693 7.753 57 HB3 LEU 11 2HB LEU 11 4.010 -23.528 7.070 58 HG LEU 11 HG LEU 11 3.358 -22.299 9.163 59 HD11 LEU 11 1HD1 LEU 11 6.220 -22.818 9.738 60 HD12 LEU 11 2HD1 LEU 11 4.839 -22.727 10.832 61 HD13 LEU 11 3HD1 LEU 11 5.562 -21.248 10.198 62 HD21 LEU 11 1HD2 LEU 11 5.355 -20.486 8.301 63 HD22 LEU 11 2HD2 LEU 11 3.652 -20.541 7.844 64 HD23 LEU 11 3HD2 LEU 11 4.848 -21.430 6.900 65 H GLU 12 H GLU 12 3.978 -24.443 11.167 66 HA GLU 12 HA GLU 12 1.047 -24.146 11.097 67 HB2 GLU 12 1HB GLU 12 1.493 -26.228 12.183 68 HB3 GLU 12 2HB GLU 12 2.768 -25.515 13.162 69 HG2 GLU 12 1HG GLU 12 1.031 -25.683 14.659 70 HG3 GLU 12 2HG GLU 12 0.886 -24.017 14.102 71 H ALA 13 H ALA 13 0.474 -22.137 11.556 72 HA ALA 13 HA ALA 13 1.928 -20.689 13.658 73 HB1 ALA 13 1HB ALA 13 1.229 -19.639 10.926 74 HB2 ALA 13 2HB ALA 13 1.674 -18.603 12.282 75 HB3 ALA 13 3HB ALA 13 2.828 -19.780 11.657 76 H LEU 14 H LEU 14 0.602 -19.954 15.177 77 HA LEU 14 HA LEU 14 -2.269 -19.846 14.609 78 HB2 LEU 14 1HB LEU 14 -2.459 -19.679 17.108 79 HB3 LEU 14 2HB LEU 14 -1.790 -21.187 16.488 80 HG LEU 14 HG LEU 14 0.036 -19.004 17.413 81 HD11 LEU 14 1HD1 LEU 14 -1.878 -19.804 19.098 82 HD12 LEU 14 2HD1 LEU 14 -0.235 -19.431 19.617 83 HD13 LEU 14 3HD1 LEU 14 -0.717 -21.106 19.350 84 HD21 LEU 14 1HD2 LEU 14 0.323 -21.629 16.404 85 HD22 LEU 14 2HD2 LEU 14 0.805 -21.662 18.100 86 HD23 LEU 14 3HD2 LEU 14 1.580 -20.536 16.985 87 H VAL 15 H VAL 15 0.372 -17.884 15.904 88 HA VAL 15 HA VAL 15 -1.390 -15.546 15.998 89 HB VAL 15 HB VAL 15 0.011 -15.945 17.967 90 HG11 VAL 15 1HG1 VAL 15 1.873 -17.033 16.668 91 HG12 VAL 15 2HG1 VAL 15 2.403 -15.411 16.217 92 HG13 VAL 15 3HG1 VAL 15 2.384 -15.896 17.914 93 HG21 VAL 15 1HG2 VAL 15 1.245 -13.678 17.898 94 HG22 VAL 15 2HG2 VAL 15 0.511 -13.503 16.304 95 HG23 VAL 15 3HG2 VAL 15 -0.510 -13.690 17.730 96 HA PRO 16 HA PRO 16 0.135 -14.048 12.135 97 HB2 PRO 16 1HB PRO 16 -0.647 -11.462 12.398 98 HB3 PRO 16 2HB PRO 16 -1.777 -12.778 12.057 99 HG2 PRO 16 1HG PRO 16 -1.154 -11.444 14.664 100 HG3 PRO 16 2HG PRO 16 -2.727 -11.920 13.999 101 HD2 PRO 16 1HD PRO 16 -1.430 -13.391 15.865 102 HD3 PRO 16 2HD PRO 16 -2.468 -14.123 14.624 103 H VAL 17 H VAL 17 1.283 -11.852 11.422 104 HA VAL 17 HA VAL 17 3.293 -11.045 13.385 105 HB VAL 17 HB VAL 17 5.067 -11.306 11.564 106 HG11 VAL 17 1HG1 VAL 17 3.820 -13.605 13.034 107 HG12 VAL 17 2HG1 VAL 17 5.290 -13.805 12.078 108 HG13 VAL 17 3HG1 VAL 17 5.268 -12.686 13.442 109 HG21 VAL 17 1HG2 VAL 17 2.754 -12.493 10.251 110 HG22 VAL 17 2HG2 VAL 17 4.281 -11.936 9.567 111 HG23 VAL 17 3HG2 VAL 17 4.163 -13.554 10.258 112 H THR 18 H THR 18 4.501 -9.142 12.739 113 HA THR 18 HA THR 18 2.876 -7.384 11.054 114 HB THR 18 HB THR 18 5.119 -6.644 12.941 115 HG1 THR 18 1HG THR 18 2.291 -6.528 13.295 116 HG21 THR 18 1HG2 THR 18 3.440 -5.137 11.058 117 HG22 THR 18 2HG2 THR 18 5.007 -4.730 11.757 118 HG23 THR 18 3HG2 THR 18 3.531 -4.450 12.679 119 H ILE 19 H ILE 19 3.565 -6.608 9.154 120 HA ILE 19 HA ILE 19 6.352 -7.169 8.376 121 HB ILE 19 HB ILE 19 5.556 -7.206 6.038 122 HG12 ILE 19 1HG1 ILE 19 2.743 -7.388 7.067 123 HG13 ILE 19 2HG1 ILE 19 3.452 -5.816 6.717 124 HG21 ILE 19 1HG2 ILE 19 5.636 -9.225 7.689 125 HG22 ILE 19 2HG2 ILE 19 3.883 -9.188 7.512 126 HG23 ILE 19 3HG2 ILE 19 4.907 -9.415 6.094 127 HD11 ILE 19 1HD1 ILE 19 2.386 -6.314 4.748 128 HD12 ILE 19 2HD1 ILE 19 4.020 -6.891 4.421 129 HD13 ILE 19 3HD1 ILE 19 2.752 -8.035 4.859 130 H GLU 20 H GLU 20 6.798 -5.698 6.262 131 HA GLU 20 HA GLU 20 6.027 -2.940 6.932 132 HB2 GLU 20 1HB GLU 20 8.759 -4.102 6.632 133 HB3 GLU 20 2HB GLU 20 8.486 -2.459 6.069 134 HG2 GLU 20 1HG GLU 20 7.706 -1.817 8.284 135 HG3 GLU 20 2HG GLU 20 7.950 -3.467 8.854 136 H VAL 21 H VAL 21 5.393 -1.740 5.248 137 HA VAL 21 HA VAL 21 5.998 -2.723 2.536 138 HB VAL 21 HB VAL 21 3.431 -1.318 3.233 139 HG11 VAL 21 1HG1 VAL 21 2.969 -1.511 1.065 140 HG12 VAL 21 2HG1 VAL 21 4.640 -2.027 0.824 141 HG13 VAL 21 3HG1 VAL 21 3.371 -3.228 1.071 142 HG21 VAL 21 1HG2 VAL 21 2.800 -3.125 4.381 143 HG22 VAL 21 2HG2 VAL 21 2.774 -3.969 2.832 144 HG23 VAL 21 3HG2 VAL 21 4.208 -4.049 3.856 145 H GLU 22 H GLU 22 6.939 -1.287 1.239 146 HA GLU 22 HA GLU 22 7.482 1.367 2.163 147 HB2 GLU 22 1HB GLU 22 8.122 -0.130 -0.368 148 HB3 GLU 22 2HB GLU 22 8.510 1.575 -0.185 149 HG2 GLU 22 1HG GLU 22 10.141 1.183 1.366 150 HG3 GLU 22 2HG GLU 22 9.405 -0.318 1.924 151 H VAL 23 H VAL 23 5.975 2.896 2.118 152 HA VAL 23 HA VAL 23 4.573 3.418 -0.388 153 HB VAL 23 HB VAL 23 3.139 3.042 2.245 154 HG11 VAL 23 1HG1 VAL 23 1.424 4.262 1.507 155 HG12 VAL 23 2HG1 VAL 23 2.533 4.894 0.288 156 HG13 VAL 23 3HG1 VAL 23 1.486 3.526 -0.095 157 HG21 VAL 23 1HG2 VAL 23 1.797 1.466 0.646 158 HG22 VAL 23 2HG2 VAL 23 3.285 1.488 -0.300 159 HG23 VAL 23 3HG2 VAL 23 3.311 0.918 1.368 160 HA PRO 24 HA PRO 24 5.744 7.521 0.799 161 HB2 PRO 24 1HB PRO 24 4.402 8.830 -1.165 162 HB3 PRO 24 2HB PRO 24 5.907 7.949 -1.452 163 HG2 PRO 24 1HG PRO 24 3.084 7.089 -1.954 164 HG3 PRO 24 2HG PRO 24 4.516 6.883 -2.980 165 HD2 PRO 24 1HD PRO 24 3.533 4.889 -1.434 166 HD3 PRO 24 2HD PRO 24 5.265 5.059 -1.785 167 H PHE 25 H PHE 25 4.915 8.858 2.278 168 HA PHE 25 HA PHE 25 2.373 8.577 3.368 169 HB2 PHE 25 1HB PHE 25 4.382 9.680 4.436 170 HB3 PHE 25 2HB PHE 25 4.017 11.108 3.473 171 HD1 PHE 25 1HD PHE 25 1.700 12.154 3.752 172 HD2 PHE 25 2HD PHE 25 3.359 9.352 6.493 173 HE1 PHE 25 1HE PHE 25 0.127 12.920 5.483 174 HE2 PHE 25 2HE PHE 25 1.789 10.112 8.227 175 HZ PHE 25 HZ PHE 25 0.170 11.898 7.723 176 H ASP 26 H ASP 26 3.386 10.281 0.569 177 HA ASP 26 HA ASP 26 1.332 12.222 0.436 178 HB2 ASP 26 1HB ASP 26 2.857 10.944 -1.843 179 HB3 ASP 26 2HB ASP 26 1.958 12.457 -1.912 180 H LEU 27 H LEU 27 1.230 8.875 0.166 181 HA LEU 27 HA LEU 27 -1.208 8.940 -1.476 182 HB2 LEU 27 1HB LEU 27 0.727 6.741 -0.801 183 HB3 LEU 27 2HB LEU 27 -0.858 6.416 -1.502 184 HG LEU 27 HG LEU 27 1.349 8.027 -2.785 185 HD11 LEU 27 1HD1 LEU 27 0.282 5.269 -3.364 186 HD12 LEU 27 2HD1 LEU 27 1.883 5.674 -2.748 187 HD13 LEU 27 3HD1 LEU 27 1.421 6.150 -4.382 188 HD21 LEU 27 1HD2 LEU 27 -0.378 8.963 -3.872 189 HD22 LEU 27 2HD2 LEU 27 -1.509 7.701 -3.377 190 HD23 LEU 27 3HD2 LEU 27 -0.428 7.431 -4.746 191 H HIS 28 H HIS 28 0.052 8.195 1.675 192 HA HIS 28 HA HIS 28 -1.778 6.551 2.819 193 HB2 HIS 28 1HB HIS 28 -0.494 9.034 3.955 194 HB3 HIS 28 2HB HIS 28 -1.467 7.938 4.932 195 HD2 HIS 28 2HD HIS 28 0.728 6.030 2.462 196 HE1 HIS 28 1HE HIS 28 2.792 6.069 6.169 197 HE2 HIS 28 2HE HIS 28 2.744 5.152 3.824 198 H ARG 29 H ARG 29 -2.137 10.103 2.795 199 HA ARG 29 HA ARG 29 -4.655 10.317 3.840 200 HB2 ARG 29 1HB ARG 29 -4.887 12.390 2.426 201 HB3 ARG 29 2HB ARG 29 -3.417 12.301 3.387 202 HG2 ARG 29 1HG ARG 29 -2.307 11.373 1.284 203 HG3 ARG 29 2HG ARG 29 -3.743 11.943 0.430 204 HD2 ARG 29 1HD ARG 29 -3.321 14.191 1.029 205 HD3 ARG 29 2HD ARG 29 -2.110 13.722 2.221 206 HE ARG 29 HE ARG 29 -1.018 12.800 -0.034 207 HH11 ARG 29 1HH1 ARG 29 -2.475 15.870 0.722 208 HH12 ARG 29 2HH1 ARG 29 -1.489 16.760 -0.390 209 HH21 ARG 29 1HH2 ARG 29 0.286 13.960 -1.501 210 HH22 ARG 29 2HH2 ARG 29 0.082 15.672 -1.655 211 H TYR 30 H TYR 30 -3.747 9.155 0.697 212 HA TYR 30 HA TYR 30 -6.484 9.236 -0.291 213 HB2 TYR 30 1HB TYR 30 -4.043 8.068 -1.636 214 HB3 TYR 30 2HB TYR 30 -5.578 8.477 -2.392 215 HD1 TYR 30 2HD TYR 30 -6.005 11.157 -1.064 216 HD2 TYR 30 1HD TYR 30 -2.573 9.426 -2.887 217 HE1 TYR 30 2HE TYR 30 -5.154 13.405 -1.583 218 HE2 TYR 30 1HE TYR 30 -1.712 11.670 -3.410 219 HH TYR 30 HH TYR 30 -3.631 14.497 -3.084 220 H VAL 31 H VAL 31 -4.152 6.958 0.967 221 HA VAL 31 HA VAL 31 -5.589 4.604 0.212 222 HB VAL 31 HB VAL 31 -3.413 5.032 2.262 223 HG11 VAL 31 1HG1 VAL 31 -3.213 2.470 1.975 224 HG12 VAL 31 2HG1 VAL 31 -4.459 3.113 3.047 225 HG13 VAL 31 3HG1 VAL 31 -4.887 2.563 1.426 226 HG21 VAL 31 1HG2 VAL 31 -3.296 3.714 -0.447 227 HG22 VAL 31 2HG2 VAL 31 -2.828 5.385 -0.136 228 HG23 VAL 31 3HG2 VAL 31 -1.943 4.065 0.629 229 H ILE 32 H ILE 32 -5.125 6.270 3.330 230 HA ILE 32 HA ILE 32 -6.785 4.663 4.874 231 HB ILE 32 HB ILE 32 -6.282 7.626 5.176 232 HG12 ILE 32 1HG1 ILE 32 -4.930 5.300 6.555 233 HG13 ILE 32 2HG1 ILE 32 -4.263 6.129 5.154 234 HG21 ILE 32 1HG2 ILE 32 -8.157 6.076 6.494 235 HG22 ILE 32 2HG2 ILE 32 -6.787 6.122 7.602 236 HG23 ILE 32 3HG2 ILE 32 -7.512 7.626 7.035 237 HD11 ILE 32 1HD1 ILE 32 -3.990 8.141 6.373 238 HD12 ILE 32 2HD1 ILE 32 -4.932 7.521 7.730 239 HD13 ILE 32 3HD1 ILE 32 -3.347 6.837 7.371 240 H GLY 33 H GLY 33 -7.640 7.857 3.515 241 HA2 GLY 33 1HA GLY 33 -9.686 8.104 2.220 242 HA3 GLY 33 2HA GLY 33 -10.409 6.872 3.244 243 H GLN 34 H GLN 34 -11.342 9.582 2.656 244 HA GLN 34 HA GLN 34 -10.895 11.422 4.667 245 HB2 GLN 34 1HB GLN 34 -13.640 10.968 3.532 246 HB3 GLN 34 2HB GLN 34 -12.884 12.485 4.001 247 HG2 GLN 34 1HG GLN 34 -11.196 11.830 2.083 248 HG3 GLN 34 2HG GLN 34 -12.582 10.901 1.513 249 HE21 GLN 34 1HE2 GLN 34 -11.435 14.107 2.335 250 HE22 GLN 34 2HE2 GLN 34 -12.600 14.972 1.397 251 H LYS 35 H LYS 35 -12.874 8.535 4.701 252 HA LYS 35 HA LYS 35 -13.698 9.138 7.460 253 HB2 LYS 35 1HB LYS 35 -14.832 6.984 5.678 254 HB3 LYS 35 2HB LYS 35 -15.514 7.615 7.170 255 HG2 LYS 35 1HG LYS 35 -16.096 9.668 6.144 256 HG3 LYS 35 2HG LYS 35 -15.149 9.290 4.702 257 HD2 LYS 35 1HD LYS 35 -17.243 8.762 3.945 258 HD3 LYS 35 2HD LYS 35 -16.765 7.202 4.618 259 HE2 LYS 35 1HE LYS 35 -19.021 7.773 5.313 260 HE3 LYS 35 2HE LYS 35 -17.935 7.753 6.701 261 HZ1 LYS 35 1HZ LYS 35 -18.526 9.823 7.147 262 HZ2 LYS 35 2HZ LYS 35 -19.569 9.841 5.815 263 HZ3 LYS 35 3HZ LYS 35 -17.963 10.342 5.638 264 H GLY 36 H GLY 36 -12.917 6.232 5.531 265 HA2 GLY 36 1HA GLY 36 -10.729 5.204 6.534 266 HA3 GLY 36 2HA GLY 36 -11.765 5.024 7.942 267 H SER 37 H SER 37 -12.753 4.648 4.579 268 HA SER 37 HA SER 37 -13.558 1.901 5.201 269 HB2 SER 37 1HB SER 37 -14.968 2.065 3.191 270 HB3 SER 37 2HB SER 37 -15.294 3.393 4.302 271 HG SER 37 HG SER 37 -14.344 3.457 1.753 272 H GLY 38 H GLY 38 -11.836 3.759 2.706 273 HA2 GLY 38 1HA GLY 38 -11.113 1.972 0.857 274 HA3 GLY 38 2HA GLY 38 -9.945 3.108 1.516 275 H ILE 39 H ILE 39 -8.851 2.392 3.565 276 HA ILE 39 HA ILE 39 -7.487 0.002 3.157 277 HB ILE 39 HB ILE 39 -7.841 1.586 5.702 278 HG12 ILE 39 1HG1 ILE 39 -5.570 1.463 3.705 279 HG13 ILE 39 2HG1 ILE 39 -6.734 2.775 3.846 280 HG21 ILE 39 1HG2 ILE 39 -5.451 0.172 5.848 281 HG22 ILE 39 2HG2 ILE 39 -6.922 -0.133 6.772 282 HG23 ILE 39 3HG2 ILE 39 -6.633 -1.000 5.264 283 HD11 ILE 39 1HD1 ILE 39 -4.902 3.589 4.980 284 HD12 ILE 39 2HD1 ILE 39 -5.889 2.928 6.285 285 HD13 ILE 39 3HD1 ILE 39 -4.505 2.019 5.678 286 H ARG 40 H ARG 40 -10.185 0.703 5.356 287 HA ARG 40 HA ARG 40 -10.433 -1.572 6.790 288 HB2 ARG 40 1HB ARG 40 -12.031 0.526 6.471 289 HB3 ARG 40 2HB ARG 40 -12.923 -0.606 5.464 290 HG2 ARG 40 1HG ARG 40 -13.950 -0.975 7.456 291 HG3 ARG 40 2HG ARG 40 -12.649 -2.162 7.576 292 HD2 ARG 40 1HD ARG 40 -12.400 -1.148 9.599 293 HD3 ARG 40 2HD ARG 40 -11.368 -0.098 8.630 294 HE ARG 40 HE ARG 40 -12.796 1.606 9.105 295 HH11 ARG 40 1HH1 ARG 40 -14.537 -1.395 9.402 296 HH12 ARG 40 2HH1 ARG 40 -16.002 -0.643 9.940 297 HH21 ARG 40 1HH2 ARG 40 -14.720 2.608 9.813 298 HH22 ARG 40 2HH2 ARG 40 -16.105 1.634 10.173 299 H LYS 41 H LYS 41 -11.755 -1.151 3.507 300 HA LYS 41 HA LYS 41 -12.884 -3.591 3.072 301 HB2 LYS 41 1HB LYS 41 -12.976 -1.870 1.389 302 HB3 LYS 41 2HB LYS 41 -11.233 -1.930 1.164 303 HG2 LYS 41 1HG LYS 41 -12.028 -3.098 -0.660 304 HG3 LYS 41 2HG LYS 41 -11.634 -4.386 0.482 305 HD2 LYS 41 1HD LYS 41 -13.971 -4.533 1.147 306 HD3 LYS 41 2HD LYS 41 -14.380 -3.204 0.058 307 HE2 LYS 41 1HE LYS 41 -14.968 -5.172 -1.096 308 HE3 LYS 41 2HE LYS 41 -13.446 -4.642 -1.811 309 HZ1 LYS 41 1HZ LYS 41 -14.002 -6.976 -0.142 310 HZ2 LYS 41 2HZ LYS 41 -12.488 -6.242 0.025 311 HZ3 LYS 41 3HZ LYS 41 -12.982 -6.825 -1.483 312 H MET 42 H MET 42 -9.444 -2.793 2.642 313 HA MET 42 HA MET 42 -8.676 -5.422 1.894 314 HB2 MET 42 1HB MET 42 -6.915 -3.297 3.120 315 HB3 MET 42 2HB MET 42 -6.409 -4.648 2.114 316 HG2 MET 42 1HG MET 42 -8.062 -3.497 0.394 317 HG3 MET 42 2HG MET 42 -7.662 -2.075 1.354 318 HE1 MET 42 1HE MET 42 -4.993 -2.255 2.308 319 HE2 MET 42 2HE MET 42 -4.434 -3.865 1.856 320 HE3 MET 42 3HE MET 42 -3.667 -2.437 1.159 321 H MET 43 H MET 43 -8.856 -3.713 4.965 322 HA MET 43 HA MET 43 -7.466 -5.623 6.515 323 HB2 MET 43 1HB MET 43 -9.402 -3.420 7.139 324 HB3 MET 43 2HB MET 43 -8.909 -4.539 8.404 325 HG2 MET 43 1HG MET 43 -6.506 -3.938 7.655 326 HG3 MET 43 2HG MET 43 -7.276 -2.539 6.908 327 HE1 MET 43 1HE MET 43 -8.406 -0.318 9.622 328 HE2 MET 43 2HE MET 43 -8.600 -0.887 7.965 329 HE3 MET 43 3HE MET 43 -9.582 -1.581 9.255 330 H ASP 44 H ASP 44 -10.813 -5.328 5.508 331 HA ASP 44 HA ASP 44 -11.666 -7.533 7.186 332 HB2 ASP 44 1HB ASP 44 -13.002 -5.580 5.382 333 HB3 ASP 44 2HB ASP 44 -13.806 -7.126 5.641 334 H GLU 45 H GLU 45 -11.010 -6.901 3.781 335 HA GLU 45 HA GLU 45 -11.932 -9.402 2.814 336 HB2 GLU 45 1HB GLU 45 -11.760 -7.752 1.174 337 HB3 GLU 45 2HB GLU 45 -10.165 -7.244 1.713 338 HG2 GLU 45 1HG GLU 45 -9.093 -8.885 0.558 339 HG3 GLU 45 2HG GLU 45 -10.457 -9.998 0.654 340 H PHE 46 H PHE 46 -8.681 -8.189 3.595 341 HA PHE 46 HA PHE 46 -7.562 -10.852 3.246 342 HB2 PHE 46 1HB PHE 46 -6.180 -8.298 4.092 343 HB3 PHE 46 2HB PHE 46 -5.401 -9.791 3.580 344 HD1 PHE 46 1HD PHE 46 -6.396 -10.631 1.183 345 HD2 PHE 46 2HD PHE 46 -6.150 -6.609 2.557 346 HE1 PHE 46 1HE PHE 46 -6.406 -9.838 -1.146 347 HE2 PHE 46 2HE PHE 46 -6.161 -5.811 0.229 348 HZ PHE 46 HZ PHE 46 -6.290 -7.425 -1.625 349 H GLU 47 H GLU 47 -9.338 -9.641 5.570 350 HA GLU 47 HA GLU 47 -9.494 -9.821 7.846 351 HB2 GLU 47 1HB GLU 47 -8.155 -12.397 7.038 352 HB3 GLU 47 2HB GLU 47 -8.673 -12.089 8.690 353 HG2 GLU 47 1HG GLU 47 -10.978 -11.675 7.779 354 HG3 GLU 47 2HG GLU 47 -10.388 -12.277 6.231 355 H VAL 48 H VAL 48 -7.154 -8.389 6.879 356 HA VAL 48 HA VAL 48 -5.276 -8.942 9.084 357 HB VAL 48 HB VAL 48 -3.493 -8.021 7.786 358 HG11 VAL 48 1HG1 VAL 48 -4.623 -9.567 5.580 359 HG12 VAL 48 2HG1 VAL 48 -3.183 -9.867 6.557 360 HG13 VAL 48 3HG1 VAL 48 -4.771 -10.358 7.150 361 HG21 VAL 48 1HG2 VAL 48 -5.702 -7.001 6.107 362 HG22 VAL 48 2HG2 VAL 48 -4.166 -6.250 6.539 363 HG23 VAL 48 3HG2 VAL 48 -4.224 -7.473 5.270 364 H ASN 49 H ASN 49 -3.922 -6.822 9.519 365 HA ASN 49 HA ASN 49 -5.758 -4.527 9.634 366 HB2 ASN 49 1HB ASN 49 -4.256 -5.833 11.879 367 HB3 ASN 49 2HB ASN 49 -4.611 -4.110 11.946 368 HD21 ASN 49 1HD2 ASN 49 -5.995 -4.288 13.672 369 HD22 ASN 49 2HD2 ASN 49 -7.555 -5.022 13.553 370 H ILE 50 H ILE 50 -4.859 -2.940 8.508 371 HA ILE 50 HA ILE 50 -2.009 -2.807 8.093 372 HB ILE 50 HB ILE 50 -4.226 -0.964 7.199 373 HG12 ILE 50 1HG1 ILE 50 -2.578 -2.923 5.593 374 HG13 ILE 50 2HG1 ILE 50 -4.169 -3.293 6.247 375 HG21 ILE 50 1HG2 ILE 50 -1.271 -0.832 6.883 376 HG22 ILE 50 2HG2 ILE 50 -2.288 -0.315 5.539 377 HG23 ILE 50 3HG2 ILE 50 -2.443 0.466 7.111 378 HD11 ILE 50 1HD1 ILE 50 -3.634 -2.230 3.774 379 HD12 ILE 50 2HD1 ILE 50 -5.198 -2.232 4.590 380 HD13 ILE 50 3HD1 ILE 50 -4.138 -0.829 4.716 381 H HIS 51 H HIS 51 -0.636 -1.117 8.711 382 HA HIS 51 HA HIS 51 -1.660 0.679 10.803 383 HB2 HIS 51 1HB HIS 51 -0.475 -1.192 11.875 384 HB3 HIS 51 2HB HIS 51 0.953 -0.845 10.906 385 HD1 HIS 51 1HD HIS 51 0.492 -0.688 14.147 386 HD2 HIS 51 2HD HIS 51 0.982 2.437 11.453 387 HE1 HIS 51 1HE HIS 51 1.335 1.250 15.511 388 H VAL 52 H VAL 52 -1.479 2.665 10.004 389 HA VAL 52 HA VAL 52 0.830 3.322 8.309 390 HB VAL 52 HB VAL 52 -1.713 4.906 8.696 391 HG11 VAL 52 1HG1 VAL 52 0.403 6.111 7.987 392 HG12 VAL 52 2HG1 VAL 52 0.318 5.173 6.495 393 HG13 VAL 52 3HG1 VAL 52 -0.990 6.277 6.920 394 HG21 VAL 52 1HG2 VAL 52 -2.602 3.946 6.786 395 HG22 VAL 52 2HG2 VAL 52 -1.033 3.382 6.212 396 HG23 VAL 52 3HG2 VAL 52 -1.821 2.569 7.565 397 HA PRO 53 HA PRO 53 2.598 5.641 11.630 398 HB2 PRO 53 1HB PRO 53 4.404 7.043 10.165 399 HB3 PRO 53 2HB PRO 53 4.607 5.333 10.559 400 HG2 PRO 53 1HG PRO 53 3.605 6.588 8.033 401 HG3 PRO 53 2HG PRO 53 4.727 5.230 8.240 402 HD2 PRO 53 1HD PRO 53 2.112 4.879 7.633 403 HD3 PRO 53 2HD PRO 53 3.029 3.718 8.616 404 H ALA 54 H ALA 54 2.295 7.605 12.571 405 HA ALA 54 HA ALA 54 0.361 9.367 11.531 406 HB1 ALA 54 1HB ALA 54 1.559 10.857 13.449 407 HB2 ALA 54 2HB ALA 54 0.341 9.620 13.764 408 HB3 ALA 54 3HB ALA 54 2.053 9.234 13.927 409 HA PRO 55 HA PRO 55 2.572 12.292 9.120 410 HB2 PRO 55 1HB PRO 55 1.511 14.663 9.906 411 HB3 PRO 55 2HB PRO 55 0.620 13.489 8.930 412 HG2 PRO 55 1HG PRO 55 0.486 13.990 11.877 413 HG3 PRO 55 2HG PRO 55 -0.835 13.705 10.730 414 HD2 PRO 55 1HD PRO 55 0.120 11.768 12.362 415 HD3 PRO 55 2HD PRO 55 -0.523 11.421 10.744 416 H GLU 56 H GLU 56 2.645 12.649 12.581 417 HA GLU 56 HA GLU 56 4.681 14.677 12.606 418 HB2 GLU 56 1HB GLU 56 4.781 14.155 15.053 419 HB3 GLU 56 2HB GLU 56 3.185 14.607 14.471 420 HG2 GLU 56 1HG GLU 56 2.331 12.499 14.745 421 HG3 GLU 56 2HG GLU 56 3.908 11.724 14.602 422 H LEU 57 H LEU 57 4.641 11.321 12.146 423 HA LEU 57 HA LEU 57 7.321 10.876 13.172 424 HB2 LEU 57 1HB LEU 57 5.428 9.052 11.696 425 HB3 LEU 57 2HB LEU 57 6.985 8.568 12.366 426 HG LEU 57 HG LEU 57 4.714 9.625 14.042 427 HD11 LEU 57 1HD1 LEU 57 4.236 7.471 12.754 428 HD12 LEU 57 2HD1 LEU 57 4.025 7.440 14.503 429 HD13 LEU 57 3HD1 LEU 57 5.468 6.734 13.777 430 HD21 LEU 57 1HD2 LEU 57 7.311 8.231 14.664 431 HD22 LEU 57 2HD2 LEU 57 6.009 8.443 15.835 432 HD23 LEU 57 3HD2 LEU 57 6.813 9.854 15.144 433 H GLN 58 H GLN 58 5.726 11.518 10.157 434 HA GLN 58 HA GLN 58 6.485 11.846 8.038 435 HB2 GLN 58 1HB GLN 58 9.160 12.246 9.386 436 HB3 GLN 58 2HB GLN 58 8.707 12.802 7.781 437 HG2 GLN 58 1HG GLN 58 6.896 14.161 8.924 438 HG3 GLN 58 2HG GLN 58 7.721 13.788 10.436 439 HE21 GLN 58 1HE2 GLN 58 7.881 15.512 7.429 440 HE22 GLN 58 2HE2 GLN 58 9.223 16.519 7.841 441 H SER 59 H SER 59 6.209 9.220 8.648 442 HA SER 59 HA SER 59 8.596 7.946 7.480 443 HB2 SER 59 1HB SER 59 7.614 7.287 9.846 444 HB3 SER 59 2HB SER 59 6.484 6.347 8.870 445 HG SER 59 HG SER 59 8.305 5.107 9.394 446 H ASP 60 H ASP 60 8.331 6.421 5.830 447 HA ASP 60 HA ASP 60 5.717 6.528 4.473 448 HB2 ASP 60 1HB ASP 60 8.389 6.103 3.132 449 HB3 ASP 60 2HB ASP 60 6.840 6.426 2.360 450 H ILE 61 H ILE 61 6.766 4.593 6.483 451 HA ILE 61 HA ILE 61 6.615 2.154 4.834 452 HB ILE 61 HB ILE 61 7.802 2.222 7.593 453 HG12 ILE 61 1HG1 ILE 61 8.982 3.841 6.060 454 HG13 ILE 61 2HG1 ILE 61 9.992 2.540 6.681 455 HG21 ILE 61 1HG2 ILE 61 7.592 0.021 7.139 456 HG22 ILE 61 2HG2 ILE 61 7.547 0.275 5.394 457 HG23 ILE 61 3HG2 ILE 61 9.090 0.285 6.248 458 HD11 ILE 61 1HD1 ILE 61 8.731 2.628 3.951 459 HD12 ILE 61 2HD1 ILE 61 10.420 2.977 4.326 460 HD13 ILE 61 3HD1 ILE 61 9.778 1.353 4.574 461 H ILE 62 H ILE 62 4.728 1.159 5.010 462 HA ILE 62 HA ILE 62 3.080 1.587 7.385 463 HB ILE 62 HB ILE 62 2.496 0.481 4.653 464 HG12 ILE 62 1HG1 ILE 62 1.118 2.666 6.218 465 HG13 ILE 62 2HG1 ILE 62 2.481 2.966 5.146 466 HG21 ILE 62 1HG2 ILE 62 1.377 -1.008 6.181 467 HG22 ILE 62 2HG2 ILE 62 0.723 0.356 7.086 468 HG23 ILE 62 3HG2 ILE 62 0.185 0.055 5.434 469 HD11 ILE 62 1HD1 ILE 62 0.982 1.724 3.400 470 HD12 ILE 62 2HD1 ILE 62 -0.315 2.208 4.493 471 HD13 ILE 62 3HD1 ILE 62 0.727 3.429 3.765 472 H ALA 63 H ALA 63 2.390 -0.034 8.730 473 HA ALA 63 HA ALA 63 3.775 -2.614 8.429 474 HB1 ALA 63 1HB ALA 63 3.906 -0.908 10.528 475 HB2 ALA 63 2HB ALA 63 2.598 -1.973 11.043 476 HB3 ALA 63 3HB ALA 63 4.178 -2.647 10.640 477 H ILE 64 H ILE 64 2.608 -4.388 8.082 478 HA ILE 64 HA ILE 64 -0.301 -4.248 8.528 479 HB ILE 64 HB ILE 64 1.112 -6.073 6.588 480 HG12 ILE 64 1HG1 ILE 64 -0.273 -3.436 6.047 481 HG13 ILE 64 2HG1 ILE 64 1.460 -3.725 5.944 482 HG21 ILE 64 1HG2 ILE 64 -0.870 -7.045 6.376 483 HG22 ILE 64 2HG2 ILE 64 -1.539 -5.961 7.595 484 HG23 ILE 64 3HG2 ILE 64 -1.578 -5.504 5.892 485 HD11 ILE 64 1HD1 ILE 64 -0.687 -4.398 4.059 486 HD12 ILE 64 2HD1 ILE 64 1.006 -3.999 3.766 487 HD13 ILE 64 3HD1 ILE 64 0.558 -5.628 4.271 488 H THR 65 H THR 65 -1.267 -5.754 9.766 489 HA THR 65 HA THR 65 0.451 -7.853 10.911 490 HB THR 65 HB THR 65 -2.093 -6.735 12.099 491 HG1 THR 65 1HG THR 65 0.584 -5.924 12.275 492 HG21 THR 65 1HG2 THR 65 0.054 -8.177 13.602 493 HG22 THR 65 2HG2 THR 65 -1.142 -9.096 12.687 494 HG23 THR 65 3HG2 THR 65 -1.661 -8.013 13.977 495 H GLY 66 H GLY 66 -0.106 -9.954 10.733 496 HA2 GLY 66 1HA GLY 66 -2.538 -11.149 10.589 497 HA3 GLY 66 2HA GLY 66 -2.256 -10.634 8.932 498 H LEU 67 H LEU 67 -2.578 -13.271 9.388 499 HA LEU 67 HA LEU 67 -0.253 -14.731 9.986 500 HB2 LEU 67 1HB LEU 67 -2.646 -15.404 8.287 501 HB3 LEU 67 2HB LEU 67 -1.374 -16.560 8.675 502 HG LEU 67 HG LEU 67 -3.199 -15.211 10.664 503 HD11 LEU 67 1HD1 LEU 67 -3.121 -18.055 9.663 504 HD12 LEU 67 2HD1 LEU 67 -4.363 -16.856 9.295 505 HD13 LEU 67 3HD1 LEU 67 -4.161 -17.438 10.948 506 HD21 LEU 67 1HD2 LEU 67 -1.775 -15.838 12.243 507 HD22 LEU 67 2HD2 LEU 67 -0.654 -16.405 11.004 508 HD23 LEU 67 3HD2 LEU 67 -1.856 -17.506 11.678 509 H ALA 68 H ALA 68 1.407 -15.504 8.750 510 HA ALA 68 HA ALA 68 2.579 -14.112 6.789 511 HB1 ALA 68 1HB ALA 68 2.521 -17.113 7.048 512 HB2 ALA 68 2HB ALA 68 3.636 -16.232 6.002 513 HB3 ALA 68 3HB ALA 68 3.692 -15.995 7.748 514 H ALA 69 H ALA 69 -0.152 -16.252 6.367 515 HA ALA 69 HA ALA 69 -0.048 -16.240 3.496 516 HB1 ALA 69 1HB ALA 69 -1.153 -18.115 4.096 517 HB2 ALA 69 2HB ALA 69 -1.804 -17.392 5.568 518 HB3 ALA 69 3HB ALA 69 -2.557 -17.049 4.010 519 H ASN 70 H ASN 70 -1.999 -14.601 5.967 520 HA ASN 70 HA ASN 70 -3.608 -13.168 4.114 521 HB2 ASN 70 1HB ASN 70 -3.039 -12.308 6.949 522 HB3 ASN 70 2HB ASN 70 -4.491 -12.020 5.994 523 HD21 ASN 70 1HD2 ASN 70 -4.591 -13.082 8.534 524 HD22 ASN 70 2HD2 ASN 70 -5.131 -14.721 8.445 525 H LEU 71 H LEU 71 -0.497 -12.605 5.569 526 HA LEU 71 HA LEU 71 -0.335 -9.821 5.073 527 HB2 LEU 71 1HB LEU 71 1.942 -11.785 5.248 528 HB3 LEU 71 2HB LEU 71 2.017 -10.044 5.513 529 HG LEU 71 HG LEU 71 0.413 -11.887 7.270 530 HD11 LEU 71 1HD1 LEU 71 2.840 -10.941 8.476 531 HD12 LEU 71 2HD1 LEU 71 3.201 -11.871 7.022 532 HD13 LEU 71 3HD1 LEU 71 2.239 -12.592 8.312 533 HD21 LEU 71 1HD2 LEU 71 1.092 -9.014 7.224 534 HD22 LEU 71 2HD2 LEU 71 1.153 -9.808 8.798 535 HD23 LEU 71 3HD2 LEU 71 -0.336 -9.836 7.852 536 H ASP 72 H ASP 72 0.252 -12.652 3.128 537 HA ASP 72 HA ASP 72 1.732 -11.348 1.072 538 HB2 ASP 72 1HB ASP 72 0.428 -14.000 1.422 539 HB3 ASP 72 2HB ASP 72 0.758 -13.471 -0.225 540 H ARG 73 H ARG 73 -1.603 -12.623 1.063 541 HA ARG 73 HA ARG 73 -2.379 -11.411 -1.333 542 HB2 ARG 73 1HB ARG 73 -4.704 -11.784 -0.534 543 HB3 ARG 73 2HB ARG 73 -3.680 -13.206 -0.384 544 HG2 ARG 73 1HG ARG 73 -3.381 -12.730 2.000 545 HG3 ARG 73 2HG ARG 73 -4.432 -11.322 1.841 546 HD2 ARG 73 1HD ARG 73 -6.142 -13.019 0.886 547 HD3 ARG 73 2HD ARG 73 -5.119 -14.230 1.657 548 HE ARG 73 HE ARG 73 -5.635 -12.318 3.579 549 HH11 ARG 73 1HH1 ARG 73 -7.480 -14.524 1.618 550 HH12 ARG 73 2HH1 ARG 73 -8.748 -14.707 2.784 551 HH21 ARG 73 1HH2 ARG 73 -7.298 -12.550 5.124 552 HH22 ARG 73 2HH2 ARG 73 -8.643 -13.583 4.778 553 H ALA 74 H ALA 74 -2.206 -10.167 1.916 554 HA ALA 74 HA ALA 74 -3.786 -7.824 1.380 555 HB1 ALA 74 1HB ALA 74 -3.130 -7.108 3.607 556 HB2 ALA 74 2HB ALA 74 -3.653 -8.793 3.630 557 HB3 ALA 74 3HB ALA 74 -1.934 -8.401 3.690 558 H LYS 75 H LYS 75 -0.320 -8.406 1.983 559 HA LYS 75 HA LYS 75 0.563 -5.797 1.541 560 HB2 LYS 75 1HB LYS 75 1.909 -7.666 2.524 561 HB3 LYS 75 2HB LYS 75 2.084 -8.331 0.905 562 HG2 LYS 75 1HG LYS 75 3.137 -6.143 0.242 563 HG3 LYS 75 2HG LYS 75 3.162 -5.730 1.957 564 HD2 LYS 75 1HD LYS 75 4.524 -7.695 2.425 565 HD3 LYS 75 2HD LYS 75 4.466 -8.157 0.722 566 HE2 LYS 75 1HE LYS 75 5.433 -5.738 0.372 567 HE3 LYS 75 2HE LYS 75 5.951 -5.936 2.045 568 HZ1 LYS 75 1HZ LYS 75 6.598 -8.272 0.658 569 HZ2 LYS 75 2HZ LYS 75 7.652 -7.133 1.330 570 HZ3 LYS 75 3HZ LYS 75 7.138 -6.967 -0.274 571 H ALA 76 H ALA 76 -0.255 -8.342 -0.706 572 HA ALA 76 HA ALA 76 0.987 -7.292 -3.006 573 HB1 ALA 76 1HB ALA 76 -0.612 -9.513 -2.380 574 HB2 ALA 76 2HB ALA 76 -1.441 -8.655 -3.680 575 HB3 ALA 76 3HB ALA 76 0.230 -9.178 -3.893 576 H GLY 77 H GLY 77 -2.240 -6.808 -1.625 577 HA2 GLY 77 1HA GLY 77 -3.311 -5.277 -3.728 578 HA3 GLY 77 2HA GLY 77 -3.860 -5.242 -2.059 579 H LEU 78 H LEU 78 -1.801 -4.199 -0.685 580 HA LEU 78 HA LEU 78 -2.011 -1.464 -1.110 581 HB2 LEU 78 1HB LEU 78 -1.209 -2.794 0.951 582 HB3 LEU 78 2HB LEU 78 0.386 -2.685 0.210 583 HG LEU 78 HG LEU 78 0.217 -0.221 0.285 584 HD11 LEU 78 1HD1 LEU 78 -1.556 0.757 1.736 585 HD12 LEU 78 2HD1 LEU 78 -2.371 -0.806 1.710 586 HD13 LEU 78 3HD1 LEU 78 -2.151 0.096 0.212 587 HD21 LEU 78 1HD2 LEU 78 1.105 -1.778 2.175 588 HD22 LEU 78 2HD2 LEU 78 -0.318 -1.213 3.053 589 HD23 LEU 78 3HD2 LEU 78 0.887 -0.056 2.486 590 H LEU 79 H LEU 79 0.856 -3.500 -1.726 591 HA LEU 79 HA LEU 79 2.494 -1.658 -2.909 592 HB2 LEU 79 1HB LEU 79 2.100 -4.565 -3.583 593 HB3 LEU 79 2HB LEU 79 3.403 -3.585 -4.253 594 HG LEU 79 HG LEU 79 3.006 -4.132 -1.313 595 HD11 LEU 79 1HD1 LEU 79 3.695 -6.034 -3.034 596 HD12 LEU 79 2HD1 LEU 79 4.423 -5.902 -1.433 597 HD13 LEU 79 3HD1 LEU 79 5.274 -5.271 -2.843 598 HD21 LEU 79 1HD2 LEU 79 4.167 -2.053 -1.720 599 HD22 LEU 79 2HD2 LEU 79 5.256 -2.847 -2.857 600 HD23 LEU 79 3HD2 LEU 79 5.311 -3.266 -1.144 601 H GLU 80 H GLU 80 0.165 -3.741 -4.629 602 HA GLU 80 HA GLU 80 0.555 -2.600 -7.163 603 HB2 GLU 80 1HB GLU 80 -1.626 -4.220 -5.909 604 HB3 GLU 80 2HB GLU 80 -1.891 -3.499 -7.490 605 HG2 GLU 80 1HG GLU 80 0.296 -4.621 -8.174 606 HG3 GLU 80 2HG GLU 80 0.130 -5.560 -6.692 607 H ARG 81 H ARG 81 -1.317 -1.575 -4.427 608 HA ARG 81 HA ARG 81 -3.052 0.206 -5.806 609 HB2 ARG 81 1HB ARG 81 -3.194 -0.775 -3.383 610 HB3 ARG 81 2HB ARG 81 -2.231 0.634 -2.957 611 HG2 ARG 81 1HG ARG 81 -4.420 1.313 -2.582 612 HG3 ARG 81 2HG ARG 81 -4.033 1.994 -4.163 613 HD2 ARG 81 1HD ARG 81 -5.064 -0.156 -5.116 614 HD3 ARG 81 2HD ARG 81 -5.743 -0.382 -3.505 615 HE ARG 81 HE ARG 81 -6.297 2.218 -4.515 616 HH11 ARG 81 1HH1 ARG 81 -7.267 -1.117 -4.731 617 HH12 ARG 81 2HH1 ARG 81 -8.892 -0.749 -5.207 618 HH21 ARG 81 1HH2 ARG 81 -8.433 2.716 -5.141 619 HH22 ARG 81 2HH2 ARG 81 -9.554 1.432 -5.441 620 H VAL 82 H VAL 82 0.082 0.577 -4.217 621 HA VAL 82 HA VAL 82 0.231 3.397 -4.485 622 HB VAL 82 HB VAL 82 2.440 1.360 -4.171 623 HG11 VAL 82 1HG1 VAL 82 2.677 4.022 -4.940 624 HG12 VAL 82 2HG1 VAL 82 3.028 4.021 -3.211 625 HG13 VAL 82 3HG1 VAL 82 3.953 2.987 -4.300 626 HG21 VAL 82 1HG2 VAL 82 2.215 2.800 -1.835 627 HG22 VAL 82 2HG2 VAL 82 0.537 2.580 -2.335 628 HG23 VAL 82 3HG2 VAL 82 1.582 1.177 -2.114 629 H LYS 83 H LYS 83 1.507 0.718 -6.432 630 HA LYS 83 HA LYS 83 2.915 2.238 -8.308 631 HB2 LYS 83 1HB LYS 83 1.683 -0.489 -8.329 632 HB3 LYS 83 2HB LYS 83 2.308 0.180 -9.830 633 HG2 LYS 83 1HG LYS 83 4.502 0.286 -8.994 634 HG3 LYS 83 2HG LYS 83 3.964 0.036 -7.332 635 HD2 LYS 83 1HD LYS 83 3.387 -2.057 -9.379 636 HD3 LYS 83 2HD LYS 83 5.017 -1.933 -8.712 637 HE2 LYS 83 1HE LYS 83 4.221 -2.292 -6.497 638 HE3 LYS 83 2HE LYS 83 2.541 -2.129 -7.009 639 HZ1 LYS 83 1HZ LYS 83 3.598 -4.153 -8.549 640 HZ2 LYS 83 2HZ LYS 83 2.523 -4.318 -7.253 641 HZ3 LYS 83 3HZ LYS 83 4.190 -4.438 -6.990 642 H GLU 84 H GLU 84 -0.481 1.284 -8.185 643 HA GLU 84 HA GLU 84 -1.091 2.386 -10.767 644 HB2 GLU 84 1HB GLU 84 -2.388 0.516 -9.882 645 HB3 GLU 84 2HB GLU 84 -2.902 1.497 -8.516 646 HG2 GLU 84 1HG GLU 84 -4.733 1.628 -9.881 647 HG3 GLU 84 2HG GLU 84 -3.846 3.076 -10.357 648 H LEU 85 H LEU 85 -1.852 3.321 -7.415 649 HA LEU 85 HA LEU 85 -3.226 5.664 -7.924 650 HB2 LEU 85 1HB LEU 85 -1.430 4.856 -5.658 651 HB3 LEU 85 2HB LEU 85 -2.262 6.409 -5.675 652 HG LEU 85 HG LEU 85 -3.737 3.798 -5.897 653 HD11 LEU 85 1HD1 LEU 85 -2.476 3.702 -3.838 654 HD12 LEU 85 2HD1 LEU 85 -4.177 3.998 -3.483 655 HD13 LEU 85 3HD1 LEU 85 -3.015 5.321 -3.397 656 HD21 LEU 85 1HD2 LEU 85 -4.817 5.974 -6.560 657 HD22 LEU 85 2HD2 LEU 85 -4.658 6.477 -4.878 658 HD23 LEU 85 3HD2 LEU 85 -5.643 5.072 -5.289 659 H GLN 86 H GLN 86 0.264 5.343 -7.260 660 HA GLN 86 HA GLN 86 0.984 7.991 -7.611 661 HB2 GLN 86 1HB GLN 86 3.217 7.246 -7.844 662 HB3 GLN 86 2HB GLN 86 2.432 6.071 -6.797 663 HG2 GLN 86 1HG GLN 86 2.214 4.520 -8.629 664 HG3 GLN 86 2HG GLN 86 2.868 5.710 -9.753 665 HE21 GLN 86 1HE2 GLN 86 3.948 4.915 -6.490 666 HE22 GLN 86 2HE2 GLN 86 5.525 4.379 -6.949 667 H ALA 87 H ALA 87 0.424 5.492 -10.014 668 HA ALA 87 HA ALA 87 1.493 6.831 -12.245 669 HB1 ALA 87 1HB ALA 87 -0.823 5.174 -12.851 670 HB2 ALA 87 2HB ALA 87 0.858 5.003 -13.358 671 HB3 ALA 87 3HB ALA 87 0.341 4.375 -11.793 672 H GLU 88 H GLU 88 -1.421 7.295 -10.465 673 HA GLU 88 HA GLU 88 -2.719 8.782 -12.601 674 HB2 GLU 88 1HB GLU 88 -3.610 8.398 -9.739 675 HB3 GLU 88 2HB GLU 88 -4.584 9.010 -11.067 676 HG2 GLU 88 1HG GLU 88 -3.379 6.263 -11.093 677 HG3 GLU 88 2HG GLU 88 -4.956 6.603 -10.383 678 H GLN 89 H GLN 89 -2.220 9.593 -9.170 679 HA GLN 89 HA GLN 89 -2.447 12.296 -9.307 680 HB2 GLN 89 1HB GLN 89 -1.081 12.443 -7.307 681 HB3 GLN 89 2HB GLN 89 -2.118 11.025 -7.217 682 HG2 GLN 89 1HG GLN 89 -0.379 9.565 -7.369 683 HG3 GLN 89 2HG GLN 89 0.618 10.677 -8.308 684 HE21 GLN 89 1HE2 GLN 89 1.361 9.125 -5.993 685 HE22 GLN 89 2HE2 GLN 89 1.867 10.250 -4.784 686 H GLU 90 H GLU 90 0.191 10.365 -10.469 687 HA GLU 90 HA GLU 90 1.898 12.690 -10.880 688 HB2 GLU 90 1HB GLU 90 2.676 10.329 -10.137 689 HB3 GLU 90 2HB GLU 90 2.518 9.912 -11.837 690 HG2 GLU 90 1HG GLU 90 4.267 11.250 -12.472 691 HG3 GLU 90 2HG GLU 90 4.098 12.318 -11.079 692 H ASP 91 H ASP 91 0.204 10.230 -12.790 693 HA ASP 91 HA ASP 91 0.968 10.802 -15.330 694 HB2 ASP 91 1HB ASP 91 -0.581 9.117 -15.311 695 HB3 ASP 91 2HB ASP 91 -1.606 9.925 -14.129 696 H ARG 92 H ARG 92 -1.406 12.611 -13.419 697 HA ARG 92 HA ARG 92 -2.107 14.441 -15.455 698 HB2 ARG 92 1HB ARG 92 -2.941 15.845 -13.535 699 HB3 ARG 92 2HB ARG 92 -3.582 14.209 -13.599 700 HG2 ARG 92 1HG ARG 92 -2.239 13.502 -11.799 701 HG3 ARG 92 2HG ARG 92 -1.232 14.948 -11.885 702 HD2 ARG 92 1HD ARG 92 -2.566 15.523 -10.128 703 HD3 ARG 92 2HD ARG 92 -3.547 16.148 -11.455 704 HE ARG 92 HE ARG 92 -4.143 13.880 -9.758 705 HH11 ARG 92 1HH1 ARG 92 -4.847 15.575 -12.717 706 HH12 ARG 92 2HH1 ARG 92 -6.425 14.885 -12.891 707 HH21 ARG 92 1HH2 ARG 92 -6.221 12.964 -9.975 708 HH22 ARG 92 2HH2 ARG 92 -7.207 13.400 -11.330 709 H ALA 93 H ALA 93 0.506 14.323 -13.149 710 HA ALA 93 HA ALA 93 1.309 17.056 -13.511 711 HB1 ALA 93 1HB ALA 93 3.501 15.862 -12.462 712 HB2 ALA 93 2HB ALA 93 2.136 16.447 -11.510 713 HB3 ALA 93 3HB ALA 93 2.235 14.743 -11.954 714 H LEU 94 H LEU 94 2.506 13.908 -14.645 715 HA LEU 94 HA LEU 94 4.686 14.899 -16.121 716 HB2 LEU 94 1HB LEU 94 4.372 12.538 -15.460 717 HB3 LEU 94 2HB LEU 94 3.068 12.409 -16.639 718 HG LEU 94 HG LEU 94 4.764 12.950 -18.416 719 HD11 LEU 94 1HD1 LEU 94 7.014 13.054 -17.985 720 HD12 LEU 94 2HD1 LEU 94 6.879 12.156 -16.474 721 HD13 LEU 94 3HD1 LEU 94 6.366 13.843 -16.546 722 HD21 LEU 94 1HD2 LEU 94 5.335 10.732 -18.687 723 HD22 LEU 94 2HD2 LEU 94 3.955 10.617 -17.594 724 HD23 LEU 94 3HD2 LEU 94 5.596 10.477 -16.962 725 H ARG 95 H ARG 95 1.537 13.733 -17.336 726 HA ARG 95 HA ARG 95 0.551 14.051 -19.391 727 HB2 ARG 95 1HB ARG 95 -0.018 16.424 -19.779 728 HB3 ARG 95 2HB ARG 95 -0.274 15.936 -18.108 729 HG2 ARG 95 1HG ARG 95 1.915 16.955 -17.532 730 HG3 ARG 95 2HG ARG 95 2.024 17.549 -19.191 731 HD2 ARG 95 1HD ARG 95 -0.381 18.497 -18.615 732 HD3 ARG 95 2HD ARG 95 0.246 18.408 -16.969 733 HE ARG 95 HE ARG 95 2.214 19.689 -18.303 734 HH11 ARG 95 1HH1 ARG 95 -1.219 20.200 -18.052 735 HH12 ARG 95 2HH1 ARG 95 -1.111 21.917 -18.259 736 HH21 ARG 95 1HH2 ARG 95 2.371 21.948 -18.577 737 HH22 ARG 95 2HH2 ARG 95 0.931 22.910 -18.559 738 H SER 96 H SER 96 3.312 13.466 -19.667 739 HA SER 96 HA SER 96 4.549 15.295 -21.477 740 HB2 SER 96 1HB SER 96 6.195 13.472 -21.825 741 HB3 SER 96 2HB SER 96 5.907 13.794 -20.116 742 HG SER 96 HG SER 96 5.108 11.603 -21.678 743 H PHE 97 H PHE 97 2.986 15.642 -23.098 744 HA PHE 97 HA PHE 97 1.699 15.158 -24.946 745 HB2 PHE 97 1HB PHE 97 3.145 14.024 -26.738 746 HB3 PHE 97 2HB PHE 97 3.741 15.534 -26.056 747 HD1 PHE 97 2HD PHE 97 4.224 11.915 -26.238 748 HD2 PHE 97 1HD PHE 97 5.691 15.576 -24.640 749 HE1 PHE 97 2HE PHE 97 6.335 10.803 -25.639 750 HE2 PHE 97 1HE PHE 97 7.805 14.471 -24.039 751 HZ PHE 97 HZ PHE 97 8.129 12.081 -24.538 752 H LYS 98 H LYS 98 1.125 13.342 -22.889 753 HA LYS 98 HA LYS 98 1.217 10.643 -23.774 754 HB2 LYS 98 1HB LYS 98 0.808 11.644 -21.389 755 HB3 LYS 98 2HB LYS 98 -0.880 11.651 -21.884 756 HG2 LYS 98 1HG LYS 98 -0.767 9.615 -20.875 757 HG3 LYS 98 2HG LYS 98 -0.356 9.155 -22.529 758 HD2 LYS 98 1HD LYS 98 2.019 9.235 -21.971 759 HD3 LYS 98 2HD LYS 98 1.624 9.736 -20.325 760 HE2 LYS 98 1HE LYS 98 0.691 7.154 -21.565 761 HE3 LYS 98 2HE LYS 98 2.156 7.301 -20.594 762 HZ1 LYS 98 1HZ LYS 98 0.983 7.528 -18.691 763 HZ2 LYS 98 2HZ LYS 98 -0.175 6.649 -19.556 764 HZ3 LYS 98 3HZ LYS 98 -0.310 8.331 -19.428 765 H SER 99 H SER 99 0.184 9.889 -25.494 766 HA SER 99 HA SER 99 -2.417 11.058 -26.213 767 HB2 SER 99 1HB SER 99 -0.560 11.145 -27.912 768 HB3 SER 99 2HB SER 99 -0.612 9.384 -27.971 769 HG SER 99 HG SER 99 -2.026 9.822 -29.494 770 H GLY 100 H GLY 100 -2.310 9.201 -24.114 771 HA2 GLY 100 1HA GLY 100 -3.256 7.237 -23.390 772 HA3 GLY 100 2HA GLY 100 -4.350 7.445 -24.750 773 HA PRO 101 HA PRO 101 -0.703 4.706 -26.371 774 HB2 PRO 101 1HB PRO 101 1.062 3.813 -24.512 775 HB3 PRO 101 2HB PRO 101 1.284 5.325 -25.399 776 HG2 PRO 101 1HG PRO 101 0.219 4.889 -22.635 777 HG3 PRO 101 2HG PRO 101 1.354 6.121 -23.215 778 HD2 PRO 101 1HD PRO 101 -1.271 6.639 -22.801 779 HD3 PRO 101 2HD PRO 101 -0.326 7.449 -24.068 780 H SER 102 H SER 102 -2.266 4.192 -23.313 781 HA SER 102 HA SER 102 -3.136 1.572 -24.138 782 HB2 SER 102 1HB SER 102 -2.268 0.374 -22.189 783 HB3 SER 102 2HB SER 102 -0.940 1.065 -23.120 784 HG SER 102 HG SER 102 -2.029 2.575 -21.034 785 H SER 103 H SER 103 -4.669 0.620 -22.540 786 HA SER 103 HA SER 103 -6.177 2.777 -21.235 787 HB2 SER 103 1HB SER 103 -7.115 0.031 -22.102 788 HB3 SER 103 2HB SER 103 -8.129 1.299 -21.413 789 HG SER 103 HG SER 103 -6.720 1.390 -23.875 790 H GLY 104 H GLY 104 -6.973 2.540 -19.136 791 HA2 GLY 104 1HA GLY 104 -5.765 0.326 -17.593 792 HA3 GLY 104 2HA GLY 104 -5.803 1.978 -16.996 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -17.348 -37.177 -15.302 2 HA2 GLY 1 1HA GLY 1 -15.560 -35.264 -16.664 3 HA3 GLY 1 2HA GLY 1 -16.602 -34.743 -15.347 4 H SER 2 H SER 2 -13.572 -35.010 -15.810 5 HA SER 2 HA SER 2 -12.999 -35.917 -13.112 6 HB2 SER 2 1HB SER 2 -12.786 -37.944 -14.588 7 HB3 SER 2 2HB SER 2 -11.491 -37.110 -15.447 8 HG SER 2 HG SER 2 -11.520 -38.212 -12.891 9 H SER 3 H SER 3 -11.905 -34.281 -12.273 10 HA SER 3 HA SER 3 -10.200 -32.643 -13.993 11 HB2 SER 3 1HB SER 3 -10.323 -30.959 -12.320 12 HB3 SER 3 2HB SER 3 -11.946 -31.639 -12.425 13 HG SER 3 HG SER 3 -10.708 -31.354 -10.259 14 H GLY 4 H GLY 4 -8.240 -31.692 -12.612 15 HA2 GLY 4 1HA GLY 4 -6.950 -33.544 -10.849 16 HA3 GLY 4 2HA GLY 4 -6.285 -33.615 -12.475 17 H SER 5 H SER 5 -6.018 -32.163 -9.498 18 HA SER 5 HA SER 5 -4.032 -30.316 -10.473 19 HB2 SER 5 1HB SER 5 -6.681 -29.388 -9.462 20 HB3 SER 5 2HB SER 5 -5.251 -28.470 -8.992 21 HG SER 5 HG SER 5 -6.127 -27.672 -10.929 22 H SER 6 H SER 6 -2.490 -29.874 -8.966 23 HA SER 6 HA SER 6 -2.995 -30.731 -6.200 24 HB2 SER 6 1HB SER 6 -0.857 -31.860 -6.089 25 HB3 SER 6 2HB SER 6 -1.766 -32.513 -7.453 26 HG SER 6 HG SER 6 -0.305 -31.765 -8.771 27 H GLY 7 H GLY 7 -1.845 -29.628 -4.602 28 HA2 GLY 7 1HA GLY 7 0.261 -27.843 -4.995 29 HA3 GLY 7 2HA GLY 7 -1.229 -26.928 -5.175 30 H LYS 8 H LYS 8 -0.287 -29.567 -2.979 31 HA LYS 8 HA LYS 8 -1.628 -28.464 -0.759 32 HB2 LYS 8 1HB LYS 8 0.531 -30.556 -0.992 33 HB3 LYS 8 2HB LYS 8 -0.189 -30.111 0.550 34 HG2 LYS 8 1HG LYS 8 -2.259 -30.995 -0.017 35 HG3 LYS 8 2HG LYS 8 -1.908 -30.963 -1.747 36 HD2 LYS 8 1HD LYS 8 -1.788 -33.234 -1.085 37 HD3 LYS 8 2HD LYS 8 -0.121 -32.691 -1.290 38 HE2 LYS 8 1HE LYS 8 -0.249 -33.979 0.723 39 HE3 LYS 8 2HE LYS 8 -0.022 -32.288 1.165 40 HZ1 LYS 8 1HZ LYS 8 -2.157 -32.112 1.950 41 HZ2 LYS 8 2HZ LYS 8 -1.798 -33.709 2.373 42 HZ3 LYS 8 3HZ LYS 8 -2.744 -33.388 1.008 43 H GLU 9 H GLU 9 -0.827 -27.452 1.109 44 HA GLU 9 HA GLU 9 1.830 -26.216 0.817 45 HB2 GLU 9 1HB GLU 9 0.974 -24.160 1.768 46 HB3 GLU 9 2HB GLU 9 0.017 -24.596 0.359 47 HG2 GLU 9 1HG GLU 9 -1.835 -25.149 1.618 48 HG3 GLU 9 2HG GLU 9 -0.888 -25.414 3.081 49 H ALA 10 H ALA 10 3.048 -25.951 2.676 50 HA ALA 10 HA ALA 10 2.001 -27.308 5.076 51 HB1 ALA 10 1HB ALA 10 4.538 -27.693 5.505 52 HB2 ALA 10 2HB ALA 10 3.672 -28.734 4.375 53 HB3 ALA 10 3HB ALA 10 4.683 -27.423 3.768 54 H LEU 11 H LEU 11 1.290 -25.484 6.148 55 HA LEU 11 HA LEU 11 3.413 -23.756 7.185 56 HB2 LEU 11 1HB LEU 11 2.471 -22.447 5.428 57 HB3 LEU 11 2HB LEU 11 0.831 -22.829 5.948 58 HG LEU 11 HG LEU 11 2.646 -21.325 7.785 59 HD11 LEU 11 1HD1 LEU 11 1.398 -20.315 5.275 60 HD12 LEU 11 2HD1 LEU 11 2.947 -19.903 6.010 61 HD13 LEU 11 3HD1 LEU 11 1.451 -19.267 6.693 62 HD21 LEU 11 1HD2 LEU 11 0.278 -20.242 8.140 63 HD22 LEU 11 2HD2 LEU 11 0.689 -21.788 8.881 64 HD23 LEU 11 3HD2 LEU 11 -0.278 -21.746 7.406 65 H GLU 12 H GLU 12 3.283 -23.439 9.322 66 HA GLU 12 HA GLU 12 0.722 -23.978 10.665 67 HB2 GLU 12 1HB GLU 12 2.003 -25.960 11.017 68 HB3 GLU 12 2HB GLU 12 3.447 -25.037 11.403 69 HG2 GLU 12 1HG GLU 12 2.670 -24.453 13.508 70 HG3 GLU 12 2HG GLU 12 0.992 -24.795 13.089 71 H ALA 13 H ALA 13 0.092 -22.255 11.765 72 HA ALA 13 HA ALA 13 1.761 -20.889 13.606 73 HB1 ALA 13 1HB ALA 13 1.636 -18.645 12.462 74 HB2 ALA 13 2HB ALA 13 2.758 -19.807 11.753 75 HB3 ALA 13 3HB ALA 13 1.195 -19.513 10.992 76 H LEU 14 H LEU 14 0.550 -19.850 15.099 77 HA LEU 14 HA LEU 14 -2.339 -19.679 14.572 78 HB2 LEU 14 1HB LEU 14 -2.584 -19.704 17.032 79 HB3 LEU 14 2HB LEU 14 -1.830 -21.159 16.382 80 HG LEU 14 HG LEU 14 -0.119 -18.955 17.460 81 HD11 LEU 14 1HD1 LEU 14 -2.101 -19.903 19.023 82 HD12 LEU 14 2HD1 LEU 14 -0.523 -19.399 19.628 83 HD13 LEU 14 3HD1 LEU 14 -0.849 -21.106 19.330 84 HD21 LEU 14 1HD2 LEU 14 0.512 -21.757 17.991 85 HD22 LEU 14 2HD2 LEU 14 1.520 -20.472 17.325 86 HD23 LEU 14 3HD2 LEU 14 0.417 -21.363 16.275 87 H VAL 15 H VAL 15 0.423 -17.921 15.884 88 HA VAL 15 HA VAL 15 -1.207 -15.512 16.200 89 HB VAL 15 HB VAL 15 0.271 -16.013 18.051 90 HG11 VAL 15 1HG1 VAL 15 2.016 -16.923 16.103 91 HG12 VAL 15 2HG1 VAL 15 2.804 -15.481 16.747 92 HG13 VAL 15 3HG1 VAL 15 2.346 -16.794 17.831 93 HG21 VAL 15 1HG2 VAL 15 0.069 -13.742 18.001 94 HG22 VAL 15 2HG2 VAL 15 1.812 -13.874 17.774 95 HG23 VAL 15 3HG2 VAL 15 0.760 -13.602 16.385 96 HA PRO 16 HA PRO 16 0.103 -13.901 12.302 97 HB2 PRO 16 1HB PRO 16 -0.589 -11.310 12.725 98 HB3 PRO 16 2HB PRO 16 -1.774 -12.580 12.400 99 HG2 PRO 16 1HG PRO 16 -0.953 -11.380 15.016 100 HG3 PRO 16 2HG PRO 16 -2.578 -11.787 14.433 101 HD2 PRO 16 1HD PRO 16 -1.208 -13.371 16.149 102 HD3 PRO 16 2HD PRO 16 -2.339 -14.021 14.946 103 H VAL 17 H VAL 17 1.298 -11.763 11.579 104 HA VAL 17 HA VAL 17 3.412 -11.027 13.455 105 HB VAL 17 HB VAL 17 5.075 -11.331 11.497 106 HG11 VAL 17 1HG1 VAL 17 5.549 -13.639 12.202 107 HG12 VAL 17 2HG1 VAL 17 5.203 -12.584 13.573 108 HG13 VAL 17 3HG1 VAL 17 3.975 -13.710 12.992 109 HG21 VAL 17 1HG2 VAL 17 4.278 -12.205 9.617 110 HG22 VAL 17 2HG2 VAL 17 3.915 -13.694 10.489 111 HG23 VAL 17 3HG2 VAL 17 2.693 -12.431 10.354 112 H THR 18 H THR 18 4.632 -9.152 12.785 113 HA THR 18 HA THR 18 3.014 -7.362 11.124 114 HB THR 18 HB THR 18 5.313 -6.646 12.953 115 HG1 THR 18 1HG THR 18 3.828 -7.164 14.404 116 HG21 THR 18 1HG2 THR 18 4.911 -4.965 11.253 117 HG22 THR 18 2HG2 THR 18 4.335 -4.375 12.811 118 HG23 THR 18 3HG2 THR 18 3.186 -4.971 11.614 119 H ILE 19 H ILE 19 3.696 -6.585 9.220 120 HA ILE 19 HA ILE 19 6.463 -7.193 8.407 121 HB ILE 19 HB ILE 19 5.614 -7.224 6.068 122 HG12 ILE 19 1HG1 ILE 19 2.871 -7.318 7.334 123 HG13 ILE 19 2HG1 ILE 19 3.550 -5.871 6.596 124 HG21 ILE 19 1HG2 ILE 19 3.953 -9.302 7.260 125 HG22 ILE 19 2HG2 ILE 19 5.374 -9.439 6.226 126 HG23 ILE 19 3HG2 ILE 19 5.568 -9.208 7.963 127 HD11 ILE 19 1HD1 ILE 19 1.963 -7.379 5.230 128 HD12 ILE 19 2HD1 ILE 19 3.420 -6.743 4.465 129 HD13 ILE 19 3HD1 ILE 19 3.379 -8.411 5.038 130 H GLU 20 H GLU 20 6.814 -5.754 6.214 131 HA GLU 20 HA GLU 20 6.083 -2.985 6.867 132 HB2 GLU 20 1HB GLU 20 8.805 -4.160 6.604 133 HB3 GLU 20 2HB GLU 20 8.548 -2.549 5.948 134 HG2 GLU 20 1HG GLU 20 7.696 -1.832 8.156 135 HG3 GLU 20 2HG GLU 20 8.095 -3.428 8.790 136 H VAL 21 H VAL 21 5.435 -1.814 5.168 137 HA VAL 21 HA VAL 21 6.009 -2.849 2.468 138 HB VAL 21 HB VAL 21 3.481 -1.353 3.022 139 HG11 VAL 21 1HG1 VAL 21 3.738 -1.667 0.754 140 HG12 VAL 21 2HG1 VAL 21 4.520 -3.236 0.952 141 HG13 VAL 21 3HG1 VAL 21 2.780 -3.080 1.195 142 HG21 VAL 21 1HG2 VAL 21 4.154 -3.999 4.056 143 HG22 VAL 21 2HG2 VAL 21 2.828 -2.919 4.485 144 HG23 VAL 21 3HG2 VAL 21 2.685 -3.974 3.080 145 H GLU 22 H GLU 22 6.631 -1.396 0.949 146 HA GLU 22 HA GLU 22 7.413 1.219 1.853 147 HB2 GLU 22 1HB GLU 22 7.664 -0.204 -0.794 148 HB3 GLU 22 2HB GLU 22 8.213 1.448 -0.548 149 HG2 GLU 22 1HG GLU 22 9.978 0.824 0.746 150 HG3 GLU 22 2HG GLU 22 9.172 -0.626 1.342 151 H VAL 23 H VAL 23 6.066 2.881 1.912 152 HA VAL 23 HA VAL 23 4.401 3.496 -0.374 153 HB VAL 23 HB VAL 23 3.149 3.043 2.338 154 HG11 VAL 23 1HG1 VAL 23 1.248 3.464 0.262 155 HG12 VAL 23 2HG1 VAL 23 1.514 4.414 1.726 156 HG13 VAL 23 3HG1 VAL 23 2.400 4.798 0.249 157 HG21 VAL 23 1HG2 VAL 23 1.768 1.382 1.034 158 HG22 VAL 23 2HG2 VAL 23 2.937 1.563 -0.275 159 HG23 VAL 23 3HG2 VAL 23 3.457 0.938 1.290 160 HA PRO 24 HA PRO 24 5.818 7.473 1.012 161 HB2 PRO 24 1HB PRO 24 4.568 8.921 -0.916 162 HB3 PRO 24 2HB PRO 24 6.041 7.991 -1.216 163 HG2 PRO 24 1HG PRO 24 3.195 7.273 -1.802 164 HG3 PRO 24 2HG PRO 24 4.635 7.051 -2.812 165 HD2 PRO 24 1HD PRO 24 3.542 5.036 -1.371 166 HD3 PRO 24 2HD PRO 24 5.286 5.148 -1.686 167 H PHE 25 H PHE 25 5.024 8.876 2.462 168 HA PHE 25 HA PHE 25 2.472 8.625 3.553 169 HB2 PHE 25 1HB PHE 25 4.514 9.670 4.631 170 HB3 PHE 25 2HB PHE 25 4.162 11.122 3.699 171 HD1 PHE 25 1HD PHE 25 1.983 12.305 4.075 172 HD2 PHE 25 2HD PHE 25 3.377 9.197 6.627 173 HE1 PHE 25 1HE PHE 25 0.432 13.056 5.830 174 HE2 PHE 25 2HE PHE 25 1.827 9.942 8.386 175 HZ PHE 25 HZ PHE 25 0.351 11.873 7.989 176 H ASP 26 H ASP 26 3.524 10.319 0.769 177 HA ASP 26 HA ASP 26 1.514 12.315 0.662 178 HB2 ASP 26 1HB ASP 26 3.336 11.080 -1.388 179 HB3 ASP 26 2HB ASP 26 2.098 12.241 -1.858 180 H LEU 27 H LEU 27 1.480 8.944 0.087 181 HA LEU 27 HA LEU 27 -0.981 9.095 -1.493 182 HB2 LEU 27 1HB LEU 27 0.906 6.853 -0.831 183 HB3 LEU 27 2HB LEU 27 -0.667 6.570 -1.573 184 HG LEU 27 HG LEU 27 1.612 8.149 -2.764 185 HD11 LEU 27 1HD1 LEU 27 2.240 6.300 -3.842 186 HD12 LEU 27 2HD1 LEU 27 0.577 5.841 -4.205 187 HD13 LEU 27 3HD1 LEU 27 1.285 5.425 -2.644 188 HD21 LEU 27 1HD2 LEU 27 -1.246 7.863 -3.490 189 HD22 LEU 27 2HD2 LEU 27 -0.068 7.799 -4.801 190 HD23 LEU 27 3HD2 LEU 27 -0.139 9.211 -3.745 191 H HIS 28 H HIS 28 0.223 8.195 1.652 192 HA HIS 28 HA HIS 28 -1.660 6.575 2.722 193 HB2 HIS 28 1HB HIS 28 -0.418 9.023 3.987 194 HB3 HIS 28 2HB HIS 28 -1.335 7.816 4.885 195 HD2 HIS 28 2HD HIS 28 1.015 6.307 2.248 196 HE1 HIS 28 1HE HIS 28 2.953 5.983 6.007 197 HE2 HIS 28 2HE HIS 28 3.035 5.371 3.565 198 H ARG 29 H ARG 29 -1.960 10.126 2.581 199 HA ARG 29 HA ARG 29 -4.405 10.505 3.700 200 HB2 ARG 29 1HB ARG 29 -4.680 12.456 2.239 201 HB3 ARG 29 2HB ARG 29 -3.034 12.337 2.846 202 HG2 ARG 29 1HG ARG 29 -2.602 11.089 0.595 203 HG3 ARG 29 2HG ARG 29 -4.071 11.923 0.085 204 HD2 ARG 29 1HD ARG 29 -1.661 13.281 1.283 205 HD3 ARG 29 2HD ARG 29 -1.973 13.150 -0.447 206 HE ARG 29 HE ARG 29 -4.146 14.328 1.006 207 HH11 ARG 29 1HH1 ARG 29 -1.084 14.944 -0.533 208 HH12 ARG 29 2HH1 ARG 29 -1.418 16.620 -0.822 209 HH21 ARG 29 1HH2 ARG 29 -4.598 16.532 0.631 210 HH22 ARG 29 2HH2 ARG 29 -3.417 17.522 -0.159 211 H TYR 30 H TYR 30 -3.736 9.209 0.503 212 HA TYR 30 HA TYR 30 -6.547 9.115 -0.200 213 HB2 TYR 30 1HB TYR 30 -4.161 7.972 -1.668 214 HB3 TYR 30 2HB TYR 30 -5.787 8.167 -2.313 215 HD1 TYR 30 2HD TYR 30 -6.540 10.847 -1.531 216 HD2 TYR 30 1HD TYR 30 -2.759 9.395 -2.834 217 HE1 TYR 30 2HE TYR 30 -5.956 13.099 -2.330 218 HE2 TYR 30 1HE TYR 30 -2.164 11.644 -3.635 219 HH TYR 30 HH TYR 30 -3.615 13.756 -4.434 220 H VAL 31 H VAL 31 -3.973 6.876 0.712 221 HA VAL 31 HA VAL 31 -5.288 4.462 0.277 222 HB VAL 31 HB VAL 31 -3.305 5.129 2.456 223 HG11 VAL 31 1HG1 VAL 31 -2.837 2.604 2.193 224 HG12 VAL 31 2HG1 VAL 31 -4.236 3.111 3.140 225 HG13 VAL 31 3HG1 VAL 31 -4.451 2.536 1.486 226 HG21 VAL 31 1HG2 VAL 31 -2.887 3.942 -0.286 227 HG22 VAL 31 2HG2 VAL 31 -2.471 5.585 0.199 228 HG23 VAL 31 3HG2 VAL 31 -1.638 4.214 0.928 229 H ILE 32 H ILE 32 -5.222 6.484 3.199 230 HA ILE 32 HA ILE 32 -6.955 4.782 4.689 231 HB ILE 32 HB ILE 32 -6.452 7.714 5.190 232 HG12 ILE 32 1HG1 ILE 32 -4.889 5.531 6.516 233 HG13 ILE 32 2HG1 ILE 32 -4.407 6.081 4.915 234 HG21 ILE 32 1HG2 ILE 32 -6.641 6.280 7.580 235 HG22 ILE 32 2HG2 ILE 32 -7.832 7.385 6.898 236 HG23 ILE 32 3HG2 ILE 32 -7.932 5.660 6.552 237 HD11 ILE 32 1HD1 ILE 32 -4.877 8.223 6.856 238 HD12 ILE 32 2HD1 ILE 32 -3.532 7.146 7.236 239 HD13 ILE 32 3HD1 ILE 32 -3.569 8.002 5.695 240 H GLY 33 H GLY 33 -7.434 7.475 2.514 241 HA2 GLY 33 1HA GLY 33 -9.387 8.080 1.416 242 HA3 GLY 33 2HA GLY 33 -10.257 6.890 2.372 243 H GLN 34 H GLN 34 -11.747 8.906 2.175 244 HA GLN 34 HA GLN 34 -11.440 11.274 3.455 245 HB2 GLN 34 1HB GLN 34 -13.504 10.893 2.388 246 HB3 GLN 34 2HB GLN 34 -13.819 9.440 3.326 247 HG2 GLN 34 1HG GLN 34 -14.276 10.712 5.286 248 HG3 GLN 34 2HG GLN 34 -13.722 12.198 4.517 249 HE21 GLN 34 1HE2 GLN 34 -15.932 12.786 5.375 250 HE22 GLN 34 2HE2 GLN 34 -17.262 12.578 4.294 251 H LYS 35 H LYS 35 -12.681 8.347 5.074 252 HA LYS 35 HA LYS 35 -11.726 9.474 7.624 253 HB2 LYS 35 1HB LYS 35 -14.261 9.005 7.186 254 HB3 LYS 35 2HB LYS 35 -13.814 7.328 7.469 255 HG2 LYS 35 1HG LYS 35 -13.104 9.478 9.430 256 HG3 LYS 35 2HG LYS 35 -14.689 8.703 9.442 257 HD2 LYS 35 1HD LYS 35 -13.689 6.542 9.791 258 HD3 LYS 35 2HD LYS 35 -12.068 7.218 9.602 259 HE2 LYS 35 1HE LYS 35 -12.326 7.029 11.911 260 HE3 LYS 35 2HE LYS 35 -12.684 8.725 11.587 261 HZ1 LYS 35 1HZ LYS 35 -14.976 8.344 11.827 262 HZ2 LYS 35 2HZ LYS 35 -14.257 7.526 13.121 263 HZ3 LYS 35 3HZ LYS 35 -14.801 6.662 11.771 264 H GLY 36 H GLY 36 -12.540 6.256 6.298 265 HA2 GLY 36 1HA GLY 36 -9.969 5.182 6.415 266 HA3 GLY 36 2HA GLY 36 -10.727 4.877 7.972 267 H SER 37 H SER 37 -12.550 4.993 4.993 268 HA SER 37 HA SER 37 -13.377 2.239 5.424 269 HB2 SER 37 1HB SER 37 -15.135 2.685 3.842 270 HB3 SER 37 2HB SER 37 -15.027 4.072 4.927 271 HG SER 37 HG SER 37 -13.981 5.219 3.335 272 H GLY 38 H GLY 38 -11.252 4.031 3.406 273 HA2 GLY 38 1HA GLY 38 -11.212 2.287 1.161 274 HA3 GLY 38 2HA GLY 38 -9.976 3.465 1.579 275 H ILE 39 H ILE 39 -9.403 2.379 4.181 276 HA ILE 39 HA ILE 39 -7.636 0.245 3.346 277 HB ILE 39 HB ILE 39 -7.952 1.764 5.923 278 HG12 ILE 39 1HG1 ILE 39 -5.672 1.495 3.951 279 HG13 ILE 39 2HG1 ILE 39 -6.757 2.875 4.084 280 HG21 ILE 39 1HG2 ILE 39 -7.458 -0.456 6.627 281 HG22 ILE 39 2HG2 ILE 39 -6.229 -0.643 5.377 282 HG23 ILE 39 3HG2 ILE 39 -5.960 0.468 6.720 283 HD11 ILE 39 1HD1 ILE 39 -5.220 3.754 5.420 284 HD12 ILE 39 2HD1 ILE 39 -5.772 2.602 6.635 285 HD13 ILE 39 3HD1 ILE 39 -4.388 2.212 5.615 286 H ARG 40 H ARG 40 -10.235 0.667 5.737 287 HA ARG 40 HA ARG 40 -10.301 -1.748 6.966 288 HB2 ARG 40 1HB ARG 40 -12.482 0.092 6.067 289 HB3 ARG 40 2HB ARG 40 -12.911 -1.462 6.769 290 HG2 ARG 40 1HG ARG 40 -11.257 -0.703 8.662 291 HG3 ARG 40 2HG ARG 40 -11.630 0.904 8.033 292 HD2 ARG 40 1HD ARG 40 -14.092 0.154 8.215 293 HD3 ARG 40 2HD ARG 40 -13.468 -1.116 9.267 294 HE ARG 40 HE ARG 40 -13.277 0.443 10.914 295 HH11 ARG 40 1HH1 ARG 40 -13.271 2.081 7.842 296 HH12 ARG 40 2HH1 ARG 40 -13.248 3.667 8.542 297 HH21 ARG 40 1HH2 ARG 40 -13.246 2.524 11.846 298 HH22 ARG 40 2HH2 ARG 40 -13.233 3.917 10.818 299 H LYS 41 H LYS 41 -11.710 -1.022 3.788 300 HA LYS 41 HA LYS 41 -12.960 -3.355 3.162 301 HB2 LYS 41 1HB LYS 41 -13.051 -1.635 1.558 302 HB3 LYS 41 2HB LYS 41 -11.299 -1.509 1.466 303 HG2 LYS 41 1HG LYS 41 -11.112 -3.459 0.183 304 HG3 LYS 41 2HG LYS 41 -12.751 -3.980 0.582 305 HD2 LYS 41 1HD LYS 41 -13.379 -1.694 -0.591 306 HD3 LYS 41 2HD LYS 41 -11.820 -1.944 -1.382 307 HE2 LYS 41 1HE LYS 41 -13.399 -2.946 -2.804 308 HE3 LYS 41 2HE LYS 41 -12.652 -4.283 -1.931 309 HZ1 LYS 41 1HZ LYS 41 -15.357 -3.631 -2.074 310 HZ2 LYS 41 2HZ LYS 41 -14.872 -3.372 -0.474 311 HZ3 LYS 41 3HZ LYS 41 -14.635 -4.884 -1.195 312 H MET 42 H MET 42 -9.495 -2.708 2.621 313 HA MET 42 HA MET 42 -8.870 -5.307 1.727 314 HB2 MET 42 1HB MET 42 -7.019 -3.331 3.070 315 HB3 MET 42 2HB MET 42 -6.548 -4.675 2.039 316 HG2 MET 42 1HG MET 42 -8.121 -3.415 0.320 317 HG3 MET 42 2HG MET 42 -7.683 -2.036 1.324 318 HE1 MET 42 1HE MET 42 -5.094 -2.247 2.312 319 HE2 MET 42 2HE MET 42 -4.476 -3.837 1.866 320 HE3 MET 42 3HE MET 42 -3.737 -2.382 1.193 321 H MET 43 H MET 43 -8.987 -3.852 4.920 322 HA MET 43 HA MET 43 -7.657 -5.913 6.318 323 HB2 MET 43 1HB MET 43 -9.736 -3.937 7.272 324 HB3 MET 43 2HB MET 43 -8.771 -4.961 8.326 325 HG2 MET 43 1HG MET 43 -6.768 -3.839 7.072 326 HG3 MET 43 2HG MET 43 -7.962 -2.591 6.721 327 HE1 MET 43 1HE MET 43 -8.725 -0.877 8.179 328 HE2 MET 43 2HE MET 43 -9.694 -1.949 9.189 329 HE3 MET 43 3HE MET 43 -8.584 -0.799 9.935 330 H ASP 44 H ASP 44 -11.016 -5.430 5.389 331 HA ASP 44 HA ASP 44 -11.937 -7.733 6.866 332 HB2 ASP 44 1HB ASP 44 -13.184 -5.647 5.148 333 HB3 ASP 44 2HB ASP 44 -14.024 -7.190 5.285 334 H GLU 45 H GLU 45 -10.931 -6.986 3.609 335 HA GLU 45 HA GLU 45 -11.965 -9.376 2.427 336 HB2 GLU 45 1HB GLU 45 -11.653 -7.647 0.891 337 HB3 GLU 45 2HB GLU 45 -10.074 -7.225 1.540 338 HG2 GLU 45 1HG GLU 45 -8.995 -8.843 0.357 339 HG3 GLU 45 2HG GLU 45 -10.400 -9.905 0.312 340 H PHE 46 H PHE 46 -8.713 -8.319 3.409 341 HA PHE 46 HA PHE 46 -7.680 -11.009 2.998 342 HB2 PHE 46 1HB PHE 46 -6.246 -8.527 3.965 343 HB3 PHE 46 2HB PHE 46 -5.493 -10.039 3.472 344 HD1 PHE 46 1HD PHE 46 -6.184 -10.826 1.027 345 HD2 PHE 46 2HD PHE 46 -6.296 -6.814 2.445 346 HE1 PHE 46 1HE PHE 46 -6.053 -10.007 -1.290 347 HE2 PHE 46 2HE PHE 46 -6.166 -5.989 0.131 348 HZ PHE 46 HZ PHE 46 -6.045 -7.586 -1.740 349 H GLU 47 H GLU 47 -9.201 -9.339 5.438 350 HA GLU 47 HA GLU 47 -9.506 -9.697 7.664 351 HB2 GLU 47 1HB GLU 47 -8.279 -12.377 6.993 352 HB3 GLU 47 2HB GLU 47 -9.093 -11.995 8.503 353 HG2 GLU 47 1HG GLU 47 -11.182 -11.832 7.475 354 HG3 GLU 47 2HG GLU 47 -10.477 -11.694 5.865 355 H VAL 48 H VAL 48 -7.301 -8.200 7.084 356 HA VAL 48 HA VAL 48 -5.384 -9.079 9.142 357 HB VAL 48 HB VAL 48 -3.585 -7.955 7.899 358 HG11 VAL 48 1HG1 VAL 48 -3.692 -9.563 5.839 359 HG12 VAL 48 2HG1 VAL 48 -3.541 -10.217 7.472 360 HG13 VAL 48 3HG1 VAL 48 -5.111 -10.205 6.667 361 HG21 VAL 48 1HG2 VAL 48 -5.824 -7.342 6.020 362 HG22 VAL 48 2HG2 VAL 48 -4.529 -6.295 6.604 363 HG23 VAL 48 3HG2 VAL 48 -4.186 -7.532 5.394 364 H ASN 49 H ASN 49 -3.867 -6.938 9.510 365 HA ASN 49 HA ASN 49 -5.692 -4.679 9.977 366 HB2 ASN 49 1HB ASN 49 -3.791 -5.946 11.953 367 HB3 ASN 49 2HB ASN 49 -4.470 -4.338 12.176 368 HD21 ASN 49 1HD2 ASN 49 -6.665 -4.112 12.602 369 HD22 ASN 49 2HD2 ASN 49 -7.637 -5.441 13.128 370 H ILE 50 H ILE 50 -4.943 -2.892 9.069 371 HA ILE 50 HA ILE 50 -2.070 -2.689 8.492 372 HB ILE 50 HB ILE 50 -4.385 -1.137 7.325 373 HG12 ILE 50 1HG1 ILE 50 -2.605 -3.213 6.033 374 HG13 ILE 50 2HG1 ILE 50 -4.217 -3.546 6.657 375 HG21 ILE 50 1HG2 ILE 50 -1.578 -0.579 7.388 376 HG22 ILE 50 2HG2 ILE 50 -2.080 -0.907 5.730 377 HG23 ILE 50 3HG2 ILE 50 -2.884 0.357 6.660 378 HD11 ILE 50 1HD1 ILE 50 -4.265 -1.298 4.866 379 HD12 ILE 50 2HD1 ILE 50 -3.536 -2.708 4.096 380 HD13 ILE 50 3HD1 ILE 50 -5.153 -2.820 4.791 381 H HIS 51 H HIS 51 -0.827 -1.173 9.411 382 HA HIS 51 HA HIS 51 -2.154 0.921 11.006 383 HB2 HIS 51 1HB HIS 51 0.060 -0.943 11.698 384 HB3 HIS 51 2HB HIS 51 0.165 0.703 12.315 385 HD1 HIS 51 1HD HIS 51 -1.571 1.417 14.092 386 HD2 HIS 51 2HD HIS 51 -1.944 -2.528 12.839 387 HE1 HIS 51 1HE HIS 51 -3.120 0.329 15.748 388 H VAL 52 H VAL 52 -1.898 2.760 9.912 389 HA VAL 52 HA VAL 52 0.546 3.250 8.401 390 HB VAL 52 HB VAL 52 -1.977 4.896 8.638 391 HG11 VAL 52 1HG1 VAL 52 0.139 5.277 6.554 392 HG12 VAL 52 2HG1 VAL 52 -1.124 6.392 7.082 393 HG13 VAL 52 3HG1 VAL 52 0.265 6.074 8.122 394 HG21 VAL 52 1HG2 VAL 52 -2.638 4.025 6.571 395 HG22 VAL 52 2HG2 VAL 52 -1.029 3.395 6.218 396 HG23 VAL 52 3HG2 VAL 52 -2.027 2.623 7.450 397 HA PRO 53 HA PRO 53 2.417 5.666 11.582 398 HB2 PRO 53 1HB PRO 53 4.206 7.012 10.047 399 HB3 PRO 53 2HB PRO 53 4.396 5.307 10.470 400 HG2 PRO 53 1HG PRO 53 3.349 6.525 7.944 401 HG3 PRO 53 2HG PRO 53 4.458 5.157 8.151 402 HD2 PRO 53 1HD PRO 53 1.824 4.829 7.615 403 HD3 PRO 53 2HD PRO 53 2.749 3.677 8.599 404 H ALA 54 H ALA 54 1.983 7.576 12.524 405 HA ALA 54 HA ALA 54 0.123 9.369 11.444 406 HB1 ALA 54 1HB ALA 54 1.552 9.057 13.903 407 HB2 ALA 54 2HB ALA 54 1.570 10.752 13.417 408 HB3 ALA 54 3HB ALA 54 0.035 9.902 13.595 409 HA PRO 55 HA PRO 55 2.370 12.340 9.123 410 HB2 PRO 55 1HB PRO 55 1.472 14.728 10.053 411 HB3 PRO 55 2HB PRO 55 0.480 13.646 9.068 412 HG2 PRO 55 1HG PRO 55 0.495 14.023 12.037 413 HG3 PRO 55 2HG PRO 55 -0.886 13.859 10.937 414 HD2 PRO 55 1HD PRO 55 0.029 11.803 12.444 415 HD3 PRO 55 2HD PRO 55 -0.698 11.563 10.842 416 H GLU 56 H GLU 56 2.600 12.545 12.590 417 HA GLU 56 HA GLU 56 4.708 14.481 12.650 418 HB2 GLU 56 1HB GLU 56 4.895 13.911 15.016 419 HB3 GLU 56 2HB GLU 56 3.214 14.155 14.565 420 HG2 GLU 56 1HG GLU 56 3.230 11.565 14.241 421 HG3 GLU 56 2HG GLU 56 4.631 11.645 15.308 422 H LEU 57 H LEU 57 4.517 10.983 12.544 423 HA LEU 57 HA LEU 57 7.286 10.539 13.103 424 HB2 LEU 57 1HB LEU 57 5.235 8.742 11.817 425 HB3 LEU 57 2HB LEU 57 6.832 8.237 12.366 426 HG LEU 57 HG LEU 57 4.779 9.388 14.239 427 HD11 LEU 57 1HD1 LEU 57 4.961 6.683 13.063 428 HD12 LEU 57 2HD1 LEU 57 3.566 7.561 13.691 429 HD13 LEU 57 3HD1 LEU 57 4.689 6.779 14.803 430 HD21 LEU 57 1HD2 LEU 57 6.425 9.210 15.712 431 HD22 LEU 57 2HD2 LEU 57 7.500 8.573 14.468 432 HD23 LEU 57 3HD2 LEU 57 6.494 7.474 15.414 433 H GLN 58 H GLN 58 5.499 11.431 10.320 434 HA GLN 58 HA GLN 58 6.004 11.566 8.092 435 HB2 GLN 58 1HB GLN 58 8.628 12.310 9.386 436 HB3 GLN 58 2HB GLN 58 8.293 12.529 7.674 437 HG2 GLN 58 1HG GLN 58 6.256 13.884 8.466 438 HG3 GLN 58 2HG GLN 58 7.082 13.929 10.022 439 HE21 GLN 58 1HE2 GLN 58 7.409 16.131 9.967 440 HE22 GLN 58 2HE2 GLN 58 8.531 16.883 8.890 441 H SER 59 H SER 59 5.981 8.949 8.794 442 HA SER 59 HA SER 59 8.428 7.758 7.708 443 HB2 SER 59 1HB SER 59 7.168 6.979 9.881 444 HB3 SER 59 2HB SER 59 6.128 6.133 8.734 445 HG SER 59 HG SER 59 8.412 5.488 7.885 446 H ASP 60 H ASP 60 8.381 6.293 5.973 447 HA ASP 60 HA ASP 60 6.003 6.546 4.250 448 HB2 ASP 60 1HB ASP 60 8.853 6.058 3.362 449 HB3 ASP 60 2HB ASP 60 7.463 6.376 2.329 450 H ILE 61 H ILE 61 6.868 4.488 6.343 451 HA ILE 61 HA ILE 61 6.553 2.129 4.605 452 HB ILE 61 HB ILE 61 7.890 1.950 7.283 453 HG12 ILE 61 1HG1 ILE 61 9.060 3.674 5.864 454 HG13 ILE 61 2HG1 ILE 61 10.050 2.288 6.307 455 HG21 ILE 61 1HG2 ILE 61 7.545 -0.187 6.607 456 HG22 ILE 61 2HG2 ILE 61 7.525 0.238 4.896 457 HG23 ILE 61 3HG2 ILE 61 9.061 0.102 5.754 458 HD11 ILE 61 1HD1 ILE 61 9.549 1.313 4.072 459 HD12 ILE 61 2HD1 ILE 61 8.755 2.831 3.651 460 HD13 ILE 61 3HD1 ILE 61 10.477 2.812 4.028 461 H ILE 62 H ILE 62 4.720 1.068 4.925 462 HA ILE 62 HA ILE 62 3.176 1.588 7.351 463 HB ILE 62 HB ILE 62 2.457 0.383 4.691 464 HG12 ILE 62 1HG1 ILE 62 1.170 2.668 6.184 465 HG13 ILE 62 2HG1 ILE 62 2.533 2.899 5.095 466 HG21 ILE 62 1HG2 ILE 62 1.396 -0.973 6.422 467 HG22 ILE 62 2HG2 ILE 62 0.728 0.483 7.158 468 HG23 ILE 62 3HG2 ILE 62 0.204 -0.010 5.548 469 HD11 ILE 62 1HD1 ILE 62 1.286 2.520 3.235 470 HD12 ILE 62 2HD1 ILE 62 0.169 1.437 4.067 471 HD13 ILE 62 3HD1 ILE 62 0.041 3.181 4.294 472 H ALA 63 H ALA 63 2.518 0.009 8.765 473 HA ALA 63 HA ALA 63 3.902 -2.574 8.511 474 HB1 ALA 63 1HB ALA 63 3.364 -2.684 11.031 475 HB2 ALA 63 2HB ALA 63 4.645 -1.600 10.486 476 HB3 ALA 63 3HB ALA 63 3.052 -0.954 10.882 477 H ILE 64 H ILE 64 2.730 -4.322 8.101 478 HA ILE 64 HA ILE 64 -0.166 -4.226 8.634 479 HB ILE 64 HB ILE 64 1.215 -6.016 6.637 480 HG12 ILE 64 1HG1 ILE 64 -0.159 -3.357 6.190 481 HG13 ILE 64 2HG1 ILE 64 1.557 -3.690 5.979 482 HG21 ILE 64 1HG2 ILE 64 -0.814 -7.007 7.013 483 HG22 ILE 64 2HG2 ILE 64 -1.605 -5.486 7.420 484 HG23 ILE 64 3HG2 ILE 64 -1.255 -5.874 5.737 485 HD11 ILE 64 1HD1 ILE 64 -0.749 -4.444 4.267 486 HD12 ILE 64 2HD1 ILE 64 0.830 -3.796 3.822 487 HD13 ILE 64 3HD1 ILE 64 0.672 -5.488 4.291 488 H THR 65 H THR 65 -0.965 -5.592 10.084 489 HA THR 65 HA THR 65 0.762 -7.748 11.076 490 HB THR 65 HB THR 65 -1.712 -6.566 12.351 491 HG1 THR 65 1HG THR 65 -0.029 -5.066 12.387 492 HG21 THR 65 1HG2 THR 65 0.282 -8.065 13.934 493 HG22 THR 65 2HG2 THR 65 -0.707 -9.021 12.828 494 HG23 THR 65 3HG2 THR 65 -1.475 -8.028 14.066 495 H GLY 66 H GLY 66 0.187 -9.856 10.966 496 HA2 GLY 66 1HA GLY 66 -2.222 -11.073 10.913 497 HA3 GLY 66 2HA GLY 66 -2.039 -10.539 9.249 498 H LEU 67 H LEU 67 -2.309 -13.176 9.656 499 HA LEU 67 HA LEU 67 0.036 -14.638 10.134 500 HB2 LEU 67 1HB LEU 67 -2.350 -15.309 8.421 501 HB3 LEU 67 2HB LEU 67 -1.097 -16.458 8.888 502 HG LEU 67 HG LEU 67 -2.853 -15.011 10.865 503 HD11 LEU 67 1HD1 LEU 67 -3.198 -17.708 9.574 504 HD12 LEU 67 2HD1 LEU 67 -4.313 -16.344 9.536 505 HD13 LEU 67 3HD1 LEU 67 -4.030 -17.208 11.046 506 HD21 LEU 67 1HD2 LEU 67 -1.363 -17.576 11.284 507 HD22 LEU 67 2HD2 LEU 67 -1.967 -16.429 12.480 508 HD23 LEU 67 3HD2 LEU 67 -0.563 -16.019 11.494 509 H ALA 68 H ALA 68 1.711 -15.268 8.872 510 HA ALA 68 HA ALA 68 2.730 -13.809 6.858 511 HB1 ALA 68 1HB ALA 68 3.961 -15.618 7.897 512 HB2 ALA 68 2HB ALA 68 2.933 -16.808 7.097 513 HB3 ALA 68 3HB ALA 68 4.005 -15.786 6.142 514 H ALA 69 H ALA 69 0.150 -16.137 6.569 515 HA ALA 69 HA ALA 69 0.200 -16.273 3.706 516 HB1 ALA 69 1HB ALA 69 -0.801 -18.150 4.508 517 HB2 ALA 69 2HB ALA 69 -1.554 -17.307 5.863 518 HB3 ALA 69 3HB ALA 69 -2.241 -17.167 4.245 519 H ASN 70 H ASN 70 -1.795 -14.568 6.100 520 HA ASN 70 HA ASN 70 -3.461 -13.295 4.183 521 HB2 ASN 70 1HB ASN 70 -2.892 -12.318 6.984 522 HB3 ASN 70 2HB ASN 70 -4.333 -12.025 6.013 523 HD21 ASN 70 1HD2 ASN 70 -4.835 -12.913 8.410 524 HD22 ASN 70 2HD2 ASN 70 -5.261 -14.587 8.419 525 H LEU 71 H LEU 71 -0.406 -12.480 5.680 526 HA LEU 71 HA LEU 71 -0.334 -9.747 4.999 527 HB2 LEU 71 1HB LEU 71 2.033 -11.592 5.237 528 HB3 LEU 71 2HB LEU 71 2.011 -9.844 5.459 529 HG LEU 71 HG LEU 71 0.475 -11.689 7.265 530 HD11 LEU 71 1HD1 LEU 71 3.269 -11.651 6.991 531 HD12 LEU 71 2HD1 LEU 71 2.316 -12.394 8.275 532 HD13 LEU 71 3HD1 LEU 71 2.897 -10.739 8.454 533 HD21 LEU 71 1HD2 LEU 71 -0.265 -9.634 7.835 534 HD22 LEU 71 2HD2 LEU 71 1.143 -8.818 7.157 535 HD23 LEU 71 3HD2 LEU 71 1.244 -9.579 8.746 536 H ASP 72 H ASP 72 0.499 -12.658 3.229 537 HA ASP 72 HA ASP 72 1.891 -11.432 1.103 538 HB2 ASP 72 1HB ASP 72 0.556 -14.067 1.529 539 HB3 ASP 72 2HB ASP 72 0.973 -13.602 -0.119 540 H ARG 73 H ARG 73 -1.465 -12.644 1.214 541 HA ARG 73 HA ARG 73 -2.239 -11.581 -1.262 542 HB2 ARG 73 1HB ARG 73 -4.571 -11.853 -0.392 543 HB3 ARG 73 2HB ARG 73 -3.571 -13.292 -0.245 544 HG2 ARG 73 1HG ARG 73 -3.192 -12.791 2.115 545 HG3 ARG 73 2HG ARG 73 -4.196 -11.346 1.967 546 HD2 ARG 73 1HD ARG 73 -6.081 -12.815 1.260 547 HD3 ARG 73 2HD ARG 73 -5.063 -14.211 1.612 548 HE ARG 73 HE ARG 73 -5.283 -12.419 3.831 549 HH11 ARG 73 1HH1 ARG 73 -6.847 -15.027 2.137 550 HH12 ARG 73 2HH1 ARG 73 -7.732 -15.571 3.522 551 HH21 ARG 73 1HH2 ARG 73 -6.444 -13.125 5.663 552 HH22 ARG 73 2HH2 ARG 73 -7.502 -14.487 5.529 553 H ALA 74 H ALA 74 -2.422 -10.244 2.006 554 HA ALA 74 HA ALA 74 -3.858 -7.908 1.325 555 HB1 ALA 74 1HB ALA 74 -3.071 -7.045 3.498 556 HB2 ALA 74 2HB ALA 74 -3.742 -8.672 3.615 557 HB3 ALA 74 3HB ALA 74 -1.996 -8.435 3.637 558 H LYS 75 H LYS 75 -0.387 -8.299 2.067 559 HA LYS 75 HA LYS 75 0.474 -5.763 1.443 560 HB2 LYS 75 1HB LYS 75 1.831 -7.669 2.413 561 HB3 LYS 75 2HB LYS 75 2.025 -8.263 0.769 562 HG2 LYS 75 1HG LYS 75 3.054 -6.070 0.177 563 HG3 LYS 75 2HG LYS 75 3.007 -5.651 1.890 564 HD2 LYS 75 1HD LYS 75 4.414 -7.570 2.413 565 HD3 LYS 75 2HD LYS 75 4.430 -8.038 0.712 566 HE2 LYS 75 1HE LYS 75 5.573 -5.974 0.134 567 HE3 LYS 75 2HE LYS 75 5.495 -5.438 1.812 568 HZ1 LYS 75 1HZ LYS 75 7.600 -6.666 0.785 569 HZ2 LYS 75 2HZ LYS 75 6.747 -8.021 1.331 570 HZ3 LYS 75 3HZ LYS 75 7.174 -6.797 2.418 571 H ALA 76 H ALA 76 -0.248 -8.424 -0.733 572 HA ALA 76 HA ALA 76 0.871 -7.374 -3.080 573 HB1 ALA 76 1HB ALA 76 -1.224 -9.395 -2.471 574 HB2 ALA 76 2HB ALA 76 -1.083 -8.805 -4.128 575 HB3 ALA 76 3HB ALA 76 0.299 -9.571 -3.343 576 H GLY 77 H GLY 77 -2.254 -6.843 -1.538 577 HA2 GLY 77 1HA GLY 77 -3.437 -5.423 -3.696 578 HA3 GLY 77 2HA GLY 77 -3.974 -5.395 -2.023 579 H LEU 78 H LEU 78 -1.791 -4.330 -0.741 580 HA LEU 78 HA LEU 78 -2.138 -1.581 -1.158 581 HB2 LEU 78 1HB LEU 78 -1.346 -2.769 0.936 582 HB3 LEU 78 2HB LEU 78 0.245 -2.837 0.180 583 HG LEU 78 HG LEU 78 0.256 -0.356 0.096 584 HD11 LEU 78 1HD1 LEU 78 -1.565 0.839 0.505 585 HD12 LEU 78 2HD1 LEU 78 -1.749 0.094 2.091 586 HD13 LEU 78 3HD1 LEU 78 -2.474 -0.662 0.673 587 HD21 LEU 78 1HD2 LEU 78 0.113 -0.260 2.799 588 HD22 LEU 78 2HD2 LEU 78 1.490 -0.895 1.897 589 HD23 LEU 78 3HD2 LEU 78 0.269 -1.997 2.535 590 H LEU 79 H LEU 79 0.822 -3.499 -1.716 591 HA LEU 79 HA LEU 79 2.417 -1.679 -2.921 592 HB2 LEU 79 1HB LEU 79 1.990 -4.556 -3.699 593 HB3 LEU 79 2HB LEU 79 3.305 -3.563 -4.324 594 HG LEU 79 HG LEU 79 2.896 -4.223 -1.409 595 HD11 LEU 79 1HD1 LEU 79 5.250 -5.374 -2.491 596 HD12 LEU 79 2HD1 LEU 79 3.891 -5.849 -3.510 597 HD13 LEU 79 3HD1 LEU 79 3.854 -6.184 -1.779 598 HD21 LEU 79 1HD2 LEU 79 4.118 -2.244 -1.481 599 HD22 LEU 79 2HD2 LEU 79 4.980 -2.716 -2.946 600 HD23 LEU 79 3HD2 LEU 79 5.362 -3.493 -1.409 601 H GLU 80 H GLU 80 -0.032 -3.629 -4.620 602 HA GLU 80 HA GLU 80 0.356 -2.476 -7.152 603 HB2 GLU 80 1HB GLU 80 -1.838 -4.038 -5.861 604 HB3 GLU 80 2HB GLU 80 -2.160 -3.246 -7.397 605 HG2 GLU 80 1HG GLU 80 0.098 -4.438 -8.074 606 HG3 GLU 80 2HG GLU 80 -0.377 -5.530 -6.775 607 H ARG 81 H ARG 81 -1.518 -1.471 -4.381 608 HA ARG 81 HA ARG 81 -3.134 0.444 -5.707 609 HB2 ARG 81 1HB ARG 81 -3.275 -0.619 -3.286 610 HB3 ARG 81 2HB ARG 81 -2.347 0.810 -2.851 611 HG2 ARG 81 1HG ARG 81 -4.467 1.578 -2.517 612 HG3 ARG 81 2HG ARG 81 -4.229 2.047 -4.202 613 HD2 ARG 81 1HD ARG 81 -5.345 -0.049 -4.899 614 HD3 ARG 81 2HD ARG 81 -5.655 -0.414 -3.202 615 HE ARG 81 HE ARG 81 -7.025 1.527 -4.848 616 HH11 ARG 81 1HH1 ARG 81 -6.324 0.428 -1.619 617 HH12 ARG 81 2HH1 ARG 81 -7.716 1.184 -0.919 618 HH21 ARG 81 1HH2 ARG 81 -8.863 2.526 -3.937 619 HH22 ARG 81 2HH2 ARG 81 -9.161 2.376 -2.239 620 H VAL 82 H VAL 82 0.038 0.575 -4.187 621 HA VAL 82 HA VAL 82 0.308 3.409 -4.324 622 HB VAL 82 HB VAL 82 2.435 1.277 -4.082 623 HG11 VAL 82 1HG1 VAL 82 2.685 4.190 -3.371 624 HG12 VAL 82 2HG1 VAL 82 3.960 2.972 -3.453 625 HG13 VAL 82 3HG1 VAL 82 3.182 3.538 -4.932 626 HG21 VAL 82 1HG2 VAL 82 0.490 2.279 -2.236 627 HG22 VAL 82 2HG2 VAL 82 1.711 1.029 -1.995 628 HG23 VAL 82 3HG2 VAL 82 2.107 2.719 -1.687 629 H LYS 83 H LYS 83 1.239 0.732 -6.421 630 HA LYS 83 HA LYS 83 2.772 2.290 -8.237 631 HB2 LYS 83 1HB LYS 83 1.410 -0.388 -8.579 632 HB3 LYS 83 2HB LYS 83 2.515 0.320 -9.750 633 HG2 LYS 83 1HG LYS 83 4.340 0.181 -8.229 634 HG3 LYS 83 2HG LYS 83 3.270 -0.266 -6.897 635 HD2 LYS 83 1HD LYS 83 2.698 -2.346 -8.095 636 HD3 LYS 83 2HD LYS 83 3.838 -1.904 -9.369 637 HE2 LYS 83 1HE LYS 83 5.688 -2.147 -7.950 638 HE3 LYS 83 2HE LYS 83 4.688 -2.107 -6.498 639 HZ1 LYS 83 1HZ LYS 83 5.194 -4.332 -6.724 640 HZ2 LYS 83 2HZ LYS 83 5.080 -4.312 -8.412 641 HZ3 LYS 83 3HZ LYS 83 3.677 -4.247 -7.470 642 H GLU 84 H GLU 84 -0.612 1.289 -8.120 643 HA GLU 84 HA GLU 84 -1.237 2.425 -10.686 644 HB2 GLU 84 1HB GLU 84 -2.755 1.073 -8.511 645 HB3 GLU 84 2HB GLU 84 -3.658 2.100 -9.614 646 HG2 GLU 84 1HG GLU 84 -2.630 0.787 -11.499 647 HG3 GLU 84 2HG GLU 84 -2.035 -0.336 -10.277 648 H LEU 85 H LEU 85 -1.922 3.303 -7.308 649 HA LEU 85 HA LEU 85 -3.384 5.611 -7.745 650 HB2 LEU 85 1HB LEU 85 -1.494 4.825 -5.551 651 HB3 LEU 85 2HB LEU 85 -2.360 6.359 -5.522 652 HG LEU 85 HG LEU 85 -3.763 3.702 -5.703 653 HD11 LEU 85 1HD1 LEU 85 -2.399 3.758 -3.665 654 HD12 LEU 85 2HD1 LEU 85 -4.124 3.834 -3.306 655 HD13 LEU 85 3HD1 LEU 85 -3.141 5.294 -3.219 656 HD21 LEU 85 1HD2 LEU 85 -5.471 5.349 -4.489 657 HD22 LEU 85 2HD2 LEU 85 -5.367 5.214 -6.245 658 HD23 LEU 85 3HD2 LEU 85 -4.556 6.542 -5.412 659 H GLN 86 H GLN 86 0.132 5.387 -7.186 660 HA GLN 86 HA GLN 86 0.737 8.071 -7.575 661 HB2 GLN 86 1HB GLN 86 2.994 7.420 -7.759 662 HB3 GLN 86 2HB GLN 86 2.255 6.202 -6.727 663 HG2 GLN 86 1HG GLN 86 2.152 4.642 -8.547 664 HG3 GLN 86 2HG GLN 86 2.718 5.868 -9.680 665 HE21 GLN 86 1HE2 GLN 86 3.761 4.715 -6.488 666 HE22 GLN 86 2HE2 GLN 86 5.410 4.455 -6.932 667 H ALA 87 H ALA 87 -0.026 5.598 -9.877 668 HA ALA 87 HA ALA 87 1.060 6.947 -12.161 669 HB1 ALA 87 1HB ALA 87 0.550 4.431 -11.863 670 HB2 ALA 87 2HB ALA 87 -1.093 4.875 -12.327 671 HB3 ALA 87 3HB ALA 87 0.248 5.183 -13.429 672 H GLU 88 H GLU 88 -1.866 7.143 -10.354 673 HA GLU 88 HA GLU 88 -3.322 8.462 -12.499 674 HB2 GLU 88 1HB GLU 88 -4.095 7.831 -9.646 675 HB3 GLU 88 2HB GLU 88 -5.156 8.604 -10.817 676 HG2 GLU 88 1HG GLU 88 -4.557 6.466 -12.242 677 HG3 GLU 88 2HG GLU 88 -4.246 5.785 -10.647 678 H GLN 89 H GLN 89 -1.901 9.230 -9.354 679 HA GLN 89 HA GLN 89 -2.716 11.974 -9.417 680 HB2 GLN 89 1HB GLN 89 -1.456 12.230 -7.403 681 HB3 GLN 89 2HB GLN 89 -2.259 10.667 -7.324 682 HG2 GLN 89 1HG GLN 89 -0.193 10.069 -6.608 683 HG3 GLN 89 2HG GLN 89 0.020 9.829 -8.341 684 HE21 GLN 89 1HE2 GLN 89 2.216 10.141 -6.838 685 HE22 GLN 89 2HE2 GLN 89 2.933 11.690 -7.109 686 H GLU 90 H GLU 90 -0.118 10.178 -10.750 687 HA GLU 90 HA GLU 90 1.569 12.533 -11.092 688 HB2 GLU 90 1HB GLU 90 2.511 10.275 -10.477 689 HB3 GLU 90 2HB GLU 90 2.072 9.728 -12.088 690 HG2 GLU 90 1HG GLU 90 3.542 11.398 -13.072 691 HG3 GLU 90 2HG GLU 90 3.964 11.985 -11.464 692 H ASP 91 H ASP 91 -0.693 10.594 -12.841 693 HA ASP 91 HA ASP 91 0.082 11.122 -15.476 694 HB2 ASP 91 1HB ASP 91 -1.589 9.444 -14.997 695 HB3 ASP 91 2HB ASP 91 -2.667 10.653 -14.307 696 H ARG 92 H ARG 92 -2.299 12.837 -13.452 697 HA ARG 92 HA ARG 92 -2.998 14.828 -15.244 698 HB2 ARG 92 1HB ARG 92 -3.411 16.216 -13.119 699 HB3 ARG 92 2HB ARG 92 -4.293 14.705 -13.298 700 HG2 ARG 92 1HG ARG 92 -3.170 13.682 -11.603 701 HG3 ARG 92 2HG ARG 92 -1.705 14.632 -11.852 702 HD2 ARG 92 1HD ARG 92 -4.277 15.587 -10.600 703 HD3 ARG 92 2HD ARG 92 -2.763 15.254 -9.761 704 HE ARG 92 HE ARG 92 -2.250 17.155 -11.738 705 HH11 ARG 92 1HH1 ARG 92 -4.056 16.859 -8.776 706 HH12 ARG 92 2HH1 ARG 92 -3.931 18.541 -8.380 707 HH21 ARG 92 1HH2 ARG 92 -2.079 19.371 -11.227 708 HH22 ARG 92 2HH2 ARG 92 -2.807 19.969 -9.775 709 H ALA 93 H ALA 93 -0.109 14.467 -13.346 710 HA ALA 93 HA ALA 93 0.774 17.188 -13.750 711 HB1 ALA 93 1HB ALA 93 2.134 16.734 -12.057 712 HB2 ALA 93 2HB ALA 93 1.447 15.110 -11.993 713 HB3 ALA 93 3HB ALA 93 2.891 15.420 -12.956 714 H LEU 94 H LEU 94 1.466 14.001 -15.103 715 HA LEU 94 HA LEU 94 3.602 14.890 -16.774 716 HB2 LEU 94 1HB LEU 94 2.942 12.494 -15.930 717 HB3 LEU 94 2HB LEU 94 1.980 12.469 -17.406 718 HG LEU 94 HG LEU 94 4.954 12.960 -17.343 719 HD11 LEU 94 1HD1 LEU 94 5.329 10.709 -17.821 720 HD12 LEU 94 2HD1 LEU 94 3.631 10.405 -18.186 721 HD13 LEU 94 3HD1 LEU 94 4.140 10.675 -16.519 722 HD21 LEU 94 1HD2 LEU 94 4.588 12.178 -19.783 723 HD22 LEU 94 2HD2 LEU 94 4.177 13.836 -19.342 724 HD23 LEU 94 3HD2 LEU 94 2.906 12.623 -19.498 725 H ARG 95 H ARG 95 0.143 14.741 -17.073 726 HA ARG 95 HA ARG 95 -1.305 15.369 -18.712 727 HB2 ARG 95 1HB ARG 95 1.053 17.151 -19.092 728 HB3 ARG 95 2HB ARG 95 -0.184 17.147 -20.343 729 HG2 ARG 95 1HG ARG 95 -1.836 17.517 -18.400 730 HG3 ARG 95 2HG ARG 95 -0.403 17.982 -17.481 731 HD2 ARG 95 1HD ARG 95 0.102 19.734 -19.037 732 HD3 ARG 95 2HD ARG 95 -1.173 19.194 -20.129 733 HE ARG 95 HE ARG 95 -2.726 20.256 -18.805 734 HH11 ARG 95 1HH1 ARG 95 0.344 20.146 -17.168 735 HH12 ARG 95 2HH1 ARG 95 -0.141 21.234 -15.909 736 HH21 ARG 95 1HH2 ARG 95 -3.377 21.689 -17.154 737 HH22 ARG 95 2HH2 ARG 95 -2.258 22.110 -15.902 738 H SER 96 H SER 96 -0.358 12.955 -19.258 739 HA SER 96 HA SER 96 0.637 12.952 -22.011 740 HB2 SER 96 1HB SER 96 1.891 11.418 -20.780 741 HB3 SER 96 2HB SER 96 0.500 10.888 -19.836 742 HG SER 96 HG SER 96 1.358 10.086 -22.352 743 H PHE 97 H PHE 97 -0.424 11.832 -23.678 744 HA PHE 97 HA PHE 97 -3.281 11.975 -23.549 745 HB2 PHE 97 1HB PHE 97 -1.461 10.925 -25.727 746 HB3 PHE 97 2HB PHE 97 -3.191 11.204 -25.899 747 HD1 PHE 97 1HD PHE 97 -3.673 13.748 -24.708 748 HD2 PHE 97 2HD PHE 97 -0.310 12.463 -26.977 749 HE1 PHE 97 1HE PHE 97 -3.232 16.077 -25.366 750 HE2 PHE 97 2HE PHE 97 0.137 14.790 -27.638 751 HZ PHE 97 HZ PHE 97 -1.324 16.601 -26.833 752 H LYS 98 H LYS 98 -3.643 10.430 -21.836 753 HA LYS 98 HA LYS 98 -3.807 7.692 -22.878 754 HB2 LYS 98 1HB LYS 98 -1.842 7.909 -21.343 755 HB3 LYS 98 2HB LYS 98 -2.952 8.363 -20.057 756 HG2 LYS 98 1HG LYS 98 -2.538 6.092 -19.715 757 HG3 LYS 98 2HG LYS 98 -4.117 6.142 -20.501 758 HD2 LYS 98 1HD LYS 98 -3.254 5.396 -22.542 759 HD3 LYS 98 2HD LYS 98 -1.597 5.811 -22.096 760 HE2 LYS 98 1HE LYS 98 -1.514 3.551 -21.798 761 HE3 LYS 98 2HE LYS 98 -2.052 4.035 -20.190 762 HZ1 LYS 98 1HZ LYS 98 -3.920 3.259 -22.356 763 HZ2 LYS 98 2HZ LYS 98 -4.270 3.462 -20.713 764 HZ3 LYS 98 3HZ LYS 98 -3.315 2.161 -21.220 765 H SER 99 H SER 99 -5.693 6.674 -22.470 766 HA SER 99 HA SER 99 -7.750 8.209 -21.076 767 HB2 SER 99 1HB SER 99 -7.901 5.791 -22.886 768 HB3 SER 99 2HB SER 99 -9.303 6.503 -22.088 769 HG SER 99 HG SER 99 -8.327 8.536 -23.176 770 H GLY 100 H GLY 100 -9.464 6.640 -19.993 771 HA2 GLY 100 1HA GLY 100 -9.193 4.320 -18.793 772 HA3 GLY 100 2HA GLY 100 -7.961 5.220 -17.919 773 HA PRO 101 HA PRO 101 -12.469 5.975 -16.375 774 HB2 PRO 101 1HB PRO 101 -12.807 3.915 -14.638 775 HB3 PRO 101 2HB PRO 101 -13.315 3.839 -16.329 776 HG2 PRO 101 1HG PRO 101 -10.842 2.747 -15.044 777 HG3 PRO 101 2HG PRO 101 -11.904 1.992 -16.246 778 HD2 PRO 101 1HD PRO 101 -9.548 3.150 -16.907 779 HD3 PRO 101 2HD PRO 101 -10.948 3.143 -17.998 780 H SER 102 H SER 102 -13.054 5.913 -13.848 781 HA SER 102 HA SER 102 -10.942 6.045 -11.983 782 HB2 SER 102 1HB SER 102 -10.699 8.417 -11.665 783 HB3 SER 102 2HB SER 102 -10.415 8.077 -13.372 784 HG SER 102 HG SER 102 -12.845 8.547 -13.465 785 H SER 103 H SER 103 -11.653 6.611 -9.867 786 HA SER 103 HA SER 103 -14.589 6.655 -9.607 787 HB2 SER 103 1HB SER 103 -14.118 5.591 -7.329 788 HB3 SER 103 2HB SER 103 -13.837 4.577 -8.745 789 HG SER 103 HG SER 103 -12.082 5.439 -6.860 790 H GLY 104 H GLY 104 -12.409 8.830 -9.673 791 HA2 GLY 104 1HA GLY 104 -12.356 10.964 -8.783 792 HA3 GLY 104 2HA GLY 104 -13.644 10.494 -7.683 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -4.859 -49.363 4.750 2 HA2 GLY 1 1HA GLY 1 -6.667 -48.733 2.920 3 HA3 GLY 1 2HA GLY 1 -5.828 -47.459 3.795 4 H SER 2 H SER 2 -6.922 -47.617 1.016 5 HA SER 2 HA SER 2 -4.450 -47.193 -0.514 6 HB2 SER 2 1HB SER 2 -5.868 -47.408 -2.523 7 HB3 SER 2 2HB SER 2 -5.998 -48.828 -1.483 8 HG SER 2 HG SER 2 -8.057 -48.241 -2.063 9 H SER 3 H SER 3 -7.640 -45.750 0.089 10 HA SER 3 HA SER 3 -6.719 -43.223 -1.054 11 HB2 SER 3 1HB SER 3 -9.416 -44.304 -0.276 12 HB3 SER 3 2HB SER 3 -9.180 -42.576 -0.529 13 HG SER 3 HG SER 3 -9.855 -43.855 -2.412 14 H GLY 4 H GLY 4 -5.305 -42.468 0.518 15 HA2 GLY 4 1HA GLY 4 -6.594 -41.707 3.067 16 HA3 GLY 4 2HA GLY 4 -4.931 -42.270 2.993 17 H SER 5 H SER 5 -6.604 -40.036 0.812 18 HA SER 5 HA SER 5 -4.433 -38.191 0.881 19 HB2 SER 5 1HB SER 5 -6.064 -38.597 -1.051 20 HB3 SER 5 2HB SER 5 -7.202 -37.589 -0.157 21 HG SER 5 HG SER 5 -4.621 -36.605 -0.547 22 H SER 6 H SER 6 -4.026 -36.748 2.405 23 HA SER 6 HA SER 6 -6.251 -35.379 3.726 24 HB2 SER 6 1HB SER 6 -5.188 -35.665 5.940 25 HB3 SER 6 2HB SER 6 -5.658 -37.212 5.237 26 HG SER 6 HG SER 6 -3.102 -36.123 5.613 27 H GLY 7 H GLY 7 -5.930 -33.251 3.828 28 HA2 GLY 7 1HA GLY 7 -3.911 -31.885 2.601 29 HA3 GLY 7 2HA GLY 7 -4.851 -31.216 3.927 30 H LYS 8 H LYS 8 -2.016 -30.846 3.207 31 HA LYS 8 HA LYS 8 -0.926 -31.337 5.859 32 HB2 LYS 8 1HB LYS 8 1.191 -32.249 4.917 33 HB3 LYS 8 2HB LYS 8 -0.190 -33.316 4.704 34 HG2 LYS 8 1HG LYS 8 0.542 -31.428 2.518 35 HG3 LYS 8 2HG LYS 8 1.485 -32.901 2.749 36 HD2 LYS 8 1HD LYS 8 -0.749 -34.134 2.732 37 HD3 LYS 8 2HD LYS 8 -1.441 -32.634 2.110 38 HE2 LYS 8 1HE LYS 8 0.275 -32.721 0.278 39 HE3 LYS 8 2HE LYS 8 0.707 -34.331 0.850 40 HZ1 LYS 8 1HZ LYS 8 -2.107 -34.056 0.467 41 HZ2 LYS 8 2HZ LYS 8 -1.043 -35.207 -0.170 42 HZ3 LYS 8 3HZ LYS 8 -1.254 -33.724 -0.956 43 H GLU 9 H GLU 9 1.001 -30.080 6.299 44 HA GLU 9 HA GLU 9 1.765 -28.052 4.377 45 HB2 GLU 9 1HB GLU 9 0.053 -27.493 6.735 46 HB3 GLU 9 2HB GLU 9 1.365 -26.364 6.428 47 HG2 GLU 9 1HG GLU 9 0.487 -25.692 4.394 48 HG3 GLU 9 2HG GLU 9 -0.503 -27.142 4.231 49 H ALA 10 H ALA 10 3.607 -26.773 5.101 50 HA ALA 10 HA ALA 10 5.236 -28.267 7.045 51 HB1 ALA 10 1HB ALA 10 6.239 -26.412 4.896 52 HB2 ALA 10 2HB ALA 10 7.178 -27.544 5.871 53 HB3 ALA 10 3HB ALA 10 6.033 -28.150 4.674 54 H LEU 11 H LEU 11 3.266 -25.958 7.427 55 HA LEU 11 HA LEU 11 4.841 -24.560 9.376 56 HB2 LEU 11 1HB LEU 11 5.542 -23.065 7.805 57 HB3 LEU 11 2HB LEU 11 4.120 -23.299 6.790 58 HG LEU 11 HG LEU 11 2.818 -21.953 8.452 59 HD11 LEU 11 1HD1 LEU 11 4.574 -20.406 9.748 60 HD12 LEU 11 2HD1 LEU 11 5.469 -21.926 9.753 61 HD13 LEU 11 3HD1 LEU 11 3.854 -21.853 10.457 62 HD21 LEU 11 1HD2 LEU 11 3.188 -20.482 6.820 63 HD22 LEU 11 2HD2 LEU 11 4.840 -21.048 6.576 64 HD23 LEU 11 3HD2 LEU 11 4.493 -19.849 7.824 65 H GLU 12 H GLU 12 3.591 -23.970 11.045 66 HA GLU 12 HA GLU 12 0.748 -23.458 10.619 67 HB2 GLU 12 1HB GLU 12 -0.026 -25.067 12.145 68 HB3 GLU 12 2HB GLU 12 1.153 -25.925 11.162 69 HG2 GLU 12 1HG GLU 12 1.638 -24.792 13.907 70 HG3 GLU 12 2HG GLU 12 1.368 -26.489 13.518 71 H ALA 13 H ALA 13 0.017 -21.837 11.850 72 HA ALA 13 HA ALA 13 1.325 -21.197 14.373 73 HB1 ALA 13 1HB ALA 13 2.603 -19.925 12.731 74 HB2 ALA 13 2HB ALA 13 1.117 -19.187 12.133 75 HB3 ALA 13 3HB ALA 13 1.669 -18.853 13.775 76 H LEU 14 H LEU 14 0.156 -19.354 15.488 77 HA LEU 14 HA LEU 14 -2.720 -19.473 14.860 78 HB2 LEU 14 1HB LEU 14 -3.063 -19.151 17.328 79 HB3 LEU 14 2HB LEU 14 -2.411 -20.713 16.840 80 HG LEU 14 HG LEU 14 -0.564 -18.543 17.749 81 HD11 LEU 14 1HD1 LEU 14 -2.662 -19.405 19.334 82 HD12 LEU 14 2HD1 LEU 14 -1.174 -18.638 19.886 83 HD13 LEU 14 3HD1 LEU 14 -1.298 -20.397 19.849 84 HD21 LEU 14 1HD2 LEU 14 -0.103 -21.002 16.751 85 HD22 LEU 14 2HD2 LEU 14 -0.202 -21.377 18.471 86 HD23 LEU 14 3HD2 LEU 14 0.968 -20.190 17.892 87 H VAL 15 H VAL 15 -0.093 -17.519 16.187 88 HA VAL 15 HA VAL 15 -1.775 -15.128 16.069 89 HB VAL 15 HB VAL 15 1.037 -15.442 17.128 90 HG11 VAL 15 1HG1 VAL 15 0.313 -13.158 16.290 91 HG12 VAL 15 2HG1 VAL 15 -0.854 -13.156 17.615 92 HG13 VAL 15 3HG1 VAL 15 0.874 -13.244 17.960 93 HG21 VAL 15 1HG2 VAL 15 -1.654 -15.526 18.454 94 HG22 VAL 15 2HG2 VAL 15 -0.320 -16.672 18.586 95 HG23 VAL 15 3HG2 VAL 15 -0.197 -15.085 19.345 96 HA PRO 16 HA PRO 16 -0.080 -13.898 12.184 97 HB2 PRO 16 1HB PRO 16 -0.764 -11.273 12.283 98 HB3 PRO 16 2HB PRO 16 -1.937 -12.559 11.979 99 HG2 PRO 16 1HG PRO 16 -1.334 -11.110 14.528 100 HG3 PRO 16 2HG PRO 16 -2.905 -11.560 13.842 101 HD2 PRO 16 1HD PRO 16 -1.722 -12.974 15.824 102 HD3 PRO 16 2HD PRO 16 -2.752 -13.733 14.593 103 H VAL 17 H VAL 17 1.103 -11.667 11.444 104 HA VAL 17 HA VAL 17 3.119 -10.892 13.404 105 HB VAL 17 HB VAL 17 4.896 -11.257 11.563 106 HG11 VAL 17 1HG1 VAL 17 4.779 -12.457 13.721 107 HG12 VAL 17 2HG1 VAL 17 3.741 -13.666 12.963 108 HG13 VAL 17 3HG1 VAL 17 5.403 -13.460 12.412 109 HG21 VAL 17 1HG2 VAL 17 3.767 -13.650 10.567 110 HG22 VAL 17 2HG2 VAL 17 2.594 -12.362 10.291 111 HG23 VAL 17 3HG2 VAL 17 4.237 -12.208 9.667 112 H THR 18 H THR 18 4.223 -8.967 12.888 113 HA THR 18 HA THR 18 2.746 -7.250 11.057 114 HB THR 18 HB THR 18 4.991 -6.485 12.930 115 HG1 THR 18 1HG THR 18 3.345 -7.215 14.219 116 HG21 THR 18 1HG2 THR 18 4.794 -4.696 11.486 117 HG22 THR 18 2HG2 THR 18 3.617 -4.260 12.725 118 HG23 THR 18 3HG2 THR 18 3.075 -4.974 11.207 119 H ILE 19 H ILE 19 3.542 -6.375 9.217 120 HA ILE 19 HA ILE 19 6.319 -7.051 8.494 121 HB ILE 19 HB ILE 19 5.577 -7.166 6.137 122 HG12 ILE 19 1HG1 ILE 19 2.745 -7.315 7.129 123 HG13 ILE 19 2HG1 ILE 19 3.459 -5.764 6.703 124 HG21 ILE 19 1HG2 ILE 19 4.982 -9.044 8.241 125 HG22 ILE 19 2HG2 ILE 19 3.869 -9.235 6.888 126 HG23 ILE 19 3HG2 ILE 19 5.608 -9.335 6.618 127 HD11 ILE 19 1HD1 ILE 19 2.553 -6.269 4.702 128 HD12 ILE 19 2HD1 ILE 19 4.078 -7.131 4.500 129 HD13 ILE 19 3HD1 ILE 19 2.627 -8.009 4.982 130 H GLU 20 H GLU 20 6.908 -5.652 6.418 131 HA GLU 20 HA GLU 20 6.100 -2.871 6.952 132 HB2 GLU 20 1HB GLU 20 8.836 -4.049 6.695 133 HB3 GLU 20 2HB GLU 20 8.561 -2.402 6.145 134 HG2 GLU 20 1HG GLU 20 7.677 -1.854 8.394 135 HG3 GLU 20 2HG GLU 20 8.117 -3.478 8.919 136 H VAL 21 H VAL 21 5.302 -1.869 5.233 137 HA VAL 21 HA VAL 21 5.991 -2.906 2.560 138 HB VAL 21 HB VAL 21 3.452 -1.435 3.250 139 HG11 VAL 21 1HG1 VAL 21 4.374 -3.037 0.874 140 HG12 VAL 21 2HG1 VAL 21 2.690 -2.578 1.136 141 HG13 VAL 21 3HG1 VAL 21 3.923 -1.333 0.927 142 HG21 VAL 21 1HG2 VAL 21 4.057 -4.375 3.327 143 HG22 VAL 21 2HG2 VAL 21 3.271 -3.377 4.551 144 HG23 VAL 21 3HG2 VAL 21 2.423 -3.770 3.055 145 H GLU 22 H GLU 22 6.580 -1.487 0.976 146 HA GLU 22 HA GLU 22 7.424 1.134 1.845 147 HB2 GLU 22 1HB GLU 22 7.749 -0.438 -0.697 148 HB3 GLU 22 2HB GLU 22 8.201 1.258 -0.614 149 HG2 GLU 22 1HG GLU 22 9.958 0.866 0.808 150 HG3 GLU 22 2HG GLU 22 9.259 -0.627 1.434 151 H VAL 23 H VAL 23 5.907 2.662 1.986 152 HA VAL 23 HA VAL 23 4.363 3.303 -0.401 153 HB VAL 23 HB VAL 23 3.071 2.835 2.290 154 HG11 VAL 23 1HG1 VAL 23 1.481 4.269 1.712 155 HG12 VAL 23 2HG1 VAL 23 2.358 4.653 0.230 156 HG13 VAL 23 3HG1 VAL 23 1.174 3.346 0.241 157 HG21 VAL 23 1HG2 VAL 23 1.629 1.354 0.640 158 HG22 VAL 23 2HG2 VAL 23 3.132 1.344 -0.282 159 HG23 VAL 23 3HG2 VAL 23 3.111 0.741 1.375 160 HA PRO 24 HA PRO 24 5.727 7.308 0.948 161 HB2 PRO 24 1HB PRO 24 4.471 8.726 -0.997 162 HB3 PRO 24 2HB PRO 24 5.951 7.805 -1.284 163 HG2 PRO 24 1HG PRO 24 3.111 7.059 -1.869 164 HG3 PRO 24 2HG PRO 24 4.555 6.838 -2.873 165 HD2 PRO 24 1HD PRO 24 3.475 4.829 -1.415 166 HD3 PRO 24 2HD PRO 24 5.218 4.951 -1.727 167 H PHE 25 H PHE 25 4.918 8.745 2.360 168 HA PHE 25 HA PHE 25 2.403 8.481 3.502 169 HB2 PHE 25 1HB PHE 25 4.419 9.654 4.483 170 HB3 PHE 25 2HB PHE 25 4.006 11.039 3.478 171 HD1 PHE 25 1HD PHE 25 1.657 12.031 3.766 172 HD2 PHE 25 2HD PHE 25 3.471 9.405 6.581 173 HE1 PHE 25 1HE PHE 25 0.110 12.830 5.504 174 HE2 PHE 25 2HE PHE 25 1.927 10.200 8.324 175 HZ PHE 25 HZ PHE 25 0.243 11.914 7.787 176 H ASP 26 H ASP 26 3.457 10.447 0.805 177 HA ASP 26 HA ASP 26 1.371 12.247 0.582 178 HB2 ASP 26 1HB ASP 26 3.025 10.872 -1.532 179 HB3 ASP 26 2HB ASP 26 1.842 12.116 -1.922 180 H LEU 27 H LEU 27 1.342 8.842 0.133 181 HA LEU 27 HA LEU 27 -1.187 8.901 -1.326 182 HB2 LEU 27 1HB LEU 27 0.744 6.721 -0.601 183 HB3 LEU 27 2HB LEU 27 -0.872 6.361 -1.206 184 HG LEU 27 HG LEU 27 1.195 7.969 -2.704 185 HD11 LEU 27 1HD1 LEU 27 2.123 6.081 -3.400 186 HD12 LEU 27 2HD1 LEU 27 0.553 5.446 -3.894 187 HD13 LEU 27 3HD1 LEU 27 1.125 5.197 -2.244 188 HD21 LEU 27 1HD2 LEU 27 -1.028 8.546 -3.385 189 HD22 LEU 27 2HD2 LEU 27 -1.495 6.848 -3.474 190 HD23 LEU 27 3HD2 LEU 27 -0.326 7.502 -4.620 191 H HIS 28 H HIS 28 0.140 8.088 1.812 192 HA HIS 28 HA HIS 28 -1.750 6.600 3.034 193 HB2 HIS 28 1HB HIS 28 -0.337 9.039 4.115 194 HB3 HIS 28 2HB HIS 28 -1.303 7.964 5.120 195 HD2 HIS 28 2HD HIS 28 0.698 5.942 2.607 196 HE1 HIS 28 1HE HIS 28 2.991 6.035 6.175 197 HE2 HIS 28 2HE HIS 28 2.769 5.043 3.872 198 H ARG 29 H ARG 29 -1.975 10.105 2.501 199 HA ARG 29 HA ARG 29 -4.353 10.637 3.786 200 HB2 ARG 29 1HB ARG 29 -4.587 12.551 2.327 201 HB3 ARG 29 2HB ARG 29 -2.889 12.339 2.734 202 HG2 ARG 29 1HG ARG 29 -2.510 11.270 0.562 203 HG3 ARG 29 2HG ARG 29 -4.210 11.515 0.156 204 HD2 ARG 29 1HD ARG 29 -2.274 13.726 0.830 205 HD3 ARG 29 2HD ARG 29 -2.686 13.225 -0.810 206 HE ARG 29 HE ARG 29 -4.743 14.253 -0.590 207 HH11 ARG 29 1HH1 ARG 29 -3.081 14.206 2.469 208 HH12 ARG 29 2HH1 ARG 29 -4.176 15.313 3.229 209 HH21 ARG 29 1HH2 ARG 29 -6.190 15.712 0.399 210 HH22 ARG 29 2HH2 ARG 29 -5.944 16.169 2.050 211 H TYR 30 H TYR 30 -3.850 9.280 0.566 212 HA TYR 30 HA TYR 30 -6.681 9.198 -0.001 213 HB2 TYR 30 1HB TYR 30 -4.391 7.933 -1.520 214 HB3 TYR 30 2HB TYR 30 -6.034 8.166 -2.108 215 HD1 TYR 30 2HD TYR 30 -6.796 10.796 -1.722 216 HD2 TYR 30 1HD TYR 30 -2.855 9.366 -2.449 217 HE1 TYR 30 2HE TYR 30 -6.167 12.999 -2.617 218 HE2 TYR 30 1HE TYR 30 -2.215 11.565 -3.345 219 HH TYR 30 HH TYR 30 -3.991 13.679 -4.475 220 H VAL 31 H VAL 31 -4.132 6.922 0.888 221 HA VAL 31 HA VAL 31 -5.533 4.533 0.594 222 HB VAL 31 HB VAL 31 -3.467 5.174 2.704 223 HG11 VAL 31 1HG1 VAL 31 -5.034 2.888 2.367 224 HG12 VAL 31 2HG1 VAL 31 -3.456 2.476 1.692 225 HG13 VAL 31 3HG1 VAL 31 -3.582 3.051 3.355 226 HG21 VAL 31 1HG2 VAL 31 -2.944 3.844 0.066 227 HG22 VAL 31 2HG2 VAL 31 -2.890 5.598 0.240 228 HG23 VAL 31 3HG2 VAL 31 -1.794 4.584 1.180 229 H ILE 32 H ILE 32 -5.066 6.392 3.606 230 HA ILE 32 HA ILE 32 -6.797 4.884 5.193 231 HB ILE 32 HB ILE 32 -6.211 7.834 5.470 232 HG12 ILE 32 1HG1 ILE 32 -4.785 5.654 6.958 233 HG13 ILE 32 2HG1 ILE 32 -4.259 6.099 5.337 234 HG21 ILE 32 1HG2 ILE 32 -7.134 5.789 7.483 235 HG22 ILE 32 2HG2 ILE 32 -6.686 7.454 7.851 236 HG23 ILE 32 3HG2 ILE 32 -8.087 7.122 6.832 237 HD11 ILE 32 1HD1 ILE 32 -4.561 8.490 6.798 238 HD12 ILE 32 2HD1 ILE 32 -3.674 7.356 7.816 239 HD13 ILE 32 3HD1 ILE 32 -3.076 7.748 6.203 240 H GLY 33 H GLY 33 -7.471 8.097 3.775 241 HA2 GLY 33 1HA GLY 33 -9.422 8.980 2.934 242 HA3 GLY 33 2HA GLY 33 -10.054 7.342 2.851 243 H GLN 34 H GLN 34 -12.046 8.582 3.472 244 HA GLN 34 HA GLN 34 -12.342 9.735 6.018 245 HB2 GLN 34 1HB GLN 34 -13.911 9.869 3.990 246 HB3 GLN 34 2HB GLN 34 -14.558 8.330 4.542 247 HG2 GLN 34 1HG GLN 34 -16.014 9.780 5.529 248 HG3 GLN 34 2HG GLN 34 -14.820 9.597 6.813 249 HE21 GLN 34 1HE2 GLN 34 -14.084 11.393 7.682 250 HE22 GLN 34 2HE2 GLN 34 -14.114 12.962 6.960 251 H LYS 35 H LYS 35 -12.539 8.884 7.985 252 HA LYS 35 HA LYS 35 -12.322 7.255 9.598 253 HB2 LYS 35 1HB LYS 35 -14.890 6.735 8.143 254 HB3 LYS 35 2HB LYS 35 -14.408 5.677 9.463 255 HG2 LYS 35 1HG LYS 35 -14.604 8.662 9.749 256 HG3 LYS 35 2HG LYS 35 -15.952 7.569 10.067 257 HD2 LYS 35 1HD LYS 35 -14.982 6.700 11.951 258 HD3 LYS 35 2HD LYS 35 -13.341 7.004 11.377 259 HE2 LYS 35 1HE LYS 35 -15.216 9.232 12.120 260 HE3 LYS 35 2HE LYS 35 -14.193 8.432 13.314 261 HZ1 LYS 35 1HZ LYS 35 -12.283 9.251 12.354 262 HZ2 LYS 35 2HZ LYS 35 -13.346 10.548 12.138 263 HZ3 LYS 35 3HZ LYS 35 -13.004 9.511 10.846 264 H GLY 36 H GLY 36 -10.490 6.589 7.803 265 HA2 GLY 36 1HA GLY 36 -9.451 4.861 6.638 266 HA3 GLY 36 2HA GLY 36 -9.772 4.045 8.162 267 H SER 37 H SER 37 -11.430 4.868 5.116 268 HA SER 37 HA SER 37 -13.069 2.475 5.358 269 HB2 SER 37 1HB SER 37 -14.122 3.365 3.231 270 HB3 SER 37 2HB SER 37 -14.264 4.418 4.639 271 HG SER 37 HG SER 37 -13.258 5.877 3.534 272 H GLY 38 H GLY 38 -11.070 3.920 2.771 273 HA2 GLY 38 1HA GLY 38 -10.946 1.786 1.053 274 HA3 GLY 38 2HA GLY 38 -9.632 2.933 1.268 275 H ILE 39 H ILE 39 -9.107 2.244 4.019 276 HA ILE 39 HA ILE 39 -7.382 0.000 3.558 277 HB ILE 39 HB ILE 39 -7.947 1.530 6.100 278 HG12 ILE 39 1HG1 ILE 39 -5.820 1.767 3.974 279 HG13 ILE 39 2HG1 ILE 39 -6.942 3.005 4.527 280 HG21 ILE 39 1HG2 ILE 39 -7.036 -0.864 6.275 281 HG22 ILE 39 2HG2 ILE 39 -5.552 -0.199 5.595 282 HG23 ILE 39 3HG2 ILE 39 -6.173 0.417 7.126 283 HD11 ILE 39 1HD1 ILE 39 -4.665 3.380 5.330 284 HD12 ILE 39 2HD1 ILE 39 -5.800 3.121 6.656 285 HD13 ILE 39 3HD1 ILE 39 -4.709 1.826 6.162 286 H ARG 40 H ARG 40 -10.372 0.570 5.327 287 HA ARG 40 HA ARG 40 -10.484 -1.803 6.794 288 HB2 ARG 40 1HB ARG 40 -12.004 0.210 7.001 289 HB3 ARG 40 2HB ARG 40 -12.868 -0.395 5.593 290 HG2 ARG 40 1HG ARG 40 -14.158 -1.291 7.230 291 HG3 ARG 40 2HG ARG 40 -12.978 -2.594 7.058 292 HD2 ARG 40 1HD ARG 40 -11.655 -1.400 8.885 293 HD3 ARG 40 2HD ARG 40 -13.119 -0.460 9.169 294 HE ARG 40 HE ARG 40 -13.603 -3.278 9.182 295 HH11 ARG 40 1HH1 ARG 40 -12.484 -0.595 11.097 296 HH12 ARG 40 2HH1 ARG 40 -12.895 -1.334 12.609 297 HH21 ARG 40 1HH2 ARG 40 -14.150 -4.261 11.166 298 HH22 ARG 40 2HH2 ARG 40 -13.842 -3.419 12.647 299 H LYS 41 H LYS 41 -12.108 -1.093 3.695 300 HA LYS 41 HA LYS 41 -13.237 -3.456 3.077 301 HB2 LYS 41 1HB LYS 41 -12.680 -2.989 0.674 302 HB3 LYS 41 2HB LYS 41 -13.399 -1.636 1.537 303 HG2 LYS 41 1HG LYS 41 -11.337 -0.502 1.679 304 HG3 LYS 41 2HG LYS 41 -10.430 -1.935 1.188 305 HD2 LYS 41 1HD LYS 41 -11.978 -1.705 -0.959 306 HD3 LYS 41 2HD LYS 41 -11.996 -0.015 -0.452 307 HE2 LYS 41 1HE LYS 41 -9.379 -1.422 -0.546 308 HE3 LYS 41 2HE LYS 41 -10.134 -0.975 -2.075 309 HZ1 LYS 41 1HZ LYS 41 -8.700 0.782 -1.379 310 HZ2 LYS 41 2HZ LYS 41 -9.415 0.849 0.152 311 HZ3 LYS 41 3HZ LYS 41 -10.295 1.321 -1.213 312 H MET 42 H MET 42 -9.790 -2.720 2.796 313 HA MET 42 HA MET 42 -9.091 -5.246 1.670 314 HB2 MET 42 1HB MET 42 -7.379 -3.192 3.083 315 HB3 MET 42 2HB MET 42 -6.765 -4.569 2.177 316 HG2 MET 42 1HG MET 42 -7.386 -3.672 0.139 317 HG3 MET 42 2HG MET 42 -8.580 -2.598 0.863 318 HE1 MET 42 1HE MET 42 -4.383 -2.706 0.196 319 HE2 MET 42 2HE MET 42 -4.199 -2.109 1.845 320 HE3 MET 42 3HE MET 42 -5.081 -3.607 1.542 321 H MET 43 H MET 43 -8.762 -3.856 4.933 322 HA MET 43 HA MET 43 -7.591 -6.018 6.202 323 HB2 MET 43 1HB MET 43 -9.581 -4.015 7.276 324 HB3 MET 43 2HB MET 43 -8.676 -5.136 8.284 325 HG2 MET 43 1HG MET 43 -6.579 -4.127 7.326 326 HG3 MET 43 2HG MET 43 -7.605 -2.883 6.614 327 HE1 MET 43 1HE MET 43 -8.818 -1.086 7.824 328 HE2 MET 43 2HE MET 43 -9.790 -2.181 8.806 329 HE3 MET 43 3HE MET 43 -8.902 -0.863 9.572 330 H ASP 44 H ASP 44 -11.041 -5.349 5.704 331 HA ASP 44 HA ASP 44 -11.962 -7.665 7.058 332 HB2 ASP 44 1HB ASP 44 -13.166 -5.617 5.262 333 HB3 ASP 44 2HB ASP 44 -14.034 -7.137 5.462 334 H GLU 45 H GLU 45 -11.044 -6.996 3.738 335 HA GLU 45 HA GLU 45 -12.087 -9.375 2.606 336 HB2 GLU 45 1HB GLU 45 -11.584 -7.551 1.148 337 HB3 GLU 45 2HB GLU 45 -9.920 -7.479 1.708 338 HG2 GLU 45 1HG GLU 45 -9.751 -8.501 -0.360 339 HG3 GLU 45 2HG GLU 45 -9.706 -9.854 0.769 340 H PHE 46 H PHE 46 -8.746 -8.482 3.477 341 HA PHE 46 HA PHE 46 -7.935 -11.268 3.281 342 HB2 PHE 46 1HB PHE 46 -6.265 -8.862 4.034 343 HB3 PHE 46 2HB PHE 46 -5.673 -10.453 3.567 344 HD1 PHE 46 1HD PHE 46 -6.358 -11.271 1.198 345 HD2 PHE 46 2HD PHE 46 -6.447 -7.202 2.445 346 HE1 PHE 46 1HE PHE 46 -6.279 -10.552 -1.153 347 HE2 PHE 46 2HE PHE 46 -6.369 -6.477 0.095 348 HZ PHE 46 HZ PHE 46 -6.285 -8.152 -1.707 349 H GLU 47 H GLU 47 -9.395 -9.459 5.575 350 HA GLU 47 HA GLU 47 -9.670 -9.619 7.828 351 HB2 GLU 47 1HB GLU 47 -8.531 -12.343 7.220 352 HB3 GLU 47 2HB GLU 47 -9.051 -11.881 8.834 353 HG2 GLU 47 1HG GLU 47 -11.302 -11.557 8.082 354 HG3 GLU 47 2HG GLU 47 -10.825 -11.810 6.406 355 H VAL 48 H VAL 48 -7.281 -8.366 6.866 356 HA VAL 48 HA VAL 48 -5.368 -9.031 9.005 357 HB VAL 48 HB VAL 48 -3.661 -7.875 7.661 358 HG11 VAL 48 1HG1 VAL 48 -4.434 -10.381 7.392 359 HG12 VAL 48 2HG1 VAL 48 -4.870 -9.831 5.773 360 HG13 VAL 48 3HG1 VAL 48 -3.205 -9.684 6.336 361 HG21 VAL 48 1HG2 VAL 48 -4.143 -7.255 5.339 362 HG22 VAL 48 2HG2 VAL 48 -5.844 -7.651 5.588 363 HG23 VAL 48 3HG2 VAL 48 -5.110 -6.315 6.475 364 H ASN 49 H ASN 49 -3.953 -6.953 9.488 365 HA ASN 49 HA ASN 49 -5.771 -4.667 9.857 366 HB2 ASN 49 1HB ASN 49 -3.883 -5.868 11.891 367 HB3 ASN 49 2HB ASN 49 -4.676 -4.308 12.088 368 HD21 ASN 49 1HD2 ASN 49 -5.547 -7.632 11.189 369 HD22 ASN 49 2HD2 ASN 49 -6.966 -7.704 12.172 370 H ILE 50 H ILE 50 -4.993 -2.984 8.787 371 HA ILE 50 HA ILE 50 -2.098 -2.748 8.387 372 HB ILE 50 HB ILE 50 -4.360 -1.281 7.024 373 HG12 ILE 50 1HG1 ILE 50 -2.516 -3.434 5.965 374 HG13 ILE 50 2HG1 ILE 50 -4.181 -3.700 6.470 375 HG21 ILE 50 1HG2 ILE 50 -2.621 -0.482 5.478 376 HG22 ILE 50 2HG2 ILE 50 -2.366 0.091 7.126 377 HG23 ILE 50 3HG2 ILE 50 -1.392 -1.236 6.494 378 HD11 ILE 50 1HD1 ILE 50 -4.893 -2.076 4.728 379 HD12 ILE 50 2HD1 ILE 50 -3.222 -2.026 4.167 380 HD13 ILE 50 3HD1 ILE 50 -4.131 -3.535 4.097 381 H HIS 51 H HIS 51 -0.930 -1.234 9.382 382 HA HIS 51 HA HIS 51 -2.365 0.926 10.784 383 HB2 HIS 51 1HB HIS 51 -0.135 -0.852 11.643 384 HB3 HIS 51 2HB HIS 51 -0.109 0.817 12.205 385 HD1 HIS 51 1HD HIS 51 -2.255 1.584 13.615 386 HD2 HIS 51 2HD HIS 51 -1.835 -2.504 13.006 387 HE1 HIS 51 1HE HIS 51 -3.768 0.495 15.302 388 H VAL 52 H VAL 52 -1.794 2.962 10.334 389 HA VAL 52 HA VAL 52 0.543 3.370 8.591 390 HB VAL 52 HB VAL 52 -1.915 5.094 8.930 391 HG11 VAL 52 1HG1 VAL 52 0.150 5.484 6.805 392 HG12 VAL 52 2HG1 VAL 52 -1.024 6.632 7.453 393 HG13 VAL 52 3HG1 VAL 52 0.390 6.180 8.407 394 HG21 VAL 52 1HG2 VAL 52 -2.597 4.359 6.793 395 HG22 VAL 52 2HG2 VAL 52 -1.041 3.590 6.475 396 HG23 VAL 52 3HG2 VAL 52 -2.136 2.902 7.675 397 HA PRO 53 HA PRO 53 2.531 5.586 11.848 398 HB2 PRO 53 1HB PRO 53 4.349 6.932 10.348 399 HB3 PRO 53 2HB PRO 53 4.483 5.205 10.700 400 HG2 PRO 53 1HG PRO 53 3.455 6.561 8.238 401 HG3 PRO 53 2HG PRO 53 4.517 5.149 8.376 402 HD2 PRO 53 1HD PRO 53 1.868 4.935 7.857 403 HD3 PRO 53 2HD PRO 53 2.762 3.712 8.782 404 H ALA 54 H ALA 54 2.161 7.464 12.875 405 HA ALA 54 HA ALA 54 0.304 9.320 12.087 406 HB1 ALA 54 1HB ALA 54 1.928 10.826 13.689 407 HB2 ALA 54 2HB ALA 54 0.684 9.712 14.257 408 HB3 ALA 54 3HB ALA 54 2.363 9.181 14.155 409 HA PRO 55 HA PRO 55 2.080 12.108 9.203 410 HB2 PRO 55 1HB PRO 55 1.227 14.530 10.084 411 HB3 PRO 55 2HB PRO 55 0.149 13.347 9.333 412 HG2 PRO 55 1HG PRO 55 0.578 13.948 12.235 413 HG3 PRO 55 2HG PRO 55 -0.941 13.659 11.364 414 HD2 PRO 55 1HD PRO 55 0.268 11.752 12.862 415 HD3 PRO 55 2HD PRO 55 -0.673 11.369 11.405 416 H GLU 56 H GLU 56 2.689 12.794 12.597 417 HA GLU 56 HA GLU 56 4.714 14.733 12.218 418 HB2 GLU 56 1HB GLU 56 5.206 14.459 14.536 419 HB3 GLU 56 2HB GLU 56 3.465 14.300 14.356 420 HG2 GLU 56 1HG GLU 56 3.632 11.895 14.510 421 HG3 GLU 56 2HG GLU 56 5.390 11.998 14.586 422 H LEU 57 H LEU 57 4.739 11.225 12.365 423 HA LEU 57 HA LEU 57 7.572 10.954 12.519 424 HB2 LEU 57 1HB LEU 57 5.477 8.998 11.586 425 HB3 LEU 57 2HB LEU 57 7.158 8.603 11.937 426 HG LEU 57 HG LEU 57 5.317 9.735 14.026 427 HD11 LEU 57 1HD1 LEU 57 5.873 6.812 13.813 428 HD12 LEU 57 2HD1 LEU 57 4.560 7.521 12.873 429 HD13 LEU 57 3HD1 LEU 57 4.555 7.651 14.632 430 HD21 LEU 57 1HD2 LEU 57 6.930 9.113 15.551 431 HD22 LEU 57 2HD2 LEU 57 7.914 9.622 14.178 432 HD23 LEU 57 3HD2 LEU 57 7.636 7.906 14.475 433 H GLN 58 H GLN 58 5.404 11.690 9.989 434 HA GLN 58 HA GLN 58 5.585 11.661 7.693 435 HB2 GLN 58 1HB GLN 58 8.357 12.669 8.327 436 HB3 GLN 58 2HB GLN 58 7.377 13.049 6.917 437 HG2 GLN 58 1HG GLN 58 6.294 13.729 9.595 438 HG3 GLN 58 2HG GLN 58 7.609 14.711 8.950 439 HE21 GLN 58 1HE2 GLN 58 4.518 13.305 7.919 440 HE22 GLN 58 2HE2 GLN 58 3.994 14.685 7.021 441 H SER 59 H SER 59 5.991 9.110 8.522 442 HA SER 59 HA SER 59 8.437 8.151 7.241 443 HB2 SER 59 1HB SER 59 7.466 7.325 9.530 444 HB3 SER 59 2HB SER 59 6.408 6.345 8.514 445 HG SER 59 HG SER 59 8.171 5.312 7.677 446 H ASP 60 H ASP 60 8.317 6.339 5.733 447 HA ASP 60 HA ASP 60 5.861 6.416 4.105 448 HB2 ASP 60 1HB ASP 60 8.678 5.997 3.088 449 HB3 ASP 60 2HB ASP 60 7.217 6.148 2.116 450 H ILE 61 H ILE 61 6.903 4.571 6.293 451 HA ILE 61 HA ILE 61 6.723 2.065 4.750 452 HB ILE 61 HB ILE 61 7.983 2.268 7.474 453 HG12 ILE 61 1HG1 ILE 61 9.154 3.766 5.836 454 HG13 ILE 61 2HG1 ILE 61 10.154 2.459 6.460 455 HG21 ILE 61 1HG2 ILE 61 9.199 0.220 6.279 456 HG22 ILE 61 2HG2 ILE 61 7.671 0.045 7.141 457 HG23 ILE 61 3HG2 ILE 61 7.680 0.194 5.383 458 HD11 ILE 61 1HD1 ILE 61 8.734 2.379 3.812 459 HD12 ILE 61 2HD1 ILE 61 10.413 2.875 4.031 460 HD13 ILE 61 3HD1 ILE 61 9.920 1.229 4.427 461 H ILE 62 H ILE 62 4.745 1.254 4.952 462 HA ILE 62 HA ILE 62 3.175 1.744 7.348 463 HB ILE 62 HB ILE 62 2.542 0.472 4.698 464 HG12 ILE 62 1HG1 ILE 62 1.327 2.834 6.144 465 HG13 ILE 62 2HG1 ILE 62 2.572 2.956 4.906 466 HG21 ILE 62 1HG2 ILE 62 1.085 0.258 7.276 467 HG22 ILE 62 2HG2 ILE 62 0.139 0.486 5.804 468 HG23 ILE 62 3HG2 ILE 62 1.221 -0.899 5.952 469 HD11 ILE 62 1HD1 ILE 62 -0.240 2.835 4.593 470 HD12 ILE 62 2HD1 ILE 62 1.005 2.998 3.354 471 HD13 ILE 62 3HD1 ILE 62 0.462 1.396 3.852 472 H ALA 63 H ALA 63 2.447 0.187 8.763 473 HA ALA 63 HA ALA 63 3.860 -2.392 8.626 474 HB1 ALA 63 1HB ALA 63 4.551 -1.476 10.612 475 HB2 ALA 63 2HB ALA 63 3.016 -0.654 10.894 476 HB3 ALA 63 3HB ALA 63 3.142 -2.394 11.148 477 H ILE 64 H ILE 64 2.691 -4.122 8.143 478 HA ILE 64 HA ILE 64 -0.207 -4.056 8.675 479 HB ILE 64 HB ILE 64 1.231 -5.677 6.571 480 HG12 ILE 64 1HG1 ILE 64 -0.531 -3.245 6.209 481 HG13 ILE 64 2HG1 ILE 64 1.228 -3.207 6.156 482 HG21 ILE 64 1HG2 ILE 64 -0.685 -6.879 7.053 483 HG22 ILE 64 2HG2 ILE 64 -1.627 -5.432 7.412 484 HG23 ILE 64 3HG2 ILE 64 -1.225 -5.830 5.742 485 HD11 ILE 64 1HD1 ILE 64 0.666 -3.302 3.930 486 HD12 ILE 64 2HD1 ILE 64 0.951 -5.002 4.308 487 HD13 ILE 64 3HD1 ILE 64 -0.698 -4.384 4.210 488 H THR 65 H THR 65 -1.017 -5.515 10.033 489 HA THR 65 HA THR 65 0.740 -7.690 10.939 490 HB THR 65 HB THR 65 -1.728 -6.605 12.306 491 HG1 THR 65 1HG THR 65 -0.438 -5.228 13.314 492 HG21 THR 65 1HG2 THR 65 0.408 -8.097 13.732 493 HG22 THR 65 2HG2 THR 65 -0.683 -9.023 12.701 494 HG23 THR 65 3HG2 THR 65 -1.330 -8.054 14.024 495 H GLY 66 H GLY 66 0.114 -9.802 10.859 496 HA2 GLY 66 1HA GLY 66 -2.334 -10.952 10.727 497 HA3 GLY 66 2HA GLY 66 -2.060 -10.440 9.068 498 H LEU 67 H LEU 67 -2.426 -13.062 9.481 499 HA LEU 67 HA LEU 67 -0.125 -14.573 10.067 500 HB2 LEU 67 1HB LEU 67 -2.536 -15.196 8.373 501 HB3 LEU 67 2HB LEU 67 -1.288 -16.377 8.768 502 HG LEU 67 HG LEU 67 -3.005 -14.960 10.805 503 HD11 LEU 67 1HD1 LEU 67 -3.349 -17.535 9.333 504 HD12 LEU 67 2HD1 LEU 67 -4.545 -16.309 9.748 505 HD13 LEU 67 3HD1 LEU 67 -3.921 -17.388 10.995 506 HD21 LEU 67 1HD2 LEU 67 -0.887 -17.072 10.942 507 HD22 LEU 67 2HD2 LEU 67 -2.158 -16.989 12.162 508 HD23 LEU 67 3HD2 LEU 67 -1.077 -15.615 11.919 509 H ALA 68 H ALA 68 1.550 -15.289 8.847 510 HA ALA 68 HA ALA 68 2.688 -13.917 6.854 511 HB1 ALA 68 1HB ALA 68 2.681 -16.916 7.149 512 HB2 ALA 68 2HB ALA 68 3.787 -16.023 6.105 513 HB3 ALA 68 3HB ALA 68 3.826 -15.773 7.851 514 H ALA 69 H ALA 69 0.191 -16.382 6.395 515 HA ALA 69 HA ALA 69 0.223 -16.366 3.571 516 HB1 ALA 69 1HB ALA 69 -1.166 -18.066 3.881 517 HB2 ALA 69 2HB ALA 69 -1.197 -17.708 5.609 518 HB3 ALA 69 3HB ALA 69 -2.391 -16.978 4.536 519 H ASN 70 H ASN 70 -1.958 -14.754 5.886 520 HA ASN 70 HA ASN 70 -3.483 -13.373 3.984 521 HB2 ASN 70 1HB ASN 70 -2.874 -12.420 6.787 522 HB3 ASN 70 2HB ASN 70 -4.290 -12.035 5.812 523 HD21 ASN 70 1HD2 ASN 70 -4.729 -12.955 8.267 524 HD22 ASN 70 2HD2 ASN 70 -5.305 -14.584 8.232 525 H LEU 71 H LEU 71 -0.643 -12.328 5.849 526 HA LEU 71 HA LEU 71 -0.415 -9.723 5.051 527 HB2 LEU 71 1HB LEU 71 1.866 -11.678 5.292 528 HB3 LEU 71 2HB LEU 71 1.981 -9.923 5.399 529 HG LEU 71 HG LEU 71 0.400 -11.583 7.351 530 HD11 LEU 71 1HD1 LEU 71 3.220 -11.482 7.048 531 HD12 LEU 71 2HD1 LEU 71 2.274 -12.260 8.316 532 HD13 LEU 71 3HD1 LEU 71 2.789 -10.584 8.503 533 HD21 LEU 71 1HD2 LEU 71 -0.332 -9.502 7.801 534 HD22 LEU 71 2HD2 LEU 71 1.040 -8.731 7.004 535 HD23 LEU 71 3HD2 LEU 71 1.210 -9.356 8.645 536 H ASP 72 H ASP 72 0.526 -12.608 3.249 537 HA ASP 72 HA ASP 72 1.868 -11.373 1.132 538 HB2 ASP 72 1HB ASP 72 0.481 -13.977 1.524 539 HB3 ASP 72 2HB ASP 72 0.830 -13.487 -0.131 540 H ARG 73 H ARG 73 -1.514 -12.520 1.162 541 HA ARG 73 HA ARG 73 -2.298 -11.443 -1.262 542 HB2 ARG 73 1HB ARG 73 -4.244 -11.398 0.997 543 HB3 ARG 73 2HB ARG 73 -4.457 -11.962 -0.655 544 HG2 ARG 73 1HG ARG 73 -2.722 -13.798 0.144 545 HG3 ARG 73 2HG ARG 73 -3.404 -13.387 1.718 546 HD2 ARG 73 1HD ARG 73 -4.842 -15.046 1.073 547 HD3 ARG 73 2HD ARG 73 -5.681 -13.638 0.427 548 HE ARG 73 HE ARG 73 -5.360 -14.487 -1.662 549 HH11 ARG 73 1HH1 ARG 73 -3.008 -15.903 0.479 550 HH12 ARG 73 2HH1 ARG 73 -2.371 -16.978 -0.720 551 HH21 ARG 73 1HH2 ARG 73 -4.529 -15.897 -3.251 552 HH22 ARG 73 2HH2 ARG 73 -3.236 -16.973 -2.842 553 H ALA 74 H ALA 74 -2.756 -9.987 1.962 554 HA ALA 74 HA ALA 74 -3.834 -7.565 1.143 555 HB1 ALA 74 1HB ALA 74 -3.910 -7.267 3.338 556 HB2 ALA 74 2HB ALA 74 -2.883 -8.684 3.561 557 HB3 ALA 74 3HB ALA 74 -2.156 -7.086 3.392 558 H LYS 75 H LYS 75 -0.429 -8.106 2.080 559 HA LYS 75 HA LYS 75 0.635 -5.695 1.361 560 HB2 LYS 75 1HB LYS 75 1.798 -7.718 2.407 561 HB3 LYS 75 2HB LYS 75 2.047 -8.290 0.762 562 HG2 LYS 75 1HG LYS 75 3.224 -6.139 0.279 563 HG3 LYS 75 2HG LYS 75 3.117 -5.767 2.002 564 HD2 LYS 75 1HD LYS 75 4.479 -7.622 2.576 565 HD3 LYS 75 2HD LYS 75 4.366 -8.296 0.948 566 HE2 LYS 75 1HE LYS 75 6.492 -7.323 1.032 567 HE3 LYS 75 2HE LYS 75 5.504 -6.142 0.174 568 HZ1 LYS 75 1HZ LYS 75 7.072 -5.565 2.266 569 HZ2 LYS 75 2HZ LYS 75 5.589 -5.800 3.044 570 HZ3 LYS 75 3HZ LYS 75 5.724 -4.649 1.811 571 H ALA 76 H ALA 76 0.003 -8.458 -0.761 572 HA ALA 76 HA ALA 76 1.161 -7.438 -3.096 573 HB1 ALA 76 1HB ALA 76 -0.012 -9.118 -4.269 574 HB2 ALA 76 2HB ALA 76 0.338 -9.793 -2.677 575 HB3 ALA 76 3HB ALA 76 -1.279 -9.194 -3.045 576 H GLY 77 H GLY 77 -2.089 -7.038 -1.755 577 HA2 GLY 77 1HA GLY 77 -3.209 -5.690 -3.971 578 HA3 GLY 77 2HA GLY 77 -3.806 -5.621 -2.320 579 H LEU 78 H LEU 78 -1.711 -4.444 -0.996 580 HA LEU 78 HA LEU 78 -2.119 -1.723 -1.541 581 HB2 LEU 78 1HB LEU 78 -1.376 -2.856 0.629 582 HB3 LEU 78 2HB LEU 78 0.252 -2.800 -0.046 583 HG LEU 78 HG LEU 78 -0.039 -0.297 -0.223 584 HD11 LEU 78 1HD1 LEU 78 -1.759 0.783 0.990 585 HD12 LEU 78 2HD1 LEU 78 -2.314 -0.734 1.695 586 HD13 LEU 78 3HD1 LEU 78 -2.549 -0.426 -0.025 587 HD21 LEU 78 1HD2 LEU 78 0.352 -1.934 2.171 588 HD22 LEU 78 2HD2 LEU 78 -0.081 -0.257 2.505 589 HD23 LEU 78 3HD2 LEU 78 1.334 -0.623 1.516 590 H LEU 79 H LEU 79 0.828 -3.683 -1.994 591 HA LEU 79 HA LEU 79 2.527 -1.901 -3.104 592 HB2 LEU 79 1HB LEU 79 1.999 -4.753 -3.888 593 HB3 LEU 79 2HB LEU 79 3.315 -3.814 -4.590 594 HG LEU 79 HG LEU 79 3.037 -4.316 -1.632 595 HD11 LEU 79 1HD1 LEU 79 3.411 -6.323 -3.360 596 HD12 LEU 79 2HD1 LEU 79 4.182 -6.258 -1.776 597 HD13 LEU 79 3HD1 LEU 79 5.075 -5.756 -3.211 598 HD21 LEU 79 1HD2 LEU 79 5.249 -3.522 -1.467 599 HD22 LEU 79 2HD2 LEU 79 4.409 -2.371 -2.506 600 HD23 LEU 79 3HD2 LEU 79 5.484 -3.578 -3.214 601 H GLU 80 H GLU 80 0.066 -3.712 -4.936 602 HA GLU 80 HA GLU 80 0.574 -2.463 -7.409 603 HB2 GLU 80 1HB GLU 80 -1.916 -3.816 -6.363 604 HB3 GLU 80 2HB GLU 80 -1.697 -3.309 -8.032 605 HG2 GLU 80 1HG GLU 80 0.305 -4.788 -8.143 606 HG3 GLU 80 2HG GLU 80 -0.115 -5.385 -6.538 607 H ARG 81 H ARG 81 -1.700 -1.726 -4.803 608 HA ARG 81 HA ARG 81 -3.124 0.315 -6.084 609 HB2 ARG 81 1HB ARG 81 -3.444 -0.895 -3.750 610 HB3 ARG 81 2HB ARG 81 -2.561 0.506 -3.159 611 HG2 ARG 81 1HG ARG 81 -4.748 1.182 -2.935 612 HG3 ARG 81 2HG ARG 81 -4.316 1.861 -4.506 613 HD2 ARG 81 1HD ARG 81 -5.356 -0.047 -5.619 614 HD3 ARG 81 2HD ARG 81 -5.769 -0.744 -4.054 615 HE ARG 81 HE ARG 81 -6.917 1.723 -4.004 616 HH11 ARG 81 1HH1 ARG 81 -7.065 -0.993 -6.176 617 HH12 ARG 81 2HH1 ARG 81 -8.690 -0.666 -6.682 618 HH21 ARG 81 1HH2 ARG 81 -9.057 2.163 -4.659 619 HH22 ARG 81 2HH2 ARG 81 -9.822 1.128 -5.818 620 H VAL 82 H VAL 82 -0.085 0.365 -4.303 621 HA VAL 82 HA VAL 82 0.169 3.209 -4.281 622 HB VAL 82 HB VAL 82 2.191 1.013 -3.842 623 HG11 VAL 82 1HG1 VAL 82 2.558 3.978 -3.424 624 HG12 VAL 82 2HG1 VAL 82 3.729 2.711 -3.054 625 HG13 VAL 82 3HG1 VAL 82 3.281 3.035 -4.728 626 HG21 VAL 82 1HG2 VAL 82 1.517 2.845 -1.665 627 HG22 VAL 82 2HG2 VAL 82 0.158 1.872 -2.229 628 HG23 VAL 82 3HG2 VAL 82 1.634 1.085 -1.672 629 H LYS 83 H LYS 83 1.364 0.621 -6.365 630 HA LYS 83 HA LYS 83 3.039 2.264 -7.961 631 HB2 LYS 83 1HB LYS 83 1.788 -0.441 -8.425 632 HB3 LYS 83 2HB LYS 83 2.843 0.329 -9.603 633 HG2 LYS 83 1HG LYS 83 4.685 0.292 -8.082 634 HG3 LYS 83 2HG LYS 83 3.647 -0.259 -6.765 635 HD2 LYS 83 1HD LYS 83 3.150 -2.282 -8.266 636 HD3 LYS 83 2HD LYS 83 4.558 -1.766 -9.197 637 HE2 LYS 83 1HE LYS 83 5.996 -2.034 -7.321 638 HE3 LYS 83 2HE LYS 83 4.631 -2.246 -6.225 639 HZ1 LYS 83 1HZ LYS 83 5.926 -4.303 -7.032 640 HZ2 LYS 83 2HZ LYS 83 5.036 -4.121 -8.460 641 HZ3 LYS 83 3HZ LYS 83 4.236 -4.369 -6.989 642 H GLU 84 H GLU 84 -0.342 1.320 -8.154 643 HA GLU 84 HA GLU 84 -0.722 2.512 -10.751 644 HB2 GLU 84 1HB GLU 84 -2.436 1.094 -8.773 645 HB3 GLU 84 2HB GLU 84 -3.231 2.157 -9.926 646 HG2 GLU 84 1HG GLU 84 -1.274 0.134 -10.905 647 HG3 GLU 84 2HG GLU 84 -2.904 -0.370 -10.461 648 H LEU 85 H LEU 85 -1.459 3.344 -7.397 649 HA LEU 85 HA LEU 85 -2.976 5.647 -7.878 650 HB2 LEU 85 1HB LEU 85 -1.279 4.731 -5.589 651 HB3 LEU 85 2HB LEU 85 -2.030 6.325 -5.566 652 HG LEU 85 HG LEU 85 -3.621 3.798 -5.934 653 HD11 LEU 85 1HD1 LEU 85 -4.128 4.532 -3.386 654 HD12 LEU 85 2HD1 LEU 85 -2.412 4.920 -3.501 655 HD13 LEU 85 3HD1 LEU 85 -2.970 3.283 -3.845 656 HD21 LEU 85 1HD2 LEU 85 -4.756 5.813 -6.608 657 HD22 LEU 85 2HD2 LEU 85 -4.319 6.611 -5.097 658 HD23 LEU 85 3HD2 LEU 85 -5.440 5.249 -5.084 659 H GLN 86 H GLN 86 0.487 5.415 -7.045 660 HA GLN 86 HA GLN 86 1.159 8.074 -7.286 661 HB2 GLN 86 1HB GLN 86 3.439 7.361 -7.617 662 HB3 GLN 86 2HB GLN 86 2.666 6.276 -6.468 663 HG2 GLN 86 1HG GLN 86 2.383 4.602 -8.188 664 HG3 GLN 86 2HG GLN 86 3.057 5.695 -9.395 665 HE21 GLN 86 1HE2 GLN 86 3.865 4.259 -6.255 666 HE22 GLN 86 2HE2 GLN 86 5.532 3.983 -6.615 667 H ALA 87 H ALA 87 1.027 5.617 -9.836 668 HA ALA 87 HA ALA 87 2.044 7.068 -11.956 669 HB1 ALA 87 1HB ALA 87 0.986 4.598 -11.692 670 HB2 ALA 87 2HB ALA 87 -0.290 5.402 -12.608 671 HB3 ALA 87 3HB ALA 87 1.355 5.355 -13.242 672 H GLU 88 H GLU 88 -1.106 7.264 -10.446 673 HA GLU 88 HA GLU 88 -2.161 9.000 -12.516 674 HB2 GLU 88 1HB GLU 88 -3.344 8.148 -9.866 675 HB3 GLU 88 2HB GLU 88 -4.188 9.063 -11.109 676 HG2 GLU 88 1HG GLU 88 -2.990 6.416 -11.782 677 HG3 GLU 88 2HG GLU 88 -4.522 6.493 -10.914 678 H GLN 89 H GLN 89 -2.140 9.407 -8.980 679 HA GLN 89 HA GLN 89 -2.455 12.069 -8.768 680 HB2 GLN 89 1HB GLN 89 -1.048 11.996 -6.713 681 HB3 GLN 89 2HB GLN 89 -2.236 10.703 -6.800 682 HG2 GLN 89 1HG GLN 89 -0.662 9.077 -7.063 683 HG3 GLN 89 2HG GLN 89 0.494 10.166 -7.830 684 HE21 GLN 89 1HE2 GLN 89 2.187 9.576 -6.514 685 HE22 GLN 89 2HE2 GLN 89 2.268 10.003 -4.842 686 H GLU 90 H GLU 90 0.469 10.438 -9.802 687 HA GLU 90 HA GLU 90 2.074 12.825 -9.777 688 HB2 GLU 90 1HB GLU 90 2.902 10.415 -9.514 689 HB3 GLU 90 2HB GLU 90 2.714 10.282 -11.256 690 HG2 GLU 90 1HG GLU 90 4.438 11.734 -11.696 691 HG3 GLU 90 2HG GLU 90 4.308 12.530 -10.128 692 H ASP 91 H ASP 91 0.580 10.803 -12.288 693 HA ASP 91 HA ASP 91 1.415 12.014 -14.574 694 HB2 ASP 91 1HB ASP 91 -0.033 10.137 -14.755 695 HB3 ASP 91 2HB ASP 91 -1.317 10.950 -13.863 696 H ARG 92 H ARG 92 -1.183 13.144 -12.443 697 HA ARG 92 HA ARG 92 -1.845 15.400 -14.053 698 HB2 ARG 92 1HB ARG 92 -3.147 16.137 -12.086 699 HB3 ARG 92 2HB ARG 92 -3.480 14.467 -12.526 700 HG2 ARG 92 1HG ARG 92 -2.205 13.641 -10.704 701 HG3 ARG 92 2HG ARG 92 -1.546 15.240 -10.361 702 HD2 ARG 92 1HD ARG 92 -4.473 14.550 -10.186 703 HD3 ARG 92 2HD ARG 92 -3.368 14.500 -8.813 704 HE ARG 92 HE ARG 92 -3.158 17.021 -9.981 705 HH11 ARG 92 1HH1 ARG 92 -5.526 15.096 -8.306 706 HH12 ARG 92 2HH1 ARG 92 -6.352 16.463 -7.632 707 HH21 ARG 92 1HH2 ARG 92 -4.236 18.828 -9.100 708 HH22 ARG 92 2HH2 ARG 92 -5.617 18.585 -8.085 709 H ALA 93 H ALA 93 0.238 14.881 -11.254 710 HA ALA 93 HA ALA 93 0.832 17.544 -10.652 711 HB1 ALA 93 1HB ALA 93 2.450 15.029 -10.302 712 HB2 ALA 93 2HB ALA 93 2.951 16.600 -9.675 713 HB3 ALA 93 3HB ALA 93 1.457 15.859 -9.103 714 H LEU 94 H LEU 94 2.475 15.284 -12.849 715 HA LEU 94 HA LEU 94 4.465 17.149 -13.661 716 HB2 LEU 94 1HB LEU 94 3.524 14.488 -14.627 717 HB3 LEU 94 2HB LEU 94 4.589 15.450 -15.652 718 HG LEU 94 HG LEU 94 5.337 14.791 -12.821 719 HD11 LEU 94 1HD1 LEU 94 6.185 13.125 -15.163 720 HD12 LEU 94 2HD1 LEU 94 4.743 12.730 -14.229 721 HD13 LEU 94 3HD1 LEU 94 6.320 12.772 -13.440 722 HD21 LEU 94 1HD2 LEU 94 7.612 14.842 -14.221 723 HD22 LEU 94 2HD2 LEU 94 6.889 16.287 -13.516 724 HD23 LEU 94 3HD2 LEU 94 6.642 15.921 -15.224 725 H ARG 95 H ARG 95 1.430 16.026 -15.119 726 HA ARG 95 HA ARG 95 0.063 16.953 -16.684 727 HB2 ARG 95 1HB ARG 95 0.457 18.990 -15.195 728 HB3 ARG 95 2HB ARG 95 1.635 19.507 -16.393 729 HG2 ARG 95 1HG ARG 95 -0.041 19.687 -18.077 730 HG3 ARG 95 2HG ARG 95 -1.244 18.926 -17.033 731 HD2 ARG 95 1HD ARG 95 -0.950 20.846 -15.451 732 HD3 ARG 95 2HD ARG 95 0.057 21.619 -16.674 733 HE ARG 95 HE ARG 95 -2.462 20.869 -17.747 734 HH11 ARG 95 1HH1 ARG 95 -0.910 23.241 -15.726 735 HH12 ARG 95 2HH1 ARG 95 -2.068 24.483 -16.071 736 HH21 ARG 95 1HH2 ARG 95 -3.992 22.496 -18.210 737 HH22 ARG 95 2HH2 ARG 95 -3.821 24.058 -17.483 738 H SER 96 H SER 96 2.216 15.491 -17.607 739 HA SER 96 HA SER 96 3.472 16.971 -19.764 740 HB2 SER 96 1HB SER 96 4.711 15.238 -18.446 741 HB3 SER 96 2HB SER 96 3.654 14.013 -19.149 742 HG SER 96 HG SER 96 5.754 15.408 -20.283 743 H PHE 97 H PHE 97 0.706 16.938 -20.000 744 HA PHE 97 HA PHE 97 0.042 14.895 -21.968 745 HB2 PHE 97 1HB PHE 97 -1.630 15.439 -20.266 746 HB3 PHE 97 2HB PHE 97 -1.632 17.121 -20.787 747 HD1 PHE 97 2HD PHE 97 -2.221 13.687 -22.103 748 HD2 PHE 97 1HD PHE 97 -3.203 17.823 -22.319 749 HE1 PHE 97 2HE PHE 97 -3.999 13.176 -23.725 750 HE2 PHE 97 1HE PHE 97 -4.985 17.319 -23.940 751 HZ PHE 97 HZ PHE 97 -5.383 14.993 -24.646 752 H LYS 98 H LYS 98 -0.008 15.214 -24.106 753 HA LYS 98 HA LYS 98 0.235 17.974 -25.107 754 HB2 LYS 98 1HB LYS 98 2.355 16.511 -25.198 755 HB3 LYS 98 2HB LYS 98 1.524 15.618 -26.466 756 HG2 LYS 98 1HG LYS 98 1.376 17.606 -27.826 757 HG3 LYS 98 2HG LYS 98 2.089 18.575 -26.534 758 HD2 LYS 98 1HD LYS 98 3.933 18.187 -27.850 759 HD3 LYS 98 2HD LYS 98 4.039 16.829 -26.726 760 HE2 LYS 98 1HE LYS 98 4.401 15.970 -28.917 761 HE3 LYS 98 2HE LYS 98 2.793 15.456 -28.409 762 HZ1 LYS 98 1HZ LYS 98 3.090 17.936 -29.958 763 HZ2 LYS 98 2HZ LYS 98 1.775 16.875 -29.875 764 HZ3 LYS 98 3HZ LYS 98 3.151 16.448 -30.761 765 H SER 99 H SER 99 -0.743 18.420 -27.110 766 HA SER 99 HA SER 99 -3.227 17.559 -27.619 767 HB2 SER 99 1HB SER 99 -1.847 19.347 -28.863 768 HB3 SER 99 2HB SER 99 -1.378 18.039 -29.949 769 HG SER 99 HG SER 99 -3.553 17.730 -30.448 770 H GLY 100 H GLY 100 -0.387 16.169 -29.281 771 HA2 GLY 100 1HA GLY 100 -1.118 13.501 -29.002 772 HA3 GLY 100 2HA GLY 100 -1.850 14.065 -30.495 773 HA PRO 101 HA PRO 101 2.715 12.803 -31.003 774 HB2 PRO 101 1HB PRO 101 2.331 10.413 -32.231 775 HB3 PRO 101 2HB PRO 101 2.488 10.578 -30.479 776 HG2 PRO 101 1HG PRO 101 0.014 10.303 -32.141 777 HG3 PRO 101 2HG PRO 101 0.421 9.521 -30.602 778 HD2 PRO 101 1HD PRO 101 -1.217 11.671 -30.754 779 HD3 PRO 101 2HD PRO 101 -0.156 11.375 -29.362 780 H SER 102 H SER 102 -0.045 12.097 -33.141 781 HA SER 102 HA SER 102 1.328 13.559 -35.282 782 HB2 SER 102 1HB SER 102 0.700 11.869 -36.930 783 HB3 SER 102 2HB SER 102 1.686 11.139 -35.663 784 HG SER 102 HG SER 102 -0.965 10.714 -36.313 785 H SER 103 H SER 103 -0.001 14.689 -36.672 786 HA SER 103 HA SER 103 -2.832 14.813 -35.872 787 HB2 SER 103 1HB SER 103 -2.783 17.132 -36.808 788 HB3 SER 103 2HB SER 103 -1.697 16.905 -35.438 789 HG SER 103 HG SER 103 -0.614 17.998 -37.074 790 H GLY 104 H GLY 104 -3.608 13.230 -37.267 791 HA2 GLY 104 1HA GLY 104 -4.448 14.034 -39.794 792 HA3 GLY 104 2HA GLY 104 -2.975 13.103 -40.028 Start of MODEL 15 1 H1 GLY 1 H GLY 1 13.901 -26.231 -13.612 2 HA2 GLY 1 1HA GLY 1 15.307 -27.040 -15.598 3 HA3 GLY 1 2HA GLY 1 16.277 -27.811 -14.352 4 H SER 2 H SER 2 15.250 -29.452 -13.023 5 HA SER 2 HA SER 2 13.104 -30.835 -14.493 6 HB2 SER 2 1HB SER 2 14.014 -32.935 -13.643 7 HB3 SER 2 2HB SER 2 15.275 -32.030 -14.482 8 HG SER 2 HG SER 2 14.879 -32.233 -11.679 9 H SER 3 H SER 3 12.429 -28.865 -12.661 10 HA SER 3 HA SER 3 10.824 -30.393 -10.819 11 HB2 SER 3 1HB SER 3 11.609 -29.342 -8.783 12 HB3 SER 3 2HB SER 3 12.978 -30.110 -9.586 13 HG SER 3 HG SER 3 12.558 -27.486 -9.006 14 H GLY 4 H GLY 4 8.875 -29.514 -10.963 15 HA2 GLY 4 1HA GLY 4 8.590 -26.758 -11.861 16 HA3 GLY 4 2HA GLY 4 7.301 -27.943 -11.702 17 H SER 5 H SER 5 9.692 -26.596 -9.427 18 HA SER 5 HA SER 5 7.598 -25.317 -7.894 19 HB2 SER 5 1HB SER 5 7.453 -27.568 -6.996 20 HB3 SER 5 2HB SER 5 9.197 -27.617 -6.743 21 HG SER 5 HG SER 5 7.424 -26.844 -5.023 22 H SER 6 H SER 6 8.350 -23.690 -6.581 23 HA SER 6 HA SER 6 11.267 -23.324 -6.446 24 HB2 SER 6 1HB SER 6 10.477 -21.868 -8.214 25 HB3 SER 6 2HB SER 6 9.205 -21.230 -7.173 26 HG SER 6 HG SER 6 11.029 -19.841 -7.280 27 H GLY 7 H GLY 7 12.033 -22.104 -4.661 28 HA2 GLY 7 1HA GLY 7 10.049 -21.669 -2.521 29 HA3 GLY 7 2HA GLY 7 11.537 -22.548 -2.203 30 H LYS 8 H LYS 8 10.161 -19.730 -1.614 31 HA LYS 8 HA LYS 8 12.707 -18.256 -1.770 32 HB2 LYS 8 1HB LYS 8 9.933 -17.387 -2.452 33 HB3 LYS 8 2HB LYS 8 11.035 -16.205 -1.758 34 HG2 LYS 8 1HG LYS 8 12.620 -16.603 -3.563 35 HG3 LYS 8 2HG LYS 8 11.540 -17.816 -4.252 36 HD2 LYS 8 1HD LYS 8 10.743 -14.945 -3.813 37 HD3 LYS 8 2HD LYS 8 11.435 -15.540 -5.324 38 HE2 LYS 8 1HE LYS 8 9.569 -17.246 -5.352 39 HE3 LYS 8 2HE LYS 8 8.836 -16.337 -4.032 40 HZ1 LYS 8 1HZ LYS 8 7.979 -15.729 -6.249 41 HZ2 LYS 8 2HZ LYS 8 9.520 -15.180 -6.679 42 HZ3 LYS 8 3HZ LYS 8 8.669 -14.419 -5.430 43 H GLU 9 H GLU 9 9.536 -18.205 -0.131 44 HA GLU 9 HA GLU 9 10.962 -17.736 2.399 45 HB2 GLU 9 1HB GLU 9 9.361 -16.134 3.108 46 HB3 GLU 9 2HB GLU 9 9.841 -15.665 1.482 47 HG2 GLU 9 1HG GLU 9 7.817 -16.289 0.560 48 HG3 GLU 9 2HG GLU 9 7.423 -17.365 1.899 49 H ALA 10 H ALA 10 9.656 -18.310 4.327 50 HA ALA 10 HA ALA 10 7.365 -19.982 4.060 51 HB1 ALA 10 1HB ALA 10 8.325 -22.099 4.700 52 HB2 ALA 10 2HB ALA 10 9.111 -21.522 3.230 53 HB3 ALA 10 3HB ALA 10 9.934 -21.382 4.783 54 H LEU 11 H LEU 11 6.251 -19.515 5.829 55 HA LEU 11 HA LEU 11 7.497 -19.681 8.438 56 HB2 LEU 11 1HB LEU 11 7.971 -17.407 8.011 57 HB3 LEU 11 2HB LEU 11 6.371 -17.125 7.329 58 HG LEU 11 HG LEU 11 5.441 -17.516 9.639 59 HD11 LEU 11 1HD1 LEU 11 8.364 -17.647 10.225 60 HD12 LEU 11 2HD1 LEU 11 7.047 -18.637 10.851 61 HD13 LEU 11 3HD1 LEU 11 7.255 -16.983 11.425 62 HD21 LEU 11 1HD2 LEU 11 5.339 -15.301 9.448 63 HD22 LEU 11 2HD2 LEU 11 6.876 -15.231 8.586 64 HD23 LEU 11 3HD2 LEU 11 6.853 -15.239 10.350 65 H GLU 12 H GLU 12 6.078 -20.256 10.021 66 HA GLU 12 HA GLU 12 3.214 -20.038 9.544 67 HB2 GLU 12 1HB GLU 12 4.739 -22.590 9.556 68 HB3 GLU 12 2HB GLU 12 3.190 -22.574 10.386 69 HG2 GLU 12 1HG GLU 12 2.000 -22.302 8.463 70 HG3 GLU 12 2HG GLU 12 3.310 -21.460 7.640 71 H ALA 13 H ALA 13 2.101 -19.677 11.374 72 HA ALA 13 HA ALA 13 2.770 -20.678 13.919 73 HB1 ALA 13 1HB ALA 13 3.411 -17.752 13.647 74 HB2 ALA 13 2HB ALA 13 3.687 -18.805 15.034 75 HB3 ALA 13 3HB ALA 13 4.638 -19.016 13.563 76 H LEU 14 H LEU 14 0.887 -20.771 14.941 77 HA LEU 14 HA LEU 14 -1.525 -19.929 14.152 78 HB2 LEU 14 1HB LEU 14 -0.657 -19.803 17.034 79 HB3 LEU 14 2HB LEU 14 -2.298 -20.027 16.433 80 HG LEU 14 HG LEU 14 -1.217 -22.181 15.336 81 HD11 LEU 14 1HD1 LEU 14 0.859 -22.612 15.978 82 HD12 LEU 14 2HD1 LEU 14 0.287 -22.756 17.640 83 HD13 LEU 14 3HD1 LEU 14 0.864 -21.202 17.038 84 HD21 LEU 14 1HD2 LEU 14 -3.095 -22.188 16.872 85 HD22 LEU 14 2HD2 LEU 14 -2.007 -21.942 18.238 86 HD23 LEU 14 3HD2 LEU 14 -1.940 -23.445 17.316 87 H VAL 15 H VAL 15 0.722 -17.964 16.065 88 HA VAL 15 HA VAL 15 -1.043 -15.686 16.081 89 HB VAL 15 HB VAL 15 1.860 -15.914 16.888 90 HG11 VAL 15 1HG1 VAL 15 0.850 -13.609 16.222 91 HG12 VAL 15 2HG1 VAL 15 0.026 -13.730 17.777 92 HG13 VAL 15 3HG1 VAL 15 1.788 -13.758 17.707 93 HG21 VAL 15 1HG2 VAL 15 -0.698 -16.009 18.477 94 HG22 VAL 15 2HG2 VAL 15 0.503 -17.287 18.301 95 HG23 VAL 15 3HG2 VAL 15 0.902 -15.821 19.195 96 HA PRO 16 HA PRO 16 0.185 -13.990 12.198 97 HB2 PRO 16 1HB PRO 16 -0.645 -11.438 12.610 98 HB3 PRO 16 2HB PRO 16 -1.762 -12.773 12.295 99 HG2 PRO 16 1HG PRO 16 -0.999 -11.516 14.903 100 HG3 PRO 16 2HG PRO 16 -2.600 -12.012 14.326 101 HD2 PRO 16 1HD PRO 16 -1.141 -13.511 16.046 102 HD3 PRO 16 2HD PRO 16 -2.240 -14.228 14.850 103 H VAL 17 H VAL 17 1.334 -11.913 11.401 104 HA VAL 17 HA VAL 17 3.380 -10.999 13.285 105 HB VAL 17 HB VAL 17 5.090 -11.279 11.401 106 HG11 VAL 17 1HG1 VAL 17 5.038 -12.602 13.493 107 HG12 VAL 17 2HG1 VAL 17 4.019 -13.792 12.680 108 HG13 VAL 17 3HG1 VAL 17 5.666 -13.507 12.116 109 HG21 VAL 17 1HG2 VAL 17 4.315 -12.048 9.463 110 HG22 VAL 17 2HG2 VAL 17 4.097 -13.612 10.247 111 HG23 VAL 17 3HG2 VAL 17 2.759 -12.467 10.180 112 H THR 18 H THR 18 4.561 -9.108 12.523 113 HA THR 18 HA THR 18 2.877 -7.452 10.772 114 HB THR 18 HB THR 18 4.985 -6.511 12.722 115 HG1 THR 18 1HG THR 18 2.487 -7.431 13.169 116 HG21 THR 18 1HG2 THR 18 2.865 -4.657 12.108 117 HG22 THR 18 2HG2 THR 18 3.669 -5.192 10.632 118 HG23 THR 18 3HG2 THR 18 4.608 -4.460 11.932 119 H ILE 19 H ILE 19 3.639 -6.650 8.907 120 HA ILE 19 HA ILE 19 6.479 -7.129 8.281 121 HB ILE 19 HB ILE 19 5.788 -7.144 5.895 122 HG12 ILE 19 1HG1 ILE 19 2.952 -7.468 6.831 123 HG13 ILE 19 2HG1 ILE 19 3.601 -5.866 6.497 124 HG21 ILE 19 1HG2 ILE 19 5.680 -9.359 6.061 125 HG22 ILE 19 2HG2 ILE 19 5.551 -9.152 7.808 126 HG23 ILE 19 3HG2 ILE 19 4.093 -9.285 6.825 127 HD11 ILE 19 1HD1 ILE 19 2.390 -6.762 4.590 128 HD12 ILE 19 2HD1 ILE 19 4.099 -6.539 4.213 129 HD13 ILE 19 3HD1 ILE 19 3.472 -8.153 4.547 130 H GLU 20 H GLU 20 7.052 -5.638 6.241 131 HA GLU 20 HA GLU 20 6.225 -2.895 6.925 132 HB2 GLU 20 1HB GLU 20 8.949 -4.052 6.538 133 HB3 GLU 20 2HB GLU 20 8.664 -2.396 6.022 134 HG2 GLU 20 1HG GLU 20 7.807 -1.922 8.325 135 HG3 GLU 20 2HG GLU 20 8.362 -3.529 8.788 136 H VAL 21 H VAL 21 5.369 -1.801 5.292 137 HA VAL 21 HA VAL 21 5.937 -2.710 2.545 138 HB VAL 21 HB VAL 21 3.464 -1.189 3.320 139 HG11 VAL 21 1HG1 VAL 21 3.697 -1.191 1.009 140 HG12 VAL 21 2HG1 VAL 21 4.354 -2.829 0.977 141 HG13 VAL 21 3HG1 VAL 21 2.639 -2.571 1.300 142 HG21 VAL 21 1HG2 VAL 21 2.829 -2.935 4.566 143 HG22 VAL 21 2HG2 VAL 21 2.637 -3.792 3.036 144 HG23 VAL 21 3HG2 VAL 21 4.132 -3.956 3.957 145 H GLU 22 H GLU 22 6.619 -1.256 1.067 146 HA GLU 22 HA GLU 22 7.410 1.355 2.022 147 HB2 GLU 22 1HB GLU 22 7.899 -0.233 -0.469 148 HB3 GLU 22 2HB GLU 22 8.217 1.497 -0.467 149 HG2 GLU 22 1HG GLU 22 9.910 1.310 1.117 150 HG3 GLU 22 2HG GLU 22 9.370 -0.282 1.643 151 H VAL 23 H VAL 23 5.650 2.656 2.253 152 HA VAL 23 HA VAL 23 4.210 3.333 -0.219 153 HB VAL 23 HB VAL 23 2.952 2.987 2.505 154 HG11 VAL 23 1HG1 VAL 23 1.033 3.385 0.452 155 HG12 VAL 23 2HG1 VAL 23 1.352 4.387 1.870 156 HG13 VAL 23 3HG1 VAL 23 2.211 4.694 0.360 157 HG21 VAL 23 1HG2 VAL 23 2.694 1.462 -0.078 158 HG22 VAL 23 2HG2 VAL 23 3.240 0.858 1.487 159 HG23 VAL 23 3HG2 VAL 23 1.550 1.311 1.256 160 HA PRO 24 HA PRO 24 5.609 7.383 0.957 161 HB2 PRO 24 1HB PRO 24 4.348 8.726 -1.038 162 HB3 PRO 24 2HB PRO 24 5.823 7.786 -1.294 163 HG2 PRO 24 1HG PRO 24 2.978 7.030 -1.835 164 HG3 PRO 24 2HG PRO 24 4.416 6.762 -2.837 165 HD2 PRO 24 1HD PRO 24 3.334 4.819 -1.291 166 HD3 PRO 24 2HD PRO 24 5.076 4.920 -1.617 167 H PHE 25 H PHE 25 4.811 8.816 2.369 168 HA PHE 25 HA PHE 25 2.284 8.625 3.490 169 HB2 PHE 25 1HB PHE 25 4.270 9.762 4.511 170 HB3 PHE 25 2HB PHE 25 3.991 11.120 3.425 171 HD1 PHE 25 1HD PHE 25 1.805 12.367 3.596 172 HD2 PHE 25 2HD PHE 25 3.105 9.568 6.527 173 HE1 PHE 25 1HE PHE 25 0.233 13.341 5.219 174 HE2 PHE 25 2HE PHE 25 1.534 10.537 8.154 175 HZ PHE 25 HZ PHE 25 0.096 12.427 7.501 176 H ASP 26 H ASP 26 3.371 10.452 0.725 177 HA ASP 26 HA ASP 26 1.274 12.280 0.484 178 HB2 ASP 26 1HB ASP 26 3.051 10.966 -1.567 179 HB3 ASP 26 2HB ASP 26 1.840 12.167 -2.009 180 H LEU 27 H LEU 27 1.290 8.889 0.102 181 HA LEU 27 HA LEU 27 -1.177 8.910 -1.477 182 HB2 LEU 27 1HB LEU 27 0.736 6.727 -0.694 183 HB3 LEU 27 2HB LEU 27 -0.825 6.398 -1.443 184 HG LEU 27 HG LEU 27 1.424 7.982 -2.686 185 HD11 LEU 27 1HD1 LEU 27 0.388 5.261 -3.448 186 HD12 LEU 27 2HD1 LEU 27 1.811 5.521 -2.439 187 HD13 LEU 27 3HD1 LEU 27 1.790 6.107 -4.103 188 HD21 LEU 27 1HD2 LEU 27 -0.378 7.190 -4.639 189 HD22 LEU 27 2HD2 LEU 27 -0.172 8.818 -3.992 190 HD23 LEU 27 3HD2 LEU 27 -1.394 7.745 -3.307 191 H HIS 28 H HIS 28 0.078 8.097 1.689 192 HA HIS 28 HA HIS 28 -1.792 6.542 2.847 193 HB2 HIS 28 1HB HIS 28 -0.570 9.051 4.011 194 HB3 HIS 28 2HB HIS 28 -1.443 7.848 4.956 195 HD2 HIS 28 2HD HIS 28 0.948 6.392 2.305 196 HE1 HIS 28 1HE HIS 28 2.871 6.096 6.074 197 HE2 HIS 28 2HE HIS 28 2.985 5.505 3.629 198 H ARG 29 H ARG 29 -2.100 10.099 2.905 199 HA ARG 29 HA ARG 29 -4.584 10.407 3.907 200 HB2 ARG 29 1HB ARG 29 -4.835 12.403 2.406 201 HB3 ARG 29 2HB ARG 29 -3.316 12.335 3.290 202 HG2 ARG 29 1HG ARG 29 -2.117 11.674 1.354 203 HG3 ARG 29 2HG ARG 29 -3.608 11.386 0.453 204 HD2 ARG 29 1HD ARG 29 -3.006 13.444 -0.364 205 HD3 ARG 29 2HD ARG 29 -4.048 13.915 0.979 206 HE ARG 29 HE ARG 29 -1.546 13.813 2.062 207 HH11 ARG 29 1HH1 ARG 29 -2.992 15.474 -0.634 208 HH12 ARG 29 2HH1 ARG 29 -1.931 16.841 -0.530 209 HH21 ARG 29 1HH2 ARG 29 -0.144 15.606 2.210 210 HH22 ARG 29 2HH2 ARG 29 -0.311 16.914 1.088 211 H TYR 30 H TYR 30 -3.795 9.250 0.693 212 HA TYR 30 HA TYR 30 -6.561 9.240 -0.161 213 HB2 TYR 30 1HB TYR 30 -4.110 8.083 -1.506 214 HB3 TYR 30 2HB TYR 30 -5.697 8.280 -2.243 215 HD1 TYR 30 2HD TYR 30 -6.430 10.989 -1.320 216 HD2 TYR 30 1HD TYR 30 -2.714 9.482 -2.744 217 HE1 TYR 30 2HE TYR 30 -5.807 13.248 -2.065 218 HE2 TYR 30 1HE TYR 30 -2.080 11.737 -3.492 219 HH TYR 30 HH TYR 30 -3.498 13.909 -4.199 220 H VAL 31 H VAL 31 -4.127 6.918 0.893 221 HA VAL 31 HA VAL 31 -5.597 4.574 0.341 222 HB VAL 31 HB VAL 31 -3.472 5.029 2.442 223 HG11 VAL 31 1HG1 VAL 31 -3.208 2.655 2.531 224 HG12 VAL 31 2HG1 VAL 31 -4.915 3.018 2.796 225 HG13 VAL 31 3HG1 VAL 31 -4.371 2.422 1.227 226 HG21 VAL 31 1HG2 VAL 31 -3.231 3.900 -0.346 227 HG22 VAL 31 2HG2 VAL 31 -2.754 5.529 0.133 228 HG23 VAL 31 3HG2 VAL 31 -1.922 4.130 0.813 229 H ILE 32 H ILE 32 -5.129 6.332 3.408 230 HA ILE 32 HA ILE 32 -6.781 4.779 5.007 231 HB ILE 32 HB ILE 32 -6.352 7.762 5.212 232 HG12 ILE 32 1HG1 ILE 32 -4.885 5.684 6.803 233 HG13 ILE 32 2HG1 ILE 32 -4.334 6.104 5.185 234 HG21 ILE 32 1HG2 ILE 32 -8.264 6.813 6.524 235 HG22 ILE 32 2HG2 ILE 32 -7.092 5.823 7.392 236 HG23 ILE 32 3HG2 ILE 32 -7.009 7.582 7.495 237 HD11 ILE 32 1HD1 ILE 32 -3.090 7.398 6.731 238 HD12 ILE 32 2HD1 ILE 32 -4.233 8.485 5.942 239 HD13 ILE 32 3HD1 ILE 32 -4.550 7.907 7.577 240 H GLY 33 H GLY 33 -7.627 7.763 3.242 241 HA2 GLY 33 1HA GLY 33 -9.665 8.070 2.074 242 HA3 GLY 33 2HA GLY 33 -10.374 6.770 3.019 243 H GLN 34 H GLN 34 -12.101 8.532 3.050 244 HA GLN 34 HA GLN 34 -11.672 10.777 4.770 245 HB2 GLN 34 1HB GLN 34 -13.332 10.969 3.048 246 HB3 GLN 34 2HB GLN 34 -14.175 9.539 3.626 247 HG2 GLN 34 1HG GLN 34 -15.109 10.640 5.413 248 HG3 GLN 34 2HG GLN 34 -13.852 11.878 5.442 249 HE21 GLN 34 1HE2 GLN 34 -15.223 13.608 5.395 250 HE22 GLN 34 2HE2 GLN 34 -16.198 14.011 4.027 251 H LYS 35 H LYS 35 -13.690 7.854 5.107 252 HA LYS 35 HA LYS 35 -13.485 8.168 8.029 253 HB2 LYS 35 1HB LYS 35 -15.776 8.188 6.696 254 HB3 LYS 35 2HB LYS 35 -15.578 6.443 6.781 255 HG2 LYS 35 1HG LYS 35 -15.704 6.422 9.111 256 HG3 LYS 35 2HG LYS 35 -15.388 8.154 9.233 257 HD2 LYS 35 1HD LYS 35 -17.840 7.079 7.870 258 HD3 LYS 35 2HD LYS 35 -17.789 7.360 9.612 259 HE2 LYS 35 1HE LYS 35 -16.911 9.719 8.903 260 HE3 LYS 35 2HE LYS 35 -17.668 9.322 7.362 261 HZ1 LYS 35 1HZ LYS 35 -19.008 9.408 10.010 262 HZ2 LYS 35 2HZ LYS 35 -19.751 8.920 8.572 263 HZ3 LYS 35 3HZ LYS 35 -19.210 10.512 8.745 264 H GLY 36 H GLY 36 -11.336 7.005 6.908 265 HA2 GLY 36 1HA GLY 36 -10.093 5.065 6.743 266 HA3 GLY 36 2HA GLY 36 -10.919 4.678 8.245 267 H SER 37 H SER 37 -12.086 4.895 4.891 268 HA SER 37 HA SER 37 -13.314 2.259 5.227 269 HB2 SER 37 1HB SER 37 -14.791 4.051 4.462 270 HB3 SER 37 2HB SER 37 -13.724 4.368 3.093 271 HG SER 37 HG SER 37 -14.151 2.037 2.591 272 H GLY 38 H GLY 38 -11.568 4.024 2.659 273 HA2 GLY 38 1HA GLY 38 -11.030 2.144 0.840 274 HA3 GLY 38 2HA GLY 38 -9.789 3.274 1.360 275 H ILE 39 H ILE 39 -9.334 2.362 3.948 276 HA ILE 39 HA ILE 39 -7.716 0.049 3.386 277 HB ILE 39 HB ILE 39 -8.126 1.610 5.937 278 HG12 ILE 39 1HG1 ILE 39 -5.854 1.544 3.939 279 HG13 ILE 39 2HG1 ILE 39 -6.993 2.867 4.170 280 HG21 ILE 39 1HG2 ILE 39 -6.055 -0.505 5.368 281 HG22 ILE 39 2HG2 ILE 39 -6.280 0.387 6.872 282 HG23 ILE 39 3HG2 ILE 39 -7.507 -0.759 6.335 283 HD11 ILE 39 1HD1 ILE 39 -6.137 3.123 6.480 284 HD12 ILE 39 2HD1 ILE 39 -4.919 1.900 6.118 285 HD13 ILE 39 3HD1 ILE 39 -4.928 3.423 5.231 286 H ARG 40 H ARG 40 -10.493 0.778 5.468 287 HA ARG 40 HA ARG 40 -10.789 -1.522 6.886 288 HB2 ARG 40 1HB ARG 40 -12.301 0.542 6.836 289 HB3 ARG 40 2HB ARG 40 -13.138 -0.241 5.502 290 HG2 ARG 40 1HG ARG 40 -13.837 -2.040 6.876 291 HG3 ARG 40 2HG ARG 40 -12.768 -1.537 8.187 292 HD2 ARG 40 1HD ARG 40 -14.079 0.554 8.394 293 HD3 ARG 40 2HD ARG 40 -15.181 -0.050 7.157 294 HE ARG 40 HE ARG 40 -16.149 -1.407 8.727 295 HH11 ARG 40 1HH1 ARG 40 -13.105 -0.233 9.945 296 HH12 ARG 40 2HH1 ARG 40 -13.355 -0.857 11.541 297 HH21 ARG 40 1HH2 ARG 40 -16.488 -2.234 10.826 298 HH22 ARG 40 2HH2 ARG 40 -15.279 -1.997 12.041 299 H LYS 41 H LYS 41 -11.785 -1.000 3.524 300 HA LYS 41 HA LYS 41 -13.111 -3.334 2.980 301 HB2 LYS 41 1HB LYS 41 -12.904 -1.591 1.320 302 HB3 LYS 41 2HB LYS 41 -11.164 -1.829 1.228 303 HG2 LYS 41 1HG LYS 41 -11.568 -4.108 0.351 304 HG3 LYS 41 2HG LYS 41 -13.298 -3.759 0.342 305 HD2 LYS 41 1HD LYS 41 -12.747 -3.239 -1.826 306 HD3 LYS 41 2HD LYS 41 -12.544 -1.665 -1.054 307 HE2 LYS 41 1HE LYS 41 -10.237 -3.560 -1.254 308 HE3 LYS 41 2HE LYS 41 -10.695 -2.570 -2.640 309 HZ1 LYS 41 1HZ LYS 41 -9.287 -1.824 -0.281 310 HZ2 LYS 41 2HZ LYS 41 -10.644 -0.842 -0.510 311 HZ3 LYS 41 3HZ LYS 41 -9.479 -0.971 -1.729 312 H MET 42 H MET 42 -9.593 -2.822 2.838 313 HA MET 42 HA MET 42 -8.968 -5.489 2.122 314 HB2 MET 42 1HB MET 42 -7.266 -3.386 3.470 315 HB3 MET 42 2HB MET 42 -6.658 -4.891 2.795 316 HG2 MET 42 1HG MET 42 -6.964 -4.205 0.627 317 HG3 MET 42 2HG MET 42 -8.220 -3.047 1.058 318 HE1 MET 42 1HE MET 42 -4.000 -2.867 2.347 319 HE2 MET 42 2HE MET 42 -4.752 -4.140 1.385 320 HE3 MET 42 3HE MET 42 -3.897 -2.819 0.587 321 H MET 43 H MET 43 -8.461 -3.812 5.235 322 HA MET 43 HA MET 43 -7.705 -5.924 6.787 323 HB2 MET 43 1HB MET 43 -9.473 -3.586 7.505 324 HB3 MET 43 2HB MET 43 -8.836 -4.711 8.697 325 HG2 MET 43 1HG MET 43 -6.536 -4.124 7.823 326 HG3 MET 43 2HG MET 43 -7.315 -2.809 6.947 327 HE1 MET 43 1HE MET 43 -9.303 -1.723 8.211 328 HE2 MET 43 2HE MET 43 -9.324 -1.337 9.932 329 HE3 MET 43 3HE MET 43 -8.377 -0.349 8.819 330 H ASP 44 H ASP 44 -10.943 -5.134 5.694 331 HA ASP 44 HA ASP 44 -12.161 -7.212 7.304 332 HB2 ASP 44 1HB ASP 44 -13.184 -5.177 5.349 333 HB3 ASP 44 2HB ASP 44 -14.204 -6.529 5.832 334 H GLU 45 H GLU 45 -11.138 -6.713 3.988 335 HA GLU 45 HA GLU 45 -12.403 -9.067 2.963 336 HB2 GLU 45 1HB GLU 45 -11.937 -7.252 1.450 337 HB3 GLU 45 2HB GLU 45 -10.227 -7.292 1.854 338 HG2 GLU 45 1HG GLU 45 -10.451 -8.316 -0.257 339 HG3 GLU 45 2HG GLU 45 -10.157 -9.610 0.901 340 H PHE 46 H PHE 46 -8.947 -8.255 3.340 341 HA PHE 46 HA PHE 46 -8.168 -11.005 3.154 342 HB2 PHE 46 1HB PHE 46 -6.620 -8.513 3.882 343 HB3 PHE 46 2HB PHE 46 -5.891 -10.107 3.716 344 HD1 PHE 46 1HD PHE 46 -6.094 -11.279 1.471 345 HD2 PHE 46 2HD PHE 46 -6.925 -7.142 2.027 346 HE1 PHE 46 1HE PHE 46 -5.817 -10.902 -0.945 347 HE2 PHE 46 2HE PHE 46 -6.652 -6.759 -0.388 348 HZ PHE 46 HZ PHE 46 -6.097 -8.640 -1.878 349 H GLU 47 H GLU 47 -9.454 -9.168 5.622 350 HA GLU 47 HA GLU 47 -9.729 -9.494 7.857 351 HB2 GLU 47 1HB GLU 47 -8.667 -12.242 7.181 352 HB3 GLU 47 2HB GLU 47 -9.375 -11.799 8.728 353 HG2 GLU 47 1HG GLU 47 -11.499 -11.364 7.685 354 HG3 GLU 47 2HG GLU 47 -10.811 -11.651 6.088 355 H VAL 48 H VAL 48 -7.494 -8.098 7.208 356 HA VAL 48 HA VAL 48 -5.532 -9.054 9.189 357 HB VAL 48 HB VAL 48 -3.922 -7.558 7.717 358 HG11 VAL 48 1HG1 VAL 48 -3.103 -9.548 6.671 359 HG12 VAL 48 2HG1 VAL 48 -3.717 -9.985 8.267 360 HG13 VAL 48 3HG1 VAL 48 -4.672 -10.338 6.826 361 HG21 VAL 48 1HG2 VAL 48 -6.092 -8.398 5.808 362 HG22 VAL 48 2HG2 VAL 48 -5.456 -6.778 6.088 363 HG23 VAL 48 3HG2 VAL 48 -4.458 -7.990 5.284 364 H ASN 49 H ASN 49 -3.938 -6.977 9.536 365 HA ASN 49 HA ASN 49 -5.660 -4.655 10.075 366 HB2 ASN 49 1HB ASN 49 -3.653 -5.843 12.005 367 HB3 ASN 49 2HB ASN 49 -4.592 -4.376 12.272 368 HD21 ASN 49 1HD2 ASN 49 -5.357 -5.422 14.189 369 HD22 ASN 49 2HD2 ASN 49 -6.651 -6.564 14.092 370 H ILE 50 H ILE 50 -4.866 -2.963 9.030 371 HA ILE 50 HA ILE 50 -1.971 -2.815 8.549 372 HB ILE 50 HB ILE 50 -4.194 -1.302 7.173 373 HG12 ILE 50 1HG1 ILE 50 -2.497 -3.564 6.102 374 HG13 ILE 50 2HG1 ILE 50 -4.128 -3.776 6.732 375 HG21 ILE 50 1HG2 ILE 50 -1.631 -0.504 7.391 376 HG22 ILE 50 2HG2 ILE 50 -1.521 -1.519 5.954 377 HG23 ILE 50 3HG2 ILE 50 -2.647 -0.163 5.992 378 HD11 ILE 50 1HD1 ILE 50 -4.049 -3.658 4.282 379 HD12 ILE 50 2HD1 ILE 50 -5.020 -2.368 4.993 380 HD13 ILE 50 3HD1 ILE 50 -3.396 -2.024 4.399 381 H HIS 51 H HIS 51 -0.773 -1.281 9.480 382 HA HIS 51 HA HIS 51 -2.169 0.915 10.863 383 HB2 HIS 51 1HB HIS 51 0.060 -0.860 11.714 384 HB3 HIS 51 2HB HIS 51 0.130 0.824 12.226 385 HD1 HIS 51 1HD HIS 51 -0.242 0.120 14.695 386 HD2 HIS 51 2HD HIS 51 -3.359 -0.888 12.140 387 HE1 HIS 51 1HE HIS 51 -2.164 -0.500 16.193 388 H VAL 52 H VAL 52 -1.681 2.911 10.230 389 HA VAL 52 HA VAL 52 0.680 3.287 8.516 390 HB VAL 52 HB VAL 52 -1.836 4.947 8.718 391 HG11 VAL 52 1HG1 VAL 52 -0.968 6.412 7.125 392 HG12 VAL 52 2HG1 VAL 52 0.386 6.141 8.222 393 HG13 VAL 52 3HG1 VAL 52 0.325 5.304 6.671 394 HG21 VAL 52 1HG2 VAL 52 -2.372 4.124 6.536 395 HG22 VAL 52 2HG2 VAL 52 -0.823 3.291 6.412 396 HG23 VAL 52 3HG2 VAL 52 -2.032 2.735 7.569 397 HA PRO 53 HA PRO 53 2.556 5.736 11.670 398 HB2 PRO 53 1HB PRO 53 4.356 7.053 10.122 399 HB3 PRO 53 2HB PRO 53 4.536 5.352 10.568 400 HG2 PRO 53 1HG PRO 53 3.501 6.545 8.024 401 HG3 PRO 53 2HG PRO 53 4.603 5.173 8.250 402 HD2 PRO 53 1HD PRO 53 1.969 4.853 7.711 403 HD3 PRO 53 2HD PRO 53 2.886 3.708 8.712 404 H ALA 54 H ALA 54 1.991 7.601 12.601 405 HA ALA 54 HA ALA 54 0.186 9.402 11.497 406 HB1 ALA 54 1HB ALA 54 1.730 10.763 13.462 407 HB2 ALA 54 2HB ALA 54 0.115 10.067 13.610 408 HB3 ALA 54 3HB ALA 54 1.535 9.083 13.965 409 HA PRO 55 HA PRO 55 2.413 12.344 9.122 410 HB2 PRO 55 1HB PRO 55 1.516 14.742 10.023 411 HB3 PRO 55 2HB PRO 55 0.520 13.645 9.058 412 HG2 PRO 55 1HG PRO 55 0.551 14.064 12.022 413 HG3 PRO 55 2HG PRO 55 -0.836 13.882 10.933 414 HD2 PRO 55 1HD PRO 55 0.092 11.849 12.463 415 HD3 PRO 55 2HD PRO 55 -0.643 11.585 10.869 416 H GLU 56 H GLU 56 2.580 12.764 12.601 417 HA GLU 56 HA GLU 56 4.706 14.649 12.610 418 HB2 GLU 56 1HB GLU 56 4.905 14.125 14.988 419 HB3 GLU 56 2HB GLU 56 3.220 14.351 14.535 420 HG2 GLU 56 1HG GLU 56 2.761 12.055 14.669 421 HG3 GLU 56 2HG GLU 56 4.472 11.631 14.682 422 H LEU 57 H LEU 57 4.548 11.139 12.645 423 HA LEU 57 HA LEU 57 7.280 10.680 13.235 424 HB2 LEU 57 1HB LEU 57 5.259 8.957 11.810 425 HB3 LEU 57 2HB LEU 57 6.850 8.409 12.333 426 HG LEU 57 HG LEU 57 4.689 9.395 14.192 427 HD11 LEU 57 1HD1 LEU 57 5.117 6.697 14.643 428 HD12 LEU 57 2HD1 LEU 57 5.061 6.838 12.887 429 HD13 LEU 57 3HD1 LEU 57 3.713 7.425 13.861 430 HD21 LEU 57 1HD2 LEU 57 6.226 8.043 15.795 431 HD22 LEU 57 2HD2 LEU 57 6.668 9.689 15.342 432 HD23 LEU 57 3HD2 LEU 57 7.453 8.317 14.558 433 H GLN 58 H GLN 58 5.604 11.586 10.363 434 HA GLN 58 HA GLN 58 6.244 11.856 8.189 435 HB2 GLN 58 1HB GLN 58 8.724 12.562 9.735 436 HB3 GLN 58 2HB GLN 58 8.681 12.678 7.981 437 HG2 GLN 58 1HG GLN 58 6.620 14.139 8.294 438 HG3 GLN 58 2HG GLN 58 7.086 14.223 9.992 439 HE21 GLN 58 1HE2 GLN 58 9.163 15.122 10.504 440 HE22 GLN 58 2HE2 GLN 58 9.876 16.298 9.459 441 H SER 59 H SER 59 6.080 9.238 8.671 442 HA SER 59 HA SER 59 8.519 8.085 7.486 443 HB2 SER 59 1HB SER 59 7.565 7.325 9.832 444 HB3 SER 59 2HB SER 59 6.470 6.370 8.832 445 HG SER 59 HG SER 59 9.175 6.280 8.189 446 H ASP 60 H ASP 60 8.262 6.446 5.884 447 HA ASP 60 HA ASP 60 5.675 6.579 4.476 448 HB2 ASP 60 1HB ASP 60 8.390 6.194 3.202 449 HB3 ASP 60 2HB ASP 60 6.852 6.420 2.373 450 H ILE 61 H ILE 61 6.785 4.645 6.498 451 HA ILE 61 HA ILE 61 6.627 2.203 4.853 452 HB ILE 61 HB ILE 61 7.802 2.320 7.621 453 HG12 ILE 61 1HG1 ILE 61 9.011 3.865 6.051 454 HG13 ILE 61 2HG1 ILE 61 9.998 2.549 6.677 455 HG21 ILE 61 1HG2 ILE 61 9.056 0.312 6.382 456 HG22 ILE 61 2HG2 ILE 61 7.522 0.107 7.228 457 HG23 ILE 61 3HG2 ILE 61 7.543 0.302 5.476 458 HD11 ILE 61 1HD1 ILE 61 9.847 1.367 4.613 459 HD12 ILE 61 2HD1 ILE 61 8.659 2.511 3.987 460 HD13 ILE 61 3HD1 ILE 61 10.322 3.029 4.264 461 H ILE 62 H ILE 62 4.748 1.192 5.015 462 HA ILE 62 HA ILE 62 3.066 1.623 7.364 463 HB ILE 62 HB ILE 62 2.514 0.453 4.648 464 HG12 ILE 62 1HG1 ILE 62 1.321 2.790 6.154 465 HG13 ILE 62 2HG1 ILE 62 2.519 2.910 4.870 466 HG21 ILE 62 1HG2 ILE 62 1.194 -0.147 7.143 467 HG22 ILE 62 2HG2 ILE 62 0.090 0.619 6.001 468 HG23 ILE 62 3HG2 ILE 62 0.951 -0.850 5.545 469 HD11 ILE 62 1HD1 ILE 62 -0.136 3.151 4.501 470 HD12 ILE 62 2HD1 ILE 62 0.994 2.626 3.253 471 HD13 ILE 62 3HD1 ILE 62 0.081 1.432 4.174 472 H ALA 63 H ALA 63 2.552 0.074 8.812 473 HA ALA 63 HA ALA 63 3.916 -2.509 8.529 474 HB1 ALA 63 1HB ALA 63 4.239 -0.954 10.553 475 HB2 ALA 63 2HB ALA 63 2.649 -1.524 11.059 476 HB3 ALA 63 3HB ALA 63 3.971 -2.672 10.850 477 H ILE 64 H ILE 64 2.773 -4.247 8.011 478 HA ILE 64 HA ILE 64 -0.131 -4.219 8.509 479 HB ILE 64 HB ILE 64 1.342 -5.826 6.419 480 HG12 ILE 64 1HG1 ILE 64 -0.307 -3.305 6.115 481 HG13 ILE 64 2HG1 ILE 64 1.441 -3.416 5.936 482 HG21 ILE 64 1HG2 ILE 64 -1.538 -5.528 7.177 483 HG22 ILE 64 2HG2 ILE 64 -1.082 -5.956 5.528 484 HG23 ILE 64 3HG2 ILE 64 -0.609 -6.996 6.871 485 HD11 ILE 64 1HD1 ILE 64 -0.716 -4.381 4.126 486 HD12 ILE 64 2HD1 ILE 64 0.744 -3.463 3.755 487 HD13 ILE 64 3HD1 ILE 64 0.854 -5.185 4.117 488 H THR 65 H THR 65 -0.870 -5.610 9.961 489 HA THR 65 HA THR 65 0.866 -7.807 10.829 490 HB THR 65 HB THR 65 -1.583 -6.628 12.156 491 HG1 THR 65 1HG THR 65 0.722 -5.590 12.058 492 HG21 THR 65 1HG2 THR 65 0.326 -8.782 13.071 493 HG22 THR 65 2HG2 THR 65 -1.396 -8.962 12.736 494 HG23 THR 65 3HG2 THR 65 -0.861 -7.992 14.108 495 H GLY 66 H GLY 66 0.217 -9.932 10.825 496 HA2 GLY 66 1HA GLY 66 -2.203 -11.098 10.631 497 HA3 GLY 66 2HA GLY 66 -1.916 -10.585 8.976 498 H LEU 67 H LEU 67 -2.262 -13.195 9.320 499 HA LEU 67 HA LEU 67 0.074 -14.674 9.933 500 HB2 LEU 67 1HB LEU 67 -2.405 -15.333 8.364 501 HB3 LEU 67 2HB LEU 67 -1.109 -16.498 8.630 502 HG LEU 67 HG LEU 67 -2.750 -15.188 10.797 503 HD11 LEU 67 1HD1 LEU 67 -4.262 -16.785 10.524 504 HD12 LEU 67 2HD1 LEU 67 -3.017 -18.030 10.624 505 HD13 LEU 67 3HD1 LEU 67 -3.414 -17.303 9.067 506 HD21 LEU 67 1HD2 LEU 67 -0.946 -15.741 12.018 507 HD22 LEU 67 2HD2 LEU 67 -0.324 -16.846 10.791 508 HD23 LEU 67 3HD2 LEU 67 -1.593 -17.377 11.896 509 H ALA 68 H ALA 68 1.678 -15.491 8.645 510 HA ALA 68 HA ALA 68 2.789 -14.116 6.629 511 HB1 ALA 68 1HB ALA 68 3.907 -16.007 7.608 512 HB2 ALA 68 2HB ALA 68 2.742 -17.119 6.889 513 HB3 ALA 68 3HB ALA 68 3.853 -16.218 5.857 514 H ALA 69 H ALA 69 0.243 -16.540 6.237 515 HA ALA 69 HA ALA 69 0.191 -16.545 3.420 516 HB1 ALA 69 1HB ALA 69 -2.103 -17.115 5.291 517 HB2 ALA 69 2HB ALA 69 -1.944 -17.644 3.616 518 HB3 ALA 69 3HB ALA 69 -0.852 -18.277 4.847 519 H ASN 70 H ASN 70 -1.944 -14.873 5.741 520 HA ASN 70 HA ASN 70 -3.411 -13.435 3.838 521 HB2 ASN 70 1HB ASN 70 -2.791 -12.612 6.684 522 HB3 ASN 70 2HB ASN 70 -4.121 -12.021 5.693 523 HD21 ASN 70 1HD2 ASN 70 -4.642 -13.076 8.128 524 HD22 ASN 70 2HD2 ASN 70 -5.428 -14.606 7.963 525 H LEU 71 H LEU 71 -0.642 -12.382 5.820 526 HA LEU 71 HA LEU 71 -0.309 -9.818 5.025 527 HB2 LEU 71 1HB LEU 71 1.926 -11.829 5.230 528 HB3 LEU 71 2HB LEU 71 2.079 -10.079 5.374 529 HG LEU 71 HG LEU 71 0.455 -11.741 7.289 530 HD11 LEU 71 1HD1 LEU 71 3.341 -11.482 7.047 531 HD12 LEU 71 2HD1 LEU 71 2.379 -12.590 8.026 532 HD13 LEU 71 3HD1 LEU 71 2.733 -10.968 8.621 533 HD21 LEU 71 1HD2 LEU 71 -0.221 -9.636 7.748 534 HD22 LEU 71 2HD2 LEU 71 1.209 -8.900 7.025 535 HD23 LEU 71 3HD2 LEU 71 1.294 -9.583 8.650 536 H ASP 72 H ASP 72 0.706 -12.684 3.206 537 HA ASP 72 HA ASP 72 1.991 -11.380 1.094 538 HB2 ASP 72 1HB ASP 72 0.743 -14.052 1.482 539 HB3 ASP 72 2HB ASP 72 1.067 -13.545 -0.173 540 H ARG 73 H ARG 73 -1.360 -12.592 1.235 541 HA ARG 73 HA ARG 73 -2.188 -11.587 -1.234 542 HB2 ARG 73 1HB ARG 73 -4.131 -11.651 1.025 543 HB3 ARG 73 2HB ARG 73 -4.313 -12.222 -0.627 544 HG2 ARG 73 1HG ARG 73 -2.489 -13.969 0.169 545 HG3 ARG 73 2HG ARG 73 -3.190 -13.594 1.746 546 HD2 ARG 73 1HD ARG 73 -4.840 -14.372 -0.649 547 HD3 ARG 73 2HD ARG 73 -4.213 -15.545 0.508 548 HE ARG 73 HE ARG 73 -5.502 -13.817 2.104 549 HH11 ARG 73 1HH1 ARG 73 -6.449 -15.429 -0.833 550 HH12 ARG 73 2HH1 ARG 73 -8.129 -15.487 -0.414 551 HH21 ARG 73 1HH2 ARG 73 -7.712 -13.887 2.666 552 HH22 ARG 73 2HH2 ARG 73 -8.847 -14.609 1.577 553 H ALA 74 H ALA 74 -2.691 -10.173 2.003 554 HA ALA 74 HA ALA 74 -3.891 -7.801 1.193 555 HB1 ALA 74 1HB ALA 74 -3.945 -7.417 3.380 556 HB2 ALA 74 2HB ALA 74 -3.021 -8.904 3.603 557 HB3 ALA 74 3HB ALA 74 -2.184 -7.357 3.470 558 H LYS 75 H LYS 75 -0.472 -8.186 2.150 559 HA LYS 75 HA LYS 75 0.503 -5.736 1.483 560 HB2 LYS 75 1HB LYS 75 1.801 -7.634 2.477 561 HB3 LYS 75 2HB LYS 75 1.930 -8.328 0.866 562 HG2 LYS 75 1HG LYS 75 3.079 -6.247 0.132 563 HG3 LYS 75 2HG LYS 75 3.069 -5.708 1.813 564 HD2 LYS 75 1HD LYS 75 4.445 -7.541 2.483 565 HD3 LYS 75 2HD LYS 75 4.290 -8.309 0.902 566 HE2 LYS 75 1HE LYS 75 5.477 -6.408 -0.112 567 HE3 LYS 75 2HE LYS 75 5.663 -5.686 1.485 568 HZ1 LYS 75 1HZ LYS 75 7.665 -6.811 0.967 569 HZ2 LYS 75 2HZ LYS 75 6.850 -8.221 0.507 570 HZ3 LYS 75 3HZ LYS 75 6.875 -7.749 2.132 571 H ALA 76 H ALA 76 -0.072 -8.438 -0.731 572 HA ALA 76 HA ALA 76 1.043 -7.379 -3.043 573 HB1 ALA 76 1HB ALA 76 0.395 -9.396 -3.711 574 HB2 ALA 76 2HB ALA 76 -0.743 -9.532 -2.369 575 HB3 ALA 76 3HB ALA 76 -1.242 -8.757 -3.873 576 H GLY 77 H GLY 77 -2.211 -6.927 -1.704 577 HA2 GLY 77 1HA GLY 77 -3.288 -5.449 -3.834 578 HA3 GLY 77 2HA GLY 77 -3.842 -5.383 -2.168 579 H LEU 78 H LEU 78 -1.834 -4.271 -0.800 580 HA LEU 78 HA LEU 78 -2.060 -1.549 -1.341 581 HB2 LEU 78 1HB LEU 78 -1.304 -2.854 0.794 582 HB3 LEU 78 2HB LEU 78 0.311 -2.622 0.124 583 HG LEU 78 HG LEU 78 -0.020 -0.192 0.188 584 HD11 LEU 78 1HD1 LEU 78 -1.984 0.644 1.533 585 HD12 LEU 78 2HD1 LEU 78 -2.702 -0.952 1.317 586 HD13 LEU 78 3HD1 LEU 78 -2.352 0.057 -0.087 587 HD21 LEU 78 1HD2 LEU 78 1.089 -0.974 2.074 588 HD22 LEU 78 2HD2 LEU 78 -0.339 -1.804 2.693 589 HD23 LEU 78 3HD2 LEU 78 -0.247 -0.042 2.754 590 H LEU 79 H LEU 79 0.813 -3.621 -1.777 591 HA LEU 79 HA LEU 79 2.564 -1.878 -2.894 592 HB2 LEU 79 1HB LEU 79 2.008 -4.753 -3.531 593 HB3 LEU 79 2HB LEU 79 3.292 -3.869 -4.354 594 HG LEU 79 HG LEU 79 3.113 -4.356 -1.380 595 HD11 LEU 79 1HD1 LEU 79 3.925 -6.078 -3.423 596 HD12 LEU 79 2HD1 LEU 79 4.220 -6.251 -1.693 597 HD13 LEU 79 3HD1 LEU 79 5.413 -5.448 -2.716 598 HD21 LEU 79 1HD2 LEU 79 4.336 -2.438 -1.426 599 HD22 LEU 79 2HD2 LEU 79 4.881 -2.691 -3.083 600 HD23 LEU 79 3HD2 LEU 79 5.628 -3.591 -1.763 601 H GLU 80 H GLU 80 0.146 -3.743 -4.734 602 HA GLU 80 HA GLU 80 0.688 -2.580 -7.228 603 HB2 GLU 80 1HB GLU 80 -1.823 -3.855 -6.139 604 HB3 GLU 80 2HB GLU 80 -1.637 -3.362 -7.816 605 HG2 GLU 80 1HG GLU 80 -0.192 -5.525 -6.332 606 HG3 GLU 80 2HG GLU 80 -1.167 -5.648 -7.796 607 H ARG 81 H ARG 81 -1.609 -1.688 -4.687 608 HA ARG 81 HA ARG 81 -2.976 0.330 -6.039 609 HB2 ARG 81 1HB ARG 81 -3.280 -0.743 -3.635 610 HB3 ARG 81 2HB ARG 81 -2.359 0.671 -3.140 611 HG2 ARG 81 1HG ARG 81 -4.472 1.486 -2.936 612 HG3 ARG 81 2HG ARG 81 -4.144 1.929 -4.613 613 HD2 ARG 81 1HD ARG 81 -5.297 -0.079 -5.377 614 HD3 ARG 81 2HD ARG 81 -5.595 -0.556 -3.706 615 HE ARG 81 HE ARG 81 -7.327 0.944 -3.621 616 HH11 ARG 81 1HH1 ARG 81 -5.368 1.604 -6.422 617 HH12 ARG 81 2HH1 ARG 81 -6.476 2.759 -7.086 618 HH21 ARG 81 1HH2 ARG 81 -8.792 2.465 -4.484 619 HH22 ARG 81 2HH2 ARG 81 -8.423 3.249 -5.982 620 H VAL 82 H VAL 82 0.044 0.449 -4.201 621 HA VAL 82 HA VAL 82 0.387 3.256 -4.336 622 HB VAL 82 HB VAL 82 2.448 1.074 -3.989 623 HG11 VAL 82 1HG1 VAL 82 4.013 2.697 -3.355 624 HG12 VAL 82 2HG1 VAL 82 3.258 3.360 -4.806 625 HG13 VAL 82 3HG1 VAL 82 2.785 3.955 -3.214 626 HG21 VAL 82 1HG2 VAL 82 2.039 2.547 -1.623 627 HG22 VAL 82 2HG2 VAL 82 0.440 2.146 -2.251 628 HG23 VAL 82 3HG2 VAL 82 1.612 0.864 -1.940 629 H LYS 83 H LYS 83 1.457 0.595 -6.398 630 HA LYS 83 HA LYS 83 3.082 2.178 -8.104 631 HB2 LYS 83 1HB LYS 83 1.762 -0.503 -8.557 632 HB3 LYS 83 2HB LYS 83 2.940 0.219 -9.644 633 HG2 LYS 83 1HG LYS 83 4.669 0.038 -8.046 634 HG3 LYS 83 2HG LYS 83 3.530 -0.340 -6.752 635 HD2 LYS 83 1HD LYS 83 4.569 -2.384 -7.375 636 HD3 LYS 83 2HD LYS 83 2.932 -2.423 -8.035 637 HE2 LYS 83 1HE LYS 83 4.097 -3.119 -9.869 638 HE3 LYS 83 2HE LYS 83 4.141 -1.379 -10.140 639 HZ1 LYS 83 1HZ LYS 83 6.317 -1.923 -8.554 640 HZ2 LYS 83 2HZ LYS 83 6.336 -1.570 -10.207 641 HZ3 LYS 83 3HZ LYS 83 6.294 -3.179 -9.687 642 H GLU 84 H GLU 84 -0.280 1.086 -8.265 643 HA GLU 84 HA GLU 84 -0.783 2.190 -10.842 644 HB2 GLU 84 1HB GLU 84 -2.181 0.400 -10.076 645 HB3 GLU 84 2HB GLU 84 -2.621 1.289 -8.624 646 HG2 GLU 84 1HG GLU 84 -4.487 1.653 -9.850 647 HG3 GLU 84 2HG GLU 84 -3.525 3.026 -10.395 648 H LEU 85 H LEU 85 -1.750 3.224 -7.570 649 HA LEU 85 HA LEU 85 -3.058 5.553 -8.163 650 HB2 LEU 85 1HB LEU 85 -1.260 4.842 -5.868 651 HB3 LEU 85 2HB LEU 85 -2.088 6.396 -5.947 652 HG LEU 85 HG LEU 85 -3.584 3.792 -6.075 653 HD11 LEU 85 1HD1 LEU 85 -2.917 3.392 -3.983 654 HD12 LEU 85 2HD1 LEU 85 -3.959 4.742 -3.535 655 HD13 LEU 85 3HD1 LEU 85 -2.235 5.008 -3.793 656 HD21 LEU 85 1HD2 LEU 85 -4.774 5.789 -6.799 657 HD22 LEU 85 2HD2 LEU 85 -4.369 6.596 -5.284 658 HD23 LEU 85 3HD2 LEU 85 -5.430 5.187 -5.277 659 H GLN 86 H GLN 86 0.416 5.362 -7.358 660 HA GLN 86 HA GLN 86 1.106 7.974 -7.885 661 HB2 GLN 86 1HB GLN 86 3.377 7.210 -8.152 662 HB3 GLN 86 2HB GLN 86 2.606 6.256 -6.893 663 HG2 GLN 86 1HG GLN 86 2.271 4.429 -8.468 664 HG3 GLN 86 2HG GLN 86 3.019 5.388 -9.745 665 HE21 GLN 86 1HE2 GLN 86 3.824 4.675 -6.360 666 HE22 GLN 86 2HE2 GLN 86 5.436 4.140 -6.679 667 H ALA 87 H ALA 87 0.920 5.265 -10.162 668 HA ALA 87 HA ALA 87 1.948 6.436 -12.433 669 HB1 ALA 87 1HB ALA 87 -0.452 4.853 -12.959 670 HB2 ALA 87 2HB ALA 87 1.217 4.594 -13.471 671 HB3 ALA 87 3HB ALA 87 0.695 4.074 -11.868 672 H GLU 88 H GLU 88 -1.139 6.983 -10.896 673 HA GLU 88 HA GLU 88 -2.106 8.574 -13.137 674 HB2 GLU 88 1HB GLU 88 -3.392 7.923 -10.480 675 HB3 GLU 88 2HB GLU 88 -4.165 8.804 -11.791 676 HG2 GLU 88 1HG GLU 88 -3.229 5.945 -11.868 677 HG3 GLU 88 2HG GLU 88 -4.898 6.502 -11.766 678 H GLN 89 H GLN 89 -2.113 9.180 -9.627 679 HA GLN 89 HA GLN 89 -2.314 11.892 -9.645 680 HB2 GLN 89 1HB GLN 89 -1.235 11.907 -7.459 681 HB3 GLN 89 2HB GLN 89 -2.325 10.534 -7.599 682 HG2 GLN 89 1HG GLN 89 -0.637 9.007 -7.580 683 HG3 GLN 89 2HG GLN 89 0.530 10.122 -8.290 684 HE21 GLN 89 1HE2 GLN 89 2.101 9.731 -6.768 685 HE22 GLN 89 2HE2 GLN 89 1.973 10.257 -5.129 686 H GLU 90 H GLU 90 0.426 10.005 -10.579 687 HA GLU 90 HA GLU 90 2.249 12.264 -10.498 688 HB2 GLU 90 1HB GLU 90 2.914 9.871 -9.963 689 HB3 GLU 90 2HB GLU 90 2.772 9.541 -11.684 690 HG2 GLU 90 1HG GLU 90 4.437 11.388 -12.061 691 HG3 GLU 90 2HG GLU 90 4.692 11.402 -10.317 692 H ASP 91 H ASP 91 0.543 10.299 -12.879 693 HA ASP 91 HA ASP 91 1.638 11.034 -15.244 694 HB2 ASP 91 1HB ASP 91 -1.159 10.476 -14.397 695 HB3 ASP 91 2HB ASP 91 -0.922 11.172 -15.998 696 H ARG 92 H ARG 92 -0.916 12.902 -13.596 697 HA ARG 92 HA ARG 92 -0.977 15.058 -15.352 698 HB2 ARG 92 1HB ARG 92 -1.944 16.338 -13.460 699 HB3 ARG 92 2HB ARG 92 -2.692 14.760 -13.677 700 HG2 ARG 92 1HG ARG 92 -1.487 13.863 -11.811 701 HG3 ARG 92 2HG ARG 92 -0.541 15.345 -11.657 702 HD2 ARG 92 1HD ARG 92 -3.537 15.239 -11.380 703 HD3 ARG 92 2HD ARG 92 -2.428 15.100 -10.018 704 HE ARG 92 HE ARG 92 -1.644 17.395 -11.199 705 HH11 ARG 92 1HH1 ARG 92 -4.743 16.202 -10.153 706 HH12 ARG 92 2HH1 ARG 92 -5.376 17.776 -9.801 707 HH21 ARG 92 1HH2 ARG 92 -2.467 19.473 -10.739 708 HH22 ARG 92 2HH2 ARG 92 -4.081 19.636 -10.135 709 H ALA 93 H ALA 93 1.241 14.312 -12.760 710 HA ALA 93 HA ALA 93 2.437 16.911 -12.645 711 HB1 ALA 93 1HB ALA 93 2.419 15.102 -10.826 712 HB2 ALA 93 2HB ALA 93 3.765 14.388 -11.716 713 HB3 ALA 93 3HB ALA 93 3.905 16.021 -11.065 714 H LEU 94 H LEU 94 3.325 13.817 -14.141 715 HA LEU 94 HA LEU 94 5.817 14.393 -15.118 716 HB2 LEU 94 1HB LEU 94 4.475 12.247 -15.322 717 HB3 LEU 94 2HB LEU 94 3.735 12.967 -16.751 718 HG LEU 94 HG LEU 94 6.264 13.235 -17.484 719 HD11 LEU 94 1HD1 LEU 94 6.293 11.157 -15.343 720 HD12 LEU 94 2HD1 LEU 94 7.477 12.409 -15.712 721 HD13 LEU 94 3HD1 LEU 94 7.349 10.985 -16.744 722 HD21 LEU 94 1HD2 LEU 94 4.189 11.682 -18.246 723 HD22 LEU 94 2HD2 LEU 94 5.356 10.450 -17.765 724 HD23 LEU 94 3HD2 LEU 94 5.784 11.639 -18.997 725 H ARG 95 H ARG 95 2.773 15.685 -16.148 726 HA ARG 95 HA ARG 95 3.474 16.573 -18.719 727 HB2 ARG 95 1HB ARG 95 1.156 16.503 -17.873 728 HB3 ARG 95 2HB ARG 95 1.530 17.818 -16.767 729 HG2 ARG 95 1HG ARG 95 0.492 18.918 -18.500 730 HG3 ARG 95 2HG ARG 95 2.196 19.101 -18.919 731 HD2 ARG 95 1HD ARG 95 0.508 16.849 -19.974 732 HD3 ARG 95 2HD ARG 95 0.612 18.410 -20.787 733 HE ARG 95 HE ARG 95 2.643 16.361 -20.680 734 HH11 ARG 95 1HH1 ARG 95 1.948 19.724 -21.255 735 HH12 ARG 95 2HH1 ARG 95 3.364 19.986 -22.219 736 HH21 ARG 95 1HH2 ARG 95 4.510 16.695 -21.947 737 HH22 ARG 95 2HH2 ARG 95 4.819 18.262 -22.612 738 H SER 96 H SER 96 4.440 18.398 -19.475 739 HA SER 96 HA SER 96 6.050 20.032 -19.423 740 HB2 SER 96 1HB SER 96 5.254 22.089 -18.524 741 HB3 SER 96 2HB SER 96 3.821 21.195 -19.031 742 HG SER 96 HG SER 96 4.146 20.444 -16.602 743 H PHE 97 H PHE 97 6.727 17.884 -17.740 744 HA PHE 97 HA PHE 97 8.349 19.306 -15.755 745 HB2 PHE 97 1HB PHE 97 6.433 18.363 -14.542 746 HB3 PHE 97 2HB PHE 97 6.799 16.769 -15.194 747 HD1 PHE 97 2HD PHE 97 7.843 19.367 -12.833 748 HD2 PHE 97 1HD PHE 97 8.616 15.458 -14.330 749 HE1 PHE 97 2HE PHE 97 9.326 18.931 -10.919 750 HE2 PHE 97 1HE PHE 97 10.099 15.016 -12.417 751 HZ PHE 97 HZ PHE 97 10.457 16.754 -10.710 752 H LYS 98 H LYS 98 10.427 18.718 -15.787 753 HA LYS 98 HA LYS 98 11.440 16.981 -17.745 754 HB2 LYS 98 1HB LYS 98 12.567 18.462 -15.427 755 HB3 LYS 98 2HB LYS 98 13.534 17.149 -16.086 756 HG2 LYS 98 1HG LYS 98 14.331 18.857 -17.345 757 HG3 LYS 98 2HG LYS 98 12.975 18.371 -18.365 758 HD2 LYS 98 1HD LYS 98 12.461 20.383 -16.240 759 HD3 LYS 98 2HD LYS 98 13.375 20.899 -17.660 760 HE2 LYS 98 1HE LYS 98 10.679 19.546 -17.727 761 HE3 LYS 98 2HE LYS 98 10.942 21.282 -17.880 762 HZ1 LYS 98 1HZ LYS 98 11.085 19.299 -19.874 763 HZ2 LYS 98 2HZ LYS 98 12.599 20.038 -19.730 764 HZ3 LYS 98 3HZ LYS 98 11.227 20.976 -20.040 765 H SER 99 H SER 99 11.852 14.858 -17.773 766 HA SER 99 HA SER 99 11.073 13.280 -15.457 767 HB2 SER 99 1HB SER 99 10.429 12.818 -17.936 768 HB3 SER 99 2HB SER 99 12.045 12.120 -18.054 769 HG SER 99 HG SER 99 11.241 10.980 -15.989 770 H GLY 100 H GLY 100 13.860 13.370 -17.689 771 HA2 GLY 100 1HA GLY 100 16.016 13.617 -16.275 772 HA3 GLY 100 2HA GLY 100 15.481 12.087 -15.597 773 HA PRO 101 HA PRO 101 17.814 11.705 -19.801 774 HB2 PRO 101 1HB PRO 101 20.400 11.615 -18.979 775 HB3 PRO 101 2HB PRO 101 19.599 13.113 -19.471 776 HG2 PRO 101 1HG PRO 101 20.099 12.047 -16.718 777 HG3 PRO 101 2HG PRO 101 20.282 13.703 -17.327 778 HD2 PRO 101 1HD PRO 101 18.126 12.907 -15.895 779 HD3 PRO 101 2HD PRO 101 18.026 14.147 -17.161 780 H SER 102 H SER 102 17.317 10.166 -16.934 781 HA SER 102 HA SER 102 18.877 8.038 -16.578 782 HB2 SER 102 1HB SER 102 15.883 8.218 -16.640 783 HB3 SER 102 2HB SER 102 16.659 6.661 -16.348 784 HG SER 102 HG SER 102 17.692 7.560 -14.558 785 H SER 103 H SER 103 16.296 8.019 -19.041 786 HA SER 103 HA SER 103 17.598 5.748 -20.344 787 HB2 SER 103 1HB SER 103 15.539 5.501 -21.608 788 HB3 SER 103 2HB SER 103 15.148 5.664 -19.896 789 HG SER 103 HG SER 103 14.620 7.831 -20.277 790 H GLY 104 H GLY 104 16.358 8.988 -21.152 791 HA2 GLY 104 1HA GLY 104 18.169 10.235 -22.493 792 HA3 GLY 104 2HA GLY 104 17.954 8.908 -23.625 Start of MODEL 16 1 H1 GLY 1 H GLY 1 19.299 -24.424 -21.084 2 HA2 GLY 1 1HA GLY 1 18.946 -22.402 -19.084 3 HA3 GLY 1 2HA GLY 1 17.412 -22.985 -19.710 4 H SER 2 H SER 2 20.178 -23.711 -17.763 5 HA SER 2 HA SER 2 19.028 -26.332 -17.078 6 HB2 SER 2 1HB SER 2 21.431 -26.191 -17.920 7 HB3 SER 2 2HB SER 2 21.814 -25.387 -16.398 8 HG SER 2 HG SER 2 21.557 -27.218 -15.344 9 H SER 3 H SER 3 17.470 -25.516 -15.639 10 HA SER 3 HA SER 3 18.458 -25.091 -12.969 11 HB2 SER 3 1HB SER 3 18.449 -22.789 -14.052 12 HB3 SER 3 2HB SER 3 16.693 -22.932 -14.131 13 HG SER 3 HG SER 3 16.976 -23.439 -11.746 14 H GLY 4 H GLY 4 17.248 -26.438 -11.823 15 HA2 GLY 4 1HA GLY 4 14.484 -26.946 -12.668 16 HA3 GLY 4 2HA GLY 4 15.436 -27.964 -11.599 17 H SER 5 H SER 5 12.842 -26.029 -11.651 18 HA SER 5 HA SER 5 13.270 -24.585 -9.188 19 HB2 SER 5 1HB SER 5 11.825 -23.741 -11.072 20 HB3 SER 5 2HB SER 5 10.663 -25.002 -10.662 21 HG SER 5 HG SER 5 11.584 -23.237 -8.677 22 H SER 6 H SER 6 13.547 -25.948 -7.492 23 HA SER 6 HA SER 6 11.227 -27.560 -6.727 24 HB2 SER 6 1HB SER 6 12.961 -29.026 -7.847 25 HB3 SER 6 2HB SER 6 14.041 -28.641 -6.508 26 HG SER 6 HG SER 6 11.454 -29.740 -6.151 27 H GLY 7 H GLY 7 10.597 -26.754 -4.840 28 HA2 GLY 7 1HA GLY 7 12.554 -26.462 -2.698 29 HA3 GLY 7 2HA GLY 7 11.685 -25.007 -3.162 30 H LYS 8 H LYS 8 11.714 -26.649 -0.655 31 HA LYS 8 HA LYS 8 8.812 -27.137 -0.492 32 HB2 LYS 8 1HB LYS 8 11.013 -28.522 1.050 33 HB3 LYS 8 2HB LYS 8 9.289 -28.798 1.264 34 HG2 LYS 8 1HG LYS 8 10.434 -29.155 -1.451 35 HG3 LYS 8 2HG LYS 8 10.777 -30.380 -0.229 36 HD2 LYS 8 1HD LYS 8 8.839 -31.229 -1.091 37 HD3 LYS 8 2HD LYS 8 8.169 -30.195 0.173 38 HE2 LYS 8 1HE LYS 8 7.380 -28.652 -1.320 39 HE3 LYS 8 2HE LYS 8 8.631 -29.005 -2.512 40 HZ1 LYS 8 1HZ LYS 8 6.812 -31.189 -2.006 41 HZ2 LYS 8 2HZ LYS 8 7.377 -30.569 -3.474 42 HZ3 LYS 8 3HZ LYS 8 6.079 -29.825 -2.685 43 H GLU 9 H GLU 9 7.763 -26.558 1.461 44 HA GLU 9 HA GLU 9 9.226 -25.106 3.486 45 HB2 GLU 9 1HB GLU 9 8.136 -22.997 3.214 46 HB3 GLU 9 2HB GLU 9 8.827 -23.433 1.658 47 HG2 GLU 9 1HG GLU 9 6.555 -24.311 1.023 48 HG3 GLU 9 2HG GLU 9 5.946 -23.555 2.493 49 H ALA 10 H ALA 10 8.262 -25.296 5.418 50 HA ALA 10 HA ALA 10 5.392 -25.794 5.577 51 HB1 ALA 10 1HB ALA 10 5.642 -27.988 5.833 52 HB2 ALA 10 2HB ALA 10 7.398 -27.847 5.918 53 HB3 ALA 10 3HB ALA 10 6.426 -27.643 7.375 54 H LEU 11 H LEU 11 4.772 -24.204 6.893 55 HA LEU 11 HA LEU 11 5.973 -24.030 9.538 56 HB2 LEU 11 1HB LEU 11 7.261 -22.386 8.441 57 HB3 LEU 11 2HB LEU 11 5.862 -21.766 7.567 58 HG LEU 11 HG LEU 11 4.968 -20.890 9.703 59 HD11 LEU 11 1HD1 LEU 11 5.782 -21.977 11.504 60 HD12 LEU 11 2HD1 LEU 11 7.008 -20.713 11.437 61 HD13 LEU 11 3HD1 LEU 11 7.340 -22.300 10.744 62 HD21 LEU 11 1HD2 LEU 11 7.541 -20.017 8.512 63 HD22 LEU 11 2HD2 LEU 11 7.030 -19.249 10.015 64 HD23 LEU 11 3HD2 LEU 11 5.988 -19.186 8.592 65 H GLU 12 H GLU 12 4.503 -23.638 11.093 66 HA GLU 12 HA GLU 12 1.852 -22.659 10.272 67 HB2 GLU 12 1HB GLU 12 1.601 -25.021 10.577 68 HB3 GLU 12 2HB GLU 12 2.495 -24.981 12.090 69 HG2 GLU 12 1HG GLU 12 0.379 -25.097 12.900 70 HG3 GLU 12 2HG GLU 12 0.557 -23.346 12.799 71 H ALA 13 H ALA 13 1.378 -20.835 11.284 72 HA ALA 13 HA ALA 13 2.132 -20.525 14.101 73 HB1 ALA 13 1HB ALA 13 3.758 -19.375 12.475 74 HB2 ALA 13 2HB ALA 13 2.450 -18.221 12.212 75 HB3 ALA 13 3HB ALA 13 3.124 -18.437 13.826 76 H LEU 14 H LEU 14 0.335 -20.161 15.209 77 HA LEU 14 HA LEU 14 -2.109 -19.378 13.986 78 HB2 LEU 14 1HB LEU 14 -1.448 -19.369 16.923 79 HB3 LEU 14 2HB LEU 14 -3.049 -19.452 16.191 80 HG LEU 14 HG LEU 14 -2.036 -21.682 15.155 81 HD11 LEU 14 1HD1 LEU 14 -0.031 -22.173 15.982 82 HD12 LEU 14 2HD1 LEU 14 -0.841 -22.493 17.514 83 HD13 LEU 14 3HD1 LEU 14 -0.139 -20.906 17.203 84 HD21 LEU 14 1HD2 LEU 14 -3.972 -22.012 16.301 85 HD22 LEU 14 2HD2 LEU 14 -3.433 -21.089 17.704 86 HD23 LEU 14 3HD2 LEU 14 -2.850 -22.736 17.453 87 H VAL 15 H VAL 15 0.120 -17.721 16.210 88 HA VAL 15 HA VAL 15 -1.341 -15.270 16.186 89 HB VAL 15 HB VAL 15 0.077 -15.770 18.073 90 HG11 VAL 15 1HG1 VAL 15 2.673 -15.432 17.440 91 HG12 VAL 15 2HG1 VAL 15 1.885 -17.009 17.534 92 HG13 VAL 15 3HG1 VAL 15 2.095 -16.219 15.971 93 HG21 VAL 15 1HG2 VAL 15 -0.050 -13.499 18.021 94 HG22 VAL 15 2HG2 VAL 15 1.691 -13.672 17.800 95 HG23 VAL 15 3HG2 VAL 15 0.649 -13.385 16.406 96 HA PRO 16 HA PRO 16 0.077 -13.640 12.333 97 HB2 PRO 16 1HB PRO 16 -0.593 -11.044 12.762 98 HB3 PRO 16 2HB PRO 16 -1.786 -12.298 12.401 99 HG2 PRO 16 1HG PRO 16 -1.009 -11.128 15.044 100 HG3 PRO 16 2HG PRO 16 -2.624 -11.510 14.422 101 HD2 PRO 16 1HD PRO 16 -1.311 -13.124 16.156 102 HD3 PRO 16 2HD PRO 16 -2.424 -13.751 14.922 103 H VAL 17 H VAL 17 1.269 -11.433 11.698 104 HA VAL 17 HA VAL 17 3.362 -10.762 13.613 105 HB VAL 17 HB VAL 17 5.005 -11.045 11.559 106 HG11 VAL 17 1HG1 VAL 17 5.644 -13.248 12.449 107 HG12 VAL 17 2HG1 VAL 17 5.311 -12.082 13.731 108 HG13 VAL 17 3HG1 VAL 17 4.119 -13.320 13.331 109 HG21 VAL 17 1HG2 VAL 17 2.744 -12.098 10.434 110 HG22 VAL 17 2HG2 VAL 17 4.394 -12.415 9.894 111 HG23 VAL 17 3HG2 VAL 17 3.593 -13.540 10.990 112 H THR 18 H THR 18 4.557 -8.865 13.047 113 HA THR 18 HA THR 18 2.990 -7.030 11.413 114 HB THR 18 HB THR 18 5.390 -6.418 13.146 115 HG1 THR 18 1HG THR 18 2.606 -6.209 13.735 116 HG21 THR 18 1HG2 THR 18 4.302 -4.115 13.109 117 HG22 THR 18 2HG2 THR 18 3.332 -4.712 11.764 118 HG23 THR 18 3HG2 THR 18 5.088 -4.640 11.621 119 H ILE 19 H ILE 19 3.531 -6.516 9.402 120 HA ILE 19 HA ILE 19 6.286 -7.061 8.510 121 HB ILE 19 HB ILE 19 5.416 -7.308 6.254 122 HG12 ILE 19 1HG1 ILE 19 2.623 -7.096 7.362 123 HG13 ILE 19 2HG1 ILE 19 3.467 -5.693 6.716 124 HG21 ILE 19 1HG2 ILE 19 4.923 -9.461 6.597 125 HG22 ILE 19 2HG2 ILE 19 5.114 -9.093 8.310 126 HG23 ILE 19 3HG2 ILE 19 3.510 -9.075 7.578 127 HD11 ILE 19 1HD1 ILE 19 1.889 -7.376 5.281 128 HD12 ILE 19 2HD1 ILE 19 3.134 -6.325 4.603 129 HD13 ILE 19 3HD1 ILE 19 3.498 -8.016 4.948 130 H GLU 20 H GLU 20 6.940 -5.664 6.587 131 HA GLU 20 HA GLU 20 6.071 -2.888 7.063 132 HB2 GLU 20 1HB GLU 20 8.785 -4.076 6.700 133 HB3 GLU 20 2HB GLU 20 8.495 -2.452 6.092 134 HG2 GLU 20 1HG GLU 20 7.860 -1.696 8.290 135 HG3 GLU 20 2HG GLU 20 8.003 -3.333 8.927 136 H VAL 21 H VAL 21 5.234 -1.854 5.377 137 HA VAL 21 HA VAL 21 5.698 -2.969 2.687 138 HB VAL 21 HB VAL 21 3.314 -1.315 3.501 139 HG11 VAL 21 1HG1 VAL 21 2.362 -1.966 1.457 140 HG12 VAL 21 2HG1 VAL 21 4.036 -1.564 1.066 141 HG13 VAL 21 3HG1 VAL 21 3.545 -3.252 1.218 142 HG21 VAL 21 1HG2 VAL 21 2.707 -3.084 4.744 143 HG22 VAL 21 2HG2 VAL 21 2.340 -3.838 3.194 144 HG23 VAL 21 3HG2 VAL 21 3.886 -4.151 3.983 145 H GLU 22 H GLU 22 6.370 -1.646 1.075 146 HA GLU 22 HA GLU 22 7.370 0.954 1.825 147 HB2 GLU 22 1HB GLU 22 7.643 -0.848 -0.531 148 HB3 GLU 22 2HB GLU 22 7.941 0.868 -0.774 149 HG2 GLU 22 1HG GLU 22 9.751 0.883 0.698 150 HG3 GLU 22 2HG GLU 22 9.286 -0.652 1.428 151 H VAL 23 H VAL 23 5.960 2.580 1.933 152 HA VAL 23 HA VAL 23 4.450 3.286 -0.438 153 HB VAL 23 HB VAL 23 3.042 2.828 2.195 154 HG11 VAL 23 1HG1 VAL 23 1.003 3.418 0.844 155 HG12 VAL 23 2HG1 VAL 23 2.096 4.760 1.186 156 HG13 VAL 23 3HG1 VAL 23 2.096 4.006 -0.409 157 HG21 VAL 23 1HG2 VAL 23 3.320 0.725 1.175 158 HG22 VAL 23 2HG2 VAL 23 1.686 1.232 0.750 159 HG23 VAL 23 3HG2 VAL 23 2.987 1.368 -0.432 160 HA PRO 24 HA PRO 24 5.857 7.218 1.063 161 HB2 PRO 24 1HB PRO 24 4.657 8.726 -0.849 162 HB3 PRO 24 2HB PRO 24 6.123 7.784 -1.149 163 HG2 PRO 24 1HG PRO 24 3.277 7.118 -1.796 164 HG3 PRO 24 2HG PRO 24 4.730 6.901 -2.788 165 HD2 PRO 24 1HD PRO 24 3.588 4.867 -1.412 166 HD3 PRO 24 2HD PRO 24 5.338 4.963 -1.697 167 H PHE 25 H PHE 25 5.058 8.649 2.492 168 HA PHE 25 HA PHE 25 2.494 8.391 3.565 169 HB2 PHE 25 1HB PHE 25 4.483 9.394 4.717 170 HB3 PHE 25 2HB PHE 25 4.255 10.842 3.740 171 HD1 PHE 25 1HD PHE 25 2.029 12.063 3.933 172 HD2 PHE 25 2HD PHE 25 3.330 9.118 6.717 173 HE1 PHE 25 1HE PHE 25 0.439 12.937 5.595 174 HE2 PHE 25 2HE PHE 25 1.742 9.986 8.383 175 HZ PHE 25 HZ PHE 25 0.293 11.897 7.824 176 H ASP 26 H ASP 26 3.555 10.053 0.780 177 HA ASP 26 HA ASP 26 1.592 12.093 0.668 178 HB2 ASP 26 1HB ASP 26 3.277 10.768 -1.454 179 HB3 ASP 26 2HB ASP 26 2.155 12.078 -1.813 180 H LEU 27 H LEU 27 1.402 8.735 0.276 181 HA LEU 27 HA LEU 27 -1.051 8.920 -1.325 182 HB2 LEU 27 1HB LEU 27 0.737 6.600 -0.628 183 HB3 LEU 27 2HB LEU 27 -0.820 6.415 -1.435 184 HG LEU 27 HG LEU 27 1.446 8.045 -2.567 185 HD11 LEU 27 1HD1 LEU 27 2.321 6.239 -3.615 186 HD12 LEU 27 2HD1 LEU 27 0.776 5.391 -3.688 187 HD13 LEU 27 3HD1 LEU 27 1.697 5.418 -2.185 188 HD21 LEU 27 1HD2 LEU 27 -0.360 6.907 -4.467 189 HD22 LEU 27 2HD2 LEU 27 -0.001 8.605 -4.151 190 HD23 LEU 27 3HD2 LEU 27 -1.275 7.789 -3.243 191 H HIS 28 H HIS 28 0.189 7.991 1.805 192 HA HIS 28 HA HIS 28 -1.724 6.453 2.930 193 HB2 HIS 28 1HB HIS 28 -0.380 8.873 4.140 194 HB3 HIS 28 2HB HIS 28 -1.325 7.714 5.071 195 HD2 HIS 28 2HD HIS 28 0.488 5.523 2.744 196 HE1 HIS 28 1HE HIS 28 3.236 6.156 5.914 197 HE2 HIS 28 2HE HIS 28 2.722 4.819 3.843 198 H ARG 29 H ARG 29 -1.915 10.016 2.859 199 HA ARG 29 HA ARG 29 -4.361 10.422 3.974 200 HB2 ARG 29 1HB ARG 29 -4.544 12.455 2.652 201 HB3 ARG 29 2HB ARG 29 -2.881 12.225 3.179 202 HG2 ARG 29 1HG ARG 29 -2.618 11.078 0.842 203 HG3 ARG 29 2HG ARG 29 -4.050 12.032 0.449 204 HD2 ARG 29 1HD ARG 29 -1.741 13.358 1.794 205 HD3 ARG 29 2HD ARG 29 -1.640 12.999 0.069 206 HE ARG 29 HE ARG 29 -4.078 14.287 0.585 207 HH11 ARG 29 1HH1 ARG 29 -0.660 14.947 0.563 208 HH12 ARG 29 2HH1 ARG 29 -0.854 16.627 0.184 209 HH21 ARG 29 1HH2 ARG 29 -4.347 16.495 0.085 210 HH22 ARG 29 2HH2 ARG 29 -2.953 17.507 -0.088 211 H TYR 30 H TYR 30 -3.694 9.288 0.709 212 HA TYR 30 HA TYR 30 -6.485 9.312 -0.039 213 HB2 TYR 30 1HB TYR 30 -4.082 8.156 -1.468 214 HB3 TYR 30 2HB TYR 30 -5.696 8.323 -2.152 215 HD1 TYR 30 2HD TYR 30 -6.578 10.942 -1.557 216 HD2 TYR 30 1HD TYR 30 -2.618 9.653 -2.425 217 HE1 TYR 30 2HE TYR 30 -6.018 13.207 -2.339 218 HE2 TYR 30 1HE TYR 30 -2.047 11.913 -3.207 219 HH TYR 30 HH TYR 30 -4.000 14.608 -2.621 220 H VAL 31 H VAL 31 -4.096 6.990 1.053 221 HA VAL 31 HA VAL 31 -5.572 4.644 0.479 222 HB VAL 31 HB VAL 31 -3.416 5.131 2.536 223 HG11 VAL 31 1HG1 VAL 31 -3.467 2.428 1.813 224 HG12 VAL 31 2HG1 VAL 31 -3.909 3.130 3.371 225 HG13 VAL 31 3HG1 VAL 31 -5.144 2.866 2.138 226 HG21 VAL 31 1HG2 VAL 31 -2.782 5.463 0.158 227 HG22 VAL 31 2HG2 VAL 31 -1.919 4.137 0.937 228 HG23 VAL 31 3HG2 VAL 31 -3.255 3.795 -0.163 229 H ILE 32 H ILE 32 -5.041 6.324 3.583 230 HA ILE 32 HA ILE 32 -6.757 4.808 5.142 231 HB ILE 32 HB ILE 32 -6.202 7.765 5.413 232 HG12 ILE 32 1HG1 ILE 32 -4.827 5.439 6.771 233 HG13 ILE 32 2HG1 ILE 32 -4.190 6.255 5.347 234 HG21 ILE 32 1HG2 ILE 32 -7.234 7.761 7.417 235 HG22 ILE 32 2HG2 ILE 32 -8.118 6.400 6.728 236 HG23 ILE 32 3HG2 ILE 32 -6.739 6.110 7.789 237 HD11 ILE 32 1HD1 ILE 32 -4.775 8.245 7.256 238 HD12 ILE 32 2HD1 ILE 32 -3.903 6.953 8.082 239 HD13 ILE 32 3HD1 ILE 32 -3.200 7.723 6.660 240 H GLY 33 H GLY 33 -7.522 8.003 3.730 241 HA2 GLY 33 1HA GLY 33 -9.546 8.363 2.472 242 HA3 GLY 33 2HA GLY 33 -10.301 7.078 3.404 243 H GLN 34 H GLN 34 -11.850 9.106 3.346 244 HA GLN 34 HA GLN 34 -11.276 11.159 5.256 245 HB2 GLN 34 1HB GLN 34 -13.623 11.826 4.908 246 HB3 GLN 34 2HB GLN 34 -12.764 11.610 3.389 247 HG2 GLN 34 1HG GLN 34 -13.774 9.342 3.219 248 HG3 GLN 34 2HG GLN 34 -14.739 9.722 4.645 249 HE21 GLN 34 1HE2 GLN 34 -15.496 9.135 1.845 250 HE22 GLN 34 2HE2 GLN 34 -16.475 10.470 1.348 251 H LYS 35 H LYS 35 -12.983 8.096 5.297 252 HA LYS 35 HA LYS 35 -13.285 8.380 8.212 253 HB2 LYS 35 1HB LYS 35 -15.434 8.530 6.691 254 HB3 LYS 35 2HB LYS 35 -15.269 6.780 6.649 255 HG2 LYS 35 1HG LYS 35 -15.085 7.083 9.264 256 HG3 LYS 35 2HG LYS 35 -15.969 8.570 8.912 257 HD2 LYS 35 1HD LYS 35 -17.794 7.401 8.008 258 HD3 LYS 35 2HD LYS 35 -16.865 5.910 7.842 259 HE2 LYS 35 1HE LYS 35 -16.995 5.424 10.101 260 HE3 LYS 35 2HE LYS 35 -17.298 7.103 10.548 261 HZ1 LYS 35 1HZ LYS 35 -19.354 6.067 8.866 262 HZ2 LYS 35 2HZ LYS 35 -19.477 6.793 10.389 263 HZ3 LYS 35 3HZ LYS 35 -19.176 5.133 10.265 264 H GLY 36 H GLY 36 -11.075 7.203 7.046 265 HA2 GLY 36 1HA GLY 36 -9.927 5.201 6.787 266 HA3 GLY 36 2HA GLY 36 -10.632 4.912 8.371 267 H SER 37 H SER 37 -12.209 5.064 5.197 268 HA SER 37 HA SER 37 -13.351 2.420 5.728 269 HB2 SER 37 1HB SER 37 -14.133 4.629 3.820 270 HB3 SER 37 2HB SER 37 -14.877 3.030 3.794 271 HG SER 37 HG SER 37 -14.751 4.359 6.242 272 H GLY 38 H GLY 38 -11.736 4.238 3.131 273 HA2 GLY 38 1HA GLY 38 -11.580 2.371 1.149 274 HA3 GLY 38 2HA GLY 38 -10.279 3.499 1.505 275 H ILE 39 H ILE 39 -9.510 2.534 4.021 276 HA ILE 39 HA ILE 39 -7.877 0.327 3.223 277 HB ILE 39 HB ILE 39 -8.212 1.770 5.845 278 HG12 ILE 39 1HG1 ILE 39 -6.017 1.642 3.770 279 HG13 ILE 39 2HG1 ILE 39 -7.020 3.031 4.172 280 HG21 ILE 39 1HG2 ILE 39 -7.657 -0.358 6.599 281 HG22 ILE 39 2HG2 ILE 39 -6.627 -0.689 5.207 282 HG23 ILE 39 3HG2 ILE 39 -6.090 0.437 6.453 283 HD11 ILE 39 1HD1 ILE 39 -4.661 1.924 5.558 284 HD12 ILE 39 2HD1 ILE 39 -5.174 3.597 5.339 285 HD13 ILE 39 3HD1 ILE 39 -5.943 2.594 6.567 286 H ARG 40 H ARG 40 -10.534 0.736 5.548 287 HA ARG 40 HA ARG 40 -10.646 -1.693 6.751 288 HB2 ARG 40 1HB ARG 40 -12.730 0.239 5.876 289 HB3 ARG 40 2HB ARG 40 -13.274 -1.354 6.385 290 HG2 ARG 40 1HG ARG 40 -11.993 -1.009 8.512 291 HG3 ARG 40 2HG ARG 40 -11.731 0.659 7.998 292 HD2 ARG 40 1HD ARG 40 -13.626 0.584 9.476 293 HD3 ARG 40 2HD ARG 40 -14.184 0.950 7.845 294 HE ARG 40 HE ARG 40 -14.300 -1.831 8.301 295 HH11 ARG 40 1HH1 ARG 40 -15.889 1.139 9.178 296 HH12 ARG 40 2HH1 ARG 40 -17.425 0.388 9.456 297 HH21 ARG 40 1HH2 ARG 40 -16.318 -2.833 8.663 298 HH22 ARG 40 2HH2 ARG 40 -17.668 -1.871 9.164 299 H LYS 41 H LYS 41 -11.843 -0.922 3.509 300 HA LYS 41 HA LYS 41 -13.157 -3.190 2.791 301 HB2 LYS 41 1HB LYS 41 -12.964 -1.385 1.232 302 HB3 LYS 41 2HB LYS 41 -11.213 -1.544 1.172 303 HG2 LYS 41 1HG LYS 41 -11.302 -3.453 -0.140 304 HG3 LYS 41 2HG LYS 41 -12.974 -3.801 0.307 305 HD2 LYS 41 1HD LYS 41 -12.197 -1.356 -1.265 306 HD3 LYS 41 2HD LYS 41 -12.580 -2.897 -2.037 307 HE2 LYS 41 1HE LYS 41 -14.744 -2.778 -0.605 308 HE3 LYS 41 2HE LYS 41 -14.358 -1.062 -0.477 309 HZ1 LYS 41 1HZ LYS 41 -15.851 -1.925 -2.399 310 HZ2 LYS 41 2HZ LYS 41 -14.380 -2.332 -3.126 311 HZ3 LYS 41 3HZ LYS 41 -14.699 -0.725 -2.704 312 H MET 42 H MET 42 -9.630 -2.733 2.638 313 HA MET 42 HA MET 42 -9.068 -5.363 1.753 314 HB2 MET 42 1HB MET 42 -7.283 -3.415 3.223 315 HB3 MET 42 2HB MET 42 -6.741 -4.855 2.372 316 HG2 MET 42 1HG MET 42 -7.024 -3.922 0.318 317 HG3 MET 42 2HG MET 42 -8.333 -2.870 0.853 318 HE1 MET 42 1HE MET 42 -4.119 -2.251 0.152 319 HE2 MET 42 2HE MET 42 -4.041 -2.703 1.855 320 HE3 MET 42 3HE MET 42 -4.837 -3.768 0.696 321 H MET 43 H MET 43 -8.492 -3.884 4.954 322 HA MET 43 HA MET 43 -7.698 -6.007 6.411 323 HB2 MET 43 1HB MET 43 -9.756 -3.969 7.282 324 HB3 MET 43 2HB MET 43 -8.837 -5.005 8.365 325 HG2 MET 43 1HG MET 43 -6.766 -3.942 7.257 326 HG3 MET 43 2HG MET 43 -7.895 -2.706 6.708 327 HE1 MET 43 1HE MET 43 -7.761 -0.295 8.659 328 HE2 MET 43 2HE MET 43 -9.009 -1.202 7.806 329 HE3 MET 43 3HE MET 43 -9.159 -0.911 9.539 330 H ASP 44 H ASP 44 -10.900 -5.490 5.131 331 HA ASP 44 HA ASP 44 -12.014 -7.730 6.614 332 HB2 ASP 44 1HB ASP 44 -13.095 -5.570 4.882 333 HB3 ASP 44 2HB ASP 44 -13.991 -7.086 4.921 334 H GLU 45 H GLU 45 -10.922 -6.946 3.376 335 HA GLU 45 HA GLU 45 -11.950 -9.279 2.117 336 HB2 GLU 45 1HB GLU 45 -10.981 -8.490 0.203 337 HB3 GLU 45 2HB GLU 45 -11.007 -7.000 1.135 338 HG2 GLU 45 1HG GLU 45 -8.692 -7.320 1.767 339 HG3 GLU 45 2HG GLU 45 -8.652 -8.860 0.911 340 H PHE 46 H PHE 46 -8.721 -8.409 3.326 341 HA PHE 46 HA PHE 46 -7.821 -11.157 2.939 342 HB2 PHE 46 1HB PHE 46 -6.333 -8.683 3.842 343 HB3 PHE 46 2HB PHE 46 -5.598 -10.266 3.610 344 HD1 PHE 46 1HD PHE 46 -5.709 -11.299 1.287 345 HD2 PHE 46 2HD PHE 46 -6.544 -7.198 2.064 346 HE1 PHE 46 1HE PHE 46 -5.324 -10.774 -1.085 347 HE2 PHE 46 2HE PHE 46 -6.162 -6.667 -0.308 348 HZ PHE 46 HZ PHE 46 -5.552 -8.456 -1.886 349 H GLU 47 H GLU 47 -9.315 -9.361 5.310 350 HA GLU 47 HA GLU 47 -9.759 -9.715 7.513 351 HB2 GLU 47 1HB GLU 47 -8.715 -12.411 6.700 352 HB3 GLU 47 2HB GLU 47 -9.142 -12.082 8.372 353 HG2 GLU 47 1HG GLU 47 -11.391 -11.266 7.358 354 HG3 GLU 47 2HG GLU 47 -10.896 -12.231 5.968 355 H VAL 48 H VAL 48 -7.497 -8.268 7.005 356 HA VAL 48 HA VAL 48 -5.695 -9.141 9.166 357 HB VAL 48 HB VAL 48 -3.919 -7.780 7.876 358 HG11 VAL 48 1HG1 VAL 48 -4.347 -10.144 6.244 359 HG12 VAL 48 2HG1 VAL 48 -3.049 -9.774 7.381 360 HG13 VAL 48 3HG1 VAL 48 -4.563 -10.465 7.965 361 HG21 VAL 48 1HG2 VAL 48 -4.332 -8.044 5.351 362 HG22 VAL 48 2HG2 VAL 48 -6.036 -8.167 5.787 363 HG23 VAL 48 3HG2 VAL 48 -5.126 -6.711 6.190 364 H ASN 49 H ASN 49 -4.171 -7.037 9.606 365 HA ASN 49 HA ASN 49 -5.973 -4.737 9.944 366 HB2 ASN 49 1HB ASN 49 -4.073 -5.828 12.033 367 HB3 ASN 49 2HB ASN 49 -5.055 -4.375 12.198 368 HD21 ASN 49 1HD2 ASN 49 -7.447 -4.767 11.799 369 HD22 ASN 49 2HD2 ASN 49 -8.119 -6.177 12.538 370 H ILE 50 H ILE 50 -5.148 -3.113 8.814 371 HA ILE 50 HA ILE 50 -2.256 -2.920 8.441 372 HB ILE 50 HB ILE 50 -4.516 -1.398 7.140 373 HG12 ILE 50 1HG1 ILE 50 -2.613 -3.431 5.961 374 HG13 ILE 50 2HG1 ILE 50 -4.239 -3.813 6.516 375 HG21 ILE 50 1HG2 ILE 50 -2.215 -1.064 5.625 376 HG22 ILE 50 2HG2 ILE 50 -2.994 0.146 6.644 377 HG23 ILE 50 3HG2 ILE 50 -1.683 -0.840 7.292 378 HD11 ILE 50 1HD1 ILE 50 -4.125 -3.514 4.094 379 HD12 ILE 50 2HD1 ILE 50 -5.179 -2.322 4.857 380 HD13 ILE 50 3HD1 ILE 50 -3.561 -1.860 4.330 381 H HIS 51 H HIS 51 -1.014 -1.367 9.319 382 HA HIS 51 HA HIS 51 -2.362 0.750 10.864 383 HB2 HIS 51 1HB HIS 51 -0.095 -1.054 11.587 384 HB3 HIS 51 2HB HIS 51 -0.092 0.590 12.220 385 HD1 HIS 51 1HD HIS 51 -0.905 0.509 14.546 386 HD2 HIS 51 2HD HIS 51 -3.041 -2.062 12.080 387 HE1 HIS 51 1HE HIS 51 -2.686 -0.499 16.008 388 H VAL 52 H VAL 52 -1.798 2.782 10.408 389 HA VAL 52 HA VAL 52 0.513 3.198 8.630 390 HB VAL 52 HB VAL 52 -1.946 4.916 8.992 391 HG11 VAL 52 1HG1 VAL 52 0.068 5.311 6.824 392 HG12 VAL 52 2HG1 VAL 52 -1.068 6.462 7.528 393 HG13 VAL 52 3HG1 VAL 52 0.372 5.982 8.426 394 HG21 VAL 52 1HG2 VAL 52 -2.757 4.088 7.000 395 HG22 VAL 52 2HG2 VAL 52 -1.166 3.564 6.445 396 HG23 VAL 52 3HG2 VAL 52 -2.009 2.650 7.697 397 HA PRO 53 HA PRO 53 2.513 5.412 11.883 398 HB2 PRO 53 1HB PRO 53 4.336 6.742 10.374 399 HB3 PRO 53 2HB PRO 53 4.464 5.016 10.734 400 HG2 PRO 53 1HG PRO 53 3.438 6.367 8.267 401 HG3 PRO 53 2HG PRO 53 4.495 4.950 8.410 402 HD2 PRO 53 1HD PRO 53 1.844 4.744 7.894 403 HD3 PRO 53 2HD PRO 53 2.734 3.522 8.825 404 H ALA 54 H ALA 54 2.252 7.334 12.886 405 HA ALA 54 HA ALA 54 0.372 9.189 12.079 406 HB1 ALA 54 1HB ALA 54 2.386 10.444 13.719 407 HB2 ALA 54 2HB ALA 54 0.720 10.015 14.113 408 HB3 ALA 54 3HB ALA 54 2.006 8.823 14.302 409 HA PRO 55 HA PRO 55 2.217 11.983 9.244 410 HB2 PRO 55 1HB PRO 55 1.443 14.418 10.161 411 HB3 PRO 55 2HB PRO 55 0.327 13.279 9.400 412 HG2 PRO 55 1HG PRO 55 0.784 13.828 12.307 413 HG3 PRO 55 2HG PRO 55 -0.745 13.596 11.439 414 HD2 PRO 55 1HD PRO 55 0.409 11.635 12.905 415 HD3 PRO 55 2HD PRO 55 -0.548 11.300 11.448 416 H GLU 56 H GLU 56 2.834 12.664 12.645 417 HA GLU 56 HA GLU 56 4.922 14.525 12.283 418 HB2 GLU 56 1HB GLU 56 5.511 14.029 14.616 419 HB3 GLU 56 2HB GLU 56 3.781 14.268 14.423 420 HG2 GLU 56 1HG GLU 56 3.320 11.989 14.678 421 HG3 GLU 56 2HG GLU 56 5.001 11.533 14.408 422 H LEU 57 H LEU 57 4.846 11.020 12.354 423 HA LEU 57 HA LEU 57 7.691 10.703 12.460 424 HB2 LEU 57 1HB LEU 57 5.472 8.794 11.752 425 HB3 LEU 57 2HB LEU 57 7.170 8.333 11.862 426 HG LEU 57 HG LEU 57 5.562 9.447 14.159 427 HD11 LEU 57 1HD1 LEU 57 5.203 6.984 13.007 428 HD12 LEU 57 2HD1 LEU 57 4.830 7.404 14.678 429 HD13 LEU 57 3HD1 LEU 57 6.374 6.651 14.283 430 HD21 LEU 57 1HD2 LEU 57 7.909 9.838 14.439 431 HD22 LEU 57 2HD2 LEU 57 8.292 8.183 13.968 432 HD23 LEU 57 3HD2 LEU 57 7.444 8.495 15.483 433 H GLN 58 H GLN 58 5.386 11.296 9.983 434 HA GLN 58 HA GLN 58 5.486 11.164 7.684 435 HB2 GLN 58 1HB GLN 58 7.779 12.303 6.955 436 HB3 GLN 58 2HB GLN 58 6.470 13.223 7.681 437 HG2 GLN 58 1HG GLN 58 7.554 13.002 9.873 438 HG3 GLN 58 2HG GLN 58 8.885 12.134 9.109 439 HE21 GLN 58 1HE2 GLN 58 7.064 15.159 8.743 440 HE22 GLN 58 2HE2 GLN 58 8.440 16.145 8.395 441 H SER 59 H SER 59 5.955 8.676 8.468 442 HA SER 59 HA SER 59 8.453 7.774 7.239 443 HB2 SER 59 1HB SER 59 7.577 6.941 9.524 444 HB3 SER 59 2HB SER 59 6.437 5.985 8.580 445 HG SER 59 HG SER 59 8.152 4.672 8.797 446 H ASP 60 H ASP 60 8.505 6.263 5.559 447 HA ASP 60 HA ASP 60 6.049 6.187 3.946 448 HB2 ASP 60 1HB ASP 60 8.836 5.579 2.965 449 HB3 ASP 60 2HB ASP 60 7.411 5.985 2.011 450 H ILE 61 H ILE 61 6.954 4.361 6.204 451 HA ILE 61 HA ILE 61 6.728 1.834 4.702 452 HB ILE 61 HB ILE 61 7.989 1.969 7.420 453 HG12 ILE 61 1HG1 ILE 61 9.179 3.556 5.891 454 HG13 ILE 61 2HG1 ILE 61 10.176 2.215 6.442 455 HG21 ILE 61 1HG2 ILE 61 7.872 0.021 5.159 456 HG22 ILE 61 2HG2 ILE 61 9.222 -0.029 6.292 457 HG23 ILE 61 3HG2 ILE 61 7.571 -0.234 6.879 458 HD11 ILE 61 1HD1 ILE 61 9.051 1.308 4.079 459 HD12 ILE 61 2HD1 ILE 61 9.454 2.995 3.765 460 HD13 ILE 61 3HD1 ILE 61 10.701 1.879 4.320 461 H ILE 62 H ILE 62 4.671 1.212 4.909 462 HA ILE 62 HA ILE 62 3.170 1.747 7.326 463 HB ILE 62 HB ILE 62 2.463 0.464 4.700 464 HG12 ILE 62 1HG1 ILE 62 1.232 2.839 6.101 465 HG13 ILE 62 2HG1 ILE 62 2.597 2.983 4.998 466 HG21 ILE 62 1HG2 ILE 62 0.074 0.668 5.956 467 HG22 ILE 62 2HG2 ILE 62 1.020 -0.816 5.856 468 HG23 ILE 62 3HG2 ILE 62 1.116 0.195 7.297 469 HD11 ILE 62 1HD1 ILE 62 1.058 1.735 3.334 470 HD12 ILE 62 2HD1 ILE 62 -0.234 2.250 4.419 471 HD13 ILE 62 3HD1 ILE 62 0.798 3.452 3.643 472 H ALA 63 H ALA 63 2.531 0.286 8.841 473 HA ALA 63 HA ALA 63 3.828 -2.344 8.730 474 HB1 ALA 63 1HB ALA 63 4.007 -0.572 10.687 475 HB2 ALA 63 2HB ALA 63 2.523 -1.368 11.212 476 HB3 ALA 63 3HB ALA 63 4.000 -2.308 11.002 477 H ILE 64 H ILE 64 2.653 -4.088 8.313 478 HA ILE 64 HA ILE 64 -0.254 -3.970 8.787 479 HB ILE 64 HB ILE 64 1.183 -5.619 6.705 480 HG12 ILE 64 1HG1 ILE 64 -0.528 -3.148 6.355 481 HG13 ILE 64 2HG1 ILE 64 1.228 -3.185 6.230 482 HG21 ILE 64 1HG2 ILE 64 -1.148 -5.953 5.842 483 HG22 ILE 64 2HG2 ILE 64 -0.806 -6.734 7.385 484 HG23 ILE 64 3HG2 ILE 64 -1.734 -5.235 7.342 485 HD11 ILE 64 1HD1 ILE 64 0.396 -3.219 4.030 486 HD12 ILE 64 2HD1 ILE 64 0.931 -4.865 4.374 487 HD13 ILE 64 3HD1 ILE 64 -0.787 -4.467 4.415 488 H THR 65 H THR 65 -1.113 -5.436 10.114 489 HA THR 65 HA THR 65 0.627 -7.586 11.101 490 HB THR 65 HB THR 65 -1.929 -6.565 12.351 491 HG1 THR 65 1HG THR 65 0.621 -6.011 13.398 492 HG21 THR 65 1HG2 THR 65 -1.061 -8.907 12.892 493 HG22 THR 65 2HG2 THR 65 -1.342 -7.823 14.254 494 HG23 THR 65 3HG2 THR 65 0.298 -8.097 13.669 495 H GLY 66 H GLY 66 0.047 -9.708 10.992 496 HA2 GLY 66 1HA GLY 66 -2.388 -10.888 10.749 497 HA3 GLY 66 2HA GLY 66 -2.018 -10.399 9.102 498 H LEU 67 H LEU 67 -2.344 -12.953 9.260 499 HA LEU 67 HA LEU 67 -0.084 -14.463 10.100 500 HB2 LEU 67 1HB LEU 67 -2.378 -15.113 8.263 501 HB3 LEU 67 2HB LEU 67 -1.143 -16.280 8.731 502 HG LEU 67 HG LEU 67 -3.092 -14.917 10.590 503 HD11 LEU 67 1HD1 LEU 67 -4.376 -16.490 9.509 504 HD12 LEU 67 2HD1 LEU 67 -3.738 -17.428 10.860 505 HD13 LEU 67 3HD1 LEU 67 -3.017 -17.587 9.258 506 HD21 LEU 67 1HD2 LEU 67 -1.247 -15.283 11.931 507 HD22 LEU 67 2HD2 LEU 67 -0.753 -16.724 11.041 508 HD23 LEU 67 3HD2 LEU 67 -2.143 -16.790 12.125 509 H ALA 68 H ALA 68 1.695 -15.107 9.008 510 HA ALA 68 HA ALA 68 2.896 -13.723 7.055 511 HB1 ALA 68 1HB ALA 68 4.062 -15.487 8.170 512 HB2 ALA 68 2HB ALA 68 3.013 -16.708 7.448 513 HB3 ALA 68 3HB ALA 68 4.133 -15.798 6.435 514 H ALA 69 H ALA 69 0.354 -16.080 6.575 515 HA ALA 69 HA ALA 69 0.624 -16.226 3.732 516 HB1 ALA 69 1HB ALA 69 -1.968 -16.982 4.300 517 HB2 ALA 69 2HB ALA 69 -0.565 -18.048 4.219 518 HB3 ALA 69 3HB ALA 69 -1.084 -17.391 5.772 519 H ASN 70 H ASN 70 -1.720 -14.618 5.885 520 HA ASN 70 HA ASN 70 -3.151 -13.322 3.836 521 HB2 ASN 70 1HB ASN 70 -2.861 -12.226 6.628 522 HB3 ASN 70 2HB ASN 70 -4.249 -12.123 5.548 523 HD21 ASN 70 1HD2 ASN 70 -5.113 -12.885 7.751 524 HD22 ASN 70 2HD2 ASN 70 -5.290 -14.594 7.926 525 H LEU 71 H LEU 71 -0.446 -12.255 5.863 526 HA LEU 71 HA LEU 71 -0.271 -9.610 5.108 527 HB2 LEU 71 1HB LEU 71 2.055 -11.475 5.546 528 HB3 LEU 71 2HB LEU 71 2.079 -9.718 5.684 529 HG LEU 71 HG LEU 71 0.368 -11.438 7.461 530 HD11 LEU 71 1HD1 LEU 71 3.229 -11.270 7.422 531 HD12 LEU 71 2HD1 LEU 71 2.177 -12.200 8.489 532 HD13 LEU 71 3HD1 LEU 71 2.599 -10.538 8.898 533 HD21 LEU 71 1HD2 LEU 71 1.084 -8.585 7.255 534 HD22 LEU 71 2HD2 LEU 71 1.058 -9.262 8.883 535 HD23 LEU 71 3HD2 LEU 71 -0.382 -9.349 7.868 536 H ASP 72 H ASP 72 0.906 -12.470 3.409 537 HA ASP 72 HA ASP 72 2.362 -11.151 1.400 538 HB2 ASP 72 1HB ASP 72 1.112 -13.856 1.665 539 HB3 ASP 72 2HB ASP 72 1.708 -13.344 0.088 540 H ARG 73 H ARG 73 -0.982 -12.380 1.383 541 HA ARG 73 HA ARG 73 -1.621 -11.453 -1.198 542 HB2 ARG 73 1HB ARG 73 -3.743 -11.612 0.890 543 HB3 ARG 73 2HB ARG 73 -3.761 -12.182 -0.774 544 HG2 ARG 73 1HG ARG 73 -1.935 -13.852 0.169 545 HG3 ARG 73 2HG ARG 73 -2.782 -13.517 1.681 546 HD2 ARG 73 1HD ARG 73 -4.831 -14.318 0.823 547 HD3 ARG 73 2HD ARG 73 -4.222 -14.319 -0.832 548 HE ARG 73 HE ARG 73 -3.933 -16.394 1.103 549 HH11 ARG 73 1HH1 ARG 73 -2.401 -14.873 -1.629 550 HH12 ARG 73 2HH1 ARG 73 -1.507 -16.287 -2.081 551 HH21 ARG 73 1HH2 ARG 73 -2.761 -18.262 0.518 552 HH22 ARG 73 2HH2 ARG 73 -1.713 -18.215 -0.859 553 H ALA 74 H ALA 74 -2.460 -10.079 1.987 554 HA ALA 74 HA ALA 74 -3.701 -7.764 1.103 555 HB1 ALA 74 1HB ALA 74 -3.907 -7.384 3.282 556 HB2 ALA 74 2HB ALA 74 -2.929 -8.825 3.564 557 HB3 ALA 74 3HB ALA 74 -2.160 -7.240 3.480 558 H LYS 75 H LYS 75 -0.285 -8.161 2.044 559 HA LYS 75 HA LYS 75 0.601 -5.600 1.498 560 HB2 LYS 75 1HB LYS 75 1.968 -7.320 2.606 561 HB3 LYS 75 2HB LYS 75 2.109 -8.190 1.084 562 HG2 LYS 75 1HG LYS 75 3.214 -6.147 0.134 563 HG3 LYS 75 2HG LYS 75 3.253 -5.498 1.775 564 HD2 LYS 75 1HD LYS 75 4.677 -7.235 2.526 565 HD3 LYS 75 2HD LYS 75 4.416 -8.181 1.059 566 HE2 LYS 75 1HE LYS 75 5.841 -6.894 -0.187 567 HE3 LYS 75 2HE LYS 75 5.566 -5.452 0.788 568 HZ1 LYS 75 1HZ LYS 75 6.851 -6.553 2.581 569 HZ2 LYS 75 2HZ LYS 75 7.765 -6.227 1.196 570 HZ3 LYS 75 3HZ LYS 75 7.230 -7.802 1.505 571 H ALA 76 H ALA 76 0.188 -8.326 -0.708 572 HA ALA 76 HA ALA 76 1.396 -7.200 -2.973 573 HB1 ALA 76 1HB ALA 76 -0.977 -8.974 -3.284 574 HB2 ALA 76 2HB ALA 76 0.564 -8.987 -4.143 575 HB3 ALA 76 3HB ALA 76 0.467 -9.611 -2.496 576 H GLY 77 H GLY 77 -1.922 -6.991 -1.756 577 HA2 GLY 77 1HA GLY 77 -3.043 -5.662 -3.971 578 HA3 GLY 77 2HA GLY 77 -3.670 -5.616 -2.329 579 H LEU 78 H LEU 78 -1.706 -4.344 -0.945 580 HA LEU 78 HA LEU 78 -2.181 -1.647 -1.527 581 HB2 LEU 78 1HB LEU 78 -1.409 -2.829 0.658 582 HB3 LEU 78 2HB LEU 78 0.212 -2.523 0.036 583 HG LEU 78 HG LEU 78 -0.334 -0.098 -0.024 584 HD11 LEU 78 1HD1 LEU 78 -2.302 0.603 1.379 585 HD12 LEU 78 2HD1 LEU 78 -2.874 -1.062 1.267 586 HD13 LEU 78 3HD1 LEU 78 -2.696 -0.091 -0.195 587 HD21 LEU 78 1HD2 LEU 78 -0.255 -1.723 2.462 588 HD22 LEU 78 2HD2 LEU 78 -0.571 0.006 2.606 589 HD23 LEU 78 3HD2 LEU 78 0.910 -0.558 1.831 590 H LEU 79 H LEU 79 0.737 -3.617 -2.030 591 HA LEU 79 HA LEU 79 2.432 -1.713 -3.062 592 HB2 LEU 79 1HB LEU 79 2.106 -4.605 -3.832 593 HB3 LEU 79 2HB LEU 79 3.438 -3.594 -4.387 594 HG LEU 79 HG LEU 79 2.879 -4.143 -1.479 595 HD11 LEU 79 1HD1 LEU 79 4.680 -5.784 -1.581 596 HD12 LEU 79 2HD1 LEU 79 4.797 -5.556 -3.325 597 HD13 LEU 79 3HD1 LEU 79 3.335 -6.249 -2.624 598 HD21 LEU 79 1HD2 LEU 79 4.808 -2.542 -2.978 599 HD22 LEU 79 2HD2 LEU 79 5.545 -3.626 -1.798 600 HD23 LEU 79 3HD2 LEU 79 4.332 -2.454 -1.283 601 H GLU 80 H GLU 80 0.087 -3.695 -4.862 602 HA GLU 80 HA GLU 80 0.625 -2.528 -7.381 603 HB2 GLU 80 1HB GLU 80 -1.806 -3.996 -6.351 604 HB3 GLU 80 2HB GLU 80 -1.585 -3.525 -8.029 605 HG2 GLU 80 1HG GLU 80 0.655 -4.839 -7.805 606 HG3 GLU 80 2HG GLU 80 -0.160 -5.603 -6.443 607 H ARG 81 H ARG 81 -1.600 -1.727 -4.784 608 HA ARG 81 HA ARG 81 -3.147 0.161 -6.221 609 HB2 ARG 81 1HB ARG 81 -3.509 -1.004 -3.872 610 HB3 ARG 81 2HB ARG 81 -2.716 0.450 -3.281 611 HG2 ARG 81 1HG ARG 81 -4.902 1.090 -3.171 612 HG3 ARG 81 2HG ARG 81 -4.489 1.654 -4.790 613 HD2 ARG 81 1HD ARG 81 -5.391 -0.470 -5.702 614 HD3 ARG 81 2HD ARG 81 -5.902 -0.912 -4.074 615 HE ARG 81 HE ARG 81 -6.907 1.634 -4.951 616 HH11 ARG 81 1HH1 ARG 81 -7.438 -1.807 -4.941 617 HH12 ARG 81 2HH1 ARG 81 -9.149 -1.675 -5.179 618 HH21 ARG 81 1HH2 ARG 81 -9.159 1.820 -5.264 619 HH22 ARG 81 2HH2 ARG 81 -10.127 0.389 -5.363 620 H VAL 82 H VAL 82 -0.123 0.355 -4.468 621 HA VAL 82 HA VAL 82 -0.008 3.212 -4.404 622 HB VAL 82 HB VAL 82 2.173 1.151 -4.054 623 HG11 VAL 82 1HG1 VAL 82 2.845 3.563 -2.775 624 HG12 VAL 82 2HG1 VAL 82 3.638 2.816 -4.163 625 HG13 VAL 82 3HG1 VAL 82 2.342 3.986 -4.410 626 HG21 VAL 82 1HG2 VAL 82 0.059 1.687 -2.408 627 HG22 VAL 82 2HG2 VAL 82 1.604 1.015 -1.889 628 HG23 VAL 82 3HG2 VAL 82 1.309 2.748 -1.762 629 H LYS 83 H LYS 83 1.165 0.707 -6.575 630 HA LYS 83 HA LYS 83 2.784 2.442 -8.159 631 HB2 LYS 83 1HB LYS 83 1.633 -0.296 -8.718 632 HB3 LYS 83 2HB LYS 83 2.753 0.536 -9.789 633 HG2 LYS 83 1HG LYS 83 4.463 0.511 -8.083 634 HG3 LYS 83 2HG LYS 83 3.339 -0.216 -6.931 635 HD2 LYS 83 1HD LYS 83 3.170 -2.203 -8.332 636 HD3 LYS 83 2HD LYS 83 4.249 -1.472 -9.522 637 HE2 LYS 83 1HE LYS 83 5.138 -1.766 -6.683 638 HE3 LYS 83 2HE LYS 83 5.185 -3.159 -7.764 639 HZ1 LYS 83 1HZ LYS 83 6.610 -0.577 -8.082 640 HZ2 LYS 83 2HZ LYS 83 6.498 -1.729 -9.316 641 HZ3 LYS 83 3HZ LYS 83 7.288 -2.113 -7.870 642 H GLU 84 H GLU 84 -0.556 1.374 -8.272 643 HA GLU 84 HA GLU 84 -1.024 2.583 -10.860 644 HB2 GLU 84 1HB GLU 84 -2.616 0.976 -8.929 645 HB3 GLU 84 2HB GLU 84 -3.499 2.030 -10.024 646 HG2 GLU 84 1HG GLU 84 -2.389 0.943 -11.930 647 HG3 GLU 84 2HG GLU 84 -1.572 -0.145 -10.810 648 H LEU 85 H LEU 85 -1.356 3.420 -7.508 649 HA LEU 85 HA LEU 85 -3.205 5.552 -7.827 650 HB2 LEU 85 1HB LEU 85 -1.322 4.669 -5.692 651 HB3 LEU 85 2HB LEU 85 -2.029 6.279 -5.591 652 HG LEU 85 HG LEU 85 -3.729 3.818 -5.872 653 HD11 LEU 85 1HD1 LEU 85 -3.583 3.300 -3.697 654 HD12 LEU 85 2HD1 LEU 85 -3.472 4.986 -3.197 655 HD13 LEU 85 3HD1 LEU 85 -2.035 4.142 -3.771 656 HD21 LEU 85 1HD2 LEU 85 -4.516 6.289 -4.423 657 HD22 LEU 85 2HD2 LEU 85 -5.495 5.174 -5.377 658 HD23 LEU 85 3HD2 LEU 85 -4.450 6.345 -6.185 659 H GLN 86 H GLN 86 0.319 5.590 -7.258 660 HA GLN 86 HA GLN 86 0.645 8.346 -7.673 661 HB2 GLN 86 1HB GLN 86 3.036 7.840 -7.926 662 HB3 GLN 86 2HB GLN 86 2.335 6.998 -6.549 663 HG2 GLN 86 1HG GLN 86 2.050 5.040 -8.232 664 HG3 GLN 86 2HG GLN 86 3.278 5.903 -9.157 665 HE21 GLN 86 1HE2 GLN 86 4.810 6.913 -7.080 666 HE22 GLN 86 2HE2 GLN 86 5.586 5.601 -6.265 667 H ALA 87 H ALA 87 0.992 5.602 -9.893 668 HA ALA 87 HA ALA 87 1.971 6.830 -12.133 669 HB1 ALA 87 1HB ALA 87 0.739 5.133 -13.446 670 HB2 ALA 87 2HB ALA 87 1.599 4.452 -12.063 671 HB3 ALA 87 3HB ALA 87 -0.148 4.691 -11.986 672 H GLU 88 H GLU 88 -1.189 7.168 -10.725 673 HA GLU 88 HA GLU 88 -2.316 8.453 -13.062 674 HB2 GLU 88 1HB GLU 88 -3.409 8.123 -10.263 675 HB3 GLU 88 2HB GLU 88 -4.304 8.783 -11.625 676 HG2 GLU 88 1HG GLU 88 -3.094 6.063 -11.819 677 HG3 GLU 88 2HG GLU 88 -4.607 6.297 -10.947 678 H GLN 89 H GLN 89 -2.220 9.573 -9.686 679 HA GLN 89 HA GLN 89 -2.529 12.249 -10.127 680 HB2 GLN 89 1HB GLN 89 -1.053 12.513 -8.010 681 HB3 GLN 89 2HB GLN 89 -2.566 11.625 -7.887 682 HG2 GLN 89 1HG GLN 89 -1.499 9.574 -7.730 683 HG3 GLN 89 2HG GLN 89 -0.003 10.189 -8.430 684 HE21 GLN 89 1HE2 GLN 89 1.586 10.474 -7.054 685 HE22 GLN 89 2HE2 GLN 89 1.431 10.793 -5.363 686 H GLU 90 H GLU 90 0.249 10.323 -10.812 687 HA GLU 90 HA GLU 90 1.986 12.640 -11.121 688 HB2 GLU 90 1HB GLU 90 2.600 9.741 -11.707 689 HB3 GLU 90 2HB GLU 90 3.757 11.056 -11.547 690 HG2 GLU 90 1HG GLU 90 1.966 10.445 -9.254 691 HG3 GLU 90 2HG GLU 90 3.322 9.370 -9.585 692 H ASP 91 H ASP 91 0.232 10.309 -13.057 693 HA ASP 91 HA ASP 91 1.327 10.521 -15.534 694 HB2 ASP 91 1HB ASP 91 -0.527 9.115 -15.408 695 HB3 ASP 91 2HB ASP 91 -1.529 10.341 -14.637 696 H ARG 92 H ARG 92 -0.655 12.928 -13.900 697 HA ARG 92 HA ARG 92 -0.980 14.661 -16.113 698 HB2 ARG 92 1HB ARG 92 -0.879 15.786 -13.359 699 HB3 ARG 92 2HB ARG 92 -2.031 16.085 -14.655 700 HG2 ARG 92 1HG ARG 92 -2.656 13.551 -14.161 701 HG3 ARG 92 2HG ARG 92 -2.014 13.981 -12.573 702 HD2 ARG 92 1HD ARG 92 -4.241 15.367 -14.062 703 HD3 ARG 92 2HD ARG 92 -4.399 14.364 -12.621 704 HE ARG 92 HE ARG 92 -3.588 17.116 -12.735 705 HH11 ARG 92 1HH1 ARG 92 -3.414 14.160 -10.905 706 HH12 ARG 92 2HH1 ARG 92 -3.109 14.957 -9.397 707 HH21 ARG 92 1HH2 ARG 92 -3.189 18.178 -10.756 708 HH22 ARG 92 2HH2 ARG 92 -2.982 17.244 -9.313 709 H ALA 93 H ALA 93 1.155 14.978 -13.268 710 HA ALA 93 HA ALA 93 2.613 17.170 -14.133 711 HB1 ALA 93 1HB ALA 93 3.149 16.764 -11.982 712 HB2 ALA 93 2HB ALA 93 3.028 15.014 -12.168 713 HB3 ALA 93 3HB ALA 93 4.481 15.860 -12.703 714 H LEU 94 H LEU 94 2.733 13.899 -15.216 715 HA LEU 94 HA LEU 94 5.363 14.036 -16.356 716 HB2 LEU 94 1HB LEU 94 4.134 11.944 -15.619 717 HB3 LEU 94 2HB LEU 94 3.179 12.104 -17.092 718 HG LEU 94 HG LEU 94 6.164 11.968 -17.254 719 HD11 LEU 94 1HD1 LEU 94 4.287 9.631 -16.941 720 HD12 LEU 94 2HD1 LEU 94 5.618 10.079 -15.874 721 HD13 LEU 94 3HD1 LEU 94 5.953 9.512 -17.510 722 HD21 LEU 94 1HD2 LEU 94 4.893 10.520 -19.279 723 HD22 LEU 94 2HD2 LEU 94 5.656 12.105 -19.411 724 HD23 LEU 94 3HD2 LEU 94 3.930 11.982 -19.066 725 H ARG 95 H ARG 95 2.062 14.070 -17.691 726 HA ARG 95 HA ARG 95 2.860 14.503 -20.368 727 HB2 ARG 95 1HB ARG 95 0.496 15.136 -20.742 728 HB3 ARG 95 2HB ARG 95 0.661 13.625 -19.857 729 HG2 ARG 95 1HG ARG 95 0.123 14.718 -17.786 730 HG3 ARG 95 2HG ARG 95 0.111 16.294 -18.580 731 HD2 ARG 95 1HD ARG 95 -1.722 15.346 -20.070 732 HD3 ARG 95 2HD ARG 95 -1.821 14.016 -18.916 733 HE ARG 95 HE ARG 95 -1.994 16.488 -17.563 734 HH11 ARG 95 1HH1 ARG 95 -3.829 14.387 -19.647 735 HH12 ARG 95 2HH1 ARG 95 -5.365 14.920 -19.048 736 HH21 ARG 95 1HH2 ARG 95 -4.010 17.197 -16.767 737 HH22 ARG 95 2HH2 ARG 95 -5.467 16.519 -17.411 738 H SER 96 H SER 96 2.402 16.623 -17.660 739 HA SER 96 HA SER 96 2.541 18.992 -19.372 740 HB2 SER 96 1HB SER 96 1.843 20.263 -17.484 741 HB3 SER 96 2HB SER 96 0.863 18.797 -17.467 742 HG SER 96 HG SER 96 3.157 19.344 -15.891 743 H PHE 97 H PHE 97 4.538 19.559 -19.932 744 HA PHE 97 HA PHE 97 6.537 19.876 -17.823 745 HB2 PHE 97 1HB PHE 97 8.222 18.987 -19.645 746 HB3 PHE 97 2HB PHE 97 7.375 17.867 -18.583 747 HD1 PHE 97 2HD PHE 97 6.429 19.658 -21.718 748 HD2 PHE 97 1HD PHE 97 6.848 15.936 -19.696 749 HE1 PHE 97 2HE PHE 97 5.518 18.491 -23.683 750 HE2 PHE 97 1HE PHE 97 5.938 14.763 -21.658 751 HZ PHE 97 HZ PHE 97 5.270 16.042 -23.655 752 H LYS 98 H LYS 98 8.512 21.067 -18.735 753 HA LYS 98 HA LYS 98 7.771 23.571 -19.634 754 HB2 LYS 98 1HB LYS 98 9.933 23.071 -18.567 755 HB3 LYS 98 2HB LYS 98 10.447 22.214 -20.015 756 HG2 LYS 98 1HG LYS 98 10.342 24.273 -21.298 757 HG3 LYS 98 2HG LYS 98 9.767 25.144 -19.874 758 HD2 LYS 98 1HD LYS 98 11.822 25.001 -18.802 759 HD3 LYS 98 2HD LYS 98 12.347 23.627 -19.778 760 HE2 LYS 98 1HE LYS 98 13.592 25.356 -20.668 761 HE3 LYS 98 2HE LYS 98 12.203 25.308 -21.752 762 HZ1 LYS 98 1HZ LYS 98 13.117 27.456 -20.225 763 HZ2 LYS 98 2HZ LYS 98 11.612 27.006 -19.597 764 HZ3 LYS 98 3HZ LYS 98 11.761 27.400 -21.235 765 H SER 99 H SER 99 7.597 24.573 -21.588 766 HA SER 99 HA SER 99 6.664 23.340 -23.796 767 HB2 SER 99 1HB SER 99 6.619 25.731 -23.690 768 HB3 SER 99 2HB SER 99 8.380 25.823 -23.653 769 HG SER 99 HG SER 99 6.725 25.710 -25.777 770 H GLY 100 H GLY 100 7.406 21.868 -25.167 771 HA2 GLY 100 1HA GLY 100 10.332 21.628 -25.500 772 HA3 GLY 100 2HA GLY 100 9.212 20.276 -25.595 773 HA PRO 101 HA PRO 101 8.805 22.958 -29.637 774 HB2 PRO 101 1HB PRO 101 10.999 24.453 -30.207 775 HB3 PRO 101 2HB PRO 101 9.625 25.076 -29.287 776 HG2 PRO 101 1HG PRO 101 12.252 24.037 -28.297 777 HG3 PRO 101 2HG PRO 101 11.340 25.461 -27.765 778 HD2 PRO 101 1HD PRO 101 11.315 23.122 -26.401 779 HD3 PRO 101 2HD PRO 101 9.915 24.214 -26.450 780 H SER 102 H SER 102 11.103 20.910 -28.444 781 HA SER 102 HA SER 102 12.814 20.511 -30.656 782 HB2 SER 102 1HB SER 102 13.600 18.597 -29.526 783 HB3 SER 102 2HB SER 102 13.095 19.684 -28.233 784 HG SER 102 HG SER 102 11.844 18.126 -27.616 785 H SER 103 H SER 103 12.880 18.279 -31.773 786 HA SER 103 HA SER 103 10.548 18.061 -33.372 787 HB2 SER 103 1HB SER 103 13.130 16.543 -33.188 788 HB3 SER 103 2HB SER 103 11.811 15.912 -34.175 789 HG SER 103 HG SER 103 11.823 17.897 -35.313 790 H GLY 104 H GLY 104 9.004 16.441 -33.496 791 HA2 GLY 104 1HA GLY 104 8.255 14.213 -32.799 792 HA3 GLY 104 2HA GLY 104 8.949 14.557 -31.221 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.272 -10.847 -7.818 2 HA2 GLY 1 1HA GLY 1 4.955 -11.280 -7.332 3 HA3 GLY 1 2HA GLY 1 3.842 -10.586 -6.162 4 H SER 2 H SER 2 5.594 -13.400 -7.134 5 HA SER 2 HA SER 2 4.458 -15.460 -5.759 6 HB2 SER 2 1HB SER 2 6.753 -16.372 -5.463 7 HB3 SER 2 2HB SER 2 6.467 -15.766 -7.095 8 HG SER 2 HG SER 2 7.855 -14.186 -6.770 9 H SER 3 H SER 3 4.626 -16.327 -3.669 10 HA SER 3 HA SER 3 4.590 -14.384 -1.579 11 HB2 SER 3 1HB SER 3 4.447 -17.405 -1.518 12 HB3 SER 3 2HB SER 3 4.249 -16.382 -0.096 13 HG SER 3 HG SER 3 2.685 -15.751 -2.300 14 H GLY 4 H GLY 4 6.107 -13.873 -0.094 15 HA2 GLY 4 1HA GLY 4 8.820 -14.676 -0.609 16 HA3 GLY 4 2HA GLY 4 8.279 -13.564 0.641 17 H SER 5 H SER 5 9.782 -16.419 0.168 18 HA SER 5 HA SER 5 9.716 -17.157 2.889 19 HB2 SER 5 1HB SER 5 8.537 -19.303 2.730 20 HB3 SER 5 2HB SER 5 7.461 -17.970 2.314 21 HG SER 5 HG SER 5 7.431 -18.606 0.268 22 H SER 6 H SER 6 11.680 -17.938 3.212 23 HA SER 6 HA SER 6 13.352 -18.796 1.079 24 HB2 SER 6 1HB SER 6 14.986 -19.313 2.887 25 HB3 SER 6 2HB SER 6 14.315 -17.686 3.012 26 HG SER 6 HG SER 6 14.339 -18.778 5.029 27 H GLY 7 H GLY 7 11.894 -20.523 3.835 28 HA2 GLY 7 1HA GLY 7 11.244 -22.832 2.411 29 HA3 GLY 7 2HA GLY 7 12.846 -23.080 3.088 30 H LYS 8 H LYS 8 9.985 -21.429 4.402 31 HA LYS 8 HA LYS 8 10.319 -22.330 7.012 32 HB2 LYS 8 1HB LYS 8 7.867 -21.412 5.517 33 HB3 LYS 8 2HB LYS 8 7.830 -21.812 7.229 34 HG2 LYS 8 1HG LYS 8 9.742 -20.113 7.461 35 HG3 LYS 8 2HG LYS 8 9.255 -19.566 5.854 36 HD2 LYS 8 1HD LYS 8 7.013 -19.110 6.657 37 HD3 LYS 8 2HD LYS 8 7.427 -19.749 8.249 38 HE2 LYS 8 1HE LYS 8 9.032 -17.971 8.585 39 HE3 LYS 8 2HE LYS 8 8.754 -17.371 6.950 40 HZ1 LYS 8 1HZ LYS 8 6.983 -17.226 9.299 41 HZ2 LYS 8 2HZ LYS 8 6.328 -17.159 7.741 42 HZ3 LYS 8 3HZ LYS 8 7.450 -15.993 8.237 43 H GLU 9 H GLU 9 10.498 -24.420 7.534 44 HA GLU 9 HA GLU 9 8.239 -26.171 6.983 45 HB2 GLU 9 1HB GLU 9 10.997 -26.580 5.923 46 HB3 GLU 9 2HB GLU 9 10.108 -27.990 6.479 47 HG2 GLU 9 1HG GLU 9 8.517 -27.812 4.828 48 HG3 GLU 9 2HG GLU 9 8.805 -26.090 4.589 49 H ALA 10 H ALA 10 8.019 -27.877 8.452 50 HA ALA 10 HA ALA 10 8.304 -29.050 10.393 51 HB1 ALA 10 1HB ALA 10 11.015 -27.796 10.713 52 HB2 ALA 10 2HB ALA 10 10.438 -29.341 11.337 53 HB3 ALA 10 3HB ALA 10 10.720 -29.138 9.608 54 H LEU 11 H LEU 11 7.352 -26.223 10.180 55 HA LEU 11 HA LEU 11 7.289 -25.695 13.041 56 HB2 LEU 11 1HB LEU 11 9.084 -24.294 12.552 57 HB3 LEU 11 2HB LEU 11 8.414 -23.826 10.991 58 HG LEU 11 HG LEU 11 6.655 -22.541 12.224 59 HD11 LEU 11 1HD1 LEU 11 7.662 -21.983 14.644 60 HD12 LEU 11 2HD1 LEU 11 8.138 -23.676 14.509 61 HD13 LEU 11 3HD1 LEU 11 6.439 -23.222 14.364 62 HD21 LEU 11 1HD2 LEU 11 9.212 -21.838 11.540 63 HD22 LEU 11 2HD2 LEU 11 9.113 -21.325 13.224 64 HD23 LEU 11 3HD2 LEU 11 7.943 -20.723 12.049 65 H GLU 12 H GLU 12 5.419 -24.721 13.725 66 HA GLU 12 HA GLU 12 3.553 -23.691 11.729 67 HB2 GLU 12 1HB GLU 12 1.747 -25.097 12.383 68 HB3 GLU 12 2HB GLU 12 3.116 -26.151 12.055 69 HG2 GLU 12 1HG GLU 12 3.564 -26.315 14.452 70 HG3 GLU 12 2HG GLU 12 2.183 -25.269 14.777 71 H ALA 13 H ALA 13 2.506 -21.938 12.432 72 HA ALA 13 HA ALA 13 2.330 -21.475 15.333 73 HB1 ALA 13 1HB ALA 13 3.929 -20.026 13.512 74 HB2 ALA 13 2HB ALA 13 2.590 -18.977 13.980 75 HB3 ALA 13 3HB ALA 13 3.632 -19.683 15.216 76 H LEU 14 H LEU 14 0.748 -19.679 15.844 77 HA LEU 14 HA LEU 14 -1.525 -19.765 13.970 78 HB2 LEU 14 1HB LEU 14 -3.045 -19.946 15.762 79 HB3 LEU 14 2HB LEU 14 -1.786 -21.145 16.056 80 HG LEU 14 HG LEU 14 -0.782 -19.225 17.561 81 HD11 LEU 14 1HD1 LEU 14 -3.513 -18.573 18.315 82 HD12 LEU 14 2HD1 LEU 14 -3.082 -17.972 16.715 83 HD13 LEU 14 3HD1 LEU 14 -2.109 -17.524 18.115 84 HD21 LEU 14 1HD2 LEU 14 -1.182 -20.950 18.914 85 HD22 LEU 14 2HD2 LEU 14 -2.620 -21.430 18.012 86 HD23 LEU 14 3HD2 LEU 14 -2.734 -20.186 19.259 87 H VAL 15 H VAL 15 0.299 -17.905 16.316 88 HA VAL 15 HA VAL 15 -1.318 -15.565 16.195 89 HB VAL 15 HB VAL 15 1.571 -15.876 17.027 90 HG11 VAL 15 1HG1 VAL 15 -0.200 -13.631 17.890 91 HG12 VAL 15 2HG1 VAL 15 1.561 -13.713 17.830 92 HG13 VAL 15 3HG1 VAL 15 0.634 -13.544 16.339 93 HG21 VAL 15 1HG2 VAL 15 0.653 -15.805 19.315 94 HG22 VAL 15 2HG2 VAL 15 -0.977 -15.809 18.642 95 HG23 VAL 15 3HG2 VAL 15 0.080 -17.201 18.402 96 HA PRO 16 HA PRO 16 -0.010 -13.922 12.315 97 HB2 PRO 16 1HB PRO 16 -0.762 -11.344 12.712 98 HB3 PRO 16 2HB PRO 16 -1.917 -12.644 12.395 99 HG2 PRO 16 1HG PRO 16 -1.134 -11.401 15.003 100 HG3 PRO 16 2HG PRO 16 -2.746 -11.850 14.418 101 HD2 PRO 16 1HD PRO 16 -1.346 -13.386 16.153 102 HD3 PRO 16 2HD PRO 16 -2.458 -14.073 14.952 103 H VAL 17 H VAL 17 1.193 -11.858 11.531 104 HA VAL 17 HA VAL 17 3.241 -10.978 13.420 105 HB VAL 17 HB VAL 17 4.982 -11.373 11.580 106 HG11 VAL 17 1HG1 VAL 17 5.453 -13.618 12.378 107 HG12 VAL 17 2HG1 VAL 17 4.904 -12.598 13.709 108 HG13 VAL 17 3HG1 VAL 17 3.803 -13.769 12.983 109 HG21 VAL 17 1HG2 VAL 17 4.194 -12.180 9.658 110 HG22 VAL 17 2HG2 VAL 17 3.984 -13.720 10.492 111 HG23 VAL 17 3HG2 VAL 17 2.639 -12.585 10.383 112 H THR 18 H THR 18 4.361 -9.078 12.765 113 HA THR 18 HA THR 18 2.791 -7.431 10.934 114 HB THR 18 HB THR 18 5.033 -6.553 12.762 115 HG1 THR 18 1HG THR 18 3.583 -6.388 14.327 116 HG21 THR 18 1HG2 THR 18 2.984 -5.125 11.100 117 HG22 THR 18 2HG2 THR 18 4.723 -4.850 11.200 118 HG23 THR 18 3HG2 THR 18 3.675 -4.362 12.532 119 H ILE 19 H ILE 19 3.695 -6.275 9.221 120 HA ILE 19 HA ILE 19 6.428 -7.041 8.440 121 HB ILE 19 HB ILE 19 5.715 -7.186 6.095 122 HG12 ILE 19 1HG1 ILE 19 2.864 -7.161 7.070 123 HG13 ILE 19 2HG1 ILE 19 3.663 -5.694 6.520 124 HG21 ILE 19 1HG2 ILE 19 4.422 -8.993 8.108 125 HG22 ILE 19 2HG2 ILE 19 4.277 -9.289 6.377 126 HG23 ILE 19 3HG2 ILE 19 5.868 -9.271 7.137 127 HD11 ILE 19 1HD1 ILE 19 2.441 -7.788 4.993 128 HD12 ILE 19 2HD1 ILE 19 3.033 -6.212 4.468 129 HD13 ILE 19 3HD1 ILE 19 4.131 -7.591 4.528 130 H GLU 20 H GLU 20 6.906 -5.630 6.283 131 HA GLU 20 HA GLU 20 6.123 -2.856 6.870 132 HB2 GLU 20 1HB GLU 20 8.870 -4.005 6.552 133 HB3 GLU 20 2HB GLU 20 8.563 -2.345 6.063 134 HG2 GLU 20 1HG GLU 20 7.696 -1.897 8.349 135 HG3 GLU 20 2HG GLU 20 8.199 -3.524 8.805 136 H VAL 21 H VAL 21 5.269 -1.881 5.164 137 HA VAL 21 HA VAL 21 5.995 -2.856 2.477 138 HB VAL 21 HB VAL 21 3.392 -1.482 3.043 139 HG11 VAL 21 1HG1 VAL 21 4.382 -3.397 0.940 140 HG12 VAL 21 2HG1 VAL 21 2.694 -2.906 1.099 141 HG13 VAL 21 3HG1 VAL 21 3.933 -1.704 0.734 142 HG21 VAL 21 1HG2 VAL 21 2.619 -4.048 3.009 143 HG22 VAL 21 2HG2 VAL 21 4.180 -4.224 3.812 144 HG23 VAL 21 3HG2 VAL 21 2.951 -3.161 4.497 145 H GLU 22 H GLU 22 6.770 -1.417 1.060 146 HA GLU 22 HA GLU 22 7.372 1.236 1.919 147 HB2 GLU 22 1HB GLU 22 7.755 -0.261 -0.661 148 HB3 GLU 22 2HB GLU 22 8.131 1.452 -0.540 149 HG2 GLU 22 1HG GLU 22 9.877 1.096 0.942 150 HG3 GLU 22 2HG GLU 22 9.287 -0.497 1.409 151 H VAL 23 H VAL 23 5.872 2.767 2.039 152 HA VAL 23 HA VAL 23 4.221 3.311 -0.302 153 HB VAL 23 HB VAL 23 3.030 2.947 2.451 154 HG11 VAL 23 1HG1 VAL 23 1.373 4.275 1.808 155 HG12 VAL 23 2HG1 VAL 23 2.196 4.572 0.275 156 HG13 VAL 23 3HG1 VAL 23 1.066 3.225 0.423 157 HG21 VAL 23 1HG2 VAL 23 2.983 1.305 -0.048 158 HG22 VAL 23 2HG2 VAL 23 3.236 0.794 1.621 159 HG23 VAL 23 3HG2 VAL 23 1.623 1.253 1.075 160 HA PRO 24 HA PRO 24 5.594 7.366 0.905 161 HB2 PRO 24 1HB PRO 24 4.323 8.706 -1.084 162 HB3 PRO 24 2HB PRO 24 5.811 7.788 -1.343 163 HG2 PRO 24 1HG PRO 24 2.977 6.998 -1.898 164 HG3 PRO 24 2HG PRO 24 4.421 6.755 -2.896 165 HD2 PRO 24 1HD PRO 24 3.360 4.789 -1.367 166 HD3 PRO 24 2HD PRO 24 5.101 4.914 -1.686 167 H PHE 25 H PHE 25 4.772 8.736 2.358 168 HA PHE 25 HA PHE 25 2.238 8.517 3.448 169 HB2 PHE 25 1HB PHE 25 4.197 9.647 4.514 170 HB3 PHE 25 2HB PHE 25 3.939 11.018 3.440 171 HD1 PHE 25 1HD PHE 25 1.663 12.183 3.551 172 HD2 PHE 25 2HD PHE 25 3.087 9.515 6.547 173 HE1 PHE 25 1HE PHE 25 0.066 13.141 5.160 174 HE2 PHE 25 2HE PHE 25 1.492 10.469 8.159 175 HZ PHE 25 HZ PHE 25 -0.022 12.283 7.466 176 H ASP 26 H ASP 26 3.338 10.416 0.733 177 HA ASP 26 HA ASP 26 1.282 12.259 0.485 178 HB2 ASP 26 1HB ASP 26 3.423 12.020 -0.914 179 HB3 ASP 26 2HB ASP 26 2.511 10.872 -1.889 180 H LEU 27 H LEU 27 1.187 8.860 0.127 181 HA LEU 27 HA LEU 27 -1.320 8.941 -1.380 182 HB2 LEU 27 1HB LEU 27 0.573 6.736 -0.630 183 HB3 LEU 27 2HB LEU 27 -1.039 6.402 -1.258 184 HG LEU 27 HG LEU 27 1.209 7.813 -2.688 185 HD11 LEU 27 1HD1 LEU 27 1.567 5.468 -2.688 186 HD12 LEU 27 2HD1 LEU 27 0.900 5.885 -4.266 187 HD13 LEU 27 3HD1 LEU 27 -0.131 5.142 -3.044 188 HD21 LEU 27 1HD2 LEU 27 -1.677 7.415 -3.434 189 HD22 LEU 27 2HD2 LEU 27 -0.417 7.717 -4.630 190 HD23 LEU 27 3HD2 LEU 27 -0.755 8.918 -3.383 191 H HIS 28 H HIS 28 -0.015 8.087 1.763 192 HA HIS 28 HA HIS 28 -1.863 6.629 3.018 193 HB2 HIS 28 1HB HIS 28 -0.598 9.181 4.024 194 HB3 HIS 28 2HB HIS 28 -1.533 8.101 5.055 195 HD2 HIS 28 2HD HIS 28 0.444 5.861 2.828 196 HE1 HIS 28 1HE HIS 28 2.956 6.595 6.167 197 HE2 HIS 28 2HE HIS 28 2.617 5.228 4.078 198 H ARG 29 H ARG 29 -2.222 10.171 2.743 199 HA ARG 29 HA ARG 29 -4.681 10.535 3.822 200 HB2 ARG 29 1HB ARG 29 -4.960 12.465 2.381 201 HB3 ARG 29 2HB ARG 29 -3.280 12.340 2.883 202 HG2 ARG 29 1HG ARG 29 -2.991 11.068 0.628 203 HG3 ARG 29 2HG ARG 29 -4.494 11.887 0.199 204 HD2 ARG 29 1HD ARG 29 -2.170 13.399 1.340 205 HD3 ARG 29 2HD ARG 29 -2.257 13.027 -0.381 206 HE ARG 29 HE ARG 29 -4.635 14.269 0.637 207 HH11 ARG 29 1HH1 ARG 29 -1.438 14.832 -0.620 208 HH12 ARG 29 2HH1 ARG 29 -1.797 16.433 -1.178 209 HH21 ARG 29 1HH2 ARG 29 -5.120 16.376 -0.093 210 HH22 ARG 29 2HH2 ARG 29 -3.891 17.309 -0.877 211 H TYR 30 H TYR 30 -4.011 9.403 0.532 212 HA TYR 30 HA TYR 30 -6.787 9.184 -0.158 213 HB2 TYR 30 1HB TYR 30 -4.370 7.997 -1.536 214 HB3 TYR 30 2HB TYR 30 -5.985 8.148 -2.220 215 HD1 TYR 30 2HD TYR 30 -6.823 10.816 -1.668 216 HD2 TYR 30 1HD TYR 30 -2.917 9.423 -2.617 217 HE1 TYR 30 2HE TYR 30 -6.248 13.042 -2.541 218 HE2 TYR 30 1HE TYR 30 -2.330 11.644 -3.492 219 HH TYR 30 HH TYR 30 -4.334 14.397 -3.009 220 H VAL 31 H VAL 31 -4.244 6.955 0.864 221 HA VAL 31 HA VAL 31 -5.621 4.549 0.495 222 HB VAL 31 HB VAL 31 -3.569 5.202 2.615 223 HG11 VAL 31 1HG1 VAL 31 -3.504 3.031 3.202 224 HG12 VAL 31 2HG1 VAL 31 -5.139 2.993 2.539 225 HG13 VAL 31 3HG1 VAL 31 -3.773 2.471 1.552 226 HG21 VAL 31 1HG2 VAL 31 -1.944 4.277 1.051 227 HG22 VAL 31 2HG2 VAL 31 -3.219 4.020 -0.141 228 HG23 VAL 31 3HG2 VAL 31 -2.779 5.659 0.341 229 H ILE 32 H ILE 32 -5.131 6.270 3.585 230 HA ILE 32 HA ILE 32 -6.829 4.796 5.163 231 HB ILE 32 HB ILE 32 -6.391 7.781 5.314 232 HG12 ILE 32 1HG1 ILE 32 -4.989 5.636 6.902 233 HG13 ILE 32 2HG1 ILE 32 -4.361 6.218 5.364 234 HG21 ILE 32 1HG2 ILE 32 -8.025 7.645 6.846 235 HG22 ILE 32 2HG2 ILE 32 -7.888 5.893 6.983 236 HG23 ILE 32 3HG2 ILE 32 -6.773 6.936 7.866 237 HD11 ILE 32 1HD1 ILE 32 -3.564 7.230 7.652 238 HD12 ILE 32 2HD1 ILE 32 -3.766 8.242 6.220 239 HD13 ILE 32 3HD1 ILE 32 -5.017 8.212 7.463 240 H GLY 33 H GLY 33 -7.650 7.567 3.101 241 HA2 GLY 33 1HA GLY 33 -9.675 7.962 2.021 242 HA3 GLY 33 2HA GLY 33 -10.373 6.603 2.888 243 H GLN 34 H GLN 34 -12.097 8.452 2.822 244 HA GLN 34 HA GLN 34 -11.958 10.693 4.431 245 HB2 GLN 34 1HB GLN 34 -13.845 10.371 2.992 246 HB3 GLN 34 2HB GLN 34 -14.293 8.884 3.817 247 HG2 GLN 34 1HG GLN 34 -15.784 10.652 4.464 248 HG3 GLN 34 2HG GLN 34 -14.792 10.178 5.843 249 HE21 GLN 34 1HE2 GLN 34 -15.132 12.577 3.288 250 HE22 GLN 34 2HE2 GLN 34 -14.370 13.867 4.148 251 H LYS 35 H LYS 35 -13.374 7.558 5.381 252 HA LYS 35 HA LYS 35 -12.462 8.076 8.128 253 HB2 LYS 35 1HB LYS 35 -15.024 8.419 7.557 254 HB3 LYS 35 2HB LYS 35 -15.059 6.666 7.692 255 HG2 LYS 35 1HG LYS 35 -13.902 8.394 9.852 256 HG3 LYS 35 2HG LYS 35 -15.626 8.020 9.769 257 HD2 LYS 35 1HD LYS 35 -15.134 5.640 9.880 258 HD3 LYS 35 2HD LYS 35 -13.401 5.982 9.892 259 HE2 LYS 35 1HE LYS 35 -15.354 6.922 11.990 260 HE3 LYS 35 2HE LYS 35 -14.335 5.490 12.138 261 HZ1 LYS 35 1HZ LYS 35 -12.859 6.870 13.042 262 HZ2 LYS 35 2HZ LYS 35 -13.663 8.256 12.497 263 HZ3 LYS 35 3HZ LYS 35 -12.580 7.450 11.477 264 H GLY 36 H GLY 36 -10.704 6.653 7.496 265 HA2 GLY 36 1HA GLY 36 -9.729 4.578 7.086 266 HA3 GLY 36 2HA GLY 36 -10.664 4.188 8.523 267 H SER 37 H SER 37 -11.759 4.875 5.217 268 HA SER 37 HA SER 37 -13.273 2.375 5.272 269 HB2 SER 37 1HB SER 37 -13.402 4.784 3.449 270 HB3 SER 37 2HB SER 37 -14.365 3.327 3.207 271 HG SER 37 HG SER 37 -14.438 4.473 5.739 272 H GLY 38 H GLY 38 -11.299 4.162 2.887 273 HA2 GLY 38 1HA GLY 38 -10.973 2.279 0.957 274 HA3 GLY 38 2HA GLY 38 -9.688 3.382 1.428 275 H ILE 39 H ILE 39 -9.212 2.402 4.025 276 HA ILE 39 HA ILE 39 -7.603 0.106 3.367 277 HB ILE 39 HB ILE 39 -7.980 1.539 6.000 278 HG12 ILE 39 1HG1 ILE 39 -5.703 1.661 4.013 279 HG13 ILE 39 2HG1 ILE 39 -6.952 2.889 4.181 280 HG21 ILE 39 1HG2 ILE 39 -5.524 0.200 5.956 281 HG22 ILE 39 2HG2 ILE 39 -6.940 -0.186 6.934 282 HG23 ILE 39 3HG2 ILE 39 -6.713 -0.961 5.366 283 HD11 ILE 39 1HD1 ILE 39 -4.969 3.604 5.318 284 HD12 ILE 39 2HD1 ILE 39 -6.217 3.246 6.513 285 HD13 ILE 39 3HD1 ILE 39 -4.905 2.101 6.238 286 H ARG 40 H ARG 40 -10.422 0.774 5.394 287 HA ARG 40 HA ARG 40 -10.689 -1.570 6.783 288 HB2 ARG 40 1HB ARG 40 -12.220 0.266 7.121 289 HB3 ARG 40 2HB ARG 40 -12.846 0.099 5.486 290 HG2 ARG 40 1HG ARG 40 -13.050 -2.185 7.399 291 HG3 ARG 40 2HG ARG 40 -14.194 -0.843 7.489 292 HD2 ARG 40 1HD ARG 40 -14.453 -1.242 4.934 293 HD3 ARG 40 2HD ARG 40 -13.762 -2.824 5.290 294 HE ARG 40 HE ARG 40 -15.802 -2.502 7.096 295 HH11 ARG 40 1HH1 ARG 40 -15.505 -2.494 3.627 296 HH12 ARG 40 2HH1 ARG 40 -17.108 -3.097 3.359 297 HH21 ARG 40 1HH2 ARG 40 -17.913 -3.296 6.755 298 HH22 ARG 40 2HH2 ARG 40 -18.477 -3.551 5.138 299 H LYS 41 H LYS 41 -11.743 -0.934 3.455 300 HA LYS 41 HA LYS 41 -13.050 -3.271 2.862 301 HB2 LYS 41 1HB LYS 41 -12.892 -1.423 1.285 302 HB3 LYS 41 2HB LYS 41 -11.166 -1.704 1.091 303 HG2 LYS 41 1HG LYS 41 -12.278 -2.608 -0.807 304 HG3 LYS 41 2HG LYS 41 -11.706 -3.957 0.176 305 HD2 LYS 41 1HD LYS 41 -13.838 -4.522 0.874 306 HD3 LYS 41 2HD LYS 41 -14.479 -2.907 0.562 307 HE2 LYS 41 1HE LYS 41 -15.358 -4.372 -1.104 308 HE3 LYS 41 2HE LYS 41 -14.157 -3.340 -1.878 309 HZ1 LYS 41 1HZ LYS 41 -13.304 -5.943 -0.831 310 HZ2 LYS 41 2HZ LYS 41 -12.713 -5.068 -2.152 311 HZ3 LYS 41 3HZ LYS 41 -14.178 -5.906 -2.280 312 H MET 42 H MET 42 -9.552 -2.683 2.505 313 HA MET 42 HA MET 42 -8.886 -5.287 1.694 314 HB2 MET 42 1HB MET 42 -7.157 -3.310 3.191 315 HB3 MET 42 2HB MET 42 -6.587 -4.692 2.265 316 HG2 MET 42 1HG MET 42 -7.063 -3.702 0.238 317 HG3 MET 42 2HG MET 42 -8.245 -2.598 0.939 318 HE1 MET 42 1HE MET 42 -4.010 -2.556 2.220 319 HE2 MET 42 2HE MET 42 -4.806 -3.836 1.305 320 HE3 MET 42 3HE MET 42 -3.899 -2.581 0.460 321 H MET 43 H MET 43 -8.295 -3.804 4.889 322 HA MET 43 HA MET 43 -7.469 -5.948 6.314 323 HB2 MET 43 1HB MET 43 -9.436 -3.842 7.225 324 HB3 MET 43 2HB MET 43 -8.576 -4.932 8.304 325 HG2 MET 43 1HG MET 43 -6.440 -4.001 7.434 326 HG3 MET 43 2HG MET 43 -7.383 -2.821 6.528 327 HE1 MET 43 1HE MET 43 -9.720 -1.790 8.754 328 HE2 MET 43 2HE MET 43 -8.699 -0.369 8.975 329 HE3 MET 43 3HE MET 43 -8.815 -1.135 7.389 330 H ASP 44 H ASP 44 -10.863 -5.136 5.653 331 HA ASP 44 HA ASP 44 -11.943 -7.367 7.029 332 HB2 ASP 44 1HB ASP 44 -12.977 -5.315 5.138 333 HB3 ASP 44 2HB ASP 44 -13.921 -6.790 5.327 334 H GLU 45 H GLU 45 -10.764 -6.873 3.779 335 HA GLU 45 HA GLU 45 -11.888 -9.278 2.707 336 HB2 GLU 45 1HB GLU 45 -11.356 -7.393 1.251 337 HB3 GLU 45 2HB GLU 45 -9.656 -7.514 1.685 338 HG2 GLU 45 1HG GLU 45 -9.688 -8.576 -0.343 339 HG3 GLU 45 2HG GLU 45 -9.868 -9.935 0.766 340 H PHE 46 H PHE 46 -8.492 -8.342 3.280 341 HA PHE 46 HA PHE 46 -7.648 -11.095 3.229 342 HB2 PHE 46 1HB PHE 46 -6.047 -8.652 4.012 343 HB3 PHE 46 2HB PHE 46 -5.412 -10.227 3.545 344 HD1 PHE 46 1HD PHE 46 -5.952 -11.045 1.171 345 HD2 PHE 46 2HD PHE 46 -6.344 -6.995 2.423 346 HE1 PHE 46 1HE PHE 46 -5.860 -10.312 -1.177 347 HE2 PHE 46 2HE PHE 46 -6.254 -6.257 0.078 348 HZ PHE 46 HZ PHE 46 -6.012 -7.916 -1.726 349 H GLU 47 H GLU 47 -9.287 -9.487 5.475 350 HA GLU 47 HA GLU 47 -9.509 -9.557 7.747 351 HB2 GLU 47 1HB GLU 47 -8.656 -12.303 6.941 352 HB3 GLU 47 2HB GLU 47 -8.785 -11.932 8.654 353 HG2 GLU 47 1HG GLU 47 -11.123 -11.193 8.257 354 HG3 GLU 47 2HG GLU 47 -10.966 -11.751 6.592 355 H VAL 48 H VAL 48 -7.335 -8.108 7.190 356 HA VAL 48 HA VAL 48 -5.396 -8.971 9.233 357 HB VAL 48 HB VAL 48 -3.647 -7.732 7.900 358 HG11 VAL 48 1HG1 VAL 48 -3.010 -9.768 7.287 359 HG12 VAL 48 2HG1 VAL 48 -4.635 -10.355 7.646 360 HG13 VAL 48 3HG1 VAL 48 -4.234 -9.806 6.018 361 HG21 VAL 48 1HG2 VAL 48 -5.917 -7.664 5.953 362 HG22 VAL 48 2HG2 VAL 48 -4.784 -6.386 6.395 363 HG23 VAL 48 3HG2 VAL 48 -4.251 -7.723 5.376 364 H ASN 49 H ASN 49 -3.898 -6.909 9.690 365 HA ASN 49 HA ASN 49 -5.692 -4.606 10.091 366 HB2 ASN 49 1HB ASN 49 -3.689 -5.763 12.043 367 HB3 ASN 49 2HB ASN 49 -4.520 -4.226 12.267 368 HD21 ASN 49 1HD2 ASN 49 -5.187 -7.644 11.618 369 HD22 ASN 49 2HD2 ASN 49 -6.613 -7.727 12.590 370 H ILE 50 H ILE 50 -4.959 -2.802 9.200 371 HA ILE 50 HA ILE 50 -2.098 -2.612 8.551 372 HB ILE 50 HB ILE 50 -4.448 -1.128 7.369 373 HG12 ILE 50 1HG1 ILE 50 -2.600 -3.139 6.074 374 HG13 ILE 50 2HG1 ILE 50 -4.170 -3.555 6.751 375 HG21 ILE 50 1HG2 ILE 50 -1.730 -0.383 7.483 376 HG22 ILE 50 2HG2 ILE 50 -2.054 -0.908 5.831 377 HG23 ILE 50 3HG2 ILE 50 -3.028 0.371 6.556 378 HD11 ILE 50 1HD1 ILE 50 -3.834 -3.008 4.189 379 HD12 ILE 50 2HD1 ILE 50 -5.312 -2.581 5.052 380 HD13 ILE 50 3HD1 ILE 50 -4.073 -1.360 4.768 381 H HIS 51 H HIS 51 -0.854 -1.102 9.468 382 HA HIS 51 HA HIS 51 -2.177 1.045 10.993 383 HB2 HIS 51 1HB HIS 51 0.023 -0.813 11.753 384 HB3 HIS 51 2HB HIS 51 0.114 0.844 12.341 385 HD1 HIS 51 1HD HIS 51 -1.380 1.471 14.273 386 HD2 HIS 51 2HD HIS 51 -2.271 -2.267 12.693 387 HE1 HIS 51 1HE HIS 51 -3.021 0.439 15.874 388 H VAL 52 H VAL 52 -1.764 2.982 10.181 389 HA VAL 52 HA VAL 52 0.658 3.370 8.571 390 HB VAL 52 HB VAL 52 -1.784 5.138 8.771 391 HG11 VAL 52 1HG1 VAL 52 0.457 6.169 8.126 392 HG12 VAL 52 2HG1 VAL 52 0.345 5.206 6.652 393 HG13 VAL 52 3HG1 VAL 52 -0.889 6.413 7.012 394 HG21 VAL 52 1HG2 VAL 52 -0.990 3.086 6.709 395 HG22 VAL 52 2HG2 VAL 52 -2.408 3.052 7.758 396 HG23 VAL 52 3HG2 VAL 52 -2.280 4.271 6.490 397 HA PRO 53 HA PRO 53 2.512 5.768 11.780 398 HB2 PRO 53 1HB PRO 53 4.381 7.037 10.275 399 HB3 PRO 53 2HB PRO 53 4.509 5.333 10.732 400 HG2 PRO 53 1HG PRO 53 3.570 6.539 8.158 401 HG3 PRO 53 2HG PRO 53 4.631 5.144 8.417 402 HD2 PRO 53 1HD PRO 53 2.005 4.884 7.810 403 HD3 PRO 53 2HD PRO 53 2.868 3.721 8.839 404 H ALA 54 H ALA 54 2.031 7.675 12.687 405 HA ALA 54 HA ALA 54 0.265 9.501 11.563 406 HB1 ALA 54 1HB ALA 54 1.601 9.181 14.030 407 HB2 ALA 54 2HB ALA 54 1.867 10.844 13.502 408 HB3 ALA 54 3HB ALA 54 0.225 10.221 13.660 409 HA PRO 55 HA PRO 55 2.558 12.318 9.101 410 HB2 PRO 55 1HB PRO 55 1.658 14.752 9.899 411 HB3 PRO 55 2HB PRO 55 0.674 13.624 8.957 412 HG2 PRO 55 1HG PRO 55 0.655 14.150 11.905 413 HG3 PRO 55 2HG PRO 55 -0.713 13.934 10.797 414 HD2 PRO 55 1HD PRO 55 0.176 11.955 12.416 415 HD3 PRO 55 2HD PRO 55 -0.532 11.637 10.820 416 H GLU 56 H GLU 56 2.671 12.852 12.565 417 HA GLU 56 HA GLU 56 4.831 14.713 12.521 418 HB2 GLU 56 1HB GLU 56 4.955 14.307 14.939 419 HB3 GLU 56 2HB GLU 56 3.303 14.604 14.417 420 HG2 GLU 56 1HG GLU 56 2.656 12.417 14.758 421 HG3 GLU 56 2HG GLU 56 4.307 11.805 14.655 422 H LEU 57 H LEU 57 4.651 11.386 11.999 423 HA LEU 57 HA LEU 57 7.356 10.840 12.935 424 HB2 LEU 57 1HB LEU 57 5.378 9.034 11.552 425 HB3 LEU 57 2HB LEU 57 6.907 8.537 12.277 426 HG LEU 57 HG LEU 57 4.700 9.779 13.897 427 HD11 LEU 57 1HD1 LEU 57 4.199 7.552 12.553 428 HD12 LEU 57 2HD1 LEU 57 3.650 7.786 14.213 429 HD13 LEU 57 3HD1 LEU 57 5.103 6.840 13.890 430 HD21 LEU 57 1HD2 LEU 57 5.842 8.832 15.757 431 HD22 LEU 57 2HD2 LEU 57 7.046 9.673 14.779 432 HD23 LEU 57 3HD2 LEU 57 6.922 7.915 14.706 433 H GLN 58 H GLN 58 5.672 11.633 10.038 434 HA GLN 58 HA GLN 58 6.291 11.771 7.846 435 HB2 GLN 58 1HB GLN 58 8.842 12.476 9.287 436 HB3 GLN 58 2HB GLN 58 8.688 12.586 7.539 437 HG2 GLN 58 1HG GLN 58 6.605 14.040 8.080 438 HG3 GLN 58 2HG GLN 58 7.367 14.211 9.661 439 HE21 GLN 58 1HE2 GLN 58 6.861 16.225 7.628 440 HE22 GLN 58 2HE2 GLN 58 8.397 16.906 7.228 441 H SER 59 H SER 59 6.093 9.184 8.474 442 HA SER 59 HA SER 59 8.523 7.914 7.400 443 HB2 SER 59 1HB SER 59 7.399 7.261 9.707 444 HB3 SER 59 2HB SER 59 6.337 6.314 8.666 445 HG SER 59 HG SER 59 9.012 5.957 9.271 446 H ASP 60 H ASP 60 8.318 6.305 5.788 447 HA ASP 60 HA ASP 60 5.805 6.463 4.255 448 HB2 ASP 60 1HB ASP 60 8.574 5.993 3.132 449 HB3 ASP 60 2HB ASP 60 7.087 6.236 2.219 450 H ILE 61 H ILE 61 6.858 4.530 6.357 451 HA ILE 61 HA ILE 61 6.601 2.074 4.747 452 HB ILE 61 HB ILE 61 7.863 2.160 7.474 453 HG12 ILE 61 1HG1 ILE 61 9.051 3.706 5.878 454 HG13 ILE 61 2HG1 ILE 61 10.036 2.381 6.489 455 HG21 ILE 61 1HG2 ILE 61 7.557 0.180 5.288 456 HG22 ILE 61 2HG2 ILE 61 9.053 0.143 6.221 457 HG23 ILE 61 3HG2 ILE 61 7.501 -0.043 7.037 458 HD11 ILE 61 1HD1 ILE 61 9.084 1.267 4.234 459 HD12 ILE 61 2HD1 ILE 61 9.128 2.965 3.758 460 HD13 ILE 61 3HD1 ILE 61 10.595 2.171 4.329 461 H ILE 62 H ILE 62 4.685 1.146 4.979 462 HA ILE 62 HA ILE 62 3.098 1.659 7.371 463 HB ILE 62 HB ILE 62 2.440 0.429 4.705 464 HG12 ILE 62 1HG1 ILE 62 1.315 2.820 6.180 465 HG13 ILE 62 2HG1 ILE 62 2.508 2.898 4.889 466 HG21 ILE 62 1HG2 ILE 62 0.915 -0.842 5.715 467 HG22 ILE 62 2HG2 ILE 62 1.157 -0.035 7.264 468 HG23 ILE 62 3HG2 ILE 62 0.052 0.654 6.074 469 HD11 ILE 62 1HD1 ILE 62 -0.181 3.124 4.566 470 HD12 ILE 62 2HD1 ILE 62 0.961 2.677 3.298 471 HD13 ILE 62 3HD1 ILE 62 0.090 1.424 4.182 472 H ALA 63 H ALA 63 2.573 0.157 8.868 473 HA ALA 63 HA ALA 63 3.906 -2.445 8.652 474 HB1 ALA 63 1HB ALA 63 3.783 -2.591 11.022 475 HB2 ALA 63 2HB ALA 63 4.328 -0.960 10.630 476 HB3 ALA 63 3HB ALA 63 2.653 -1.238 11.109 477 H ILE 64 H ILE 64 2.746 -4.151 8.078 478 HA ILE 64 HA ILE 64 -0.155 -4.122 8.589 479 HB ILE 64 HB ILE 64 1.365 -5.672 6.489 480 HG12 ILE 64 1HG1 ILE 64 -0.532 -3.334 6.186 481 HG13 ILE 64 2HG1 ILE 64 1.221 -3.226 6.069 482 HG21 ILE 64 1HG2 ILE 64 -0.480 -6.858 6.068 483 HG22 ILE 64 2HG2 ILE 64 -1.036 -6.324 7.652 484 HG23 ILE 64 3HG2 ILE 64 -1.523 -5.443 6.205 485 HD11 ILE 64 1HD1 ILE 64 0.940 -5.019 4.214 486 HD12 ILE 64 2HD1 ILE 64 -0.730 -4.450 4.181 487 HD13 ILE 64 3HD1 ILE 64 0.591 -3.326 3.865 488 H THR 65 H THR 65 -0.915 -5.515 10.029 489 HA THR 65 HA THR 65 0.812 -7.717 10.912 490 HB THR 65 HB THR 65 -1.624 -6.531 12.258 491 HG1 THR 65 1HG THR 65 -0.242 -5.160 13.069 492 HG21 THR 65 1HG2 THR 65 0.296 -8.184 13.771 493 HG22 THR 65 2HG2 THR 65 -0.710 -9.049 12.608 494 HG23 THR 65 3HG2 THR 65 -1.462 -8.094 13.886 495 H GLY 66 H GLY 66 0.192 -9.825 10.807 496 HA2 GLY 66 1HA GLY 66 -2.257 -10.976 10.688 497 HA3 GLY 66 2HA GLY 66 -1.995 -10.455 9.031 498 H LEU 67 H LEU 67 -2.354 -13.092 9.491 499 HA LEU 67 HA LEU 67 -0.039 -14.590 10.029 500 HB2 LEU 67 1HB LEU 67 -2.556 -15.167 8.503 501 HB3 LEU 67 2HB LEU 67 -1.258 -16.354 8.613 502 HG LEU 67 HG LEU 67 -2.782 -15.196 10.947 503 HD11 LEU 67 1HD1 LEU 67 -3.907 -17.270 11.100 504 HD12 LEU 67 2HD1 LEU 67 -2.877 -18.004 9.871 505 HD13 LEU 67 3HD1 LEU 67 -4.039 -16.757 9.418 506 HD21 LEU 67 1HD2 LEU 67 -1.628 -16.998 12.211 507 HD22 LEU 67 2HD2 LEU 67 -0.540 -15.746 11.609 508 HD23 LEU 67 3HD2 LEU 67 -0.632 -17.304 10.788 509 H ALA 68 H ALA 68 1.600 -15.341 8.769 510 HA ALA 68 HA ALA 68 2.715 -13.968 6.762 511 HB1 ALA 68 1HB ALA 68 3.782 -15.900 7.790 512 HB2 ALA 68 2HB ALA 68 2.683 -16.980 6.931 513 HB3 ALA 68 3HB ALA 68 3.850 -16.011 6.031 514 H ALA 69 H ALA 69 0.147 -16.358 6.358 515 HA ALA 69 HA ALA 69 0.135 -16.350 3.527 516 HB1 ALA 69 1HB ALA 69 -0.873 -18.147 4.844 517 HB2 ALA 69 2HB ALA 69 -2.105 -17.028 5.431 518 HB3 ALA 69 3HB ALA 69 -2.035 -17.444 3.717 519 H ASN 70 H ASN 70 -1.859 -14.628 5.920 520 HA ASN 70 HA ASN 70 -3.426 -13.231 4.032 521 HB2 ASN 70 1HB ASN 70 -2.768 -12.446 6.881 522 HB3 ASN 70 2HB ASN 70 -4.101 -11.820 5.914 523 HD21 ASN 70 1HD2 ASN 70 -4.463 -13.002 8.392 524 HD22 ASN 70 2HD2 ASN 70 -5.326 -14.485 8.185 525 H LEU 71 H LEU 71 -0.514 -12.315 5.844 526 HA LEU 71 HA LEU 71 -0.245 -9.689 5.092 527 HB2 LEU 71 1HB LEU 71 1.973 -11.718 5.314 528 HB3 LEU 71 2HB LEU 71 2.162 -9.967 5.392 529 HG LEU 71 HG LEU 71 0.575 -11.573 7.391 530 HD11 LEU 71 1HD1 LEU 71 2.567 -12.330 8.075 531 HD12 LEU 71 2HD1 LEU 71 2.795 -10.697 8.702 532 HD13 LEU 71 3HD1 LEU 71 3.458 -11.137 7.128 533 HD21 LEU 71 1HD2 LEU 71 0.744 -8.813 6.852 534 HD22 LEU 71 2HD2 LEU 71 1.654 -9.098 8.336 535 HD23 LEU 71 3HD2 LEU 71 -0.031 -9.607 8.223 536 H ASP 72 H ASP 72 0.534 -12.575 3.233 537 HA ASP 72 HA ASP 72 1.862 -11.270 1.105 538 HB2 ASP 72 1HB ASP 72 0.645 -13.953 1.536 539 HB3 ASP 72 2HB ASP 72 0.950 -13.455 -0.126 540 H ARG 73 H ARG 73 -1.393 -12.736 1.080 541 HA ARG 73 HA ARG 73 -2.284 -11.669 -1.295 542 HB2 ARG 73 1HB ARG 73 -4.596 -11.878 -0.295 543 HB3 ARG 73 2HB ARG 73 -3.606 -13.330 -0.229 544 HG2 ARG 73 1HG ARG 73 -3.056 -12.826 2.113 545 HG3 ARG 73 2HG ARG 73 -4.104 -11.409 2.035 546 HD2 ARG 73 1HD ARG 73 -5.450 -13.050 3.004 547 HD3 ARG 73 2HD ARG 73 -5.937 -13.049 1.309 548 HE ARG 73 HE ARG 73 -3.876 -14.954 1.873 549 HH11 ARG 73 1HH1 ARG 73 -7.308 -14.380 1.970 550 HH12 ARG 73 2HH1 ARG 73 -7.724 -16.060 1.878 551 HH21 ARG 73 1HH2 ARG 73 -4.410 -17.168 1.751 552 HH22 ARG 73 2HH2 ARG 73 -6.074 -17.646 1.754 553 H ALA 74 H ALA 74 -2.441 -10.227 1.937 554 HA ALA 74 HA ALA 74 -3.866 -7.907 1.172 555 HB1 ALA 74 1HB ALA 74 -2.027 -7.610 3.435 556 HB2 ALA 74 2HB ALA 74 -3.772 -7.364 3.347 557 HB3 ALA 74 3HB ALA 74 -3.118 -8.990 3.549 558 H LYS 75 H LYS 75 -0.404 -8.305 1.949 559 HA LYS 75 HA LYS 75 0.460 -5.778 1.246 560 HB2 LYS 75 1HB LYS 75 1.851 -7.495 2.370 561 HB3 LYS 75 2HB LYS 75 1.971 -8.368 0.848 562 HG2 LYS 75 1HG LYS 75 3.054 -6.353 -0.140 563 HG3 LYS 75 2HG LYS 75 3.066 -5.635 1.472 564 HD2 LYS 75 1HD LYS 75 4.518 -7.320 2.304 565 HD3 LYS 75 2HD LYS 75 4.309 -8.308 0.857 566 HE2 LYS 75 1HE LYS 75 5.350 -6.402 -0.436 567 HE3 LYS 75 2HE LYS 75 5.768 -5.687 1.120 568 HZ1 LYS 75 1HZ LYS 75 7.255 -7.368 1.589 569 HZ2 LYS 75 2HZ LYS 75 7.475 -7.174 -0.076 570 HZ3 LYS 75 3HZ LYS 75 6.548 -8.461 0.509 571 H ALA 76 H ALA 76 -0.209 -8.545 -0.808 572 HA ALA 76 HA ALA 76 0.975 -7.623 -3.177 573 HB1 ALA 76 1HB ALA 76 -1.541 -9.196 -3.329 574 HB2 ALA 76 2HB ALA 76 -0.023 -9.398 -4.206 575 HB3 ALA 76 3HB ALA 76 -0.148 -9.923 -2.526 576 H GLY 77 H GLY 77 -2.216 -7.040 -1.780 577 HA2 GLY 77 1HA GLY 77 -3.290 -5.689 -4.039 578 HA3 GLY 77 2HA GLY 77 -3.917 -5.621 -2.400 579 H LEU 78 H LEU 78 -1.761 -4.525 -1.054 580 HA LEU 78 HA LEU 78 -2.117 -1.784 -1.540 581 HB2 LEU 78 1HB LEU 78 -1.345 -3.026 0.588 582 HB3 LEU 78 2HB LEU 78 0.269 -2.889 -0.104 583 HG LEU 78 HG LEU 78 0.003 -0.424 -0.122 584 HD11 LEU 78 1HD1 LEU 78 -1.855 0.424 1.422 585 HD12 LEU 78 2HD1 LEU 78 -2.628 -1.133 1.128 586 HD13 LEU 78 3HD1 LEU 78 -2.297 -0.045 -0.220 587 HD21 LEU 78 1HD2 LEU 78 0.500 -0.133 2.159 588 HD22 LEU 78 2HD2 LEU 78 1.026 -1.772 1.775 589 HD23 LEU 78 3HD2 LEU 78 -0.491 -1.510 2.636 590 H LEU 79 H LEU 79 0.860 -3.713 -1.950 591 HA LEU 79 HA LEU 79 2.539 -1.952 -3.088 592 HB2 LEU 79 1HB LEU 79 2.014 -4.812 -3.822 593 HB3 LEU 79 2HB LEU 79 3.293 -3.883 -4.600 594 HG LEU 79 HG LEU 79 3.120 -4.372 -1.630 595 HD11 LEU 79 1HD1 LEU 79 3.747 -6.457 -2.123 596 HD12 LEU 79 2HD1 LEU 79 5.298 -5.747 -2.566 597 HD13 LEU 79 3HD1 LEU 79 4.084 -6.054 -3.807 598 HD21 LEU 79 1HD2 LEU 79 4.506 -2.446 -2.996 599 HD22 LEU 79 2HD2 LEU 79 5.691 -3.747 -2.866 600 HD23 LEU 79 3HD2 LEU 79 4.939 -3.090 -1.412 601 H GLU 80 H GLU 80 0.015 -3.709 -4.875 602 HA GLU 80 HA GLU 80 0.546 -2.472 -7.365 603 HB2 GLU 80 1HB GLU 80 -1.710 -4.079 -6.236 604 HB3 GLU 80 2HB GLU 80 -1.949 -3.227 -7.756 605 HG2 GLU 80 1HG GLU 80 0.341 -4.411 -8.355 606 HG3 GLU 80 2HG GLU 80 -0.221 -5.551 -7.133 607 H ARG 81 H ARG 81 -1.663 -1.725 -4.717 608 HA ARG 81 HA ARG 81 -3.147 0.289 -5.977 609 HB2 ARG 81 1HB ARG 81 -3.380 -0.891 -3.619 610 HB3 ARG 81 2HB ARG 81 -2.485 0.522 -3.076 611 HG2 ARG 81 1HG ARG 81 -4.630 1.246 -2.792 612 HG3 ARG 81 2HG ARG 81 -4.313 1.818 -4.432 613 HD2 ARG 81 1HD ARG 81 -5.372 -0.245 -5.305 614 HD3 ARG 81 2HD ARG 81 -5.770 -0.704 -3.650 615 HE ARG 81 HE ARG 81 -6.895 1.714 -3.820 616 HH11 ARG 81 1HH1 ARG 81 -6.984 -1.021 -5.973 617 HH12 ARG 81 2HH1 ARG 81 -8.566 -0.658 -6.578 618 HH21 ARG 81 1HH2 ARG 81 -8.979 2.202 -4.611 619 HH22 ARG 81 2HH2 ARG 81 -9.699 1.176 -5.804 620 H VAL 82 H VAL 82 -0.068 0.399 -4.257 621 HA VAL 82 HA VAL 82 0.172 3.238 -4.296 622 HB VAL 82 HB VAL 82 2.282 1.104 -3.953 623 HG11 VAL 82 1HG1 VAL 82 3.400 3.189 -2.777 624 HG12 VAL 82 2HG1 VAL 82 3.598 2.890 -4.505 625 HG13 VAL 82 3HG1 VAL 82 2.417 4.075 -3.943 626 HG21 VAL 82 1HG2 VAL 82 0.226 2.027 -2.241 627 HG22 VAL 82 2HG2 VAL 82 1.529 0.897 -1.873 628 HG23 VAL 82 3HG2 VAL 82 1.757 2.625 -1.603 629 H LYS 83 H LYS 83 1.793 0.680 -6.181 630 HA LYS 83 HA LYS 83 3.233 2.313 -7.900 631 HB2 LYS 83 1HB LYS 83 1.976 -0.349 -8.588 632 HB3 LYS 83 2HB LYS 83 3.339 0.401 -9.406 633 HG2 LYS 83 1HG LYS 83 4.808 -0.124 -7.743 634 HG3 LYS 83 2HG LYS 83 3.567 -0.105 -6.488 635 HD2 LYS 83 1HD LYS 83 4.260 -2.372 -6.802 636 HD3 LYS 83 2HD LYS 83 2.641 -2.204 -7.487 637 HE2 LYS 83 1HE LYS 83 4.981 -1.786 -9.275 638 HE3 LYS 83 2HE LYS 83 4.587 -3.435 -8.791 639 HZ1 LYS 83 1HZ LYS 83 2.781 -1.521 -10.165 640 HZ2 LYS 83 2HZ LYS 83 2.317 -3.051 -9.615 641 HZ3 LYS 83 3HZ LYS 83 3.479 -2.907 -10.837 642 H GLU 84 H GLU 84 -0.111 1.208 -8.121 643 HA GLU 84 HA GLU 84 -0.541 2.357 -10.714 644 HB2 GLU 84 1HB GLU 84 -2.220 0.983 -8.672 645 HB3 GLU 84 2HB GLU 84 -3.037 1.992 -9.859 646 HG2 GLU 84 1HG GLU 84 -1.058 -0.040 -10.771 647 HG3 GLU 84 2HG GLU 84 -2.680 -0.546 -10.304 648 H LEU 85 H LEU 85 -1.434 3.238 -7.393 649 HA LEU 85 HA LEU 85 -2.932 5.511 -7.930 650 HB2 LEU 85 1HB LEU 85 -1.233 4.653 -5.629 651 HB3 LEU 85 2HB LEU 85 -1.917 6.277 -5.646 652 HG LEU 85 HG LEU 85 -3.625 3.821 -5.939 653 HD11 LEU 85 1HD1 LEU 85 -3.027 3.291 -3.848 654 HD12 LEU 85 2HD1 LEU 85 -4.026 4.667 -3.380 655 HD13 LEU 85 3HD1 LEU 85 -2.282 4.863 -3.557 656 HD21 LEU 85 1HD2 LEU 85 -5.124 5.683 -4.712 657 HD22 LEU 85 2HD2 LEU 85 -5.028 5.511 -6.464 658 HD23 LEU 85 3HD2 LEU 85 -4.049 6.727 -5.643 659 H GLN 86 H GLN 86 0.532 5.415 -7.070 660 HA GLN 86 HA GLN 86 1.120 8.082 -7.448 661 HB2 GLN 86 1HB GLN 86 3.428 7.425 -7.703 662 HB3 GLN 86 2HB GLN 86 2.671 6.392 -6.497 663 HG2 GLN 86 1HG GLN 86 2.403 4.641 -8.209 664 HG3 GLN 86 2HG GLN 86 3.250 5.673 -9.361 665 HE21 GLN 86 1HE2 GLN 86 3.688 4.479 -6.044 666 HE22 GLN 86 2HE2 GLN 86 5.357 4.075 -6.230 667 H ALA 87 H ALA 87 1.182 5.472 -9.853 668 HA ALA 87 HA ALA 87 2.152 6.889 -12.029 669 HB1 ALA 87 1HB ALA 87 1.297 4.350 -11.641 670 HB2 ALA 87 2HB ALA 87 0.001 4.988 -12.654 671 HB3 ALA 87 3HB ALA 87 1.671 5.044 -13.219 672 H GLU 88 H GLU 88 -0.999 6.967 -10.550 673 HA GLU 88 HA GLU 88 -2.159 8.457 -12.764 674 HB2 GLU 88 1HB GLU 88 -3.339 7.632 -10.105 675 HB3 GLU 88 2HB GLU 88 -4.223 8.419 -11.405 676 HG2 GLU 88 1HG GLU 88 -2.856 5.754 -11.675 677 HG3 GLU 88 2HG GLU 88 -4.557 5.960 -11.260 678 H GLN 89 H GLN 89 -2.251 9.039 -9.252 679 HA GLN 89 HA GLN 89 -2.806 11.677 -9.196 680 HB2 GLN 89 1HB GLN 89 -1.574 11.834 -7.082 681 HB3 GLN 89 2HB GLN 89 -2.501 10.341 -7.174 682 HG2 GLN 89 1HG GLN 89 -0.645 9.028 -7.284 683 HG3 GLN 89 2HG GLN 89 0.330 10.277 -8.055 684 HE21 GLN 89 1HE2 GLN 89 2.041 10.309 -6.713 685 HE22 GLN 89 2HE2 GLN 89 1.960 10.714 -5.034 686 H GLU 90 H GLU 90 0.170 10.246 -10.259 687 HA GLU 90 HA GLU 90 1.639 12.735 -10.228 688 HB2 GLU 90 1HB GLU 90 2.650 10.422 -9.897 689 HB3 GLU 90 2HB GLU 90 2.433 10.184 -11.624 690 HG2 GLU 90 1HG GLU 90 4.697 10.871 -11.137 691 HG3 GLU 90 2HG GLU 90 3.865 12.108 -12.075 692 H ASP 91 H ASP 91 0.209 10.597 -12.670 693 HA ASP 91 HA ASP 91 0.950 11.612 -15.026 694 HB2 ASP 91 1HB ASP 91 -0.828 9.885 -14.677 695 HB3 ASP 91 2HB ASP 91 -1.963 11.189 -14.336 696 H ARG 92 H ARG 92 -1.254 13.210 -12.782 697 HA ARG 92 HA ARG 92 -2.024 15.342 -14.434 698 HB2 ARG 92 1HB ARG 92 -1.682 15.826 -11.517 699 HB3 ARG 92 2HB ARG 92 -3.029 16.232 -12.572 700 HG2 ARG 92 1HG ARG 92 -3.272 13.589 -12.642 701 HG3 ARG 92 2HG ARG 92 -2.472 13.740 -11.076 702 HD2 ARG 92 1HD ARG 92 -4.837 13.777 -10.715 703 HD3 ARG 92 2HD ARG 92 -4.209 15.399 -10.422 704 HE ARG 92 HE ARG 92 -5.093 15.120 -13.104 705 HH11 ARG 92 1HH1 ARG 92 -6.244 15.520 -9.842 706 HH12 ARG 92 2HH1 ARG 92 -7.714 16.304 -10.319 707 HH21 ARG 92 1HH2 ARG 92 -7.024 16.150 -13.743 708 HH22 ARG 92 2HH2 ARG 92 -8.157 16.661 -12.538 709 H ALA 93 H ALA 93 0.390 15.392 -11.804 710 HA ALA 93 HA ALA 93 1.441 17.895 -12.250 711 HB1 ALA 93 1HB ALA 93 3.183 17.304 -10.865 712 HB2 ALA 93 2HB ALA 93 1.964 16.107 -10.426 713 HB3 ALA 93 3HB ALA 93 3.282 15.666 -11.511 714 H LEU 94 H LEU 94 2.682 14.828 -13.586 715 HA LEU 94 HA LEU 94 4.778 15.649 -15.073 716 HB2 LEU 94 1HB LEU 94 4.281 13.372 -15.140 717 HB3 LEU 94 2HB LEU 94 2.628 13.656 -15.682 718 HG LEU 94 HG LEU 94 3.594 14.414 -17.880 719 HD11 LEU 94 1HD1 LEU 94 6.103 13.102 -16.857 720 HD12 LEU 94 2HD1 LEU 94 5.875 14.847 -16.970 721 HD13 LEU 94 3HD1 LEU 94 5.849 13.859 -18.430 722 HD21 LEU 94 1HD2 LEU 94 3.550 11.683 -16.785 723 HD22 LEU 94 2HD2 LEU 94 4.439 11.884 -18.296 724 HD23 LEU 94 3HD2 LEU 94 2.741 12.355 -18.201 725 H ARG 95 H ARG 95 1.374 16.046 -15.932 726 HA ARG 95 HA ARG 95 2.049 17.366 -18.425 727 HB2 ARG 95 1HB ARG 95 -0.027 15.827 -17.837 728 HB3 ARG 95 2HB ARG 95 -0.722 17.357 -17.319 729 HG2 ARG 95 1HG ARG 95 0.390 16.794 -20.060 730 HG3 ARG 95 2HG ARG 95 -1.321 16.789 -19.625 731 HD2 ARG 95 1HD ARG 95 -1.295 19.113 -19.150 732 HD3 ARG 95 2HD ARG 95 0.465 19.176 -19.221 733 HE ARG 95 HE ARG 95 -0.639 18.310 -21.692 734 HH11 ARG 95 1HH1 ARG 95 -0.100 21.136 -19.732 735 HH12 ARG 95 2HH1 ARG 95 -0.061 22.224 -21.080 736 HH21 ARG 95 1HH2 ARG 95 -0.590 19.732 -23.475 737 HH22 ARG 95 2HH2 ARG 95 -0.341 21.425 -23.208 738 H SER 96 H SER 96 3.005 19.301 -18.020 739 HA SER 96 HA SER 96 1.387 21.276 -16.554 740 HB2 SER 96 1HB SER 96 3.521 20.438 -15.360 741 HB3 SER 96 2HB SER 96 4.397 21.370 -16.573 742 HG SER 96 HG SER 96 2.997 22.225 -14.387 743 H PHE 97 H PHE 97 1.232 23.292 -17.446 744 HA PHE 97 HA PHE 97 1.236 23.719 -20.099 745 HB2 PHE 97 1HB PHE 97 1.628 25.550 -17.785 746 HB3 PHE 97 2HB PHE 97 1.918 26.204 -19.393 747 HD1 PHE 97 2HD PHE 97 -0.630 23.974 -17.816 748 HD2 PHE 97 1HD PHE 97 0.156 27.376 -20.250 749 HE1 PHE 97 2HE PHE 97 -3.049 24.320 -18.107 750 HE2 PHE 97 1HE PHE 97 -2.262 27.728 -20.544 751 HZ PHE 97 HZ PHE 97 -3.867 26.198 -19.472 752 H LYS 98 H LYS 98 2.762 23.262 -21.541 753 HA LYS 98 HA LYS 98 5.571 23.675 -20.904 754 HB2 LYS 98 1HB LYS 98 4.719 21.597 -22.051 755 HB3 LYS 98 2HB LYS 98 4.379 22.593 -23.460 756 HG2 LYS 98 1HG LYS 98 6.456 21.555 -23.859 757 HG3 LYS 98 2HG LYS 98 6.813 23.236 -23.454 758 HD2 LYS 98 1HD LYS 98 8.358 22.167 -22.143 759 HD3 LYS 98 2HD LYS 98 7.003 22.251 -21.014 760 HE2 LYS 98 1HE LYS 98 6.343 19.954 -21.890 761 HE3 LYS 98 2HE LYS 98 7.935 19.902 -22.645 762 HZ1 LYS 98 1HZ LYS 98 7.240 19.890 -19.785 763 HZ2 LYS 98 2HZ LYS 98 8.749 20.476 -20.277 764 HZ3 LYS 98 3HZ LYS 98 8.304 18.883 -20.632 765 H SER 99 H SER 99 6.919 25.113 -21.914 766 HA SER 99 HA SER 99 6.002 27.578 -22.687 767 HB2 SER 99 1HB SER 99 8.301 27.405 -22.168 768 HB3 SER 99 2HB SER 99 8.559 26.130 -23.358 769 HG SER 99 HG SER 99 7.631 28.591 -24.283 770 H GLY 100 H GLY 100 4.281 27.497 -24.119 771 HA2 GLY 100 1HA GLY 100 3.191 27.291 -26.138 772 HA3 GLY 100 2HA GLY 100 4.717 27.865 -26.792 773 HA PRO 101 HA PRO 101 4.559 23.000 -27.024 774 HB2 PRO 101 1HB PRO 101 2.039 22.005 -27.183 775 HB3 PRO 101 2HB PRO 101 2.904 22.189 -25.653 776 HG2 PRO 101 1HG PRO 101 0.832 23.965 -26.881 777 HG3 PRO 101 2HG PRO 101 1.002 23.444 -25.195 778 HD2 PRO 101 1HD PRO 101 1.810 25.881 -26.056 779 HD3 PRO 101 2HD PRO 101 2.631 25.012 -24.743 780 H SER 102 H SER 102 5.312 23.262 -29.089 781 HA SER 102 HA SER 102 4.003 24.333 -31.271 782 HB2 SER 102 1HB SER 102 6.148 22.225 -31.070 783 HB3 SER 102 2HB SER 102 5.552 22.795 -32.630 784 HG SER 102 HG SER 102 6.494 24.681 -32.321 785 H SER 103 H SER 103 2.482 23.666 -32.666 786 HA SER 103 HA SER 103 0.631 21.755 -32.116 787 HB2 SER 103 1HB SER 103 1.529 23.001 -34.684 788 HB3 SER 103 2HB SER 103 0.361 21.681 -34.743 789 HG SER 103 HG SER 103 -0.580 23.190 -32.906 790 H GLY 104 H GLY 104 0.194 19.629 -32.820 791 HA2 GLY 104 1HA GLY 104 2.519 17.945 -32.900 792 HA3 GLY 104 2HA GLY 104 0.844 17.415 -32.947 Start of MODEL 18 1 H1 GLY 1 H GLY 1 22.439 -20.864 -18.566 2 HA2 GLY 1 1HA GLY 1 24.668 -19.665 -17.394 3 HA3 GLY 1 2HA GLY 1 23.377 -18.472 -17.383 4 H SER 2 H SER 2 21.637 -18.726 -16.013 5 HA SER 2 HA SER 2 21.493 -21.124 -14.361 6 HB2 SER 2 1HB SER 2 21.475 -19.810 -12.268 7 HB3 SER 2 2HB SER 2 23.014 -19.663 -13.117 8 HG SER 2 HG SER 2 21.007 -17.767 -12.714 9 H SER 3 H SER 3 19.450 -21.739 -14.549 10 HA SER 3 HA SER 3 17.339 -20.067 -15.366 11 HB2 SER 3 1HB SER 3 15.885 -22.017 -14.605 12 HB3 SER 3 2HB SER 3 17.126 -22.397 -15.800 13 HG SER 3 HG SER 3 17.030 -23.030 -13.064 14 H GLY 4 H GLY 4 18.364 -21.199 -12.176 15 HA2 GLY 4 1HA GLY 4 17.675 -20.618 -10.059 16 HA3 GLY 4 2HA GLY 4 17.559 -19.002 -10.740 17 H SER 5 H SER 5 15.773 -22.011 -10.239 18 HA SER 5 HA SER 5 13.289 -20.425 -10.243 19 HB2 SER 5 1HB SER 5 13.741 -22.193 -12.152 20 HB3 SER 5 2HB SER 5 13.235 -23.341 -10.913 21 HG SER 5 HG SER 5 11.287 -22.802 -11.459 22 H SER 6 H SER 6 13.212 -20.129 -8.036 23 HA SER 6 HA SER 6 12.891 -22.580 -6.430 24 HB2 SER 6 1HB SER 6 14.916 -20.990 -5.982 25 HB3 SER 6 2HB SER 6 13.710 -19.963 -5.208 26 HG SER 6 HG SER 6 13.284 -21.568 -3.750 27 H GLY 7 H GLY 7 10.837 -22.882 -5.895 28 HA2 GLY 7 1HA GLY 7 9.245 -20.535 -5.092 29 HA3 GLY 7 2HA GLY 7 8.583 -21.712 -6.215 30 H LYS 8 H LYS 8 10.270 -21.774 -3.071 31 HA LYS 8 HA LYS 8 8.286 -23.755 -2.169 32 HB2 LYS 8 1HB LYS 8 11.094 -23.289 -1.149 33 HB3 LYS 8 2HB LYS 8 9.977 -24.511 -0.555 34 HG2 LYS 8 1HG LYS 8 11.336 -25.717 -1.973 35 HG3 LYS 8 2HG LYS 8 9.955 -25.339 -3.005 36 HD2 LYS 8 1HD LYS 8 11.156 -23.537 -4.047 37 HD3 LYS 8 2HD LYS 8 12.499 -23.720 -2.917 38 HE2 LYS 8 1HE LYS 8 12.567 -26.159 -3.850 39 HE3 LYS 8 2HE LYS 8 11.695 -25.455 -5.211 40 HZ1 LYS 8 1HZ LYS 8 14.449 -25.331 -4.632 41 HZ2 LYS 8 2HZ LYS 8 13.820 -23.761 -4.644 42 HZ3 LYS 8 3HZ LYS 8 13.627 -24.759 -5.996 43 H GLU 9 H GLU 9 7.527 -23.619 0.010 44 HA GLU 9 HA GLU 9 8.142 -21.443 1.718 45 HB2 GLU 9 1HB GLU 9 6.959 -19.915 0.491 46 HB3 GLU 9 2HB GLU 9 5.893 -21.131 -0.198 47 HG2 GLU 9 1HG GLU 9 4.436 -21.056 1.561 48 HG3 GLU 9 2HG GLU 9 5.671 -20.528 2.703 49 H ALA 10 H ALA 10 8.045 -22.594 3.536 50 HA ALA 10 HA ALA 10 5.518 -23.949 4.177 51 HB1 ALA 10 1HB ALA 10 7.685 -25.365 5.391 52 HB2 ALA 10 2HB ALA 10 6.453 -25.958 4.275 53 HB3 ALA 10 3HB ALA 10 7.951 -25.265 3.650 54 H LEU 11 H LEU 11 4.781 -22.566 5.699 55 HA LEU 11 HA LEU 11 6.200 -22.460 8.213 56 HB2 LEU 11 1HB LEU 11 7.218 -20.566 7.239 57 HB3 LEU 11 2HB LEU 11 5.694 -20.010 6.550 58 HG LEU 11 HG LEU 11 5.988 -20.144 9.517 59 HD11 LEU 11 1HD1 LEU 11 7.650 -18.559 7.782 60 HD12 LEU 11 2HD1 LEU 11 7.681 -18.711 9.538 61 HD13 LEU 11 3HD1 LEU 11 6.616 -17.530 8.775 62 HD21 LEU 11 1HD2 LEU 11 4.332 -18.691 7.509 63 HD22 LEU 11 2HD2 LEU 11 4.614 -17.953 9.087 64 HD23 LEU 11 3HD2 LEU 11 3.841 -19.536 8.977 65 H GLU 12 H GLU 12 4.818 -22.431 9.892 66 HA GLU 12 HA GLU 12 2.070 -21.514 9.455 67 HB2 GLU 12 1HB GLU 12 1.853 -23.856 9.107 68 HB3 GLU 12 2HB GLU 12 2.899 -24.228 10.470 69 HG2 GLU 12 1HG GLU 12 1.259 -23.759 12.029 70 HG3 GLU 12 2HG GLU 12 0.331 -22.768 10.904 71 H ALA 13 H ALA 13 1.476 -20.164 11.009 72 HA ALA 13 HA ALA 13 2.395 -20.592 13.747 73 HB1 ALA 13 1HB ALA 13 4.041 -19.076 12.703 74 HB2 ALA 13 2HB ALA 13 2.739 -17.938 12.358 75 HB3 ALA 13 3HB ALA 13 3.157 -18.320 14.028 76 H LEU 14 H LEU 14 0.729 -20.418 15.086 77 HA LEU 14 HA LEU 14 -1.853 -19.734 14.290 78 HB2 LEU 14 1HB LEU 14 -0.573 -19.903 17.003 79 HB3 LEU 14 2HB LEU 14 -2.287 -19.554 16.787 80 HG LEU 14 HG LEU 14 -0.921 -22.064 15.819 81 HD11 LEU 14 1HD1 LEU 14 -1.659 -23.180 17.717 82 HD12 LEU 14 2HD1 LEU 14 -2.791 -21.901 18.152 83 HD13 LEU 14 3HD1 LEU 14 -1.058 -21.652 18.359 84 HD21 LEU 14 1HD2 LEU 14 -3.846 -21.383 16.096 85 HD22 LEU 14 2HD2 LEU 14 -3.167 -22.891 15.482 86 HD23 LEU 14 3HD2 LEU 14 -2.945 -21.391 14.579 87 H VAL 15 H VAL 15 0.521 -17.829 16.127 88 HA VAL 15 HA VAL 15 -1.190 -15.502 16.140 89 HB VAL 15 HB VAL 15 1.682 -15.830 17.018 90 HG11 VAL 15 1HG1 VAL 15 1.656 -13.672 17.861 91 HG12 VAL 15 2HG1 VAL 15 0.808 -13.490 16.324 92 HG13 VAL 15 3HG1 VAL 15 -0.105 -13.572 17.831 93 HG21 VAL 15 1HG2 VAL 15 -0.949 -15.993 18.445 94 HG22 VAL 15 2HG2 VAL 15 0.410 -17.116 18.488 95 HG23 VAL 15 3HG2 VAL 15 0.528 -15.558 19.305 96 HA PRO 16 HA PRO 16 0.181 -13.831 12.294 97 HB2 PRO 16 1HB PRO 16 -0.574 -11.254 12.698 98 HB3 PRO 16 2HB PRO 16 -1.726 -12.550 12.353 99 HG2 PRO 16 1HG PRO 16 -0.981 -11.328 14.983 100 HG3 PRO 16 2HG PRO 16 -2.585 -11.770 14.368 101 HD2 PRO 16 1HD PRO 16 -1.215 -13.323 16.114 102 HD3 PRO 16 2HD PRO 16 -2.309 -13.999 14.890 103 H VAL 17 H VAL 17 1.328 -11.642 11.604 104 HA VAL 17 HA VAL 17 3.384 -10.850 13.515 105 HB VAL 17 HB VAL 17 5.139 -11.167 11.685 106 HG11 VAL 17 1HG1 VAL 17 5.063 -12.502 13.731 107 HG12 VAL 17 2HG1 VAL 17 3.928 -13.616 12.966 108 HG13 VAL 17 3HG1 VAL 17 5.576 -13.474 12.352 109 HG21 VAL 17 1HG2 VAL 17 4.387 -13.343 10.339 110 HG22 VAL 17 2HG2 VAL 17 2.810 -12.571 10.505 111 HG23 VAL 17 3HG2 VAL 17 4.134 -11.711 9.719 112 H THR 18 H THR 18 4.548 -8.944 12.883 113 HA THR 18 HA THR 18 2.930 -7.197 11.200 114 HB THR 18 HB THR 18 5.280 -6.512 12.979 115 HG1 THR 18 1HG THR 18 2.475 -6.207 13.407 116 HG21 THR 18 1HG2 THR 18 5.227 -4.504 12.017 117 HG22 THR 18 2HG2 THR 18 3.559 -4.312 12.558 118 HG23 THR 18 3HG2 THR 18 3.898 -5.010 10.974 119 H ILE 19 H ILE 19 3.566 -6.382 9.286 120 HA ILE 19 HA ILE 19 6.289 -7.040 8.365 121 HB ILE 19 HB ILE 19 5.444 -7.260 6.109 122 HG12 ILE 19 1HG1 ILE 19 2.638 -6.946 7.158 123 HG13 ILE 19 2HG1 ILE 19 3.550 -5.574 6.541 124 HG21 ILE 19 1HG2 ILE 19 4.462 -9.354 6.321 125 HG22 ILE 19 2HG2 ILE 19 5.308 -9.153 7.854 126 HG23 ILE 19 3HG2 ILE 19 3.564 -8.896 7.768 127 HD11 ILE 19 1HD1 ILE 19 2.086 -7.570 5.114 128 HD12 ILE 19 2HD1 ILE 19 2.843 -6.095 4.514 129 HD13 ILE 19 3HD1 ILE 19 3.775 -7.589 4.608 130 H GLU 20 H GLU 20 6.972 -5.615 6.474 131 HA GLU 20 HA GLU 20 6.106 -2.841 6.970 132 HB2 GLU 20 1HB GLU 20 8.843 -4.012 6.661 133 HB3 GLU 20 2HB GLU 20 8.553 -2.356 6.147 134 HG2 GLU 20 1HG GLU 20 7.958 -1.683 8.333 135 HG3 GLU 20 2HG GLU 20 7.865 -3.350 8.896 136 H VAL 21 H VAL 21 5.277 -1.844 5.266 137 HA VAL 21 HA VAL 21 5.953 -2.855 2.579 138 HB VAL 21 HB VAL 21 3.400 -1.409 3.255 139 HG11 VAL 21 1HG1 VAL 21 4.367 -3.063 0.940 140 HG12 VAL 21 2HG1 VAL 21 2.658 -2.709 1.199 141 HG13 VAL 21 3HG1 VAL 21 3.802 -1.392 0.937 142 HG21 VAL 21 1HG2 VAL 21 2.749 -3.191 4.427 143 HG22 VAL 21 2HG2 VAL 21 2.744 -4.076 2.902 144 HG23 VAL 21 3HG2 VAL 21 4.167 -4.122 3.942 145 H GLU 22 H GLU 22 6.896 -1.473 1.226 146 HA GLU 22 HA GLU 22 7.533 1.180 2.046 147 HB2 GLU 22 1HB GLU 22 7.928 -0.304 -0.550 148 HB3 GLU 22 2HB GLU 22 8.471 1.350 -0.306 149 HG2 GLU 22 1HG GLU 22 10.155 0.742 1.100 150 HG3 GLU 22 2HG GLU 22 9.308 -0.694 1.674 151 H VAL 23 H VAL 23 6.164 2.826 2.006 152 HA VAL 23 HA VAL 23 4.675 3.435 -0.391 153 HB VAL 23 HB VAL 23 3.217 2.831 2.184 154 HG11 VAL 23 1HG1 VAL 23 1.400 3.407 0.119 155 HG12 VAL 23 2HG1 VAL 23 1.703 4.341 1.585 156 HG13 VAL 23 3HG1 VAL 23 2.595 4.704 0.107 157 HG21 VAL 23 1HG2 VAL 23 3.583 0.819 0.997 158 HG22 VAL 23 2HG2 VAL 23 1.924 1.299 0.638 159 HG23 VAL 23 3HG2 VAL 23 3.199 1.574 -0.549 160 HA PRO 24 HA PRO 24 5.866 7.414 1.185 161 HB2 PRO 24 1HB PRO 24 4.737 8.875 -0.806 162 HB3 PRO 24 2HB PRO 24 6.252 7.986 -1.006 163 HG2 PRO 24 1HG PRO 24 3.480 7.215 -1.834 164 HG3 PRO 24 2HG PRO 24 5.002 7.050 -2.729 165 HD2 PRO 24 1HD PRO 24 3.849 4.978 -1.422 166 HD3 PRO 24 2HD PRO 24 5.608 5.138 -1.594 167 H PHE 25 H PHE 25 4.923 8.817 2.554 168 HA PHE 25 HA PHE 25 2.316 8.466 3.473 169 HB2 PHE 25 1HB PHE 25 4.240 9.596 4.679 170 HB3 PHE 25 2HB PHE 25 3.890 11.031 3.719 171 HD1 PHE 25 1HD PHE 25 1.668 12.147 3.958 172 HD2 PHE 25 2HD PHE 25 2.969 9.059 6.582 173 HE1 PHE 25 1HE PHE 25 -0.026 12.836 5.603 174 HE2 PHE 25 2HE PHE 25 1.276 9.742 8.232 175 HZ PHE 25 HZ PHE 25 -0.225 11.633 7.743 176 H ASP 26 H ASP 26 3.499 10.231 0.776 177 HA ASP 26 HA ASP 26 1.524 12.192 0.487 178 HB2 ASP 26 1HB ASP 26 3.428 10.824 -1.352 179 HB3 ASP 26 2HB ASP 26 2.106 11.737 -2.073 180 H LEU 27 H LEU 27 1.383 8.786 0.072 181 HA LEU 27 HA LEU 27 -1.129 8.968 -1.430 182 HB2 LEU 27 1HB LEU 27 0.648 6.620 -0.792 183 HB3 LEU 27 2HB LEU 27 -0.883 6.502 -1.658 184 HG LEU 27 HG LEU 27 1.614 7.915 -2.593 185 HD11 LEU 27 1HD1 LEU 27 1.509 5.383 -2.662 186 HD12 LEU 27 2HD1 LEU 27 1.819 6.202 -4.193 187 HD13 LEU 27 3HD1 LEU 27 0.211 5.570 -3.843 188 HD21 LEU 27 1HD2 LEU 27 -1.198 8.054 -3.473 189 HD22 LEU 27 2HD2 LEU 27 0.002 7.835 -4.747 190 HD23 LEU 27 3HD2 LEU 27 0.112 9.220 -3.659 191 H HIS 28 H HIS 28 0.202 8.084 1.662 192 HA HIS 28 HA HIS 28 -1.602 6.469 2.843 193 HB2 HIS 28 1HB HIS 28 -0.283 8.947 3.939 194 HB3 HIS 28 2HB HIS 28 -1.282 7.903 4.946 195 HD2 HIS 28 2HD HIS 28 0.565 5.563 2.729 196 HE1 HIS 28 1HE HIS 28 3.132 6.172 6.051 197 HE2 HIS 28 2HE HIS 28 2.707 4.816 3.971 198 H ARG 29 H ARG 29 -2.003 10.014 2.733 199 HA ARG 29 HA ARG 29 -4.475 10.256 3.868 200 HB2 ARG 29 1HB ARG 29 -4.792 12.268 2.442 201 HB3 ARG 29 2HB ARG 29 -3.213 12.202 3.213 202 HG2 ARG 29 1HG ARG 29 -2.172 11.522 1.168 203 HG3 ARG 29 2HG ARG 29 -3.740 11.349 0.375 204 HD2 ARG 29 1HD ARG 29 -3.027 13.413 -0.387 205 HD3 ARG 29 2HD ARG 29 -4.042 13.850 0.987 206 HE ARG 29 HE ARG 29 -1.174 14.148 0.769 207 HH11 ARG 29 1HH1 ARG 29 -3.939 14.046 2.883 208 HH12 ARG 29 2HH1 ARG 29 -3.159 14.919 4.159 209 HH21 ARG 29 1HH2 ARG 29 -0.136 15.299 2.443 210 HH22 ARG 29 2HH2 ARG 29 -0.996 15.633 3.908 211 H TYR 30 H TYR 30 -3.716 9.203 0.601 212 HA TYR 30 HA TYR 30 -6.493 9.107 -0.192 213 HB2 TYR 30 1HB TYR 30 -4.067 7.988 -1.611 214 HB3 TYR 30 2HB TYR 30 -5.662 8.247 -2.309 215 HD1 TYR 30 2HD TYR 30 -6.371 10.916 -1.400 216 HD2 TYR 30 1HD TYR 30 -2.607 9.420 -2.703 217 HE1 TYR 30 2HE TYR 30 -5.710 13.186 -2.079 218 HE2 TYR 30 1HE TYR 30 -1.935 11.685 -3.383 219 HH TYR 30 HH TYR 30 -3.778 14.038 -4.016 220 H VAL 31 H VAL 31 -4.120 6.957 1.142 221 HA VAL 31 HA VAL 31 -5.464 4.523 0.469 222 HB VAL 31 HB VAL 31 -3.381 5.049 2.593 223 HG11 VAL 31 1HG1 VAL 31 -3.048 2.476 2.037 224 HG12 VAL 31 2HG1 VAL 31 -4.176 3.026 3.277 225 HG13 VAL 31 3HG1 VAL 31 -4.769 2.593 1.672 226 HG21 VAL 31 1HG2 VAL 31 -3.003 3.841 -0.139 227 HG22 VAL 31 2HG2 VAL 31 -2.729 5.546 0.218 228 HG23 VAL 31 3HG2 VAL 31 -1.757 4.310 1.016 229 H ILE 32 H ILE 32 -5.065 6.300 3.536 230 HA ILE 32 HA ILE 32 -6.833 4.684 5.020 231 HB ILE 32 HB ILE 32 -6.171 7.581 5.550 232 HG12 ILE 32 1HG1 ILE 32 -4.728 5.169 6.649 233 HG13 ILE 32 2HG1 ILE 32 -4.186 6.018 5.206 234 HG21 ILE 32 1HG2 ILE 32 -7.712 7.229 7.150 235 HG22 ILE 32 2HG2 ILE 32 -7.587 5.474 7.028 236 HG23 ILE 32 3HG2 ILE 32 -6.398 6.379 7.965 237 HD11 ILE 32 1HD1 ILE 32 -2.904 6.968 6.862 238 HD12 ILE 32 2HD1 ILE 32 -4.241 8.112 6.726 239 HD13 ILE 32 3HD1 ILE 32 -4.215 6.937 8.041 240 H GLY 33 H GLY 33 -7.317 7.628 3.135 241 HA2 GLY 33 1HA GLY 33 -9.282 8.366 2.141 242 HA3 GLY 33 2HA GLY 33 -10.143 7.056 2.937 243 H GLN 34 H GLN 34 -11.828 8.553 3.427 244 HA GLN 34 HA GLN 34 -11.202 10.704 5.287 245 HB2 GLN 34 1HB GLN 34 -12.818 11.018 3.395 246 HB3 GLN 34 2HB GLN 34 -13.897 9.884 4.197 247 HG2 GLN 34 1HG GLN 34 -14.757 11.868 4.918 248 HG3 GLN 34 2HG GLN 34 -13.623 11.515 6.220 249 HE21 GLN 34 1HE2 GLN 34 -13.808 13.843 6.577 250 HE22 GLN 34 2HE2 GLN 34 -12.785 14.905 5.677 251 H LYS 35 H LYS 35 -13.157 7.743 5.184 252 HA LYS 35 HA LYS 35 -13.174 7.764 8.132 253 HB2 LYS 35 1HB LYS 35 -15.324 6.938 6.191 254 HB3 LYS 35 2HB LYS 35 -15.319 6.381 7.859 255 HG2 LYS 35 1HG LYS 35 -15.184 8.867 8.479 256 HG3 LYS 35 2HG LYS 35 -15.674 9.162 6.810 257 HD2 LYS 35 1HD LYS 35 -17.722 9.104 7.844 258 HD3 LYS 35 2HD LYS 35 -17.544 7.408 7.389 259 HE2 LYS 35 1HE LYS 35 -18.290 7.463 9.649 260 HE3 LYS 35 2HE LYS 35 -16.592 6.991 9.668 261 HZ1 LYS 35 1HZ LYS 35 -17.804 9.141 10.981 262 HZ2 LYS 35 2HZ LYS 35 -16.735 9.781 9.838 263 HZ3 LYS 35 3HZ LYS 35 -16.173 8.689 11.001 264 H GLY 36 H GLY 36 -11.029 6.635 7.055 265 HA2 GLY 36 1HA GLY 36 -9.915 4.647 6.575 266 HA3 GLY 36 2HA GLY 36 -10.701 4.192 8.081 267 H SER 37 H SER 37 -12.196 4.785 4.928 268 HA SER 37 HA SER 37 -13.500 2.193 5.097 269 HB2 SER 37 1HB SER 37 -14.745 4.285 4.461 270 HB3 SER 37 2HB SER 37 -13.820 4.309 2.959 271 HG SER 37 HG SER 37 -14.671 2.038 2.759 272 H GLY 38 H GLY 38 -11.462 3.965 2.775 273 HA2 GLY 38 1HA GLY 38 -11.207 1.993 0.841 274 HA3 GLY 38 2HA GLY 38 -9.987 3.209 1.187 275 H ILE 39 H ILE 39 -9.614 2.259 3.945 276 HA ILE 39 HA ILE 39 -7.721 0.155 3.330 277 HB ILE 39 HB ILE 39 -8.273 1.774 5.803 278 HG12 ILE 39 1HG1 ILE 39 -5.904 1.486 3.946 279 HG13 ILE 39 2HG1 ILE 39 -6.952 2.891 4.116 280 HG21 ILE 39 1HG2 ILE 39 -6.423 -0.587 5.524 281 HG22 ILE 39 2HG2 ILE 39 -6.376 0.565 6.858 282 HG23 ILE 39 3HG2 ILE 39 -7.805 -0.438 6.609 283 HD11 ILE 39 1HD1 ILE 39 -6.123 2.808 6.600 284 HD12 ILE 39 2HD1 ILE 39 -4.776 1.921 5.886 285 HD13 ILE 39 3HD1 ILE 39 -5.146 3.555 5.336 286 H ARG 40 H ARG 40 -10.751 0.542 5.046 287 HA ARG 40 HA ARG 40 -10.770 -1.846 6.498 288 HB2 ARG 40 1HB ARG 40 -12.408 -0.127 6.931 289 HB3 ARG 40 2HB ARG 40 -13.050 -0.267 5.300 290 HG2 ARG 40 1HG ARG 40 -13.489 -2.748 6.024 291 HG3 ARG 40 2HG ARG 40 -13.420 -2.055 7.646 292 HD2 ARG 40 1HD ARG 40 -15.157 -0.451 7.037 293 HD3 ARG 40 2HD ARG 40 -15.217 -1.125 5.408 294 HE ARG 40 HE ARG 40 -16.543 -2.796 6.211 295 HH11 ARG 40 1HH1 ARG 40 -14.826 -1.362 8.879 296 HH12 ARG 40 2HH1 ARG 40 -15.661 -2.286 10.083 297 HH21 ARG 40 1HH2 ARG 40 -17.650 -4.018 7.787 298 HH22 ARG 40 2HH2 ARG 40 -17.267 -3.798 9.461 299 H LYS 41 H LYS 41 -12.073 -1.154 3.259 300 HA LYS 41 HA LYS 41 -13.210 -3.508 2.561 301 HB2 LYS 41 1HB LYS 41 -12.372 -3.079 0.224 302 HB3 LYS 41 2HB LYS 41 -13.191 -1.722 0.985 303 HG2 LYS 41 1HG LYS 41 -11.298 -0.467 1.114 304 HG3 LYS 41 2HG LYS 41 -10.242 -1.874 1.249 305 HD2 LYS 41 1HD LYS 41 -10.188 -2.219 -1.032 306 HD3 LYS 41 2HD LYS 41 -11.726 -1.393 -1.297 307 HE2 LYS 41 1HE LYS 41 -10.259 0.170 -2.113 308 HE3 LYS 41 2HE LYS 41 -10.392 0.695 -0.435 309 HZ1 LYS 41 1HZ LYS 41 -8.237 0.352 -0.147 310 HZ2 LYS 41 2HZ LYS 41 -8.086 0.025 -1.798 311 HZ3 LYS 41 3HZ LYS 41 -8.345 -1.241 -0.705 312 H MET 42 H MET 42 -9.758 -2.856 2.777 313 HA MET 42 HA MET 42 -9.027 -5.455 1.760 314 HB2 MET 42 1HB MET 42 -7.319 -3.378 3.142 315 HB3 MET 42 2HB MET 42 -6.732 -4.778 2.254 316 HG2 MET 42 1HG MET 42 -7.166 -3.850 0.223 317 HG3 MET 42 2HG MET 42 -8.506 -2.879 0.828 318 HE1 MET 42 1HE MET 42 -4.870 -3.267 2.189 319 HE2 MET 42 2HE MET 42 -4.575 -3.137 0.455 320 HE3 MET 42 3HE MET 42 -4.066 -1.838 1.537 321 H MET 43 H MET 43 -9.154 -3.850 4.911 322 HA MET 43 HA MET 43 -7.989 -5.910 6.422 323 HB2 MET 43 1HB MET 43 -9.885 -3.677 7.098 324 HB3 MET 43 2HB MET 43 -9.391 -4.846 8.316 325 HG2 MET 43 1HG MET 43 -6.988 -4.226 7.571 326 HG3 MET 43 2HG MET 43 -7.759 -2.792 6.896 327 HE1 MET 43 1HE MET 43 -8.470 -0.501 9.217 328 HE2 MET 43 2HE MET 43 -9.319 -1.453 8.001 329 HE3 MET 43 3HE MET 43 -9.807 -1.548 9.692 330 H ASP 44 H ASP 44 -11.211 -5.472 5.169 331 HA ASP 44 HA ASP 44 -12.332 -7.602 6.779 332 HB2 ASP 44 1HB ASP 44 -13.371 -5.649 4.787 333 HB3 ASP 44 2HB ASP 44 -14.260 -7.158 4.979 334 H GLU 45 H GLU 45 -10.920 -7.192 3.636 335 HA GLU 45 HA GLU 45 -11.931 -9.678 2.583 336 HB2 GLU 45 1HB GLU 45 -11.486 -7.858 1.048 337 HB3 GLU 45 2HB GLU 45 -9.810 -7.778 1.573 338 HG2 GLU 45 1HG GLU 45 -9.540 -8.961 -0.339 339 HG3 GLU 45 2HG GLU 45 -9.808 -10.295 0.783 340 H PHE 46 H PHE 46 -8.695 -8.482 3.482 341 HA PHE 46 HA PHE 46 -7.643 -11.184 3.461 342 HB2 PHE 46 1HB PHE 46 -6.283 -8.586 4.208 343 HB3 PHE 46 2HB PHE 46 -5.487 -10.133 3.939 344 HD1 PHE 46 1HD PHE 46 -6.145 -11.217 1.563 345 HD2 PHE 46 2HD PHE 46 -6.168 -7.067 2.505 346 HE1 PHE 46 1HE PHE 46 -5.902 -10.678 -0.825 347 HE2 PHE 46 2HE PHE 46 -5.927 -6.520 0.119 348 HZ PHE 46 HZ PHE 46 -5.794 -8.327 -1.550 349 H GLU 47 H GLU 47 -9.453 -9.539 5.590 350 HA GLU 47 HA GLU 47 -9.798 -9.583 7.846 351 HB2 GLU 47 1HB GLU 47 -8.595 -12.308 7.370 352 HB3 GLU 47 2HB GLU 47 -9.276 -11.820 8.915 353 HG2 GLU 47 1HG GLU 47 -11.387 -11.258 7.532 354 HG3 GLU 47 2HG GLU 47 -10.656 -12.296 6.310 355 H VAL 48 H VAL 48 -7.244 -8.478 6.898 356 HA VAL 48 HA VAL 48 -5.503 -9.060 9.196 357 HB VAL 48 HB VAL 48 -3.694 -8.021 7.940 358 HG11 VAL 48 1HG1 VAL 48 -3.300 -10.008 7.033 359 HG12 VAL 48 2HG1 VAL 48 -4.996 -10.429 7.278 360 HG13 VAL 48 3HG1 VAL 48 -4.479 -9.696 5.759 361 HG21 VAL 48 1HG2 VAL 48 -5.818 -7.524 5.864 362 HG22 VAL 48 2HG2 VAL 48 -4.838 -6.327 6.710 363 HG23 VAL 48 3HG2 VAL 48 -4.089 -7.412 5.539 364 H ASN 49 H ASN 49 -4.045 -6.917 9.565 365 HA ASN 49 HA ASN 49 -5.888 -4.644 9.859 366 HB2 ASN 49 1HB ASN 49 -5.723 -5.821 12.015 367 HB3 ASN 49 2HB ASN 49 -3.970 -5.652 11.973 368 HD21 ASN 49 1HD2 ASN 49 -5.830 -4.692 13.961 369 HD22 ASN 49 2HD2 ASN 49 -5.634 -2.977 14.031 370 H ILE 50 H ILE 50 -5.101 -2.916 8.872 371 HA ILE 50 HA ILE 50 -2.210 -2.724 8.419 372 HB ILE 50 HB ILE 50 -4.497 -1.249 7.112 373 HG12 ILE 50 1HG1 ILE 50 -2.567 -3.258 5.937 374 HG13 ILE 50 2HG1 ILE 50 -4.179 -3.669 6.515 375 HG21 ILE 50 1HG2 ILE 50 -1.525 -0.966 6.854 376 HG22 ILE 50 2HG2 ILE 50 -2.598 -0.555 5.518 377 HG23 ILE 50 3HG2 ILE 50 -2.748 0.288 7.059 378 HD11 ILE 50 1HD1 ILE 50 -3.344 -2.459 4.014 379 HD12 ILE 50 2HD1 ILE 50 -4.845 -3.289 4.431 380 HD13 ILE 50 3HD1 ILE 50 -4.650 -1.576 4.802 381 H HIS 51 H HIS 51 -0.992 -1.174 9.320 382 HA HIS 51 HA HIS 51 -2.367 0.967 10.807 383 HB2 HIS 51 1HB HIS 51 -0.159 -0.861 11.622 384 HB3 HIS 51 2HB HIS 51 -0.104 0.800 12.204 385 HD1 HIS 51 1HD HIS 51 -0.461 -0.194 14.621 386 HD2 HIS 51 2HD HIS 51 -3.640 -0.723 11.999 387 HE1 HIS 51 1HE HIS 51 -2.423 -0.833 16.062 388 H VAL 52 H VAL 52 -1.813 2.979 10.281 389 HA VAL 52 HA VAL 52 0.518 3.359 8.530 390 HB VAL 52 HB VAL 52 -1.892 5.130 8.960 391 HG11 VAL 52 1HG1 VAL 52 0.198 5.517 6.846 392 HG12 VAL 52 2HG1 VAL 52 -1.010 6.660 7.437 393 HG13 VAL 52 3HG1 VAL 52 0.373 6.235 8.447 394 HG21 VAL 52 1HG2 VAL 52 -1.350 4.119 6.280 395 HG22 VAL 52 2HG2 VAL 52 -1.690 2.844 7.450 396 HG23 VAL 52 3HG2 VAL 52 -2.855 4.144 7.199 397 HA PRO 53 HA PRO 53 2.655 5.472 11.758 398 HB2 PRO 53 1HB PRO 53 4.462 6.799 10.226 399 HB3 PRO 53 2HB PRO 53 4.564 5.064 10.545 400 HG2 PRO 53 1HG PRO 53 3.495 6.487 8.139 401 HG3 PRO 53 2HG PRO 53 4.526 5.046 8.220 402 HD2 PRO 53 1HD PRO 53 1.858 4.906 7.778 403 HD3 PRO 53 2HD PRO 53 2.748 3.645 8.656 404 H ALA 54 H ALA 54 2.343 7.333 12.829 405 HA ALA 54 HA ALA 54 0.526 9.261 12.072 406 HB1 ALA 54 1HB ALA 54 1.636 8.784 14.366 407 HB2 ALA 54 2HB ALA 54 2.813 9.995 13.853 408 HB3 ALA 54 3HB ALA 54 1.107 10.423 13.985 409 HA PRO 55 HA PRO 55 2.491 11.940 9.202 410 HB2 PRO 55 1HB PRO 55 1.345 14.315 9.844 411 HB3 PRO 55 2HB PRO 55 0.472 13.020 9.016 412 HG2 PRO 55 1HG PRO 55 0.456 13.764 11.916 413 HG3 PRO 55 2HG PRO 55 -0.903 13.318 10.868 414 HD2 PRO 55 1HD PRO 55 0.232 11.575 12.602 415 HD3 PRO 55 2HD PRO 55 -0.469 11.061 11.053 416 H GLU 56 H GLU 56 2.923 12.307 12.568 417 HA GLU 56 HA GLU 56 4.783 14.526 12.341 418 HB2 GLU 56 1HB GLU 56 4.948 14.420 14.742 419 HB3 GLU 56 2HB GLU 56 3.253 14.321 14.288 420 HG2 GLU 56 1HG GLU 56 3.491 11.808 14.493 421 HG3 GLU 56 2HG GLU 56 5.044 12.121 15.265 422 H LEU 57 H LEU 57 4.912 11.245 11.858 423 HA LEU 57 HA LEU 57 7.677 10.978 12.790 424 HB2 LEU 57 1HB LEU 57 5.768 8.916 11.698 425 HB3 LEU 57 2HB LEU 57 7.397 8.589 12.282 426 HG LEU 57 HG LEU 57 5.247 9.745 14.040 427 HD11 LEU 57 1HD1 LEU 57 4.328 7.745 14.404 428 HD12 LEU 57 2HD1 LEU 57 5.891 6.929 14.422 429 HD13 LEU 57 3HD1 LEU 57 5.089 7.262 12.887 430 HD21 LEU 57 1HD2 LEU 57 7.047 10.014 15.342 431 HD22 LEU 57 2HD2 LEU 57 8.043 8.947 14.351 432 HD23 LEU 57 3HD2 LEU 57 6.963 8.268 15.570 433 H GLN 58 H GLN 58 5.810 11.426 9.944 434 HA GLN 58 HA GLN 58 6.334 11.581 7.735 435 HB2 GLN 58 1HB GLN 58 9.102 12.054 8.855 436 HB3 GLN 58 2HB GLN 58 8.617 12.374 7.195 437 HG2 GLN 58 1HG GLN 58 6.977 14.011 8.008 438 HG3 GLN 58 2HG GLN 58 7.522 13.714 9.657 439 HE21 GLN 58 1HE2 GLN 58 7.552 16.149 7.984 440 HE22 GLN 58 2HE2 GLN 58 9.195 16.685 7.985 441 H SER 59 H SER 59 6.345 8.961 8.929 442 HA SER 59 HA SER 59 8.549 7.511 7.747 443 HB2 SER 59 1HB SER 59 7.361 6.895 9.929 444 HB3 SER 59 2HB SER 59 6.044 6.302 8.917 445 HG SER 59 HG SER 59 7.192 4.606 8.450 446 H ASP 60 H ASP 60 8.537 6.356 5.894 447 HA ASP 60 HA ASP 60 6.128 6.574 4.221 448 HB2 ASP 60 1HB ASP 60 8.959 6.008 3.320 449 HB3 ASP 60 2HB ASP 60 7.576 6.383 2.297 450 H ILE 61 H ILE 61 6.899 4.492 6.306 451 HA ILE 61 HA ILE 61 6.540 2.145 4.560 452 HB ILE 61 HB ILE 61 7.846 1.895 7.243 453 HG12 ILE 61 1HG1 ILE 61 9.074 3.637 5.911 454 HG13 ILE 61 2HG1 ILE 61 10.032 2.213 6.300 455 HG21 ILE 61 1HG2 ILE 61 7.559 -0.226 6.543 456 HG22 ILE 61 2HG2 ILE 61 7.423 0.242 4.849 457 HG23 ILE 61 3HG2 ILE 61 9.013 0.096 5.597 458 HD11 ILE 61 1HD1 ILE 61 9.184 1.425 3.934 459 HD12 ILE 61 2HD1 ILE 61 9.017 3.164 3.682 460 HD13 ILE 61 3HD1 ILE 61 10.585 2.482 4.113 461 H ILE 62 H ILE 62 4.644 1.198 4.848 462 HA ILE 62 HA ILE 62 3.092 1.758 7.248 463 HB ILE 62 HB ILE 62 2.411 0.462 4.620 464 HG12 ILE 62 1HG1 ILE 62 1.163 2.834 6.014 465 HG13 ILE 62 2HG1 ILE 62 2.505 2.978 4.885 466 HG21 ILE 62 1HG2 ILE 62 1.023 0.255 7.221 467 HG22 ILE 62 2HG2 ILE 62 0.018 0.592 5.811 468 HG23 ILE 62 3HG2 ILE 62 1.033 -0.850 5.846 469 HD11 ILE 62 1HD1 ILE 62 0.319 1.430 3.789 470 HD12 ILE 62 2HD1 ILE 62 -0.174 3.055 4.265 471 HD13 ILE 62 3HD1 ILE 62 1.157 2.835 3.130 472 H ALA 63 H ALA 63 2.413 0.243 8.715 473 HA ALA 63 HA ALA 63 3.786 -2.353 8.586 474 HB1 ALA 63 1HB ALA 63 3.995 -2.330 10.853 475 HB2 ALA 63 2HB ALA 63 3.963 -0.591 10.558 476 HB3 ALA 63 3HB ALA 63 2.502 -1.421 11.095 477 H ILE 64 H ILE 64 2.632 -4.114 8.186 478 HA ILE 64 HA ILE 64 -0.273 -4.031 8.682 479 HB ILE 64 HB ILE 64 1.170 -5.671 6.597 480 HG12 ILE 64 1HG1 ILE 64 -0.567 -3.216 6.253 481 HG13 ILE 64 2HG1 ILE 64 1.187 -3.240 6.109 482 HG21 ILE 64 1HG2 ILE 64 -1.759 -5.203 6.551 483 HG22 ILE 64 2HG2 ILE 64 -0.825 -6.597 6.010 484 HG23 ILE 64 3HG2 ILE 64 -1.128 -6.352 7.730 485 HD11 ILE 64 1HD1 ILE 64 1.089 -4.589 4.163 486 HD12 ILE 64 2HD1 ILE 64 -0.635 -4.891 4.384 487 HD13 ILE 64 3HD1 ILE 64 -0.071 -3.277 3.951 488 H THR 65 H THR 65 -1.110 -5.508 10.012 489 HA THR 65 HA THR 65 0.656 -7.657 10.966 490 HB THR 65 HB THR 65 -1.835 -6.592 12.306 491 HG1 THR 65 1HG THR 65 0.831 -5.762 12.358 492 HG21 THR 65 1HG2 THR 65 0.280 -7.949 13.845 493 HG22 THR 65 2HG2 THR 65 -0.617 -8.974 12.726 494 HG23 THR 65 3HG2 THR 65 -1.474 -8.072 13.975 495 H GLY 66 H GLY 66 0.070 -9.766 10.832 496 HA2 GLY 66 1HA GLY 66 -2.391 -10.924 10.704 497 HA3 GLY 66 2HA GLY 66 -2.085 -10.434 9.044 498 H LEU 67 H LEU 67 -2.450 -13.031 9.393 499 HA LEU 67 HA LEU 67 -0.149 -14.533 10.066 500 HB2 LEU 67 1HB LEU 67 -2.618 -15.141 8.473 501 HB3 LEU 67 2HB LEU 67 -1.327 -16.325 8.666 502 HG LEU 67 HG LEU 67 -2.977 -15.114 10.884 503 HD11 LEU 67 1HD1 LEU 67 -3.094 -17.680 9.373 504 HD12 LEU 67 2HD1 LEU 67 -4.403 -16.635 9.925 505 HD13 LEU 67 3HD1 LEU 67 -3.546 -17.657 11.078 506 HD21 LEU 67 1HD2 LEU 67 -0.672 -17.044 10.896 507 HD22 LEU 67 2HD2 LEU 67 -1.823 -16.928 12.227 508 HD23 LEU 67 3HD2 LEU 67 -0.839 -15.531 11.786 509 H ALA 68 H ALA 68 1.501 -15.335 8.840 510 HA ALA 68 HA ALA 68 2.684 -13.984 6.857 511 HB1 ALA 68 1HB ALA 68 3.826 -15.831 7.787 512 HB2 ALA 68 2HB ALA 68 2.597 -16.967 7.230 513 HB3 ALA 68 3HB ALA 68 3.659 -16.176 6.065 514 H ALA 69 H ALA 69 0.171 -16.433 6.354 515 HA ALA 69 HA ALA 69 0.193 -16.396 3.543 516 HB1 ALA 69 1HB ALA 69 -2.442 -16.933 4.380 517 HB2 ALA 69 2HB ALA 69 -1.187 -18.088 3.925 518 HB3 ALA 69 3HB ALA 69 -1.368 -17.601 5.610 519 H ASN 70 H ASN 70 -1.850 -14.632 5.865 520 HA ASN 70 HA ASN 70 -3.330 -13.213 3.928 521 HB2 ASN 70 1HB ASN 70 -2.762 -12.167 6.693 522 HB3 ASN 70 2HB ASN 70 -4.215 -11.962 5.719 523 HD21 ASN 70 1HD2 ASN 70 -4.723 -12.707 8.144 524 HD22 ASN 70 2HD2 ASN 70 -5.100 -14.389 8.266 525 H LEU 71 H LEU 71 -0.513 -12.263 5.882 526 HA LEU 71 HA LEU 71 -0.175 -9.673 5.054 527 HB2 LEU 71 1HB LEU 71 2.069 -11.651 5.408 528 HB3 LEU 71 2HB LEU 71 2.160 -9.900 5.584 529 HG LEU 71 HG LEU 71 0.481 -11.639 7.380 530 HD11 LEU 71 1HD1 LEU 71 2.270 -12.284 8.517 531 HD12 LEU 71 2HD1 LEU 71 2.856 -10.625 8.626 532 HD13 LEU 71 3HD1 LEU 71 3.280 -11.619 7.232 533 HD21 LEU 71 1HD2 LEU 71 -0.283 -9.611 7.940 534 HD22 LEU 71 2HD2 LEU 71 1.046 -8.781 7.130 535 HD23 LEU 71 3HD2 LEU 71 1.267 -9.416 8.761 536 H ASP 72 H ASP 72 0.617 -12.619 3.318 537 HA ASP 72 HA ASP 72 2.108 -11.396 1.239 538 HB2 ASP 72 1HB ASP 72 0.823 -14.053 1.664 539 HB3 ASP 72 2HB ASP 72 1.270 -13.604 0.020 540 H ARG 73 H ARG 73 -1.301 -12.319 1.549 541 HA ARG 73 HA ARG 73 -2.034 -11.504 -1.071 542 HB2 ARG 73 1HB ARG 73 -4.037 -11.495 1.136 543 HB3 ARG 73 2HB ARG 73 -4.178 -12.113 -0.505 544 HG2 ARG 73 1HG ARG 73 -2.384 -13.843 0.392 545 HG3 ARG 73 2HG ARG 73 -3.127 -13.421 1.936 546 HD2 ARG 73 1HD ARG 73 -4.272 -15.328 1.054 547 HD3 ARG 73 2HD ARG 73 -5.346 -13.935 0.932 548 HE ARG 73 HE ARG 73 -3.966 -14.154 -1.478 549 HH11 ARG 73 1HH1 ARG 73 -6.297 -15.952 0.381 550 HH12 ARG 73 2HH1 ARG 73 -7.034 -16.682 -1.006 551 HH21 ARG 73 1HH2 ARG 73 -4.929 -15.109 -3.313 552 HH22 ARG 73 2HH2 ARG 73 -6.255 -16.203 -3.106 553 H ALA 74 H ALA 74 -2.570 -9.993 2.114 554 HA ALA 74 HA ALA 74 -3.752 -7.639 1.212 555 HB1 ALA 74 1HB ALA 74 -2.901 -8.678 3.672 556 HB2 ALA 74 2HB ALA 74 -2.105 -7.112 3.504 557 HB3 ALA 74 3HB ALA 74 -3.861 -7.224 3.390 558 H LYS 75 H LYS 75 -0.334 -8.129 2.122 559 HA LYS 75 HA LYS 75 0.677 -5.671 1.454 560 HB2 LYS 75 1HB LYS 75 1.973 -7.496 2.512 561 HB3 LYS 75 2HB LYS 75 2.029 -8.331 0.964 562 HG2 LYS 75 1HG LYS 75 3.243 -6.393 0.014 563 HG3 LYS 75 2HG LYS 75 3.273 -5.670 1.625 564 HD2 LYS 75 1HD LYS 75 4.733 -7.267 2.455 565 HD3 LYS 75 2HD LYS 75 4.314 -8.444 1.207 566 HE2 LYS 75 1HE LYS 75 5.603 -7.353 -0.413 567 HE3 LYS 75 2HE LYS 75 5.683 -5.863 0.525 568 HZ1 LYS 75 1HZ LYS 75 6.847 -8.270 1.705 569 HZ2 LYS 75 2HZ LYS 75 7.348 -6.660 1.822 570 HZ3 LYS 75 3HZ LYS 75 7.685 -7.550 0.424 571 H ALA 76 H ALA 76 0.237 -8.452 -0.712 572 HA ALA 76 HA ALA 76 1.323 -7.391 -3.029 573 HB1 ALA 76 1HB ALA 76 0.803 -9.507 -3.522 574 HB2 ALA 76 2HB ALA 76 -0.529 -9.547 -2.366 575 HB3 ALA 76 3HB ALA 76 -0.778 -8.869 -3.975 576 H GLY 77 H GLY 77 -1.905 -6.948 -1.661 577 HA2 GLY 77 1HA GLY 77 -2.985 -5.550 -3.887 578 HA3 GLY 77 2HA GLY 77 -3.635 -5.553 -2.254 579 H LEU 78 H LEU 78 -1.874 -4.342 -0.718 580 HA LEU 78 HA LEU 78 -2.199 -1.649 -1.139 581 HB2 LEU 78 1HB LEU 78 -1.434 -2.827 0.958 582 HB3 LEU 78 2HB LEU 78 0.186 -2.832 0.265 583 HG LEU 78 HG LEU 78 0.046 -0.322 0.182 584 HD11 LEU 78 1HD1 LEU 78 -1.619 0.823 1.423 585 HD12 LEU 78 2HD1 LEU 78 -2.289 -0.685 2.045 586 HD13 LEU 78 3HD1 LEU 78 -2.461 -0.283 0.336 587 HD21 LEU 78 1HD2 LEU 78 -0.295 -1.228 3.006 588 HD22 LEU 78 2HD2 LEU 78 0.881 -0.108 2.318 589 HD23 LEU 78 3HD2 LEU 78 1.053 -1.843 2.048 590 H LEU 79 H LEU 79 0.788 -3.497 -1.768 591 HA LEU 79 HA LEU 79 2.365 -1.532 -2.826 592 HB2 LEU 79 1HB LEU 79 2.099 -4.414 -3.647 593 HB3 LEU 79 2HB LEU 79 3.362 -3.351 -4.263 594 HG LEU 79 HG LEU 79 3.002 -3.901 -1.328 595 HD11 LEU 79 1HD1 LEU 79 4.489 -5.462 -3.409 596 HD12 LEU 79 2HD1 LEU 79 3.409 -6.045 -2.143 597 HD13 LEU 79 3HD1 LEU 79 5.013 -5.442 -1.726 598 HD21 LEU 79 1HD2 LEU 79 4.299 -1.938 -1.816 599 HD22 LEU 79 2HD2 LEU 79 5.269 -2.820 -2.995 600 HD23 LEU 79 3HD2 LEU 79 5.386 -3.219 -1.280 601 H GLU 80 H GLU 80 0.318 -3.698 -4.794 602 HA GLU 80 HA GLU 80 0.647 -2.404 -7.222 603 HB2 GLU 80 1HB GLU 80 -1.469 -4.162 -6.070 604 HB3 GLU 80 2HB GLU 80 -1.813 -3.331 -7.581 605 HG2 GLU 80 1HG GLU 80 0.749 -4.809 -7.355 606 HG3 GLU 80 2HG GLU 80 -0.739 -5.738 -7.522 607 H ARG 81 H ARG 81 -1.474 -1.637 -4.543 608 HA ARG 81 HA ARG 81 -3.160 0.186 -5.872 609 HB2 ARG 81 1HB ARG 81 -3.273 -0.893 -3.465 610 HB3 ARG 81 2HB ARG 81 -2.441 0.584 -3.000 611 HG2 ARG 81 1HG ARG 81 -4.733 0.994 -2.670 612 HG3 ARG 81 2HG ARG 81 -4.298 1.845 -4.154 613 HD2 ARG 81 1HD ARG 81 -5.144 -0.113 -5.442 614 HD3 ARG 81 2HD ARG 81 -5.706 -0.810 -3.923 615 HE ARG 81 HE ARG 81 -6.768 1.760 -4.132 616 HH11 ARG 81 1HH1 ARG 81 -6.999 -1.320 -5.739 617 HH12 ARG 81 2HH1 ARG 81 -8.634 -1.073 -6.257 618 HH21 ARG 81 1HH2 ARG 81 -8.920 2.097 -4.810 619 HH22 ARG 81 2HH2 ARG 81 -9.725 0.871 -5.729 620 H VAL 82 H VAL 82 -0.038 0.560 -4.283 621 HA VAL 82 HA VAL 82 0.027 3.399 -4.383 622 HB VAL 82 HB VAL 82 2.157 1.308 -4.023 623 HG11 VAL 82 1HG1 VAL 82 3.394 2.941 -5.136 624 HG12 VAL 82 2HG1 VAL 82 2.487 4.263 -4.400 625 HG13 VAL 82 3HG1 VAL 82 3.629 3.330 -3.432 626 HG21 VAL 82 1HG2 VAL 82 0.615 3.161 -2.293 627 HG22 VAL 82 2HG2 VAL 82 1.115 1.495 -2.004 628 HG23 VAL 82 3HG2 VAL 82 2.282 2.807 -1.836 629 H LYS 83 H LYS 83 1.229 0.853 -6.522 630 HA LYS 83 HA LYS 83 2.628 2.524 -8.308 631 HB2 LYS 83 1HB LYS 83 1.429 -0.224 -8.560 632 HB3 LYS 83 2HB LYS 83 2.207 0.560 -9.929 633 HG2 LYS 83 1HG LYS 83 3.980 -0.594 -9.115 634 HG3 LYS 83 2HG LYS 83 4.155 0.884 -8.165 635 HD2 LYS 83 1HD LYS 83 3.141 -0.120 -6.264 636 HD3 LYS 83 2HD LYS 83 2.618 -1.521 -7.201 637 HE2 LYS 83 1HE LYS 83 4.729 -2.436 -7.262 638 HE3 LYS 83 2HE LYS 83 5.525 -0.878 -7.048 639 HZ1 LYS 83 1HZ LYS 83 3.952 -1.457 -4.783 640 HZ2 LYS 83 2HZ LYS 83 5.625 -1.232 -4.879 641 HZ3 LYS 83 3HZ LYS 83 4.966 -2.773 -5.101 642 H GLU 84 H GLU 84 -0.703 1.308 -8.325 643 HA GLU 84 HA GLU 84 -1.376 2.575 -10.798 644 HB2 GLU 84 1HB GLU 84 -2.836 1.059 -8.696 645 HB3 GLU 84 2HB GLU 84 -3.785 2.114 -9.735 646 HG2 GLU 84 1HG GLU 84 -2.705 0.944 -11.694 647 HG3 GLU 84 2HG GLU 84 -2.092 -0.232 -10.532 648 H LEU 85 H LEU 85 -1.636 3.419 -7.403 649 HA LEU 85 HA LEU 85 -3.325 5.674 -7.752 650 HB2 LEU 85 1HB LEU 85 -1.486 4.768 -5.563 651 HB3 LEU 85 2HB LEU 85 -2.322 6.317 -5.475 652 HG LEU 85 HG LEU 85 -3.809 3.732 -5.843 653 HD11 LEU 85 1HD1 LEU 85 -2.830 5.003 -3.304 654 HD12 LEU 85 2HD1 LEU 85 -2.640 3.335 -3.843 655 HD13 LEU 85 3HD1 LEU 85 -4.227 3.926 -3.349 656 HD21 LEU 85 1HD2 LEU 85 -5.548 5.103 -5.966 657 HD22 LEU 85 2HD2 LEU 85 -4.506 6.501 -5.704 658 HD23 LEU 85 3HD2 LEU 85 -5.206 5.651 -4.326 659 H GLN 86 H GLN 86 0.168 5.222 -7.713 660 HA GLN 86 HA GLN 86 0.762 8.023 -7.813 661 HB2 GLN 86 1HB GLN 86 3.021 7.401 -7.907 662 HB3 GLN 86 2HB GLN 86 2.268 6.141 -6.939 663 HG2 GLN 86 1HG GLN 86 2.331 4.598 -8.726 664 HG3 GLN 86 2HG GLN 86 2.743 5.857 -9.890 665 HE21 GLN 86 1HE2 GLN 86 4.021 4.914 -6.715 666 HE22 GLN 86 2HE2 GLN 86 5.662 4.758 -7.232 667 H ALA 87 H ALA 87 0.081 5.542 -10.133 668 HA ALA 87 HA ALA 87 1.153 7.019 -12.375 669 HB1 ALA 87 1HB ALA 87 1.030 5.079 -13.463 670 HB2 ALA 87 2HB ALA 87 0.575 4.357 -11.920 671 HB3 ALA 87 3HB ALA 87 -0.674 4.870 -13.056 672 H GLU 88 H GLU 88 -1.912 6.605 -10.774 673 HA GLU 88 HA GLU 88 -3.442 7.775 -12.927 674 HB2 GLU 88 1HB GLU 88 -5.347 7.407 -11.595 675 HB3 GLU 88 2HB GLU 88 -4.292 6.042 -11.256 676 HG2 GLU 88 1HG GLU 88 -3.586 7.060 -9.180 677 HG3 GLU 88 2HG GLU 88 -4.549 8.493 -9.529 678 H GLN 89 H GLN 89 -2.326 8.764 -9.709 679 HA GLN 89 HA GLN 89 -3.499 11.351 -9.816 680 HB2 GLN 89 1HB GLN 89 -2.552 11.712 -7.748 681 HB3 GLN 89 2HB GLN 89 -2.604 9.955 -7.782 682 HG2 GLN 89 1HG GLN 89 -0.197 10.219 -8.787 683 HG3 GLN 89 2HG GLN 89 -0.274 11.789 -7.989 684 HE21 GLN 89 1HE2 GLN 89 1.626 10.482 -6.984 685 HE22 GLN 89 2HE2 GLN 89 1.244 9.671 -5.507 686 H GLU 90 H GLU 90 -0.600 9.988 -11.085 687 HA GLU 90 HA GLU 90 0.641 12.592 -11.498 688 HB2 GLU 90 1HB GLU 90 1.559 9.784 -12.133 689 HB3 GLU 90 2HB GLU 90 2.480 11.227 -12.535 690 HG2 GLU 90 1HG GLU 90 1.613 10.660 -9.725 691 HG3 GLU 90 2HG GLU 90 3.084 9.961 -10.400 692 H ASP 91 H ASP 91 -0.861 9.989 -13.335 693 HA ASP 91 HA ASP 91 -0.302 10.510 -15.911 694 HB2 ASP 91 1HB ASP 91 -1.872 8.797 -15.471 695 HB3 ASP 91 2HB ASP 91 -2.969 9.903 -14.647 696 H ARG 92 H ARG 92 -2.887 12.228 -14.150 697 HA ARG 92 HA ARG 92 -3.593 14.035 -16.111 698 HB2 ARG 92 1HB ARG 92 -4.139 15.570 -14.097 699 HB3 ARG 92 2HB ARG 92 -4.979 14.031 -14.241 700 HG2 ARG 92 1HG ARG 92 -3.603 13.037 -12.569 701 HG3 ARG 92 2HG ARG 92 -2.532 14.440 -12.541 702 HD2 ARG 92 1HD ARG 92 -5.444 14.447 -11.752 703 HD3 ARG 92 2HD ARG 92 -4.084 14.402 -10.631 704 HE ARG 92 HE ARG 92 -3.627 16.614 -12.156 705 HH11 ARG 92 1HH1 ARG 92 -6.280 15.485 -10.204 706 HH12 ARG 92 2HH1 ARG 92 -6.817 17.077 -9.781 707 HH21 ARG 92 1HH2 ARG 92 -4.325 18.716 -11.605 708 HH22 ARG 92 2HH2 ARG 92 -5.705 18.914 -10.580 709 H ALA 93 H ALA 93 -0.887 14.147 -13.868 710 HA ALA 93 HA ALA 93 -0.108 16.820 -14.518 711 HB1 ALA 93 1HB ALA 93 2.146 15.676 -13.500 712 HB2 ALA 93 2HB ALA 93 0.856 16.401 -12.539 713 HB3 ALA 93 3HB ALA 93 0.882 14.658 -12.810 714 H LEU 94 H LEU 94 0.940 13.597 -15.549 715 HA LEU 94 HA LEU 94 3.131 14.348 -17.103 716 HB2 LEU 94 1HB LEU 94 2.726 12.047 -16.552 717 HB3 LEU 94 2HB LEU 94 1.194 12.062 -17.425 718 HG LEU 94 HG LEU 94 2.479 12.393 -19.536 719 HD11 LEU 94 1HD1 LEU 94 4.761 12.404 -19.638 720 HD12 LEU 94 2HD1 LEU 94 4.946 11.512 -18.129 721 HD13 LEU 94 3HD1 LEU 94 4.521 13.223 -18.094 722 HD21 LEU 94 1HD2 LEU 94 2.574 10.167 -19.831 723 HD22 LEU 94 2HD2 LEU 94 1.896 10.104 -18.205 724 HD23 LEU 94 3HD2 LEU 94 3.635 9.923 -18.444 725 H ARG 95 H ARG 95 -0.274 13.937 -18.046 726 HA ARG 95 HA ARG 95 -1.382 14.488 -19.973 727 HB2 ARG 95 1HB ARG 95 -0.816 16.691 -18.658 728 HB3 ARG 95 2HB ARG 95 0.229 17.010 -20.037 729 HG2 ARG 95 1HG ARG 95 -1.734 16.740 -21.526 730 HG3 ARG 95 2HG ARG 95 -2.748 16.570 -20.090 731 HD2 ARG 95 1HD ARG 95 -1.754 18.819 -19.363 732 HD3 ARG 95 2HD ARG 95 -1.210 18.970 -21.034 733 HE ARG 95 HE ARG 95 -4.013 18.370 -20.758 734 HH11 ARG 95 1HH1 ARG 95 -1.608 20.883 -20.908 735 HH12 ARG 95 2HH1 ARG 95 -2.724 22.098 -21.437 736 HH21 ARG 95 1HH2 ARG 95 -5.490 19.961 -21.453 737 HH22 ARG 95 2HH2 ARG 95 -4.932 21.573 -21.746 738 H SER 96 H SER 96 0.432 12.762 -20.753 739 HA SER 96 HA SER 96 1.484 13.909 -23.246 740 HB2 SER 96 1HB SER 96 3.365 13.637 -21.673 741 HB3 SER 96 2HB SER 96 2.956 11.933 -21.485 742 HG SER 96 HG SER 96 3.199 11.954 -23.922 743 H PHE 97 H PHE 97 -0.390 13.038 -24.248 744 HA PHE 97 HA PHE 97 -1.521 10.609 -24.167 745 HB2 PHE 97 1HB PHE 97 -1.720 10.779 -26.733 746 HB3 PHE 97 2HB PHE 97 -2.396 12.085 -25.766 747 HD1 PHE 97 2HD PHE 97 0.297 11.111 -28.044 748 HD2 PHE 97 1HD PHE 97 -1.421 14.283 -25.786 749 HE1 PHE 97 2HE PHE 97 1.658 12.733 -29.295 750 HE2 PHE 97 1HE PHE 97 -0.064 15.911 -27.035 751 HZ PHE 97 HZ PHE 97 1.479 15.137 -28.791 752 H LYS 98 H LYS 98 -1.124 8.531 -24.778 753 HA LYS 98 HA LYS 98 1.588 7.952 -25.778 754 HB2 LYS 98 1HB LYS 98 -0.138 6.342 -23.888 755 HB3 LYS 98 2HB LYS 98 1.386 5.780 -24.563 756 HG2 LYS 98 1HG LYS 98 1.403 8.381 -23.146 757 HG3 LYS 98 2HG LYS 98 1.217 6.918 -22.175 758 HD2 LYS 98 1HD LYS 98 3.501 7.088 -22.214 759 HD3 LYS 98 2HD LYS 98 3.243 6.093 -23.650 760 HE2 LYS 98 1HE LYS 98 3.208 9.042 -23.988 761 HE3 LYS 98 2HE LYS 98 4.765 8.274 -23.680 762 HZ1 LYS 98 1HZ LYS 98 3.311 6.834 -25.640 763 HZ2 LYS 98 2HZ LYS 98 4.838 7.552 -25.758 764 HZ3 LYS 98 3HZ LYS 98 3.450 8.457 -26.096 765 H SER 99 H SER 99 1.385 7.504 -27.884 766 HA SER 99 HA SER 99 -0.942 6.069 -28.872 767 HB2 SER 99 1HB SER 99 -0.199 7.942 -30.205 768 HB3 SER 99 2HB SER 99 1.438 7.292 -30.286 769 HG SER 99 HG SER 99 0.573 6.627 -32.149 770 H GLY 100 H GLY 100 -0.946 4.020 -29.690 771 HA2 GLY 100 1HA GLY 100 1.585 2.511 -29.442 772 HA3 GLY 100 2HA GLY 100 0.032 1.846 -28.957 773 HA PRO 101 HA PRO 101 1.100 1.200 -33.601 774 HB2 PRO 101 1HB PRO 101 2.362 -1.201 -33.496 775 HB3 PRO 101 2HB PRO 101 3.225 0.341 -33.436 776 HG2 PRO 101 1HG PRO 101 2.452 -1.488 -31.194 777 HG3 PRO 101 2HG PRO 101 3.977 -0.623 -31.458 778 HD2 PRO 101 1HD PRO 101 2.083 0.258 -29.736 779 HD3 PRO 101 2HD PRO 101 3.141 1.361 -30.638 780 H SER 102 H SER 102 -0.155 -0.116 -34.907 781 HA SER 102 HA SER 102 -2.133 -1.744 -33.488 782 HB2 SER 102 1HB SER 102 -2.992 0.045 -34.945 783 HB3 SER 102 2HB SER 102 -2.163 -0.679 -36.323 784 HG SER 102 HG SER 102 -3.880 -2.311 -34.859 785 H SER 103 H SER 103 -2.515 -3.873 -33.961 786 HA SER 103 HA SER 103 -0.435 -5.205 -35.547 787 HB2 SER 103 1HB SER 103 -0.649 -5.927 -33.202 788 HB3 SER 103 2HB SER 103 -2.335 -6.357 -33.489 789 HG SER 103 HG SER 103 -0.279 -7.907 -33.800 790 H GLY 104 H GLY 104 -3.947 -5.188 -35.019 791 HA2 GLY 104 1HA GLY 104 -5.219 -5.158 -37.194 792 HA3 GLY 104 2HA GLY 104 -4.247 -6.561 -37.618 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.836 -9.767 -18.042 2 HA2 GLY 1 1HA GLY 1 7.826 -8.811 -15.989 3 HA3 GLY 1 2HA GLY 1 6.375 -8.552 -16.944 4 H SER 2 H SER 2 7.651 -10.456 -14.635 5 HA SER 2 HA SER 2 6.270 -12.886 -15.543 6 HB2 SER 2 1HB SER 2 8.583 -13.267 -14.910 7 HB3 SER 2 2HB SER 2 8.319 -12.488 -13.351 8 HG SER 2 HG SER 2 8.171 -14.677 -13.030 9 H SER 3 H SER 3 4.465 -13.572 -14.570 10 HA SER 3 HA SER 3 3.519 -12.053 -12.236 11 HB2 SER 3 1HB SER 3 2.061 -13.497 -14.444 12 HB3 SER 3 2HB SER 3 1.252 -13.037 -12.946 13 HG SER 3 HG SER 3 1.203 -11.044 -13.607 14 H GLY 4 H GLY 4 2.744 -13.092 -10.418 15 HA2 GLY 4 1HA GLY 4 2.187 -14.913 -9.055 16 HA3 GLY 4 2HA GLY 4 2.685 -16.000 -10.343 17 H SER 5 H SER 5 3.463 -14.835 -7.335 18 HA SER 5 HA SER 5 6.321 -15.457 -7.677 19 HB2 SER 5 1HB SER 5 6.784 -14.101 -5.763 20 HB3 SER 5 2HB SER 5 5.681 -13.174 -6.781 21 HG SER 5 HG SER 5 5.291 -14.257 -4.270 22 H SER 6 H SER 6 7.350 -16.487 -5.734 23 HA SER 6 HA SER 6 5.775 -18.802 -4.984 24 HB2 SER 6 1HB SER 6 8.297 -18.714 -5.714 25 HB3 SER 6 2HB SER 6 8.573 -18.331 -4.015 26 HG SER 6 HG SER 6 7.989 -20.303 -3.457 27 H GLY 7 H GLY 7 6.282 -19.615 -2.622 28 HA2 GLY 7 1HA GLY 7 6.633 -17.770 -0.536 29 HA3 GLY 7 2HA GLY 7 4.912 -17.903 -0.864 30 H LYS 8 H LYS 8 7.430 -19.124 0.923 31 HA LYS 8 HA LYS 8 5.784 -21.331 1.854 32 HB2 LYS 8 1HB LYS 8 7.603 -22.969 1.691 33 HB3 LYS 8 2HB LYS 8 7.131 -22.374 0.104 34 HG2 LYS 8 1HG LYS 8 9.404 -21.085 1.541 35 HG3 LYS 8 2HG LYS 8 9.646 -22.629 0.720 36 HD2 LYS 8 1HD LYS 8 8.996 -21.699 -1.378 37 HD3 LYS 8 2HD LYS 8 8.448 -20.205 -0.613 38 HE2 LYS 8 1HE LYS 8 10.747 -19.704 0.052 39 HE3 LYS 8 2HE LYS 8 11.296 -21.202 -0.697 40 HZ1 LYS 8 1HZ LYS 8 11.620 -19.947 -2.493 41 HZ2 LYS 8 2HZ LYS 8 10.675 -18.672 -1.909 42 HZ3 LYS 8 3HZ LYS 8 9.940 -19.979 -2.694 43 H GLU 9 H GLU 9 6.641 -22.290 3.867 44 HA GLU 9 HA GLU 9 8.754 -21.008 5.286 45 HB2 GLU 9 1HB GLU 9 7.430 -19.918 7.018 46 HB3 GLU 9 2HB GLU 9 7.066 -19.228 5.442 47 HG2 GLU 9 1HG GLU 9 5.058 -20.718 5.354 48 HG3 GLU 9 2HG GLU 9 5.389 -21.151 7.030 49 H ALA 10 H ALA 10 9.525 -22.412 6.724 50 HA ALA 10 HA ALA 10 8.047 -24.844 7.254 51 HB1 ALA 10 1HB ALA 10 10.495 -24.794 6.696 52 HB2 ALA 10 2HB ALA 10 10.773 -24.099 8.294 53 HB3 ALA 10 3HB ALA 10 10.074 -25.712 8.144 54 H LEU 11 H LEU 11 7.319 -22.155 8.455 55 HA LEU 11 HA LEU 11 7.318 -23.022 11.272 56 HB2 LEU 11 1HB LEU 11 8.672 -21.098 11.188 57 HB3 LEU 11 2HB LEU 11 7.572 -20.276 10.083 58 HG LEU 11 HG LEU 11 5.928 -20.081 11.918 59 HD11 LEU 11 1HD1 LEU 11 8.001 -21.656 13.335 60 HD12 LEU 11 2HD1 LEU 11 6.243 -21.701 13.479 61 HD13 LEU 11 3HD1 LEU 11 7.158 -20.405 14.248 62 HD21 LEU 11 1HD2 LEU 11 6.885 -18.082 12.070 63 HD22 LEU 11 2HD2 LEU 11 8.477 -18.747 11.703 64 HD23 LEU 11 3HD2 LEU 11 7.889 -18.730 13.366 65 H GLU 12 H GLU 12 5.380 -23.370 12.135 66 HA GLU 12 HA GLU 12 3.028 -22.199 10.798 67 HB2 GLU 12 1HB GLU 12 2.996 -24.548 10.380 68 HB3 GLU 12 2HB GLU 12 3.383 -24.917 12.054 69 HG2 GLU 12 1HG GLU 12 1.154 -23.764 12.604 70 HG3 GLU 12 2HG GLU 12 0.799 -23.967 10.889 71 H ALA 13 H ALA 13 2.098 -20.708 12.018 72 HA ALA 13 HA ALA 13 1.764 -21.218 14.884 73 HB1 ALA 13 1HB ALA 13 2.491 -18.455 14.023 74 HB2 ALA 13 2HB ALA 13 2.680 -19.231 15.597 75 HB3 ALA 13 3HB ALA 13 3.762 -19.652 14.269 76 H LEU 14 H LEU 14 0.087 -19.880 15.873 77 HA LEU 14 HA LEU 14 -2.103 -19.444 14.003 78 HB2 LEU 14 1HB LEU 14 -3.527 -19.382 15.946 79 HB3 LEU 14 2HB LEU 14 -2.477 -20.796 16.014 80 HG LEU 14 HG LEU 14 -1.006 -19.196 17.520 81 HD11 LEU 14 1HD1 LEU 14 -3.555 -18.204 18.564 82 HD12 LEU 14 2HD1 LEU 14 -3.067 -17.490 17.029 83 HD13 LEU 14 3HD1 LEU 14 -1.991 -17.400 18.423 84 HD21 LEU 14 1HD2 LEU 14 -3.362 -20.174 18.989 85 HD22 LEU 14 2HD2 LEU 14 -1.649 -20.524 19.221 86 HD23 LEU 14 3HD2 LEU 14 -2.558 -21.361 17.962 87 H VAL 15 H VAL 15 -0.150 -17.674 16.339 88 HA VAL 15 HA VAL 15 -1.622 -15.239 16.149 89 HB VAL 15 HB VAL 15 -0.122 -15.858 18.066 90 HG11 VAL 15 1HG1 VAL 15 2.219 -15.655 17.916 91 HG12 VAL 15 2HG1 VAL 15 1.743 -16.622 16.519 92 HG13 VAL 15 3HG1 VAL 15 2.133 -14.914 16.318 93 HG21 VAL 15 1HG2 VAL 15 0.757 -13.557 18.370 94 HG22 VAL 15 2HG2 VAL 15 0.342 -13.213 16.690 95 HG23 VAL 15 3HG2 VAL 15 -0.928 -13.598 17.851 96 HA PRO 16 HA PRO 16 -0.072 -13.769 12.282 97 HB2 PRO 16 1HB PRO 16 -0.770 -11.163 12.570 98 HB3 PRO 16 2HB PRO 16 -1.943 -12.438 12.223 99 HG2 PRO 16 1HG PRO 16 -1.269 -11.147 14.838 100 HG3 PRO 16 2HG PRO 16 -2.858 -11.568 14.174 101 HD2 PRO 16 1HD PRO 16 -1.601 -13.094 16.024 102 HD3 PRO 16 2HD PRO 16 -2.665 -13.783 14.781 103 H VAL 17 H VAL 17 1.195 -11.696 11.540 104 HA VAL 17 HA VAL 17 3.204 -10.907 13.516 105 HB VAL 17 HB VAL 17 4.994 -11.283 11.743 106 HG11 VAL 17 1HG1 VAL 17 5.302 -13.634 12.375 107 HG12 VAL 17 2HG1 VAL 17 4.831 -12.641 13.756 108 HG13 VAL 17 3HG1 VAL 17 3.644 -13.684 12.973 109 HG21 VAL 17 1HG2 VAL 17 4.066 -11.779 9.737 110 HG22 VAL 17 2HG2 VAL 17 4.182 -13.427 10.353 111 HG23 VAL 17 3HG2 VAL 17 2.654 -12.552 10.456 112 H THR 18 H THR 18 4.299 -8.975 13.026 113 HA THR 18 HA THR 18 2.826 -7.236 11.215 114 HB THR 18 HB THR 18 5.061 -6.513 13.118 115 HG1 THR 18 1HG THR 18 3.019 -5.637 14.235 116 HG21 THR 18 1HG2 THR 18 4.809 -4.816 11.456 117 HG22 THR 18 2HG2 THR 18 4.012 -4.236 12.919 118 HG23 THR 18 3HG2 THR 18 3.051 -4.871 11.583 119 H ILE 19 H ILE 19 3.597 -6.420 9.351 120 HA ILE 19 HA ILE 19 6.386 -7.057 8.637 121 HB ILE 19 HB ILE 19 5.670 -7.211 6.294 122 HG12 ILE 19 1HG1 ILE 19 2.814 -7.220 7.235 123 HG13 ILE 19 2HG1 ILE 19 3.604 -5.719 6.765 124 HG21 ILE 19 1HG2 ILE 19 4.889 -9.391 6.416 125 HG22 ILE 19 2HG2 ILE 19 5.648 -9.161 7.990 126 HG23 ILE 19 3HG2 ILE 19 3.894 -9.061 7.835 127 HD11 ILE 19 1HD1 ILE 19 3.931 -6.504 4.546 128 HD12 ILE 19 2HD1 ILE 19 3.409 -8.131 4.983 129 HD13 ILE 19 3HD1 ILE 19 2.248 -6.802 4.980 130 H GLU 20 H GLU 20 6.798 -5.657 6.427 131 HA GLU 20 HA GLU 20 6.044 -2.879 7.027 132 HB2 GLU 20 1HB GLU 20 8.777 -4.049 6.748 133 HB3 GLU 20 2HB GLU 20 8.499 -2.420 6.149 134 HG2 GLU 20 1HG GLU 20 7.652 -1.787 8.383 135 HG3 GLU 20 2HG GLU 20 8.070 -3.399 8.961 136 H VAL 21 H VAL 21 5.477 -1.686 5.302 137 HA VAL 21 HA VAL 21 6.034 -2.780 2.623 138 HB VAL 21 HB VAL 21 3.529 -1.229 3.132 139 HG11 VAL 21 1HG1 VAL 21 2.712 -2.542 1.253 140 HG12 VAL 21 2HG1 VAL 21 4.231 -1.745 0.838 141 HG13 VAL 21 3HG1 VAL 21 4.214 -3.466 1.226 142 HG21 VAL 21 1HG2 VAL 21 4.144 -3.875 4.214 143 HG22 VAL 21 2HG2 VAL 21 2.848 -2.752 4.628 144 HG23 VAL 21 3HG2 VAL 21 2.674 -3.826 3.240 145 H GLU 22 H GLU 22 6.677 -1.359 1.080 146 HA GLU 22 HA GLU 22 7.468 1.273 1.964 147 HB2 GLU 22 1HB GLU 22 7.826 -0.224 -0.630 148 HB3 GLU 22 2HB GLU 22 8.371 1.432 -0.407 149 HG2 GLU 22 1HG GLU 22 10.057 0.835 1.019 150 HG3 GLU 22 2HG GLU 22 9.236 -0.631 1.551 151 H VAL 23 H VAL 23 6.055 2.886 1.977 152 HA VAL 23 HA VAL 23 4.515 3.463 -0.415 153 HB VAL 23 HB VAL 23 3.167 3.024 2.252 154 HG11 VAL 23 1HG1 VAL 23 1.411 4.239 1.587 155 HG12 VAL 23 2HG1 VAL 23 2.513 4.945 0.403 156 HG13 VAL 23 3HG1 VAL 23 1.473 3.595 -0.053 157 HG21 VAL 23 1HG2 VAL 23 1.763 1.486 0.691 158 HG22 VAL 23 2HG2 VAL 23 3.190 1.541 -0.344 159 HG23 VAL 23 3HG2 VAL 23 3.318 0.921 1.303 160 HA PRO 24 HA PRO 24 5.770 7.512 0.864 161 HB2 PRO 24 1HB PRO 24 4.358 8.902 -0.991 162 HB3 PRO 24 2HB PRO 24 5.839 8.019 -1.377 163 HG2 PRO 24 1HG PRO 24 2.988 7.203 -1.783 164 HG3 PRO 24 2HG PRO 24 4.371 7.021 -2.878 165 HD2 PRO 24 1HD PRO 24 3.436 4.983 -1.361 166 HD3 PRO 24 2HD PRO 24 5.152 5.150 -1.783 167 H PHE 25 H PHE 25 5.021 8.811 2.418 168 HA PHE 25 HA PHE 25 2.511 8.510 3.595 169 HB2 PHE 25 1HB PHE 25 4.547 9.496 4.682 170 HB3 PHE 25 2HB PHE 25 4.263 10.969 3.762 171 HD1 PHE 25 1HD PHE 25 2.281 12.352 4.217 172 HD2 PHE 25 2HD PHE 25 3.248 8.961 6.602 173 HE1 PHE 25 1HE PHE 25 0.765 13.162 5.978 174 HE2 PHE 25 2HE PHE 25 1.733 9.765 8.366 175 HZ PHE 25 HZ PHE 25 0.489 11.868 8.055 176 H ASP 26 H ASP 26 3.347 10.110 0.745 177 HA ASP 26 HA ASP 26 1.356 12.169 0.815 178 HB2 ASP 26 1HB ASP 26 3.187 11.056 -1.281 179 HB3 ASP 26 2HB ASP 26 1.860 12.114 -1.755 180 H LEU 27 H LEU 27 1.244 8.837 0.357 181 HA LEU 27 HA LEU 27 -1.219 8.984 -1.235 182 HB2 LEU 27 1HB LEU 27 0.706 6.758 -0.645 183 HB3 LEU 27 2HB LEU 27 -0.896 6.449 -1.311 184 HG LEU 27 HG LEU 27 1.269 8.094 -2.620 185 HD11 LEU 27 1HD1 LEU 27 1.274 6.220 -4.260 186 HD12 LEU 27 2HD1 LEU 27 0.252 5.309 -3.150 187 HD13 LEU 27 3HD1 LEU 27 1.879 5.782 -2.662 188 HD21 LEU 27 1HD2 LEU 27 -0.654 9.020 -3.470 189 HD22 LEU 27 2HD2 LEU 27 -1.582 7.530 -3.292 190 HD23 LEU 27 3HD2 LEU 27 -0.403 7.685 -4.595 191 H HIS 28 H HIS 28 0.028 8.220 1.900 192 HA HIS 28 HA HIS 28 -1.748 6.533 3.046 193 HB2 HIS 28 1HB HIS 28 -0.598 9.086 4.171 194 HB3 HIS 28 2HB HIS 28 -1.521 7.947 5.146 195 HD2 HIS 28 2HD HIS 28 0.553 5.823 2.902 196 HE1 HIS 28 1HE HIS 28 2.997 6.550 6.293 197 HE2 HIS 28 2HE HIS 28 2.726 5.223 4.170 198 H ARG 29 H ARG 29 -2.262 10.066 2.995 199 HA ARG 29 HA ARG 29 -4.802 10.174 3.998 200 HB2 ARG 29 1HB ARG 29 -5.082 12.188 2.395 201 HB3 ARG 29 2HB ARG 29 -3.811 12.245 3.609 202 HG2 ARG 29 1HG ARG 29 -2.140 11.719 1.987 203 HG3 ARG 29 2HG ARG 29 -3.365 11.401 0.757 204 HD2 ARG 29 1HD ARG 29 -2.571 13.548 0.262 205 HD3 ARG 29 2HD ARG 29 -4.097 13.818 1.102 206 HE ARG 29 HE ARG 29 -2.296 13.935 3.100 207 HH11 ARG 29 1HH1 ARG 29 -2.479 15.489 -0.008 208 HH12 ARG 29 2HH1 ARG 29 -1.643 16.916 0.509 209 HH21 ARG 29 1HH2 ARG 29 -1.194 15.808 3.795 210 HH22 ARG 29 2HH2 ARG 29 -0.912 17.095 2.673 211 H TYR 30 H TYR 30 -3.803 9.165 0.805 212 HA TYR 30 HA TYR 30 -6.522 9.080 -0.200 213 HB2 TYR 30 1HB TYR 30 -3.977 8.063 -1.479 214 HB3 TYR 30 2HB TYR 30 -5.529 8.297 -2.277 215 HD1 TYR 30 2HD TYR 30 -6.284 10.950 -1.122 216 HD2 TYR 30 1HD TYR 30 -2.580 9.532 -2.661 217 HE1 TYR 30 2HE TYR 30 -5.647 13.255 -1.695 218 HE2 TYR 30 1HE TYR 30 -1.931 11.833 -3.237 219 HH TYR 30 HH TYR 30 -3.487 14.533 -2.048 220 H VAL 31 H VAL 31 -4.233 6.959 1.289 221 HA VAL 31 HA VAL 31 -5.489 4.517 0.443 222 HB VAL 31 HB VAL 31 -3.411 5.108 2.546 223 HG11 VAL 31 1HG1 VAL 31 -4.048 3.195 3.520 224 HG12 VAL 31 2HG1 VAL 31 -5.037 2.713 2.139 225 HG13 VAL 31 3HG1 VAL 31 -3.300 2.406 2.133 226 HG21 VAL 31 1HG2 VAL 31 -3.388 4.104 -0.261 227 HG22 VAL 31 2HG2 VAL 31 -2.329 5.276 0.526 228 HG23 VAL 31 3HG2 VAL 31 -2.138 3.555 0.857 229 H ILE 32 H ILE 32 -5.290 6.272 3.538 230 HA ILE 32 HA ILE 32 -6.987 4.592 4.994 231 HB ILE 32 HB ILE 32 -6.633 7.564 5.390 232 HG12 ILE 32 1HG1 ILE 32 -5.076 5.351 6.727 233 HG13 ILE 32 2HG1 ILE 32 -4.507 6.162 5.271 234 HG21 ILE 32 1HG2 ILE 32 -8.120 5.532 6.801 235 HG22 ILE 32 2HG2 ILE 32 -6.909 6.277 7.842 236 HG23 ILE 32 3HG2 ILE 32 -8.110 7.281 7.029 237 HD11 ILE 32 1HD1 ILE 32 -3.757 6.937 7.665 238 HD12 ILE 32 2HD1 ILE 32 -4.042 8.100 6.370 239 HD13 ILE 32 3HD1 ILE 32 -5.275 7.832 7.601 240 H GLY 33 H GLY 33 -7.716 7.572 3.191 241 HA2 GLY 33 1HA GLY 33 -9.716 7.833 1.921 242 HA3 GLY 33 2HA GLY 33 -10.495 6.651 2.963 243 H GLN 34 H GLN 34 -12.208 8.317 2.982 244 HA GLN 34 HA GLN 34 -11.644 10.678 4.587 245 HB2 GLN 34 1HB GLN 34 -13.066 10.991 2.658 246 HB3 GLN 34 2HB GLN 34 -14.158 9.726 3.207 247 HG2 GLN 34 1HG GLN 34 -15.278 11.656 3.783 248 HG3 GLN 34 2HG GLN 34 -14.474 11.209 5.287 249 HE21 GLN 34 1HE2 GLN 34 -15.409 13.813 4.086 250 HE22 GLN 34 2HE2 GLN 34 -14.041 14.859 4.222 251 H LYS 35 H LYS 35 -13.541 7.701 4.767 252 HA LYS 35 HA LYS 35 -13.946 8.224 7.640 253 HB2 LYS 35 1HB LYS 35 -15.927 6.637 7.383 254 HB3 LYS 35 2HB LYS 35 -16.099 8.239 6.678 255 HG2 LYS 35 1HG LYS 35 -15.436 7.246 4.479 256 HG3 LYS 35 2HG LYS 35 -15.531 5.658 5.243 257 HD2 LYS 35 1HD LYS 35 -17.787 7.653 5.050 258 HD3 LYS 35 2HD LYS 35 -17.595 6.220 4.038 259 HE2 LYS 35 1HE LYS 35 -17.555 4.915 6.249 260 HE3 LYS 35 2HE LYS 35 -18.205 6.385 6.973 261 HZ1 LYS 35 1HZ LYS 35 -19.491 4.451 5.249 262 HZ2 LYS 35 2HZ LYS 35 -19.822 6.065 4.866 263 HZ3 LYS 35 3HZ LYS 35 -20.161 5.476 6.416 264 H GLY 36 H GLY 36 -11.582 7.116 6.955 265 HA2 GLY 36 1HA GLY 36 -10.271 5.204 7.043 266 HA3 GLY 36 2HA GLY 36 -11.213 4.953 8.506 267 H SER 37 H SER 37 -12.459 4.854 5.213 268 HA SER 37 HA SER 37 -13.352 2.113 5.701 269 HB2 SER 37 1HB SER 37 -14.794 2.465 3.719 270 HB3 SER 37 2HB SER 37 -15.052 3.699 4.953 271 HG SER 37 HG SER 37 -13.734 5.098 3.735 272 H GLY 38 H GLY 38 -11.621 4.009 3.241 273 HA2 GLY 38 1HA GLY 38 -11.061 2.273 1.283 274 HA3 GLY 38 2HA GLY 38 -9.819 3.330 1.937 275 H ILE 39 H ILE 39 -8.705 2.477 3.938 276 HA ILE 39 HA ILE 39 -7.443 0.061 3.369 277 HB ILE 39 HB ILE 39 -7.657 1.536 5.993 278 HG12 ILE 39 1HG1 ILE 39 -5.371 1.386 4.020 279 HG13 ILE 39 2HG1 ILE 39 -6.553 2.690 4.052 280 HG21 ILE 39 1HG2 ILE 39 -5.323 0.017 5.995 281 HG22 ILE 39 2HG2 ILE 39 -6.773 -0.261 6.959 282 HG23 ILE 39 3HG2 ILE 39 -6.577 -1.075 5.408 283 HD11 ILE 39 1HD1 ILE 39 -4.213 2.257 5.702 284 HD12 ILE 39 2HD1 ILE 39 -5.152 3.725 5.425 285 HD13 ILE 39 3HD1 ILE 39 -5.664 2.568 6.654 286 H ARG 40 H ARG 40 -10.193 0.757 5.465 287 HA ARG 40 HA ARG 40 -10.443 -1.584 6.871 288 HB2 ARG 40 1HB ARG 40 -11.938 0.574 6.784 289 HB3 ARG 40 2HB ARG 40 -12.891 -0.371 5.648 290 HG2 ARG 40 1HG ARG 40 -12.160 -1.458 8.341 291 HG3 ARG 40 2HG ARG 40 -13.558 -0.404 8.118 292 HD2 ARG 40 1HD ARG 40 -14.290 -2.012 6.294 293 HD3 ARG 40 2HD ARG 40 -13.048 -3.107 6.902 294 HE ARG 40 HE ARG 40 -14.355 -3.530 8.751 295 HH11 ARG 40 1HH1 ARG 40 -15.671 -0.856 6.953 296 HH12 ARG 40 2HH1 ARG 40 -17.159 -0.822 7.839 297 HH21 ARG 40 1HH2 ARG 40 -16.309 -3.497 9.926 298 HH22 ARG 40 2HH2 ARG 40 -17.520 -2.324 9.531 299 H LYS 41 H LYS 41 -11.606 -0.924 3.582 300 HA LYS 41 HA LYS 41 -12.953 -3.245 3.024 301 HB2 LYS 41 1HB LYS 41 -12.878 -1.443 1.427 302 HB3 LYS 41 2HB LYS 41 -11.140 -1.630 1.227 303 HG2 LYS 41 1HG LYS 41 -11.762 -4.034 0.447 304 HG3 LYS 41 2HG LYS 41 -13.359 -3.329 0.187 305 HD2 LYS 41 1HD LYS 41 -12.446 -1.687 -1.317 306 HD3 LYS 41 2HD LYS 41 -10.800 -2.213 -0.955 307 HE2 LYS 41 1HE LYS 41 -11.737 -4.539 -1.775 308 HE3 LYS 41 2HE LYS 41 -12.896 -3.515 -2.622 309 HZ1 LYS 41 1HZ LYS 41 -10.040 -2.882 -2.833 310 HZ2 LYS 41 2HZ LYS 41 -11.283 -2.629 -3.951 311 HZ3 LYS 41 3HZ LYS 41 -10.648 -4.180 -3.731 312 H MET 42 H MET 42 -9.455 -2.702 2.881 313 HA MET 42 HA MET 42 -8.844 -5.321 1.936 314 HB2 MET 42 1HB MET 42 -7.007 -3.422 3.401 315 HB3 MET 42 2HB MET 42 -6.539 -4.745 2.339 316 HG2 MET 42 1HG MET 42 -7.323 -3.605 0.422 317 HG3 MET 42 2HG MET 42 -8.142 -2.387 1.398 318 HE1 MET 42 1HE MET 42 -3.772 -3.025 0.573 319 HE2 MET 42 2HE MET 42 -4.042 -3.232 2.304 320 HE3 MET 42 3HE MET 42 -4.944 -4.212 1.148 321 H MET 43 H MET 43 -8.809 -3.781 5.131 322 HA MET 43 HA MET 43 -7.742 -5.914 6.585 323 HB2 MET 43 1HB MET 43 -9.776 -3.879 7.514 324 HB3 MET 43 2HB MET 43 -8.754 -4.864 8.552 325 HG2 MET 43 1HG MET 43 -6.798 -3.756 7.286 326 HG3 MET 43 2HG MET 43 -8.002 -2.565 6.800 327 HE1 MET 43 1HE MET 43 -9.802 -1.729 9.047 328 HE2 MET 43 2HE MET 43 -8.778 -0.558 9.877 329 HE3 MET 43 3HE MET 43 -8.747 -0.666 8.117 330 H ASP 44 H ASP 44 -10.872 -5.470 5.200 331 HA ASP 44 HA ASP 44 -12.029 -7.634 6.784 332 HB2 ASP 44 1HB ASP 44 -13.123 -5.528 4.971 333 HB3 ASP 44 2HB ASP 44 -14.044 -7.014 5.180 334 H GLU 45 H GLU 45 -10.961 -6.898 3.527 335 HA GLU 45 HA GLU 45 -11.981 -9.338 2.399 336 HB2 GLU 45 1HB GLU 45 -11.750 -7.376 0.987 337 HB3 GLU 45 2HB GLU 45 -10.025 -7.299 1.324 338 HG2 GLU 45 1HG GLU 45 -10.100 -8.264 -0.768 339 HG3 GLU 45 2HG GLU 45 -9.942 -9.658 0.298 340 H PHE 46 H PHE 46 -8.678 -8.099 2.950 341 HA PHE 46 HA PHE 46 -7.522 -10.699 2.552 342 HB2 PHE 46 1HB PHE 46 -6.345 -8.082 3.502 343 HB3 PHE 46 2HB PHE 46 -5.400 -9.546 3.249 344 HD1 PHE 46 1HD PHE 46 -5.267 -10.525 0.948 345 HD2 PHE 46 2HD PHE 46 -6.922 -6.678 1.712 346 HE1 PHE 46 1HE PHE 46 -4.994 -9.939 -1.427 347 HE2 PHE 46 2HE PHE 46 -6.652 -6.088 -0.661 348 HZ PHE 46 HZ PHE 46 -5.688 -7.718 -2.234 349 H GLU 47 H GLU 47 -9.212 -9.419 5.054 350 HA GLU 47 HA GLU 47 -9.407 -9.853 7.283 351 HB2 GLU 47 1HB GLU 47 -8.032 -12.443 6.550 352 HB3 GLU 47 2HB GLU 47 -9.050 -12.156 7.955 353 HG2 GLU 47 1HG GLU 47 -10.971 -11.791 6.489 354 HG3 GLU 47 2HG GLU 47 -9.949 -12.086 5.083 355 H VAL 48 H VAL 48 -7.392 -8.174 6.957 356 HA VAL 48 HA VAL 48 -5.432 -9.085 8.937 357 HB VAL 48 HB VAL 48 -3.605 -7.954 7.704 358 HG11 VAL 48 1HG1 VAL 48 -3.163 -10.039 7.079 359 HG12 VAL 48 2HG1 VAL 48 -4.882 -10.439 7.045 360 HG13 VAL 48 3HG1 VAL 48 -4.103 -9.760 5.614 361 HG21 VAL 48 1HG2 VAL 48 -5.082 -6.462 6.372 362 HG22 VAL 48 2HG2 VAL 48 -3.871 -7.302 5.404 363 HG23 VAL 48 3HG2 VAL 48 -5.545 -7.856 5.396 364 H ASN 49 H ASN 49 -4.004 -7.080 9.563 365 HA ASN 49 HA ASN 49 -5.792 -4.755 9.850 366 HB2 ASN 49 1HB ASN 49 -4.174 -6.232 11.872 367 HB3 ASN 49 2HB ASN 49 -4.318 -4.487 12.051 368 HD21 ASN 49 1HD2 ASN 49 -6.182 -3.628 12.781 369 HD22 ASN 49 2HD2 ASN 49 -7.569 -4.555 13.230 370 H ILE 50 H ILE 50 -5.005 -2.897 9.113 371 HA ILE 50 HA ILE 50 -2.126 -2.736 8.534 372 HB ILE 50 HB ILE 50 -4.446 -1.233 7.320 373 HG12 ILE 50 1HG1 ILE 50 -2.471 -3.177 6.102 374 HG13 ILE 50 2HG1 ILE 50 -4.125 -3.571 6.557 375 HG21 ILE 50 1HG2 ILE 50 -1.708 -0.464 7.555 376 HG22 ILE 50 2HG2 ILE 50 -2.070 -0.799 5.863 377 HG23 ILE 50 3HG2 ILE 50 -3.033 0.380 6.753 378 HD11 ILE 50 1HD1 ILE 50 -3.131 -2.394 4.143 379 HD12 ILE 50 2HD1 ILE 50 -4.747 -2.995 4.517 380 HD13 ILE 50 3HD1 ILE 50 -4.315 -1.329 4.903 381 H HIS 51 H HIS 51 -0.891 -1.145 9.380 382 HA HIS 51 HA HIS 51 -2.235 0.860 11.070 383 HB2 HIS 51 1HB HIS 51 0.120 -0.890 11.617 384 HB3 HIS 51 2HB HIS 51 0.109 0.731 12.306 385 HD1 HIS 51 1HD HIS 51 -0.061 -1.898 14.010 386 HD2 HIS 51 2HD HIS 51 -3.292 0.457 12.879 387 HE1 HIS 51 1HE HIS 51 -1.868 -2.386 15.689 388 H VAL 52 H VAL 52 -1.902 2.885 10.454 389 HA VAL 52 HA VAL 52 0.392 3.466 8.707 390 HB VAL 52 HB VAL 52 -2.214 4.949 9.065 391 HG11 VAL 52 1HG1 VAL 52 0.249 6.033 8.367 392 HG12 VAL 52 2HG1 VAL 52 -0.587 5.795 6.832 393 HG13 VAL 52 3HG1 VAL 52 -1.338 6.756 8.106 394 HG21 VAL 52 1HG2 VAL 52 -1.068 3.374 6.764 395 HG22 VAL 52 2HG2 VAL 52 -2.469 2.948 7.747 396 HG23 VAL 52 3HG2 VAL 52 -2.533 4.350 6.679 397 HA PRO 53 HA PRO 53 2.201 5.731 12.058 398 HB2 PRO 53 1HB PRO 53 4.160 6.938 10.618 399 HB3 PRO 53 2HB PRO 53 4.222 5.235 11.086 400 HG2 PRO 53 1HG PRO 53 3.413 6.454 8.474 401 HG3 PRO 53 2HG PRO 53 4.425 5.029 8.779 402 HD2 PRO 53 1HD PRO 53 1.818 4.840 8.076 403 HD3 PRO 53 2HD PRO 53 2.608 3.660 9.140 404 H ALA 54 H ALA 54 2.260 7.834 12.844 405 HA ALA 54 HA ALA 54 0.384 9.654 11.762 406 HB1 ALA 54 1HB ALA 54 1.851 11.152 13.521 407 HB2 ALA 54 2HB ALA 54 0.470 10.138 13.943 408 HB3 ALA 54 3HB ALA 54 2.110 9.511 14.112 409 HA PRO 55 HA PRO 55 2.698 12.246 9.083 410 HB2 PRO 55 1HB PRO 55 1.939 14.750 9.805 411 HB3 PRO 55 2HB PRO 55 0.868 13.630 8.954 412 HG2 PRO 55 1HG PRO 55 0.992 14.284 11.872 413 HG3 PRO 55 2HG PRO 55 -0.428 14.082 10.830 414 HD2 PRO 55 1HD PRO 55 0.440 12.137 12.501 415 HD3 PRO 55 2HD PRO 55 -0.347 11.782 10.949 416 H GLU 56 H GLU 56 2.938 13.013 12.509 417 HA GLU 56 HA GLU 56 5.135 14.777 12.346 418 HB2 GLU 56 1HB GLU 56 5.310 14.558 14.701 419 HB3 GLU 56 2HB GLU 56 3.597 14.443 14.326 420 HG2 GLU 56 1HG GLU 56 3.542 12.143 14.729 421 HG3 GLU 56 2HG GLU 56 5.298 11.998 14.643 422 H LEU 57 H LEU 57 4.889 11.374 12.035 423 HA LEU 57 HA LEU 57 7.705 10.920 12.624 424 HB2 LEU 57 1HB LEU 57 5.496 9.051 11.783 425 HB3 LEU 57 2HB LEU 57 7.156 8.550 12.101 426 HG LEU 57 HG LEU 57 5.433 9.877 14.182 427 HD11 LEU 57 1HD1 LEU 57 5.729 7.119 14.712 428 HD12 LEU 57 2HD1 LEU 57 5.115 7.277 13.065 429 HD13 LEU 57 3HD1 LEU 57 4.245 8.022 14.407 430 HD21 LEU 57 1HD2 LEU 57 8.084 9.553 14.187 431 HD22 LEU 57 2HD2 LEU 57 7.609 7.972 14.808 432 HD23 LEU 57 3HD2 LEU 57 7.104 9.439 15.650 433 H GLN 58 H GLN 58 5.740 11.694 9.974 434 HA GLN 58 HA GLN 58 6.005 11.534 7.692 435 HB2 GLN 58 1HB GLN 58 8.863 12.231 8.350 436 HB3 GLN 58 2HB GLN 58 7.933 12.704 6.935 437 HG2 GLN 58 1HG GLN 58 6.948 13.557 9.600 438 HG3 GLN 58 2HG GLN 58 8.373 14.358 8.941 439 HE21 GLN 58 1HE2 GLN 58 7.041 16.269 8.937 440 HE22 GLN 58 2HE2 GLN 58 5.953 16.550 7.626 441 H SER 59 H SER 59 6.127 8.996 8.719 442 HA SER 59 HA SER 59 8.483 7.700 7.592 443 HB2 SER 59 1HB SER 59 7.437 7.053 9.835 444 HB3 SER 59 2HB SER 59 6.134 6.324 8.896 445 HG SER 59 HG SER 59 8.135 5.316 7.767 446 H ASP 60 H ASP 60 8.449 6.290 5.871 447 HA ASP 60 HA ASP 60 5.998 6.344 4.241 448 HB2 ASP 60 1HB ASP 60 8.850 5.942 3.313 449 HB3 ASP 60 2HB ASP 60 7.426 6.078 2.285 450 H ILE 61 H ILE 61 7.064 4.415 6.397 451 HA ILE 61 HA ILE 61 6.779 1.964 4.782 452 HB ILE 61 HB ILE 61 8.123 1.970 7.463 453 HG12 ILE 61 1HG1 ILE 61 9.275 3.656 6.058 454 HG13 ILE 61 2HG1 ILE 61 10.288 2.257 6.391 455 HG21 ILE 61 1HG2 ILE 61 7.807 0.125 5.176 456 HG22 ILE 61 2HG2 ILE 61 9.361 0.097 6.008 457 HG23 ILE 61 3HG2 ILE 61 7.874 -0.211 6.905 458 HD11 ILE 61 1HD1 ILE 61 9.584 1.372 4.139 459 HD12 ILE 61 2HD1 ILE 61 8.893 2.965 3.833 460 HD13 ILE 61 3HD1 ILE 61 10.623 2.797 4.130 461 H ILE 62 H ILE 62 4.734 1.312 5.025 462 HA ILE 62 HA ILE 62 3.296 1.724 7.498 463 HB ILE 62 HB ILE 62 2.537 0.469 4.869 464 HG12 ILE 62 1HG1 ILE 62 1.389 2.861 6.315 465 HG13 ILE 62 2HG1 ILE 62 2.672 2.974 5.116 466 HG21 ILE 62 1HG2 ILE 62 1.099 0.421 7.487 467 HG22 ILE 62 2HG2 ILE 62 0.185 0.498 5.981 468 HG23 ILE 62 3HG2 ILE 62 1.277 -0.853 6.281 469 HD11 ILE 62 1HD1 ILE 62 -0.180 2.734 4.756 470 HD12 ILE 62 2HD1 ILE 62 1.072 3.200 3.603 471 HD13 ILE 62 3HD1 ILE 62 0.700 1.495 3.860 472 H ALA 63 H ALA 63 2.461 0.103 8.837 473 HA ALA 63 HA ALA 63 3.887 -2.468 8.657 474 HB1 ALA 63 1HB ALA 63 2.656 -1.589 11.212 475 HB2 ALA 63 2HB ALA 63 4.129 -2.516 10.923 476 HB3 ALA 63 3HB ALA 63 4.122 -0.770 10.672 477 H ILE 64 H ILE 64 2.719 -4.226 8.269 478 HA ILE 64 HA ILE 64 -0.183 -4.117 8.772 479 HB ILE 64 HB ILE 64 1.221 -5.810 6.705 480 HG12 ILE 64 1HG1 ILE 64 -0.378 -3.270 6.320 481 HG13 ILE 64 2HG1 ILE 64 1.374 -3.388 6.198 482 HG21 ILE 64 1HG2 ILE 64 -0.750 -6.916 7.155 483 HG22 ILE 64 2HG2 ILE 64 -1.624 -5.431 7.524 484 HG23 ILE 64 3HG2 ILE 64 -1.242 -5.836 5.851 485 HD11 ILE 64 1HD1 ILE 64 -0.717 -4.490 4.368 486 HD12 ILE 64 2HD1 ILE 64 0.656 -3.448 3.997 487 HD13 ILE 64 3HD1 ILE 64 0.919 -5.147 4.387 488 H THR 65 H THR 65 -1.020 -5.565 10.129 489 HA THR 65 HA THR 65 0.712 -7.754 11.054 490 HB THR 65 HB THR 65 -1.690 -6.540 12.435 491 HG1 THR 65 1HG THR 65 1.071 -6.038 12.553 492 HG21 THR 65 1HG2 THR 65 -1.514 -8.114 14.034 493 HG22 THR 65 2HG2 THR 65 0.249 -8.107 13.981 494 HG23 THR 65 3HG2 THR 65 -0.665 -9.044 12.800 495 H GLY 66 H GLY 66 0.033 -9.853 11.014 496 HA2 GLY 66 1HA GLY 66 -2.424 -10.964 10.938 497 HA3 GLY 66 2HA GLY 66 -2.200 -10.449 9.273 498 H LEU 67 H LEU 67 -2.582 -13.013 9.466 499 HA LEU 67 HA LEU 67 -0.310 -14.601 10.054 500 HB2 LEU 67 1HB LEU 67 -2.777 -15.105 8.410 501 HB3 LEU 67 2HB LEU 67 -1.532 -16.327 8.663 502 HG LEU 67 HG LEU 67 -3.288 -15.070 10.768 503 HD11 LEU 67 1HD1 LEU 67 -3.114 -17.978 10.101 504 HD12 LEU 67 2HD1 LEU 67 -4.142 -16.904 9.152 505 HD13 LEU 67 3HD1 LEU 67 -4.416 -17.084 10.885 506 HD21 LEU 67 1HD2 LEU 67 -0.871 -16.824 10.958 507 HD22 LEU 67 2HD2 LEU 67 -2.148 -16.923 12.172 508 HD23 LEU 67 3HD2 LEU 67 -1.297 -15.399 11.907 509 H ALA 68 H ALA 68 1.375 -15.240 8.827 510 HA ALA 68 HA ALA 68 2.466 -13.836 6.826 511 HB1 ALA 68 1HB ALA 68 2.540 -16.843 7.041 512 HB2 ALA 68 2HB ALA 68 3.670 -15.856 6.113 513 HB3 ALA 68 3HB ALA 68 3.605 -15.706 7.868 514 H ALA 69 H ALA 69 -0.030 -16.295 6.418 515 HA ALA 69 HA ALA 69 -0.004 -16.362 3.595 516 HB1 ALA 69 1HB ALA 69 -1.774 -17.328 5.738 517 HB2 ALA 69 2HB ALA 69 -2.549 -17.051 4.177 518 HB3 ALA 69 3HB ALA 69 -1.176 -18.151 4.297 519 H ASN 70 H ASN 70 -1.901 -14.466 5.915 520 HA ASN 70 HA ASN 70 -3.434 -13.135 3.904 521 HB2 ASN 70 1HB ASN 70 -2.999 -12.111 6.703 522 HB3 ASN 70 2HB ASN 70 -4.408 -11.902 5.668 523 HD21 ASN 70 1HD2 ASN 70 -4.928 -12.705 8.114 524 HD22 ASN 70 2HD2 ASN 70 -5.331 -14.385 8.172 525 H LEU 71 H LEU 71 -0.562 -12.326 5.798 526 HA LEU 71 HA LEU 71 -0.274 -9.658 5.078 527 HB2 LEU 71 1HB LEU 71 1.990 -11.609 5.438 528 HB3 LEU 71 2HB LEU 71 2.030 -9.865 5.685 529 HG LEU 71 HG LEU 71 0.332 -11.697 7.362 530 HD11 LEU 71 1HD1 LEU 71 2.113 -12.430 8.454 531 HD12 LEU 71 2HD1 LEU 71 2.635 -10.773 8.757 532 HD13 LEU 71 3HD1 LEU 71 3.156 -11.608 7.294 533 HD21 LEU 71 1HD2 LEU 71 -0.450 -9.668 7.934 534 HD22 LEU 71 2HD2 LEU 71 0.962 -8.827 7.292 535 HD23 LEU 71 3HD2 LEU 71 1.029 -9.573 8.889 536 H ASP 72 H ASP 72 0.483 -12.572 3.298 537 HA ASP 72 HA ASP 72 2.065 -11.351 1.283 538 HB2 ASP 72 1HB ASP 72 0.712 -13.978 1.641 539 HB3 ASP 72 2HB ASP 72 1.160 -13.512 0.003 540 H ARG 73 H ARG 73 -1.271 -12.612 1.099 541 HA ARG 73 HA ARG 73 -1.881 -11.471 -1.379 542 HB2 ARG 73 1HB ARG 73 -4.299 -11.714 -0.561 543 HB3 ARG 73 2HB ARG 73 -3.320 -13.174 -0.646 544 HG2 ARG 73 1HG ARG 73 -3.022 -13.220 1.702 545 HG3 ARG 73 2HG ARG 73 -3.684 -11.595 1.884 546 HD2 ARG 73 1HD ARG 73 -5.831 -12.563 0.877 547 HD3 ARG 73 2HD ARG 73 -5.118 -14.142 1.200 548 HE ARG 73 HE ARG 73 -5.137 -12.396 3.482 549 HH11 ARG 73 1HH1 ARG 73 -6.958 -14.725 1.644 550 HH12 ARG 73 2HH1 ARG 73 -7.971 -15.177 2.975 551 HH21 ARG 73 1HH2 ARG 73 -6.464 -12.983 5.241 552 HH22 ARG 73 2HH2 ARG 73 -7.689 -14.185 5.021 553 H ALA 74 H ALA 74 -2.094 -10.179 1.878 554 HA ALA 74 HA ALA 74 -3.589 -7.853 1.183 555 HB1 ALA 74 1HB ALA 74 -3.379 -8.883 3.485 556 HB2 ALA 74 2HB ALA 74 -1.786 -8.131 3.573 557 HB3 ALA 74 3HB ALA 74 -3.226 -7.128 3.399 558 H LYS 75 H LYS 75 -0.137 -8.413 1.853 559 HA LYS 75 HA LYS 75 0.721 -5.784 1.386 560 HB2 LYS 75 1HB LYS 75 2.075 -7.538 2.506 561 HB3 LYS 75 2HB LYS 75 2.277 -8.340 0.955 562 HG2 LYS 75 1HG LYS 75 3.308 -6.158 0.144 563 HG3 LYS 75 2HG LYS 75 3.379 -5.698 1.846 564 HD2 LYS 75 1HD LYS 75 4.880 -7.415 2.367 565 HD3 LYS 75 2HD LYS 75 4.510 -8.307 0.890 566 HE2 LYS 75 1HE LYS 75 5.864 -6.996 -0.403 567 HE3 LYS 75 2HE LYS 75 5.649 -5.577 0.620 568 HZ1 LYS 75 1HZ LYS 75 7.860 -7.075 0.580 569 HZ2 LYS 75 2HZ LYS 75 7.031 -7.794 1.867 570 HZ3 LYS 75 3HZ LYS 75 7.381 -6.139 1.905 571 H ALA 76 H ALA 76 0.420 -8.558 -0.794 572 HA ALA 76 HA ALA 76 1.581 -7.395 -3.063 573 HB1 ALA 76 1HB ALA 76 -0.617 -9.457 -2.963 574 HB2 ALA 76 2HB ALA 76 0.438 -9.120 -4.336 575 HB3 ALA 76 3HB ALA 76 1.110 -9.794 -2.851 576 H GLY 77 H GLY 77 -1.579 -7.026 -1.641 577 HA2 GLY 77 1HA GLY 77 -2.835 -5.893 -3.949 578 HA3 GLY 77 2HA GLY 77 -3.442 -5.837 -2.300 579 H LEU 78 H LEU 78 -1.559 -4.465 -0.945 580 HA LEU 78 HA LEU 78 -2.116 -1.804 -1.538 581 HB2 LEU 78 1HB LEU 78 -1.207 -2.925 0.617 582 HB3 LEU 78 2HB LEU 78 0.377 -2.594 -0.082 583 HG LEU 78 HG LEU 78 -0.247 -0.177 -0.162 584 HD11 LEU 78 1HD1 LEU 78 -2.647 -1.182 1.351 585 HD12 LEU 78 2HD1 LEU 78 -2.625 -0.282 -0.164 586 HD13 LEU 78 3HD1 LEU 78 -2.131 0.504 1.335 587 HD21 LEU 78 1HD2 LEU 78 0.580 0.163 1.920 588 HD22 LEU 78 2HD2 LEU 78 0.868 -1.574 1.823 589 HD23 LEU 78 3HD2 LEU 78 -0.550 -0.961 2.675 590 H LEU 79 H LEU 79 0.913 -3.599 -2.085 591 HA LEU 79 HA LEU 79 2.464 -1.665 -3.224 592 HB2 LEU 79 1HB LEU 79 2.201 -4.557 -4.024 593 HB3 LEU 79 2HB LEU 79 3.488 -3.494 -4.590 594 HG LEU 79 HG LEU 79 3.027 -4.071 -1.672 595 HD11 LEU 79 1HD1 LEU 79 5.299 -5.447 -2.575 596 HD12 LEU 79 2HD1 LEU 79 3.999 -5.854 -3.694 597 HD13 LEU 79 3HD1 LEU 79 3.792 -6.130 -1.964 598 HD21 LEU 79 1HD2 LEU 79 4.350 -2.072 -2.293 599 HD22 LEU 79 2HD2 LEU 79 5.466 -3.119 -3.170 600 HD23 LEU 79 3HD2 LEU 79 5.289 -3.284 -1.421 601 H GLU 80 H GLU 80 0.246 -3.808 -5.018 602 HA GLU 80 HA GLU 80 0.588 -2.584 -7.517 603 HB2 GLU 80 1HB GLU 80 -1.751 -4.132 -6.394 604 HB3 GLU 80 2HB GLU 80 -1.615 -3.651 -8.079 605 HG2 GLU 80 1HG GLU 80 0.500 -4.939 -8.220 606 HG3 GLU 80 2HG GLU 80 0.214 -5.506 -6.576 607 H ARG 81 H ARG 81 -1.514 -1.823 -4.817 608 HA ARG 81 HA ARG 81 -3.182 0.012 -6.205 609 HB2 ARG 81 1HB ARG 81 -3.464 -1.181 -3.868 610 HB3 ARG 81 2HB ARG 81 -2.668 0.269 -3.271 611 HG2 ARG 81 1HG ARG 81 -4.872 0.856 -3.081 612 HG3 ARG 81 2HG ARG 81 -4.489 1.499 -4.680 613 HD2 ARG 81 1HD ARG 81 -5.372 -0.610 -5.666 614 HD3 ARG 81 2HD ARG 81 -5.878 -1.101 -4.049 615 HE ARG 81 HE ARG 81 -7.133 0.868 -5.745 616 HH11 ARG 81 1HH1 ARG 81 -6.756 -0.344 -2.503 617 HH12 ARG 81 2HH1 ARG 81 -8.254 0.320 -1.942 618 HH21 ARG 81 1HH2 ARG 81 -9.109 1.745 -5.018 619 HH22 ARG 81 2HH2 ARG 81 -9.593 1.508 -3.373 620 H VAL 82 H VAL 82 -0.130 0.285 -4.501 621 HA VAL 82 HA VAL 82 -0.073 3.123 -4.369 622 HB VAL 82 HB VAL 82 2.138 1.076 -4.223 623 HG11 VAL 82 1HG1 VAL 82 3.046 3.177 -5.058 624 HG12 VAL 82 2HG1 VAL 82 2.293 4.047 -3.720 625 HG13 VAL 82 3HG1 VAL 82 3.577 2.879 -3.404 626 HG21 VAL 82 1HG2 VAL 82 1.549 2.710 -1.884 627 HG22 VAL 82 2HG2 VAL 82 0.181 1.726 -2.404 628 HG23 VAL 82 3HG2 VAL 82 1.725 0.961 -2.028 629 H LYS 83 H LYS 83 1.604 0.818 -6.512 630 HA LYS 83 HA LYS 83 2.853 2.655 -8.170 631 HB2 LYS 83 1HB LYS 83 1.973 -0.173 -8.459 632 HB3 LYS 83 2HB LYS 83 2.411 0.691 -9.927 633 HG2 LYS 83 1HG LYS 83 4.616 0.911 -9.304 634 HG3 LYS 83 2HG LYS 83 4.256 0.741 -7.584 635 HD2 LYS 83 1HD LYS 83 5.308 -1.273 -8.209 636 HD3 LYS 83 2HD LYS 83 3.587 -1.652 -8.112 637 HE2 LYS 83 1HE LYS 83 4.241 -2.658 -10.102 638 HE3 LYS 83 2HE LYS 83 3.557 -1.122 -10.636 639 HZ1 LYS 83 1HZ LYS 83 6.246 -2.100 -10.858 640 HZ2 LYS 83 2HZ LYS 83 6.172 -0.538 -10.215 641 HZ3 LYS 83 3HZ LYS 83 5.471 -0.867 -11.719 642 H GLU 84 H GLU 84 -0.380 1.218 -8.473 643 HA GLU 84 HA GLU 84 -1.045 2.495 -10.906 644 HB2 GLU 84 1HB GLU 84 -2.184 0.512 -9.562 645 HB3 GLU 84 2HB GLU 84 -3.167 1.821 -8.920 646 HG2 GLU 84 1HG GLU 84 -4.444 1.253 -10.699 647 HG3 GLU 84 2HG GLU 84 -3.388 2.426 -11.483 648 H LEU 85 H LEU 85 -1.904 3.277 -7.538 649 HA LEU 85 HA LEU 85 -3.418 5.532 -7.941 650 HB2 LEU 85 1HB LEU 85 -1.537 4.712 -5.769 651 HB3 LEU 85 2HB LEU 85 -2.282 6.309 -5.723 652 HG LEU 85 HG LEU 85 -3.983 3.860 -5.994 653 HD11 LEU 85 1HD1 LEU 85 -3.432 4.966 -3.294 654 HD12 LEU 85 2HD1 LEU 85 -2.257 3.857 -3.997 655 HD13 LEU 85 3HD1 LEU 85 -3.929 3.344 -3.774 656 HD21 LEU 85 1HD2 LEU 85 -5.652 5.252 -4.978 657 HD22 LEU 85 2HD2 LEU 85 -4.920 6.142 -6.314 658 HD23 LEU 85 3HD2 LEU 85 -4.466 6.515 -4.650 659 H GLN 86 H GLN 86 0.103 5.508 -7.354 660 HA GLN 86 HA GLN 86 0.510 8.235 -7.831 661 HB2 GLN 86 1HB GLN 86 2.818 7.764 -7.831 662 HB3 GLN 86 2HB GLN 86 2.111 6.552 -6.771 663 HG2 GLN 86 1HG GLN 86 2.248 4.887 -8.496 664 HG3 GLN 86 2HG GLN 86 2.802 6.088 -9.662 665 HE21 GLN 86 1HE2 GLN 86 3.641 4.563 -6.589 666 HE22 GLN 86 2HE2 GLN 86 5.353 4.653 -6.807 667 H ALA 87 H ALA 87 0.101 5.568 -10.005 668 HA ALA 87 HA ALA 87 1.216 6.878 -12.303 669 HB1 ALA 87 1HB ALA 87 1.231 4.769 -12.994 670 HB2 ALA 87 2HB ALA 87 0.180 4.277 -11.666 671 HB3 ALA 87 3HB ALA 87 -0.520 4.861 -13.175 672 H GLU 88 H GLU 88 -1.942 6.627 -10.823 673 HA GLU 88 HA GLU 88 -3.338 7.726 -13.091 674 HB2 GLU 88 1HB GLU 88 -4.237 7.275 -10.240 675 HB3 GLU 88 2HB GLU 88 -5.287 7.772 -11.560 676 HG2 GLU 88 1HG GLU 88 -3.683 5.262 -11.777 677 HG3 GLU 88 2HG GLU 88 -5.193 5.284 -10.867 678 H GLN 89 H GLN 89 -2.765 8.885 -9.764 679 HA GLN 89 HA GLN 89 -3.718 11.460 -10.072 680 HB2 GLN 89 1HB GLN 89 -2.761 11.926 -8.035 681 HB3 GLN 89 2HB GLN 89 -2.761 10.168 -7.986 682 HG2 GLN 89 1HG GLN 89 -0.378 10.456 -9.041 683 HG3 GLN 89 2HG GLN 89 -0.491 12.059 -8.318 684 HE21 GLN 89 1HE2 GLN 89 1.177 11.603 -6.877 685 HE22 GLN 89 2HE2 GLN 89 0.953 10.566 -5.514 686 H GLU 90 H GLU 90 -0.657 10.097 -11.067 687 HA GLU 90 HA GLU 90 0.518 12.656 -11.690 688 HB2 GLU 90 1HB GLU 90 1.910 10.754 -10.976 689 HB3 GLU 90 2HB GLU 90 1.427 9.865 -12.413 690 HG2 GLU 90 1HG GLU 90 2.494 11.547 -13.820 691 HG3 GLU 90 2HG GLU 90 2.975 12.446 -12.383 692 H ASP 91 H ASP 91 -0.781 9.911 -13.531 693 HA ASP 91 HA ASP 91 -0.300 10.815 -16.100 694 HB2 ASP 91 1HB ASP 91 -2.402 9.063 -14.891 695 HB3 ASP 91 2HB ASP 91 -2.555 9.543 -16.579 696 H ARG 92 H ARG 92 -3.176 11.405 -14.087 697 HA ARG 92 HA ARG 92 -4.556 13.001 -15.930 698 HB2 ARG 92 1HB ARG 92 -5.939 13.683 -14.095 699 HB3 ARG 92 2HB ARG 92 -5.517 11.994 -13.851 700 HG2 ARG 92 1HG ARG 92 -5.152 12.758 -11.751 701 HG3 ARG 92 2HG ARG 92 -3.555 13.075 -12.436 702 HD2 ARG 92 1HD ARG 92 -4.304 15.012 -11.209 703 HD3 ARG 92 2HD ARG 92 -4.265 15.387 -12.931 704 HE ARG 92 HE ARG 92 -6.840 14.533 -12.323 705 HH11 ARG 92 1HH1 ARG 92 -4.705 17.161 -11.517 706 HH12 ARG 92 2HH1 ARG 92 -5.988 18.296 -11.255 707 HH21 ARG 92 1HH2 ARG 92 -8.539 16.017 -11.981 708 HH22 ARG 92 2HH2 ARG 92 -8.169 17.643 -11.518 709 H ALA 93 H ALA 93 -1.965 13.736 -13.716 710 HA ALA 93 HA ALA 93 -2.244 16.604 -14.093 711 HB1 ALA 93 1HB ALA 93 0.104 15.366 -12.733 712 HB2 ALA 93 2HB ALA 93 -0.738 16.875 -12.377 713 HB3 ALA 93 3HB ALA 93 -1.473 15.331 -11.944 714 H LEU 94 H LEU 94 -0.525 13.963 -15.470 715 HA LEU 94 HA LEU 94 1.798 15.107 -16.416 716 HB2 LEU 94 1HB LEU 94 0.729 12.707 -16.682 717 HB3 LEU 94 2HB LEU 94 0.237 13.354 -18.246 718 HG LEU 94 HG LEU 94 2.275 12.087 -18.488 719 HD11 LEU 94 1HD1 LEU 94 1.883 14.299 -19.717 720 HD12 LEU 94 2HD1 LEU 94 3.516 13.634 -19.717 721 HD13 LEU 94 3HD1 LEU 94 3.106 14.965 -18.635 722 HD21 LEU 94 1HD2 LEU 94 3.044 12.343 -16.146 723 HD22 LEU 94 2HD2 LEU 94 3.527 13.998 -16.519 724 HD23 LEU 94 3HD2 LEU 94 4.312 12.645 -17.334 725 H ARG 95 H ARG 95 -1.478 15.614 -17.468 726 HA ARG 95 HA ARG 95 -2.413 16.932 -19.076 727 HB2 ARG 95 1HB ARG 95 -1.081 18.554 -17.565 728 HB3 ARG 95 2HB ARG 95 0.050 18.645 -18.909 729 HG2 ARG 95 1HG ARG 95 -1.499 19.675 -20.305 730 HG3 ARG 95 2HG ARG 95 -2.868 19.162 -19.319 731 HD2 ARG 95 1HD ARG 95 -0.786 20.985 -18.182 732 HD3 ARG 95 2HD ARG 95 -2.060 21.630 -19.217 733 HE ARG 95 HE ARG 95 -2.317 20.861 -16.505 734 HH11 ARG 95 1HH1 ARG 95 -4.016 20.818 -19.543 735 HH12 ARG 95 2HH1 ARG 95 -5.587 20.829 -18.814 736 HH21 ARG 95 1HH2 ARG 95 -4.380 20.876 -15.533 737 HH22 ARG 95 2HH2 ARG 95 -5.793 20.864 -16.532 738 H SER 96 H SER 96 -1.214 14.778 -20.200 739 HA SER 96 HA SER 96 0.496 15.682 -22.375 740 HB2 SER 96 1HB SER 96 0.623 13.416 -21.018 741 HB3 SER 96 2HB SER 96 -0.562 12.889 -22.212 742 HG SER 96 HG SER 96 1.666 12.514 -22.807 743 H PHE 97 H PHE 97 -0.109 15.909 -24.461 744 HA PHE 97 HA PHE 97 -2.837 16.280 -25.079 745 HB2 PHE 97 1HB PHE 97 -1.925 16.362 -27.489 746 HB3 PHE 97 2HB PHE 97 -1.342 17.569 -26.348 747 HD1 PHE 97 1HD PHE 97 0.931 17.482 -25.494 748 HD2 PHE 97 2HD PHE 97 -0.474 14.650 -28.344 749 HE1 PHE 97 1HE PHE 97 3.252 16.816 -25.972 750 HE2 PHE 97 2HE PHE 97 1.844 13.980 -28.826 751 HZ PHE 97 HZ PHE 97 3.711 15.063 -27.639 752 H LYS 98 H LYS 98 -3.769 15.214 -27.152 753 HA LYS 98 HA LYS 98 -3.390 12.298 -26.936 754 HB2 LYS 98 1HB LYS 98 -5.905 13.918 -27.295 755 HB3 LYS 98 2HB LYS 98 -5.836 12.207 -27.699 756 HG2 LYS 98 1HG LYS 98 -5.150 11.731 -25.369 757 HG3 LYS 98 2HG LYS 98 -5.364 13.442 -24.993 758 HD2 LYS 98 1HD LYS 98 -7.364 12.392 -24.320 759 HD3 LYS 98 2HD LYS 98 -7.740 13.182 -25.853 760 HE2 LYS 98 1HE LYS 98 -8.698 11.067 -26.066 761 HE3 LYS 98 2HE LYS 98 -7.166 10.922 -26.927 762 HZ1 LYS 98 1HZ LYS 98 -7.604 9.023 -25.472 763 HZ2 LYS 98 2HZ LYS 98 -7.636 10.048 -24.127 764 HZ3 LYS 98 3HZ LYS 98 -6.204 9.853 -25.008 765 H SER 99 H SER 99 -3.978 11.078 -28.897 766 HA SER 99 HA SER 99 -2.728 12.221 -31.194 767 HB2 SER 99 1HB SER 99 -2.665 9.775 -30.519 768 HB3 SER 99 2HB SER 99 -4.322 9.654 -31.110 769 HG SER 99 HG SER 99 -3.406 9.318 -32.968 770 H GLY 100 H GLY 100 -6.033 10.968 -30.665 771 HA2 GLY 100 1HA GLY 100 -7.645 12.887 -31.482 772 HA3 GLY 100 2HA GLY 100 -6.936 12.439 -33.026 773 HA PRO 101 HA PRO 101 -10.640 9.708 -31.805 774 HB2 PRO 101 1HB PRO 101 -12.487 10.778 -33.483 775 HB3 PRO 101 2HB PRO 101 -12.254 11.342 -31.824 776 HG2 PRO 101 1HG PRO 101 -11.230 12.509 -34.383 777 HG3 PRO 101 2HG PRO 101 -11.932 13.335 -32.979 778 HD2 PRO 101 1HD PRO 101 -9.262 13.216 -33.416 779 HD3 PRO 101 2HD PRO 101 -9.963 13.245 -31.784 780 H SER 102 H SER 102 -9.639 11.063 -34.924 781 HA SER 102 HA SER 102 -10.622 9.175 -36.661 782 HB2 SER 102 1HB SER 102 -8.851 9.815 -38.192 783 HB3 SER 102 2HB SER 102 -9.399 11.247 -37.320 784 HG SER 102 HG SER 102 -7.563 11.261 -36.155 785 H SER 103 H SER 103 -10.498 7.040 -36.532 786 HA SER 103 HA SER 103 -9.737 4.967 -35.846 787 HB2 SER 103 1HB SER 103 -7.912 4.217 -37.237 788 HB3 SER 103 2HB SER 103 -8.891 5.345 -38.175 789 HG SER 103 HG SER 103 -6.406 5.531 -38.009 790 H GLY 104 H GLY 104 -9.321 6.636 -33.738 791 HA2 GLY 104 1HA GLY 104 -6.788 5.594 -32.673 792 HA3 GLY 104 2HA GLY 104 -7.123 7.314 -32.537 Start of MODEL 20 1 H1 GLY 1 H GLY 1 14.160 -0.020 -13.051 2 HA2 GLY 1 1HA GLY 1 16.193 -1.232 -13.390 3 HA3 GLY 1 2HA GLY 1 16.022 -1.904 -11.775 4 H SER 2 H SER 2 16.601 -3.783 -13.383 5 HA SER 2 HA SER 2 14.052 -5.062 -14.125 6 HB2 SER 2 1HB SER 2 15.385 -4.392 -16.124 7 HB3 SER 2 2HB SER 2 16.696 -5.425 -15.556 8 HG SER 2 HG SER 2 14.149 -6.546 -15.799 9 H SER 3 H SER 3 13.838 -6.263 -12.272 10 HA SER 3 HA SER 3 15.474 -8.622 -12.093 11 HB2 SER 3 1HB SER 3 15.553 -6.526 -9.923 12 HB3 SER 3 2HB SER 3 15.948 -8.217 -9.614 13 HG SER 3 HG SER 3 17.797 -7.957 -10.589 14 H GLY 4 H GLY 4 14.708 -10.010 -10.173 15 HA2 GLY 4 1HA GLY 4 12.873 -10.450 -8.629 16 HA3 GLY 4 2HA GLY 4 11.822 -9.569 -9.729 17 H SER 5 H SER 5 12.070 -12.462 -8.608 18 HA SER 5 HA SER 5 11.077 -13.714 -11.014 19 HB2 SER 5 1HB SER 5 13.702 -14.484 -9.779 20 HB3 SER 5 2HB SER 5 12.708 -15.707 -10.568 21 HG SER 5 HG SER 5 12.683 -14.093 -12.380 22 H SER 6 H SER 6 9.898 -15.616 -10.615 23 HA SER 6 HA SER 6 8.424 -15.727 -8.299 24 HB2 SER 6 1HB SER 6 9.081 -18.074 -10.098 25 HB3 SER 6 2HB SER 6 7.704 -17.957 -9.002 26 HG SER 6 HG SER 6 6.707 -17.050 -10.601 27 H GLY 7 H GLY 7 8.348 -17.321 -6.575 28 HA2 GLY 7 1HA GLY 7 10.859 -18.697 -5.986 29 HA3 GLY 7 2HA GLY 7 10.346 -17.454 -4.855 30 H LYS 8 H LYS 8 10.550 -19.551 -3.518 31 HA LYS 8 HA LYS 8 7.901 -20.841 -3.455 32 HB2 LYS 8 1HB LYS 8 9.087 -22.814 -2.428 33 HB3 LYS 8 2HB LYS 8 9.450 -22.522 -4.124 34 HG2 LYS 8 1HG LYS 8 11.233 -21.343 -2.053 35 HG3 LYS 8 2HG LYS 8 11.350 -23.068 -2.407 36 HD2 LYS 8 1HD LYS 8 12.132 -22.717 -4.530 37 HD3 LYS 8 2HD LYS 8 11.308 -21.165 -4.694 38 HE2 LYS 8 1HE LYS 8 12.928 -20.179 -3.114 39 HE3 LYS 8 2HE LYS 8 13.772 -21.725 -3.044 40 HZ1 LYS 8 1HZ LYS 8 14.882 -21.180 -4.862 41 HZ2 LYS 8 2HZ LYS 8 14.120 -19.670 -4.890 42 HZ3 LYS 8 3HZ LYS 8 13.447 -20.973 -5.733 43 H GLU 9 H GLU 9 7.183 -21.539 -1.322 44 HA GLU 9 HA GLU 9 8.500 -20.676 1.044 45 HB2 GLU 9 1HB GLU 9 7.143 -18.843 1.707 46 HB3 GLU 9 2HB GLU 9 7.677 -18.494 0.069 47 HG2 GLU 9 1HG GLU 9 5.051 -19.836 0.506 48 HG3 GLU 9 2HG GLU 9 5.203 -18.098 0.760 49 H ALA 10 H ALA 10 7.424 -21.333 2.941 50 HA ALA 10 HA ALA 10 4.788 -22.392 2.943 51 HB1 ALA 10 1HB ALA 10 5.903 -24.158 1.633 52 HB2 ALA 10 2HB ALA 10 7.004 -24.439 2.983 53 HB3 ALA 10 3HB ALA 10 5.277 -24.750 3.172 54 H LEU 11 H LEU 11 4.172 -21.846 4.922 55 HA LEU 11 HA LEU 11 5.584 -22.815 7.230 56 HB2 LEU 11 1HB LEU 11 6.846 -20.784 6.764 57 HB3 LEU 11 2HB LEU 11 5.354 -19.847 6.758 58 HG LEU 11 HG LEU 11 6.207 -21.349 9.208 59 HD11 LEU 11 1HD1 LEU 11 7.043 -18.880 9.785 60 HD12 LEU 11 2HD1 LEU 11 7.405 -18.901 8.059 61 HD13 LEU 11 3HD1 LEU 11 8.107 -20.121 9.122 62 HD21 LEU 11 1HD2 LEU 11 4.089 -19.552 8.460 63 HD22 LEU 11 2HD2 LEU 11 5.026 -18.882 9.796 64 HD23 LEU 11 3HD2 LEU 11 4.299 -20.482 9.943 65 H GLU 12 H GLU 12 4.287 -22.944 9.030 66 HA GLU 12 HA GLU 12 1.590 -21.790 8.817 67 HB2 GLU 12 1HB GLU 12 0.674 -23.875 9.794 68 HB3 GLU 12 2HB GLU 12 1.394 -24.122 8.209 69 HG2 GLU 12 1HG GLU 12 3.505 -24.802 9.521 70 HG3 GLU 12 2HG GLU 12 2.408 -24.967 10.891 71 H ALA 13 H ALA 13 1.580 -20.295 10.376 72 HA ALA 13 HA ALA 13 2.435 -21.122 13.072 73 HB1 ALA 13 1HB ALA 13 2.651 -18.366 13.053 74 HB2 ALA 13 2HB ALA 13 3.981 -19.522 12.958 75 HB3 ALA 13 3HB ALA 13 3.288 -18.851 11.481 76 H LEU 14 H LEU 14 1.071 -20.683 14.734 77 HA LEU 14 HA LEU 14 -1.636 -20.005 14.095 78 HB2 LEU 14 1HB LEU 14 -2.166 -20.639 16.255 79 HB3 LEU 14 2HB LEU 14 -0.760 -21.634 15.883 80 HG LEU 14 HG LEU 14 0.528 -19.671 17.084 81 HD11 LEU 14 1HD1 LEU 14 -2.305 -19.388 18.020 82 HD12 LEU 14 2HD1 LEU 14 -1.167 -18.136 17.525 83 HD13 LEU 14 3HD1 LEU 14 -0.946 -18.970 19.063 84 HD21 LEU 14 1HD2 LEU 14 -0.503 -22.207 17.850 85 HD22 LEU 14 2HD2 LEU 14 -0.620 -21.118 19.232 86 HD23 LEU 14 3HD2 LEU 14 0.935 -21.375 18.441 87 H VAL 15 H VAL 15 1.055 -18.383 15.684 88 HA VAL 15 HA VAL 15 -0.570 -16.058 16.315 89 HB VAL 15 HB VAL 15 2.381 -16.568 16.718 90 HG11 VAL 15 1HG1 VAL 15 2.656 -14.479 17.500 91 HG12 VAL 15 2HG1 VAL 15 1.233 -14.118 16.519 92 HG13 VAL 15 3HG1 VAL 15 1.058 -14.437 18.245 93 HG21 VAL 15 1HG2 VAL 15 0.017 -16.677 18.583 94 HG22 VAL 15 2HG2 VAL 15 1.100 -17.997 18.137 95 HG23 VAL 15 3HG2 VAL 15 1.695 -16.664 19.127 96 HA PRO 16 HA PRO 16 0.298 -14.036 12.477 97 HB2 PRO 16 1HB PRO 16 -0.538 -11.555 13.197 98 HB3 PRO 16 2HB PRO 16 -1.654 -12.877 12.834 99 HG2 PRO 16 1HG PRO 16 -0.719 -11.863 15.491 100 HG3 PRO 16 2HG PRO 16 -2.350 -12.337 14.986 101 HD2 PRO 16 1HD PRO 16 -0.746 -13.963 16.439 102 HD3 PRO 16 2HD PRO 16 -1.919 -14.585 15.261 103 H VAL 17 H VAL 17 1.353 -11.867 11.808 104 HA VAL 17 HA VAL 17 3.457 -10.994 13.625 105 HB VAL 17 HB VAL 17 5.104 -11.232 11.629 106 HG11 VAL 17 1HG1 VAL 17 5.251 -12.396 13.813 107 HG12 VAL 17 2HG1 VAL 17 4.269 -13.701 13.145 108 HG13 VAL 17 3HG1 VAL 17 5.860 -13.357 12.467 109 HG21 VAL 17 1HG2 VAL 17 2.894 -12.278 10.397 110 HG22 VAL 17 2HG2 VAL 17 4.562 -12.518 9.877 111 HG23 VAL 17 3HG2 VAL 17 3.772 -13.726 10.891 112 H THR 18 H THR 18 4.713 -9.154 12.685 113 HA THR 18 HA THR 18 2.911 -7.465 11.090 114 HB THR 18 HB THR 18 5.216 -6.580 12.835 115 HG1 THR 18 1HG THR 18 2.494 -7.039 13.363 116 HG21 THR 18 1HG2 THR 18 4.517 -4.384 12.469 117 HG22 THR 18 2HG2 THR 18 2.930 -4.885 11.884 118 HG23 THR 18 3HG2 THR 18 4.358 -5.126 10.878 119 H ILE 19 H ILE 19 3.577 -6.503 9.227 120 HA ILE 19 HA ILE 19 6.302 -7.152 8.306 121 HB ILE 19 HB ILE 19 5.402 -7.137 5.999 122 HG12 ILE 19 1HG1 ILE 19 2.650 -7.255 7.215 123 HG13 ILE 19 2HG1 ILE 19 3.367 -5.726 6.719 124 HG21 ILE 19 1HG2 ILE 19 5.599 -9.198 7.514 125 HG22 ILE 19 2HG2 ILE 19 3.841 -9.121 7.616 126 HG23 ILE 19 3HG2 ILE 19 4.625 -9.337 6.051 127 HD11 ILE 19 1HD1 ILE 19 3.077 -8.065 4.861 128 HD12 ILE 19 2HD1 ILE 19 1.838 -6.825 5.058 129 HD13 ILE 19 3HD1 ILE 19 3.436 -6.386 4.458 130 H GLU 20 H GLU 20 6.708 -5.662 6.209 131 HA GLU 20 HA GLU 20 5.970 -2.903 6.899 132 HB2 GLU 20 1HB GLU 20 8.697 -4.080 6.623 133 HB3 GLU 20 2HB GLU 20 8.440 -2.439 6.046 134 HG2 GLU 20 1HG GLU 20 7.643 -1.778 8.252 135 HG3 GLU 20 2HG GLU 20 7.877 -3.426 8.834 136 H VAL 21 H VAL 21 5.278 -1.746 5.219 137 HA VAL 21 HA VAL 21 5.862 -2.751 2.508 138 HB VAL 21 HB VAL 21 3.408 -1.160 3.215 139 HG11 VAL 21 1HG1 VAL 21 4.278 -2.842 0.884 140 HG12 VAL 21 2HG1 VAL 21 2.583 -2.430 1.156 141 HG13 VAL 21 3HG1 VAL 21 3.773 -1.152 0.899 142 HG21 VAL 21 1HG2 VAL 21 2.949 -2.965 4.544 143 HG22 VAL 21 2HG2 VAL 21 2.346 -3.566 2.999 144 HG23 VAL 21 3HG2 VAL 21 3.934 -4.066 3.581 145 H GLU 22 H GLU 22 6.649 -1.352 1.034 146 HA GLU 22 HA GLU 22 7.489 1.250 1.958 147 HB2 GLU 22 1HB GLU 22 7.954 -0.358 -0.534 148 HB3 GLU 22 2HB GLU 22 8.385 1.345 -0.482 149 HG2 GLU 22 1HG GLU 22 10.049 1.017 1.078 150 HG3 GLU 22 2HG GLU 22 9.350 -0.493 1.658 151 H VAL 23 H VAL 23 5.859 2.693 2.090 152 HA VAL 23 HA VAL 23 4.515 3.407 -0.412 153 HB VAL 23 HB VAL 23 3.070 2.989 2.208 154 HG11 VAL 23 1HG1 VAL 23 1.285 4.118 1.421 155 HG12 VAL 23 2HG1 VAL 23 2.491 4.930 0.422 156 HG13 VAL 23 3HG1 VAL 23 1.551 3.592 -0.240 157 HG21 VAL 23 1HG2 VAL 23 2.953 0.887 1.431 158 HG22 VAL 23 2HG2 VAL 23 1.752 1.537 0.313 159 HG23 VAL 23 3HG2 VAL 23 3.430 1.359 -0.200 160 HA PRO 24 HA PRO 24 5.764 7.434 0.926 161 HB2 PRO 24 1HB PRO 24 4.366 8.859 -0.914 162 HB3 PRO 24 2HB PRO 24 5.844 7.972 -1.305 163 HG2 PRO 24 1HG PRO 24 2.988 7.181 -1.733 164 HG3 PRO 24 2HG PRO 24 4.373 7.005 -2.825 165 HD2 PRO 24 1HD PRO 24 3.419 4.951 -1.340 166 HD3 PRO 24 2HD PRO 24 5.138 5.112 -1.755 167 H PHE 25 H PHE 25 5.006 8.924 2.333 168 HA PHE 25 HA PHE 25 2.554 8.562 3.631 169 HB2 PHE 25 1HB PHE 25 4.505 9.673 4.661 170 HB3 PHE 25 2HB PHE 25 4.284 11.045 3.578 171 HD1 PHE 25 1HD PHE 25 1.875 12.117 3.656 172 HD2 PHE 25 2HD PHE 25 3.603 9.782 6.767 173 HE1 PHE 25 1HE PHE 25 0.340 13.149 5.277 174 HE2 PHE 25 2HE PHE 25 2.070 10.809 8.394 175 HZ PHE 25 HZ PHE 25 0.435 12.495 7.650 176 H ASP 26 H ASP 26 3.423 10.461 0.854 177 HA ASP 26 HA ASP 26 1.272 12.267 0.829 178 HB2 ASP 26 1HB ASP 26 1.722 12.298 -1.691 179 HB3 ASP 26 2HB ASP 26 3.060 12.742 -0.635 180 H LEU 27 H LEU 27 1.516 8.919 -0.107 181 HA LEU 27 HA LEU 27 -1.051 8.929 -1.454 182 HB2 LEU 27 1HB LEU 27 0.980 6.801 -0.851 183 HB3 LEU 27 2HB LEU 27 -0.603 6.415 -1.521 184 HG LEU 27 HG LEU 27 1.558 8.074 -2.816 185 HD11 LEU 27 1HD1 LEU 27 0.516 5.811 -4.284 186 HD12 LEU 27 2HD1 LEU 27 1.191 5.325 -2.729 187 HD13 LEU 27 3HD1 LEU 27 2.183 6.224 -3.877 188 HD21 LEU 27 1HD2 LEU 27 -1.319 7.642 -3.504 189 HD22 LEU 27 2HD2 LEU 27 -0.126 7.861 -4.785 190 HD23 LEU 27 3HD2 LEU 27 -0.358 9.120 -3.571 191 H HIS 28 H HIS 28 0.231 8.278 1.687 192 HA HIS 28 HA HIS 28 -1.545 6.510 2.796 193 HB2 HIS 28 1HB HIS 28 -0.300 8.979 4.009 194 HB3 HIS 28 2HB HIS 28 -1.197 7.790 4.949 195 HD2 HIS 28 2HD HIS 28 0.986 6.086 2.336 196 HE1 HIS 28 1HE HIS 28 3.186 6.070 5.963 197 HE2 HIS 28 2HE HIS 28 3.087 5.242 3.586 198 H ARG 29 H ARG 29 -1.964 10.033 2.525 199 HA ARG 29 HA ARG 29 -4.457 10.229 3.741 200 HB2 ARG 29 1HB ARG 29 -4.733 12.307 2.366 201 HB3 ARG 29 2HB ARG 29 -3.219 12.218 3.256 202 HG2 ARG 29 1HG ARG 29 -2.012 11.638 1.270 203 HG3 ARG 29 2HG ARG 29 -3.511 11.498 0.350 204 HD2 ARG 29 1HD ARG 29 -2.519 13.603 -0.185 205 HD3 ARG 29 2HD ARG 29 -3.936 13.912 0.818 206 HE ARG 29 HE ARG 29 -1.855 13.792 2.583 207 HH11 ARG 29 1HH1 ARG 29 -2.572 15.660 -0.266 208 HH12 ARG 29 2HH1 ARG 29 -1.681 17.049 0.262 209 HH21 ARG 29 1HH2 ARG 29 -0.679 15.614 3.290 210 HH22 ARG 29 2HH2 ARG 29 -0.604 17.022 2.284 211 H TYR 30 H TYR 30 -3.585 9.022 0.618 212 HA TYR 30 HA TYR 30 -6.330 9.102 -0.353 213 HB2 TYR 30 1HB TYR 30 -3.884 7.941 -1.698 214 HB3 TYR 30 2HB TYR 30 -5.436 8.293 -2.450 215 HD1 TYR 30 2HD TYR 30 -5.878 10.996 -1.108 216 HD2 TYR 30 1HD TYR 30 -2.503 9.301 -3.066 217 HE1 TYR 30 2HE TYR 30 -5.088 13.252 -1.688 218 HE2 TYR 30 1HE TYR 30 -1.703 11.553 -3.650 219 HH TYR 30 HH TYR 30 -3.144 14.413 -2.331 220 H VAL 31 H VAL 31 -3.994 6.845 0.926 221 HA VAL 31 HA VAL 31 -5.411 4.475 0.200 222 HB VAL 31 HB VAL 31 -3.296 4.914 2.311 223 HG11 VAL 31 1HG1 VAL 31 -3.081 2.319 1.766 224 HG12 VAL 31 2HG1 VAL 31 -4.143 2.931 3.036 225 HG13 VAL 31 3HG1 VAL 31 -4.807 2.510 1.457 226 HG21 VAL 31 1HG2 VAL 31 -3.078 3.753 -0.466 227 HG22 VAL 31 2HG2 VAL 31 -2.574 5.378 0.000 228 HG23 VAL 31 3HG2 VAL 31 -1.761 3.973 0.687 229 H ILE 32 H ILE 32 -5.021 6.224 3.280 230 HA ILE 32 HA ILE 32 -6.696 4.618 4.827 231 HB ILE 32 HB ILE 32 -6.279 7.593 5.141 232 HG12 ILE 32 1HG1 ILE 32 -4.724 5.391 6.495 233 HG13 ILE 32 2HG1 ILE 32 -4.191 6.124 4.986 234 HG21 ILE 32 1HG2 ILE 32 -6.591 6.887 7.606 235 HG22 ILE 32 2HG2 ILE 32 -8.015 7.044 6.578 236 HG23 ILE 32 3HG2 ILE 32 -7.354 5.448 6.930 237 HD11 ILE 32 1HD1 ILE 32 -4.661 7.605 7.563 238 HD12 ILE 32 2HD1 ILE 32 -3.091 7.096 6.942 239 HD13 ILE 32 3HD1 ILE 32 -4.045 8.286 6.058 240 H GLY 33 H GLY 33 -7.482 7.703 3.208 241 HA2 GLY 33 1HA GLY 33 -9.496 8.065 1.996 242 HA3 GLY 33 2HA GLY 33 -10.236 6.743 2.887 243 H GLN 34 H GLN 34 -11.799 8.804 2.759 244 HA GLN 34 HA GLN 34 -11.380 10.855 4.669 245 HB2 GLN 34 1HB GLN 34 -12.923 11.240 2.876 246 HB3 GLN 34 2HB GLN 34 -13.879 9.833 3.322 247 HG2 GLN 34 1HG GLN 34 -15.150 11.551 4.150 248 HG3 GLN 34 2HG GLN 34 -14.209 11.085 5.567 249 HE21 GLN 34 1HE2 GLN 34 -14.111 13.297 2.800 250 HE22 GLN 34 2HE2 GLN 34 -13.393 14.614 3.658 251 H LYS 35 H LYS 35 -13.579 8.046 4.740 252 HA LYS 35 HA LYS 35 -13.542 8.211 7.681 253 HB2 LYS 35 1HB LYS 35 -15.639 7.169 5.778 254 HB3 LYS 35 2HB LYS 35 -15.682 6.850 7.507 255 HG2 LYS 35 1HG LYS 35 -15.897 9.185 7.995 256 HG3 LYS 35 2HG LYS 35 -15.648 9.608 6.300 257 HD2 LYS 35 1HD LYS 35 -17.949 9.733 6.499 258 HD3 LYS 35 2HD LYS 35 -17.721 8.091 5.891 259 HE2 LYS 35 1HE LYS 35 -17.707 7.383 8.351 260 HE3 LYS 35 2HE LYS 35 -18.354 8.988 8.688 261 HZ1 LYS 35 1HZ LYS 35 -19.644 7.270 6.674 262 HZ2 LYS 35 2HZ LYS 35 -20.312 8.522 7.592 263 HZ3 LYS 35 3HZ LYS 35 -19.968 7.033 8.317 264 H GLY 36 H GLY 36 -11.390 6.990 6.537 265 HA2 GLY 36 1HA GLY 36 -10.247 4.991 6.326 266 HA3 GLY 36 2HA GLY 36 -11.084 4.629 7.828 267 H SER 37 H SER 37 -12.461 5.013 4.590 268 HA SER 37 HA SER 37 -13.691 2.378 4.868 269 HB2 SER 37 1HB SER 37 -14.845 3.213 2.661 270 HB3 SER 37 2HB SER 37 -15.340 3.879 4.218 271 HG SER 37 HG SER 37 -13.375 5.069 2.557 272 H GLY 38 H GLY 38 -11.266 4.051 3.033 273 HA2 GLY 38 1HA GLY 38 -11.118 2.257 0.837 274 HA3 GLY 38 2HA GLY 38 -9.864 3.382 1.339 275 H ILE 39 H ILE 39 -9.339 2.439 3.902 276 HA ILE 39 HA ILE 39 -7.777 0.095 3.257 277 HB ILE 39 HB ILE 39 -7.962 1.799 5.735 278 HG12 ILE 39 1HG1 ILE 39 -5.761 1.343 3.708 279 HG13 ILE 39 2HG1 ILE 39 -6.767 2.782 3.835 280 HG21 ILE 39 1HG2 ILE 39 -7.483 -0.260 6.679 281 HG22 ILE 39 2HG2 ILE 39 -6.550 -0.797 5.283 282 HG23 ILE 39 3HG2 ILE 39 -5.877 0.406 6.383 283 HD11 ILE 39 1HD1 ILE 39 -5.814 2.861 6.266 284 HD12 ILE 39 2HD1 ILE 39 -4.532 1.870 5.568 285 HD13 ILE 39 3HD1 ILE 39 -4.872 3.470 4.905 286 H ARG 40 H ARG 40 -10.527 0.913 5.301 287 HA ARG 40 HA ARG 40 -10.729 -1.387 6.828 288 HB2 ARG 40 1HB ARG 40 -12.153 0.525 7.237 289 HB3 ARG 40 2HB ARG 40 -12.922 0.338 5.667 290 HG2 ARG 40 1HG ARG 40 -13.629 -1.981 6.527 291 HG3 ARG 40 2HG ARG 40 -13.224 -1.343 8.122 292 HD2 ARG 40 1HD ARG 40 -14.839 0.388 7.933 293 HD3 ARG 40 2HD ARG 40 -15.088 0.056 6.219 294 HE ARG 40 HE ARG 40 -15.738 -2.264 7.584 295 HH11 ARG 40 1HH1 ARG 40 -16.850 1.031 7.430 296 HH12 ARG 40 2HH1 ARG 40 -18.490 0.634 7.824 297 HH21 ARG 40 1HH2 ARG 40 -17.894 -2.800 8.103 298 HH22 ARG 40 2HH2 ARG 40 -19.082 -1.546 8.206 299 H LYS 41 H LYS 41 -11.742 -0.813 3.505 300 HA LYS 41 HA LYS 41 -13.281 -3.088 3.074 301 HB2 LYS 41 1HB LYS 41 -13.242 -1.379 1.408 302 HB3 LYS 41 2HB LYS 41 -11.499 -1.516 1.216 303 HG2 LYS 41 1HG LYS 41 -12.321 -2.595 -0.655 304 HG3 LYS 41 2HG LYS 41 -11.991 -3.927 0.455 305 HD2 LYS 41 1HD LYS 41 -14.497 -3.506 1.161 306 HD3 LYS 41 2HD LYS 41 -14.597 -2.805 -0.456 307 HE2 LYS 41 1HE LYS 41 -13.438 -5.533 0.038 308 HE3 LYS 41 2HE LYS 41 -15.165 -5.281 -0.211 309 HZ1 LYS 41 1HZ LYS 41 -12.960 -5.051 -2.111 310 HZ2 LYS 41 2HZ LYS 41 -14.249 -3.973 -2.294 311 HZ3 LYS 41 3HZ LYS 41 -14.529 -5.641 -2.341 312 H MET 42 H MET 42 -9.786 -2.647 2.535 313 HA MET 42 HA MET 42 -9.284 -5.304 1.742 314 HB2 MET 42 1HB MET 42 -7.291 -3.501 3.106 315 HB3 MET 42 2HB MET 42 -6.972 -4.779 1.941 316 HG2 MET 42 1HG MET 42 -8.500 -3.248 0.412 317 HG3 MET 42 2HG MET 42 -7.909 -2.003 1.512 318 HE1 MET 42 1HE MET 42 -5.382 -2.730 2.411 319 HE2 MET 42 2HE MET 42 -4.724 -4.148 1.594 320 HE3 MET 42 3HE MET 42 -4.069 -2.547 1.248 321 H MET 43 H MET 43 -8.542 -3.711 4.852 322 HA MET 43 HA MET 43 -7.616 -5.780 6.321 323 HB2 MET 43 1HB MET 43 -9.358 -3.460 7.016 324 HB3 MET 43 2HB MET 43 -9.090 -4.694 8.239 325 HG2 MET 43 1HG MET 43 -6.579 -4.343 7.632 326 HG3 MET 43 2HG MET 43 -7.153 -2.802 6.998 327 HE1 MET 43 1HE MET 43 -8.959 -1.237 9.874 328 HE2 MET 43 2HE MET 43 -7.510 -0.543 9.147 329 HE3 MET 43 3HE MET 43 -8.688 -1.381 8.138 330 H ASP 44 H ASP 44 -10.885 -5.355 5.203 331 HA ASP 44 HA ASP 44 -11.883 -7.545 6.838 332 HB2 ASP 44 1HB ASP 44 -13.098 -5.466 5.093 333 HB3 ASP 44 2HB ASP 44 -13.971 -6.987 5.260 334 H GLU 45 H GLU 45 -10.934 -6.883 3.539 335 HA GLU 45 HA GLU 45 -12.026 -9.271 2.423 336 HB2 GLU 45 1HB GLU 45 -11.195 -8.540 0.421 337 HB3 GLU 45 2HB GLU 45 -11.204 -7.016 1.297 338 HG2 GLU 45 1HG GLU 45 -8.846 -7.253 1.795 339 HG3 GLU 45 2HG GLU 45 -8.818 -8.824 0.996 340 H PHE 46 H PHE 46 -8.749 -8.293 3.397 341 HA PHE 46 HA PHE 46 -7.772 -11.002 2.992 342 HB2 PHE 46 1HB PHE 46 -6.313 -8.550 3.999 343 HB3 PHE 46 2HB PHE 46 -5.574 -10.078 3.534 344 HD1 PHE 46 1HD PHE 46 -5.836 -10.838 1.119 345 HD2 PHE 46 2HD PHE 46 -6.668 -6.874 2.427 346 HE1 PHE 46 1HE PHE 46 -5.627 -10.033 -1.197 347 HE2 PHE 46 2HE PHE 46 -6.461 -6.064 0.113 348 HZ PHE 46 HZ PHE 46 -5.941 -7.643 -1.703 349 H GLU 47 H GLU 47 -9.116 -9.143 5.486 350 HA GLU 47 HA GLU 47 -9.518 -9.568 7.684 351 HB2 GLU 47 1HB GLU 47 -8.324 -12.287 7.117 352 HB3 GLU 47 2HB GLU 47 -9.299 -11.851 8.513 353 HG2 GLU 47 1HG GLU 47 -11.086 -11.221 6.739 354 HG3 GLU 47 2HG GLU 47 -10.131 -12.255 5.678 355 H VAL 48 H VAL 48 -7.195 -8.201 7.031 356 HA VAL 48 HA VAL 48 -5.340 -9.131 9.126 357 HB VAL 48 HB VAL 48 -3.535 -7.939 7.855 358 HG11 VAL 48 1HG1 VAL 48 -4.695 -10.483 7.401 359 HG12 VAL 48 2HG1 VAL 48 -4.150 -9.854 5.846 360 HG13 VAL 48 3HG1 VAL 48 -3.016 -9.991 7.190 361 HG21 VAL 48 1HG2 VAL 48 -4.062 -7.704 5.357 362 HG22 VAL 48 2HG2 VAL 48 -5.756 -7.701 5.849 363 HG23 VAL 48 3HG2 VAL 48 -4.662 -6.452 6.445 364 H ASN 49 H ASN 49 -3.754 -7.056 9.524 365 HA ASN 49 HA ASN 49 -5.530 -4.771 10.069 366 HB2 ASN 49 1HB ASN 49 -3.492 -6.055 11.889 367 HB3 ASN 49 2HB ASN 49 -4.133 -4.439 12.170 368 HD21 ASN 49 1HD2 ASN 49 -4.542 -6.053 14.153 369 HD22 ASN 49 2HD2 ASN 49 -6.162 -6.651 14.209 370 H ILE 50 H ILE 50 -4.847 -2.941 9.188 371 HA ILE 50 HA ILE 50 -1.994 -2.696 8.496 372 HB ILE 50 HB ILE 50 -4.380 -1.378 7.193 373 HG12 ILE 50 1HG1 ILE 50 -2.446 -3.441 6.116 374 HG13 ILE 50 2HG1 ILE 50 -4.078 -3.791 6.676 375 HG21 ILE 50 1HG2 ILE 50 -2.499 0.129 7.174 376 HG22 ILE 50 2HG2 ILE 50 -1.437 -1.149 6.586 377 HG23 ILE 50 3HG2 ILE 50 -2.729 -0.534 5.556 378 HD11 ILE 50 1HD1 ILE 50 -4.859 -2.127 4.920 379 HD12 ILE 50 2HD1 ILE 50 -3.224 -2.234 4.265 380 HD13 ILE 50 3HD1 ILE 50 -4.236 -3.676 4.351 381 H HIS 51 H HIS 51 -0.843 -1.084 9.355 382 HA HIS 51 HA HIS 51 -2.294 1.089 10.716 383 HB2 HIS 51 1HB HIS 51 -0.075 -0.652 11.673 384 HB3 HIS 51 2HB HIS 51 -0.050 1.040 12.161 385 HD1 HIS 51 1HD HIS 51 -1.306 1.541 14.230 386 HD2 HIS 51 2HD HIS 51 -2.697 -1.907 12.375 387 HE1 HIS 51 1HE HIS 51 -3.066 0.612 15.767 388 H VAL 52 H VAL 52 -1.751 3.092 10.132 389 HA VAL 52 HA VAL 52 0.623 3.432 8.427 390 HB VAL 52 HB VAL 52 -1.854 5.148 8.631 391 HG11 VAL 52 1HG1 VAL 52 -0.949 6.614 7.087 392 HG12 VAL 52 2HG1 VAL 52 0.445 6.235 8.099 393 HG13 VAL 52 3HG1 VAL 52 0.253 5.449 6.531 394 HG21 VAL 52 1HG2 VAL 52 -1.375 2.772 7.208 395 HG22 VAL 52 2HG2 VAL 52 -2.744 3.871 7.045 396 HG23 VAL 52 3HG2 VAL 52 -1.320 4.081 6.026 397 HA PRO 53 HA PRO 53 2.533 5.829 11.599 398 HB2 PRO 53 1HB PRO 53 4.369 7.111 10.065 399 HB3 PRO 53 2HB PRO 53 4.510 5.406 10.508 400 HG2 PRO 53 1HG PRO 53 3.516 6.625 7.961 401 HG3 PRO 53 2HG PRO 53 4.587 5.231 8.190 402 HD2 PRO 53 1HD PRO 53 1.949 4.967 7.635 403 HD3 PRO 53 2HD PRO 53 2.835 3.801 8.639 404 H ALA 54 H ALA 54 2.026 7.714 12.530 405 HA ALA 54 HA ALA 54 0.284 9.567 11.360 406 HB1 ALA 54 1HB ALA 54 1.391 9.125 13.900 407 HB2 ALA 54 2HB ALA 54 1.780 10.793 13.475 408 HB3 ALA 54 3HB ALA 54 0.103 10.247 13.464 409 HA PRO 55 HA PRO 55 2.741 12.505 9.216 410 HB2 PRO 55 1HB PRO 55 1.850 14.905 10.123 411 HB3 PRO 55 2HB PRO 55 0.892 13.861 9.067 412 HG2 PRO 55 1HG PRO 55 0.738 14.204 12.036 413 HG3 PRO 55 2HG PRO 55 -0.578 14.088 10.853 414 HD2 PRO 55 1HD PRO 55 0.192 11.992 12.386 415 HD3 PRO 55 2HD PRO 55 -0.443 11.790 10.740 416 H GLU 56 H GLU 56 2.699 12.808 12.708 417 HA GLU 56 HA GLU 56 4.886 14.628 12.891 418 HB2 GLU 56 1HB GLU 56 4.687 14.423 15.191 419 HB3 GLU 56 2HB GLU 56 3.059 14.038 14.651 420 HG2 GLU 56 1HG GLU 56 3.950 11.583 14.677 421 HG3 GLU 56 2HG GLU 56 5.157 12.250 15.774 422 H LEU 57 H LEU 57 4.663 11.317 12.199 423 HA LEU 57 HA LEU 57 7.367 10.732 13.133 424 HB2 LEU 57 1HB LEU 57 5.313 8.962 11.817 425 HB3 LEU 57 2HB LEU 57 6.879 8.429 12.423 426 HG LEU 57 HG LEU 57 4.790 9.658 14.207 427 HD11 LEU 57 1HD1 LEU 57 3.593 7.791 14.211 428 HD12 LEU 57 2HD1 LEU 57 5.033 6.818 14.511 429 HD13 LEU 57 3HD1 LEU 57 4.563 7.209 12.857 430 HD21 LEU 57 1HD2 LEU 57 7.445 8.410 14.541 431 HD22 LEU 57 2HD2 LEU 57 6.217 7.970 15.729 432 HD23 LEU 57 3HD2 LEU 57 6.649 9.664 15.492 433 H GLN 58 H GLN 58 5.596 11.405 10.228 434 HA GLN 58 HA GLN 58 6.191 11.538 8.030 435 HB2 GLN 58 1HB GLN 58 8.966 12.132 9.039 436 HB3 GLN 58 2HB GLN 58 8.189 12.735 7.582 437 HG2 GLN 58 1HG GLN 58 6.787 14.180 8.806 438 HG3 GLN 58 2HG GLN 58 7.194 13.401 10.334 439 HE21 GLN 58 1HE2 GLN 58 7.791 16.004 8.379 440 HE22 GLN 58 2HE2 GLN 58 9.291 16.525 9.059 441 H SER 59 H SER 59 6.035 8.979 8.606 442 HA SER 59 HA SER 59 8.509 7.745 7.593 443 HB2 SER 59 1HB SER 59 7.514 7.054 9.882 444 HB3 SER 59 2HB SER 59 6.287 6.219 8.932 445 HG SER 59 HG SER 59 8.234 5.282 7.812 446 H ASP 60 H ASP 60 8.452 6.450 5.808 447 HA ASP 60 HA ASP 60 5.935 6.467 4.291 448 HB2 ASP 60 1HB ASP 60 8.643 5.854 3.130 449 HB3 ASP 60 2HB ASP 60 7.195 6.420 2.302 450 H ILE 61 H ILE 61 6.951 4.524 6.415 451 HA ILE 61 HA ILE 61 6.689 2.074 4.795 452 HB ILE 61 HB ILE 61 7.940 2.110 7.525 453 HG12 ILE 61 1HG1 ILE 61 9.163 3.718 6.073 454 HG13 ILE 61 2HG1 ILE 61 10.135 2.319 6.518 455 HG21 ILE 61 1HG2 ILE 61 7.612 -0.081 7.016 456 HG22 ILE 61 2HG2 ILE 61 7.669 0.200 5.276 457 HG23 ILE 61 3HG2 ILE 61 9.164 0.148 6.211 458 HD11 ILE 61 1HD1 ILE 61 9.025 3.099 3.877 459 HD12 ILE 61 2HD1 ILE 61 10.626 2.491 4.299 460 HD13 ILE 61 3HD1 ILE 61 9.253 1.387 4.232 461 H ILE 62 H ILE 62 4.751 1.190 5.016 462 HA ILE 62 HA ILE 62 3.185 1.683 7.426 463 HB ILE 62 HB ILE 62 2.496 0.510 4.742 464 HG12 ILE 62 1HG1 ILE 62 1.391 2.881 6.263 465 HG13 ILE 62 2HG1 ILE 62 2.605 2.981 4.992 466 HG21 ILE 62 1HG2 ILE 62 1.013 -0.791 5.801 467 HG22 ILE 62 2HG2 ILE 62 1.176 0.094 7.317 468 HG23 ILE 62 3HG2 ILE 62 0.108 0.701 6.052 469 HD11 ILE 62 1HD1 ILE 62 -0.137 3.143 4.688 470 HD12 ILE 62 2HD1 ILE 62 1.058 2.935 3.408 471 HD13 ILE 62 3HD1 ILE 62 0.271 1.525 4.117 472 H ALA 63 H ALA 63 2.629 0.157 8.893 473 HA ALA 63 HA ALA 63 3.910 -2.468 8.610 474 HB1 ALA 63 1HB ALA 63 3.710 -2.659 11.021 475 HB2 ALA 63 2HB ALA 63 4.509 -1.148 10.589 476 HB3 ALA 63 3HB ALA 63 2.817 -1.140 11.086 477 H ILE 64 H ILE 64 2.754 -4.286 8.417 478 HA ILE 64 HA ILE 64 -0.151 -4.140 8.896 479 HB ILE 64 HB ILE 64 1.192 -5.776 6.743 480 HG12 ILE 64 1HG1 ILE 64 -0.473 -3.272 6.425 481 HG13 ILE 64 2HG1 ILE 64 1.286 -3.299 6.356 482 HG21 ILE 64 1HG2 ILE 64 -0.820 -6.828 7.453 483 HG22 ILE 64 2HG2 ILE 64 -1.691 -5.294 7.459 484 HG23 ILE 64 3HG2 ILE 64 -1.171 -6.006 5.932 485 HD11 ILE 64 1HD1 ILE 64 0.968 -5.033 4.487 486 HD12 ILE 64 2HD1 ILE 64 -0.691 -4.436 4.429 487 HD13 ILE 64 3HD1 ILE 64 0.653 -3.334 4.134 488 H THR 65 H THR 65 -0.891 -5.551 10.331 489 HA THR 65 HA THR 65 0.848 -7.760 11.161 490 HB THR 65 HB THR 65 -1.636 -6.745 12.550 491 HG1 THR 65 1HG THR 65 1.017 -5.866 12.579 492 HG21 THR 65 1HG2 THR 65 -0.249 -9.091 12.917 493 HG22 THR 65 2HG2 THR 65 -1.270 -8.305 14.120 494 HG23 THR 65 3HG2 THR 65 0.470 -8.022 14.119 495 H GLY 66 H GLY 66 0.214 -9.881 11.114 496 HA2 GLY 66 1HA GLY 66 -2.190 -11.071 10.977 497 HA3 GLY 66 2HA GLY 66 -1.985 -10.503 9.326 498 H LEU 67 H LEU 67 -2.283 -13.138 9.647 499 HA LEU 67 HA LEU 67 0.043 -14.636 10.129 500 HB2 LEU 67 1HB LEU 67 -2.349 -15.233 8.399 501 HB3 LEU 67 2HB LEU 67 -1.098 -16.408 8.799 502 HG LEU 67 HG LEU 67 -2.823 -15.039 10.857 503 HD11 LEU 67 1HD1 LEU 67 -4.405 -16.276 9.725 504 HD12 LEU 67 2HD1 LEU 67 -3.834 -17.434 10.926 505 HD13 LEU 67 3HD1 LEU 67 -3.251 -17.528 9.265 506 HD21 LEU 67 1HD2 LEU 67 -1.965 -16.614 12.383 507 HD22 LEU 67 2HD2 LEU 67 -0.566 -16.010 11.494 508 HD23 LEU 67 3HD2 LEU 67 -1.249 -17.588 11.100 509 H ALA 68 H ALA 68 1.717 -15.273 8.863 510 HA ALA 68 HA ALA 68 2.768 -13.770 6.889 511 HB1 ALA 68 1HB ALA 68 4.027 -15.758 6.139 512 HB2 ALA 68 2HB ALA 68 3.999 -15.586 7.894 513 HB3 ALA 68 3HB ALA 68 2.956 -16.771 7.107 514 H ALA 69 H ALA 69 0.300 -16.240 6.488 515 HA ALA 69 HA ALA 69 0.345 -16.295 3.650 516 HB1 ALA 69 1HB ALA 69 -0.813 -18.117 4.211 517 HB2 ALA 69 2HB ALA 69 -1.264 -17.453 5.781 518 HB3 ALA 69 3HB ALA 69 -2.207 -17.044 4.348 519 H ASN 70 H ASN 70 -1.737 -14.610 5.991 520 HA ASN 70 HA ASN 70 -3.322 -13.299 4.045 521 HB2 ASN 70 1HB ASN 70 -2.790 -12.433 6.894 522 HB3 ASN 70 2HB ASN 70 -4.148 -11.945 5.885 523 HD21 ASN 70 1HD2 ASN 70 -4.512 -13.061 8.372 524 HD22 ASN 70 2HD2 ASN 70 -5.227 -14.624 8.199 525 H LEU 71 H LEU 71 -0.420 -12.356 5.830 526 HA LEU 71 HA LEU 71 -0.263 -9.685 5.109 527 HB2 LEU 71 1HB LEU 71 2.065 -11.580 5.350 528 HB3 LEU 71 2HB LEU 71 2.101 -9.830 5.548 529 HG LEU 71 HG LEU 71 0.472 -11.568 7.374 530 HD11 LEU 71 1HD1 LEU 71 3.301 -11.632 7.114 531 HD12 LEU 71 2HD1 LEU 71 2.282 -12.434 8.309 532 HD13 LEU 71 3HD1 LEU 71 2.898 -10.812 8.623 533 HD21 LEU 71 1HD2 LEU 71 1.821 -9.143 8.326 534 HD22 LEU 71 2HD2 LEU 71 0.167 -9.700 8.580 535 HD23 LEU 71 3HD2 LEU 71 0.600 -8.870 7.084 536 H ASP 72 H ASP 72 0.641 -12.555 3.291 537 HA ASP 72 HA ASP 72 2.010 -11.246 1.197 538 HB2 ASP 72 1HB ASP 72 0.783 -13.935 1.585 539 HB3 ASP 72 2HB ASP 72 1.161 -13.434 -0.061 540 H ARG 73 H ARG 73 -1.271 -12.656 1.172 541 HA ARG 73 HA ARG 73 -2.089 -11.613 -1.262 542 HB2 ARG 73 1HB ARG 73 -4.419 -11.865 -0.353 543 HB3 ARG 73 2HB ARG 73 -3.411 -13.299 -0.209 544 HG2 ARG 73 1HG ARG 73 -3.003 -12.793 2.137 545 HG3 ARG 73 2HG ARG 73 -3.981 -11.330 1.998 546 HD2 ARG 73 1HD ARG 73 -5.531 -12.783 2.852 547 HD3 ARG 73 2HD ARG 73 -5.796 -13.015 1.124 548 HE ARG 73 HE ARG 73 -3.870 -14.855 1.987 549 HH11 ARG 73 1HH1 ARG 73 -7.261 -14.174 2.377 550 HH12 ARG 73 2HH1 ARG 73 -7.695 -15.828 2.657 551 HH21 ARG 73 1HH2 ARG 73 -4.427 -17.036 2.355 552 HH22 ARG 73 2HH2 ARG 73 -6.082 -17.455 2.646 553 H ALA 74 H ALA 74 -2.443 -10.215 1.984 554 HA ALA 74 HA ALA 74 -3.840 -7.904 1.215 555 HB1 ALA 74 1HB ALA 74 -1.942 -7.847 3.517 556 HB2 ALA 74 2HB ALA 74 -3.566 -7.173 3.380 557 HB3 ALA 74 3HB ALA 74 -3.347 -8.912 3.575 558 H LYS 75 H LYS 75 -0.381 -8.203 2.054 559 HA LYS 75 HA LYS 75 0.463 -5.686 1.377 560 HB2 LYS 75 1HB LYS 75 1.859 -7.486 2.406 561 HB3 LYS 75 2HB LYS 75 2.007 -8.223 0.817 562 HG2 LYS 75 1HG LYS 75 3.052 -6.114 0.008 563 HG3 LYS 75 2HG LYS 75 3.035 -5.528 1.673 564 HD2 LYS 75 1HD LYS 75 4.548 -7.191 2.380 565 HD3 LYS 75 2HD LYS 75 4.323 -8.136 0.907 566 HE2 LYS 75 1HE LYS 75 5.375 -6.306 -0.379 567 HE3 LYS 75 2HE LYS 75 5.666 -5.443 1.131 568 HZ1 LYS 75 1HZ LYS 75 7.394 -7.153 -0.018 569 HZ2 LYS 75 2HZ LYS 75 6.638 -8.158 1.111 570 HZ3 LYS 75 3HZ LYS 75 7.403 -6.739 1.622 571 H ALA 76 H ALA 76 -0.271 -8.365 -0.760 572 HA ALA 76 HA ALA 76 0.876 -7.333 -3.116 573 HB1 ALA 76 1HB ALA 76 -1.401 -8.830 -3.833 574 HB2 ALA 76 2HB ALA 76 0.283 -9.358 -3.800 575 HB3 ALA 76 3HB ALA 76 -0.736 -9.572 -2.377 576 H GLY 77 H GLY 77 -2.299 -6.894 -1.634 577 HA2 GLY 77 1HA GLY 77 -3.456 -5.491 -3.822 578 HA3 GLY 77 2HA GLY 77 -4.055 -5.507 -2.169 579 H LEU 78 H LEU 78 -1.693 -4.458 -0.947 580 HA LEU 78 HA LEU 78 -2.201 -1.682 -1.292 581 HB2 LEU 78 1HB LEU 78 -1.399 -2.976 0.797 582 HB3 LEU 78 2HB LEU 78 0.211 -2.781 0.105 583 HG LEU 78 HG LEU 78 -0.195 -0.298 0.123 584 HD11 LEU 78 1HD1 LEU 78 -2.369 -0.821 2.102 585 HD12 LEU 78 2HD1 LEU 78 -2.747 -0.729 0.382 586 HD13 LEU 78 3HD1 LEU 78 -2.003 0.647 1.195 587 HD21 LEU 78 1HD2 LEU 78 0.804 -0.165 2.138 588 HD22 LEU 78 2HD2 LEU 78 0.832 -1.925 2.014 589 HD23 LEU 78 3HD2 LEU 78 -0.440 -1.126 2.939 590 H LEU 79 H LEU 79 0.667 -3.688 -1.964 591 HA LEU 79 HA LEU 79 2.328 -1.776 -3.033 592 HB2 LEU 79 1HB LEU 79 1.959 -4.676 -3.718 593 HB3 LEU 79 2HB LEU 79 3.202 -3.689 -4.484 594 HG LEU 79 HG LEU 79 2.998 -4.165 -1.512 595 HD11 LEU 79 1HD1 LEU 79 3.944 -5.884 -3.596 596 HD12 LEU 79 2HD1 LEU 79 3.894 -6.162 -1.855 597 HD13 LEU 79 3HD1 LEU 79 5.295 -5.374 -2.582 598 HD21 LEU 79 1HD2 LEU 79 4.141 -2.122 -1.981 599 HD22 LEU 79 2HD2 LEU 79 5.085 -2.878 -3.263 600 HD23 LEU 79 3HD2 LEU 79 5.355 -3.336 -1.581 601 H GLU 80 H GLU 80 -0.110 -3.709 -4.757 602 HA GLU 80 HA GLU 80 0.344 -2.551 -7.291 603 HB2 GLU 80 1HB GLU 80 -2.017 -4.008 -6.113 604 HB3 GLU 80 2HB GLU 80 -2.000 -3.432 -7.774 605 HG2 GLU 80 1HG GLU 80 0.068 -4.780 -8.138 606 HG3 GLU 80 2HG GLU 80 -0.164 -5.461 -6.529 607 H ARG 81 H ARG 81 -1.452 -1.515 -4.518 608 HA ARG 81 HA ARG 81 -3.115 0.368 -5.893 609 HB2 ARG 81 1HB ARG 81 -3.396 -0.743 -3.529 610 HB3 ARG 81 2HB ARG 81 -2.434 0.627 -2.990 611 HG2 ARG 81 1HG ARG 81 -4.521 1.484 -2.713 612 HG3 ARG 81 2HG ARG 81 -4.216 1.986 -4.376 613 HD2 ARG 81 1HD ARG 81 -5.408 -0.011 -5.177 614 HD3 ARG 81 2HD ARG 81 -5.739 -0.469 -3.507 615 HE ARG 81 HE ARG 81 -6.665 2.165 -4.206 616 HH11 ARG 81 1HH1 ARG 81 -7.430 -1.231 -4.151 617 HH12 ARG 81 2HH1 ARG 81 -9.145 -0.977 -4.153 618 HH21 ARG 81 1HH2 ARG 81 -8.920 2.512 -4.209 619 HH22 ARG 81 2HH2 ARG 81 -9.990 1.152 -4.186 620 H VAL 82 H VAL 82 0.000 0.480 -4.265 621 HA VAL 82 HA VAL 82 0.248 3.323 -4.324 622 HB VAL 82 HB VAL 82 2.281 1.132 -3.930 623 HG11 VAL 82 1HG1 VAL 82 2.707 4.106 -3.671 624 HG12 VAL 82 2HG1 VAL 82 3.882 2.844 -3.301 625 HG13 VAL 82 3HG1 VAL 82 3.346 3.092 -4.964 626 HG21 VAL 82 1HG2 VAL 82 0.989 1.196 -2.018 627 HG22 VAL 82 2HG2 VAL 82 2.283 2.324 -1.613 628 HG23 VAL 82 3HG2 VAL 82 0.713 2.934 -2.135 629 H LYS 83 H LYS 83 1.156 0.707 -6.478 630 HA LYS 83 HA LYS 83 2.762 2.352 -8.196 631 HB2 LYS 83 1HB LYS 83 1.709 -0.453 -8.322 632 HB3 LYS 83 2HB LYS 83 2.407 0.288 -9.756 633 HG2 LYS 83 1HG LYS 83 4.523 0.401 -8.829 634 HG3 LYS 83 2HG LYS 83 3.913 0.292 -7.176 635 HD2 LYS 83 1HD LYS 83 4.918 -1.800 -7.665 636 HD3 LYS 83 2HD LYS 83 3.173 -2.055 -7.730 637 HE2 LYS 83 1HE LYS 83 3.236 -1.875 -10.166 638 HE3 LYS 83 2HE LYS 83 4.977 -1.599 -10.106 639 HZ1 LYS 83 1HZ LYS 83 3.520 -4.059 -9.973 640 HZ2 LYS 83 2HZ LYS 83 4.630 -3.907 -8.706 641 HZ3 LYS 83 3HZ LYS 83 5.156 -3.793 -10.310 642 H GLU 84 H GLU 84 -0.576 1.263 -8.118 643 HA GLU 84 HA GLU 84 -1.177 2.290 -10.743 644 HB2 GLU 84 1HB GLU 84 -2.692 0.922 -8.577 645 HB3 GLU 84 2HB GLU 84 -3.608 1.895 -9.718 646 HG2 GLU 84 1HG GLU 84 -2.237 0.539 -11.493 647 HG3 GLU 84 2HG GLU 84 -2.072 -0.610 -10.166 648 H LEU 85 H LEU 85 -1.728 3.286 -7.396 649 HA LEU 85 HA LEU 85 -3.345 5.518 -7.929 650 HB2 LEU 85 1HB LEU 85 -1.508 4.820 -5.660 651 HB3 LEU 85 2HB LEU 85 -2.415 6.330 -5.689 652 HG LEU 85 HG LEU 85 -3.775 3.658 -5.899 653 HD11 LEU 85 1HD1 LEU 85 -3.115 5.191 -3.388 654 HD12 LEU 85 2HD1 LEU 85 -2.465 3.620 -3.854 655 HD13 LEU 85 3HD1 LEU 85 -4.181 3.790 -3.487 656 HD21 LEU 85 1HD2 LEU 85 -4.774 6.306 -4.868 657 HD22 LEU 85 2HD2 LEU 85 -5.718 4.860 -5.226 658 HD23 LEU 85 3HD2 LEU 85 -4.965 5.769 -6.536 659 H GLN 86 H GLN 86 0.153 5.395 -7.233 660 HA GLN 86 HA GLN 86 0.719 8.077 -7.652 661 HB2 GLN 86 1HB GLN 86 3.004 7.453 -7.839 662 HB3 GLN 86 2HB GLN 86 2.266 6.309 -6.727 663 HG2 GLN 86 1HG GLN 86 2.144 4.638 -8.468 664 HG3 GLN 86 2HG GLN 86 2.778 5.786 -9.646 665 HE21 GLN 86 1HE2 GLN 86 3.763 5.097 -6.318 666 HE22 GLN 86 2HE2 GLN 86 5.387 4.654 -6.705 667 H ALA 87 H ALA 87 0.523 5.434 -9.985 668 HA ALA 87 HA ALA 87 1.532 6.718 -12.234 669 HB1 ALA 87 1HB ALA 87 -0.789 4.956 -12.683 670 HB2 ALA 87 2HB ALA 87 0.829 4.906 -13.381 671 HB3 ALA 87 3HB ALA 87 0.546 4.260 -11.765 672 H GLU 88 H GLU 88 -1.398 7.269 -10.528 673 HA GLU 88 HA GLU 88 -2.655 8.651 -12.765 674 HB2 GLU 88 1HB GLU 88 -3.602 8.199 -9.929 675 HB3 GLU 88 2HB GLU 88 -4.540 8.983 -11.193 676 HG2 GLU 88 1HG GLU 88 -4.032 6.728 -12.471 677 HG3 GLU 88 2HG GLU 88 -3.867 6.119 -10.826 678 H GLN 89 H GLN 89 -2.311 9.569 -9.344 679 HA GLN 89 HA GLN 89 -2.563 12.254 -9.540 680 HB2 GLN 89 1HB GLN 89 -1.059 12.448 -7.568 681 HB3 GLN 89 2HB GLN 89 -2.282 11.195 -7.396 682 HG2 GLN 89 1HG GLN 89 -0.764 9.502 -7.458 683 HG3 GLN 89 2HG GLN 89 0.366 10.404 -8.467 684 HE21 GLN 89 1HE2 GLN 89 2.154 10.087 -7.225 685 HE22 GLN 89 2HE2 GLN 89 2.346 10.745 -5.639 686 H GLU 90 H GLU 90 0.137 10.359 -10.623 687 HA GLU 90 HA GLU 90 1.862 12.652 -10.993 688 HB2 GLU 90 1HB GLU 90 2.527 10.175 -10.464 689 HB3 GLU 90 2HB GLU 90 2.391 9.964 -12.203 690 HG2 GLU 90 1HG GLU 90 4.652 10.409 -11.800 691 HG3 GLU 90 2HG GLU 90 3.986 11.914 -12.429 692 H ASP 91 H ASP 91 -0.086 10.485 -12.985 693 HA ASP 91 HA ASP 91 0.673 11.169 -15.518 694 HB2 ASP 91 1HB ASP 91 -1.110 9.515 -14.874 695 HB3 ASP 91 2HB ASP 91 -2.212 10.874 -14.670 696 H ARG 92 H ARG 92 -1.406 13.009 -13.341 697 HA ARG 92 HA ARG 92 -1.996 15.037 -15.285 698 HB2 ARG 92 1HB ARG 92 -3.054 16.221 -13.422 699 HB3 ARG 92 2HB ARG 92 -3.560 14.537 -13.467 700 HG2 ARG 92 1HG ARG 92 -2.289 13.982 -11.588 701 HG3 ARG 92 2HG ARG 92 -1.315 15.449 -11.705 702 HD2 ARG 92 1HD ARG 92 -2.775 15.870 -9.929 703 HD3 ARG 92 2HD ARG 92 -3.504 16.710 -11.298 704 HE ARG 92 HE ARG 92 -4.557 14.101 -11.104 705 HH11 ARG 92 1HH1 ARG 92 -4.657 17.196 -9.513 706 HH12 ARG 92 2HH1 ARG 92 -6.257 16.968 -8.886 707 HH21 ARG 92 1HH2 ARG 92 -6.663 13.790 -10.284 708 HH22 ARG 92 2HH2 ARG 92 -7.396 15.029 -9.324 709 H ALA 93 H ALA 93 0.414 14.531 -12.814 710 HA ALA 93 HA ALA 93 1.353 17.221 -12.708 711 HB1 ALA 93 1HB ALA 93 1.955 14.735 -11.423 712 HB2 ALA 93 2HB ALA 93 3.449 15.502 -11.965 713 HB3 ALA 93 3HB ALA 93 2.341 16.378 -10.909 714 H LEU 94 H LEU 94 2.123 14.414 -14.661 715 HA LEU 94 HA LEU 94 4.554 15.287 -15.748 716 HB2 LEU 94 1HB LEU 94 4.416 13.487 -17.121 717 HB3 LEU 94 2HB LEU 94 3.214 13.017 -15.923 718 HG LEU 94 HG LEU 94 1.501 14.069 -17.528 719 HD11 LEU 94 1HD1 LEU 94 2.120 14.773 -19.552 720 HD12 LEU 94 2HD1 LEU 94 3.201 13.401 -19.797 721 HD13 LEU 94 3HD1 LEU 94 3.759 14.813 -18.901 722 HD21 LEU 94 1HD2 LEU 94 2.227 11.828 -19.060 723 HD22 LEU 94 2HD2 LEU 94 1.049 11.909 -17.750 724 HD23 LEU 94 3HD2 LEU 94 2.726 11.482 -17.404 725 H ARG 95 H ARG 95 1.215 15.854 -16.752 726 HA ARG 95 HA ARG 95 1.399 16.936 -19.205 727 HB2 ARG 95 1HB ARG 95 -0.143 18.059 -16.861 728 HB3 ARG 95 2HB ARG 95 -0.389 18.559 -18.529 729 HG2 ARG 95 1HG ARG 95 -1.083 16.326 -19.136 730 HG3 ARG 95 2HG ARG 95 -0.741 15.750 -17.504 731 HD2 ARG 95 1HD ARG 95 -3.104 16.110 -17.707 732 HD3 ARG 95 2HD ARG 95 -2.436 17.349 -16.646 733 HE ARG 95 HE ARG 95 -2.462 18.406 -19.210 734 HH11 ARG 95 1HH1 ARG 95 -4.759 17.258 -16.860 735 HH12 ARG 95 2HH1 ARG 95 -6.028 18.309 -17.394 736 HH21 ARG 95 1HH2 ARG 95 -4.125 19.796 -19.923 737 HH22 ARG 95 2HH2 ARG 95 -5.667 19.752 -19.138 738 H SER 96 H SER 96 2.375 18.591 -20.194 739 HA SER 96 HA SER 96 3.670 20.426 -20.554 740 HB2 SER 96 1HB SER 96 2.259 21.194 -18.014 741 HB3 SER 96 2HB SER 96 3.494 22.247 -18.703 742 HG SER 96 HG SER 96 2.259 22.565 -20.471 743 H PHE 97 H PHE 97 4.903 18.162 -19.444 744 HA PHE 97 HA PHE 97 6.540 18.692 -17.229 745 HB2 PHE 97 1HB PHE 97 6.073 16.462 -18.497 746 HB3 PHE 97 2HB PHE 97 7.447 16.938 -19.489 747 HD1 PHE 97 2HD PHE 97 6.416 16.282 -15.988 748 HD2 PHE 97 1HD PHE 97 9.628 16.546 -18.768 749 HE1 PHE 97 2HE PHE 97 7.948 15.354 -14.301 750 HE2 PHE 97 1HE PHE 97 11.165 15.618 -17.086 751 HZ PHE 97 HZ PHE 97 10.326 15.022 -14.849 752 H LYS 98 H LYS 98 7.435 18.726 -20.683 753 HA LYS 98 HA LYS 98 9.554 20.661 -20.012 754 HB2 LYS 98 1HB LYS 98 9.453 18.399 -21.973 755 HB3 LYS 98 2HB LYS 98 10.491 19.782 -22.299 756 HG2 LYS 98 1HG LYS 98 10.620 18.287 -19.703 757 HG3 LYS 98 2HG LYS 98 11.529 17.775 -21.127 758 HD2 LYS 98 1HD LYS 98 12.799 19.754 -21.159 759 HD3 LYS 98 2HD LYS 98 11.690 20.581 -20.062 760 HE2 LYS 98 1HE LYS 98 13.353 20.067 -18.591 761 HE3 LYS 98 2HE LYS 98 12.388 18.599 -18.452 762 HZ1 LYS 98 1HZ LYS 98 13.855 17.482 -19.961 763 HZ2 LYS 98 2HZ LYS 98 14.783 18.170 -18.725 764 HZ3 LYS 98 3HZ LYS 98 14.731 18.900 -20.250 765 H SER 99 H SER 99 10.167 22.076 -21.918 766 HA SER 99 HA SER 99 7.884 23.540 -22.738 767 HB2 SER 99 1HB SER 99 9.547 24.844 -24.110 768 HB3 SER 99 2HB SER 99 9.950 24.719 -22.398 769 HG SER 99 HG SER 99 11.547 23.319 -22.858 770 H GLY 100 H GLY 100 10.209 21.548 -24.564 771 HA2 GLY 100 1HA GLY 100 8.369 21.589 -26.853 772 HA3 GLY 100 2HA GLY 100 10.060 21.113 -26.905 773 HA PRO 101 HA PRO 101 6.998 17.463 -26.267 774 HB2 PRO 101 1HB PRO 101 6.560 16.727 -28.844 775 HB3 PRO 101 2HB PRO 101 5.512 17.855 -27.976 776 HG2 PRO 101 1HG PRO 101 7.708 18.429 -29.929 777 HG3 PRO 101 2HG PRO 101 6.102 19.171 -29.800 778 HD2 PRO 101 1HD PRO 101 8.338 20.359 -28.840 779 HD3 PRO 101 2HD PRO 101 6.747 20.564 -28.081 780 H SER 102 H SER 102 7.579 15.261 -26.566 781 HA SER 102 HA SER 102 9.705 14.403 -28.217 782 HB2 SER 102 1HB SER 102 10.935 15.795 -26.472 783 HB3 SER 102 2HB SER 102 10.469 14.563 -25.299 784 HG SER 102 HG SER 102 12.588 14.331 -26.394 785 H SER 103 H SER 103 9.098 12.395 -28.635 786 HA SER 103 HA SER 103 8.165 10.708 -26.410 787 HB2 SER 103 1HB SER 103 6.482 9.709 -27.834 788 HB3 SER 103 2HB SER 103 6.267 11.459 -27.855 789 HG SER 103 HG SER 103 7.433 11.468 -29.849 790 H GLY 104 H GLY 104 8.213 8.323 -27.049 791 HA2 GLY 104 1HA GLY 104 9.978 7.471 -29.111 792 HA3 GLY 104 2HA GLY 104 10.814 7.528 -27.566
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